0 B11R1.91 C=C(C)CCN1CCCOC1 2230a_100000131196_100000730704 [0,0,0,0,0,0|4,0,0]=4 1 B11R1.91 C=C(C)CCN1CCCOC1 269982a_100000131196_100000730704 [0,0,0,0,0,0|4,0,0]=4 2 B11R1.91 C=C(C)CCN1CCCOC1 34a_100000131196_100000730704 [0,0,0,0,0,0|4,0,0]=4 3 B11R1.91 C=C(C)CCN1CCOCC1 2230a_100015191051_100000730704 [0,0,0,0,0,0|4,0,0]=4 4 B11R1.91 C=C(C)CCN1CCOCC1 269982a_100015191051_100000730704 [0,0,0,0,0,0|4,0,0]=4 5 B11R1.91 C=C(C)CCN1CCOCC1 34a_100015191051_100000730704 [0,0,0,0,0,0|4,0,0]=4 6 B11R1.91 C=C(C)CCN1CCSCC1 2230a_100000737611_100000730704 [0,0,0,0,0,0|4,0,0]=4 7 B11R1.91 C=C(C)CCN1CCSCC1 269982a_100000737611_100000730704 [0,0,0,0,0,0|4,0,0]=4 8 B11R1.91 C=C(C)CNC1CCCCC1 2230a_100000182618_100000748629 [0,0,0,0,0,0|3,0,0]=3 9 B11R1.91 C=C(C)CNC1CCCCC1 34a_100000182618_100000748629 [0,0,0,0,0,0|3,0,0]=3 10 B11R1.91 C=C(C)CNC1CCCOC1 2230a_100000719290_100000748629 [0,0,0,0,0,0|4,0,0]=4 11 B11R1.91 C=C(C)CNC1CCCOC1 34a_100000719290_100000748629 [0,0,0,0,0,0|4,0,0]=4 12 B11R1.91 C=C(C)CNC1CCOCC1 2230a_100000741149_100000748629 [0,0,0,0,0,0|4,0,0]=4 13 B11R1.91 C=C(C)CNC1CCOCC1 34a_100000741149_100000748629 [0,0,0,0,0,0|4,0,0]=4 14 B11R1.91 C=C(C)CNC1CCSCC1 2230a_100000748639_100000748629 [0,0,0,0,0,0|4,0,0]=4 15 B11R1.91 C=C(C)CNC1CCSCC1 34a_100000748639_100000748629 [0,0,0,0,0,0|4,0,0]=4 16 B11R1.91 C=C(C)COC1CCCCC1 34a_100000210231_100000748629 [0,0,0,0,0,0|3,0,0]=3 17 B11R1.91 C=C(C)COC1CCCCC1 34a_100000210245_100000210327 [0,0,0,0,0,0|3,0,0]=3 18 B11R1.91 C=C(C)COC1CCCCC1 7a_100000210231_100000748629 [0,0,0,0,0,0|3,0,0]=3 19 B11R1.91 C=C(C)COC1CCCCO1 34a_100000033831_100000748629 [0,0,0,0,0,0|4,0,0]=4 20 B11R1.91 C=C(C)COC1CCCOC1 34a_100000210245_100000693364 [0,0,0,0,0,0|4,0,0]=4 21 B11R1.91 C=C(C)COC1CCCOC1 34a_100000754041_100000748629 [0,0,0,0,0,0|4,0,0]=4 22 B11R1.91 C=C(C)COC1CCCSC1 7a_100015962668_100000748629 [0,0,0,0,0,0|4,0,0]=4 23 B11R1.91 C=C(C)COC1CCOCC1 34a_100000744328_100000748629 [0,0,0,0,0,0|4,0,0]=4 24 B11R1.91 C=C(C)COC1CCSCC1 34a_100000210245_100000069128 [0,0,0,0,0,0|4,0,0]=4 25 B11R1.91 C=C(C)COC1CCSCC1 34a_100000731022_100000748629 [0,0,0,0,0,0|4,0,0]=4 26 B11R1.91 C=C(C)COC1CCSCC1 7a_100000731022_100000748629 [0,0,0,0,0,0|4,0,0]=4 27 B11R1.91 C=C(C)CSC1CCCCC1 62a_100000210327_100000211660 [0,0,0,0,0,0|3,0,0]=3 28 B11R1.91 C=C(C)CSC1CCCCC1 62a_100000748629_100000210327 [0,0,0,0,0,0|3,0,0]=3 29 B11R1.91 C=C(C)CSC1CCCOC1 62a_100000748629_100000693364 [0,0,0,0,0,0|4,0,0]=4 30 B11R1.91 C=C(C)CSC1CCOCC1 62a_100000748629_100011324220 [0,0,0,0,0,0|4,0,0]=4 31 B11R1.91 C=C(C)CSC1CCSCC1 62a_100000748629_100000069128 [0,0,0,0,0,0|4,0,0]=4 32 B11R1.91 C=C(F)CNC1CCCCC1 2230a_100000182618_100009893438 [0,0,0,0,0,0|3,0,0]=3 33 B11R1.91 C=C(F)CNC1CCCCC1 34a_100000182618_100009893438 [0,0,0,0,0,0|3,0,0]=3 34 B11R1.91 C=C(F)CNC1CCCOC1 2230a_100000719290_100009893438 [0,0,0,0,0,0|4,0,0]=4 35 B11R1.91 C=C(F)CNC1CCCOC1 34a_100000719290_100009893438 [0,0,0,0,0,0|4,0,0]=4 36 B11R1.91 C=C(F)CNC1CCOCC1 2230a_100000741149_100009893438 [0,0,0,0,0,0|4,0,0]=4 37 B11R1.91 C=C(F)CNC1CCOCC1 34a_100000741149_100009893438 [0,0,0,0,0,0|4,0,0]=4 38 B11R1.91 C=C(F)CNC1CCSCC1 2230a_100000748639_100009893438 [0,0,0,0,0,0|4,0,0]=4 39 B11R1.91 C=C(F)CNC1CCSCC1 34a_100000748639_100009893438 [0,0,0,0,0,0|4,0,0]=4 40 B11R1.91 C=C(F)COC1CCCCC1 34a_100000210231_100009893438 [0,0,0,0,0,0|3,0,0]=3 41 B11R1.91 C=C(F)COC1CCCCC1 34a_200010262243_100000210327 [0,0,0,0,0,0|3,0,0]=3 42 B11R1.91 C=C(F)COC1CCCCC1 7a_100000210231_100000042424 [0,0,0,0,0,0|3,0,0]=3 43 B11R1.91 C=C(F)COC1CCCCO1 34a_100000033831_100009893438 [0,0,0,0,0,0|4,0,0]=4 44 B11R1.91 C=C(F)COC1CCCOC1 34a_100000754041_100009893438 [0,0,0,0,0,0|4,0,0]=4 45 B11R1.91 C=C(F)COC1CCCOC1 34a_200010262243_100000693364 [0,0,0,0,0,0|4,0,0]=4 46 B11R1.91 C=C(F)COC1CCCSC1 7a_100015962668_100000042424 [0,0,0,0,0,0|4,0,0]=4 47 B11R1.91 C=C(F)COC1CCOCC1 34a_100000744328_100009893438 [0,0,0,0,0,0|4,0,0]=4 48 B11R1.91 C=C(F)COC1CCSCC1 34a_100000731022_100009893438 [0,0,0,0,0,0|4,0,0]=4 49 B11R1.91 C=C(F)COC1CCSCC1 34a_200010262243_100000069128 [0,0,0,0,0,0|4,0,0]=4 50 B11R1.91 C=C(F)COC1CCSCC1 7a_100000731022_100000042424 [0,0,0,0,0,0|4,0,0]=4 51 B11R1.91 C=C(F)CSC1CCCCC1 62a_100000042424_100000210327 [0,0,0,0,0,0|3,0,0]=3 52 B11R1.91 C=C(F)CSC1CCCCC1 62a_100000210327_100000042424 [0,0,0,0,0,0|3,0,0]=3 53 B11R1.91 C=C(F)CSC1CCCOC1 62a_100000042424_100000693364 [0,0,0,0,0,0|4,0,0]=4 54 B11R1.91 C=C(F)CSC1CCOCC1 62a_100000042424_100011324220 [0,0,0,0,0,0|4,0,0]=4 55 B11R1.91 C=C(F)CSC1CCSCC1 62a_100000042424_100000069128 [0,0,0,0,0,0|4,0,0]=4 56 B11R1.91 CC(=O)C=CC1CCCCC1 1458a_100102566626_200000210301 [0,0,0,0,0,0|1,0,2]=3 57 B11R1.91 CC(=O)CCC1CCCCC1 1458a_100000070787_100011273959 [0,0,0,0,0,0|1,0,0]=1 58 B11R1.91 CC(=O)CCC1CCCCC1 1458a_100000211375_200000210301 [0,0,0,0,0,0|1,0,0]=1 59 B11R1.91 CC(=O)CCC1CCOCC1 1458a_100000070787_100011934994 [0,0,0,0,0,0|2,0,0]=2 60 B11R1.91 CC(=O)CCC1OCCCO1 1458a_100000070787_100000764188 [0,0,0,0,0,0|3,0,0]=3 61 B11R1.91 CC(=O)CCN1CC=CCC1 269982a_100000698166_100000053229 [0,0,0,0,0,0|2,0,2]=4 62 B11R1.91 CC(=O)CCN1CCCCC1 1458a_100000070787_100000739454 [0,0,0,0,0,0|2,0,0]=2 63 B11R1.91 CC(=O)CCN1CCCCC1 1458a_100000743487_200000210301 [0,0,0,0,0,0|2,0,0]=2 64 B11R1.91 CC(=O)CCN1CCCCO1 1458a_200015184090_200000210301 [0,0,0,0,0,0|3,0,0]=3 65 B11R1.91 CC(=O)CCN1CCCOC1 269982a_100000131196_100000053229 [0,0,0,0,0,0|3,0,0]=3 66 B11R1.91 CC(=O)CCN1CCOCC1 1458a_100000070787_100000753993 [0,0,0,0,0,0|3,0,0]=3 67 B11R1.91 CC(=O)CCN1CCOCC1 1458a_100000749337_200000210301 [0,0,0,0,0,0|3,0,0]=3 68 B11R1.91 CC(=O)CCN1CCOCC1 269982a_100015191051_100000053229 [0,0,0,0,0,0|3,0,0]=3 69 B11R1.91 CC(=O)CCN1CCSCC1 269982a_100000737611_100000053229 [0,0,0,0,0,0|3,0,0]=3 70 B11R1.91 CC(=O)CNC1=NCCCC1 1458a_100000118790_200000210301 [0,0,0,0,0,0|3,0,1]=4 71 B11R1.91 CC(=O)COC1CCCCC1 1458a_100000070787_100011935260 [0,0,0,0,0,0|2,0,0]=2 72 B11R1.91 CC(=O)COC1CCCCC1 1458a_100011223303_200000210301 [0,0,0,0,0,0|2,0,0]=2 73 B11R1.91 CC(=O)COC1CCCCC1 34a_100000211253_100000210327 [0,0,0,0,0,0|2,0,0]=2 74 B11R1.91 CC(=O)COC1CCCOC1 34a_100000211253_100000693364 [0,0,0,0,0,0|3,0,0]=3 75 B11R1.91 CC(=O)COC1CCSCC1 34a_100000211253_100000069128 [0,0,0,0,0,0|3,0,0]=3 76 B11R1.91 CC(=O)NCC1CCCCC1 11a_100000210473_100015343762 [0,0,0,0,0,0|2,0,0]=2 77 B11R1.91 CC(=O)NCC1CCCCC1 1626a_100000210473_100015343762 [0,0,0,0,0,0|2,0,0]=2 78 B11R1.91 CC(=O)NCC1CCCCC1 240690a_100000210473_100015343762 [0,0,0,0,0,0|2,0,0]=2 79 B11R1.91 CC(=O)NCC1CCCCC1 527a_100000210473_100103153847 [0,0,0,0,0,0|2,0,0]=2 80 B11R1.91 CC(=O)NCC1CCCCO1 11a_100000174945_100015343762 [0,0,0,0,0,0|3,0,0]=3 81 B11R1.91 CC(=O)NCC1CCCCO1 1626a_100000174945_100015343762 [0,0,0,0,0,0|3,0,0]=3 82 B11R1.91 CC(=O)NCC1CCCCO1 240690a_100000174945_100015343762 [0,0,0,0,0,0|3,0,0]=3 83 B11R1.91 CC(=O)NCC1CCCCO1 527a_100000174945_100103153847 [0,0,0,0,0,0|3,0,0]=3 84 B11R1.91 CC(=O)NCC1CCCOC1 11a_100000720124_100015343762 [0,0,0,0,0,0|3,0,0]=3 85 B11R1.91 CC(=O)NCC1CCCOC1 1626a_100000720124_100015343762 [0,0,0,0,0,0|3,0,0]=3 86 B11R1.91 CC(=O)NCC1CCCOC1 240690a_100000720124_100015343762 [0,0,0,0,0,0|3,0,0]=3 87 B11R1.91 CC(=O)NCC1CCCOC1 527a_100000720124_100103153847 [0,0,0,0,0,0|3,0,0]=3 88 B11R1.91 CC(=O)NCC1CCOCC1 11a_100000746373_100015343762 [0,0,0,0,0,0|3,0,0]=3 89 B11R1.91 CC(=O)NCC1CCOCC1 1626a_100000746373_100015343762 [0,0,0,0,0,0|3,0,0]=3 90 B11R1.91 CC(=O)NCC1CCOCC1 240690a_100000746373_100015343762 [0,0,0,0,0,0|3,0,0]=3 91 B11R1.91 CC(=O)NCC1CCOCC1 527a_100000746373_100103153847 [0,0,0,0,0,0|3,0,0]=3 92 B11R1.91 CC(=O)NCC1CCSCC1 11a_100015188806_100015343762 [0,0,0,0,0,0|3,0,0]=3 93 B11R1.91 CC(=O)NCC1CCSCC1 240690a_100015188806_100015343762 [0,0,0,0,0,0|3,0,0]=3 94 B11R1.91 CC(=O)NCC1CCSCC1 527a_100015188806_100103153847 [0,0,0,0,0,0|3,0,0]=3 95 B11R1.91 CC(=O)NC[C@H]1COCCO1 11a_100010981119_100015343762 [0,0,0,0,0,0|4,0,0]=4 96 B11R1.91 CC(=O)NC[C@H]1COCCO1 1626a_100010981119_100015343762 [0,0,0,0,0,0|4,0,0]=4 97 B11R1.91 CC(=O)NC[C@H]1COCCO1 240690a_100010981119_100015343762 [0,0,0,0,0,0|4,0,0]=4 98 B11R1.91 CC(=O)NC[C@H]1COCCO1 527a_100010981119_100103153847 [0,0,0,0,0,0|4,0,0]=4 99 B11R1.91 CC(=O)NN=C1CCCCC1 4a_100000189765_100000210434 [0,0,0,0,0,0|3,0,1]=4 100 B11R1.91 CC(=O)NNC1CCCCC1 22a_100000709804_100000070787 [0,0,0,0,0,0|3,0,0]=3 101 B11R1.91 CC(=O)NNC1CCOCC1 22a_100000687383_100000070787 [0,0,0,0,0,0|4,0,0]=4 102 B11R1.91 CC(=O)OCN1CCCOC1 269982a_100000131196_100000076356 [0,0,0,0,0,0|4,0,0]=4 103 B11R1.91 CC(=O)OCN1CCCOC1 34a_100000131196_100009813279 [0,0,0,0,0,0|4,0,0]=4 104 B11R1.91 CC(=O)OCN1CCOCC1 269982a_100015191051_100000076356 [0,0,0,0,0,0|4,0,0]=4 105 B11R1.91 CC(=O)OCN1CCOCC1 34a_100015191051_100009813279 [0,0,0,0,0,0|4,0,0]=4 106 B11R1.91 CC(=O)OCN1CCSCC1 269982a_100000737611_100000076356 [0,0,0,0,0,0|4,0,0]=4 107 B11R1.91 CC(Br)COC1CCCCC1 34a_100012180447_100000210327 [0,0,0,0,0,0|3,0,1]=4 108 B11R1.91 CC(C)CNC1CCCCC1 2230a_100000182618_100000210760 [0,0,0,0,0,0|3,0,1]=4 109 B11R1.91 CC(C)CNC1CCCCC1 270004a_100000182618_100000210432 [0,0,0,0,0,0|3,0,1]=4 110 B11R1.91 CC(C)CNC1CCCCC1 270004a_100000210953_100000210434 [0,0,0,0,0,0|3,0,1]=4 111 B11R1.91 CC(C)CNC1CCCCC1 34a_100000182618_100000210624 [0,0,0,0,0,0|3,0,1]=4 112 B11R1.91 CC(C)CNC1CCCCC1 34a_100000210953_100000210327 [0,0,0,0,0,0|3,0,1]=4 113 B11R1.91 CC(C)COC1CCCCC1 34a_100000210231_100000210624 [0,0,0,0,0,0|3,0,1]=4 114 B11R1.91 CC(C)COC1CCCCC1 34a_100000210257_100000210327 [0,0,0,0,0,0|3,0,1]=4 115 B11R1.91 CC(C)COC1CCCCC1 7a_100000210231_100000210760 [0,0,0,0,0,0|3,0,1]=4 116 B11R1.91 CC(C)CSC1CCCCC1 62a_100000210327_100000210760 [0,0,0,0,0,0|3,0,1]=4 117 B11R1.91 CC(C)CSC1CCCCC1 62a_100000210624_100000210327 [0,0,0,0,0,0|3,0,1]=4 118 B11R1.91 CC(C)NCC1CCCCC1 2230a_100000210473_100000210206 [0,0,0,0,0,0|3,0,1]=4 119 B11R1.91 CC(C)NCC1CCCCC1 2230a_100138425928_100000211423 [0,0,0,0,0,0|3,0,1]=4 120 B11R1.91 CC(C)NCC1CCCCC1 34a_100000210473_100000210206 [0,0,0,0,0,0|3,0,1]=4 121 B11R1.91 CC(C)NCC1CCCCC1 34a_100138425928_100000211423 [0,0,0,0,0,0|3,0,1]=4 122 B11R1.91 CC(C)OCC1CCCCC1 34a_100000212181_100000210206 [0,0,0,0,0,0|3,0,1]=4 123 B11R1.91 CC(C)OCC1CCCCC1 34a_100000212225_100000211423 [0,0,0,0,0,0|3,0,1]=4 124 B11R1.91 CC(C)OCC1CCCCC1 7a_100000212181_100000210206 [0,0,0,0,0,0|3,0,1]=4 125 B11R1.91 CC(C)SCC1CCCCC1 62a_100000210206_100000211423 [0,0,0,0,0,0|3,0,1]=4 126 B11R1.91 CC(C)SCC1CCCCC1 62a_100000211423_100000210206 [0,0,0,0,0,0|3,0,1]=4 127 B11R1.91 CC(F)COC1CCCCC1 34a_100015925927_100000210327 [0,0,0,0,0,0|3,0,1]=4 128 B11R1.91 CC(O)CCN1CCCOC1 2230a_100000131196_100012276601 [0,0,0,0,0,0|3,0,1]=4 129 B11R1.91 CC(O)CCN1CCCOC1 269982a_100000131196_100012276601 [0,0,0,0,0,0|3,0,1]=4 130 B11R1.91 CC(O)CCN1CCCOC1 34a_100000131196_100012276601 [0,0,0,0,0,0|3,0,1]=4 131 B11R1.91 CC(O)CCN1CCOCC1 2230a_100015191051_100012276601 [0,0,0,0,0,0|3,0,1]=4 132 B11R1.91 CC(O)CCN1CCOCC1 269982a_100015191051_100012276601 [0,0,0,0,0,0|3,0,1]=4 133 B11R1.91 CC(O)CCN1CCOCC1 34a_100015191051_100012276601 [0,0,0,0,0,0|3,0,1]=4 134 B11R1.91 CC(O)CCN1CCSCC1 2230a_100000737611_100012276601 [0,0,0,0,0,0|3,0,1]=4 135 B11R1.91 CC(O)CCN1CCSCC1 269982a_100000737611_100012276601 [0,0,0,0,0,0|3,0,1]=4 136 B11R1.91 CC(O)CNC1CCCCC1 2230a_100000182618_100011218427 [0,0,0,0,0,0|2,0,1]=3 137 B11R1.91 CC(O)CNC1CCCCC1 270004a_100000210904_100000210434 [0,0,0,0,0,0|2,0,1]=3 138 B11R1.91 CC(O)CNC1CCCCC1 34a_100000182618_100011218427 [0,0,0,0,0,0|2,0,1]=3 139 B11R1.91 CC(O)CNC1CCCCC1 34a_100000210904_100000210327 [0,0,0,0,0,0|2,0,1]=3 140 B11R1.91 CC(O)CNC1CCCOC1 2230a_100000719290_100011218427 [0,0,0,0,0,0|3,0,1]=4 141 B11R1.91 CC(O)CNC1CCCOC1 270004a_100000210904_100000753404 [0,0,0,0,0,0|3,0,1]=4 142 B11R1.91 CC(O)CNC1CCCOC1 34a_100000210904_100000693364 [0,0,0,0,0,0|3,0,1]=4 143 B11R1.91 CC(O)CNC1CCCOC1 34a_100000719290_100011218427 [0,0,0,0,0,0|3,0,1]=4 144 B11R1.91 CC(O)CNC1CCCSC1 270004a_100000210904_100000057913 [0,0,0,0,0,0|3,0,1]=4 145 B11R1.91 CC(O)CNC1CCNCC1 270004a_100000210904_100015192401 [0,0,0,0,0,0|3,0,1]=4 146 B11R1.91 CC(O)CNC1CCOCC1 2230a_100000741149_100011218427 [0,0,0,0,0,0|3,0,1]=4 147 B11R1.91 CC(O)CNC1CCOCC1 270004a_100000210904_100011217826 [0,0,0,0,0,0|3,0,1]=4 148 B11R1.91 CC(O)CNC1CCOCC1 34a_100000741149_100011218427 [0,0,0,0,0,0|3,0,1]=4 149 B11R1.91 CC(O)CNC1CCSCC1 2230a_100000748639_100011218427 [0,0,0,0,0,0|3,0,1]=4 150 B11R1.91 CC(O)CNC1CCSCC1 270004a_100000210904_100000203788 [0,0,0,0,0,0|3,0,1]=4 151 B11R1.91 CC(O)CNC1CCSCC1 34a_100000210904_100000069128 [0,0,0,0,0,0|3,0,1]=4 152 B11R1.91 CC(O)CNC1CCSCC1 34a_100000748639_100011218427 [0,0,0,0,0,0|3,0,1]=4 153 B11R1.91 CC(O)COC1CCCCC1 34a_100000210231_100011218427 [0,0,0,0,0,0|2,0,1]=3 154 B11R1.91 CC(O)COC1CCCCC1 7a_100000210231_100011218427 [0,0,0,0,0,0|2,0,1]=3 155 B11R1.91 CC(O)COC1CCCCO1 34a_100000033831_100011218427 [0,0,0,0,0,0|3,0,1]=4 156 B11R1.91 CC(O)COC1CCCOC1 34a_100000754041_100011218427 [0,0,0,0,0,0|3,0,1]=4 157 B11R1.91 CC(O)COC1CCCSC1 7a_100015962668_100011218427 [0,0,0,0,0,0|3,0,1]=4 158 B11R1.91 CC(O)COC1CCOCC1 34a_100000744328_100011218427 [0,0,0,0,0,0|3,0,1]=4 159 B11R1.91 CC(O)COC1CCSCC1 34a_100000731022_100011218427 [0,0,0,0,0,0|3,0,1]=4 160 B11R1.91 CC(O)COC1CCSCC1 7a_100000731022_100011218427 [0,0,0,0,0,0|3,0,1]=4 161 B11R1.91 CC(O)CSC1CCCCC1 62a_100000210327_100011218427 [0,0,0,0,0,0|2,0,1]=3 162 B11R1.91 CC(O)CSC1CCCCC1 62a_100011218427_100000210327 [0,0,0,0,0,0|2,0,1]=3 163 B11R1.91 CC(O)CSC1CCCOC1 62a_100011218427_100000693364 [0,0,0,0,0,0|3,0,1]=4 164 B11R1.91 CC(O)CSC1CCOCC1 62a_100011218427_100011324220 [0,0,0,0,0,0|3,0,1]=4 165 B11R1.91 CC(O)CSC1CCSCC1 62a_100011218427_100000069128 [0,0,0,0,0,0|3,0,1]=4 166 B11R1.91 CN(C)CCC1CCCCC1 2230a_100102631434_100012355289 [0,0,0,0,0,0|3,0,0]=3 167 B11R1.91 CN(C)CCC1CCCCC1 269982a_100102631434_100011273959 [0,0,0,0,0,0|3,0,0]=3 168 B11R1.91 CN(C)CCC1CCCCC1 270004a_100102631434_100011713444 [0,0,0,0,0,0|3,0,0]=3 169 B11R1.91 CN(C)CCC1CCCCO1 2230a_100015183322_200000210301 [0,0,0,0,0,0|4,0,0]=4 170 B11R1.91 CN(C)CCC1CCCCO1 269982a_100015183322_200000210301 [0,0,0,0,0,0|4,0,0]=4 171 B11R1.91 CN(C)CCC1CCCCO1 34a_100015183322_200000210301 [0,0,0,0,0,0|4,0,0]=4 172 B11R1.91 CN(C)CCC1CCOCC1 2230a_100102631434_100011934994 [0,0,0,0,0,0|4,0,0]=4 173 B11R1.91 CN(C)CCC1CCOCC1 269982a_100102631434_100011934994 [0,0,0,0,0,0|4,0,0]=4 174 B11R1.91 CN(C)CCN1CCCCC1 2230a_100102631434_100000739454 [0,0,0,0,0,0|4,0,0]=4 175 B11R1.91 CN(C)CCN1CCCCC1 269982a_100102631434_100000739454 [0,0,0,0,0,0|4,0,0]=4 176 B11R1.91 CN(C)COC1CCCCC1 2230a_100102631434_100011935260 [0,0,0,0,0,0|4,0,0]=4 177 B11R1.91 CN(C)COC1CCCCC1 269982a_100102631434_100011935260 [0,0,0,0,0,0|4,0,0]=4 178 B11R1.91 CN([13CH3])CCC1CCCCO1 2230a_100015183322_200025704644 [0,0,0,0,0,0|4,0,0]=4 179 B11R1.91 CN([13CH3])CCC1CCCCO1 269982a_100015183322_200025704644 [0,0,0,0,0,0|4,0,0]=4 180 B11R1.91 CN([13CH3])CCC1CCCCO1 34a_100015183322_200025704644 [0,0,0,0,0,0|4,0,0]=4 181 B11R1.91 C[C@@H](Cl)COC1CCCCC1 34a_100016084084_100000210327 [0,0,0,0,0,0|3,0,1]=4 182 B11R1.91 C[C@@H](N)COC1CCCCC1 34a_100000737577_100000210327 [0,0,0,0,0,0|3,0,1]=4 183 B11R1.91 C[C@@H](O)CNC1CCCCC1 2230a_100000182618_100009817552 [0,0,0,0,0,0|2,0,1]=3 184 B11R1.91 C[C@@H](O)CNC1CCCCC1 34a_100000182618_100009817552 [0,0,0,0,0,0|2,0,1]=3 185 B11R1.91 C[C@@H](O)CNC1CCCOC1 2230a_100000719290_100009817552 [0,0,0,0,0,0|3,0,1]=4 186 B11R1.91 C[C@@H](O)CNC1CCCOC1 34a_100000719290_100009817552 [0,0,0,0,0,0|3,0,1]=4 187 B11R1.91 C[C@@H](O)CNC1CCOCC1 2230a_100000741149_100009817552 [0,0,0,0,0,0|3,0,1]=4 188 B11R1.91 C[C@@H](O)CNC1CCOCC1 34a_100000741149_100009817552 [0,0,0,0,0,0|3,0,1]=4 189 B11R1.91 C[C@@H](O)CNC1CCSCC1 2230a_100000748639_100009817552 [0,0,0,0,0,0|3,0,1]=4 190 B11R1.91 C[C@@H](O)CNC1CCSCC1 34a_100000748639_100009817552 [0,0,0,0,0,0|3,0,1]=4 191 B11R1.91 C[C@@H](O)COC1CCCCC1 34a_100000210231_100009817552 [0,0,0,0,0,0|2,0,1]=3 192 B11R1.91 C[C@@H](O)COC1CCCCC1 7a_100000210231_100009817552 [0,0,0,0,0,0|2,0,1]=3 193 B11R1.91 C[C@@H](O)COC1CCCCO1 34a_100000033831_100009817552 [0,0,0,0,0,0|3,0,1]=4 194 B11R1.91 C[C@@H](O)COC1CCCOC1 34a_100000754041_100009817552 [0,0,0,0,0,0|3,0,1]=4 195 B11R1.91 C[C@@H](O)COC1CCCSC1 7a_100015962668_100009817552 [0,0,0,0,0,0|3,0,1]=4 196 B11R1.91 C[C@@H](O)COC1CCOCC1 34a_100000744328_100009817552 [0,0,0,0,0,0|3,0,1]=4 197 B11R1.91 C[C@@H](O)COC1CCSCC1 34a_100000731022_100009817552 [0,0,0,0,0,0|3,0,1]=4 198 B11R1.91 C[C@@H](O)COC1CCSCC1 7a_100000731022_100009817552 [0,0,0,0,0,0|3,0,1]=4 199 B11R1.91 C[C@@H](O)CSC1CCCCC1 62a_100000210327_100009817552 [0,0,0,0,0,0|2,0,1]=3 200 B11R1.91 C[C@@H](O)CSC1CCCCC1 62a_100009817552_100000210327 [0,0,0,0,0,0|2,0,1]=3 201 B11R1.91 C[C@@H](O)CSC1CCCOC1 62a_100009817552_100000693364 [0,0,0,0,0,0|3,0,1]=4 202 B11R1.91 C[C@@H](O)CSC1CCOCC1 62a_100009817552_100011324220 [0,0,0,0,0,0|3,0,1]=4 203 B11R1.91 C[C@@H](O)CSC1CCSCC1 62a_100009817552_100000069128 [0,0,0,0,0,0|3,0,1]=4 204 B11R1.91 FC(F)CNC1CCCCC1 2230a_100000182618_100011934356 [0,0,0,0,0,0|3,0,1]=4 205 B11R1.91 FC(F)CNC1CCCCC1 270004a_100000765723_100000210434 [0,0,0,0,0,0|3,0,1]=4 206 B11R1.91 FC(F)CNC1CCCCC1 34a_100000182618_100011934356 [0,0,0,0,0,0|3,0,1]=4 207 B11R1.91 FC(F)CNC1CCCCC1 34a_100000765723_100000210327 [0,0,0,0,0,0|3,0,1]=4 208 B11R1.91 FC(F)COC1CCCCC1 34a_100000210231_100011934356 [0,0,0,0,0,0|3,0,1]=4 209 B11R1.91 FC(F)COC1CCCCC1 34a_100000743014_100000210327 [0,0,0,0,0,0|3,0,1]=4 210 B11R1.91 FC(F)COC1CCCCC1 7a_100000210231_100011934356 [0,0,0,0,0,0|3,0,1]=4 211 B11R1.91 FC(F)CSC1CCCCC1 62a_100000210327_100011934356 [0,0,0,0,0,0|3,0,1]=4 212 B11R1.91 FC(F)CSC1CCCCC1 62a_100011934356_100000210327 [0,0,0,0,0,0|3,0,1]=4 213 B11R1.91 NC(=O)CCN1CC=CCC1 2230a_100000698166_100000744528 [0,0,0,0,0,0|2,0,2]=4 214 B11R1.91 NC(=O)CCN1CC=CCC1 269982a_100000698166_100000744528 [0,0,0,0,0,0|2,0,2]=4 215 B11R1.91 NC(=O)CCN1CC=CCC1 34a_100000698166_100000731001 [0,0,0,0,0,0|2,0,2]=4 216 B11R1.91 NC(=O)CCN1CCCOC1 2230a_100000131196_100000744528 [0,0,0,0,0,0|3,0,0]=3 217 B11R1.91 NC(=O)CCN1CCCOC1 269982a_100000131196_100000744528 [0,0,0,0,0,0|3,0,0]=3 218 B11R1.91 NC(=O)CCN1CCCOC1 34a_100000131196_100000731001 [0,0,0,0,0,0|3,0,0]=3 219 B11R1.91 NC(=O)CCN1CCOCC1 2230a_100015191051_100000744528 [0,0,0,0,0,0|3,0,0]=3 220 B11R1.91 NC(=O)CCN1CCOCC1 269982a_100015191051_100000744528 [0,0,0,0,0,0|3,0,0]=3 221 B11R1.91 NC(=O)CCN1CCOCC1 34a_100015191051_100000731001 [0,0,0,0,0,0|3,0,0]=3 222 B11R1.91 NC(=O)CCN1CCSCC1 2230a_100000737611_100000744528 [0,0,0,0,0,0|3,0,0]=3 223 B11R1.91 NC(=O)CCN1CCSCC1 269982a_100000737611_100000744528 [0,0,0,0,0,0|3,0,0]=3 224 B11R1.91 NC(=O)CNC1C=CCCC1 2230a_100000711301_100000751183 [0,0,0,0,0,0|2,0,2]=4 225 B11R1.91 NC(=O)CNC1CCCCC1 2230a_100000182618_100000747473 [0,0,0,0,0,0|2,0,0]=2 226 B11R1.91 NC(=O)CNC1CCCCC1 34a_100000182618_100000187820 [0,0,0,0,0,0|2,0,0]=2 227 B11R1.91 NC(=O)CNC1CCCOC1 2230a_100000719290_100000747473 [0,0,0,0,0,0|3,0,0]=3 228 B11R1.91 NC(=O)CNC1CCCOC1 34a_100000719290_100000187820 [0,0,0,0,0,0|3,0,0]=3 229 B11R1.91 NC(=O)CNC1CCOCC1 2230a_100000741149_100000747473 [0,0,0,0,0,0|3,0,0]=3 230 B11R1.91 NC(=O)CNC1CCOCC1 34a_100000741149_100000187820 [0,0,0,0,0,0|3,0,0]=3 231 B11R1.91 NC(=O)CNC1CCSCC1 2230a_100000748639_100000747473 [0,0,0,0,0,0|3,0,0]=3 232 B11R1.91 NC(=O)CNC1CCSCC1 34a_100000748639_100000187820 [0,0,0,0,0,0|3,0,0]=3 233 B11R1.91 NC(=O)COC1C=CCCC1 34a_100011215024_100000187820 [0,0,0,0,0,0|2,0,2]=4 234 B11R1.91 NC(=O)COC1CC=CCC1 34a_100000073881_100000187820 [0,0,0,0,0,0|2,0,2]=4 235 B11R1.91 NC(=O)COC1CCCCC1 34a_100000210231_100000187820 [0,0,0,0,0,0|2,0,0]=2 236 B11R1.91 NC(=O)COC1CCCCC1 7a_100000210231_100000187820 [0,0,0,0,0,0|2,0,0]=2 237 B11R1.91 NC(=O)COC1CCCCO1 34a_100000033831_100000187820 [0,0,0,0,0,0|3,0,0]=3 238 B11R1.91 NC(=O)COC1CCCOC1 34a_100000754041_100000187820 [0,0,0,0,0,0|3,0,0]=3 239 B11R1.91 NC(=O)COC1CCCSC1 7a_100015962668_100000187820 [0,0,0,0,0,0|3,0,0]=3 240 B11R1.91 NC(=O)COC1CCOCC1 34a_100000744328_100000187820 [0,0,0,0,0,0|3,0,0]=3 241 B11R1.91 NC(=O)COC1CCSCC1 34a_100000731022_100000187820 [0,0,0,0,0,0|3,0,0]=3 242 B11R1.91 NC(=O)COC1CCSCC1 7a_100000731022_100000187820 [0,0,0,0,0,0|3,0,0]=3 243 B11R1.91 NC(=O)CSC1C=CCCC1 62a_100000747473_100000751183 [0,0,0,0,0,0|2,0,2]=4 244 B11R1.91 NC(=O)CSC1C=CCCC1 62a_100000751183_100000747473 [0,0,0,0,0,0|2,0,2]=4 245 B11R1.91 NC(=O)CSC1CCCCC1 62a_100000210327_100000747473 [0,0,0,0,0,0|2,0,0]=2 246 B11R1.91 NC(=O)CSC1CCCCC1 62a_100000747473_100000210327 [0,0,0,0,0,0|2,0,0]=2 247 B11R1.91 NC(=O)CSC1CCCOC1 62a_100000747473_100000693364 [0,0,0,0,0,0|3,0,0]=3 248 B11R1.91 NC(=O)CSC1CCOCC1 62a_100000747473_100011324220 [0,0,0,0,0,0|3,0,0]=3 249 B11R1.91 NC(=O)CSC1CCSCC1 62a_100000747473_100000069128 [0,0,0,0,0,0|3,0,0]=3 250 B11R1.91 O=C(O)CNC1C=CCCC1 269956a_100016091260_100000751183 [0,0,0,0,0,0|1,0,2]=3 251 B11R1.91 O=C(O)CNC1CCCCC1 269956a_100016091260_100000210327 [0,0,0,0,0,0|1,0,0]=1 252 B11R1.91 O=C(O)CNC1CCCOC1 269956a_100016091260_100000693364 [0,0,0,0,0,0|2,0,0]=2 253 B11R1.91 O=C(O)CNC1CCOCC1 269956a_100016091260_100011324220 [0,0,0,0,0,0|2,0,0]=2 254 B11R1.91 O=C(O)CNC1CCSCC1 269956a_100016091260_100000069128 [0,0,0,0,0,0|2,0,0]=2 255 B11R1.91 O=C([O-])CNC1CCCCC1 34a_100000182618_100020667443 [0,0,0,0,0,0|1,0,1]=2 256 B11R1.91 O=C([O-])CNC1CCCOC1 34a_100000719290_100020667443 [0,0,0,0,0,0|2,0,1]=3 257 B11R1.91 O=C([O-])CNC1CCOCC1 34a_100000741149_100020667443 [0,0,0,0,0,0|2,0,1]=3 258 B11R1.91 O=C([O-])CNC1CCSCC1 34a_100000748639_100020667443 [0,0,0,0,0,0|2,0,1]=3 259 B11R1.91 O=C([O-])COC1C=CCCC1 34a_100011215024_100020667443 [0,0,0,0,0,0|1,0,3]=4 260 B11R1.91 O=C([O-])COC1CC=CCC1 34a_100000073881_100020667443 [0,0,0,0,0,0|1,0,3]=4 261 B11R1.91 O=C([O-])COC1CCCCC1 34a_100000210231_100020667443 [0,0,0,0,0,0|1,0,1]=2 262 B11R1.91 O=C([O-])COC1CCCCO1 34a_100000033831_100020667443 [0,0,0,0,0,0|2,0,1]=3 263 B11R1.91 O=C([O-])COC1CCCOC1 34a_100000754041_100020667443 [0,0,0,0,0,0|2,0,1]=3 264 B11R1.91 O=C([O-])COC1CCOCC1 34a_100000744328_100020667443 [0,0,0,0,0,0|2,0,1]=3 265 B11R1.91 O=C([O-])COC1CCSCC1 34a_100000731022_100020667443 [0,0,0,0,0,0|2,0,1]=3 266 B11R1.91 O=C([O-])CSC1C=CCCC1 62a_100000751183_100020667443 [0,0,0,0,0,0|1,0,3]=4 267 B11R1.91 O=C([O-])CSC1C=CCCC1 62a_100020667443_100000751183 [0,0,0,0,0,0|1,0,3]=4 268 B11R1.91 O=C([O-])CSC1CCCCC1 62a_100000210327_100020667443 [0,0,0,0,0,0|1,0,1]=2 269 B11R1.91 O=C([O-])CSC1CCCCC1 62a_100020667443_100000210327 [0,0,0,0,0,0|1,0,1]=2 270 B11R1.91 O=C([O-])CSC1CCCOC1 62a_100020667443_100000693364 [0,0,0,0,0,0|2,0,1]=3 271 B11R1.91 O=C([O-])CSC1CCOCC1 62a_100020667443_100011324220 [0,0,0,0,0,0|2,0,1]=3 272 B11R1.91 O=C([O-])CSC1CCSCC1 62a_100020667443_100000069128 [0,0,0,0,0,0|2,0,1]=3 273 B11R1.91 O=[N+]([O-])CNC1CCCCC1 34a_100000182618_100000761209 [0,0,0,0,0,0|2,0,1]=3 274 B11R1.91 O=[N+]([O-])CNC1CCCOC1 34a_100000719290_100000761209 [0,0,0,0,0,0|3,0,1]=4 275 B11R1.91 O=[N+]([O-])CNC1CCOCC1 34a_100000741149_100000761209 [0,0,0,0,0,0|3,0,1]=4 276 B11R1.91 O=[N+]([O-])CNC1CCSCC1 34a_100000748639_100000761209 [0,0,0,0,0,0|3,0,1]=4 277 B11R1.91 O=[N+]([O-])COC1CCCCC1 34a_100000210231_100000761209 [0,0,0,0,0,0|2,0,1]=3 278 B11R1.91 O=[N+]([O-])COC1CCCCO1 34a_100000033831_100000761209 [0,0,0,0,0,0|3,0,1]=4 279 B11R1.91 O=[N+]([O-])COC1CCCOC1 34a_100000754041_100000761209 [0,0,0,0,0,0|3,0,1]=4 280 B11R1.91 O=[N+]([O-])COC1CCOCC1 34a_100000744328_100000761209 [0,0,0,0,0,0|3,0,1]=4 281 B11R1.91 O=[N+]([O-])COC1CCSCC1 34a_100000731022_100000761209 [0,0,0,0,0,0|3,0,1]=4 282 B11R1.91 O=[N+]([O-])CSC1CCCCC1 62a_100000210327_100000761209 [0,0,0,0,0,0|2,0,1]=3 283 B11R1.91 [13CH3]C(=O)C=CC1CCCCC1 1458a_100102566626_200025704644 [0,0,0,0,0,0|1,0,2]=3 284 B11R1.91 [13CH3]C(=O)CCC1CCCCC1 1458a_100000211375_200025704644 [0,0,0,0,0,0|1,0,0]=1 285 B11R1.91 [13CH3]C(=O)CCN1CCCCC1 1458a_100000743487_200025704644 [0,0,0,0,0,0|2,0,0]=2 286 B11R1.91 [13CH3]C(=O)CCN1CCCCO1 1458a_200015184090_200025704644 [0,0,0,0,0,0|3,0,0]=3 287 B11R1.91 [13CH3]C(=O)CCN1CCOCC1 1458a_100000749337_200025704644 [0,0,0,0,0,0|3,0,0]=3 288 B11R1.91 [13CH3]C(=O)CNC1=NCCCC1 1458a_100000118790_200025704644 [0,0,0,0,0,0|3,0,1]=4 289 B11R1.91 [13CH3]C(=O)COC1CCCCC1 1458a_100011223303_200025704644 [0,0,0,0,0,0|2,0,0]=2 290 B10R1.17 BrCCOC1CCCCC1 34a_100000211926_100000210327 [1,0,0,0,0,0|2,0,1]=4 291 B10R1.17 C#CCNC1CCCCC1 2230a_100000182618_100000038162 [1,0,0,0,0,0|2,0,1]=4 292 B10R1.17 C#CCNC1CCCCC1 34a_100000182618_100000184674 [1,0,0,0,0,0|2,0,1]=4 293 B10R1.17 C#CCNC1CCCCC1 34a_100000212058_100000210327 [1,0,0,0,0,0|2,0,1]=4 294 B10R1.17 C#CCOC1CCCCC1 34a_100000210231_100000184674 [1,0,0,0,0,0|2,0,1]=4 295 B10R1.17 C#CCOC1CCCCC1 34a_100000210247_100000210327 [1,0,0,0,0,0|2,0,1]=4 296 B10R1.17 C#CCOC1CCCCC1 7a_100000210231_100000038162 [1,0,0,0,0,0|2,0,1]=4 297 B10R1.17 C#CCSC1CCCCC1 62a_100000038162_100000210327 [1,0,0,0,0,0|2,0,1]=4 298 B10R1.17 C=CCCN1CCCOC1 2230a_100000131196_100000754431 [1,0,0,0,0,0|3,0,0]=4 299 B10R1.17 C=CCCN1CCCOC1 269982a_100000131196_100000754431 [1,0,0,0,0,0|3,0,0]=4 300 B10R1.17 C=CCCN1CCCOC1 34a_100000131196_100000754431 [1,0,0,0,0,0|3,0,0]=4 301 B10R1.17 C=CCCN1CCOCC1 2230a_100015191051_100000754431 [1,0,0,0,0,0|3,0,0]=4 302 B10R1.17 C=CCCN1CCOCC1 269982a_100015191051_100000754431 [1,0,0,0,0,0|3,0,0]=4 303 B10R1.17 C=CCCN1CCOCC1 34a_100015191051_100000754431 [1,0,0,0,0,0|3,0,0]=4 304 B10R1.17 C=CCCN1CCSCC1 2230a_100000737611_100000754431 [1,0,0,0,0,0|3,0,0]=4 305 B10R1.17 C=CCCN1CCSCC1 269982a_100000737611_100000754431 [1,0,0,0,0,0|3,0,0]=4 306 B10R1.17 C=CCNC1CCCCC1 2230a_100000182618_100000210623 [1,0,0,0,0,0|2,0,0]=3 307 B10R1.17 C=CCNC1CCCCC1 270004a_100020586998_100000210434 [1,0,0,0,0,0|2,0,0]=3 308 B10R1.17 C=CCNC1CCCCC1 34a_100000182618_100015514636 [1,0,0,0,0,0|2,0,0]=3 309 B10R1.17 C=CCNC1CCCOC1 2230a_100000719290_100000210623 [1,0,0,0,0,0|3,0,0]=4 310 B10R1.17 C=CCNC1CCCOC1 270004a_100020586998_100000753404 [1,0,0,0,0,0|3,0,0]=4 311 B10R1.17 C=CCNC1CCCOC1 34a_100000719290_100015514636 [1,0,0,0,0,0|3,0,0]=4 312 B10R1.17 C=CCNC1CCCSC1 270004a_100020586998_100000057913 [1,0,0,0,0,0|3,0,0]=4 313 B10R1.17 C=CCNC1CCNCC1 270004a_100020586998_100015192401 [1,0,0,0,0,0|3,0,0]=4 314 B10R1.17 C=CCNC1CCOCC1 2230a_100000741149_100000210623 [1,0,0,0,0,0|3,0,0]=4 315 B10R1.17 C=CCNC1CCOCC1 270004a_100020586998_100011217826 [1,0,0,0,0,0|3,0,0]=4 316 B10R1.17 C=CCNC1CCOCC1 34a_100000741149_100015514636 [1,0,0,0,0,0|3,0,0]=4 317 B10R1.17 C=CCNC1CCSCC1 2230a_100000748639_100000210623 [1,0,0,0,0,0|3,0,0]=4 318 B10R1.17 C=CCNC1CCSCC1 270004a_100020586998_100000203788 [1,0,0,0,0,0|3,0,0]=4 319 B10R1.17 C=CCNC1CCSCC1 34a_100000748639_100015514636 [1,0,0,0,0,0|3,0,0]=4 320 B10R1.17 C=CCOC1CCCCC1 34a_100000210231_100015514636 [1,0,0,0,0,0|2,0,0]=3 321 B10R1.17 C=CCOC1CCCCC1 34a_200000210373_100000210327 [1,0,0,0,0,0|2,0,0]=3 322 B10R1.17 C=CCOC1CCCCC1 7a_100000210231_100015514636 [1,0,0,0,0,0|2,0,0]=3 323 B10R1.17 C=CCOC1CCCCO1 34a_100000033831_100015514636 [1,0,0,0,0,0|3,0,0]=4 324 B10R1.17 C=CCOC1CCCOC1 34a_100000754041_100015514636 [1,0,0,0,0,0|3,0,0]=4 325 B10R1.17 C=CCOC1CCCOC1 34a_200000210373_100000693364 [1,0,0,0,0,0|3,0,0]=4 326 B10R1.17 C=CCOC1CCCSC1 7a_100015962668_100015514636 [1,0,0,0,0,0|3,0,0]=4 327 B10R1.17 C=CCOC1CCOCC1 34a_100000744328_100015514636 [1,0,0,0,0,0|3,0,0]=4 328 B10R1.17 C=CCOC1CCSCC1 34a_100000731022_100015514636 [1,0,0,0,0,0|3,0,0]=4 329 B10R1.17 C=CCOC1CCSCC1 34a_200000210373_100000069128 [1,0,0,0,0,0|3,0,0]=4 330 B10R1.17 C=CCOC1CCSCC1 7a_100000731022_100015514636 [1,0,0,0,0,0|3,0,0]=4 331 B10R1.17 C=CCSC1CCCCC1 62a_100000210327_100000210623 [1,0,0,0,0,0|2,0,0]=3 332 B10R1.17 C=CCSC1CCCCC1 62a_100000210623_100000210327 [1,0,0,0,0,0|2,0,0]=3 333 B10R1.17 C=CCSC1CCCOC1 62a_100000210623_100000693364 [1,0,0,0,0,0|3,0,0]=4 334 B10R1.17 C=CCSC1CCOCC1 62a_100000210623_100011324220 [1,0,0,0,0,0|3,0,0]=4 335 B10R1.17 C=CCSC1CCSCC1 62a_100000210623_100000069128 [1,0,0,0,0,0|3,0,0]=4 336 B10R1.17 CC=NNC1CCCCC1 4a_100000709804_200000210099 [1,0,0,0,0,0|3,0,0]=4 337 B10R1.17 CCCNC1CCCCC1 2230a_100000182618_100000210303 [1,0,0,0,0,0|2,0,1]=4 338 B10R1.17 CCCNC1CCCCC1 270004a_100020643023_100000210434 [1,0,0,0,0,0|2,0,1]=4 339 B10R1.17 CCCNC1CCCCC1 34a_100000182618_100000210303 [1,0,0,0,0,0|2,0,1]=4 340 B10R1.17 CCCOC1CCCCC1 34a_100000210231_100000210303 [1,0,0,0,0,0|2,0,1]=4 341 B10R1.17 CCCOC1CCCCC1 34a_100000210258_100000210327 [1,0,0,0,0,0|2,0,1]=4 342 B10R1.17 CCCOC1CCCCC1 7a_100000210231_100000210303 [1,0,0,0,0,0|2,0,1]=4 343 B10R1.17 CCCSC1CCCCC1 62a_100000210303_100000210327 [1,0,0,0,0,0|2,0,1]=4 344 B10R1.17 CCCSC1CCCCC1 62a_100000210327_100000210303 [1,0,0,0,0,0|2,0,1]=4 345 B10R1.17 CCNCC1CCCCC1 2230a_100000210473_100000210202 [1,0,0,0,0,0|2,0,1]=4 346 B10R1.17 CCNCC1CCCCC1 2230a_100015525214_100000211423 [1,0,0,0,0,0|2,0,1]=4 347 B10R1.17 CCNCC1CCCCC1 269862a_100015525214_100000211278 [1,0,0,0,0,0|2,0,1]=4 348 B10R1.17 CCNCC1CCCCC1 34a_100000210473_100000210202 [1,0,0,0,0,0|2,0,1]=4 349 B10R1.17 CCOCC1CCCCC1 34a_100000212181_100000210202 [1,0,0,0,0,0|2,0,1]=4 350 B10R1.17 CCOCC1CCCCC1 34a_100121572206_100000211423 [1,0,0,0,0,0|2,0,1]=4 351 B10R1.17 CCOCC1CCCCC1 7a_100000212181_100000210202 [1,0,0,0,0,0|2,0,1]=4 352 B10R1.17 CCSCC1CCCCC1 62a_100000210202_100000211423 [1,0,0,0,0,0|2,0,1]=4 353 B10R1.17 CCSCC1CCCCC1 62a_100000211423_100000210202 [1,0,0,0,0,0|2,0,1]=4 354 B10R1.17 CNCCC1CCCCC1 2230a_100000738074_200000210301 [1,0,0,0,0,0|2,0,0]=3 355 B10R1.17 CNCCC1CCCCC1 2230a_106832991635_100012355289 [1,0,0,0,0,0|2,0,0]=3 356 B10R1.17 CNCCC1CCCCC1 270004a_106832991635_100011713444 [1,0,0,0,0,0|2,0,0]=3 357 B10R1.17 CNCCC1CCCCC1 34a_100000738074_200000210301 [1,0,0,0,0,0|2,0,0]=3 358 B10R1.17 CNCCC1CCCCC1 34a_100102657272_100011209188 [1,0,0,0,0,0|2,0,0]=3 359 B10R1.17 CNCCC1CCCCC1 7a_106832991635_100011273959 [1,0,0,0,0,0|2,0,0]=3 360 B10R1.17 CNCCC1CCCCO1 2230a_100015183643_200000210301 [1,0,0,0,0,0|3,0,0]=4 361 B10R1.17 CNCCC1CCCCO1 34a_100015183643_200000210301 [1,0,0,0,0,0|3,0,0]=4 362 B10R1.17 CNCCC1CCOCC1 2230a_100000755988_200000210301 [1,0,0,0,0,0|3,0,0]=4 363 B10R1.17 CNCCC1CCOCC1 2230a_106832991635_100011934994 [1,0,0,0,0,0|3,0,0]=4 364 B10R1.17 CNCCC1CCOCC1 34a_100000755988_200000210301 [1,0,0,0,0,0|3,0,0]=4 365 B10R1.17 CNCCC1CCOCC1 34a_100102657272_100011934994 [1,0,0,0,0,0|3,0,0]=4 366 B10R1.17 CNCCC1CCOCC1 7a_106832991635_100011934994 [1,0,0,0,0,0|3,0,0]=4 367 B10R1.17 CNCCN1CCCCC1 2230a_106832991635_100000739454 [1,0,0,0,0,0|3,0,0]=4 368 B10R1.17 CNCCN1CCCCC1 34a_100102657272_100000739454 [1,0,0,0,0,0|3,0,0]=4 369 B10R1.17 CNCCN1CCCCC1 7a_106832991635_100000739454 [1,0,0,0,0,0|3,0,0]=4 370 B10R1.17 CNCOC1CCCCC1 2230a_106832991635_100011935260 [1,0,0,0,0,0|3,0,0]=4 371 B10R1.17 CNCOC1CCCCC1 34a_100102657272_100011935260 [1,0,0,0,0,0|3,0,0]=4 372 B10R1.17 CNCOC1CCCCC1 7a_106832991635_100011935260 [1,0,0,0,0,0|3,0,0]=4 373 B10R1.17 COCCC1CCCCC1 34a_100011217863_200000210301 [1,0,0,0,0,0|2,0,0]=3 374 B10R1.17 COCCC1CCCCC1 34a_100138415774_100011209188 [1,0,0,0,0,0|2,0,0]=3 375 B10R1.17 COCCC1CCCCC1 7a_100011217863_200000210301 [1,0,0,0,0,0|2,0,0]=3 376 B10R1.17 COCCC1CCCCN1 34a_100000211664_200000210301 [1,0,0,0,0,0|3,0,0]=4 377 B10R1.17 COCCC1CCCNC1 34a_100000752241_200000210301 [1,0,0,0,0,0|3,0,0]=4 378 B10R1.17 COCCC1CCNCC1 34a_100015190746_200000210301 [1,0,0,0,0,0|3,0,0]=4 379 B10R1.17 COCCC1CCOCC1 34a_100011933979_200000210301 [1,0,0,0,0,0|3,0,0]=4 380 B10R1.17 COCCC1CCOCC1 34a_100138415774_100011934994 [1,0,0,0,0,0|3,0,0]=4 381 B10R1.17 COCCC1CCOCC1 7a_100011933979_200000210301 [1,0,0,0,0,0|3,0,0]=4 382 B10R1.17 COCCN1CCCCC1 34a_100138415774_100000739454 [1,0,0,0,0,0|3,0,0]=4 383 B10R1.17 COCNC1CCCCC1 2230a_100000182618_100000766300 [1,0,0,0,0,0|3,0,0]=4 384 B10R1.17 COCOC1CCCCC1 34a_100138415774_100011935260 [1,0,0,0,0,0|3,0,0]=4 385 B10R1.17 COCSC1CCCCC1 62a_100000210327_100000766300 [1,0,0,0,0,0|3,0,0]=4 386 B10R1.17 COCSC1CCCCC1 62a_100000766300_100000210327 [1,0,0,0,0,0|3,0,0]=4 387 B10R1.17 CSCCC1CCCCC1 62a_100012355289_200000210301 [1,0,0,0,0,0|2,0,0]=3 388 B10R1.17 CSCCC1CCCCC1 62a_200000210301_100012355289 [1,0,0,0,0,0|2,0,0]=3 389 B10R1.17 CSCCC1CCOCC1 62a_100011934994_200000210301 [1,0,0,0,0,0|3,0,0]=4 390 B10R1.17 CSCCC1CCOCC1 62a_200000210301_100011934994 [1,0,0,0,0,0|3,0,0]=4 391 B10R1.17 CSCCN1CCCCC1 62a_100000739454_200000210301 [1,0,0,0,0,0|3,0,0]=4 392 B10R1.17 CSCCN1CCCCC1 62a_200000210301_100000739454 [1,0,0,0,0,0|3,0,0]=4 393 B10R1.17 CSCNC1CCCCC1 2230a_100000182618_100011218213 [1,0,0,0,0,0|3,0,0]=4 394 B10R1.17 CSCNC1CCCCC1 34a_100000182618_100011218213 [1,0,0,0,0,0|3,0,0]=4 395 B10R1.17 CSCOC1CCCCC1 34a_100000210231_100011218213 [1,0,0,0,0,0|3,0,0]=4 396 B10R1.17 CSCOC1CCCCC1 62a_100011935260_200000210301 [1,0,0,0,0,0|3,0,0]=4 397 B10R1.17 CSCOC1CCCCC1 62a_200000210301_100011935260 [1,0,0,0,0,0|3,0,0]=4 398 B10R1.17 CSCSC1CCCCC1 62a_100000210327_100011218213 [1,0,0,0,0,0|3,0,0]=4 399 B10R1.17 CSCSC1CCCCC1 62a_100011218213_100000210327 [1,0,0,0,0,0|3,0,0]=4 400 B10R1.17 FCCNC1CCCCC1 2230a_100000182618_100011217306 [1,0,0,0,0,0|2,0,1]=4 401 B10R1.17 FCCNC1CCCCC1 34a_100000182618_100011217306 [1,0,0,0,0,0|2,0,1]=4 402 B10R1.17 FCCNC1CCCCC1 34a_100000724931_100000210327 [1,0,0,0,0,0|2,0,1]=4 403 B10R1.17 FCCOC1CCCCC1 34a_100000210231_100011217306 [1,0,0,0,0,0|2,0,1]=4 404 B10R1.17 FCCOC1CCCCC1 7a_100000210231_100011217306 [1,0,0,0,0,0|2,0,1]=4 405 B10R1.17 FCCSC1CCCCC1 62a_100000210327_100011217306 [1,0,0,0,0,0|2,0,1]=4 406 B10R1.17 FCCSC1CCCCC1 62a_100011217306_100000210327 [1,0,0,0,0,0|2,0,1]=4 407 B10R1.17 FCNCC1CCCCC1 34a_100000210473_100015361967 [1,0,0,0,0,0|2,0,1]=4 408 B10R1.17 FCOCC1CCCCC1 34a_100000212181_100015361967 [1,0,0,0,0,0|2,0,1]=4 409 B10R1.17 FCOCC1CCCCC1 7a_100000212181_100015361967 [1,0,0,0,0,0|2,0,1]=4 410 B10R1.17 FCSCC1CCCCC1 62a_100000211423_100015361967 [1,0,0,0,0,0|2,0,1]=4 411 B10R1.17 FCSCC1CCCCC1 62a_100015361967_100000211423 [1,0,0,0,0,0|2,0,1]=4 412 B10R1.17 N#CCNC1CCCCC1 2230a_100000182618_100011215382 [1,0,0,0,0,0|2,0,1]=4 413 B10R1.17 N#CCOC1CCCCC1 7a_100000210231_100011215382 [1,0,0,0,0,0|2,0,1]=4 414 B10R1.17 N#CCSC1CCCCC1 62a_100000210327_100011215382 [1,0,0,0,0,0|2,0,1]=4 415 B10R1.17 N#CCSC1CCCCC1 62a_100011215382_100000210327 [1,0,0,0,0,0|2,0,1]=4 416 B10R1.17 NCCOC1CCCCC1 34a_100000210304_100000210327 [1,0,0,0,0,0|2,0,1]=4 417 B10R1.17 O=CCNC1CCCCC1 2230a_100000182618_200015260668 [1,0,0,0,0,0|1,0,0]=2 418 B10R1.17 O=CCNC1CCCCC1 34a_100000182618_200009817547 [1,0,0,0,0,0|1,0,0]=2 419 B10R1.17 O=CCNC1CCCOC1 2230a_100000719290_200015260668 [1,0,0,0,0,0|2,0,0]=3 420 B10R1.17 O=CCNC1CCCOC1 34a_100000719290_200009817547 [1,0,0,0,0,0|2,0,0]=3 421 B10R1.17 O=CCNC1CCOCC1 2230a_100000741149_200015260668 [1,0,0,0,0,0|2,0,0]=3 422 B10R1.17 O=CCNC1CCOCC1 34a_100000741149_200009817547 [1,0,0,0,0,0|2,0,0]=3 423 B10R1.17 O=CCNC1CCSCC1 2230a_100000748639_200015260668 [1,0,0,0,0,0|2,0,0]=3 424 B10R1.17 O=CCNC1CCSCC1 34a_100000748639_200009817547 [1,0,0,0,0,0|2,0,0]=3 425 B10R1.17 O=CCOC1C=CCCC1 34a_100011215024_200009817547 [1,0,0,0,0,0|1,0,2]=4 426 B10R1.17 O=CCOC1CC=CCC1 34a_100000073881_200009817547 [1,0,0,0,0,0|1,0,2]=4 427 B10R1.17 O=CCOC1CCCCC1 34a_100000210231_200009817547 [1,0,0,0,0,0|1,0,0]=2 428 B10R1.17 O=CCOC1CCCCC1 7a_100000210231_200015260668 [1,0,0,0,0,0|1,0,0]=2 429 B10R1.17 O=CCOC1CCCCO1 34a_100000033831_200009817547 [1,0,0,0,0,0|2,0,0]=3 430 B10R1.17 O=CCOC1CCCOC1 34a_100000754041_200009817547 [1,0,0,0,0,0|2,0,0]=3 431 B10R1.17 O=CCOC1CCCSC1 7a_100015962668_200015260668 [1,0,0,0,0,0|2,0,0]=3 432 B10R1.17 O=CCOC1CCOCC1 34a_100000744328_200009817547 [1,0,0,0,0,0|2,0,0]=3 433 B10R1.17 O=CCOC1CCSCC1 34a_100000731022_200009817547 [1,0,0,0,0,0|2,0,0]=3 434 B10R1.17 O=CCOC1CCSCC1 7a_100000731022_200015260668 [1,0,0,0,0,0|2,0,0]=3 435 B10R1.17 O=CCSC1C=CCCC1 62a_100000751183_200015260668 [1,0,0,0,0,0|1,0,2]=4 436 B10R1.17 O=CCSC1C=CCCC1 62a_200015260668_100000751183 [1,0,0,0,0,0|1,0,2]=4 437 B10R1.17 O=CCSC1CCCCC1 62a_100000210327_200015260668 [1,0,0,0,0,0|1,0,0]=2 438 B10R1.17 O=CCSC1CCCCC1 62a_200015260668_100000210327 [1,0,0,0,0,0|1,0,0]=2 439 B10R1.17 O=CCSC1CCCOC1 62a_200015260668_100000693364 [1,0,0,0,0,0|2,0,0]=3 440 B10R1.17 O=CCSC1CCOCC1 62a_200015260668_100011324220 [1,0,0,0,0,0|2,0,0]=3 441 B10R1.17 O=CCSC1CCSCC1 62a_200015260668_100000069128 [1,0,0,0,0,0|2,0,0]=3 442 B10R1.17 OCCCN1CCCOC1 2230a_100000131196_100000230001 [1,0,0,0,0,0|2,0,1]=4 443 B10R1.17 OCCCN1CCCOC1 269982a_100000131196_100011215043 [1,0,0,0,0,0|2,0,1]=4 444 B10R1.17 OCCCN1CCCOC1 34a_100000131196_100000230001 [1,0,0,0,0,0|2,0,1]=4 445 B10R1.17 OCCCN1CCOCC1 2230a_100015191051_100000230001 [1,0,0,0,0,0|2,0,1]=4 446 B10R1.17 OCCCN1CCOCC1 269982a_100015191051_100011215043 [1,0,0,0,0,0|2,0,1]=4 447 B10R1.17 OCCCN1CCOCC1 34a_100015191051_100000230001 [1,0,0,0,0,0|2,0,1]=4 448 B10R1.17 OCCCN1CCSCC1 2230a_100000737611_100000230001 [1,0,0,0,0,0|2,0,1]=4 449 B10R1.17 OCCCN1CCSCC1 269982a_100000737611_100011215043 [1,0,0,0,0,0|2,0,1]=4 450 B10R1.17 OCCNC1CCCCC1 2230a_100000182618_100000211926 [1,0,0,0,0,0|1,0,1]=3 451 B10R1.17 OCCNC1CCCCC1 270004a_100000210304_100000210434 [1,0,0,0,0,0|1,0,1]=3 452 B10R1.17 OCCNC1CCCCC1 34a_100000182618_100000211926 [1,0,0,0,0,0|1,0,1]=3 453 B10R1.17 OCCNC1CCCCC1 34a_100016990907_100000210327 [1,0,0,0,0,0|1,0,1]=3 454 B10R1.17 OCCNC1CCCOC1 2230a_100000719290_100000211926 [1,0,0,0,0,0|2,0,1]=4 455 B10R1.17 OCCNC1CCCOC1 270004a_100000210304_100000753404 [1,0,0,0,0,0|2,0,1]=4 456 B10R1.17 OCCNC1CCCOC1 34a_100000719290_100000211926 [1,0,0,0,0,0|2,0,1]=4 457 B10R1.17 OCCNC1CCCOC1 34a_100016990907_100000693364 [1,0,0,0,0,0|2,0,1]=4 458 B10R1.17 OCCNC1CCCSC1 270004a_100000210304_100000057913 [1,0,0,0,0,0|2,0,1]=4 459 B10R1.17 OCCNC1CCNCC1 270004a_100000210304_100015192401 [1,0,0,0,0,0|2,0,1]=4 460 B10R1.17 OCCNC1CCOCC1 2230a_100000741149_100000211926 [1,0,0,0,0,0|2,0,1]=4 461 B10R1.17 OCCNC1CCOCC1 270004a_100000210304_100011217826 [1,0,0,0,0,0|2,0,1]=4 462 B10R1.17 OCCNC1CCOCC1 34a_100000741149_100000211926 [1,0,0,0,0,0|2,0,1]=4 463 B10R1.17 OCCNC1CCSCC1 2230a_100000748639_100000211926 [1,0,0,0,0,0|2,0,1]=4 464 B10R1.17 OCCNC1CCSCC1 270004a_100000210304_100000203788 [1,0,0,0,0,0|2,0,1]=4 465 B10R1.17 OCCNC1CCSCC1 34a_100000748639_100000211926 [1,0,0,0,0,0|2,0,1]=4 466 B10R1.17 OCCNC1CCSCC1 34a_100016990907_100000069128 [1,0,0,0,0,0|2,0,1]=4 467 B10R1.17 OCCOC1CCCCC1 34a_100000210231_100000211926 [1,0,0,0,0,0|1,0,1]=3 468 B10R1.17 OCCOC1CCCCC1 7a_100000210231_100000211926 [1,0,0,0,0,0|1,0,1]=3 469 B10R1.17 OCCOC1CCCCO1 34a_100000033831_100000211926 [1,0,0,0,0,0|2,0,1]=4 470 B10R1.17 OCCOC1CCCOC1 34a_100000754041_100000211926 [1,0,0,0,0,0|2,0,1]=4 471 B10R1.17 OCCOC1CCCSC1 7a_100015962668_100000211926 [1,0,0,0,0,0|2,0,1]=4 472 B10R1.17 OCCOC1CCOCC1 34a_100000744328_100000211926 [1,0,0,0,0,0|2,0,1]=4 473 B10R1.17 OCCOC1CCSCC1 34a_100000731022_100000211926 [1,0,0,0,0,0|2,0,1]=4 474 B10R1.17 OCCOC1CCSCC1 7a_100000731022_100000211926 [1,0,0,0,0,0|2,0,1]=4 475 B10R1.17 OCCSC1CCCCC1 62a_100000210327_100000211926 [1,0,0,0,0,0|1,0,1]=3 476 B10R1.17 OCCSC1CCCCC1 62a_100000211926_100000210327 [1,0,0,0,0,0|1,0,1]=3 477 B10R1.17 OCCSC1CCCOC1 62a_100000211926_100000693364 [1,0,0,0,0,0|2,0,1]=4 478 B10R1.17 OCCSC1CCOCC1 62a_100000211926_100011324220 [1,0,0,0,0,0|2,0,1]=4 479 B10R1.17 OCCSC1CCSCC1 62a_100000211926_100000069128 [1,0,0,0,0,0|2,0,1]=4 480 B10R1.17 [13CH3]NCCC1CCCCC1 2230a_100000738074_200025704644 [1,0,0,0,0,0|2,0,0]=3 481 B10R1.17 [13CH3]NCCC1CCCCC1 34a_100000738074_200025704644 [1,0,0,0,0,0|2,0,0]=3 482 B10R1.17 [13CH3]NCCC1CCCCO1 2230a_100015183643_200025704644 [1,0,0,0,0,0|3,0,0]=4 483 B10R1.17 [13CH3]NCCC1CCCCO1 34a_100015183643_200025704644 [1,0,0,0,0,0|3,0,0]=4 484 B10R1.17 [13CH3]NCCC1CCOCC1 2230a_100000755988_200025704644 [1,0,0,0,0,0|3,0,0]=4 485 B10R1.17 [13CH3]NCCC1CCOCC1 34a_100000755988_200025704644 [1,0,0,0,0,0|3,0,0]=4 486 B10R1.17 [13CH3]OCCC1CCCCC1 34a_100011217863_200025704644 [1,0,0,0,0,0|2,0,0]=3 487 B10R1.17 [13CH3]OCCC1CCCCC1 7a_100011217863_200025704644 [1,0,0,0,0,0|2,0,0]=3 488 B10R1.17 [13CH3]OCCC1CCCCN1 34a_100000211664_200025704644 [1,0,0,0,0,0|3,0,0]=4 489 B10R1.17 [13CH3]OCCC1CCCNC1 34a_100000752241_200025704644 [1,0,0,0,0,0|3,0,0]=4 490 B10R1.17 [13CH3]OCCC1CCNCC1 34a_100015190746_200025704644 [1,0,0,0,0,0|3,0,0]=4 491 B10R1.17 [13CH3]OCCC1CCOCC1 34a_100011933979_200025704644 [1,0,0,0,0,0|3,0,0]=4 492 B10R1.17 [13CH3]OCCC1CCOCC1 7a_100011933979_200025704644 [1,0,0,0,0,0|3,0,0]=4 493 B10R1.17 [13CH3]SCCC1CCCCC1 62a_100012355289_200025704644 [1,0,0,0,0,0|2,0,0]=3 494 B10R1.17 [13CH3]SCCC1CCCCC1 62a_200025704644_100012355289 [1,0,0,0,0,0|2,0,0]=3 495 B10R1.17 [13CH3]SCCC1CCOCC1 62a_100011934994_200025704644 [1,0,0,0,0,0|3,0,0]=4 496 B10R1.17 [13CH3]SCCC1CCOCC1 62a_200025704644_100011934994 [1,0,0,0,0,0|3,0,0]=4 497 B10R1.17 [13CH3]SCCN1CCCCC1 62a_100000739454_200025704644 [1,0,0,0,0,0|3,0,0]=4 498 B10R1.17 [13CH3]SCCN1CCCCC1 62a_200025704644_100000739454 [1,0,0,0,0,0|3,0,0]=4 499 B10R1.17 [13CH3]SCOC1CCCCC1 62a_100011935260_200025704644 [1,0,0,0,0,0|3,0,0]=4 500 B10R1.17 [13CH3]SCOC1CCCCC1 62a_200025704644_100011935260 [1,0,0,0,0,0|3,0,0]=4 501 B12R1.21 C=C(C)CCN1CCC(CC1)C 2230a_100000188429_100000730704 [0,1,0,0,0,0|3,0,0]=4 502 B12R1.21 C=C(C)CCN1CCC(CC1)C 269982a_100000188429_100000730704 [0,1,0,0,0,0|3,0,0]=4 503 B12R1.21 C=C(C)CCN1CCC(CC1)C 34a_100000188429_100000730704 [0,1,0,0,0,0|3,0,0]=4 504 B12R1.21 C=C(C)CCN1CCC(CC1)F 2230a_100015193889_100000730704 [0,1,0,0,0,0|3,0,0]=4 505 B12R1.21 C=C(C)CCN1CCC(CC1)F 269982a_100015193889_100000730704 [0,1,0,0,0,0|3,0,0]=4 506 B12R1.21 C=C(C)CCN1CCC(CC1)F 34a_100015193889_100000730704 [0,1,0,0,0,0|3,0,0]=4 507 B12R1.21 C=C(C)CCN1CCC(CC1)O 2230a_100025773856_100000730704 [0,1,0,0,0,0|3,0,0]=4 508 B12R1.21 C=C(C)CCN1CCC(CC1)O 269982a_100025773856_100000730704 [0,1,0,0,0,0|3,0,0]=4 509 B12R1.21 C=C(C)CN[C@H]1CC[C@@H](CC1)C 2230a_100020625639_100000748629 [0,1,0,0,0,0|3,0,0]=4 510 B12R1.21 C=C(C)CN[C@H]1CC[C@@H](CC1)C 34a_100020625639_100000748629 [0,1,0,0,0,0|3,0,0]=4 511 B12R1.21 C=C(C)COC1CCC(CC1)C 34a_100000210245_200011216234 [0,1,0,0,0,0|3,0,0]=4 512 B12R1.21 C=C(C)COC1CCC(CC1)C 34a_100000210714_100000748629 [0,1,0,0,0,0|3,0,0]=4 513 B12R1.21 C=C(C)COC1CCC(CC1)C 7a_100000210714_100000748629 [0,1,0,0,0,0|3,0,0]=4 514 B12R1.21 C=C(C)CO[C@H]1CC[C@H](CC1)N 34a_100020628982_100000748629 [0,1,0,0,0,0|3,0,0]=4 515 B12R1.21 C=C(C)CSC1CCC(CC1)C 62a_100000748629_200011216234 [0,1,0,0,0,0|3,0,0]=4 516 B12R1.21 C=C(F)CN[C@H]1CC[C@@H](CC1)C 2230a_100020625639_100009893438 [0,1,0,0,0,0|3,0,0]=4 517 B12R1.21 C=C(F)CN[C@H]1CC[C@@H](CC1)C 34a_100020625639_100009893438 [0,1,0,0,0,0|3,0,0]=4 518 B12R1.21 C=C(F)COC1CCC(CC1)C 34a_100000210714_100009893438 [0,1,0,0,0,0|3,0,0]=4 519 B12R1.21 C=C(F)COC1CCC(CC1)C 34a_200010262243_200011216234 [0,1,0,0,0,0|3,0,0]=4 520 B12R1.21 C=C(F)COC1CCC(CC1)C 7a_100000210714_100000042424 [0,1,0,0,0,0|3,0,0]=4 521 B12R1.21 C=C(F)CO[C@H]1CC[C@H](CC1)N 34a_100020628982_100009893438 [0,1,0,0,0,0|3,0,0]=4 522 B12R1.21 C=C(F)CSC1CCC(CC1)C 62a_100000042424_200011216234 [0,1,0,0,0,0|3,0,0]=4 523 B12R1.21 C=C1CCN(CC1)CCC(=O)C 269982a_100000752442_100000053229 [0,1,0,0,0,0|2,0,1]=4 524 B12R1.21 C=C1CCN(CC1)CCC(=O)N 2230a_100000752442_100000744528 [0,1,0,0,0,0|2,0,1]=4 525 B12R1.21 C=C1CCN(CC1)CCC(=O)N 269982a_100000752442_100000744528 [0,1,0,0,0,0|2,0,1]=4 526 B12R1.21 C=C1CCN(CC1)CCC(=O)N 34a_100000752442_100000731001 [0,1,0,0,0,0|2,0,1]=4 527 B12R1.21 CC(=O)CCN1CCC(CC1)C 1458a_100000740328_200000210301 [0,1,0,0,0,0|2,0,0]=3 528 B12R1.21 CC(=O)CCN1CCC(CC1)C 269982a_100000188429_100000053229 [0,1,0,0,0,0|2,0,0]=3 529 B12R1.21 CC(=O)CCN1CCC(CC1)F 269982a_100015193889_100000053229 [0,1,0,0,0,0|2,0,0]=3 530 B12R1.21 CC(=O)CCN1CCC(CC1)O 269982a_100025773856_100000053229 [0,1,0,0,0,0|2,0,0]=3 531 B12R1.21 CC(=O)CCN1CCN(CC1)C 1458a_100000070787_100000694902 [0,1,0,0,0,0|3,0,0]=4 532 B12R1.21 CC(=O)CCN1CCN(CC1)C 1458a_100020627268_200000210301 [0,1,0,0,0,0|3,0,0]=4 533 B12R1.21 CC(=O)CCN1CCN(CC1)C 269982a_100000188432_100000053229 [0,1,0,0,0,0|3,0,0]=4 534 B12R1.21 CC(=O)CCN1CCS(=O)CC1 269982a_100000752083_100000053229 [0,1,0,0,0,0|3,0,0]=4 535 B12R1.21 CC(=O)COC1CCC(CC1)C 34a_100000211253_200011216234 [0,1,0,0,0,0|2,0,0]=3 536 B12R1.21 CC(=O)NCC1CCC(CC1)C 11a_103436935547_100015343762 [0,1,0,0,0,0|2,0,0]=3 537 B12R1.21 CC(=O)NCC1CCC(CC1)C 1626a_103436935547_100015343762 [0,1,0,0,0,0|2,0,0]=3 538 B12R1.21 CC(=O)NCC1CCC(CC1)C 240690a_103436935547_100015343762 [0,1,0,0,0,0|2,0,0]=3 539 B12R1.21 CC(=O)NCC1CCC(CC1)C 527a_103436935547_100103153847 [0,1,0,0,0,0|2,0,0]=3 540 B12R1.21 CC(=O)NCC1CCN(CC1)C 2230a_100011206997_200000210301 [0,1,0,0,0,0|3,0,0]=4 541 B12R1.21 CC(=O)NCC1CCN(CC1)C 240690a_100000746316_100015343762 [0,1,0,0,0,0|3,0,0]=4 542 B12R1.21 CC(=O)NCC1CCN(CC1)C 269982a_100011206997_200000210301 [0,1,0,0,0,0|3,0,0]=4 543 B12R1.21 CC(=O)NCC1CCN(CC1)C 34a_100011206997_200000210301 [0,1,0,0,0,0|3,0,0]=4 544 B12R1.21 CC(=O)NCC1CCN(CC1)C 527a_100000746316_100103153847 [0,1,0,0,0,0|3,0,0]=4 545 B12R1.21 CC(=O)NCC1CCN(CC1)[13CH3] 2230a_100011206997_200025704644 [0,1,0,0,0,0|3,0,0]=4 546 B12R1.21 CC(=O)NCC1CCN(CC1)[13CH3] 269982a_100011206997_200025704644 [0,1,0,0,0,0|3,0,0]=4 547 B12R1.21 CC(=O)NCC1CCN(CC1)[13CH3] 34a_100011206997_200025704644 [0,1,0,0,0,0|3,0,0]=4 548 B12R1.21 CC(=O)OCC1CCN(CC1)C 2230a_100025751628_200000210301 [0,1,0,0,0,0|3,0,0]=4 549 B12R1.21 CC(=O)OCC1CCN(CC1)C 269982a_100025751628_200000210301 [0,1,0,0,0,0|3,0,0]=4 550 B12R1.21 CC(=O)OCC1CCN(CC1)[13CH3] 2230a_100025751628_200025704644 [0,1,0,0,0,0|3,0,0]=4 551 B12R1.21 CC(=O)OCC1CCN(CC1)[13CH3] 269982a_100025751628_200025704644 [0,1,0,0,0,0|3,0,0]=4 552 B12R1.21 CC(=O)OCN1CCC(CC1)C 269982a_100000188429_100000076356 [0,1,0,0,0,0|3,0,0]=4 553 B12R1.21 CC(=O)OCN1CCC(CC1)C 34a_100000188429_100009813279 [0,1,0,0,0,0|3,0,0]=4 554 B12R1.21 CC(=O)OCN1CCC(CC1)F 269982a_100015193889_100000076356 [0,1,0,0,0,0|3,0,0]=4 555 B12R1.21 CC(=O)OCN1CCC(CC1)F 34a_100015193889_100009813279 [0,1,0,0,0,0|3,0,0]=4 556 B12R1.21 CC(=O)OCN1CCC(CC1)O 269982a_100025773856_100000076356 [0,1,0,0,0,0|3,0,0]=4 557 B12R1.21 CC(O)CCN1CCC(CC1)C 2230a_100000188429_100012276601 [0,1,0,0,0,0|2,0,1]=4 558 B12R1.21 CC(O)CCN1CCC(CC1)C 269982a_100000188429_100012276601 [0,1,0,0,0,0|2,0,1]=4 559 B12R1.21 CC(O)CCN1CCC(CC1)C 34a_100000188429_100012276601 [0,1,0,0,0,0|2,0,1]=4 560 B12R1.21 CC(O)CCN1CCC(CC1)F 2230a_100015193889_100012276601 [0,1,0,0,0,0|2,0,1]=4 561 B12R1.21 CC(O)CCN1CCC(CC1)F 269982a_100015193889_100012276601 [0,1,0,0,0,0|2,0,1]=4 562 B12R1.21 CC(O)CCN1CCC(CC1)F 34a_100015193889_100012276601 [0,1,0,0,0,0|2,0,1]=4 563 B12R1.21 CC(O)CCN1CCC(CC1)O 2230a_100025773856_100012276601 [0,1,0,0,0,0|2,0,1]=4 564 B12R1.21 CC(O)CCN1CCC(CC1)O 269982a_100025773856_100012276601 [0,1,0,0,0,0|2,0,1]=4 565 B12R1.21 CC(O)CNC1CCC(CC1)C 270004a_100000210904_100000185489 [0,1,0,0,0,0|2,0,1]=4 566 B12R1.21 CC(O)CNC1CCC(CC1)C 34a_100000210904_200011216234 [0,1,0,0,0,0|2,0,1]=4 567 B12R1.21 CC(O)CNC1CCC(CC1)O 270004a_100000210904_100000764474 [0,1,0,0,0,0|2,0,1]=4 568 B12R1.21 CC(O)CN[C@H]1CC[C@@H](CC1)C 2230a_100020625639_100011218427 [0,1,0,0,0,0|2,0,1]=4 569 B12R1.21 CC(O)CN[C@H]1CC[C@@H](CC1)C 34a_100020625639_100011218427 [0,1,0,0,0,0|2,0,1]=4 570 B12R1.21 CC(O)COC1CCC(CC1)C 34a_100000210714_100011218427 [0,1,0,0,0,0|2,0,1]=4 571 B12R1.21 CC(O)COC1CCC(CC1)C 7a_100000210714_100011218427 [0,1,0,0,0,0|2,0,1]=4 572 B12R1.21 CC(O)CO[C@H]1CC[C@H](CC1)N 34a_100020628982_100011218427 [0,1,0,0,0,0|2,0,1]=4 573 B12R1.21 CC(O)CSC1CCC(CC1)C 62a_100011218427_200011216234 [0,1,0,0,0,0|2,0,1]=4 574 B12R1.21 CC1CCC(CC1)NCC(=O)O 269956a_100016091260_200011216234 [0,1,0,0,0,0|1,0,0]=2 575 B12R1.21 CC1CCC(CC1)OCC(=O)N 34a_100000210714_100000187820 [0,1,0,0,0,0|2,0,0]=3 576 B12R1.21 CC1CCC(CC1)OCC(=O)N 7a_100000210714_100000187820 [0,1,0,0,0,0|2,0,0]=3 577 B12R1.21 CC1CCC(CC1)OCC(=O)[O-] 34a_100000210714_100020667443 [0,1,0,0,0,0|1,0,1]=3 578 B12R1.21 CC1CCC(CC1)OC[C@@H](C)O 34a_100000210714_100009817552 [0,1,0,0,0,0|2,0,1]=4 579 B12R1.21 CC1CCC(CC1)OC[C@@H](C)O 7a_100000210714_100009817552 [0,1,0,0,0,0|2,0,1]=4 580 B12R1.21 CC1CCC(CC1)OC[N+](=O)[O-] 34a_100000210714_100000761209 [0,1,0,0,0,0|2,0,1]=4 581 B12R1.21 CC1CCC(CC1)SCC(=O)N 62a_100000747473_200011216234 [0,1,0,0,0,0|2,0,0]=3 582 B12R1.21 CC1CCC(CC1)SCC(=O)[O-] 62a_100020667443_200011216234 [0,1,0,0,0,0|1,0,1]=3 583 B12R1.21 CC1CCC(CC1)SC[C@@H](C)O 62a_100009817552_200011216234 [0,1,0,0,0,0|2,0,1]=4 584 B12R1.21 CC1CCN(CC1)CCC(=O)N 2230a_100000188429_100000744528 [0,1,0,0,0,0|2,0,0]=3 585 B12R1.21 CC1CCN(CC1)CCC(=O)N 269982a_100000188429_100000744528 [0,1,0,0,0,0|2,0,0]=3 586 B12R1.21 CC1CCN(CC1)CCC(=O)N 34a_100000188429_100000731001 [0,1,0,0,0,0|2,0,0]=3 587 B12R1.21 CC1CCN(CC1)CCC(=O)[13CH3] 1458a_100000740328_200025704644 [0,1,0,0,0,0|2,0,0]=3 588 B12R1.21 CN1CCC(CC1)CCC(=O)N 2230a_100015183425_200000210301 [0,1,0,0,0,0|2,0,0]=3 589 B12R1.21 CN1CCC(CC1)CCC(=O)N 34a_100015183425_200000210301 [0,1,0,0,0,0|2,0,0]=3 590 B12R1.21 CN1CCC(CC1)NCC(=O)O 269956a_100016091260_100011215917 [0,1,0,0,0,0|2,0,0]=3 591 B12R1.21 CN1CCC(CC1)OCC(=O)N 2230a_100000765839_200000210301 [0,1,0,0,0,0|3,0,0]=4 592 B12R1.21 CN1CCC(CC1)OCC(=O)N 269982a_100000765839_200000210301 [0,1,0,0,0,0|3,0,0]=4 593 B12R1.21 CN1CCC(CC1)OCC(=O)N 34a_100000765839_200000210301 [0,1,0,0,0,0|3,0,0]=4 594 B12R1.21 CN1CCC(CC1)SCC(=O)N 62a_100000747473_100011215917 [0,1,0,0,0,0|3,0,0]=4 595 B12R1.21 CN1CCC(CC1)SCC(=O)[O-] 62a_100020667443_100011215917 [0,1,0,0,0,0|2,0,1]=4 596 B12R1.21 CN1CCN(CC1)CCC(=O)N 2230a_100000188432_100000744528 [0,1,0,0,0,0|3,0,0]=4 597 B12R1.21 CN1CCN(CC1)CCC(=O)N 2230a_114929131469_200000210301 [0,1,0,0,0,0|3,0,0]=4 598 B12R1.21 CN1CCN(CC1)CCC(=O)N 269982a_100000188432_100000744528 [0,1,0,0,0,0|3,0,0]=4 599 B12R1.21 CN1CCN(CC1)CCC(=O)N 269982a_114929131469_200000210301 [0,1,0,0,0,0|3,0,0]=4 600 B12R1.21 CN1CCN(CC1)CCC(=O)[13CH3] 1458a_100020627268_200025704644 [0,1,0,0,0,0|3,0,0]=4 601 B12R1.21 C[C@@H](O)CN[C@H]1CC[C@@H](CC1)C 2230a_100020625639_100009817552 [0,1,0,0,0,0|2,0,1]=4 602 B12R1.21 C[C@@H](O)CN[C@H]1CC[C@@H](CC1)C 34a_100020625639_100009817552 [0,1,0,0,0,0|2,0,1]=4 603 B12R1.21 C[C@@H](O)CO[C@H]1CC[C@H](CC1)N 34a_100020628982_100009817552 [0,1,0,0,0,0|2,0,1]=4 604 B12R1.21 C[C@H]1CC[C@@H](CC1)NCC(=O)N 2230a_100020625639_100000747473 [0,1,0,0,0,0|2,0,0]=3 605 B12R1.21 C[C@H]1CC[C@@H](CC1)NCC(=O)N 34a_100020625639_100000187820 [0,1,0,0,0,0|2,0,0]=3 606 B12R1.21 C[C@H]1CC[C@@H](CC1)NCC(=O)[O-] 34a_100020625639_100020667443 [0,1,0,0,0,0|1,0,1]=3 607 B12R1.21 C[C@H]1CC[C@@H](CC1)NC[N+](=O)[O-] 34a_100020625639_100000761209 [0,1,0,0,0,0|2,0,1]=4 608 B12R1.21 NC(=O)CCN1CCC(CC1)F 2230a_100015193889_100000744528 [0,1,0,0,0,0|2,0,0]=3 609 B12R1.21 NC(=O)CCN1CCC(CC1)F 269982a_100015193889_100000744528 [0,1,0,0,0,0|2,0,0]=3 610 B12R1.21 NC(=O)CCN1CCC(CC1)F 34a_100015193889_100000731001 [0,1,0,0,0,0|2,0,0]=3 611 B12R1.21 NC(=O)CCN1CCC(CC1)O 2230a_100025773856_100000744528 [0,1,0,0,0,0|2,0,0]=3 612 B12R1.21 NC(=O)CCN1CCC(CC1)O 269982a_100025773856_100000744528 [0,1,0,0,0,0|2,0,0]=3 613 B12R1.21 NC(=O)CCN1CCS(=O)CC1 2230a_100000752083_100000744528 [0,1,0,0,0,0|3,0,0]=4 614 B12R1.21 NC(=O)CCN1CCS(=O)CC1 269982a_100000752083_100000744528 [0,1,0,0,0,0|3,0,0]=4 615 B12R1.21 NC(=O)COC1CCC(=O)CC1 34a_100000764474_100000187820 [0,1,0,0,0,0|2,0,1]=4 616 B12R1.21 NC(=O)COC1CCC(=O)CC1 7a_100000764474_100000187820 [0,1,0,0,0,0|2,0,1]=4 617 B12R1.21 NC(=O)CO[C@H]1CC[C@H](CC1)N 34a_100020628982_100000187820 [0,1,0,0,0,0|2,0,0]=3 618 B12R1.21 N[C@H]1CC[C@H](CC1)OCC(=O)[O-] 34a_100020628982_100020667443 [0,1,0,0,0,0|1,0,1]=3 619 B12R1.21 N[C@H]1CC[C@H](CC1)OC[N+](=O)[O-] 34a_100020628982_100000761209 [0,1,0,0,0,0|2,0,1]=4 620 B12R1.21 O=C([O-])COC1CCC(=O)CC1 34a_100000764474_100020667443 [0,1,0,0,0,0|1,0,2]=4 621 B12R1.21 [13CH3]N1CCC(CC1)CCC(=O)N 2230a_100015183425_200025704644 [0,1,0,0,0,0|2,0,0]=3 622 B12R1.21 [13CH3]N1CCC(CC1)CCC(=O)N 34a_100015183425_200025704644 [0,1,0,0,0,0|2,0,0]=3 623 B12R1.21 [13CH3]N1CCC(CC1)OCC(=O)N 2230a_100000765839_200025704644 [0,1,0,0,0,0|3,0,0]=4 624 B12R1.21 [13CH3]N1CCC(CC1)OCC(=O)N 269982a_100000765839_200025704644 [0,1,0,0,0,0|3,0,0]=4 625 B12R1.21 [13CH3]N1CCC(CC1)OCC(=O)N 34a_100000765839_200025704644 [0,1,0,0,0,0|3,0,0]=4 626 B12R1.21 [13CH3]N1CCN(CC1)CCC(=O)N 2230a_114929131469_200025704644 [0,1,0,0,0,0|3,0,0]=4 627 B12R1.21 [13CH3]N1CCN(CC1)CCC(=O)N 269982a_114929131469_200025704644 [0,1,0,0,0,0|3,0,0]=4 628 B12R1.27 C#CC(=O)CCC1CCCCC1 1458a_100000211873_100011273959 [0,1,0,0,0,0|1,0,0]=2 629 B12R1.27 C#CC(=O)CCC1CCOCC1 1458a_100000211873_100011934994 [0,1,0,0,0,0|2,0,0]=3 630 B12R1.27 C#CC(=O)CCC1OCCCO1 1458a_100000211873_100000764188 [0,1,0,0,0,0|3,0,0]=4 631 B12R1.27 C#CC(=O)CCN1CCCCC1 1458a_100000211873_100000739454 [0,1,0,0,0,0|2,0,0]=3 632 B12R1.27 C#CC(=O)CCN1CCOCC1 1458a_100000211873_100000753993 [0,1,0,0,0,0|3,0,0]=4 633 B12R1.27 C#CC(=O)COC1CCCCC1 1458a_100000211873_100011935260 [0,1,0,0,0,0|2,0,0]=3 634 B12R1.27 C=C(C#N)CNC1CCCCC1 2230a_100000182618_100000694840 [0,1,0,0,0,0|3,0,0]=4 635 B12R1.27 C=C(C#N)CNC1CCCCC1 34a_100000182618_100000694840 [0,1,0,0,0,0|3,0,0]=4 636 B12R1.27 C=C(C#N)COC1CCCCC1 34a_100000210231_100000694840 [0,1,0,0,0,0|3,0,0]=4 637 B12R1.27 C=C(C#N)CSC1CCCCC1 62a_100000210327_100000694840 [0,1,0,0,0,0|3,0,0]=4 638 B12R1.27 C=CC(=O)CCC1CCCCC1 1458a_100000185746_100011273959 [0,1,0,0,0,0|1,0,0]=2 639 B12R1.27 C=CC(=O)CCC1CCOCC1 1458a_100000185746_100011934994 [0,1,0,0,0,0|2,0,0]=3 640 B12R1.27 C=CC(=O)CCC1OCCCO1 1458a_100000185746_100000764188 [0,1,0,0,0,0|3,0,0]=4 641 B12R1.27 C=CC(=O)CCN1CCCCC1 1458a_100000185746_100000739454 [0,1,0,0,0,0|2,0,0]=3 642 B12R1.27 C=CC(=O)CCN1CCOCC1 1458a_100000185746_100000753993 [0,1,0,0,0,0|3,0,0]=4 643 B12R1.27 C=CC(=O)COC1CCCCC1 1458a_100000185746_100011935260 [0,1,0,0,0,0|2,0,0]=3 644 B12R1.27 C=CC(=O)NCC1CCCCC1 1626a_100000210473_100000185746 [0,1,0,0,0,0|2,0,0]=3 645 B12R1.27 C=CC(=O)NCC1CCCCC1 240690a_100000210473_200121576911 [0,1,0,0,0,0|2,0,0]=3 646 B12R1.27 C=CC(=O)NCC1CCCCO1 1626a_100000174945_100000185746 [0,1,0,0,0,0|3,0,0]=4 647 B12R1.27 C=CC(=O)NCC1CCCCO1 240690a_100000174945_200121576911 [0,1,0,0,0,0|3,0,0]=4 648 B12R1.27 C=CC(=O)NCC1CCCOC1 1626a_100000720124_100000185746 [0,1,0,0,0,0|3,0,0]=4 649 B12R1.27 C=CC(=O)NCC1CCCOC1 240690a_100000720124_200121576911 [0,1,0,0,0,0|3,0,0]=4 650 B12R1.27 C=CC(=O)NCC1CCOCC1 1626a_100000746373_100000185746 [0,1,0,0,0,0|3,0,0]=4 651 B12R1.27 C=CC(=O)NCC1CCOCC1 240690a_100000746373_200121576911 [0,1,0,0,0,0|3,0,0]=4 652 B12R1.27 C=CC(=O)NCC1CCSCC1 240690a_100015188806_200121576911 [0,1,0,0,0,0|3,0,0]=4 653 B12R1.27 C=CC(=O)NNC1CCCCC1 22a_100000709804_100000185746 [0,1,0,0,0,0|3,0,0]=4 654 B12R1.27 C=CC(O)CNC1CCCCC1 2230a_100000182618_100000730141 [0,1,0,0,0,0|2,0,1]=4 655 B12R1.27 C=CC(O)CNC1CCCCC1 34a_100000182618_100000730141 [0,1,0,0,0,0|2,0,1]=4 656 B12R1.27 C=CC(O)COC1CCCCC1 34a_100000210231_100000730141 [0,1,0,0,0,0|2,0,1]=4 657 B12R1.27 C=CC(O)COC1CCCCC1 7a_100000210231_100000730141 [0,1,0,0,0,0|2,0,1]=4 658 B12R1.27 C=CC(O)CSC1CCCCC1 62a_100000210327_100000730141 [0,1,0,0,0,0|2,0,1]=4 659 B12R1.27 C=CC(O)CSC1CCCCC1 62a_100000730141_100000210327 [0,1,0,0,0,0|2,0,1]=4 660 B12R1.27 CC(=NNC1CCCCC1)CO 4a_100000709804_100000211253 [0,1,0,0,0,0|3,0,0]=4 661 B12R1.27 CC(CNC1CCCCC1)O[13CH3] 34a_100000202029_200025704644 [0,1,0,0,0,0|2,0,1]=4 662 B12R1.27 CC(CO)CNC1CCCCC1 34a_100000744482_100000210327 [0,1,0,0,0,0|2,0,1]=4 663 B12R1.27 CC(CO)NCC1CCCCC1 2230a_100000210473_100012180447 [0,1,0,0,0,0|2,0,1]=4 664 B12R1.27 CC(CO)NCC1CCCCC1 34a_100000210473_100012180447 [0,1,0,0,0,0|2,0,1]=4 665 B12R1.27 CC(CO)OCC1CCCCC1 34a_100000212181_100012180447 [0,1,0,0,0,0|2,0,1]=4 666 B12R1.27 CC(CO)OCC1CCCCC1 7a_100000212181_100012180447 [0,1,0,0,0,0|2,0,1]=4 667 B12R1.27 CC(CO)SCC1CCCCC1 62a_100012180447_100000211423 [0,1,0,0,0,0|2,0,1]=4 668 B12R1.27 CCC(=O)C=CC1CCCCC1 1458a_100102566626_100000210202 [0,1,0,0,0,0|1,0,2]=4 669 B12R1.27 CCC(=O)CCC1CCCCC1 1458a_100000210414_100011273959 [0,1,0,0,0,0|1,0,0]=2 670 B12R1.27 CCC(=O)CCC1CCCCC1 1458a_100000211375_100000210202 [0,1,0,0,0,0|1,0,0]=2 671 B12R1.27 CCC(=O)CCC1CCOCC1 1458a_100000210414_100011934994 [0,1,0,0,0,0|2,0,0]=3 672 B12R1.27 CCC(=O)CCC1OCCCO1 1458a_100000210414_100000764188 [0,1,0,0,0,0|3,0,0]=4 673 B12R1.27 CCC(=O)CCN1CCCCC1 1458a_100000210414_100000739454 [0,1,0,0,0,0|2,0,0]=3 674 B12R1.27 CCC(=O)CCN1CCCCC1 1458a_100000743487_100000210202 [0,1,0,0,0,0|2,0,0]=3 675 B12R1.27 CCC(=O)CCN1CCCCO1 1458a_200015184090_100000210202 [0,1,0,0,0,0|3,0,0]=4 676 B12R1.27 CCC(=O)CCN1CCOCC1 1458a_100000210414_100000753993 [0,1,0,0,0,0|3,0,0]=4 677 B12R1.27 CCC(=O)CCN1CCOCC1 1458a_100000749337_100000210202 [0,1,0,0,0,0|3,0,0]=4 678 B12R1.27 CCC(=O)COC1CCCCC1 1458a_100000210414_100011935260 [0,1,0,0,0,0|2,0,0]=3 679 B12R1.27 CCC(=O)COC1CCCCC1 1458a_100011223303_100000210202 [0,1,0,0,0,0|2,0,0]=3 680 B12R1.27 CCC(=O)COC1CCCCC1 34a_100000725409_100000210327 [0,1,0,0,0,0|2,0,0]=3 681 B12R1.27 CCC(=O)COC1CCCCC1 7a_100000210231_100000747405 [0,1,0,0,0,0|2,0,0]=3 682 B12R1.27 CCC(=O)COC1CCCOC1 34a_100000725409_100000693364 [0,1,0,0,0,0|3,0,0]=4 683 B12R1.27 CCC(=O)COC1CCCSC1 7a_100015962668_100000747405 [0,1,0,0,0,0|3,0,0]=4 684 B12R1.27 CCC(=O)COC1CCSCC1 34a_100000725409_100000069128 [0,1,0,0,0,0|3,0,0]=4 685 B12R1.27 CCC(=O)COC1CCSCC1 7a_100000731022_100000747405 [0,1,0,0,0,0|3,0,0]=4 686 B12R1.27 CCC(=O)CSC1CCCCC1 62a_100000210327_100000747405 [0,1,0,0,0,0|2,0,0]=3 687 B12R1.27 CCC(=O)CSC1CCCCC1 62a_100000747405_100000210327 [0,1,0,0,0,0|2,0,0]=3 688 B12R1.27 CCC(=O)CSC1CCCOC1 62a_100000747405_100000693364 [0,1,0,0,0,0|3,0,0]=4 689 B12R1.27 CCC(=O)CSC1CCOCC1 62a_100000747405_100011324220 [0,1,0,0,0,0|3,0,0]=4 690 B12R1.27 CCC(=O)CSC1CCSCC1 62a_100000747405_100000069128 [0,1,0,0,0,0|3,0,0]=4 691 B12R1.27 CCC(=O)NCC1CCCCC1 11a_100000210473_100000210414 [0,1,0,0,0,0|2,0,0]=3 692 B12R1.27 CCC(=O)NCC1CCCCC1 1626a_100000210473_100000210414 [0,1,0,0,0,0|2,0,0]=3 693 B12R1.27 CCC(=O)NCC1CCCCC1 240690a_100000210473_100000210414 [0,1,0,0,0,0|2,0,0]=3 694 B12R1.27 CCC(=O)NCC1CCCCC1 527a_100000210473_100000210414 [0,1,0,0,0,0|2,0,0]=3 695 B12R1.27 CCC(=O)NCC1CCCCO1 11a_100000174945_100000210414 [0,1,0,0,0,0|3,0,0]=4 696 B12R1.27 CCC(=O)NCC1CCCCO1 1626a_100000174945_100000210414 [0,1,0,0,0,0|3,0,0]=4 697 B12R1.27 CCC(=O)NCC1CCCCO1 240690a_100000174945_100000210414 [0,1,0,0,0,0|3,0,0]=4 698 B12R1.27 CCC(=O)NCC1CCCCO1 527a_100000174945_100000210414 [0,1,0,0,0,0|3,0,0]=4 699 B12R1.27 CCC(=O)NCC1CCCOC1 11a_100000720124_100000210414 [0,1,0,0,0,0|3,0,0]=4 700 B12R1.27 CCC(=O)NCC1CCCOC1 1626a_100000720124_100000210414 [0,1,0,0,0,0|3,0,0]=4 701 B12R1.27 CCC(=O)NCC1CCCOC1 240690a_100000720124_100000210414 [0,1,0,0,0,0|3,0,0]=4 702 B12R1.27 CCC(=O)NCC1CCCOC1 527a_100000720124_100000210414 [0,1,0,0,0,0|3,0,0]=4 703 B12R1.27 CCC(=O)NCC1CCOCC1 11a_100000746373_100000210414 [0,1,0,0,0,0|3,0,0]=4 704 B12R1.27 CCC(=O)NCC1CCOCC1 1626a_100000746373_100000210414 [0,1,0,0,0,0|3,0,0]=4 705 B12R1.27 CCC(=O)NCC1CCOCC1 240690a_100000746373_100000210414 [0,1,0,0,0,0|3,0,0]=4 706 B12R1.27 CCC(=O)NCC1CCOCC1 527a_100000746373_100000210414 [0,1,0,0,0,0|3,0,0]=4 707 B12R1.27 CCC(=O)NCC1CCSCC1 11a_100015188806_100000210414 [0,1,0,0,0,0|3,0,0]=4 708 B12R1.27 CCC(=O)NCC1CCSCC1 240690a_100015188806_100000210414 [0,1,0,0,0,0|3,0,0]=4 709 B12R1.27 CCC(=O)NCC1CCSCC1 527a_100015188806_100000210414 [0,1,0,0,0,0|3,0,0]=4 710 B12R1.27 CCC(=O)NNC1CCCCC1 22a_100000709804_100000210414 [0,1,0,0,0,0|3,0,0]=4 711 B12R1.27 CCC(O)CNC1CCCCC1 2230a_100000182618_100011218378 [0,1,0,0,0,0|2,0,1]=4 712 B12R1.27 CCC(O)CNC1CCCCC1 270004a_100011218483_100000210434 [0,1,0,0,0,0|2,0,1]=4 713 B12R1.27 CCC(O)CNC1CCCCC1 34a_100000182618_100011218378 [0,1,0,0,0,0|2,0,1]=4 714 B12R1.27 CCC(O)COC1CCCCC1 34a_100000210231_100011218378 [0,1,0,0,0,0|2,0,1]=4 715 B12R1.27 CCC(O)COC1CCCCC1 7a_100000210231_100011218378 [0,1,0,0,0,0|2,0,1]=4 716 B12R1.27 CCC(O)CSC1CCCCC1 62a_100000210327_100011218378 [0,1,0,0,0,0|2,0,1]=4 717 B12R1.27 CCC(O)CSC1CCCCC1 62a_100011218378_100000210327 [0,1,0,0,0,0|2,0,1]=4 718 B12R1.27 CCN(C)CCC1CCCCC1 2230a_100000225621_100012355289 [0,1,0,0,0,0|3,0,0]=4 719 B12R1.27 CCN(C)CCC1CCCCC1 269982a_100000225621_100011273959 [0,1,0,0,0,0|3,0,0]=4 720 B12R1.27 CNC(=O)C=CC1CCCCC1 11a_106832991635_100102566626 [0,1,0,0,0,0|1,0,2]=4 721 B12R1.27 CNC(=O)C=CC1CCCCC1 1626a_100102657272_100102566626 [0,1,0,0,0,0|1,0,2]=4 722 B12R1.27 CNC(=O)C=CC1CCCCC1 240690a_100102657272_100102566626 [0,1,0,0,0,0|1,0,2]=4 723 B12R1.27 CNC(=O)CCC1CCCCC1 11a_106832991635_100000211375 [0,1,0,0,0,0|1,0,0]=2 724 B12R1.27 CNC(=O)CCC1CCCCC1 1626a_100102657272_100000211375 [0,1,0,0,0,0|1,0,0]=2 725 B12R1.27 CNC(=O)CCC1CCCCC1 240690a_100102657272_100000211375 [0,1,0,0,0,0|1,0,0]=2 726 B12R1.27 CNC(=O)CCC1CCCCC1 527a_100102657272_100000211375 [0,1,0,0,0,0|1,0,0]=2 727 B12R1.27 CNC(=O)CCN1CCCCC1 240690a_100102657272_100000743487 [0,1,0,0,0,0|2,0,0]=3 728 B12R1.27 CNC(=O)CCN1CCCCO1 240690a_100102657272_200015184090 [0,1,0,0,0,0|3,0,0]=4 729 B12R1.27 CNC(=O)CCN1CCCOC1 2230a_100000131196_100000737683 [0,1,0,0,0,0|3,0,0]=4 730 B12R1.27 CNC(=O)CCN1CCCOC1 269982a_100000131196_100000737683 [0,1,0,0,0,0|3,0,0]=4 731 B12R1.27 CNC(=O)CCN1CCCOC1 34a_100000131196_100012179268 [0,1,0,0,0,0|3,0,0]=4 732 B12R1.27 CNC(=O)CCN1CCOCC1 2230a_100015191051_100000737683 [0,1,0,0,0,0|3,0,0]=4 733 B12R1.27 CNC(=O)CCN1CCOCC1 240690a_100102657272_100000749337 [0,1,0,0,0,0|3,0,0]=4 734 B12R1.27 CNC(=O)CCN1CCOCC1 269982a_100015191051_100000737683 [0,1,0,0,0,0|3,0,0]=4 735 B12R1.27 CNC(=O)CCN1CCOCC1 34a_100015191051_100012179268 [0,1,0,0,0,0|3,0,0]=4 736 B12R1.27 CNC(=O)CCN1CCOCC1 527a_100102657272_100000749337 [0,1,0,0,0,0|3,0,0]=4 737 B12R1.27 CNC(=O)CCN1CCSCC1 2230a_100000737611_100000737683 [0,1,0,0,0,0|3,0,0]=4 738 B12R1.27 CNC(=O)CCN1CCSCC1 269982a_100000737611_100000737683 [0,1,0,0,0,0|3,0,0]=4 739 B12R1.27 CNC(=O)CNC1CCCCC1 2230a_100000182618_100000183359 [0,1,0,0,0,0|2,0,0]=3 740 B12R1.27 CNC(=O)CNC1CCCCC1 270004a_100000693194_100000210434 [0,1,0,0,0,0|2,0,0]=3 741 B12R1.27 CNC(=O)CNC1CCCCC1 34a_100000182618_100000183359 [0,1,0,0,0,0|2,0,0]=3 742 B12R1.27 CNC(=O)CNC1CCCOC1 2230a_100000719290_100000183359 [0,1,0,0,0,0|3,0,0]=4 743 B12R1.27 CNC(=O)CNC1CCCOC1 270004a_100000693194_100000753404 [0,1,0,0,0,0|3,0,0]=4 744 B12R1.27 CNC(=O)CNC1CCCOC1 34a_100000719290_100000183359 [0,1,0,0,0,0|3,0,0]=4 745 B12R1.27 CNC(=O)CNC1CCCSC1 270004a_100000693194_100000057913 [0,1,0,0,0,0|3,0,0]=4 746 B12R1.27 CNC(=O)CNC1CCNCC1 270004a_100000693194_100015192401 [0,1,0,0,0,0|3,0,0]=4 747 B12R1.27 CNC(=O)CNC1CCOCC1 2230a_100000741149_100000183359 [0,1,0,0,0,0|3,0,0]=4 748 B12R1.27 CNC(=O)CNC1CCOCC1 270004a_100000693194_100011217826 [0,1,0,0,0,0|3,0,0]=4 749 B12R1.27 CNC(=O)CNC1CCOCC1 34a_100000741149_100000183359 [0,1,0,0,0,0|3,0,0]=4 750 B12R1.27 CNC(=O)CNC1CCSCC1 2230a_100000748639_100000183359 [0,1,0,0,0,0|3,0,0]=4 751 B12R1.27 CNC(=O)CNC1CCSCC1 270004a_100000693194_100000203788 [0,1,0,0,0,0|3,0,0]=4 752 B12R1.27 CNC(=O)CNC1CCSCC1 34a_100000748639_100000183359 [0,1,0,0,0,0|3,0,0]=4 753 B12R1.27 CNC(=O)COC1CCCCC1 11a_106832991635_100011223303 [0,1,0,0,0,0|2,0,0]=3 754 B12R1.27 CNC(=O)COC1CCCCC1 1626a_100102657272_100011223303 [0,1,0,0,0,0|2,0,0]=3 755 B12R1.27 CNC(=O)COC1CCCCC1 240690a_100102657272_100011223303 [0,1,0,0,0,0|2,0,0]=3 756 B12R1.27 CNC(=O)COC1CCCCC1 34a_100000210231_100000183359 [0,1,0,0,0,0|2,0,0]=3 757 B12R1.27 CNC(=O)COC1CCCCC1 34a_100000750040_100000210327 [0,1,0,0,0,0|2,0,0]=3 758 B12R1.27 CNC(=O)COC1CCCCC1 527a_100102657272_100011223303 [0,1,0,0,0,0|2,0,0]=3 759 B12R1.27 CNC(=O)COC1CCCCC1 7a_100000210231_100000183359 [0,1,0,0,0,0|2,0,0]=3 760 B12R1.27 CNC(=O)COC1CCCCO1 34a_100000033831_100000183359 [0,1,0,0,0,0|3,0,0]=4 761 B12R1.27 CNC(=O)COC1CCCOC1 34a_100000750040_100000693364 [0,1,0,0,0,0|3,0,0]=4 762 B12R1.27 CNC(=O)COC1CCCOC1 34a_100000754041_100000183359 [0,1,0,0,0,0|3,0,0]=4 763 B12R1.27 CNC(=O)COC1CCCSC1 7a_100015962668_100000183359 [0,1,0,0,0,0|3,0,0]=4 764 B12R1.27 CNC(=O)COC1CCOCC1 34a_100000744328_100000183359 [0,1,0,0,0,0|3,0,0]=4 765 B12R1.27 CNC(=O)COC1CCSCC1 34a_100000731022_100000183359 [0,1,0,0,0,0|3,0,0]=4 766 B12R1.27 CNC(=O)COC1CCSCC1 34a_100000750040_100000069128 [0,1,0,0,0,0|3,0,0]=4 767 B12R1.27 CNC(=O)COC1CCSCC1 7a_100000731022_100000183359 [0,1,0,0,0,0|3,0,0]=4 768 B12R1.27 CNC(=O)CSC1CCCCC1 62a_100000183359_100000210327 [0,1,0,0,0,0|2,0,0]=3 769 B12R1.27 CNC(=O)CSC1CCCCC1 62a_100000210327_100000183359 [0,1,0,0,0,0|2,0,0]=3 770 B12R1.27 CNC(=O)CSC1CCCOC1 62a_100000183359_100000693364 [0,1,0,0,0,0|3,0,0]=4 771 B12R1.27 CNC(=O)CSC1CCOCC1 62a_100000183359_100011324220 [0,1,0,0,0,0|3,0,0]=4 772 B12R1.27 CNC(=O)CSC1CCSCC1 62a_100000183359_100000069128 [0,1,0,0,0,0|3,0,0]=4 773 B12R1.27 CNC(=O)NCC1CCCCC1 2708a_100000210473_106832991635 [0,1,0,0,0,0|2,0,0]=3 774 B12R1.27 CNC(=O)NCC1CCCCC1 2708a_100102657272_100000210473 [0,1,0,0,0,0|2,0,0]=3 775 B12R1.27 CNC(=O)NCC1CCCCC1 273464a_100000210473_100102657272 [0,1,0,0,0,0|2,0,0]=3 776 B12R1.27 CNC(=O)NCC1CCCCC1 273464a_100102657272_100000210473 [0,1,0,0,0,0|2,0,0]=3 777 B12R1.27 CNC(=O)NCC1CCCCC1 512a_106832991638_100000210473 [0,1,0,0,0,0|2,0,0]=3 778 B12R1.27 CNC(=O)NCC1CCCCO1 2708a_100000174945_106832991635 [0,1,0,0,0,0|3,0,0]=4 779 B12R1.27 CNC(=O)NCC1CCCCO1 2708a_100102657272_100000174945 [0,1,0,0,0,0|3,0,0]=4 780 B12R1.27 CNC(=O)NCC1CCCCO1 273464a_100000174945_100102657272 [0,1,0,0,0,0|3,0,0]=4 781 B12R1.27 CNC(=O)NCC1CCCCO1 273464a_100102657272_100000174945 [0,1,0,0,0,0|3,0,0]=4 782 B12R1.27 CNC(=O)NCC1CCCCO1 512a_100000174945_100102657272 [0,1,0,0,0,0|3,0,0]=4 783 B12R1.27 CNC(=O)NCC1CCCCO1 512a_106832991638_100000174945 [0,1,0,0,0,0|3,0,0]=4 784 B12R1.27 CNC(=O)NCC1CCCOC1 2708a_100000720124_106832991635 [0,1,0,0,0,0|3,0,0]=4 785 B12R1.27 CNC(=O)NCC1CCCOC1 2708a_100102657272_100000720124 [0,1,0,0,0,0|3,0,0]=4 786 B12R1.27 CNC(=O)NCC1CCCOC1 273464a_100000720124_100102657272 [0,1,0,0,0,0|3,0,0]=4 787 B12R1.27 CNC(=O)NCC1CCCOC1 273464a_100102657272_100000720124 [0,1,0,0,0,0|3,0,0]=4 788 B12R1.27 CNC(=O)NCC1CCCOC1 512a_100000720124_100102657272 [0,1,0,0,0,0|3,0,0]=4 789 B12R1.27 CNC(=O)NCC1CCCOC1 512a_106832991638_100000720124 [0,1,0,0,0,0|3,0,0]=4 790 B12R1.27 CNC(=O)NCC1CCOCC1 2708a_100000746373_106832991635 [0,1,0,0,0,0|3,0,0]=4 791 B12R1.27 CNC(=O)NCC1CCOCC1 2708a_100102657272_100000746373 [0,1,0,0,0,0|3,0,0]=4 792 B12R1.27 CNC(=O)NCC1CCOCC1 273464a_100000746373_100102657272 [0,1,0,0,0,0|3,0,0]=4 793 B12R1.27 CNC(=O)NCC1CCOCC1 273464a_100102657272_100000746373 [0,1,0,0,0,0|3,0,0]=4 794 B12R1.27 CNC(=O)NCC1CCOCC1 512a_100000746373_100102657272 [0,1,0,0,0,0|3,0,0]=4 795 B12R1.27 CNC(=O)NCC1CCOCC1 512a_106832991638_100000746373 [0,1,0,0,0,0|3,0,0]=4 796 B12R1.27 CNC(=O)NCC1CCSCC1 2708a_100015188806_106832991635 [0,1,0,0,0,0|3,0,0]=4 797 B12R1.27 CNC(=O)NCC1CCSCC1 2708a_100102657272_100015188806 [0,1,0,0,0,0|3,0,0]=4 798 B12R1.27 CNC(=O)NCC1CCSCC1 273464a_100015188806_100102657272 [0,1,0,0,0,0|3,0,0]=4 799 B12R1.27 CNC(=O)NCC1CCSCC1 273464a_100102657272_100015188806 [0,1,0,0,0,0|3,0,0]=4 800 B12R1.27 CNC(=O)NCC1CCSCC1 512a_100015188806_100102657272 [0,1,0,0,0,0|3,0,0]=4 801 B12R1.27 CNC(=O)NCC1CCSCC1 512a_106832991638_100015188806 [0,1,0,0,0,0|3,0,0]=4 802 B12R1.27 CNC(=O)NNC1CCCCC1 273464a_100102657272_100000709804 [0,1,0,0,0,0|3,0,0]=4 803 B12R1.27 COC(=O)CCN1CC=CCC1 2230a_100000698166_100000204255 [0,1,0,0,0,0|1,0,2]=4 804 B12R1.27 COC(=O)CCN1CC=CCC1 269982a_100000698166_100000204255 [0,1,0,0,0,0|1,0,2]=4 805 B12R1.27 COC(=O)CCN1CC=CCC1 34a_100000698166_100000742370 [0,1,0,0,0,0|1,0,2]=4 806 B12R1.27 COC(=O)CCN1CCCOC1 2230a_100000131196_100000204255 [0,1,0,0,0,0|2,0,0]=3 807 B12R1.27 COC(=O)CCN1CCCOC1 269982a_100000131196_100000204255 [0,1,0,0,0,0|2,0,0]=3 808 B12R1.27 COC(=O)CCN1CCCOC1 34a_100000131196_100000742370 [0,1,0,0,0,0|2,0,0]=3 809 B12R1.27 COC(=O)CCN1CCOCC1 2230a_100015191051_100000204255 [0,1,0,0,0,0|2,0,0]=3 810 B12R1.27 COC(=O)CCN1CCOCC1 269982a_100015191051_100000204255 [0,1,0,0,0,0|2,0,0]=3 811 B12R1.27 COC(=O)CCN1CCOCC1 34a_100015191051_100000742370 [0,1,0,0,0,0|2,0,0]=3 812 B12R1.27 COC(=O)CCN1CCSCC1 2230a_100000737611_100000204255 [0,1,0,0,0,0|2,0,0]=3 813 B12R1.27 COC(=O)CCN1CCSCC1 269982a_100000737611_100000204255 [0,1,0,0,0,0|2,0,0]=3 814 B12R1.27 COC(=O)CNC1CCCCC1 2230a_100000182618_100000747449 [0,1,0,0,0,0|1,0,0]=2 815 B12R1.27 COC(=O)CNC1CCCCC1 34a_100000182618_100000747449 [0,1,0,0,0,0|1,0,0]=2 816 B12R1.27 COC(=O)CNC1CCCOC1 2230a_100000719290_100000747449 [0,1,0,0,0,0|2,0,0]=3 817 B12R1.27 COC(=O)CNC1CCCOC1 34a_100000719290_100000747449 [0,1,0,0,0,0|2,0,0]=3 818 B12R1.27 COC(=O)CNC1CCOCC1 2230a_100000741149_100000747449 [0,1,0,0,0,0|2,0,0]=3 819 B12R1.27 COC(=O)CNC1CCOCC1 34a_100000741149_100000747449 [0,1,0,0,0,0|2,0,0]=3 820 B12R1.27 COC(=O)CNC1CCSCC1 2230a_100000748639_100000747449 [0,1,0,0,0,0|2,0,0]=3 821 B12R1.27 COC(=O)CNC1CCSCC1 34a_100000748639_100000747449 [0,1,0,0,0,0|2,0,0]=3 822 B12R1.27 COC(=O)COC1C=CCCC1 34a_100011215024_100000747449 [0,1,0,0,0,0|1,0,2]=4 823 B12R1.27 COC(=O)COC1CC=CCC1 34a_100000073881_100000747449 [0,1,0,0,0,0|1,0,2]=4 824 B12R1.27 COC(=O)COC1CCCCC1 34a_100000210231_100000747449 [0,1,0,0,0,0|1,0,0]=2 825 B12R1.27 COC(=O)COC1CCCCC1 7a_100000210231_100000747449 [0,1,0,0,0,0|1,0,0]=2 826 B12R1.27 COC(=O)COC1CCCCO1 34a_100000033831_100000747449 [0,1,0,0,0,0|2,0,0]=3 827 B12R1.27 COC(=O)COC1CCCOC1 34a_100000754041_100000747449 [0,1,0,0,0,0|2,0,0]=3 828 B12R1.27 COC(=O)COC1CCCSC1 7a_100015962668_100000747449 [0,1,0,0,0,0|2,0,0]=3 829 B12R1.27 COC(=O)COC1CCOCC1 34a_100000744328_100000747449 [0,1,0,0,0,0|2,0,0]=3 830 B12R1.27 COC(=O)COC1CCSCC1 34a_100000731022_100000747449 [0,1,0,0,0,0|2,0,0]=3 831 B12R1.27 COC(=O)COC1CCSCC1 7a_100000731022_100000747449 [0,1,0,0,0,0|2,0,0]=3 832 B12R1.27 COC(=O)CSC1C=CCCC1 62a_100000747449_100000751183 [0,1,0,0,0,0|1,0,2]=4 833 B12R1.27 COC(=O)CSC1C=CCCC1 62a_100000751183_100000747449 [0,1,0,0,0,0|1,0,2]=4 834 B12R1.27 COC(=O)CSC1CCCCC1 62a_100000210327_100000747449 [0,1,0,0,0,0|1,0,0]=2 835 B12R1.27 COC(=O)CSC1CCCCC1 62a_100000747449_100000210327 [0,1,0,0,0,0|1,0,0]=2 836 B12R1.27 COC(=O)CSC1CCCOC1 62a_100000747449_100000693364 [0,1,0,0,0,0|2,0,0]=3 837 B12R1.27 COC(=O)CSC1CCOCC1 62a_100000747449_100011324220 [0,1,0,0,0,0|2,0,0]=3 838 B12R1.27 COC(=O)CSC1CCSCC1 62a_100000747449_100000069128 [0,1,0,0,0,0|2,0,0]=3 839 B12R1.27 COC(C)CNC1CCCCC1 34a_100000202029_200000210301 [0,1,0,0,0,0|2,0,1]=4 840 B12R1.27 COC(C)COC1CCCCC1 34a_100000690652_100000210327 [0,1,0,0,0,0|2,0,1]=4 841 B12R1.27 COC(C)SCC1CCCCC1 62a_100000211423_100009879195 [0,1,0,0,0,0|2,0,1]=4 842 B12R1.27 COC(C)SCC1CCCCC1 62a_100009879195_100000211423 [0,1,0,0,0,0|2,0,1]=4 843 B12R1.27 CO[C@H](C)CNC1CCCCC1 270004a_100020591295_100000210434 [0,1,0,0,0,0|2,0,1]=4 844 B12R1.27 C[C@@H](CO)CNC1CCCCC1 2230a_100000182618_100000059175 [0,1,0,0,0,0|2,0,1]=4 845 B12R1.27 C[C@@H](CO)CNC1CCCCC1 34a_100000182618_100000059175 [0,1,0,0,0,0|2,0,1]=4 846 B12R1.27 C[C@@H](CO)COC1CCCCC1 34a_100000210231_100000059175 [0,1,0,0,0,0|2,0,1]=4 847 B12R1.27 C[C@@H](CO)COC1CCCCC1 7a_100000210231_100000059175 [0,1,0,0,0,0|2,0,1]=4 848 B12R1.27 C[C@@H](CO)CSC1CCCCC1 62a_100000059175_100000210327 [0,1,0,0,0,0|2,0,1]=4 849 B12R1.27 C[C@@H](CO)CSC1CCCCC1 62a_100000210327_100000059175 [0,1,0,0,0,0|2,0,1]=4 850 B12R1.27 C[C@H](CO)NCC1CCCCC1 2230a_100000737577_100000211423 [0,1,0,0,0,0|2,0,1]=4 851 B12R1.27 C[C@H](CO)NCC1CCCCC1 269862a_100000737577_100000211278 [0,1,0,0,0,0|2,0,1]=4 852 B12R1.27 C[C@H](CO)SCC1CCCCC1 62a_100000211423_100016084084 [0,1,0,0,0,0|2,0,1]=4 853 B12R1.27 C[C@H](CO)SCC1CCCCC1 62a_100016084084_100000211423 [0,1,0,0,0,0|2,0,1]=4 854 B12R1.27 O=C(C=CC1CCCCC1)CF 1458a_100102566626_100015361967 [0,1,0,0,0,0|1,0,2]=4 855 B12R1.27 O=C(CF)CCC1CCCCC1 1458a_100000211375_100015361967 [0,1,0,0,0,0|1,0,0]=2 856 B12R1.27 O=C(CF)CCN1CCCCC1 1458a_100000743487_100015361967 [0,1,0,0,0,0|2,0,0]=3 857 B12R1.27 O=C(CF)CCN1CCCCO1 1458a_200015184090_100015361967 [0,1,0,0,0,0|3,0,0]=4 858 B12R1.27 O=C(CF)CCN1CCOCC1 1458a_100000749337_100015361967 [0,1,0,0,0,0|3,0,0]=4 859 B12R1.27 O=C(CF)COC1CCCCC1 1458a_100011223303_100015361967 [0,1,0,0,0,0|2,0,0]=3 860 B12R1.27 O=C(CO)CCC1CCCCC1 1458a_100000210174_100011273959 [0,1,0,0,0,0|0,0,0]=1 861 B12R1.27 O=C(CO)CCC1CCOCC1 1458a_100000210174_100011934994 [0,1,0,0,0,0|1,0,0]=2 862 B12R1.27 O=C(CO)CCC1OCCCO1 1458a_100000210174_100000764188 [0,1,0,0,0,0|2,0,0]=3 863 B12R1.27 O=C(CO)CCN1CCCCC1 1458a_100000210174_100000739454 [0,1,0,0,0,0|1,0,0]=2 864 B12R1.27 O=C(CO)CCN1CCOCC1 1458a_100000210174_100000753993 [0,1,0,0,0,0|2,0,0]=3 865 B12R1.27 O=C(CO)COC1CCCCC1 1458a_100000210174_100011935260 [0,1,0,0,0,0|1,0,0]=2 866 B12R1.27 O=C(CO)NCC1CCCCC1 240690a_100000210473_100000210174 [0,1,0,0,0,0|1,0,0]=2 867 B12R1.27 O=C(CO)NCC1CCCCC1 527a_100000210473_100000210174 [0,1,0,0,0,0|1,0,0]=2 868 B12R1.27 O=C(CO)NCC1CCCCO1 240690a_100000174945_100000210174 [0,1,0,0,0,0|2,0,0]=3 869 B12R1.27 O=C(CO)NCC1CCCCO1 527a_100000174945_100000210174 [0,1,0,0,0,0|2,0,0]=3 870 B12R1.27 O=C(CO)NCC1CCCOC1 240690a_100000720124_100000210174 [0,1,0,0,0,0|2,0,0]=3 871 B12R1.27 O=C(CO)NCC1CCCOC1 527a_100000720124_100000210174 [0,1,0,0,0,0|2,0,0]=3 872 B12R1.27 O=C(CO)NCC1CCOCC1 240690a_100000746373_100000210174 [0,1,0,0,0,0|2,0,0]=3 873 B12R1.27 O=C(CO)NCC1CCOCC1 527a_100000746373_100000210174 [0,1,0,0,0,0|2,0,0]=3 874 B12R1.27 O=C(CO)NCC1CCSCC1 240690a_100015188806_100000210174 [0,1,0,0,0,0|2,0,0]=3 875 B12R1.27 O=C(CO)NCC1CCSCC1 527a_100015188806_100000210174 [0,1,0,0,0,0|2,0,0]=3 876 B12R1.27 O=C(CO)NC[C@H]1COCCO1 240690a_100010981119_100000210174 [0,1,0,0,0,0|3,0,0]=4 877 B12R1.27 O=C(CO)NC[C@H]1COCCO1 527a_100010981119_100000210174 [0,1,0,0,0,0|3,0,0]=4 878 B12R1.27 O=C(CO)NNC1CCCCC1 22a_100000709804_100000210174 [0,1,0,0,0,0|2,0,0]=3 879 B12R1.27 O=C(CO)NNC1CCOCC1 22a_100000687383_100000210174 [0,1,0,0,0,0|3,0,0]=4 880 B12R1.27 OCC(O)CNC1CCCCC1 2230a_100000182618_100011219619 [0,1,0,0,0,0|1,0,2]=4 881 B12R1.27 OCC(O)CNC1CCCCC1 34a_100000182618_100011219619 [0,1,0,0,0,0|1,0,2]=4 882 B12R1.27 OCC(O)COC1CCCCC1 34a_100000210231_100011219619 [0,1,0,0,0,0|1,0,2]=4 883 B12R1.27 OCC(O)COC1CCCCC1 7a_100000210231_100011219619 [0,1,0,0,0,0|1,0,2]=4 884 B12R1.27 OCC(O)CSC1CCCCC1 62a_100000210327_100011219619 [0,1,0,0,0,0|1,0,2]=4 885 B12R1.27 OCC(O)CSC1CCCCC1 62a_100011219619_100000210327 [0,1,0,0,0,0|1,0,2]=4 886 B12R1.27 OC[C@H](F)CNC1CCCCC1 270004a_100015665980_100000210434 [0,1,0,0,0,0|2,0,1]=4 887 B12R1.27 OC[C@H](F)CNC1CCCCC1 34a_100015665980_100000210327 [0,1,0,0,0,0|2,0,1]=4 888 B12R1.27 OC[C@H](O)CNC1CCCCC1 2230a_100000182618_100009815848 [0,1,0,0,0,0|1,0,2]=4 889 B12R1.27 OC[C@H](O)CNC1CCCCC1 34a_100000182618_100009815848 [0,1,0,0,0,0|1,0,2]=4 890 B12R1.27 OC[C@H](O)COC1CCCCC1 34a_100000210231_100009815848 [0,1,0,0,0,0|1,0,2]=4 891 B12R1.27 OC[C@H](O)COC1CCCCC1 7a_100000210231_100009815848 [0,1,0,0,0,0|1,0,2]=4 892 B12R1.27 OC[C@H](O)CSC1CCCCC1 62a_100000210327_100009815848 [0,1,0,0,0,0|1,0,2]=4 893 B12R1.27 OC[C@H](O)CSC1CCCCC1 62a_100009815848_100000210327 [0,1,0,0,0,0|1,0,2]=4 894 B12R1.27 O[C@@H](CF)CNC1CCCCC1 2230a_100000182618_100015614560 [0,1,0,0,0,0|2,0,1]=4 895 B12R1.27 O[C@@H](CF)CNC1CCCCC1 34a_100000182618_100015614560 [0,1,0,0,0,0|2,0,1]=4 896 B12R1.27 O[C@@H](CF)COC1CCCCC1 34a_100000210231_100015614560 [0,1,0,0,0,0|2,0,1]=4 897 B12R1.27 O[C@@H](CF)COC1CCCCC1 7a_100000210231_100015614560 [0,1,0,0,0,0|2,0,1]=4 898 B12R1.27 O[C@@H](CF)CSC1CCCCC1 62a_100000210327_100015614560 [0,1,0,0,0,0|2,0,1]=4 899 B12R1.27 O[C@@H](CF)CSC1CCCCC1 62a_100015614560_100000210327 [0,1,0,0,0,0|2,0,1]=4 900 B12R1.43 C=C(C)C(=O)CC1CCCCC1 1458a_100000185857_100000211423 [0,1,0,0,0,0|2,0,1]=4 901 B12R1.43 C=C(C)C(C)NC1CCCCC1 269862a_100000182618_100011216138 [0,1,0,0,0,0|3,0,0]=4 902 B12R1.43 CC(=O)C(=O)NC1CCCCC1 1458a_200011297149_200000210301 [0,1,0,0,0,0|2,0,1]=4 903 B12R1.43 CC(=O)C(C)CC1CCCCC1 1458a_200011416370_200000210301 [0,1,0,0,0,0|1,0,0]=2 904 B12R1.43 CC(=O)C(C)CN1CCCCC1 1458a_100000070787_100009831500 [0,1,0,0,0,0|2,0,0]=3 905 B12R1.43 CC(=O)C(C)CN1CCCCC1 1458a_100000740234_200000210301 [0,1,0,0,0,0|2,0,0]=3 906 B12R1.43 CC(=O)C(C)CN1CCOCC1 1458a_100000740327_200000210301 [0,1,0,0,0,0|3,0,0]=4 907 B12R1.43 CC(=O)C(C)NC1CCCCC1 2230a_100000182618_100009814033 [0,1,0,0,0,0|2,0,0]=3 908 B12R1.43 CC(=O)C(C)NC1CCCOC1 2230a_100000719290_100009814033 [0,1,0,0,0,0|3,0,0]=4 909 B12R1.43 CC(=O)C(C)NC1CCOCC1 2230a_100000741149_100009814033 [0,1,0,0,0,0|3,0,0]=4 910 B12R1.43 CC(=O)C(C)NC1CCSCC1 2230a_100000748639_100009814033 [0,1,0,0,0,0|3,0,0]=4 911 B12R1.43 CC(=O)C(C)OC1CCCCC1 34a_100000212229_100000210327 [0,1,0,0,0,0|2,0,0]=3 912 B12R1.43 CC(=O)C(C)OC1CCCCC1 7a_100000210231_100000179758 [0,1,0,0,0,0|2,0,0]=3 913 B12R1.43 CC(=O)C(C)OC1CCCOC1 34a_100000212229_100000693364 [0,1,0,0,0,0|3,0,0]=4 914 B12R1.43 CC(=O)C(C)OC1CCCSC1 7a_100015962668_100000179758 [0,1,0,0,0,0|3,0,0]=4 915 B12R1.43 CC(=O)C(C)OC1CCSCC1 34a_100000212229_100000069128 [0,1,0,0,0,0|3,0,0]=4 916 B12R1.43 CC(=O)C(C)OC1CCSCC1 7a_100000731022_100000179758 [0,1,0,0,0,0|3,0,0]=4 917 B12R1.43 CC(=O)C(C)SC1CCCCC1 62a_100000210327_100009814033 [0,1,0,0,0,0|2,0,0]=3 918 B12R1.43 CC(=O)C(C)SC1CCCCC1 62a_100009814033_100000210327 [0,1,0,0,0,0|2,0,0]=3 919 B12R1.43 CC(=O)C(C)SC1CCCOC1 62a_100009814033_100000693364 [0,1,0,0,0,0|3,0,0]=4 920 B12R1.43 CC(=O)C(C)SC1CCOCC1 62a_100009814033_100011324220 [0,1,0,0,0,0|3,0,0]=4 921 B12R1.43 CC(=O)C(C)SC1CCSCC1 62a_100009814033_100000069128 [0,1,0,0,0,0|3,0,0]=4 922 B12R1.43 CC(=O)N(C)CC1CCCCC1 11a_100000736448_100015343762 [0,1,0,0,0,0|2,0,0]=3 923 B12R1.43 CC(=O)N(C)CC1CCCCC1 1626a_100000736448_100015343762 [0,1,0,0,0,0|2,0,0]=3 924 B12R1.43 CC(=O)N(C)CC1CCCCC1 240690a_100000736448_100015343762 [0,1,0,0,0,0|2,0,0]=3 925 B12R1.43 CC(=O)N(C)CC1CCCCC1 527a_100000736448_100103153847 [0,1,0,0,0,0|2,0,0]=3 926 B12R1.43 CC(=O)N(C)CC1CCCCO1 11a_100000225654_100015343762 [0,1,0,0,0,0|3,0,0]=4 927 B12R1.43 CC(=O)N(C)CC1CCCCO1 1626a_100000225654_100015343762 [0,1,0,0,0,0|3,0,0]=4 928 B12R1.43 CC(=O)N(C)CC1CCCCO1 240690a_100000225654_100015343762 [0,1,0,0,0,0|3,0,0]=4 929 B12R1.43 CC(=O)N(C)CC1CCCCO1 527a_100000225654_100103153847 [0,1,0,0,0,0|3,0,0]=4 930 B12R1.43 CC(=O)N(C)CC1CCOCC1 11a_100025706683_100015343762 [0,1,0,0,0,0|3,0,0]=4 931 B12R1.43 CC(=O)N(C)CC1CCOCC1 1626a_100025706683_100015343762 [0,1,0,0,0,0|3,0,0]=4 932 B12R1.43 CC(=O)N(C)CC1CCOCC1 240690a_100025706683_100015343762 [0,1,0,0,0,0|3,0,0]=4 933 B12R1.43 CC(=O)N(C)CC1CCOCC1 527a_100025706683_100103153847 [0,1,0,0,0,0|3,0,0]=4 934 B12R1.43 CC(=O)N(C)CC1CCSCC1 11a_100011935259_100015343762 [0,1,0,0,0,0|3,0,0]=4 935 B12R1.43 CC(=O)N(C)CC1CCSCC1 240690a_100011935259_100015343762 [0,1,0,0,0,0|3,0,0]=4 936 B12R1.43 CC(=O)N(C)CC1CCSCC1 527a_100011935259_100103153847 [0,1,0,0,0,0|3,0,0]=4 937 B12R1.43 CC(=O)[C@H](O)CC1CCCCC1 1458a_100016183741_200000210301 [0,1,0,0,0,0|1,0,0]=2 938 B12R1.43 CC(CC1CCCCC1)C(=O)[13CH3] 1458a_200011416370_200025704644 [0,1,0,0,0,0|1,0,0]=2 939 B12R1.43 CC(CC1CCCCC1)N(C)C 270004a_100102631434_100011215996 [0,1,0,0,0,0|3,0,0]=4 940 B12R1.43 CC(CN1CCCCC1)C(=O)[13CH3] 1458a_100000740234_200025704644 [0,1,0,0,0,0|2,0,0]=3 941 B12R1.43 CC(CN1CCOCC1)C(=O)[13CH3] 1458a_100000740327_200025704644 [0,1,0,0,0,0|3,0,0]=4 942 B12R1.43 CC(NC1CCCCC1)C(=O)N 2230a_100000182618_100000702099 [0,1,0,0,0,0|2,0,0]=3 943 B12R1.43 CC(NC1CCCCC1)C(=O)N 34a_100000182618_100000702099 [0,1,0,0,0,0|2,0,0]=3 944 B12R1.43 CC(NC1CCCOC1)C(=O)N 2230a_100000719290_100000702099 [0,1,0,0,0,0|3,0,0]=4 945 B12R1.43 CC(NC1CCCOC1)C(=O)N 34a_100000719290_100000702099 [0,1,0,0,0,0|3,0,0]=4 946 B12R1.43 CC(NC1CCOCC1)C(=O)N 2230a_100000741149_100000702099 [0,1,0,0,0,0|3,0,0]=4 947 B12R1.43 CC(NC1CCOCC1)C(=O)N 34a_100000741149_100000702099 [0,1,0,0,0,0|3,0,0]=4 948 B12R1.43 CC(NC1CCSCC1)C(=O)N 2230a_100000748639_100000702099 [0,1,0,0,0,0|3,0,0]=4 949 B12R1.43 CC(NC1CCSCC1)C(=O)N 34a_100000748639_100000702099 [0,1,0,0,0,0|3,0,0]=4 950 B12R1.43 CC(OC1CCCCC1)C(=O)N 34a_100000210231_100000702099 [0,1,0,0,0,0|2,0,0]=3 951 B12R1.43 CC(OC1CCCCC1)C(=O)N 7a_100000210231_100000702099 [0,1,0,0,0,0|2,0,0]=3 952 B12R1.43 CC(OC1CCCCO1)C(=O)N 34a_100000033831_100000702099 [0,1,0,0,0,0|3,0,0]=4 953 B12R1.43 CC(OC1CCCOC1)C(=O)N 34a_100000754041_100000702099 [0,1,0,0,0,0|3,0,0]=4 954 B12R1.43 CC(OC1CCCSC1)C(=O)N 7a_100015962668_100000702099 [0,1,0,0,0,0|3,0,0]=4 955 B12R1.43 CC(OC1CCOCC1)C(=O)N 34a_100000744328_100000702099 [0,1,0,0,0,0|3,0,0]=4 956 B12R1.43 CC(OC1CCSCC1)C(=O)N 34a_100000731022_100000702099 [0,1,0,0,0,0|3,0,0]=4 957 B12R1.43 CC(OC1CCSCC1)C(=O)N 7a_100000731022_100000702099 [0,1,0,0,0,0|3,0,0]=4 958 B12R1.43 CC(SC1CCCCC1)C(=O)N 62a_100000210327_100000702099 [0,1,0,0,0,0|2,0,0]=3 959 B12R1.43 CC(SC1CCCCC1)C(=O)N 62a_100000702099_100000210327 [0,1,0,0,0,0|2,0,0]=3 960 B12R1.43 CC(SC1CCCOC1)C(=O)N 62a_100000702099_100000693364 [0,1,0,0,0,0|3,0,0]=4 961 B12R1.43 CC(SC1CCOCC1)C(=O)N 62a_100000702099_100011324220 [0,1,0,0,0,0|3,0,0]=4 962 B12R1.43 CC(SC1CCSCC1)C(=O)N 62a_100000702099_100000069128 [0,1,0,0,0,0|3,0,0]=4 963 B12R1.43 C[C@@H](NC1CCCCC1)C(=O)N 270004a_100000119354_100000210434 [0,1,0,0,0,0|2,0,0]=3 964 B12R1.43 C[C@@H](NC1CCCCC1)C(=O)N 34a_100000119354_100000210327 [0,1,0,0,0,0|2,0,0]=3 965 B12R1.43 C[C@@H](NC1CCCOC1)C(=O)N 270004a_100000119354_100000753404 [0,1,0,0,0,0|3,0,0]=4 966 B12R1.43 C[C@@H](NC1CCCOC1)C(=O)N 34a_100000119354_100000693364 [0,1,0,0,0,0|3,0,0]=4 967 B12R1.43 C[C@@H](NC1CCCSC1)C(=O)N 270004a_100000119354_100000057913 [0,1,0,0,0,0|3,0,0]=4 968 B12R1.43 C[C@@H](NC1CCNCC1)C(=O)N 270004a_100000119354_100015192401 [0,1,0,0,0,0|3,0,0]=4 969 B12R1.43 C[C@@H](NC1CCOCC1)C(=O)N 270004a_100000119354_100011217826 [0,1,0,0,0,0|3,0,0]=4 970 B12R1.43 C[C@@H](NC1CCSCC1)C(=O)N 270004a_100000119354_100000203788 [0,1,0,0,0,0|3,0,0]=4 971 B12R1.43 C[C@@H](NC1CCSCC1)C(=O)N 34a_100000119354_100000069128 [0,1,0,0,0,0|3,0,0]=4 972 B12R1.43 C[C@@H](O)C(=O)CC1CCCCC1 1458a_100000717761_100000211423 [0,1,0,0,0,0|1,0,2]=4 973 B12R1.43 C[C@@H](OC1CCCCC1)C(=O)N 34a_100000731257_100000210327 [0,1,0,0,0,0|2,0,0]=3 974 B12R1.43 C[C@@H](OC1CCCCC1)C(=O)N 7a_100000731257_100000210327 [0,1,0,0,0,0|2,0,0]=3 975 B12R1.43 C[C@@H](OC1CCCOC1)C(=O)N 34a_100000731257_100000693364 [0,1,0,0,0,0|3,0,0]=4 976 B12R1.43 C[C@@H](OC1CCCOC1)C(=O)N 7a_100000731257_100000693364 [0,1,0,0,0,0|3,0,0]=4 977 B12R1.43 C[C@@H](OC1CCOCC1)C(=O)N 7a_100000731257_100000686592 [0,1,0,0,0,0|3,0,0]=4 978 B12R1.43 C[C@@H](OC1CCSCC1)C(=O)N 34a_100000731257_100000069128 [0,1,0,0,0,0|3,0,0]=4 979 B12R1.43 C[C@@H](OC1CCSCC1)C(=O)N 7a_100000731257_100011500858 [0,1,0,0,0,0|3,0,0]=4 980 B12R1.43 C[C@H](NC1C=CCCC1)C(=O)O 269956a_100000743915_100000751183 [0,1,0,0,0,0|1,0,2]=4 981 B12R1.43 C[C@H](NC1CCCCC1)C(=O)O 269956a_100000743915_100000210327 [0,1,0,0,0,0|1,0,0]=2 982 B12R1.43 C[C@H](NC1CCCOC1)C(=O)O 269956a_100000743915_100000693364 [0,1,0,0,0,0|2,0,0]=3 983 B12R1.43 C[C@H](NC1CCOCC1)C(=O)O 269956a_100000743915_100011324220 [0,1,0,0,0,0|2,0,0]=3 984 B12R1.43 C[C@H](NC1CCSCC1)C(=O)O 269956a_100000743915_100000069128 [0,1,0,0,0,0|2,0,0]=3 985 B12R1.43 C[C@H](O)C(=O)CC1CCCCC1 1458a_217856618621_100000211423 [0,1,0,0,0,0|1,0,2]=4 986 B12R1.43 C[C@H](OC1CCCCC1)C(=O)[O-] 7a_217856618621_100000210327 [0,1,0,0,0,0|1,0,1]=3 987 B12R1.43 C[C@H](OC1CCCOC1)C(=O)[O-] 7a_217856618621_100000693364 [0,1,0,0,0,0|2,0,1]=4 988 B12R1.43 C[C@H](OC1CCOCC1)C(=O)[O-] 7a_217856618621_100000686592 [0,1,0,0,0,0|2,0,1]=4 989 B12R1.43 C[C@H](OC1CCSCC1)C(=O)[O-] 7a_217856618621_100011500858 [0,1,0,0,0,0|2,0,1]=4 990 B12R1.43 NC(=O)C(=O)NC1CCCCC1 240690a_100000182618_100011215815 [0,1,0,0,0,0|2,0,1]=4 991 B12R1.43 NC(=O)C(F)NC1CCCCC1 2230a_100000182618_100009813875 [0,1,0,0,0,0|2,0,0]=3 992 B12R1.43 NC(=O)C(F)NC1CCCCC1 34a_100000182618_100009813875 [0,1,0,0,0,0|2,0,0]=3 993 B12R1.43 NC(=O)C(F)NC1CCCOC1 2230a_100000719290_100009813875 [0,1,0,0,0,0|3,0,0]=4 994 B12R1.43 NC(=O)C(F)NC1CCCOC1 34a_100000719290_100009813875 [0,1,0,0,0,0|3,0,0]=4 995 B12R1.43 NC(=O)C(F)NC1CCOCC1 2230a_100000741149_100009813875 [0,1,0,0,0,0|3,0,0]=4 996 B12R1.43 NC(=O)C(F)NC1CCOCC1 34a_100000741149_100009813875 [0,1,0,0,0,0|3,0,0]=4 997 B12R1.43 NC(=O)C(F)NC1CCSCC1 2230a_100000748639_100009813875 [0,1,0,0,0,0|3,0,0]=4 998 B12R1.43 NC(=O)C(F)NC1CCSCC1 34a_100000748639_100009813875 [0,1,0,0,0,0|3,0,0]=4 999 B12R1.43 NC(=O)C(F)OC1CCCCC1 34a_100000210231_100009813875 [0,1,0,0,0,0|2,0,0]=3 1000 B12R1.43 NC(=O)C(F)OC1CCCCC1 7a_100000210231_100009813875 [0,1,0,0,0,0|2,0,0]=3 1001 B12R1.43 NC(=O)C(F)OC1CCCCO1 34a_100000033831_100009813875 [0,1,0,0,0,0|3,0,0]=4 1002 B12R1.43 NC(=O)C(F)OC1CCCOC1 34a_100000754041_100009813875 [0,1,0,0,0,0|3,0,0]=4 1003 B12R1.43 NC(=O)C(F)OC1CCCSC1 7a_100015962668_100009813875 [0,1,0,0,0,0|3,0,0]=4 1004 B12R1.43 NC(=O)C(F)OC1CCOCC1 34a_100000744328_100009813875 [0,1,0,0,0,0|3,0,0]=4 1005 B12R1.43 NC(=O)C(F)OC1CCSCC1 34a_100000731022_100009813875 [0,1,0,0,0,0|3,0,0]=4 1006 B12R1.43 NC(=O)C(F)OC1CCSCC1 7a_100000731022_100009813875 [0,1,0,0,0,0|3,0,0]=4 1007 B12R1.43 NC(=O)C(F)SC1CCCCC1 62a_100000210327_100009813875 [0,1,0,0,0,0|2,0,0]=3 1008 B12R1.43 NC(=O)C(F)SC1CCCCC1 62a_100009813875_100000210327 [0,1,0,0,0,0|2,0,0]=3 1009 B12R1.43 NC(=O)C(F)SC1CCCOC1 62a_100009813875_100000693364 [0,1,0,0,0,0|3,0,0]=4 1010 B12R1.43 NC(=O)C(F)SC1CCOCC1 62a_100009813875_100011324220 [0,1,0,0,0,0|3,0,0]=4 1011 B12R1.43 NC(=O)C(F)SC1CCSCC1 62a_100009813875_100000069128 [0,1,0,0,0,0|3,0,0]=4 1012 B12R1.43 O=C(CC1CCCCC1)C(O)O 1458a_100000233687_100000211423 [0,1,0,0,0,0|0,0,3]=4 1013 B12R1.43 O=C([O-])C(F)NC1CCCCC1 34a_100000182618_100020610796 [0,1,0,0,0,0|1,0,1]=3 1014 B12R1.43 O=C([O-])C(F)NC1CCCOC1 34a_100000719290_100020610796 [0,1,0,0,0,0|2,0,1]=4 1015 B12R1.43 O=C([O-])C(F)NC1CCOCC1 34a_100000741149_100020610796 [0,1,0,0,0,0|2,0,1]=4 1016 B12R1.43 O=C([O-])C(F)NC1CCSCC1 34a_100000748639_100020610796 [0,1,0,0,0,0|2,0,1]=4 1017 B12R1.43 O=C([O-])C(F)OC1CCCCC1 34a_100000210231_100020610796 [0,1,0,0,0,0|1,0,1]=3 1018 B12R1.43 O=C([O-])C(F)OC1CCCCO1 34a_100000033831_100020610796 [0,1,0,0,0,0|2,0,1]=4 1019 B12R1.43 O=C([O-])C(F)OC1CCCOC1 34a_100000754041_100020610796 [0,1,0,0,0,0|2,0,1]=4 1020 B12R1.43 O=C([O-])C(F)OC1CCOCC1 34a_100000744328_100020610796 [0,1,0,0,0,0|2,0,1]=4 1021 B12R1.43 O=C([O-])C(F)OC1CCSCC1 34a_100000731022_100020610796 [0,1,0,0,0,0|2,0,1]=4 1022 B12R1.43 O=C([O-])C(F)SC1CCCCC1 62a_100000210327_100020610796 [0,1,0,0,0,0|1,0,1]=3 1023 B12R1.43 O=C([O-])C(F)SC1CCCCC1 62a_100020610796_100000210327 [0,1,0,0,0,0|1,0,1]=3 1024 B12R1.43 O=C([O-])C(F)SC1CCCOC1 62a_100020610796_100000693364 [0,1,0,0,0,0|2,0,1]=4 1025 B12R1.43 O=C([O-])C(F)SC1CCOCC1 62a_100020610796_100011324220 [0,1,0,0,0,0|2,0,1]=4 1026 B12R1.43 O=C([O-])C(F)SC1CCSCC1 62a_100020610796_100000069128 [0,1,0,0,0,0|2,0,1]=4 1027 B12R1.43 [13CH3]C(=O)C(=O)NC1CCCCC1 1458a_200011297149_200025704644 [0,1,0,0,0,0|2,0,1]=4 1028 B12R1.43 [13CH3]C(=O)[C@H](O)CC1CCCCC1 1458a_100016183741_200025704644 [0,1,0,0,0,0|1,0,0]=2 1029 B12R1.107 C=C(C)CC(=O)C1CCCCC1 1458a_100000210647_100000748629 [0,1,0,0,0,0|2,0,1]=4 1030 B12R1.107 C=C(C)CN(C)C1CCCCC1 2230a_100000207522_100000748629 [0,1,0,0,0,0|3,0,0]=4 1031 B12R1.107 C=C(C)CN(C)C1CCCCC1 269982a_100000207522_100000748629 [0,1,0,0,0,0|3,0,0]=4 1032 B12R1.107 C=C(C)CN(C)C1CCCCC1 269982a_100000225649_100000210327 [0,1,0,0,0,0|3,0,0]=4 1033 B12R1.107 C=C(C)CN(C)C1CCCCC1 270004a_100000225649_100000210434 [0,1,0,0,0,0|3,0,0]=4 1034 B12R1.107 C=C(C)CN(C)C1CCCCC1 34a_100000207522_100000748629 [0,1,0,0,0,0|3,0,0]=4 1035 B12R1.107 C=C(F)CC(=O)C1CCCCC1 1458a_100000210647_100009893438 [0,1,0,0,0,0|2,0,1]=4 1036 B12R1.107 C=C(F)CN(C)C1CCCCC1 2230a_100000207522_100009893438 [0,1,0,0,0,0|3,0,0]=4 1037 B12R1.107 C=C(F)CN(C)C1CCCCC1 269982a_100000207522_100009893438 [0,1,0,0,0,0|3,0,0]=4 1038 B12R1.107 C=C(F)CN(C)C1CCCCC1 34a_100000207522_100009893438 [0,1,0,0,0,0|3,0,0]=4 1039 B12R1.107 CC(=O)CC(=O)C1CCCCC1 1458a_100000070787_100000241979 [0,1,0,0,0,0|1,0,1]=3 1040 B12R1.107 CC(=O)CC(=O)C1CCOCC1 1458a_100000070787_100000689883 [0,1,0,0,0,0|2,0,1]=4 1041 B12R1.107 CC(=O)CC(=O)N1CCCCC1 1458a_100000070787_100000183409 [0,1,0,0,0,0|2,0,1]=4 1042 B12R1.107 CC(=O)CC(C)N1CCCCC1 1458a_100015187720_200000210301 [0,1,0,0,0,0|2,0,0]=3 1043 B12R1.107 CC(=O)N[C@H](C)C1CCCCC1 11a_100025707633_100015343762 [0,1,0,0,0,0|2,0,0]=3 1044 B12R1.107 CC(=O)N[C@H](C)C1CCCCC1 1626a_100025707633_100015343762 [0,1,0,0,0,0|2,0,0]=3 1045 B12R1.107 CC(=O)N[C@H](C)C1CCCCC1 240690a_100025707633_100015343762 [0,1,0,0,0,0|2,0,0]=3 1046 B12R1.107 CC(=O)N[C@H](C)C1CCCCC1 527a_100025707633_100103153847 [0,1,0,0,0,0|2,0,0]=3 1047 B12R1.107 CC(CC(=O)[13CH3])N1CCCCC1 1458a_100015187720_200025704644 [0,1,0,0,0,0|2,0,0]=3 1048 B12R1.107 CC(O)CC(=O)C1CCCCC1 1458a_100000210647_100011218427 [0,1,0,0,0,0|1,0,2]=4 1049 B12R1.107 CC(O)CN(C)C1CCCCC1 2230a_100000202029_200000210301 [0,1,0,0,0,0|2,0,1]=4 1050 B12R1.107 CC(O)CN(C)C1CCCCC1 2230a_100000207522_100011218427 [0,1,0,0,0,0|2,0,1]=4 1051 B12R1.107 CC(O)CN(C)C1CCCCC1 269982a_100000202029_200000210301 [0,1,0,0,0,0|2,0,1]=4 1052 B12R1.107 CC(O)CN(C)C1CCCCC1 269982a_100000207522_100011218427 [0,1,0,0,0,0|2,0,1]=4 1053 B12R1.107 CC(O)CN(C)C1CCCCC1 269982a_100000227577_100000210327 [0,1,0,0,0,0|2,0,1]=4 1054 B12R1.107 CC(O)CN(C)C1CCCCC1 270004a_100000227577_100000210434 [0,1,0,0,0,0|2,0,1]=4 1055 B12R1.107 CC(O)CN(C)C1CCCCC1 34a_100000202029_200000210301 [0,1,0,0,0,0|2,0,1]=4 1056 B12R1.107 CC(O)CN(C)C1CCCCC1 34a_100000207522_100011218427 [0,1,0,0,0,0|2,0,1]=4 1057 B12R1.107 CC(O)CN([13CH3])C1CCCCC1 2230a_100000202029_200025704644 [0,1,0,0,0,0|2,0,1]=4 1058 B12R1.107 CC(O)CN([13CH3])C1CCCCC1 269982a_100000202029_200025704644 [0,1,0,0,0,0|2,0,1]=4 1059 B12R1.107 CC(O)CN([13CH3])C1CCCCC1 34a_100000202029_200025704644 [0,1,0,0,0,0|2,0,1]=4 1060 B12R1.107 CN(CC(=O)N)C1CCCCC1 2230a_100000207522_100000747473 [0,1,0,0,0,0|2,0,0]=3 1061 B12R1.107 CN(CC(=O)N)C1CCCCC1 269982a_100000207522_100000187820 [0,1,0,0,0,0|2,0,0]=3 1062 B12R1.107 CN(CC(=O)N)C1CCCCC1 270004a_100000739694_100000210434 [0,1,0,0,0,0|2,0,0]=3 1063 B12R1.107 CN(CC(=O)N)C1CCCCC1 34a_100000207522_100000187820 [0,1,0,0,0,0|2,0,0]=3 1064 B12R1.107 CN(CC(=O)N)C1CCCOC1 270004a_100000739694_100000753404 [0,1,0,0,0,0|3,0,0]=4 1065 B12R1.107 CN(CC(=O)N)C1CCCSC1 270004a_100000739694_100000057913 [0,1,0,0,0,0|3,0,0]=4 1066 B12R1.107 CN(CC(=O)N)C1CCNCC1 270004a_100000739694_100015192401 [0,1,0,0,0,0|3,0,0]=4 1067 B12R1.107 CN(CC(=O)N)C1CCOCC1 2230a_100020587155_100000747473 [0,1,0,0,0,0|3,0,0]=4 1068 B12R1.107 CN(CC(=O)N)C1CCOCC1 269982a_100020587155_100000187820 [0,1,0,0,0,0|3,0,0]=4 1069 B12R1.107 CN(CC(=O)N)C1CCOCC1 270004a_100000739694_100011217826 [0,1,0,0,0,0|3,0,0]=4 1070 B12R1.107 CN(CC(=O)N)C1CCOCC1 34a_100020587155_100000187820 [0,1,0,0,0,0|3,0,0]=4 1071 B12R1.107 CN(CC(=O)N)C1CCSCC1 2230a_100015184757_100000747473 [0,1,0,0,0,0|3,0,0]=4 1072 B12R1.107 CN(CC(=O)N)C1CCSCC1 269982a_100015184757_100000187820 [0,1,0,0,0,0|3,0,0]=4 1073 B12R1.107 CN(CC(=O)N)C1CCSCC1 270004a_100000739694_100000203788 [0,1,0,0,0,0|3,0,0]=4 1074 B12R1.107 CN(CC(=O)N)C1CCSCC1 34a_100015184757_100000187820 [0,1,0,0,0,0|3,0,0]=4 1075 B12R1.107 CN(CC(=O)O)C1C=CCCC1 269956a_100000746989_100000751183 [0,1,0,0,0,0|1,0,2]=4 1076 B12R1.107 CN(CC(=O)O)C1CCCCC1 269956a_100000746989_100000210327 [0,1,0,0,0,0|1,0,0]=2 1077 B12R1.107 CN(CC(=O)O)C1CCCOC1 269956a_100000746989_100000693364 [0,1,0,0,0,0|2,0,0]=3 1078 B12R1.107 CN(CC(=O)O)C1CCOCC1 269956a_100000746989_100011324220 [0,1,0,0,0,0|2,0,0]=3 1079 B12R1.107 CN(CC(=O)O)C1CCSCC1 269956a_100000746989_100000069128 [0,1,0,0,0,0|2,0,0]=3 1080 B12R1.107 CN(CC(=O)[O-])C1CCCCC1 269982a_100000207522_100020667443 [0,1,0,0,0,0|1,0,1]=3 1081 B12R1.107 CN(CC(=O)[O-])C1CCCCC1 34a_100000207522_100020667443 [0,1,0,0,0,0|1,0,1]=3 1082 B12R1.107 CN(CC(=O)[O-])C1CCOCC1 269982a_100020587155_100020667443 [0,1,0,0,0,0|2,0,1]=4 1083 B12R1.107 CN(CC(=O)[O-])C1CCOCC1 34a_100020587155_100020667443 [0,1,0,0,0,0|2,0,1]=4 1084 B12R1.107 CN(CC(=O)[O-])C1CCSCC1 269982a_100015184757_100020667443 [0,1,0,0,0,0|2,0,1]=4 1085 B12R1.107 CN(CC(=O)[O-])C1CCSCC1 34a_100015184757_100020667443 [0,1,0,0,0,0|2,0,1]=4 1086 B12R1.107 CN(C[N+](=O)[O-])C1CCCCC1 269982a_100000207522_100000761209 [0,1,0,0,0,0|2,0,1]=4 1087 B12R1.107 CN(C[N+](=O)[O-])C1CCCCC1 34a_100000207522_100000761209 [0,1,0,0,0,0|2,0,1]=4 1088 B12R1.107 C[C@@H](O)CC(=O)C1CCCCC1 1458a_100011933948_100000210327 [0,1,0,0,0,0|1,0,2]=4 1089 B12R1.107 C[C@@H](O)CN(C)C1CCCCC1 2230a_100000207522_100009817552 [0,1,0,0,0,0|2,0,1]=4 1090 B12R1.107 C[C@@H](O)CN(C)C1CCCCC1 269982a_100000207522_100009817552 [0,1,0,0,0,0|2,0,1]=4 1091 B12R1.107 C[C@@H](O)CN(C)C1CCCCC1 34a_100000207522_100009817552 [0,1,0,0,0,0|2,0,1]=4 1092 B12R1.107 NC(=O)CC(=O)C1CCCCC1 1458a_100000210647_100000187820 [0,1,0,0,0,0|1,0,1]=3 1093 B12R1.107 NC(=O)CC(=O)C1CCCCC1 1458a_100134613110_100000210327 [0,1,0,0,0,0|1,0,1]=3 1094 B12R1.107 NC(=O)CC(=O)C1CCCCO1 1458a_100000748299_100000187820 [0,1,0,0,0,0|2,0,1]=4 1095 B12R1.107 NC(=O)CC(=O)C1CCCOC1 1458a_100000741522_100000187820 [0,1,0,0,0,0|2,0,1]=4 1096 B12R1.107 NC(=O)CC(=O)C1CCCOC1 1458a_100134613110_100000693364 [0,1,0,0,0,0|2,0,1]=4 1097 B12R1.107 NC(=O)CC(=O)C1CCOCC1 1458a_100000195482_100000187820 [0,1,0,0,0,0|2,0,1]=4 1098 B12R1.107 NC(=O)CC(=O)C1CCOCC1 1458a_100134613110_100011324220 [0,1,0,0,0,0|2,0,1]=4 1099 B12R1.107 NC(=O)CC(=O)C1CCSCC1 1458a_100000755232_100000187820 [0,1,0,0,0,0|2,0,1]=4 1100 B12R1.107 O=C(C[N+](=O)[O-])C1CCCCC1 1458a_100000210647_100000761209 [0,1,0,0,0,0|1,0,2]=4 1101 B12R1.107 O=C([O-])CC(=O)C1CCCCC1 1458a_100000210647_100020667443 [0,1,0,0,0,0|0,0,2]=3 1102 B12R1.107 O=C([O-])CC(=O)C1CCCCO1 1458a_100000748299_100020667443 [0,1,0,0,0,0|1,0,2]=4 1103 B12R1.107 O=C([O-])CC(=O)C1CCCOC1 1458a_100000741522_100020667443 [0,1,0,0,0,0|1,0,2]=4 1104 B12R1.107 O=C([O-])CC(=O)C1CCOCC1 1458a_100000195482_100020667443 [0,1,0,0,0,0|1,0,2]=4 1105 B12R1.107 O=C([O-])CC(=O)C1CCSCC1 1458a_100000755232_100020667443 [0,1,0,0,0,0|1,0,2]=4 1106 B12R1.125 C=C(C)CCN1CCCCC1C 2230a_100000211376_100000730704 [0,1,0,0,0,0|3,0,0]=4 1107 B12R1.125 C=C(C)CCN1CCCCC1C 269982a_100000211376_100000730704 [0,1,0,0,0,0|3,0,0]=4 1108 B12R1.125 C=C(C)CCN1CCCCC1C 34a_100000211376_100000730704 [0,1,0,0,0,0|3,0,0]=4 1109 B12R1.125 C=C(C)CNC1CCCCC1C 2230a_100000211402_100000748629 [0,1,0,0,0,0|3,0,0]=4 1110 B12R1.125 C=C(C)CNC1CCCCC1C 34a_100000211402_100000748629 [0,1,0,0,0,0|3,0,0]=4 1111 B12R1.125 C=C(C)CN[C@@H]1CCCC[C@H]1F 2230a_100015195156_100000748629 [0,1,0,0,0,0|3,0,0]=4 1112 B12R1.125 C=C(C)CN[C@@H]1CCCC[C@H]1F 34a_100015195156_100000748629 [0,1,0,0,0,0|3,0,0]=4 1113 B12R1.125 C=C(C)COC1CCCCC1C 34a_100000211207_100000748629 [0,1,0,0,0,0|3,0,0]=4 1114 B12R1.125 C=C(C)COC1CCCCC1C 7a_100000211207_100000748629 [0,1,0,0,0,0|3,0,0]=4 1115 B12R1.125 C=C(C)COC1CCCCC1Cl 34a_100000038908_100000748629 [0,1,0,0,0,0|3,0,0]=4 1116 B12R1.125 C=C(C)COC1CCCCC1Cl 7a_100000038908_100000748629 [0,1,0,0,0,0|3,0,0]=4 1117 B12R1.125 C=C(C)COC1CCCCC1F 34a_100000210245_100015423560 [0,1,0,0,0,0|3,0,0]=4 1118 B12R1.125 C=C(C)COC1CCCCC1O 34a_100000210245_100000038908 [0,1,0,0,0,0|3,0,0]=4 1119 B12R1.125 C=C(C)CO[C@@H]1CCCC[C@H]1F 34a_100009816020_100000748629 [0,1,0,0,0,0|3,0,0]=4 1120 B12R1.125 C=C(C)CO[C@@H]1CCCC[C@H]1F 7a_100009816020_100000748629 [0,1,0,0,0,0|3,0,0]=4 1121 B12R1.125 C=C(C)CO[C@H]1CCCC[C@H]1N 34a_100015191688_100000748629 [0,1,0,0,0,0|3,0,0]=4 1122 B12R1.125 C=C(C)CSC1CCCCC1F 62a_100000748629_100015423560 [0,1,0,0,0,0|3,0,0]=4 1123 B12R1.125 C=C(C)CSC1CCCCC1F 62a_100015423560_100000211660 [0,1,0,0,0,0|3,0,0]=4 1124 B12R1.125 C=C(C)CSC1CCCCC1O 62a_100000038908_100000211660 [0,1,0,0,0,0|3,0,0]=4 1125 B12R1.125 C=C(C)CSC1CCCCC1O 62a_100000748629_100000038908 [0,1,0,0,0,0|3,0,0]=4 1126 B12R1.125 C=C(F)CNC1CCCCC1C 2230a_100000211402_100009893438 [0,1,0,0,0,0|3,0,0]=4 1127 B12R1.125 C=C(F)CNC1CCCCC1C 34a_100000211402_100009893438 [0,1,0,0,0,0|3,0,0]=4 1128 B12R1.125 C=C(F)CN[C@@H]1CCCC[C@H]1F 2230a_100015195156_100009893438 [0,1,0,0,0,0|3,0,0]=4 1129 B12R1.125 C=C(F)CN[C@@H]1CCCC[C@H]1F 34a_100015195156_100009893438 [0,1,0,0,0,0|3,0,0]=4 1130 B12R1.125 C=C(F)COC1CCCCC1C 34a_100000211207_100009893438 [0,1,0,0,0,0|3,0,0]=4 1131 B12R1.125 C=C(F)COC1CCCCC1C 7a_100000211207_100000042424 [0,1,0,0,0,0|3,0,0]=4 1132 B12R1.125 C=C(F)COC1CCCCC1Cl 34a_100000038908_100009893438 [0,1,0,0,0,0|3,0,0]=4 1133 B12R1.125 C=C(F)COC1CCCCC1Cl 7a_100000038908_100000042424 [0,1,0,0,0,0|3,0,0]=4 1134 B12R1.125 C=C(F)COC1CCCCC1F 34a_200010262243_100015423560 [0,1,0,0,0,0|3,0,0]=4 1135 B12R1.125 C=C(F)COC1CCCCC1O 34a_200010262243_100000038908 [0,1,0,0,0,0|3,0,0]=4 1136 B12R1.125 C=C(F)CO[C@@H]1CCCC[C@H]1F 34a_100009816020_100009893438 [0,1,0,0,0,0|3,0,0]=4 1137 B12R1.125 C=C(F)CO[C@@H]1CCCC[C@H]1F 7a_100009816020_100000042424 [0,1,0,0,0,0|3,0,0]=4 1138 B12R1.125 C=C(F)CO[C@H]1CCCC[C@H]1N 34a_100015191688_100009893438 [0,1,0,0,0,0|3,0,0]=4 1139 B12R1.125 C=C(F)CSC1CCCCC1F 62a_100000042424_100015423560 [0,1,0,0,0,0|3,0,0]=4 1140 B12R1.125 C=C(F)CSC1CCCCC1F 62a_100015423560_100000042424 [0,1,0,0,0,0|3,0,0]=4 1141 B12R1.125 C=C(F)CSC1CCCCC1O 62a_100000038908_100000042424 [0,1,0,0,0,0|3,0,0]=4 1142 B12R1.125 C=C(F)CSC1CCCCC1O 62a_100000042424_100000038908 [0,1,0,0,0,0|3,0,0]=4 1143 B12R1.125 CC(=O)CCC1CCCCN1C 1458a_100000070787_100000211948 [0,1,0,0,0,0|2,0,0]=3 1144 B12R1.125 CC(=O)CCC1CCCCN1C 1458a_100000718493_200000210301 [0,1,0,0,0,0|2,0,0]=3 1145 B12R1.125 CC(=O)CCN1CCCCC1=O 1458a_100011236303_200000210301 [0,1,0,0,0,0|2,0,1]=4 1146 B12R1.125 CC(=O)CCN1CCCCC1C 269982a_100000211376_100000053229 [0,1,0,0,0,0|2,0,0]=3 1147 B12R1.125 CC(=O)CCN1CCOC[C@@H]1C 269982a_100009815349_100000053229 [0,1,0,0,0,0|3,0,0]=4 1148 B12R1.125 CC(=O)COC1CCCCC1=O 34a_100000211253_100000754470 [0,1,0,0,0,0|2,0,1]=4 1149 B12R1.125 CC(=O)COC1CCCCC1C 1458a_100011223357_200000210301 [0,1,0,0,0,0|2,0,0]=3 1150 B12R1.125 CC(=O)COC1CCCCC1F 34a_100000211253_100015423560 [0,1,0,0,0,0|2,0,0]=3 1151 B12R1.125 CC(=O)COC1CCCCC1O 34a_100000211253_100000038908 [0,1,0,0,0,0|2,0,0]=3 1152 B12R1.125 CC(=O)NCC1CCCCC1O 240690a_100011216029_100015343762 [0,1,0,0,0,0|2,0,0]=3 1153 B12R1.125 CC(=O)NCC1CCCCC1O 527a_100011216029_100103153847 [0,1,0,0,0,0|2,0,0]=3 1154 B12R1.125 CC(=O)NCC1CCCCN1C 240690a_100011228421_100015343762 [0,1,0,0,0,0|3,0,0]=4 1155 B12R1.125 CC(=O)NCC1CCCCN1C 527a_100011228421_100103153847 [0,1,0,0,0,0|3,0,0]=4 1156 B12R1.125 CC(=O)OCN1CCCCC1C 269982a_100000211376_100000076356 [0,1,0,0,0,0|3,0,0]=4 1157 B12R1.125 CC(=O)OCN1CCCCC1C 34a_100000211376_100009813279 [0,1,0,0,0,0|3,0,0]=4 1158 B12R1.125 CC(O)CCN1CCCCC1C 2230a_100000211376_100012276601 [0,1,0,0,0,0|2,0,1]=4 1159 B12R1.125 CC(O)CCN1CCCCC1C 269982a_100000211376_100012276601 [0,1,0,0,0,0|2,0,1]=4 1160 B12R1.125 CC(O)CCN1CCCCC1C 34a_100000211376_100012276601 [0,1,0,0,0,0|2,0,1]=4 1161 B12R1.125 CC(O)CNC1CCCCC1C 2230a_100000211402_100011218427 [0,1,0,0,0,0|2,0,1]=4 1162 B12R1.125 CC(O)CNC1CCCCC1C 269862a_100000210904_100000210921 [0,1,0,0,0,0|2,0,1]=4 1163 B12R1.125 CC(O)CNC1CCCCC1C 270004a_100000210904_100000210921 [0,1,0,0,0,0|2,0,1]=4 1164 B12R1.125 CC(O)CNC1CCCCC1C 34a_100000211402_100011218427 [0,1,0,0,0,0|2,0,1]=4 1165 B12R1.125 CC(O)CNC1CCCCC1F 34a_100000210904_100015423560 [0,1,0,0,0,0|2,0,1]=4 1166 B12R1.125 CC(O)CNC1CCCCC1O 34a_100000210904_100000038908 [0,1,0,0,0,0|2,0,1]=4 1167 B12R1.125 CC(O)CN[C@@H]1CCCC[C@H]1F 2230a_100015195156_100011218427 [0,1,0,0,0,0|2,0,1]=4 1168 B12R1.125 CC(O)CN[C@@H]1CCCC[C@H]1F 34a_100015195156_100011218427 [0,1,0,0,0,0|2,0,1]=4 1169 B12R1.125 CC(O)COC1CCCCC1C 34a_100000211207_100011218427 [0,1,0,0,0,0|2,0,1]=4 1170 B12R1.125 CC(O)COC1CCCCC1C 7a_100000211207_100011218427 [0,1,0,0,0,0|2,0,1]=4 1171 B12R1.125 CC(O)COC1CCCCC1Cl 34a_100000038908_100011218427 [0,1,0,0,0,0|2,0,1]=4 1172 B12R1.125 CC(O)COC1CCCCC1Cl 7a_100000038908_100011218427 [0,1,0,0,0,0|2,0,1]=4 1173 B12R1.125 CC(O)CO[C@@H]1CCCC[C@H]1F 34a_100009816020_100011218427 [0,1,0,0,0,0|2,0,1]=4 1174 B12R1.125 CC(O)CO[C@@H]1CCCC[C@H]1F 7a_100009816020_100011218427 [0,1,0,0,0,0|2,0,1]=4 1175 B12R1.125 CC(O)CO[C@H]1CCCC[C@H]1N 34a_100015191688_100011218427 [0,1,0,0,0,0|2,0,1]=4 1176 B12R1.125 CC(O)CSC1CCCCC1F 62a_100011218427_100015423560 [0,1,0,0,0,0|2,0,1]=4 1177 B12R1.125 CC(O)CSC1CCCCC1F 62a_100015423560_100011218427 [0,1,0,0,0,0|2,0,1]=4 1178 B12R1.125 CC(O)CSC1CCCCC1O 62a_100000038908_100011218427 [0,1,0,0,0,0|2,0,1]=4 1179 B12R1.125 CC(O)CSC1CCCCC1O 62a_100011218427_100000038908 [0,1,0,0,0,0|2,0,1]=4 1180 B12R1.125 CC1CCCCC1NCC(=O)N 2230a_100000211402_100000747473 [0,1,0,0,0,0|2,0,0]=3 1181 B12R1.125 CC1CCCCC1NCC(=O)N 34a_100000211402_100000187820 [0,1,0,0,0,0|2,0,0]=3 1182 B12R1.125 CC1CCCCC1NCC(=O)[O-] 34a_100000211402_100020667443 [0,1,0,0,0,0|1,0,1]=3 1183 B12R1.125 CC1CCCCC1NC[C@@H](C)O 2230a_100000211402_100009817552 [0,1,0,0,0,0|2,0,1]=4 1184 B12R1.125 CC1CCCCC1NC[C@@H](C)O 34a_100000211402_100009817552 [0,1,0,0,0,0|2,0,1]=4 1185 B12R1.125 CC1CCCCC1NC[N+](=O)[O-] 34a_100000211402_100000761209 [0,1,0,0,0,0|2,0,1]=4 1186 B12R1.125 CC1CCCCC1OCC(=O)N 34a_100000211207_100000187820 [0,1,0,0,0,0|2,0,0]=3 1187 B12R1.125 CC1CCCCC1OCC(=O)N 7a_100000211207_100000187820 [0,1,0,0,0,0|2,0,0]=3 1188 B12R1.125 CC1CCCCC1OCC(=O)[13CH3] 1458a_100011223357_200025704644 [0,1,0,0,0,0|2,0,0]=3 1189 B12R1.125 CC1CCCCC1OCC(=O)[O-] 34a_100000211207_100020667443 [0,1,0,0,0,0|1,0,1]=3 1190 B12R1.125 CC1CCCCC1OC[C@@H](C)O 34a_100000211207_100009817552 [0,1,0,0,0,0|2,0,1]=4 1191 B12R1.125 CC1CCCCC1OC[C@@H](C)O 7a_100000211207_100009817552 [0,1,0,0,0,0|2,0,1]=4 1192 B12R1.125 CC1CCCCC1OC[N+](=O)[O-] 34a_100000211207_100000761209 [0,1,0,0,0,0|2,0,1]=4 1193 B12R1.125 CC1CCCCN1CCC(=O)N 2230a_100000211376_100000744528 [0,1,0,0,0,0|2,0,0]=3 1194 B12R1.125 CC1CCCCN1CCC(=O)N 269982a_100000211376_100000744528 [0,1,0,0,0,0|2,0,0]=3 1195 B12R1.125 CC1CCCCN1CCC(=O)N 34a_100000211376_100000731001 [0,1,0,0,0,0|2,0,0]=3 1196 B12R1.125 CC1CCNCC1OCC(=O)N 34a_100000696640_100000187820 [0,1,0,0,0,0|3,0,0]=4 1197 B12R1.125 CC1CCNCC1OCC(=O)[O-] 34a_100000696640_100020667443 [0,1,0,0,0,0|2,0,1]=4 1198 B12R1.125 CC1CNCCC1OCC(=O)N 34a_100011998114_100000187820 [0,1,0,0,0,0|3,0,0]=4 1199 B12R1.125 CC1CNCCC1OCC(=O)[O-] 34a_100011998114_100020667443 [0,1,0,0,0,0|2,0,1]=4 1200 B12R1.125 CN1CCCCC1CCC(=O)O 269956a_100000694054_200000210301 [0,1,0,0,0,0|1,0,0]=2 1201 B12R1.125 CN1CCCCC1CCC(=O)[13CH3] 1458a_100000718493_200025704644 [0,1,0,0,0,0|2,0,0]=3 1202 B12R1.125 C[C@@H](O)CN[C@@H]1CCCC[C@H]1F 2230a_100015195156_100009817552 [0,1,0,0,0,0|2,0,1]=4 1203 B12R1.125 C[C@@H](O)CN[C@@H]1CCCC[C@H]1F 34a_100015195156_100009817552 [0,1,0,0,0,0|2,0,1]=4 1204 B12R1.125 C[C@@H](O)COC1CCCCC1Cl 34a_100000038908_100009817552 [0,1,0,0,0,0|2,0,1]=4 1205 B12R1.125 C[C@@H](O)COC1CCCCC1Cl 7a_100000038908_100009817552 [0,1,0,0,0,0|2,0,1]=4 1206 B12R1.125 C[C@@H](O)CO[C@@H]1CCCC[C@H]1F 34a_100009816020_100009817552 [0,1,0,0,0,0|2,0,1]=4 1207 B12R1.125 C[C@@H](O)CO[C@@H]1CCCC[C@H]1F 7a_100009816020_100009817552 [0,1,0,0,0,0|2,0,1]=4 1208 B12R1.125 C[C@@H](O)CO[C@H]1CCCC[C@H]1N 34a_100015191688_100009817552 [0,1,0,0,0,0|2,0,1]=4 1209 B12R1.125 C[C@@H](O)CSC1CCCCC1F 62a_100009817552_100015423560 [0,1,0,0,0,0|2,0,1]=4 1210 B12R1.125 C[C@@H](O)CSC1CCCCC1F 62a_100015423560_100009817552 [0,1,0,0,0,0|2,0,1]=4 1211 B12R1.125 C[C@@H](O)CSC1CCCCC1O 62a_100000038908_100009817552 [0,1,0,0,0,0|2,0,1]=4 1212 B12R1.125 C[C@@H](O)CSC1CCCCC1O 62a_100009817552_100000038908 [0,1,0,0,0,0|2,0,1]=4 1213 B12R1.125 C[C@H]1COCCN1CCC(=O)N 2230a_100009815349_100000744528 [0,1,0,0,0,0|3,0,0]=4 1214 B12R1.125 C[C@H]1COCCN1CCC(=O)N 269982a_100009815349_100000744528 [0,1,0,0,0,0|3,0,0]=4 1215 B12R1.125 C[C@H]1COCCN1CCC(=O)N 34a_100009815349_100000731001 [0,1,0,0,0,0|3,0,0]=4 1216 B12R1.125 NC(=O)CN[C@@H]1CCCC[C@H]1F 2230a_100015195156_100000747473 [0,1,0,0,0,0|2,0,0]=3 1217 B12R1.125 NC(=O)CN[C@@H]1CCCC[C@H]1F 34a_100015195156_100000187820 [0,1,0,0,0,0|2,0,0]=3 1218 B12R1.125 NC(=O)CN[C@@H]1CCOC[C@@H]1O 2230a_100016994285_100000747473 [0,1,0,0,0,0|3,0,0]=4 1219 B12R1.125 NC(=O)CN[C@H]1CCOC[C@@H]1F 2230a_100016994078_100000747473 [0,1,0,0,0,0|3,0,0]=4 1220 B12R1.125 NC(=O)CN[C@H]1CCOC[C@@H]1F 34a_100016994078_100000187820 [0,1,0,0,0,0|3,0,0]=4 1221 B12R1.125 NC(=O)CN[C@H]1COCC[C@@H]1O 2230a_100015739063_100000747473 [0,1,0,0,0,0|3,0,0]=4 1222 B12R1.125 NC(=O)COC1CCCCC1=O 34a_100011214950_100000187820 [0,1,0,0,0,0|2,0,1]=4 1223 B12R1.125 NC(=O)COC1CCCCC1Cl 34a_100000038908_100000187820 [0,1,0,0,0,0|2,0,0]=3 1224 B12R1.125 NC(=O)COC1CCCCC1Cl 7a_100000038908_100000187820 [0,1,0,0,0,0|2,0,0]=3 1225 B12R1.125 NC(=O)CO[C@@H]1CCCC[C@H]1F 34a_100009816020_100000187820 [0,1,0,0,0,0|2,0,0]=3 1226 B12R1.125 NC(=O)CO[C@@H]1CCCC[C@H]1F 7a_100009816020_100000187820 [0,1,0,0,0,0|2,0,0]=3 1227 B12R1.125 NC(=O)CO[C@@H]1CCNC[C@@H]1F 34a_200016994291_100000187820 [0,1,0,0,0,0|3,0,0]=4 1228 B12R1.125 NC(=O)CO[C@H]1CCCC[C@H]1N 34a_100015191688_100000187820 [0,1,0,0,0,0|2,0,0]=3 1229 B12R1.125 NC(=O)CO[C@H]1CCOC[C@@H]1N 34a_100015739063_100000187820 [0,1,0,0,0,0|3,0,0]=4 1230 B12R1.125 NC(=O)CO[C@H]1COCC[C@H]1N 34a_100016994285_100000187820 [0,1,0,0,0,0|3,0,0]=4 1231 B12R1.125 NC(=O)CSC1CCCCC1=O 62a_100000204591_100000747473 [0,1,0,0,0,0|2,0,1]=4 1232 B12R1.125 NC(=O)CSC1CCCCC1=O 62a_100000747473_100000204591 [0,1,0,0,0,0|2,0,1]=4 1233 B12R1.125 NC(=O)CSC1CCCCC1F 62a_100000747473_100015423560 [0,1,0,0,0,0|2,0,0]=3 1234 B12R1.125 NC(=O)CSC1CCCCC1F 62a_100015423560_100000747473 [0,1,0,0,0,0|2,0,0]=3 1235 B12R1.125 NC(=O)CSC1CCCCC1O 62a_100000038908_100000747473 [0,1,0,0,0,0|2,0,0]=3 1236 B12R1.125 NC(=O)CSC1CCCCC1O 62a_100000747473_100000038908 [0,1,0,0,0,0|2,0,0]=3 1237 B12R1.125 N[C@@H]1CCCC[C@@H]1OCC(=O)[O-] 34a_100015191688_100020667443 [0,1,0,0,0,0|1,0,1]=3 1238 B12R1.125 N[C@@H]1CCCC[C@@H]1OC[N+](=O)[O-] 34a_100015191688_100000761209 [0,1,0,0,0,0|2,0,1]=4 1239 B12R1.125 N[C@@H]1CCOC[C@@H]1OCC(=O)[O-] 34a_100016994285_100020667443 [0,1,0,0,0,0|2,0,1]=4 1240 B12R1.125 N[C@H]1COCC[C@@H]1OCC(=O)[O-] 34a_100015739063_100020667443 [0,1,0,0,0,0|2,0,1]=4 1241 B12R1.125 O=C(O)CNC1CCCCC1=O 269956a_100016091260_100000204591 [0,1,0,0,0,0|1,0,1]=3 1242 B12R1.125 O=C(O)CNC1CCCCC1F 269956a_100016091260_100015423560 [0,1,0,0,0,0|1,0,0]=2 1243 B12R1.125 O=C(O)CNC1CCCCC1O 269956a_100016091260_100000038908 [0,1,0,0,0,0|1,0,0]=2 1244 B12R1.125 O=C(O)CNC1CCCNC1=O 269956a_100016091260_100000687798 [0,1,0,0,0,0|2,0,1]=4 1245 B12R1.125 O=C(O)CNC1COCCC1=O 269956a_100016091260_100012180262 [0,1,0,0,0,0|2,0,1]=4 1246 B12R1.125 O=C([O-])CN[C@@H]1CCCC[C@H]1F 34a_100015195156_100020667443 [0,1,0,0,0,0|1,0,1]=3 1247 B12R1.125 O=C([O-])CN[C@H]1CCOC[C@@H]1F 34a_100016994078_100020667443 [0,1,0,0,0,0|2,0,1]=4 1248 B12R1.125 O=C([O-])COC1CCCCC1=O 34a_100011214950_100020667443 [0,1,0,0,0,0|1,0,2]=4 1249 B12R1.125 O=C([O-])COC1CCCCC1Cl 34a_100000038908_100020667443 [0,1,0,0,0,0|1,0,1]=3 1250 B12R1.125 O=C([O-])CO[C@@H]1CCCC[C@H]1F 34a_100009816020_100020667443 [0,1,0,0,0,0|1,0,1]=3 1251 B12R1.125 O=C([O-])CO[C@@H]1CCNC[C@@H]1F 34a_200016994291_100020667443 [0,1,0,0,0,0|2,0,1]=4 1252 B12R1.125 O=C([O-])CSC1CCCCC1=O 62a_100000204591_100020667443 [0,1,0,0,0,0|1,0,2]=4 1253 B12R1.125 O=C([O-])CSC1CCCCC1=O 62a_100020667443_100000204591 [0,1,0,0,0,0|1,0,2]=4 1254 B12R1.125 O=C([O-])CSC1CCCCC1F 62a_100015423560_100020667443 [0,1,0,0,0,0|1,0,1]=3 1255 B12R1.125 O=C([O-])CSC1CCCCC1F 62a_100020667443_100015423560 [0,1,0,0,0,0|1,0,1]=3 1256 B12R1.125 O=C([O-])CSC1CCCCC1O 62a_100000038908_100020667443 [0,1,0,0,0,0|1,0,1]=3 1257 B12R1.125 O=C([O-])CSC1CCCCC1O 62a_100020667443_100000038908 [0,1,0,0,0,0|1,0,1]=3 1258 B12R1.125 O=[N+]([O-])CN[C@@H]1CCCC[C@H]1F 34a_100015195156_100000761209 [0,1,0,0,0,0|2,0,1]=4 1259 B12R1.125 O=[N+]([O-])COC1CCCCC1Cl 34a_100000038908_100000761209 [0,1,0,0,0,0|2,0,1]=4 1260 B12R1.125 O=[N+]([O-])CO[C@@H]1CCCC[C@H]1F 34a_100009816020_100000761209 [0,1,0,0,0,0|2,0,1]=4 1261 B12R1.125 O=[N+]([O-])CSC1CCCCC1F 62a_100015423560_100000761209 [0,1,0,0,0,0|2,0,1]=4 1262 B12R1.125 O=[N+]([O-])CSC1CCCCC1O 62a_100000038908_100000761209 [0,1,0,0,0,0|2,0,1]=4 1263 B12R1.125 [13CH3]C(=O)CCN1CCCCC1=O 1458a_100011236303_200025704644 [0,1,0,0,0,0|2,0,1]=4 1264 B12R1.125 [13CH3]N1CCCCC1CCC(=O)O 269956a_100000694054_200025704644 [0,1,0,0,0,0|1,0,0]=2 1265 B12R1.226 C=C(C)CCN1CCCC(C1)F 2230a_100000697950_100000730704 [0,1,0,0,0,0|3,0,0]=4 1266 B12R1.226 C=C(C)CCN1CCCC(C1)F 269982a_100000697950_100000730704 [0,1,0,0,0,0|3,0,0]=4 1267 B12R1.226 C=C(C)CCN1CCCC(C1)F 34a_100000697950_100000730704 [0,1,0,0,0,0|3,0,0]=4 1268 B12R1.226 C=C(C)CCN1CCCC(C1)O 2230a_100000211013_100000730704 [0,1,0,0,0,0|3,0,0]=4 1269 B12R1.226 C=C(C)CCN1CCCC(C1)O 269982a_100000211013_100000730704 [0,1,0,0,0,0|3,0,0]=4 1270 B12R1.226 C=C(C)CCN1CCC[C@@H](C1)C 2230a_100000717927_100000730704 [0,1,0,0,0,0|3,0,0]=4 1271 B12R1.226 C=C(C)CCN1CCC[C@@H](C1)C 269982a_100000717927_100000730704 [0,1,0,0,0,0|3,0,0]=4 1272 B12R1.226 C=C(C)CCN1CCC[C@@H](C1)C 34a_100000717927_100000730704 [0,1,0,0,0,0|3,0,0]=4 1273 B12R1.226 C=C(C)CNC1CCCC(C1)C 2230a_100011194320_100000748629 [0,1,0,0,0,0|3,0,0]=4 1274 B12R1.226 C=C(C)CNC1CCCC(C1)C 34a_100011194320_100000748629 [0,1,0,0,0,0|3,0,0]=4 1275 B12R1.226 C=C(C)CNC1CCCC(C1)O 2230a_100015190357_100000748629 [0,1,0,0,0,0|3,0,0]=4 1276 B12R1.226 C=C(C)COC1CCCC(C1)C 34a_100000211399_100000748629 [0,1,0,0,0,0|3,0,0]=4 1277 B12R1.226 C=C(F)CNC1CCCC(C1)C 2230a_100011194320_100009893438 [0,1,0,0,0,0|3,0,0]=4 1278 B12R1.226 C=C(F)CNC1CCCC(C1)C 34a_100011194320_100009893438 [0,1,0,0,0,0|3,0,0]=4 1279 B12R1.226 C=C(F)CNC1CCCC(C1)O 2230a_100015190357_100009893438 [0,1,0,0,0,0|3,0,0]=4 1280 B12R1.226 C=C(F)COC1CCCC(C1)C 34a_100000211399_100009893438 [0,1,0,0,0,0|3,0,0]=4 1281 B12R1.226 CC(=O)CCC1CCCN(C1)C 1458a_100015186358_200000210301 [0,1,0,0,0,0|2,0,0]=3 1282 B12R1.226 CC(=O)CCN1CCCC(C1)C 1458a_100000070787_100000766211 [0,1,0,0,0,0|2,0,0]=3 1283 B12R1.226 CC(=O)CCN1CCCC(C1)C 1458a_200000177587_200000210301 [0,1,0,0,0,0|2,0,0]=3 1284 B12R1.226 CC(=O)CCN1CCCC(C1)F 269982a_100000697950_100000053229 [0,1,0,0,0,0|2,0,0]=3 1285 B12R1.226 CC(=O)CCN1CCCC(C1)O 269982a_100000211013_100000053229 [0,1,0,0,0,0|2,0,0]=3 1286 B12R1.226 CC(=O)CCN1CCC[C@@H](C1)C 269982a_100000717927_100000053229 [0,1,0,0,0,0|2,0,0]=3 1287 B12R1.226 CC(=O)CCN1CCOC(C1)C 269982a_100000729577_100000053229 [0,1,0,0,0,0|3,0,0]=4 1288 B12R1.226 CC(=O)CCN1CCOC(C1)O 269982a_100000688207_100000053229 [0,1,0,0,0,0|3,0,0]=4 1289 B12R1.226 CC(=O)NCC1CCCC(C1)O 1626a_100011254705_100015343762 [0,1,0,0,0,0|2,0,0]=3 1290 B12R1.226 CC(=O)NCC1CCCC(C1)O 240690a_100011254705_100015343762 [0,1,0,0,0,0|2,0,0]=3 1291 B12R1.226 CC(=O)NCC1CCCC(C1)O 527a_100011254705_100103153847 [0,1,0,0,0,0|2,0,0]=3 1292 B12R1.226 CC(=O)NCC1CCCN(C1)C 2230a_100011207013_200000210301 [0,1,0,0,0,0|3,0,0]=4 1293 B12R1.226 CC(=O)NCC1CCCN(C1)C 269982a_100011207013_200000210301 [0,1,0,0,0,0|3,0,0]=4 1294 B12R1.226 CC(=O)NCC1CCCN(C1)C 34a_100011207013_200000210301 [0,1,0,0,0,0|3,0,0]=4 1295 B12R1.226 CC(=O)NCC1CCCN(C1)[13CH3] 2230a_100011207013_200025704644 [0,1,0,0,0,0|3,0,0]=4 1296 B12R1.226 CC(=O)NCC1CCCN(C1)[13CH3] 269982a_100011207013_200025704644 [0,1,0,0,0,0|3,0,0]=4 1297 B12R1.226 CC(=O)NCC1CCCN(C1)[13CH3] 34a_100011207013_200025704644 [0,1,0,0,0,0|3,0,0]=4 1298 B12R1.226 CC(=O)NC[C@@H]1CCCN(C1)C 240690a_100016993746_100015343762 [0,1,0,0,0,0|3,0,0]=4 1299 B12R1.226 CC(=O)NC[C@@H]1CCCN(C1)C 527a_100016993746_100103153847 [0,1,0,0,0,0|3,0,0]=4 1300 B12R1.226 CC(=O)OCC1CCCN(C1)C 2230a_100025751563_200000210301 [0,1,0,0,0,0|3,0,0]=4 1301 B12R1.226 CC(=O)OCC1CCCN(C1)C 269982a_100025751563_200000210301 [0,1,0,0,0,0|3,0,0]=4 1302 B12R1.226 CC(=O)OCC1CCCN(C1)[13CH3] 2230a_100025751563_200025704644 [0,1,0,0,0,0|3,0,0]=4 1303 B12R1.226 CC(=O)OCC1CCCN(C1)[13CH3] 269982a_100025751563_200025704644 [0,1,0,0,0,0|3,0,0]=4 1304 B12R1.226 CC(=O)OCN1CCCC(C1)F 269982a_100000697950_100000076356 [0,1,0,0,0,0|3,0,0]=4 1305 B12R1.226 CC(=O)OCN1CCCC(C1)F 34a_100000697950_100009813279 [0,1,0,0,0,0|3,0,0]=4 1306 B12R1.226 CC(=O)OCN1CCCC(C1)O 269982a_100000211013_100000076356 [0,1,0,0,0,0|3,0,0]=4 1307 B12R1.226 CC(=O)OCN1CCC[C@@H](C1)C 269982a_100000717927_100000076356 [0,1,0,0,0,0|3,0,0]=4 1308 B12R1.226 CC(=O)OCN1CCC[C@@H](C1)C 34a_100000717927_100009813279 [0,1,0,0,0,0|3,0,0]=4 1309 B12R1.226 CC(O)CCN1CCCC(C1)F 2230a_100000697950_100012276601 [0,1,0,0,0,0|2,0,1]=4 1310 B12R1.226 CC(O)CCN1CCCC(C1)F 269982a_100000697950_100012276601 [0,1,0,0,0,0|2,0,1]=4 1311 B12R1.226 CC(O)CCN1CCCC(C1)F 34a_100000697950_100012276601 [0,1,0,0,0,0|2,0,1]=4 1312 B12R1.226 CC(O)CCN1CCCC(C1)O 2230a_100000211013_100012276601 [0,1,0,0,0,0|2,0,1]=4 1313 B12R1.226 CC(O)CCN1CCCC(C1)O 269982a_100000211013_100012276601 [0,1,0,0,0,0|2,0,1]=4 1314 B12R1.226 CC(O)CCN1CCC[C@@H](C1)C 2230a_100000717927_100012276601 [0,1,0,0,0,0|2,0,1]=4 1315 B12R1.226 CC(O)CCN1CCC[C@@H](C1)C 269982a_100000717927_100012276601 [0,1,0,0,0,0|2,0,1]=4 1316 B12R1.226 CC(O)CCN1CCC[C@@H](C1)C 34a_100000717927_100012276601 [0,1,0,0,0,0|2,0,1]=4 1317 B12R1.226 CC(O)CNC1CCCC(C1)C 2230a_100011194320_100011218427 [0,1,0,0,0,0|2,0,1]=4 1318 B12R1.226 CC(O)CNC1CCCC(C1)C 270004a_100000210904_100000183594 [0,1,0,0,0,0|2,0,1]=4 1319 B12R1.226 CC(O)CNC1CCCC(C1)C 34a_100011194320_100011218427 [0,1,0,0,0,0|2,0,1]=4 1320 B12R1.226 CC(O)CNC1CCCC(C1)O 2230a_100015190357_100011218427 [0,1,0,0,0,0|2,0,1]=4 1321 B12R1.226 CC(O)CNC1CCCC(C1)O 270004a_100000210904_100012613340 [0,1,0,0,0,0|2,0,1]=4 1322 B12R1.226 CC(O)COC1CCCC(C1)C 34a_100000211399_100011218427 [0,1,0,0,0,0|2,0,1]=4 1323 B12R1.226 CC1CC(CCO1)OCC(=O)N 34a_100011986385_100000187820 [0,1,0,0,0,0|3,0,0]=4 1324 B12R1.226 CC1CC(CCO1)OCC(=O)N 7a_100011986385_100000187820 [0,1,0,0,0,0|3,0,0]=4 1325 B12R1.226 CC1CC(CCO1)OCC(=O)[O-] 34a_100011986385_100020667443 [0,1,0,0,0,0|2,0,1]=4 1326 B12R1.226 CC1CCCC(C1)NCC(=O)N 2230a_100011194320_100000747473 [0,1,0,0,0,0|2,0,0]=3 1327 B12R1.226 CC1CCCC(C1)NCC(=O)N 34a_100011194320_100000187820 [0,1,0,0,0,0|2,0,0]=3 1328 B12R1.226 CC1CCCC(C1)NCC(=O)[O-] 34a_100011194320_100020667443 [0,1,0,0,0,0|1,0,1]=3 1329 B12R1.226 CC1CCCC(C1)NC[C@@H](C)O 2230a_100011194320_100009817552 [0,1,0,0,0,0|2,0,1]=4 1330 B12R1.226 CC1CCCC(C1)NC[C@@H](C)O 34a_100011194320_100009817552 [0,1,0,0,0,0|2,0,1]=4 1331 B12R1.226 CC1CCCC(C1)NC[N+](=O)[O-] 34a_100011194320_100000761209 [0,1,0,0,0,0|2,0,1]=4 1332 B12R1.226 CC1CCCC(C1)OCC(=O)N 34a_100000211399_100000187820 [0,1,0,0,0,0|2,0,0]=3 1333 B12R1.226 CC1CCCC(C1)OCC(=O)[O-] 34a_100000211399_100020667443 [0,1,0,0,0,0|1,0,1]=3 1334 B12R1.226 CC1CCCC(C1)OC[C@@H](C)O 34a_100000211399_100009817552 [0,1,0,0,0,0|2,0,1]=4 1335 B12R1.226 CC1CCCC(C1)OC[N+](=O)[O-] 34a_100000211399_100000761209 [0,1,0,0,0,0|2,0,1]=4 1336 B12R1.226 CC1CCCN(C1)CCC(=O)[13CH3] 1458a_200000177587_200025704644 [0,1,0,0,0,0|2,0,0]=3 1337 B12R1.226 CC1CN(CCO1)CCC(=O)N 2230a_100000729577_100000744528 [0,1,0,0,0,0|3,0,0]=4 1338 B12R1.226 CC1CN(CCO1)CCC(=O)N 269982a_100000729577_100000744528 [0,1,0,0,0,0|3,0,0]=4 1339 B12R1.226 CC1CN(CCO1)CCC(=O)N 34a_100000729577_100000731001 [0,1,0,0,0,0|3,0,0]=4 1340 B12R1.226 CN1CCCC(C1)CCC(=O)N 2230a_100011533967_200000210301 [0,1,0,0,0,0|2,0,0]=3 1341 B12R1.226 CN1CCCC(C1)CCC(=O)N 269982a_100011533967_200000210301 [0,1,0,0,0,0|2,0,0]=3 1342 B12R1.226 CN1CCCC(C1)CCC(=O)N 34a_100011533967_200000210301 [0,1,0,0,0,0|2,0,0]=3 1343 B12R1.226 CN1CCCC(C1)CCC(=O)[13CH3] 1458a_100015186358_200025704644 [0,1,0,0,0,0|2,0,0]=3 1344 B12R1.226 C[C@@H](O)CNC1CCCC(C1)O 2230a_100015190357_100009817552 [0,1,0,0,0,0|2,0,1]=4 1345 B12R1.226 C[C@H]1CCCN(C1)CCC(=O)N 2230a_100000717927_100000744528 [0,1,0,0,0,0|2,0,0]=3 1346 B12R1.226 C[C@H]1CCCN(C1)CCC(=O)N 269982a_100000717927_100000744528 [0,1,0,0,0,0|2,0,0]=3 1347 B12R1.226 C[C@H]1CCCN(C1)CCC(=O)N 34a_100000717927_100000731001 [0,1,0,0,0,0|2,0,0]=3 1348 B12R1.226 NC(=O)CCN1CCCC(C1)F 2230a_100000697950_100000744528 [0,1,0,0,0,0|2,0,0]=3 1349 B12R1.226 NC(=O)CCN1CCCC(C1)F 269982a_100000697950_100000744528 [0,1,0,0,0,0|2,0,0]=3 1350 B12R1.226 NC(=O)CCN1CCCC(C1)F 34a_100000697950_100000731001 [0,1,0,0,0,0|2,0,0]=3 1351 B12R1.226 NC(=O)CCN1CCCC(C1)O 2230a_100000211013_100000744528 [0,1,0,0,0,0|2,0,0]=3 1352 B12R1.226 NC(=O)CCN1CCCC(C1)O 269982a_100000211013_100000744528 [0,1,0,0,0,0|2,0,0]=3 1353 B12R1.226 NC(=O)CCN1CCOC(C1)O 2230a_100000688207_100000744528 [0,1,0,0,0,0|3,0,0]=4 1354 B12R1.226 NC(=O)CCN1CCOC(C1)O 269982a_100000688207_100000744528 [0,1,0,0,0,0|3,0,0]=4 1355 B12R1.226 NC(=O)CNC1CCCC(C1)O 2230a_100015190357_100000747473 [0,1,0,0,0,0|2,0,0]=3 1356 B12R1.226 NC(=O)COC1CCCC(=O)C1 34a_100012613340_100000187820 [0,1,0,0,0,0|2,0,1]=4 1357 B12R1.226 O=C([O-])COC1CCCC(=O)C1 34a_100012613340_100020667443 [0,1,0,0,0,0|1,0,2]=4 1358 B12R1.226 [13CH3]N1CCCC(C1)CCC(=O)N 2230a_100011533967_200025704644 [0,1,0,0,0,0|2,0,0]=3 1359 B12R1.226 [13CH3]N1CCCC(C1)CCC(=O)N 269982a_100011533967_200025704644 [0,1,0,0,0,0|2,0,0]=3 1360 B12R1.226 [13CH3]N1CCCC(C1)CCC(=O)N 34a_100011533967_200025704644 [0,1,0,0,0,0|2,0,0]=3 1361 B12R1.891 CC(C)(O)CNC1CCCCC1 270004a_100000751335_100000210434 [0,1,0,0,0,0|2,0,1]=4 1362 B12R1.891 CC(C)(O)CNC1CCCCC1 34a_100000182618_100000764493 [0,1,0,0,0,0|2,0,1]=4 1363 B12R1.891 CC(C)(O)COC1CCCCC1 34a_100000210231_100000764493 [0,1,0,0,0,0|2,0,1]=4 1364 B12R1.891 CC(C)(O)COC1CCCCC1 7a_100000210231_100000764493 [0,1,0,0,0,0|2,0,1]=4 1365 B12R1.891 CC(C)(O)CSC1CCCCC1 62a_100000210327_100000764493 [0,1,0,0,0,0|2,0,1]=4 1366 B12R1.891 CC(C)(O)CSC1CCCCC1 62a_100000764493_100000210327 [0,1,0,0,0,0|2,0,1]=4 1367 B12R1.891 CS(=O)(=O)NCC1CCCCC1 40a_100000210473_100000738038 [0,1,0,0,0,0|2,0,1]=4 1368 B12R1.891 NS(=O)(=O)CSC1CCCCC1 62a_100000210327_100000741382 [0,1,0,0,0,0|2,0,1]=4 1369 B12R1.891 NS(=O)(=O)CSC1CCCCC1 62a_100000741382_100000210327 [0,1,0,0,0,0|2,0,1]=4 1370 B12R1.891 O=S(=O)([O-])CNC1CCCCC1 34a_100000182618_100009817235 [0,1,0,0,0,0|2,0,1]=4 1371 B12R1.891 O=S(=O)([O-])COC1CCCCC1 34a_100000210231_100009817235 [0,1,0,0,0,0|2,0,1]=4 1372 B12R1.891 O=S(=O)([O-])CSC1CCCCC1 62a_100000210327_100009817235 [0,1,0,0,0,0|2,0,1]=4 1373 B12R1.891 O=S(=O)([O-])CSC1CCCCC1 62a_100009817235_100000210327 [0,1,0,0,0,0|2,0,1]=4 1374 B12R1.3110 C=C(C)CNC1(CCCCC1)C 2230a_100000741114_100000748629 [0,1,0,0,0,0|3,0,0]=4 1375 B12R1.3110 C=C(C)CNC1(CCCCC1)C 34a_100000741114_100000748629 [0,1,0,0,0,0|3,0,0]=4 1376 B12R1.3110 C=C(C)COC1(CCCCC1)C 34a_100011215885_100000748629 [0,1,0,0,0,0|3,0,0]=4 1377 B12R1.3110 C=C(C)COC1(CCCCC1)C 7a_100011215885_100000748629 [0,1,0,0,0,0|3,0,0]=4 1378 B12R1.3110 C=C(F)CNC1(CCCCC1)C 2230a_100000741114_100009893438 [0,1,0,0,0,0|3,0,0]=4 1379 B12R1.3110 C=C(F)CNC1(CCCCC1)C 34a_100000741114_100009893438 [0,1,0,0,0,0|3,0,0]=4 1380 B12R1.3110 C=C(F)COC1(CCCCC1)C 34a_100011215885_100009893438 [0,1,0,0,0,0|3,0,0]=4 1381 B12R1.3110 C=C(F)COC1(CCCCC1)C 7a_100011215885_100000042424 [0,1,0,0,0,0|3,0,0]=4 1382 B12R1.3110 CC(=O)NCC1(CCCCC1)C 11a_100000706052_100015343762 [0,1,0,0,0,0|2,0,0]=3 1383 B12R1.3110 CC(=O)NCC1(CCCCC1)C 1626a_100000706052_100015343762 [0,1,0,0,0,0|2,0,0]=3 1384 B12R1.3110 CC(=O)NCC1(CCCCC1)C 240690a_100000706052_100015343762 [0,1,0,0,0,0|2,0,0]=3 1385 B12R1.3110 CC(=O)NCC1(CCCCC1)C 527a_100000706052_100103153847 [0,1,0,0,0,0|2,0,0]=3 1386 B12R1.3110 CC(=O)NCC1(CCCCC1)O 11a_100000748649_100015343762 [0,1,0,0,0,0|2,0,0]=3 1387 B12R1.3110 CC(=O)NCC1(CCCCC1)O 1626a_100000748649_100015343762 [0,1,0,0,0,0|2,0,0]=3 1388 B12R1.3110 CC(=O)NCC1(CCCCC1)O 240690a_100000748649_100015343762 [0,1,0,0,0,0|2,0,0]=3 1389 B12R1.3110 CC(=O)NCC1(CCCCC1)O 527a_100000748649_100103153847 [0,1,0,0,0,0|2,0,0]=3 1390 B12R1.3110 CC(=O)NCC1(CCOCC1)C 11a_100000695556_100015343762 [0,1,0,0,0,0|3,0,0]=4 1391 B12R1.3110 CC(=O)NCC1(CCOCC1)C 1626a_100000695556_100015343762 [0,1,0,0,0,0|3,0,0]=4 1392 B12R1.3110 CC(=O)NCC1(CCOCC1)C 240690a_100000695556_100015343762 [0,1,0,0,0,0|3,0,0]=4 1393 B12R1.3110 CC(=O)NCC1(CCOCC1)C 527a_100000695556_100103153847 [0,1,0,0,0,0|3,0,0]=4 1394 B12R1.3110 CC(=O)NCC1(CCOCC1)F 11a_100016991512_100015343762 [0,1,0,0,0,0|3,0,0]=4 1395 B12R1.3110 CC(=O)NCC1(CCOCC1)F 1626a_100016991512_100015343762 [0,1,0,0,0,0|3,0,0]=4 1396 B12R1.3110 CC(=O)NCC1(CCOCC1)F 240690a_100016991512_100015343762 [0,1,0,0,0,0|3,0,0]=4 1397 B12R1.3110 CC(=O)NCC1(CCOCC1)F 527a_100016991512_100103153847 [0,1,0,0,0,0|3,0,0]=4 1398 B12R1.3110 CC(=O)NCC1(CCOCC1)O 11a_100000704115_100015343762 [0,1,0,0,0,0|3,0,0]=4 1399 B12R1.3110 CC(=O)NCC1(CCOCC1)O 240690a_100000704115_100015343762 [0,1,0,0,0,0|3,0,0]=4 1400 B12R1.3110 CC(=O)NCC1(CCOCC1)O 527a_100000704115_100103153847 [0,1,0,0,0,0|3,0,0]=4 1401 B12R1.3110 CC(=O)NCC1(CCSCC1)O 11a_100000758141_100015343762 [0,1,0,0,0,0|3,0,0]=4 1402 B12R1.3110 CC(=O)NCC1(CCSCC1)O 240690a_100000758141_100015343762 [0,1,0,0,0,0|3,0,0]=4 1403 B12R1.3110 CC(=O)NCC1(CCSCC1)O 527a_100000758141_100103153847 [0,1,0,0,0,0|3,0,0]=4 1404 B12R1.3110 CC(O)CNC1(CCCCC1)C 2230a_100000741114_100011218427 [0,1,0,0,0,0|2,0,1]=4 1405 B12R1.3110 CC(O)CNC1(CCCCC1)C 34a_100000741114_100011218427 [0,1,0,0,0,0|2,0,1]=4 1406 B12R1.3110 CC(O)COC1(CCCCC1)C 34a_100011215885_100011218427 [0,1,0,0,0,0|2,0,1]=4 1407 B12R1.3110 CC(O)COC1(CCCCC1)C 7a_100011215885_100011218427 [0,1,0,0,0,0|2,0,1]=4 1408 B12R1.3110 CC1(CCCCC1)NCC(=O)N 2230a_100000741114_100000747473 [0,1,0,0,0,0|2,0,0]=3 1409 B12R1.3110 CC1(CCCCC1)NCC(=O)N 34a_100000741114_100000187820 [0,1,0,0,0,0|2,0,0]=3 1410 B12R1.3110 CC1(CCCCC1)NCC(=O)[O-] 34a_100000741114_100020667443 [0,1,0,0,0,0|1,0,1]=3 1411 B12R1.3110 CC1(CCCCC1)NC[N+](=O)[O-] 34a_100000741114_100000761209 [0,1,0,0,0,0|2,0,1]=4 1412 B12R1.3110 CC1(CCCCC1)OCC(=O)N 34a_100011215885_100000187820 [0,1,0,0,0,0|2,0,0]=3 1413 B12R1.3110 CC1(CCCCC1)OCC(=O)N 7a_100011215885_100000187820 [0,1,0,0,0,0|2,0,0]=3 1414 B12R1.3110 CC1(CCCCC1)OCC(=O)[O-] 34a_100011215885_100020667443 [0,1,0,0,0,0|1,0,1]=3 1415 B12R1.3110 CC1(CCCCC1)OC[N+](=O)[O-] 34a_100011215885_100000761209 [0,1,0,0,0,0|2,0,1]=4 1416 B12R1.3110 CC1(CCOCC1)NCC(=O)N 2230a_100000692449_100000747473 [0,1,0,0,0,0|3,0,0]=4 1417 B12R1.3110 CC1(CCOCC1)NCC(=O)N 34a_100000692449_100000187820 [0,1,0,0,0,0|3,0,0]=4 1418 B12R1.3110 CC1(CCOCC1)NCC(=O)[O-] 34a_100000692449_100020667443 [0,1,0,0,0,0|2,0,1]=4 1419 B12R1.3110 CC1(CCOCC1)OCC(=O)N 34a_100011827762_100000187820 [0,1,0,0,0,0|3,0,0]=4 1420 B12R1.3110 CC1(CCOCC1)OCC(=O)N 7a_100011827762_100000187820 [0,1,0,0,0,0|3,0,0]=4 1421 B12R1.3110 CC1(CCOCC1)OCC(=O)[O-] 34a_100011827762_100020667443 [0,1,0,0,0,0|2,0,1]=4 1422 B12R1.3110 CC1(CCSCC1)OCC(=O)N 34a_200011004327_100000187820 [0,1,0,0,0,0|3,0,0]=4 1423 B12R1.3110 CC1(CCSCC1)OCC(=O)N 7a_200011004327_100000187820 [0,1,0,0,0,0|3,0,0]=4 1424 B12R1.3110 CC1(CCSCC1)OCC(=O)[O-] 34a_200011004327_100020667443 [0,1,0,0,0,0|2,0,1]=4 1425 B12R1.3110 C[C@@H](O)CNC1(CCCCC1)C 2230a_100000741114_100009817552 [0,1,0,0,0,0|2,0,1]=4 1426 B12R1.3110 C[C@@H](O)CNC1(CCCCC1)C 34a_100000741114_100009817552 [0,1,0,0,0,0|2,0,1]=4 1427 B12R1.3110 C[C@@H](O)COC1(CCCCC1)C 34a_100011215885_100009817552 [0,1,0,0,0,0|2,0,1]=4 1428 B12R1.3110 C[C@@H](O)COC1(CCCCC1)C 7a_100011215885_100009817552 [0,1,0,0,0,0|2,0,1]=4 1429 B10R0.4 C#CCCCCCCC(=O)C 1458a_100000034748_200000210301 [0,0,1,0,0,0|1,0,2]=4 1430 B10R0.4 C#CCCCCCCC(=O)C 1458a_100000070787_100012276617 [0,0,1,0,0,0|1,0,2]=4 1431 B10R0.4 C#CCCCCCCC(=O)[13CH3] 1458a_100000034748_200025704644 [0,0,1,0,0,0|1,0,2]=4 1432 B10R0.4 C#CCCCCNCC(=O)O 269956a_100016091260_100010269958 [0,0,1,0,0,0|1,0,2]=4 1433 B10R0.4 C=C(Br)CCOCCCCC 34a_100009813270_100000718602 [0,0,1,0,0,0|3,0,0]=4 1434 B10R0.4 C=C(C)CCNCCCCC 2230a_100000209983_100000730704 [0,0,1,0,0,0|3,0,0]=4 1435 B10R0.4 C=C(C)CCOCCCCC 34a_100000210253_100000730704 [0,0,1,0,0,0|3,0,0]=4 1436 B10R0.4 C=C(C)CCOCCCCC 34a_100000764851_100000718602 [0,0,1,0,0,0|3,0,0]=4 1437 B10R0.4 C=C(C)CCOCCCCC 7a_100000210253_100000730704 [0,0,1,0,0,0|3,0,0]=4 1438 B10R0.4 C=C(C)CCSCCCCC 62a_100000210326_100000730704 [0,0,1,0,0,0|3,0,0]=4 1439 B10R0.4 C=C(C)CCSCCCCC 62a_100000730704_100000210326 [0,0,1,0,0,0|3,0,0]=4 1440 B10R0.4 C=C(C)CNCCCCCC 2230a_100000210581_100000748629 [0,0,1,0,0,0|3,0,0]=4 1441 B10R0.4 C=C(C)COCCCCCC 34a_100000210245_100000210314 [0,0,1,0,0,0|3,0,0]=4 1442 B10R0.4 C=C(C)COCCCCCC 34a_100000210259_100000748629 [0,0,1,0,0,0|3,0,0]=4 1443 B10R0.4 C=C(C)COCCCCCC 7a_100000210259_100000748629 [0,0,1,0,0,0|3,0,0]=4 1444 B10R0.4 C=C(C)CSCCCCCC 62a_100000210314_100000211660 [0,0,1,0,0,0|3,0,0]=4 1445 B10R0.4 C=C(C)CSCCCCCC 62a_100000748629_100000210757 [0,0,1,0,0,0|3,0,0]=4 1446 B10R0.4 C=C(F)CNCCCCCC 2230a_100000210581_100009893438 [0,0,1,0,0,0|3,0,0]=4 1447 B10R0.4 C=C(F)COCCCCCC 34a_100000210259_100009893438 [0,0,1,0,0,0|3,0,0]=4 1448 B10R0.4 C=C(F)COCCCCCC 34a_200010262243_100000210314 [0,0,1,0,0,0|3,0,0]=4 1449 B10R0.4 C=C(F)COCCCCCC 7a_100000210259_100000042424 [0,0,1,0,0,0|3,0,0]=4 1450 B10R0.4 C=C(F)CSCCCCCC 62a_100000042424_100000210757 [0,0,1,0,0,0|3,0,0]=4 1451 B10R0.4 C=C(F)CSCCCCCC 62a_100000210314_100000042424 [0,0,1,0,0,0|3,0,0]=4 1452 B10R0.4 C=CCCCCCCC(=O)C 1458a_100000070787_100011215473 [0,0,1,0,0,0|1,0,2]=4 1453 B10R0.4 C=CCCCCCCC(=O)C 1458a_100011809334_200000210301 [0,0,1,0,0,0|1,0,2]=4 1454 B10R0.4 C=CCCCCCCC(=O)[13CH3] 1458a_100011809334_200025704644 [0,0,1,0,0,0|1,0,2]=4 1455 B10R0.4 C=CCCCCNCC(=O)O 269956a_100016091260_100011215482 [0,0,1,0,0,0|1,0,2]=4 1456 B10R0.4 CC(=O)CCCCCCC#N 1458a_100000070787_100009813337 [0,0,1,0,0,0|2,0,1]=4 1457 B10R0.4 CC(=O)CCCCCCCO 1458a_100000070787_100000760002 [0,0,1,0,0,0|2,0,0]=3 1458 B10R0.4 CC(=O)CCCCCCCO 1458a_100011219782_200000210301 [0,0,1,0,0,0|2,0,0]=3 1459 B10R0.4 CC(=O)CCCCNCCF 34a_100000724931_100009817362 [0,0,1,0,0,0|3,0,0]=4 1460 B10R0.4 CC(=O)CCCCNCCO 34a_100016990907_100009817362 [0,0,1,0,0,0|3,0,0]=4 1461 B10R0.4 CC(=O)CCCCOCCBr 34a_100000211926_100009817362 [0,0,1,0,0,0|3,0,0]=4 1462 B10R0.4 CC(=O)CCCCOCCN 34a_100000210304_100009817362 [0,0,1,0,0,0|3,0,0]=4 1463 B10R0.4 CC(=O)CCCCSCCF 62a_100000735457_100011217306 [0,0,1,0,0,0|3,0,0]=4 1464 B10R0.4 CC(=O)CCCCSCCF 62a_100011217306_100000735457 [0,0,1,0,0,0|3,0,0]=4 1465 B10R0.4 CC(=O)CCCCSCCO 62a_100000211926_100000735457 [0,0,1,0,0,0|3,0,0]=4 1466 B10R0.4 CC(=O)CCCCSCCO 62a_100000735457_100000211926 [0,0,1,0,0,0|3,0,0]=4 1467 B10R0.4 CC(=O)CCCNCCCF 34a_100015189416_100000685027 [0,0,1,0,0,0|3,0,0]=4 1468 B10R0.4 CC(=O)CCCOCCCBr 34a_100011217188_100000685027 [0,0,1,0,0,0|3,0,0]=4 1469 B10R0.4 CC(=O)CCCOCCCCl 34a_100000230001_100000685027 [0,0,1,0,0,0|3,0,0]=4 1470 B10R0.4 CC(=O)CCCOCCCF 34a_100000759063_100011934791 [0,0,1,0,0,0|3,0,0]=4 1471 B10R0.4 CC(=O)CCCOCCCF 34a_100000759539_100000685027 [0,0,1,0,0,0|3,0,0]=4 1472 B10R0.4 CC(=O)CCCOCCCF 7a_100000759063_100011934791 [0,0,1,0,0,0|3,0,0]=4 1473 B10R0.4 CC(=O)CCCOCCCN 34a_100000182051_100000685027 [0,0,1,0,0,0|3,0,0]=4 1474 B10R0.4 CC(=O)CCCOCCCO 34a_100000759063_100000230001 [0,0,1,0,0,0|3,0,0]=4 1475 B10R0.4 CC(=O)CCCOCCCO 7a_100000759063_100011215043 [0,0,1,0,0,0|3,0,0]=4 1476 B10R0.4 CC(=O)CCCSCCCF 62a_100011215641_100011934791 [0,0,1,0,0,0|3,0,0]=4 1477 B10R0.4 CC(=O)CCCSCCCF 62a_100011934791_100011215641 [0,0,1,0,0,0|3,0,0]=4 1478 B10R0.4 CC(=O)CCCSCCCO 62a_100011215043_100011215641 [0,0,1,0,0,0|3,0,0]=4 1479 B10R0.4 CC(=O)CCCSCCCO 62a_100011215641_100011215043 [0,0,1,0,0,0|3,0,0]=4 1480 B10R0.4 CC(=O)CCOCCCCCl 7a_100000210776_100000053229 [0,0,1,0,0,0|3,0,0]=4 1481 B10R0.4 CC(=O)CCOCCCCF 34a_100000759926_100000729493 [0,0,1,0,0,0|3,0,0]=4 1482 B10R0.4 CC(=O)CCOCCCCF 7a_100000759926_100000729493 [0,0,1,0,0,0|3,0,0]=4 1483 B10R0.4 CC(=O)CCOCCCCF 7a_100011995726_100000053229 [0,0,1,0,0,0|3,0,0]=4 1484 B10R0.4 CC(=O)CCOCCCCO 34a_100000759926_100011216708 [0,0,1,0,0,0|3,0,0]=4 1485 B10R0.4 CC(=O)CCOCCCCO 7a_100000759926_100000210776 [0,0,1,0,0,0|3,0,0]=4 1486 B10R0.4 CC(=O)CCSCCCCF 62a_100000053229_100000729493 [0,0,1,0,0,0|3,0,0]=4 1487 B10R0.4 CC(=O)CCSCCCCF 62a_100000729493_100000053229 [0,0,1,0,0,0|3,0,0]=4 1488 B10R0.4 CC(=O)CCSCCCCO 62a_100000053229_100000210776 [0,0,1,0,0,0|3,0,0]=4 1489 B10R0.4 CC(=O)CCSCCCCO 62a_100000210776_100000053229 [0,0,1,0,0,0|3,0,0]=4 1490 B10R0.4 CC(=O)COCCCCCF 34a_100000211253_100000729378 [0,0,1,0,0,0|3,0,0]=4 1491 B10R0.4 CC(=O)COCCCCCO 34a_100000211253_100000746330 [0,0,1,0,0,0|3,0,0]=4 1492 B10R0.4 CC(=O)NCCCCCCO 240690a_100000686447_100015343762 [0,0,1,0,0,0|3,0,0]=4 1493 B10R0.4 CC(=O)NCCCCCCO 527a_100000686447_100103153847 [0,0,1,0,0,0|3,0,0]=4 1494 B10R0.4 CC(=O)NCCCCCN[13CH3] 2230a_200012022750_200025704644 [0,0,1,0,0,0|3,0,0]=4 1495 B10R0.4 CC(=O)NCCCCCN[13CH3] 34a_200012022750_200025704644 [0,0,1,0,0,0|3,0,0]=4 1496 B10R0.4 CC(=O)OCCCCCS[13CH3] 62a_100000033007_200025704644 [0,0,1,0,0,0|3,0,0]=4 1497 B10R0.4 CC(=O)OCCCCCS[13CH3] 62a_200025704644_100000033007 [0,0,1,0,0,0|3,0,0]=4 1498 B10R0.4 CC/C=C\CCNCC(=O)O 269956a_100016091260_100015370543 [0,0,1,0,0,0|1,0,2]=4 1499 B10R0.4 CCCCC/C=C/CC(=O)C 1458a_100020675968_200000210301 [0,0,1,0,0,0|1,0,2]=4 1500 B10R0.4 CCCCC/C=C/CC(=O)[13CH3] 1458a_100020675968_200025704644 [0,0,1,0,0,0|1,0,2]=4 1501 B10R0.4 CCCCCC#CCC(=O)C 1458a_100000070787_100009816472 [0,0,1,0,0,0|1,0,2]=4 1502 B10R0.4 CCCCCCC=CC(=O)C 1458a_200015324643_200000210301 [0,0,1,0,0,0|1,0,2]=4 1503 B10R0.4 CCCCCCC=CC(=O)[13CH3] 1458a_200015324643_200025704644 [0,0,1,0,0,0|1,0,2]=4 1504 B10R0.4 CCCCCCCCC(=O)C 1458a_100000070787_100000210759 [0,0,1,0,0,0|1,0,0]=2 1505 B10R0.4 CCCCCCCCC(=O)C 1458a_100000210188_200000210301 [0,0,1,0,0,0|1,0,0]=2 1506 B10R0.4 CCCCCCCCC(=O)[13CH3] 1458a_100000210188_200025704644 [0,0,1,0,0,0|1,0,0]=2 1507 B10R0.4 CCCCCCCCN(C)C 2230a_100000207567_200000210301 [0,0,1,0,0,0|3,0,0]=4 1508 B10R0.4 CCCCCCCCN(C)C 2230a_100102631434_100000210759 [0,0,1,0,0,0|3,0,0]=4 1509 B10R0.4 CCCCCCCCN(C)C 269982a_100000207567_200000210301 [0,0,1,0,0,0|3,0,0]=4 1510 B10R0.4 CCCCCCCCN(C)C 269982a_100102631434_100000210759 [0,0,1,0,0,0|3,0,0]=4 1511 B10R0.4 CCCCCCCCN(C)[13CH3] 2230a_100000207567_200025704644 [0,0,1,0,0,0|3,0,0]=4 1512 B10R0.4 CCCCCCCCN(C)[13CH3] 269982a_100000207567_200025704644 [0,0,1,0,0,0|3,0,0]=4 1513 B10R0.4 CCCCCCCNC(=O)C 11a_100000229938_100015343762 [0,0,1,0,0,0|2,0,0]=3 1514 B10R0.4 CCCCCCCNC(=O)C 1626a_100000229938_100015343762 [0,0,1,0,0,0|2,0,0]=3 1515 B10R0.4 CCCCCCCNC(=O)C 240690a_100000229938_100015343762 [0,0,1,0,0,0|2,0,0]=3 1516 B10R0.4 CCCCCCCNC(=O)C 527a_100000229938_100103153847 [0,0,1,0,0,0|2,0,0]=3 1517 B10R0.4 CCCCCCNCC(=O)N 2230a_100000210581_100000747473 [0,0,1,0,0,0|2,0,0]=3 1518 B10R0.4 CCCCCCNCC(=O)N 2230a_100000711301_100000210314 [0,0,1,0,0,0|2,0,0]=3 1519 B10R0.4 CCCCCCNCC(=O)O 269956a_100016091260_100000210757 [0,0,1,0,0,0|1,0,0]=2 1520 B10R0.4 CCCCCCNCC(C)O 2230a_100000210581_100011218427 [0,0,1,0,0,0|2,0,1]=4 1521 B10R0.4 CCCCCCNCC(C)O 2230a_100000210904_100000210314 [0,0,1,0,0,0|2,0,1]=4 1522 B10R0.4 CCCCCCNCC(C)O 34a_100000210904_100000210314 [0,0,1,0,0,0|2,0,1]=4 1523 B10R0.4 CCCCCCNC[C@@H](C)O 2230a_100000210581_100009817552 [0,0,1,0,0,0|2,0,1]=4 1524 B10R0.4 CCCCCCOCC(=O)C 34a_100000211253_100000210314 [0,0,1,0,0,0|2,0,0]=3 1525 B10R0.4 CCCCCCOCC(=O)N 34a_100000210259_100000187820 [0,0,1,0,0,0|2,0,0]=3 1526 B10R0.4 CCCCCCOCC(=O)N 7a_100000210259_100000187820 [0,0,1,0,0,0|2,0,0]=3 1527 B10R0.4 CCCCCCOCC(=O)[O-] 34a_100000210259_100020667443 [0,0,1,0,0,0|1,0,1]=3 1528 B10R0.4 CCCCCCOCC(C)O 34a_100000210259_100011218427 [0,0,1,0,0,0|2,0,1]=4 1529 B10R0.4 CCCCCCOCC(C)O 7a_100000210259_100011218427 [0,0,1,0,0,0|2,0,1]=4 1530 B10R0.4 CCCCCCOC[C@@H](C)O 34a_100000210259_100009817552 [0,0,1,0,0,0|2,0,1]=4 1531 B10R0.4 CCCCCCOC[C@@H](C)O 7a_100000210259_100009817552 [0,0,1,0,0,0|2,0,1]=4 1532 B10R0.4 CCCCCCOC[N+](=O)[O-] 34a_100000210259_100000761209 [0,0,1,0,0,0|2,0,1]=4 1533 B10R0.4 CCCCCCSCC(=O)N 62a_100000210314_100000747473 [0,0,1,0,0,0|2,0,0]=3 1534 B10R0.4 CCCCCCSCC(=O)N 62a_100000747473_100000210757 [0,0,1,0,0,0|2,0,0]=3 1535 B10R0.4 CCCCCCSCC(=O)[O-] 62a_100000210314_100020667443 [0,0,1,0,0,0|1,0,1]=3 1536 B10R0.4 CCCCCCSCC(=O)[O-] 62a_100020667443_100000210757 [0,0,1,0,0,0|1,0,1]=3 1537 B10R0.4 CCCCCCSCC(C)O 62a_100000210314_100011218427 [0,0,1,0,0,0|2,0,1]=4 1538 B10R0.4 CCCCCCSCC(C)O 62a_100011218427_100000210757 [0,0,1,0,0,0|2,0,1]=4 1539 B10R0.4 CCCCCCSC[C@@H](C)O 62a_100000210314_100009817552 [0,0,1,0,0,0|2,0,1]=4 1540 B10R0.4 CCCCCCSC[C@@H](C)O 62a_100009817552_100000210757 [0,0,1,0,0,0|2,0,1]=4 1541 B10R0.4 CCCCCCSC[N+](=O)[O-] 62a_100000210314_100000761209 [0,0,1,0,0,0|2,0,1]=4 1542 B10R0.4 CCCCCNCCC(=O)N 2230a_100000209983_100000744528 [0,0,1,0,0,0|2,0,0]=3 1543 B10R0.4 CCCCCNCCC(C)O 2230a_100000209983_100012276601 [0,0,1,0,0,0|2,0,1]=4 1544 B10R0.4 CCCCCNCCC(C)O 2230a_200000755665_100000210326 [0,0,1,0,0,0|2,0,1]=4 1545 B10R0.4 CCCCCNOCC(=O)O 269956a_100000106656_100000210326 [0,0,1,0,0,0|2,0,0]=3 1546 B10R0.4 CCCCCOCCC(=O)C 34a_100000759926_100000718602 [0,0,1,0,0,0|2,0,0]=3 1547 B10R0.4 CCCCCOCCC(=O)C 7a_100000210253_100000053229 [0,0,1,0,0,0|2,0,0]=3 1548 B10R0.4 CCCCCOCCC(=O)C 7a_100000759926_100000210326 [0,0,1,0,0,0|2,0,0]=3 1549 B10R0.4 CCCCCOCCC(=O)N 34a_100000210253_100000731001 [0,0,1,0,0,0|2,0,0]=3 1550 B10R0.4 CCCCCOCCC(=O)N 34a_100000757172_100000718602 [0,0,1,0,0,0|2,0,0]=3 1551 B10R0.4 CCCCCOCCC(=O)N 7a_100000210253_100000744528 [0,0,1,0,0,0|2,0,0]=3 1552 B10R0.4 CCCCCOCCC(=O)N 7a_100000757172_100000210326 [0,0,1,0,0,0|2,0,0]=3 1553 B10R0.4 CCCCCOCCC(C)O 34a_100000210253_100012276601 [0,0,1,0,0,0|2,0,1]=4 1554 B10R0.4 CCCCCOCCC(C)O 7a_100000210253_100012276601 [0,0,1,0,0,0|2,0,1]=4 1555 B10R0.4 CCCCCOCOC(=O)C 34a_100000210253_100009813279 [0,0,1,0,0,0|3,0,0]=4 1556 B10R0.4 CCCCCSCCC(=O)C 62a_100000053229_100000210326 [0,0,1,0,0,0|2,0,0]=3 1557 B10R0.4 CCCCCSCCC(=O)C 62a_100000210326_100000053229 [0,0,1,0,0,0|2,0,0]=3 1558 B10R0.4 CCCCCSCCC(=O)N 62a_100000210326_100000744528 [0,0,1,0,0,0|2,0,0]=3 1559 B10R0.4 CCCCCSCCC(=O)N 62a_100000744528_100000210326 [0,0,1,0,0,0|2,0,0]=3 1560 B10R0.4 CCCCCSCCC(C)O 62a_100000210326_100012276601 [0,0,1,0,0,0|2,0,1]=4 1561 B10R0.4 CCCCCSCCC(C)O 62a_100012276601_100000210326 [0,0,1,0,0,0|2,0,1]=4 1562 B10R0.4 CCCCCSCOC(=O)C 62a_100000076356_100000210326 [0,0,1,0,0,0|3,0,0]=4 1563 B10R0.4 CCCCCSCOC(=O)C 62a_100000210326_100000076356 [0,0,1,0,0,0|3,0,0]=4 1564 B10R0.4 CCCCNCCCC(=O)C 7a_106832991798_100011215641 [0,0,1,0,0,0|2,0,0]=3 1565 B10R0.4 CCCCNCCCC(=O)N 34a_100000739312_100000210210 [0,0,1,0,0,0|2,0,0]=3 1566 B10R0.4 CCCCNCCCC(=O)N 7a_106832991798_100102525003 [0,0,1,0,0,0|2,0,0]=3 1567 B10R0.4 CCCCNCCCC(C)O 2230a_100000102301_200000718107 [0,0,1,0,0,0|2,0,1]=4 1568 B10R0.4 CCCCNCCCC(C)O 7a_106832991798_200000718107 [0,0,1,0,0,0|2,0,1]=4 1569 B10R0.4 CCCCNCCCS(=O)C 2230a_200000753449_100000210211 [0,0,1,0,0,0|3,0,0]=4 1570 B10R0.4 CCCCNCCNC(=O)C 2230a_100000102301_100000189650 [0,0,1,0,0,0|3,0,0]=4 1571 B10R0.4 CCCCNCCNC(=O)C 2230a_100000209853_100000210211 [0,0,1,0,0,0|3,0,0]=4 1572 B10R0.4 CCCCNCCNC(=O)C 7a_106832991798_100000189650 [0,0,1,0,0,0|3,0,0]=4 1573 B10R0.4 CCCCNCCNC(=O)N 2230a_100000102301_200000034859 [0,0,1,0,0,0|3,0,0]=4 1574 B10R0.4 CCCCNCCNC(=O)N 34a_100020590234_100000210210 [0,0,1,0,0,0|3,0,0]=4 1575 B10R0.4 CCCCNCCNC(=O)N 7a_106832991798_200000034859 [0,0,1,0,0,0|3,0,0]=4 1576 B10R0.4 CCCCNCCOC(=O)C 7a_106832991798_100009814007 [0,0,1,0,0,0|3,0,0]=4 1577 B10R0.4 CCCCNCCOC(=O)N 7a_106832991798_200011214921 [0,0,1,0,0,0|3,0,0]=4 1578 B10R0.4 CCCCOCCCC(=O)C 34a_100000210227_100000685027 [0,0,1,0,0,0|2,0,0]=3 1579 B10R0.4 CCCCOCCCC(=O)C 34a_100000759063_100000210210 [0,0,1,0,0,0|2,0,0]=3 1580 B10R0.4 CCCCOCCCC(=O)C 7a_100000210227_100011215641 [0,0,1,0,0,0|2,0,0]=3 1581 B10R0.4 CCCCOCCCC(=O)C 7a_100000759063_100000210211 [0,0,1,0,0,0|2,0,0]=3 1582 B10R0.4 CCCCOCCCC(=O)N 34a_100000210227_100102525003 [0,0,1,0,0,0|2,0,0]=3 1583 B10R0.4 CCCCOCCCC(=O)N 7a_100000210227_100102525003 [0,0,1,0,0,0|2,0,0]=3 1584 B10R0.4 CCCCOCCCC(C)O 34a_100000210227_200000718107 [0,0,1,0,0,0|2,0,1]=4 1585 B10R0.4 CCCCOCCCC(C)O 7a_100000210227_200000718107 [0,0,1,0,0,0|2,0,1]=4 1586 B10R0.4 CCCCOCCC[N+](=O)[O-] 34a_200000037920_100000210210 [0,0,1,0,0,0|2,0,1]=4 1587 B10R0.4 CCCCOCCNC(=O)C 34a_100000158858_100000210210 [0,0,1,0,0,0|3,0,0]=4 1588 B10R0.4 CCCCOCCNC(=O)C 7a_100000210227_100000189650 [0,0,1,0,0,0|3,0,0]=4 1589 B10R0.4 CCCCOCCNC(=O)N 34a_100000181757_100000210210 [0,0,1,0,0,0|3,0,0]=4 1590 B10R0.4 CCCCOCCNC(=O)N 7a_100000210227_200000034859 [0,0,1,0,0,0|3,0,0]=4 1591 B10R0.4 CCCCOCCOC(=O)C 34a_100000210227_100009814007 [0,0,1,0,0,0|3,0,0]=4 1592 B10R0.4 CCCCOCCOC(=O)C 7a_100000210227_100009814007 [0,0,1,0,0,0|3,0,0]=4 1593 B10R0.4 CCCCOCCOC(=O)N 34a_100000210227_200011214921 [0,0,1,0,0,0|3,0,0]=4 1594 B10R0.4 CCCCOCCOC(=O)N 7a_100000210227_200011214921 [0,0,1,0,0,0|3,0,0]=4 1595 B10R0.4 CCCCOCCOC(=O)N 7a_100000766696_100000210211 [0,0,1,0,0,0|3,0,0]=4 1596 B10R0.4 CCCCOCNCC(=O)N 2230a_100000711301_100011995733 [0,0,1,0,0,0|3,0,0]=4 1597 B10R0.4 CCCCOCNCC(=O)O 269956a_100016091260_100011995733 [0,0,1,0,0,0|2,0,0]=3 1598 B10R0.4 CCCCOCOCC(=O)C 34a_100000211253_100011995733 [0,0,1,0,0,0|3,0,0]=4 1599 B10R0.4 CCCCOCSCC(=O)N 62a_100000747473_100011995733 [0,0,1,0,0,0|3,0,0]=4 1600 B10R0.4 CCCCOCSCC(=O)N 62a_100011995733_100000747473 [0,0,1,0,0,0|3,0,0]=4 1601 B10R0.4 CCCCOCSCC(=O)[O-] 62a_100011995733_100020667443 [0,0,1,0,0,0|2,0,1]=4 1602 B10R0.4 CCCCOCSCC(=O)[O-] 62a_100020667443_100011995733 [0,0,1,0,0,0|2,0,1]=4 1603 B10R0.4 CCCCSCCCC(=O)C 62a_100000210211_100011215641 [0,0,1,0,0,0|2,0,0]=3 1604 B10R0.4 CCCCSCCCC(=O)C 62a_100011215641_100000210210 [0,0,1,0,0,0|2,0,0]=3 1605 B10R0.4 CCCCSCCCC(=O)N 62a_100000210211_100102525003 [0,0,1,0,0,0|2,0,0]=3 1606 B10R0.4 CCCCSCCCC(=O)N 62a_100102525003_100000210210 [0,0,1,0,0,0|2,0,0]=3 1607 B10R0.4 CCCCSCCCC(C)O 62a_100000210211_200000718107 [0,0,1,0,0,0|2,0,1]=4 1608 B10R0.4 CCCCSCCCC(C)O 62a_200000718107_100000210210 [0,0,1,0,0,0|2,0,1]=4 1609 B10R0.4 CCCCSCCNC(=O)C 11a_100025743550_100015343762 [0,0,1,0,0,0|3,0,0]=4 1610 B10R0.4 CCCCSCCNC(=O)C 1626a_100025743550_100015343762 [0,0,1,0,0,0|3,0,0]=4 1611 B10R0.4 CCCCSCCNC(=O)C 240690a_100025743550_100015343762 [0,0,1,0,0,0|3,0,0]=4 1612 B10R0.4 CCCCSCCNC(=O)C 527a_100025743550_100103153847 [0,0,1,0,0,0|3,0,0]=4 1613 B10R0.4 CCCCSCCNC(=O)C 62a_100000189650_100000210210 [0,0,1,0,0,0|3,0,0]=4 1614 B10R0.4 CCCCSCCNC(=O)C 62a_100000210211_100000189650 [0,0,1,0,0,0|3,0,0]=4 1615 B10R0.4 CCCCSCCNC(=O)N 62a_100000210211_200000034859 [0,0,1,0,0,0|3,0,0]=4 1616 B10R0.4 CCCCSCCNC(=O)N 62a_200000034859_100000210210 [0,0,1,0,0,0|3,0,0]=4 1617 B10R0.4 CCCCSCCOC(=O)C 62a_100000210211_100009814007 [0,0,1,0,0,0|3,0,0]=4 1618 B10R0.4 CCCCSCCOC(=O)C 62a_100009814007_100000210210 [0,0,1,0,0,0|3,0,0]=4 1619 B10R0.4 CCCCSCCOC(=O)N 62a_100000210211_200011214921 [0,0,1,0,0,0|3,0,0]=4 1620 B10R0.4 CCCCSCCOC(=O)N 62a_200011214921_100000210210 [0,0,1,0,0,0|3,0,0]=4 1621 B10R0.4 CCCNCCCCC(=O)N 34a_100000696515_100000210303 [0,0,1,0,0,0|2,0,0]=3 1622 B10R0.4 CCCNCCCNC(=O)C 34a_100000736810_100000210303 [0,0,1,0,0,0|3,0,0]=4 1623 B10R0.4 CCCNCCOCC(=O)O 269956a_100000700818_100000210207 [0,0,1,0,0,0|2,0,0]=3 1624 B10R0.4 CCCOCCCCB(O)O 34a_100000210258_200009817182 [0,0,1,0,0,0|2,0,1]=4 1625 B10R0.4 CCCOCCCCC(=O)C 34a_100000210258_100009817362 [0,0,1,0,0,0|2,0,0]=3 1626 B10R0.4 CCCOCCCCC(=O)N 34a_100012022536_100000210303 [0,0,1,0,0,0|2,0,0]=3 1627 B10R0.4 CCCOCCCCC(=O)N 7a_100012022536_100000210303 [0,0,1,0,0,0|2,0,0]=3 1628 B10R0.4 CCCOCCCC[N+](=O)[O-] 34a_200015379883_100000210303 [0,0,1,0,0,0|2,0,1]=4 1629 B10R0.4 CCCOCCCC[N+](=O)[O-] 7a_200015379883_100000210303 [0,0,1,0,0,0|2,0,1]=4 1630 B10R0.4 CCCOCCCNC(=O)C 1626a_100011217757_100015343762 [0,0,1,0,0,0|3,0,0]=4 1631 B10R0.4 CCCOCCCNC(=O)C 240690a_100011217757_100015343762 [0,0,1,0,0,0|3,0,0]=4 1632 B10R0.4 CCCOCCCNC(=O)C 34a_100000752032_100000210303 [0,0,1,0,0,0|3,0,0]=4 1633 B10R0.4 CCCOCCCNC(=O)C 527a_100011217757_100103153847 [0,0,1,0,0,0|3,0,0]=4 1634 B10R0.4 CCCOCCCOC(=O)C 34a_100000210258_100000042594 [0,0,1,0,0,0|3,0,0]=4 1635 B10R0.4 CCCOCCCSC(=O)C 34a_100000210258_100000038929 [0,0,1,0,0,0|3,0,0]=4 1636 B10R0.4 CCCOCCNCC(=O)N 2230a_100000711301_100011215938 [0,0,1,0,0,0|3,0,0]=4 1637 B10R0.4 CCCOCCNCC(=O)N 2230a_100161115042_100000747473 [0,0,1,0,0,0|3,0,0]=4 1638 B10R0.4 CCCOCCNCC(=O)N 34a_100161115042_100000187820 [0,0,1,0,0,0|3,0,0]=4 1639 B10R0.4 CCCOCCNCC(=O)O 269956a_100016091260_100011215938 [0,0,1,0,0,0|2,0,0]=3 1640 B10R0.4 CCCOCCNCC(=O)[O-] 34a_100161115042_100020667443 [0,0,1,0,0,0|2,0,1]=4 1641 B10R0.4 CCCOCCOCC(=O)C 34a_100000211253_100011215938 [0,0,1,0,0,0|3,0,0]=4 1642 B10R0.4 CCCOCCOCC(=O)N 34a_100000210258_100000076697 [0,0,1,0,0,0|3,0,0]=4 1643 B10R0.4 CCCOCCOCC(=O)N 34a_100000752267_100000187820 [0,0,1,0,0,0|3,0,0]=4 1644 B10R0.4 CCCOCCOCC(=O)N 7a_100000752267_100000187820 [0,0,1,0,0,0|3,0,0]=4 1645 B10R0.4 CCCOCCOCC(=O)[O-] 34a_100000752267_100020667443 [0,0,1,0,0,0|2,0,1]=4 1646 B10R0.4 CCCOCCSCC(=O)N 62a_100000747473_100011215938 [0,0,1,0,0,0|3,0,0]=4 1647 B10R0.4 CCCOCCSCC(=O)N 62a_100011215938_100000747473 [0,0,1,0,0,0|3,0,0]=4 1648 B10R0.4 CCCOCCSCC(=O)[O-] 62a_100011215938_100020667443 [0,0,1,0,0,0|2,0,1]=4 1649 B10R0.4 CCCOCCSCC(=O)[O-] 62a_100020667443_100011215938 [0,0,1,0,0,0|2,0,1]=4 1650 B10R0.4 CCCSCCCCB(O)O 62a_100000210303_200009817182 [0,0,1,0,0,0|2,0,1]=4 1651 B10R0.4 CCCSCCCCB(O)O 62a_200009817182_100000210303 [0,0,1,0,0,0|2,0,1]=4 1652 B10R0.4 CCCSCCCCC(=O)C 62a_100000210303_100000735457 [0,0,1,0,0,0|2,0,0]=3 1653 B10R0.4 CCCSCCCCC(=O)C 62a_100000735457_100000210303 [0,0,1,0,0,0|2,0,0]=3 1654 B10R0.4 CCCSCCCOC(=O)C 62a_100000042594_100000210303 [0,0,1,0,0,0|3,0,0]=4 1655 B10R0.4 CCCSCCCOC(=O)C 62a_100000210303_100000042594 [0,0,1,0,0,0|3,0,0]=4 1656 B10R0.4 CCCSCCCSC(=O)C 62a_100000038929_100000210303 [0,0,1,0,0,0|3,0,0]=4 1657 B10R0.4 CCCSCCCSC(=O)C 62a_100000210303_100000038929 [0,0,1,0,0,0|3,0,0]=4 1658 B10R0.4 CCCSCCNCC(=O)N 2230a_100020603323_100000747473 [0,0,1,0,0,0|3,0,0]=4 1659 B10R0.4 CCCSCCOCC(=O)N 34a_200000230433_100000187820 [0,0,1,0,0,0|3,0,0]=4 1660 B10R0.4 CCCSCCOCC(=O)N 62a_100000076697_100000210303 [0,0,1,0,0,0|3,0,0]=4 1661 B10R0.4 CCCSCCOCC(=O)N 62a_100000210303_100000076697 [0,0,1,0,0,0|3,0,0]=4 1662 B10R0.4 CCCSCCOCC(=O)N 7a_200000230433_100000187820 [0,0,1,0,0,0|3,0,0]=4 1663 B10R0.4 CCCSCCOCC(=O)[O-] 34a_200000230433_100020667443 [0,0,1,0,0,0|2,0,1]=4 1664 B10R0.4 CCNCCCCCB(O)O 2230a_100015525214_200009817188 [0,0,1,0,0,0|2,0,1]=4 1665 B10R0.4 CCNCCCCCC(=O)N 2230a_100015525214_100009817443 [0,0,1,0,0,0|2,0,0]=3 1666 B10R0.4 CCNCCCCNC(=O)C 2230a_200011368371_100000210202 [0,0,1,0,0,0|3,0,0]=4 1667 B10R0.4 CCNCCCCNC(=O)C 34a_200011368371_100000210202 [0,0,1,0,0,0|3,0,0]=4 1668 B10R0.4 CCNCCCCSC(=O)C 2230a_100015525214_200010402107 [0,0,1,0,0,0|3,0,0]=4 1669 B10R0.4 CCOCCCCCB(O)O 34a_100121572206_200009817188 [0,0,1,0,0,0|2,0,1]=4 1670 B10R0.4 CCOCCCCCC(=O)N 34a_100000123541_100000210202 [0,0,1,0,0,0|2,0,0]=3 1671 B10R0.4 CCOCCCCCC(=O)N 34a_100121572206_100009817443 [0,0,1,0,0,0|2,0,0]=3 1672 B10R0.4 CCOCCCCCC(=O)N 7a_100000123541_100000210202 [0,0,1,0,0,0|2,0,0]=3 1673 B10R0.4 CCOCCCCCC(=O)[O-] 7a_100102619762_100000210202 [0,0,1,0,0,0|1,0,1]=3 1674 B10R0.4 CCOCCCCOC(=O)C 34a_100000073216_100000210202 [0,0,1,0,0,0|3,0,0]=4 1675 B10R0.4 CCOCCCCOC(=O)C 34a_100121572206_100000033659 [0,0,1,0,0,0|3,0,0]=4 1676 B10R0.4 CCOCCCCOC(=O)C 7a_100000073216_100000210202 [0,0,1,0,0,0|3,0,0]=4 1677 B10R0.4 CCOCCCCSC(=O)C 34a_100121572206_200010402107 [0,0,1,0,0,0|3,0,0]=4 1678 B10R0.4 CCOCCCNCC(=O)N 2230a_100000210961_100000747473 [0,0,1,0,0,0|3,0,0]=4 1679 B10R0.4 CCOCCCNCC(=O)N 2230a_100000711301_100012232248 [0,0,1,0,0,0|3,0,0]=4 1680 B10R0.4 CCOCCCNCC(=O)N 34a_100000210961_100000187820 [0,0,1,0,0,0|3,0,0]=4 1681 B10R0.4 CCOCCCNCC(=O)O 269956a_100016091260_100012232248 [0,0,1,0,0,0|2,0,0]=3 1682 B10R0.4 CCOCCCNCC(=O)[O-] 34a_100000210961_100020667443 [0,0,1,0,0,0|2,0,1]=4 1683 B10R0.4 CCOCCCOCC(=O)C 34a_100000211253_100012232248 [0,0,1,0,0,0|3,0,0]=4 1684 B10R0.4 CCOCCCOCC(=O)N 34a_100000757476_100000187820 [0,0,1,0,0,0|3,0,0]=4 1685 B10R0.4 CCOCCCOCC(=O)N 7a_100000757476_100000187820 [0,0,1,0,0,0|3,0,0]=4 1686 B10R0.4 CCOCCCOCC(=O)[O-] 34a_100000757476_100020667443 [0,0,1,0,0,0|2,0,1]=4 1687 B10R0.4 CCOCCCSCC(=O)N 62a_100000747473_100012232248 [0,0,1,0,0,0|3,0,0]=4 1688 B10R0.4 CCOCCCSCC(=O)N 62a_100012232248_100000747473 [0,0,1,0,0,0|3,0,0]=4 1689 B10R0.4 CCOCCCSCC(=O)[O-] 62a_100012232248_100020667443 [0,0,1,0,0,0|2,0,1]=4 1690 B10R0.4 CCOCCCSCC(=O)[O-] 62a_100020667443_100012232248 [0,0,1,0,0,0|2,0,1]=4 1691 B10R0.4 CCOCCNCCC(=O)N 2230a_102516460346_100000744528 [0,0,1,0,0,0|3,0,0]=4 1692 B10R0.4 CCOCCNCCC(=O)N 34a_102516460346_100000731001 [0,0,1,0,0,0|3,0,0]=4 1693 B10R0.4 CCOCCNOCC(=O)O 269956a_100000106656_100000210147 [0,0,1,0,0,0|3,0,0]=4 1694 B10R0.4 CCOCCOCCC(=O)C 1458a_100000070787_100011211534 [0,0,1,0,0,0|3,0,0]=4 1695 B10R0.4 CCOCCOCCC(=O)C 34a_100000759926_100000210147 [0,0,1,0,0,0|3,0,0]=4 1696 B10R0.4 CCOCCOCCC(=O)C 7a_100000210136_100000053229 [0,0,1,0,0,0|3,0,0]=4 1697 B10R0.4 CCOCCOCCC(=O)C 7a_100000759926_100011215890 [0,0,1,0,0,0|3,0,0]=4 1698 B10R0.4 CCOCCOCCC(=O)N 34a_100000210136_100000731001 [0,0,1,0,0,0|3,0,0]=4 1699 B10R0.4 CCOCCOCCC(=O)N 34a_100000757172_100000210147 [0,0,1,0,0,0|3,0,0]=4 1700 B10R0.4 CCOCCOCCC(=O)N 7a_100000210136_100000744528 [0,0,1,0,0,0|3,0,0]=4 1701 B10R0.4 CCOCCOCCC(=O)N 7a_100000757172_100011215890 [0,0,1,0,0,0|3,0,0]=4 1702 B10R0.4 CCOCCSCCC(=O)C 62a_100000053229_100011215890 [0,0,1,0,0,0|3,0,0]=4 1703 B10R0.4 CCOCCSCCC(=O)C 62a_100000210147_100000053229 [0,0,1,0,0,0|3,0,0]=4 1704 B10R0.4 CCOCCSCCC(=O)N 62a_100000210147_100000744528 [0,0,1,0,0,0|3,0,0]=4 1705 B10R0.4 CCOCCSCCC(=O)N 62a_100000744528_100011215890 [0,0,1,0,0,0|3,0,0]=4 1706 B10R0.4 CCOCSCCCC(=O)C 62a_100000739092_100011215641 [0,0,1,0,0,0|3,0,0]=4 1707 B10R0.4 CCOCSCCCC(=O)C 62a_100011215641_100000739092 [0,0,1,0,0,0|3,0,0]=4 1708 B10R0.4 CCOCSCCCC(=O)N 62a_100000739092_100102525003 [0,0,1,0,0,0|3,0,0]=4 1709 B10R0.4 CCOCSCCCC(=O)N 62a_100102525003_100000739092 [0,0,1,0,0,0|3,0,0]=4 1710 B10R0.4 CCSCCCCCB(O)O 62a_100000210202_200009817188 [0,0,1,0,0,0|2,0,1]=4 1711 B10R0.4 CCSCCCCCB(O)O 62a_200009817188_100000210202 [0,0,1,0,0,0|2,0,1]=4 1712 B10R0.4 CCSCCCCCC(=O)N 62a_100000210202_100009817443 [0,0,1,0,0,0|2,0,0]=3 1713 B10R0.4 CCSCCCCCC(=O)N 62a_100009817443_100000210202 [0,0,1,0,0,0|2,0,0]=3 1714 B10R0.4 CCSCCCCOC(=O)C 62a_100000033659_100000210202 [0,0,1,0,0,0|3,0,0]=4 1715 B10R0.4 CCSCCCCOC(=O)C 62a_100000210202_100000033659 [0,0,1,0,0,0|3,0,0]=4 1716 B10R0.4 CCSCCCCSC(=O)C 62a_100000210202_200010402107 [0,0,1,0,0,0|3,0,0]=4 1717 B10R0.4 CCSCCCCSC(=O)C 62a_200010402107_100000210202 [0,0,1,0,0,0|3,0,0]=4 1718 B10R0.4 CCSCCCOCC(=O)N 34a_100011216438_100000187820 [0,0,1,0,0,0|3,0,0]=4 1719 B10R0.4 CCSCCCOCC(=O)N 7a_100011216438_100000187820 [0,0,1,0,0,0|3,0,0]=4 1720 B10R0.4 CCSCCCOCC(=O)[O-] 34a_100011216438_100020667443 [0,0,1,0,0,0|2,0,1]=4 1721 B10R0.4 CCSCCNCCC(=O)N 2230a_100000106463_100000744528 [0,0,1,0,0,0|3,0,0]=4 1722 B10R0.4 CCSCCNOCC(=O)O 269956a_100000106656_100000757381 [0,0,1,0,0,0|3,0,0]=4 1723 B10R0.4 CCSCCOCCC(=O)C 34a_100000759926_100000757381 [0,0,1,0,0,0|3,0,0]=4 1724 B10R0.4 CCSCCOCCC(=O)C 7a_100000212035_100000053229 [0,0,1,0,0,0|3,0,0]=4 1725 B10R0.4 CCSCCOCCC(=O)C 7a_100000759926_100000757381 [0,0,1,0,0,0|3,0,0]=4 1726 B10R0.4 CCSCCOCCC(=O)N 34a_100000212035_100000731001 [0,0,1,0,0,0|3,0,0]=4 1727 B10R0.4 CCSCCOCCC(=O)N 34a_100000757172_100000757381 [0,0,1,0,0,0|3,0,0]=4 1728 B10R0.4 CCSCCOCCC(=O)N 7a_100000212035_100000744528 [0,0,1,0,0,0|3,0,0]=4 1729 B10R0.4 CCSCCOCCC(=O)N 7a_100000757172_100000757381 [0,0,1,0,0,0|3,0,0]=4 1730 B10R0.4 CCSCCSCCC(=O)C 62a_100000053229_100000757381 [0,0,1,0,0,0|3,0,0]=4 1731 B10R0.4 CCSCCSCCC(=O)C 62a_100000757381_100000053229 [0,0,1,0,0,0|3,0,0]=4 1732 B10R0.4 CCSCCSCCC(=O)N 62a_100000744528_100000757381 [0,0,1,0,0,0|3,0,0]=4 1733 B10R0.4 CCSCCSCCC(=O)N 62a_100000757381_100000744528 [0,0,1,0,0,0|3,0,0]=4 1734 B10R0.4 CNCCCCCCB(O)O 2230a_106832991635_100009817187 [0,0,1,0,0,0|2,0,1]=4 1735 B10R0.4 CNCCCCCCB(O)O 34a_100102657272_100009817187 [0,0,1,0,0,0|2,0,1]=4 1736 B10R0.4 CNCCCCCCB(O)O 7a_106832991635_100009817187 [0,0,1,0,0,0|2,0,1]=4 1737 B10R0.4 CNCCCCCNC(=O)C 2230a_200012022750_200000210301 [0,0,1,0,0,0|3,0,0]=4 1738 B10R0.4 CNCCCCCNC(=O)C 34a_200012022750_200000210301 [0,0,1,0,0,0|3,0,0]=4 1739 B10R0.4 CNCCCCCOC(=O)C 2230a_106832991635_100009813381 [0,0,1,0,0,0|3,0,0]=4 1740 B10R0.4 CNCCCCCOC(=O)C 34a_100102657272_100000033007 [0,0,1,0,0,0|3,0,0]=4 1741 B10R0.4 CNCCCCCOC(=O)C 7a_106832991635_100000033007 [0,0,1,0,0,0|3,0,0]=4 1742 B10R0.4 CNCCCOCCC(=O)N 34a_100000213112_100000731001 [0,0,1,0,0,0|3,0,0]=4 1743 B10R0.4 COCCCCCCB(O)O 34a_100138415774_100009817187 [0,0,1,0,0,0|2,0,1]=4 1744 B10R0.4 COCCCCCCC(=O)C 1458a_100000070787_100011998445 [0,0,1,0,0,0|2,0,0]=3 1745 B10R0.4 COCCCCCNC(=O)C 11a_100000747528_100015343762 [0,0,1,0,0,0|3,0,0]=4 1746 B10R0.4 COCCCCCNC(=O)C 1626a_100000747528_100015343762 [0,0,1,0,0,0|3,0,0]=4 1747 B10R0.4 COCCCCCNC(=O)C 240690a_100000747528_100015343762 [0,0,1,0,0,0|3,0,0]=4 1748 B10R0.4 COCCCCCNC(=O)C 527a_100000747528_100103153847 [0,0,1,0,0,0|3,0,0]=4 1749 B10R0.4 COCCCCCOC(=O)C 34a_100138415774_100000033007 [0,0,1,0,0,0|3,0,0]=4 1750 B10R0.4 COCCCCNCC(=O)N 2230a_100000711301_100000730899 [0,0,1,0,0,0|3,0,0]=4 1751 B10R0.4 COCCCCNCC(=O)O 269956a_100016091260_100000730899 [0,0,1,0,0,0|2,0,0]=3 1752 B10R0.4 COCCCCOCC(=O)C 34a_100000211253_100000755781 [0,0,1,0,0,0|3,0,0]=4 1753 B10R0.4 COCCCCOCC(=O)N 34a_100000740925_100000187820 [0,0,1,0,0,0|3,0,0]=4 1754 B10R0.4 COCCCCOCC(=O)[O-] 34a_100000740925_100020667443 [0,0,1,0,0,0|2,0,1]=4 1755 B10R0.4 COCCCCSCC(=O)N 62a_100000730899_100000747473 [0,0,1,0,0,0|3,0,0]=4 1756 B10R0.4 COCCCCSCC(=O)N 62a_100000747473_100000730899 [0,0,1,0,0,0|3,0,0]=4 1757 B10R0.4 COCCCCSCC(=O)[O-] 62a_100000730899_100020667443 [0,0,1,0,0,0|2,0,1]=4 1758 B10R0.4 COCCCCSCC(=O)[O-] 62a_100020667443_100000730899 [0,0,1,0,0,0|2,0,1]=4 1759 B10R0.4 COCCCNCCC(=O)N 34a_100150723488_100000731001 [0,0,1,0,0,0|3,0,0]=4 1760 B10R0.4 COCCCNOCC(=O)O 269956a_100000106656_100000740836 [0,0,1,0,0,0|3,0,0]=4 1761 B10R0.4 COCCCOCCC(=O)C 34a_100000759926_100000740836 [0,0,1,0,0,0|3,0,0]=4 1762 B10R0.4 COCCCOCCC(=O)C 7a_100000759926_100000740836 [0,0,1,0,0,0|3,0,0]=4 1763 B10R0.4 COCCCOCCC(=O)N 34a_100000740835_100000731001 [0,0,1,0,0,0|3,0,0]=4 1764 B10R0.4 COCCCOCCC(=O)N 34a_100000757172_100000740836 [0,0,1,0,0,0|3,0,0]=4 1765 B10R0.4 COCCCOCCC(=O)N 7a_100000757172_100000740836 [0,0,1,0,0,0|3,0,0]=4 1766 B10R0.4 COCCCSCCC(=O)C 62a_100000053229_100000709357 [0,0,1,0,0,0|3,0,0]=4 1767 B10R0.4 COCCCSCCC(=O)C 62a_100000709357_100000053229 [0,0,1,0,0,0|3,0,0]=4 1768 B10R0.4 COCCCSCCC(=O)N 62a_100000709357_100000744528 [0,0,1,0,0,0|3,0,0]=4 1769 B10R0.4 COCCCSCCC(=O)N 62a_100000744528_100000709357 [0,0,1,0,0,0|3,0,0]=4 1770 B10R0.4 COCCNCCCC(=O)N 34a_100000739312_100011201679 [0,0,1,0,0,0|3,0,0]=4 1771 B10R0.4 COCCOCCCC(=O)C 1458a_100000070787_100011216529 [0,0,1,0,0,0|3,0,0]=4 1772 B10R0.4 COCCOCCCC(=O)C 34a_100000210237_100000685027 [0,0,1,0,0,0|3,0,0]=4 1773 B10R0.4 COCCOCCCC(=O)C 34a_100000759063_100011201679 [0,0,1,0,0,0|3,0,0]=4 1774 B10R0.4 COCCOCCCC(=O)C 7a_100000759063_100000233755 [0,0,1,0,0,0|3,0,0]=4 1775 B10R0.4 COCCOCCCC(=O)N 34a_100000210237_100102525003 [0,0,1,0,0,0|3,0,0]=4 1776 B10R0.4 COCCOCNCC(=O)O 269956a_100016091260_100000231047 [0,0,1,0,0,0|3,0,0]=4 1777 B10R0.4 COCCSCCCC(=O)C 62a_100000233755_100011215641 [0,0,1,0,0,0|3,0,0]=4 1778 B10R0.4 COCCSCCCC(=O)C 62a_100011215641_100000233755 [0,0,1,0,0,0|3,0,0]=4 1779 B10R0.4 COCCSCCCC(=O)N 62a_100000233755_100102525003 [0,0,1,0,0,0|3,0,0]=4 1780 B10R0.4 COCCSCCCC(=O)N 62a_100102525003_100000233755 [0,0,1,0,0,0|3,0,0]=4 1781 B10R0.4 COCNCCOCC(=O)O 269956a_100000700818_100000766300 [0,0,1,0,0,0|3,0,0]=4 1782 B10R0.4 COCSCCCCC(=O)C 62a_100000735457_100000766300 [0,0,1,0,0,0|3,0,0]=4 1783 B10R0.4 COCSCCCCC(=O)C 62a_100000766300_100000735457 [0,0,1,0,0,0|3,0,0]=4 1784 B10R0.4 CSCCCCCCB(O)O 62a_100009817187_200000210301 [0,0,1,0,0,0|2,0,1]=4 1785 B10R0.4 CSCCCCCCB(O)O 62a_200000210301_100009817187 [0,0,1,0,0,0|2,0,1]=4 1786 B10R0.4 CSCCCCCOC(=O)C 62a_100000033007_200000210301 [0,0,1,0,0,0|3,0,0]=4 1787 B10R0.4 CSCCCCCOC(=O)C 62a_200000210301_100000033007 [0,0,1,0,0,0|3,0,0]=4 1788 B10R0.4 CSCCCCOCC(=O)N 34a_100011217163_100000187820 [0,0,1,0,0,0|3,0,0]=4 1789 B10R0.4 CSCCCCOCC(=O)N 7a_100011217163_100000187820 [0,0,1,0,0,0|3,0,0]=4 1790 B10R0.4 CSCCCCOCC(=O)[O-] 34a_100011217163_100020667443 [0,0,1,0,0,0|2,0,1]=4 1791 B10R0.4 CSCCCNCCC(=O)N 2230a_100000749238_100000744528 [0,0,1,0,0,0|3,0,0]=4 1792 B10R0.4 CSCCCOCCC(=O)C 7a_100000690336_100000053229 [0,0,1,0,0,0|3,0,0]=4 1793 B10R0.4 CSCCCOCCC(=O)N 34a_100000690336_100000731001 [0,0,1,0,0,0|3,0,0]=4 1794 B10R0.4 CSCCCOCCC(=O)N 7a_100000690336_100000744528 [0,0,1,0,0,0|3,0,0]=4 1795 B10R0.4 CSCCNCCCC(=O)N 34a_100000739312_100000212216 [0,0,1,0,0,0|3,0,0]=4 1796 B10R0.4 CSCCOCCCC(=O)C 34a_100000230434_100000685027 [0,0,1,0,0,0|3,0,0]=4 1797 B10R0.4 CSCCOCCCC(=O)C 34a_100000759063_100000212216 [0,0,1,0,0,0|3,0,0]=4 1798 B10R0.4 CSCCOCCCC(=O)C 7a_100000230434_100011215641 [0,0,1,0,0,0|3,0,0]=4 1799 B10R0.4 CSCCOCCCC(=O)C 7a_100000759063_100000212216 [0,0,1,0,0,0|3,0,0]=4 1800 B10R0.4 CSCCOCCCC(=O)N 34a_100000230434_100102525003 [0,0,1,0,0,0|3,0,0]=4 1801 B10R0.4 CSCCOCCCC(=O)N 7a_100000230434_100102525003 [0,0,1,0,0,0|3,0,0]=4 1802 B10R0.4 CSCCSCCCC(=O)C 62a_100000212216_100011215641 [0,0,1,0,0,0|3,0,0]=4 1803 B10R0.4 CSCCSCCCC(=O)C 62a_100011215641_100000751147 [0,0,1,0,0,0|3,0,0]=4 1804 B10R0.4 CSCCSCCCC(=O)N 62a_100000212216_100102525003 [0,0,1,0,0,0|3,0,0]=4 1805 B10R0.4 CSCCSCCCC(=O)N 62a_100102525003_100000751147 [0,0,1,0,0,0|3,0,0]=4 1806 B10R0.4 CSCNCCCCC(=O)N 34a_100000696515_100011218213 [0,0,1,0,0,0|3,0,0]=4 1807 B10R0.4 CSCNCCOCC(=O)O 269956a_100000700818_100011218213 [0,0,1,0,0,0|3,0,0]=4 1808 B10R0.4 CSCOCCCCC(=O)N 34a_100012022536_100011218213 [0,0,1,0,0,0|3,0,0]=4 1809 B10R0.4 CSCSCCCCC(=O)C 62a_100000735457_100011218213 [0,0,1,0,0,0|3,0,0]=4 1810 B10R0.4 CSCSCCCCC(=O)C 62a_100011218213_100000735457 [0,0,1,0,0,0|3,0,0]=4 1811 B10R0.4 N#CCCCCNCC(=O)O 269956a_100016091260_100011219923 [0,0,1,0,0,0|2,0,1]=4 1812 B10R0.4 NC(=O)CCCCCOCF 34a_100000123541_100015361967 [0,0,1,0,0,0|3,0,0]=4 1813 B10R0.4 NC(=O)CCCCCOCF 7a_100000123541_100015361967 [0,0,1,0,0,0|3,0,0]=4 1814 B10R0.4 NC(=O)CCCCCSCF 62a_100009817443_100015361967 [0,0,1,0,0,0|3,0,0]=4 1815 B10R0.4 NC(=O)CCCCCSCF 62a_100015361967_100009817443 [0,0,1,0,0,0|3,0,0]=4 1816 B10R0.4 NC(=O)CCCCNCCF 34a_100000696515_100011217306 [0,0,1,0,0,0|3,0,0]=4 1817 B10R0.4 NC(=O)CCCCNCCO 34a_100000696515_100000211926 [0,0,1,0,0,0|3,0,0]=4 1818 B10R0.4 NC(=O)CCCCOCCF 34a_100012022536_100011217306 [0,0,1,0,0,0|3,0,0]=4 1819 B10R0.4 NC(=O)CCCCOCCF 7a_100012022536_100011217306 [0,0,1,0,0,0|3,0,0]=4 1820 B10R0.4 NC(=O)CCCCOCCO 34a_100012022536_100000211926 [0,0,1,0,0,0|3,0,0]=4 1821 B10R0.4 NC(=O)CCCCOCCO 7a_100012022536_100000211926 [0,0,1,0,0,0|3,0,0]=4 1822 B10R0.4 NC(=O)CCCNCCCF 34a_100000739312_100011934791 [0,0,1,0,0,0|3,0,0]=4 1823 B10R0.4 NC(=O)CCCNCCCF 34a_100015189416_100102525003 [0,0,1,0,0,0|3,0,0]=4 1824 B10R0.4 NC(=O)CCCNCCCO 34a_100000739312_100000230001 [0,0,1,0,0,0|3,0,0]=4 1825 B10R0.4 NC(=O)CCCOCCCBr 34a_100011217188_100102525003 [0,0,1,0,0,0|3,0,0]=4 1826 B10R0.4 NC(=O)CCCOCCCCl 34a_100000230001_100102525003 [0,0,1,0,0,0|3,0,0]=4 1827 B10R0.4 NC(=O)CCCOCCCF 34a_100000759539_100102525003 [0,0,1,0,0,0|3,0,0]=4 1828 B10R0.4 NC(=O)CCCSCCCF 62a_100011934791_100102525003 [0,0,1,0,0,0|3,0,0]=4 1829 B10R0.4 NC(=O)CCCSCCCF 62a_100102525003_100011934791 [0,0,1,0,0,0|3,0,0]=4 1830 B10R0.4 NC(=O)CCCSCCCO 62a_100011215043_100102525003 [0,0,1,0,0,0|3,0,0]=4 1831 B10R0.4 NC(=O)CCCSCCCO 62a_100102525003_100011215043 [0,0,1,0,0,0|3,0,0]=4 1832 B10R0.4 NC(=O)CCNCCCCO 2230a_100000750430_100000744528 [0,0,1,0,0,0|3,0,0]=4 1833 B10R0.4 NC(=O)CCNCCCCO 34a_100000750430_100000731001 [0,0,1,0,0,0|3,0,0]=4 1834 B10R0.4 NC(=O)CCOCCCCBr 34a_100011216708_100000731001 [0,0,1,0,0,0|3,0,0]=4 1835 B10R0.4 NC(=O)CCOCCCCCl 34a_100000210776_100000731001 [0,0,1,0,0,0|3,0,0]=4 1836 B10R0.4 NC(=O)CCOCCCCCl 7a_100000210776_100000744528 [0,0,1,0,0,0|3,0,0]=4 1837 B10R0.4 NC(=O)CCOCCCCF 34a_100000757172_100000729493 [0,0,1,0,0,0|3,0,0]=4 1838 B10R0.4 NC(=O)CCOCCCCF 34a_100011995726_100000731001 [0,0,1,0,0,0|3,0,0]=4 1839 B10R0.4 NC(=O)CCOCCCCF 7a_100000757172_100000729493 [0,0,1,0,0,0|3,0,0]=4 1840 B10R0.4 NC(=O)CCOCCCCF 7a_100011995726_100000744528 [0,0,1,0,0,0|3,0,0]=4 1841 B10R0.4 NC(=O)CCOCCCCI 34a_200012148704_100000731001 [0,0,1,0,0,0|3,0,0]=4 1842 B10R0.4 NC(=O)CCOCCCCO 34a_100000757172_100011216708 [0,0,1,0,0,0|3,0,0]=4 1843 B10R0.4 NC(=O)CCOCCCCO 7a_100000757172_100000210776 [0,0,1,0,0,0|3,0,0]=4 1844 B10R0.4 NC(=O)CCSCCCCF 62a_100000729493_100000744528 [0,0,1,0,0,0|3,0,0]=4 1845 B10R0.4 NC(=O)CCSCCCCF 62a_100000744528_100000729493 [0,0,1,0,0,0|3,0,0]=4 1846 B10R0.4 NC(=O)CCSCCCCO 62a_100000210776_100000744528 [0,0,1,0,0,0|3,0,0]=4 1847 B10R0.4 NC(=O)CCSCCCCO 62a_100000744528_100000210776 [0,0,1,0,0,0|3,0,0]=4 1848 B10R0.4 NC(=O)CNCCCCCF 2230a_100000711301_100000729378 [0,0,1,0,0,0|3,0,0]=4 1849 B10R0.4 NC(=O)CNCCCCCO 2230a_100000711301_100000746330 [0,0,1,0,0,0|3,0,0]=4 1850 B10R0.4 NC(=O)CNCCCCCO 2230a_100000762737_100000747473 [0,0,1,0,0,0|3,0,0]=4 1851 B10R0.4 NC(=O)CNCCCCCO 34a_100000762737_100000187820 [0,0,1,0,0,0|3,0,0]=4 1852 B10R0.4 NC(=O)COCCCCCBr 34a_100000746331_100000187820 [0,0,1,0,0,0|3,0,0]=4 1853 B10R0.4 NC(=O)COCCCCCBr 7a_100000746331_100000187820 [0,0,1,0,0,0|3,0,0]=4 1854 B10R0.4 NC(=O)COCCCCCCl 34a_100000746330_100000187820 [0,0,1,0,0,0|3,0,0]=4 1855 B10R0.4 NC(=O)COCCCCCCl 7a_100000746330_100000187820 [0,0,1,0,0,0|3,0,0]=4 1856 B10R0.4 NC(=O)COCCCCCI 34a_200012148887_100000187820 [0,0,1,0,0,0|3,0,0]=4 1857 B10R0.4 NC(=O)COCCCCCI 7a_200012148887_100000187820 [0,0,1,0,0,0|3,0,0]=4 1858 B10R0.4 NC(=O)CSCCCCCF 62a_100000729378_100000747473 [0,0,1,0,0,0|3,0,0]=4 1859 B10R0.4 NC(=O)CSCCCCCF 62a_100000747473_100000729378 [0,0,1,0,0,0|3,0,0]=4 1860 B10R0.4 NC(=O)CSCCCCCO 62a_100000746330_100000747473 [0,0,1,0,0,0|3,0,0]=4 1861 B10R0.4 NC(=O)CSCCCCCO 62a_100000747473_100000746330 [0,0,1,0,0,0|3,0,0]=4 1862 B10R0.4 NCCCCCOCC(=O)N 34a_100000762737_100000187820 [0,0,1,0,0,0|3,0,0]=4 1863 B10R0.4 NCCCCCOCC(=O)[O-] 34a_100000762737_100020667443 [0,0,1,0,0,0|2,0,1]=4 1864 B10R0.4 NCCCCOCCC(=O)N 34a_100000750430_100000731001 [0,0,1,0,0,0|3,0,0]=4 1865 B10R0.4 NCCCOCCCC(=O)N 34a_100000182051_100102525003 [0,0,1,0,0,0|3,0,0]=4 1866 B10R0.4 O=C(O)CNCCCCCF 269956a_100016091260_100000729378 [0,0,1,0,0,0|2,0,0]=3 1867 B10R0.4 O=C(O)CNCCCCCO 269956a_100016091260_100000746330 [0,0,1,0,0,0|2,0,0]=3 1868 B10R0.4 O=C(O)CNCCOCCO 269956a_100016091260_100011215305 [0,0,1,0,0,0|3,0,0]=4 1869 B10R0.4 O=C(O)COCCNCCF 269956a_100000700818_100011217306 [0,0,1,0,0,0|3,0,0]=4 1870 B10R0.4 O=C(O)COCCNCCO 269956a_100000700818_100000211926 [0,0,1,0,0,0|3,0,0]=4 1871 B10R0.4 O=C(O)CONCCCCF 269956a_100000106656_100000729493 [0,0,1,0,0,0|3,0,0]=4 1872 B10R0.4 O=C(O)CONCCCCO 269956a_100000106656_100000210776 [0,0,1,0,0,0|3,0,0]=4 1873 B10R0.4 O=C([O-])CCCCCOCF 7a_100102619762_100015361967 [0,0,1,0,0,0|2,0,1]=4 1874 B10R0.4 O=C([O-])CNCCCCCO 34a_100000762737_100020667443 [0,0,1,0,0,0|2,0,1]=4 1875 B10R0.4 O=C([O-])COCCCCCBr 34a_100000746331_100020667443 [0,0,1,0,0,0|2,0,1]=4 1876 B10R0.4 O=C([O-])COCCCCCCl 34a_100000746330_100020667443 [0,0,1,0,0,0|2,0,1]=4 1877 B10R0.4 O=C([O-])COCCCCCI 34a_200012148887_100020667443 [0,0,1,0,0,0|2,0,1]=4 1878 B10R0.4 O=C([O-])CSCCCCCF 62a_100000729378_100020667443 [0,0,1,0,0,0|2,0,1]=4 1879 B10R0.4 O=C([O-])CSCCCCCF 62a_100020667443_100000729378 [0,0,1,0,0,0|2,0,1]=4 1880 B10R0.4 O=C([O-])CSCCCCCO 62a_100000746330_100020667443 [0,0,1,0,0,0|2,0,1]=4 1881 B10R0.4 O=C([O-])CSCCCCCO 62a_100020667443_100000746330 [0,0,1,0,0,0|2,0,1]=4 1882 B10R0.4 O=CCCCCNCC(=O)O 269956a_100016091260_100000139335 [0,0,1,0,0,0|2,0,1]=4 1883 B10R0.4 [13CH3]C(=O)CCCCCCCO 1458a_100011219782_200025704644 [0,0,1,0,0,0|2,0,0]=3 1884 B10R0.4 [13CH3]SCCCCCCB(O)O 62a_100009817187_200025704644 [0,0,1,0,0,0|2,0,1]=4 1885 B10R0.4 [13CH3]SCCCCCCB(O)O 62a_200025704644_100009817187 [0,0,1,0,0,0|2,0,1]=4 1886 B10R0.27 C=C(C)CCN(CC)CCC 2230a_100000226822_100000730704 [0,0,1,0,0,0|3,0,0]=4 1887 B10R0.27 C=C(C)CCN(CC)CCC 269982a_100000226822_100000730704 [0,0,1,0,0,0|3,0,0]=4 1888 B10R0.27 C=C(C)CNC(CC)CCC 2230a_100000747048_100000748629 [0,0,1,0,0,0|3,0,0]=4 1889 B10R0.27 C=C(C)COC(CC)CCC 34a_100000687864_100000748629 [0,0,1,0,0,0|3,0,0]=4 1890 B10R0.27 C=C(C)COC(CC)CCC 7a_100000687864_100000748629 [0,0,1,0,0,0|3,0,0]=4 1891 B10R0.27 C=C(C)CSC(CC)CCC 62a_100000748629_100011219200 [0,0,1,0,0,0|3,0,0]=4 1892 B10R0.27 C=C(C)CSC(CC)CCC 62a_100011219200_100000211660 [0,0,1,0,0,0|3,0,0]=4 1893 B10R0.27 C=C(F)CNC(CC)CCC 2230a_100000747048_100009893438 [0,0,1,0,0,0|3,0,0]=4 1894 B10R0.27 C=C(F)COC(CC)CCC 34a_100000687864_100009893438 [0,0,1,0,0,0|3,0,0]=4 1895 B10R0.27 C=C(F)COC(CC)CCC 7a_100000687864_100000042424 [0,0,1,0,0,0|3,0,0]=4 1896 B10R0.27 C=C(F)CSC(CC)CCC 62a_100000042424_100011219200 [0,0,1,0,0,0|3,0,0]=4 1897 B10R0.27 C=C(F)CSC(CC)CCC 62a_100011219200_100000042424 [0,0,1,0,0,0|3,0,0]=4 1898 B10R0.27 CCC(COC)NCC(=O)N 2230a_100000757820_100000747473 [0,0,1,0,0,0|3,0,0]=4 1899 B10R0.27 CCC(COC)OCC(=O)N 7a_200011214946_100000187820 [0,0,1,0,0,0|3,0,0]=4 1900 B10R0.27 CCCC(CC)NCC(=O)N 2230a_100000747048_100000747473 [0,0,1,0,0,0|2,0,0]=3 1901 B10R0.27 CCCC(CC)NCC(=O)O 269956a_100016091260_100011219200 [0,0,1,0,0,0|1,0,0]=2 1902 B10R0.27 CCCC(CC)NCC(C)O 2230a_100000747048_100011218427 [0,0,1,0,0,0|2,0,1]=4 1903 B10R0.27 CCCC(CC)NCC(C)O 270004a_100000210904_100000687865 [0,0,1,0,0,0|2,0,1]=4 1904 B10R0.27 CCCC(CC)NC[C@@H](C)O 2230a_100000747048_100009817552 [0,0,1,0,0,0|2,0,1]=4 1905 B10R0.27 CCCC(CC)OCC(=O)N 34a_100000687864_100000187820 [0,0,1,0,0,0|2,0,0]=3 1906 B10R0.27 CCCC(CC)OCC(=O)N 7a_100000687864_100000187820 [0,0,1,0,0,0|2,0,0]=3 1907 B10R0.27 CCCC(CC)OCC(=O)[O-] 34a_100000687864_100020667443 [0,0,1,0,0,0|1,0,1]=3 1908 B10R0.27 CCCC(CC)OCC(C)O 34a_100000687864_100011218427 [0,0,1,0,0,0|2,0,1]=4 1909 B10R0.27 CCCC(CC)OCC(C)O 7a_100000687864_100011218427 [0,0,1,0,0,0|2,0,1]=4 1910 B10R0.27 CCCC(CC)OC[C@@H](C)O 34a_100000687864_100009817552 [0,0,1,0,0,0|2,0,1]=4 1911 B10R0.27 CCCC(CC)OC[C@@H](C)O 7a_100000687864_100009817552 [0,0,1,0,0,0|2,0,1]=4 1912 B10R0.27 CCCC(CC)OC[N+](=O)[O-] 34a_100000687864_100000761209 [0,0,1,0,0,0|2,0,1]=4 1913 B10R0.27 CCCC(CC)SCC(=O)N 62a_100000747473_100011219200 [0,0,1,0,0,0|2,0,0]=3 1914 B10R0.27 CCCC(CC)SCC(=O)N 62a_100011219200_100000747473 [0,0,1,0,0,0|2,0,0]=3 1915 B10R0.27 CCCC(CC)SCC(=O)[O-] 62a_100011219200_100020667443 [0,0,1,0,0,0|1,0,1]=3 1916 B10R0.27 CCCC(CC)SCC(=O)[O-] 62a_100020667443_100011219200 [0,0,1,0,0,0|1,0,1]=3 1917 B10R0.27 CCCC(CC)SCC(C)O 62a_100011218427_100011219200 [0,0,1,0,0,0|2,0,1]=4 1918 B10R0.27 CCCC(CC)SCC(C)O 62a_100011219200_100011218427 [0,0,1,0,0,0|2,0,1]=4 1919 B10R0.27 CCCC(CC)SC[C@@H](C)O 62a_100009817552_100011219200 [0,0,1,0,0,0|2,0,1]=4 1920 B10R0.27 CCCC(CC)SC[C@@H](C)O 62a_100011219200_100009817552 [0,0,1,0,0,0|2,0,1]=4 1921 B10R0.27 CCCC(CC)SC[N+](=O)[O-] 62a_100011219200_100000761209 [0,0,1,0,0,0|2,0,1]=4 1922 B10R0.27 CCCN(CC)CCC(=O)C 269982a_100000226822_100000053229 [0,0,1,0,0,0|2,0,0]=3 1923 B10R0.27 CCCN(CC)CCC(=O)N 2230a_100000226822_100000744528 [0,0,1,0,0,0|2,0,0]=3 1924 B10R0.27 CCCN(CC)CCC(=O)N 2230a_100020645749_100000210303 [0,0,1,0,0,0|2,0,0]=3 1925 B10R0.27 CCCN(CC)CCC(=O)N 269982a_100000226822_100000744528 [0,0,1,0,0,0|2,0,0]=3 1926 B10R0.27 CCCN(CC)CCC(C)O 2230a_100000226822_100012276601 [0,0,1,0,0,0|2,0,1]=4 1927 B10R0.27 CCCN(CC)CCC(C)O 269982a_100000226822_100012276601 [0,0,1,0,0,0|2,0,1]=4 1928 B10R0.27 CCCN(CC)COC(=O)C 269982a_100000226822_100000076356 [0,0,1,0,0,0|3,0,0]=4 1929 B10R0.27 CCC[C@@H](CO)NCC(=O)N 2230a_100000732646_100000747473 [0,0,1,0,0,0|3,0,0]=4 1930 B10R0.27 CCC[C@@H](CO)NCC(=O)N 34a_100000732646_100000187820 [0,0,1,0,0,0|3,0,0]=4 1931 B10R0.27 CCC[C@@H](CO)NCC(=O)[O-] 34a_100000732646_100020667443 [0,0,1,0,0,0|2,0,1]=4 1932 B10R0.27 CCN(CCC(=O)N)COC 2230a_100020645749_100000766300 [0,0,1,0,0,0|3,0,0]=4 1933 B10R0.27 CCN(CCC(=O)N)CSC 2230a_100020645749_100011218213 [0,0,1,0,0,0|3,0,0]=4 1934 B10R0.27 CCN(CCF)CCC(=O)N 2230a_100020645749_100011217306 [0,0,1,0,0,0|3,0,0]=4 1935 B10R0.27 CCN(CCO)CCC(=O)C 269982a_100000210973_100000053229 [0,0,1,0,0,0|3,0,0]=4 1936 B10R0.27 CCN(CCO)CCC(=O)N 2230a_100000210973_100000744528 [0,0,1,0,0,0|3,0,0]=4 1937 B10R0.27 CCN(CCO)CCC(=O)N 2230a_100020645749_100000211926 [0,0,1,0,0,0|3,0,0]=4 1938 B10R0.27 CCN(CCO)CCC(=O)N 269982a_100000210973_100000744528 [0,0,1,0,0,0|3,0,0]=4 1939 B10R0.27 CCOC(CC)CNC(=O)C 11a_100015183923_100015343762 [0,0,1,0,0,0|3,0,0]=4 1940 B10R0.27 CCOC(CC)CNC(=O)C 1626a_100015183923_100015343762 [0,0,1,0,0,0|3,0,0]=4 1941 B10R0.27 CCOC(CC)CNC(=O)C 240690a_100015183923_100015343762 [0,0,1,0,0,0|3,0,0]=4 1942 B10R0.27 CCOC(CC)CNC(=O)C 527a_100015183923_100103153847 [0,0,1,0,0,0|3,0,0]=4 1943 B10R0.78 C=C(C)CCC(C)NCCC 270004a_100020643023_100011215600 [0,0,1,0,0,0|3,0,0]=4 1944 B10R0.78 C=C(C)CCN(C)CCCC 2230a_100000207549_100000730704 [0,0,1,0,0,0|3,0,0]=4 1945 B10R0.78 C=C(C)CCN(C)CCCC 269982a_100000207549_100000730704 [0,0,1,0,0,0|3,0,0]=4 1946 B10R0.78 C=C(C)CNC(C)CCCC 2230a_100000126638_100000748629 [0,0,1,0,0,0|3,0,0]=4 1947 B10R0.78 C=C(C)COC(C)CCCC 34a_100000210245_200011215066 [0,0,1,0,0,0|3,0,0]=4 1948 B10R0.78 C=C(C)COC(C)CCCC 34a_100000687866_100000748629 [0,0,1,0,0,0|3,0,0]=4 1949 B10R0.78 C=C(C)COC(C)CCCC 7a_100000687866_100000748629 [0,0,1,0,0,0|3,0,0]=4 1950 B10R0.78 C=C(C)CSC(C)CCCC 62a_100000748629_200011215066 [0,0,1,0,0,0|3,0,0]=4 1951 B10R0.78 C=C(C)CSC(C)CCCC 62a_200011215066_100000211660 [0,0,1,0,0,0|3,0,0]=4 1952 B10R0.78 C=C(F)CNC(C)CCCC 2230a_100000126638_100009893438 [0,0,1,0,0,0|3,0,0]=4 1953 B10R0.78 C=C(F)COC(C)CCCC 34a_100000687866_100009893438 [0,0,1,0,0,0|3,0,0]=4 1954 B10R0.78 C=C(F)COC(C)CCCC 34a_200010262243_200011215066 [0,0,1,0,0,0|3,0,0]=4 1955 B10R0.78 C=C(F)COC(C)CCCC 7a_100000687866_100000042424 [0,0,1,0,0,0|3,0,0]=4 1956 B10R0.78 C=C(F)CSC(C)CCCC 62a_100000042424_200011215066 [0,0,1,0,0,0|3,0,0]=4 1957 B10R0.78 C=C(F)CSC(C)CCCC 62a_200011215066_100000042424 [0,0,1,0,0,0|3,0,0]=4 1958 B10R0.78 CC(=O)CCN(C)CCCO 269982a_100000213112_100000053229 [0,0,1,0,0,0|3,0,0]=4 1959 B10R0.78 CC(=O)NC[C@H](C)CCCO 240690a_100160569302_100015343762 [0,0,1,0,0,0|3,0,0]=4 1960 B10R0.78 CC(=O)NC[C@H](C)CCCO 527a_100160569302_100103153847 [0,0,1,0,0,0|3,0,0]=4 1961 B10R0.78 CC(CCCCl)OCC(=O)N 34a_200000718107_100000187820 [0,0,1,0,0,0|3,0,0]=4 1962 B10R0.78 CC(CCCCl)OCC(=O)N 7a_200000718107_100000187820 [0,0,1,0,0,0|3,0,0]=4 1963 B10R0.78 CC(CCCCl)OCC(=O)[O-] 34a_200000718107_100020667443 [0,0,1,0,0,0|2,0,1]=4 1964 B10R0.78 CCCCC(=O)CCC(=O)N 1458a_100011215257_100000210211 [0,0,1,0,0,0|2,0,1]=4 1965 B10R0.78 CCCCC(C)CCC(=O)C 1458a_100000033779_200000210301 [0,0,1,0,0,0|1,0,0]=2 1966 B10R0.78 CCCCC(C)CCC(=O)[13CH3] 1458a_100000033779_200025704644 [0,0,1,0,0,0|1,0,0]=2 1967 B10R0.78 CCCCC(C)NCC(=O)N 2230a_100000126638_100000747473 [0,0,1,0,0,0|2,0,0]=3 1968 B10R0.78 CCCCC(C)NCC(=O)N 2230a_100000711301_200011215066 [0,0,1,0,0,0|2,0,0]=3 1969 B10R0.78 CCCCC(C)NCC(=O)O 269956a_100016091260_200011215066 [0,0,1,0,0,0|1,0,0]=2 1970 B10R0.78 CCCCC(C)NCC(C)O 2230a_100000126638_100011218427 [0,0,1,0,0,0|2,0,1]=4 1971 B10R0.78 CCCCC(C)NCC(C)O 2230a_100000210904_200011215066 [0,0,1,0,0,0|2,0,1]=4 1972 B10R0.78 CCCCC(C)NCC(C)O 270004a_100000210904_100000210087 [0,0,1,0,0,0|2,0,1]=4 1973 B10R0.78 CCCCC(C)NCC(C)O 34a_100000210904_200011215066 [0,0,1,0,0,0|2,0,1]=4 1974 B10R0.78 CCCCC(C)NC[C@@H](C)O 2230a_100000126638_100009817552 [0,0,1,0,0,0|2,0,1]=4 1975 B10R0.78 CCCCC(C)OCC(=O)C 34a_100000211253_200011215066 [0,0,1,0,0,0|2,0,0]=3 1976 B10R0.78 CCCCC(C)OCC(=O)N 34a_100000687866_100000187820 [0,0,1,0,0,0|2,0,0]=3 1977 B10R0.78 CCCCC(C)OCC(=O)N 7a_100000687866_100000187820 [0,0,1,0,0,0|2,0,0]=3 1978 B10R0.78 CCCCC(C)OCC(=O)[O-] 34a_100000687866_100020667443 [0,0,1,0,0,0|1,0,1]=3 1979 B10R0.78 CCCCC(C)OCC(C)O 34a_100000687866_100011218427 [0,0,1,0,0,0|2,0,1]=4 1980 B10R0.78 CCCCC(C)OCC(C)O 7a_100000687866_100011218427 [0,0,1,0,0,0|2,0,1]=4 1981 B10R0.78 CCCCC(C)OC[C@@H](C)O 34a_100000687866_100009817552 [0,0,1,0,0,0|2,0,1]=4 1982 B10R0.78 CCCCC(C)OC[C@@H](C)O 7a_100000687866_100009817552 [0,0,1,0,0,0|2,0,1]=4 1983 B10R0.78 CCCCC(C)OC[N+](=O)[O-] 34a_100000687866_100000761209 [0,0,1,0,0,0|2,0,1]=4 1984 B10R0.78 CCCCC(C)SCC(=O)N 62a_100000747473_200011215066 [0,0,1,0,0,0|2,0,0]=3 1985 B10R0.78 CCCCC(C)SCC(=O)N 62a_200011215066_100000747473 [0,0,1,0,0,0|2,0,0]=3 1986 B10R0.78 CCCCC(C)SCC(=O)[O-] 62a_100020667443_200011215066 [0,0,1,0,0,0|1,0,1]=3 1987 B10R0.78 CCCCC(C)SCC(=O)[O-] 62a_200011215066_100020667443 [0,0,1,0,0,0|1,0,1]=3 1988 B10R0.78 CCCCC(C)SCC(C)O 62a_100011218427_200011215066 [0,0,1,0,0,0|2,0,1]=4 1989 B10R0.78 CCCCC(C)SCC(C)O 62a_200011215066_100011218427 [0,0,1,0,0,0|2,0,1]=4 1990 B10R0.78 CCCCC(C)SC[C@@H](C)O 62a_100009817552_200011215066 [0,0,1,0,0,0|2,0,1]=4 1991 B10R0.78 CCCCC(C)SC[C@@H](C)O 62a_200011215066_100009817552 [0,0,1,0,0,0|2,0,1]=4 1992 B10R0.78 CCCCC(C)SC[N+](=O)[O-] 62a_200011215066_100000761209 [0,0,1,0,0,0|2,0,1]=4 1993 B10R0.78 CCCCN(C)CCC(=O)C 269982a_100000207549_100000053229 [0,0,1,0,0,0|2,0,0]=3 1994 B10R0.78 CCCCN(C)CCC(=O)N 2230a_100000207549_100000744528 [0,0,1,0,0,0|2,0,0]=3 1995 B10R0.78 CCCCN(C)CCC(=O)N 2230a_100000730477_100000210211 [0,0,1,0,0,0|2,0,0]=3 1996 B10R0.78 CCCCN(C)CCC(=O)N 269982a_100000207549_100000744528 [0,0,1,0,0,0|2,0,0]=3 1997 B10R0.78 CCCCN(C)CCC(C)O 2230a_100000207549_100012276601 [0,0,1,0,0,0|2,0,1]=4 1998 B10R0.78 CCCCN(C)CCC(C)O 269982a_100000207549_100012276601 [0,0,1,0,0,0|2,0,1]=4 1999 B10R0.78 CCCCN(C)COC(=O)C 269982a_100000207549_100000076356 [0,0,1,0,0,0|3,0,0]=4 2000 B10R0.78 CCCNC(C)COC(=O)C 270004a_100020643023_100000000629 [0,0,1,0,0,0|3,0,0]=4 2001 B10R0.78 CCCOC(C)CNC(=O)C 11a_100015185124_100015343762 [0,0,1,0,0,0|3,0,0]=4 2002 B10R0.78 CCCOC(C)CNC(=O)C 1626a_100015185124_100015343762 [0,0,1,0,0,0|3,0,0]=4 2003 B10R0.78 CCCOC(C)CNC(=O)C 240690a_100015185124_100015343762 [0,0,1,0,0,0|3,0,0]=4 2004 B10R0.78 CCCOC(C)CNC(=O)C 527a_100015185124_100103153847 [0,0,1,0,0,0|3,0,0]=4 2005 B10R0.78 CCNCC(C)CSC(=O)C 2230a_100015525214_200000116872 [0,0,1,0,0,0|3,0,0]=4 2006 B10R0.78 CCOCC(C)CSC(=O)C 34a_100121572206_200000116872 [0,0,1,0,0,0|3,0,0]=4 2007 B10R0.78 CCOCC(C)OCC(=O)N 34a_100000718985_100000187820 [0,0,1,0,0,0|3,0,0]=4 2008 B10R0.78 CCOCC(C)OCC(=O)N 7a_100000718985_100000187820 [0,0,1,0,0,0|3,0,0]=4 2009 B10R0.78 CCOCC(C)OCC(=O)[O-] 34a_100000718985_100020667443 [0,0,1,0,0,0|2,0,1]=4 2010 B10R0.78 CCSCC(C)CSC(=O)C 62a_100000210202_200000116872 [0,0,1,0,0,0|3,0,0]=4 2011 B10R0.78 CCSCC(C)CSC(=O)C 62a_200000116872_100000210202 [0,0,1,0,0,0|3,0,0]=4 2012 B10R0.78 CN(CCCF)CCC(=O)N 2230a_100000730477_100011934791 [0,0,1,0,0,0|3,0,0]=4 2013 B10R0.78 CN(CCCO)CCC(=O)N 2230a_100000213112_100000744528 [0,0,1,0,0,0|3,0,0]=4 2014 B10R0.78 CN(CCCO)CCC(=O)N 2230a_100000730477_100000230001 [0,0,1,0,0,0|3,0,0]=4 2015 B10R0.78 CN(CCCO)CCC(=O)N 269982a_100000213112_100000744528 [0,0,1,0,0,0|3,0,0]=4 2016 B10R0.78 COCCN(C)CCC(=O)C 1458a_200103286627_200000210301 [0,0,1,0,0,0|3,0,0]=4 2017 B10R0.78 COCCN(C)CCC(=O)C 269982a_100000743101_100000053229 [0,0,1,0,0,0|3,0,0]=4 2018 B10R0.78 COCCN(C)CCC(=O)N 2230a_100000730477_100011201679 [0,0,1,0,0,0|3,0,0]=4 2019 B10R0.78 COCCN(C)CCC(=O)N 2230a_100000743101_100000744528 [0,0,1,0,0,0|3,0,0]=4 2020 B10R0.78 COCCN(C)CCC(=O)N 269982a_100000743101_100000744528 [0,0,1,0,0,0|3,0,0]=4 2021 B10R0.78 COCCN(C)CCC(=O)[13CH3] 1458a_200103286627_200025704644 [0,0,1,0,0,0|3,0,0]=4 2022 B10R0.78 CSCCN(C)CCC(=O)C 269982a_100000686725_100000053229 [0,0,1,0,0,0|3,0,0]=4 2023 B10R0.78 CSCCN(C)CCC(=O)N 2230a_100000686725_100000744528 [0,0,1,0,0,0|3,0,0]=4 2024 B10R0.78 CSCCN(C)CCC(=O)N 2230a_100000730477_100000751147 [0,0,1,0,0,0|3,0,0]=4 2025 B10R0.78 CSCCN(C)CCC(=O)N 269982a_100000686725_100000744528 [0,0,1,0,0,0|3,0,0]=4 2026 B12R2.22 O=C1CC(C1)N2CCCOC2 269982a_100000131196_100009894365 [0,0,0,1,0,0|3,0,0]=4 2027 B12R2.22 O=C1CC(C1)N2CCOCC2 269982a_100015191051_100009894365 [0,0,0,1,0,0|3,0,0]=4 2028 B12R2.22 O=C1CC(C1)N2CCSCC2 269982a_100000737611_100009894365 [0,0,0,1,0,0|3,0,0]=4 2029 B12R2.22 OC1CN(C1)C2CCCCC2 269982a_100000749847_100000210327 [0,0,0,1,0,0|2,0,1]=4 2030 B12R2.24 CN1CCC2CCCCC2C1 2230a_100000211783_200000210301 [0,0,0,1,0,0|3,0,0]=4 2031 B12R2.24 CN1CCC2CCCCC2C1 269982a_100000211783_200000210301 [0,0,0,1,0,0|3,0,0]=4 2032 B12R2.24 CN1CCC2CCCCC2C1 34a_100000211783_200000210301 [0,0,0,1,0,0|3,0,0]=4 2033 B12R2.24 [13CH3]N1CCC2CCCCC2C1 2230a_100000211783_200025704644 [0,0,0,1,0,0|3,0,0]=4 2034 B12R2.24 [13CH3]N1CCC2CCCCC2C1 269982a_100000211783_200025704644 [0,0,0,1,0,0|3,0,0]=4 2035 B12R2.24 [13CH3]N1CCC2CCCCC2C1 34a_100000211783_200025704644 [0,0,0,1,0,0|3,0,0]=4 2036 B12R2.250 CC(=O)C1CC12CCOCC2 1458a_100000766831_200000210301 [0,0,0,1,0,0|2,0,0]=3 2037 B12R2.250 [13CH3]C(=O)C1CC12CCOCC2 1458a_100000766831_200025704644 [0,0,0,1,0,0|2,0,0]=3 2038 B12R2.1367 C=C(C)CN1C2CCC1CC2 2230a_100000735658_100000748629 [0,0,0,1,0,0|3,0,0]=4 2039 B12R2.1367 C=C(C)CN1C2CCC1CC2 269982a_100000735658_100000748629 [0,0,0,1,0,0|3,0,0]=4 2040 B12R2.1367 C=C(C)CN1C2CCC1CC2 34a_100000735658_100000748629 [0,0,0,1,0,0|3,0,0]=4 2041 B12R2.1367 C=C(F)CN1C2CCC1CC2 2230a_100000735658_100009893438 [0,0,0,1,0,0|3,0,0]=4 2042 B12R2.1367 C=C(F)CN1C2CCC1CC2 269982a_100000735658_100009893438 [0,0,0,1,0,0|3,0,0]=4 2043 B12R2.1367 C=C(F)CN1C2CCC1CC2 34a_100000735658_100009893438 [0,0,0,1,0,0|3,0,0]=4 2044 B12R2.1367 CC(O)CN1C2CCC1CC2 2230a_100000735658_100011218427 [0,0,0,1,0,0|2,0,1]=4 2045 B12R2.1367 CC(O)CN1C2CCC1CC2 269982a_100000735658_100011218427 [0,0,0,1,0,0|2,0,1]=4 2046 B12R2.1367 CC(O)CN1C2CCC1CC2 34a_100000735658_100011218427 [0,0,0,1,0,0|2,0,1]=4 2047 B12R2.1367 C[C@@H](O)CN1C2CCC1CC2 2230a_100000735658_100009817552 [0,0,0,1,0,0|2,0,1]=4 2048 B12R2.1367 C[C@@H](O)CN1C2CCC1CC2 269982a_100000735658_100009817552 [0,0,0,1,0,0|2,0,1]=4 2049 B12R2.1367 C[C@@H](O)CN1C2CCC1CC2 34a_100000735658_100009817552 [0,0,0,1,0,0|2,0,1]=4 2050 B12R2.1367 NC(=O)CN1C2CCC1CC2 2230a_100000735658_100000747473 [0,0,0,1,0,0|2,0,0]=3 2051 B12R2.1367 NC(=O)CN1C2CCC1CC2 269982a_100000735658_100000187820 [0,0,0,1,0,0|2,0,0]=3 2052 B12R2.1367 NC(=O)CN1C2CCC1CC2 34a_100000735658_100000187820 [0,0,0,1,0,0|2,0,0]=3 2053 B12R2.1367 O=C([O-])CN1C2CCC1CC2 269982a_100000735658_100020667443 [0,0,0,1,0,0|1,0,1]=3 2054 B12R2.1367 O=C([O-])CN1C2CCC1CC2 34a_100000735658_100020667443 [0,0,0,1,0,0|1,0,1]=3 2055 B12R2.1367 O=[N+]([O-])CN1C2CCC1CC2 269982a_100000735658_100000761209 [0,0,0,1,0,0|2,0,1]=4 2056 B12R2.1367 O=[N+]([O-])CN1C2CCC1CC2 34a_100000735658_100000761209 [0,0,0,1,0,0|2,0,1]=4 2057 B12R2.1377 NC(=O)CNC1C2C1COC2 2230a_100000702821_100000747473 [0,0,0,1,0,0|3,0,0]=4 2058 B12R2.1377 NC(=O)CNC1C2C1COC2 34a_100000702821_100000187820 [0,0,0,1,0,0|3,0,0]=4 2059 B12R2.1377 O=C([O-])CNC1C2C1COC2 34a_100000702821_100020667443 [0,0,0,1,0,0|2,0,1]=4 2060 B12R2.1381 C=C(C)CCN1CC2CC2C1 2230a_100000741873_100000730704 [0,0,0,1,0,0|3,0,0]=4 2061 B12R2.1381 C=C(C)CCN1CC2CC2C1 269982a_100000741873_100000730704 [0,0,0,1,0,0|3,0,0]=4 2062 B12R2.1381 C=C(C)CCN1CC2CC2C1 34a_100000741873_100000730704 [0,0,0,1,0,0|3,0,0]=4 2063 B12R2.1381 CC(=O)CCN1CC2CC2C1 269982a_100000741873_100000053229 [0,0,0,1,0,0|2,0,0]=3 2064 B12R2.1381 CC(=O)OCN1CC2CC2C1 269982a_100000741873_100000076356 [0,0,0,1,0,0|3,0,0]=4 2065 B12R2.1381 CC(=O)OCN1CC2CC2C1 34a_100000741873_100009813279 [0,0,0,1,0,0|3,0,0]=4 2066 B12R2.1381 CC(O)CCN1CC2CC2C1 2230a_100000741873_100012276601 [0,0,0,1,0,0|2,0,1]=4 2067 B12R2.1381 CC(O)CCN1CC2CC2C1 269982a_100000741873_100012276601 [0,0,0,1,0,0|2,0,1]=4 2068 B12R2.1381 CC(O)CCN1CC2CC2C1 34a_100000741873_100012276601 [0,0,0,1,0,0|2,0,1]=4 2069 B12R2.1381 CC(O)CNC1CC2CC2C1 270004a_100000210904_100010340937 [0,0,0,1,0,0|2,0,1]=4 2070 B12R2.1381 NC(=O)CCN1CC2CC2C1 2230a_100000741873_100000744528 [0,0,0,1,0,0|2,0,0]=3 2071 B12R2.1381 NC(=O)CCN1CC2CC2C1 269982a_100000741873_100000744528 [0,0,0,1,0,0|2,0,0]=3 2072 B12R2.1381 NC(=O)CCN1CC2CC2C1 34a_100000741873_100000731001 [0,0,0,1,0,0|2,0,0]=3 2073 B12R2.1392 CC(=O)C1CC2CCN1CC2 1458a_100102578056_200000210301 [0,0,0,1,0,0|2,0,0]=3 2074 B12R2.1392 CC(=O)N1CC2CCC1CC2 11a_100000750499_100015343762 [0,0,0,1,0,0|2,0,0]=3 2075 B12R2.1392 CC(=O)N1CC2CCC1CC2 1626a_100000750499_100015343762 [0,0,0,1,0,0|2,0,0]=3 2076 B12R2.1392 CC(=O)N1CC2CCC1CC2 240690a_100000750499_100015343762 [0,0,0,1,0,0|2,0,0]=3 2077 B12R2.1392 CC(=O)N1CC2CCC1CC2 527a_100000750499_100103153847 [0,0,0,1,0,0|2,0,0]=3 2078 B12R2.1392 [13CH3]C(=O)C1CC2CCN1CC2 1458a_100102578056_200025704644 [0,0,0,1,0,0|2,0,0]=3 2079 B12R2.2057 C1CCC(CC1)NCC2CO2 2230a_100000182618_100011216344 [0,0,0,1,0,0|2,0,1]=4 2080 B12R2.2057 C1CCC(CC1)NCC2CO2 34a_100000182618_102125554688 [0,0,0,1,0,0|2,0,1]=4 2081 B12R2.2057 C1CCC(CC1)OCC2CO2 34a_100000210231_102125554688 [0,0,0,1,0,0|2,0,1]=4 2082 B12R2.2057 C1CCC(CC1)OCC2CO2 7a_100000210231_102125554688 [0,0,0,1,0,0|2,0,1]=4 2083 B12R2.2057 C1CCC(CC1)OC[C@@H]2CO2 34a_100000757423_100000210327 [0,0,0,1,0,0|2,0,1]=4 2084 B12R2.2057 C1CCC(CC1)OC[C@@H]2CO2 7a_100000210231_100000745022 [0,0,0,1,0,0|2,0,1]=4 2085 B12R2.2057 C1CCC(CC1)SCC2CO2 62a_100000210327_102125554688 [0,0,0,1,0,0|2,0,1]=4 2086 B12R2.2057 C1CCC(CC1)SCC2CO2 62a_102125554688_100000210327 [0,0,0,1,0,0|2,0,1]=4 2087 B12R2.2057 C1CCC(CC1)SC[C@@H]2CO2 62a_100000210327_100000745022 [0,0,0,1,0,0|2,0,1]=4 2088 B12R2.2057 C1CCC(CC1)SC[C@@H]2CO2 62a_100000745022_100000210327 [0,0,0,1,0,0|2,0,1]=4 2089 B12R2.5266 C=C(C)COC1CCC2C1C2 34a_200012295571_100000748629 [0,0,0,1,0,0|3,0,0]=4 2090 B12R2.5266 C=C(F)COC1CCC2C1C2 34a_200012295571_100009893438 [0,0,0,1,0,0|3,0,0]=4 2091 B12R2.5266 CC(O)CNC1CCC2C1C2 269862a_100000210904_100000692480 [0,0,0,1,0,0|2,0,1]=4 2092 B12R2.5266 CC(O)CNC1CCC2C1C2 270004a_100000210904_100000692480 [0,0,0,1,0,0|2,0,1]=4 2093 B12R2.5266 CC(O)COC1CCC2C1C2 34a_200012295571_100011218427 [0,0,0,1,0,0|2,0,1]=4 2094 B12R2.5266 C[C@@H](O)COC1CCC2C1C2 34a_200012295571_100009817552 [0,0,0,1,0,0|2,0,1]=4 2095 B12R2.5266 NC(=O)COC1CCC2C1C2 34a_200012295571_100000187820 [0,0,0,1,0,0|2,0,0]=3 2096 B12R2.5266 O=C([O-])COC1CCC2C1C2 34a_200012295571_100020667443 [0,0,0,1,0,0|1,0,1]=3 2097 B12R2.5266 O=[N+]([O-])COC1CCC2C1C2 34a_200012295571_100000761209 [0,0,0,1,0,0|2,0,1]=4 2098 B10R1.18 CC(=O)C=C1CCCCC1 1458a_100000743792_200000210301 [0,0,0,0,1,0|1,0,2]=4 2099 B10R1.18 CC(=O)CC1=CCCCC1 1458a_100000039269_200000210301 [0,0,0,0,1,0|1,0,2]=4 2100 B10R1.18 CC(=O)CC1CCCCC1 1458a_100000070787_100000211423 [0,0,0,0,1,0|1,0,0]=2 2101 B10R1.18 CC(=O)CC1CCCCC1 1458a_100000211666_200000210301 [0,0,0,0,1,0|1,0,0]=2 2102 B10R1.18 CC(=O)CC1CCCCO1 1458a_100000070787_100000211543 [0,0,0,0,1,0|2,0,0]=3 2103 B10R1.18 CC(=O)CC1CCCCO1 1458a_100000238585_200000210301 [0,0,0,0,1,0|2,0,0]=3 2104 B10R1.18 CC(=O)CC1CCCOC1 1458a_100000070787_100000741521 [0,0,0,0,1,0|2,0,0]=3 2105 B10R1.18 CC(=O)CC1CCCOC1 1458a_100000741523_200000210301 [0,0,0,0,1,0|2,0,0]=3 2106 B10R1.18 CC(=O)CC1CCOCC1 1458a_100000070787_100000754603 [0,0,0,0,1,0|2,0,0]=3 2107 B10R1.18 CC(=O)CC1CCOCC1 1458a_100000757261_200000210301 [0,0,0,0,1,0|2,0,0]=3 2108 B10R1.18 CC(=O)CN1CCCCC1 1458a_100000740322_200000210301 [0,0,0,0,1,0|2,0,0]=3 2109 B10R1.18 CC(=O)CN1CCOCC1 1458a_100000740321_200000210301 [0,0,0,0,1,0|3,0,0]=4 2110 B10R1.18 CC(=O)NC1CCCCC1 11a_100000182618_100015343762 [0,0,0,0,1,0|2,0,0]=3 2111 B10R1.18 CC(=O)NC1CCCCC1 1626a_100000182618_100015343762 [0,0,0,0,1,0|2,0,0]=3 2112 B10R1.18 CC(=O)NC1CCCCC1 240690a_100000182618_100015343762 [0,0,0,0,1,0|2,0,0]=3 2113 B10R1.18 CC(=O)NC1CCCCC1 527a_100000182618_100103153847 [0,0,0,0,1,0|2,0,0]=3 2114 B10R1.18 CC(=O)NC1CCCOC1 11a_100000719290_100015343762 [0,0,0,0,1,0|3,0,0]=4 2115 B10R1.18 CC(=O)NC1CCCOC1 1626a_100000719290_100015343762 [0,0,0,0,1,0|3,0,0]=4 2116 B10R1.18 CC(=O)NC1CCCOC1 240690a_100000719290_100015343762 [0,0,0,0,1,0|3,0,0]=4 2117 B10R1.18 CC(=O)NC1CCCOC1 527a_100000719290_100103153847 [0,0,0,0,1,0|3,0,0]=4 2118 B10R1.18 CC(=O)NC1CCOCC1 11a_100000741149_100015343762 [0,0,0,0,1,0|3,0,0]=4 2119 B10R1.18 CC(=O)NC1CCOCC1 1626a_100000741149_100015343762 [0,0,0,0,1,0|3,0,0]=4 2120 B10R1.18 CC(=O)NC1CCOCC1 240690a_100000741149_100015343762 [0,0,0,0,1,0|3,0,0]=4 2121 B10R1.18 CC(=O)NC1CCOCC1 527a_100000741149_100103153847 [0,0,0,0,1,0|3,0,0]=4 2122 B10R1.18 CC(=O)NC1CCSCC1 11a_100000748639_100015343762 [0,0,0,0,1,0|3,0,0]=4 2123 B10R1.18 CC(=O)NC1CCSCC1 1626a_100000748639_100015343762 [0,0,0,0,1,0|3,0,0]=4 2124 B10R1.18 CC(=O)NC1CCSCC1 240690a_100000748639_100015343762 [0,0,0,0,1,0|3,0,0]=4 2125 B10R1.18 CC(=O)NC1CCSCC1 527a_100000748639_100103153847 [0,0,0,0,1,0|3,0,0]=4 2126 B10R1.18 CN(C)CC1CCCCC1 2230a_100000736448_200000210301 [0,0,0,0,1,0|3,0,0]=4 2127 B10R1.18 CN(C)CC1CCCCC1 2230a_100102631434_100000211423 [0,0,0,0,1,0|3,0,0]=4 2128 B10R1.18 CN(C)CC1CCCCC1 269982a_100000736448_200000210301 [0,0,0,0,1,0|3,0,0]=4 2129 B10R1.18 CN(C)CC1CCCCC1 269982a_100102631434_100000211423 [0,0,0,0,1,0|3,0,0]=4 2130 B10R1.18 CN(C)CC1CCCCC1 34a_100000736448_200000210301 [0,0,0,0,1,0|3,0,0]=4 2131 B10R1.18 CN([13CH3])CC1CCCCC1 2230a_100000736448_200025704644 [0,0,0,0,1,0|3,0,0]=4 2132 B10R1.18 CN([13CH3])CC1CCCCC1 269982a_100000736448_200025704644 [0,0,0,0,1,0|3,0,0]=4 2133 B10R1.18 CN([13CH3])CC1CCCCC1 34a_100000736448_200025704644 [0,0,0,0,1,0|3,0,0]=4 2134 B10R1.18 NC(=O)CN1CCCOC1 2230a_100000131196_100000747473 [0,0,0,0,1,0|3,0,0]=4 2135 B10R1.18 NC(=O)CN1CCCOC1 269982a_100000131196_100000187820 [0,0,0,0,1,0|3,0,0]=4 2136 B10R1.18 NC(=O)CN1CCCOC1 34a_100000131196_100000187820 [0,0,0,0,1,0|3,0,0]=4 2137 B10R1.18 NC(=O)CN1CCOCC1 2230a_100015191051_100000747473 [0,0,0,0,1,0|3,0,0]=4 2138 B10R1.18 NC(=O)CN1CCOCC1 269982a_100015191051_100000187820 [0,0,0,0,1,0|3,0,0]=4 2139 B10R1.18 NC(=O)CN1CCOCC1 34a_100015191051_100000187820 [0,0,0,0,1,0|3,0,0]=4 2140 B10R1.18 NC(=O)CN1CCSCC1 2230a_100000737611_100000747473 [0,0,0,0,1,0|3,0,0]=4 2141 B10R1.18 NC(=O)CN1CCSCC1 269982a_100000737611_100000187820 [0,0,0,0,1,0|3,0,0]=4 2142 B10R1.18 O=C([O-])CN1CCCOC1 269982a_100000131196_100020667443 [0,0,0,0,1,0|2,0,1]=4 2143 B10R1.18 O=C([O-])CN1CCCOC1 34a_100000131196_100020667443 [0,0,0,0,1,0|2,0,1]=4 2144 B10R1.18 O=C([O-])CN1CCOCC1 269982a_100015191051_100020667443 [0,0,0,0,1,0|2,0,1]=4 2145 B10R1.18 O=C([O-])CN1CCOCC1 34a_100015191051_100020667443 [0,0,0,0,1,0|2,0,1]=4 2146 B10R1.18 O=C([O-])CN1CCSCC1 269982a_100000737611_100020667443 [0,0,0,0,1,0|2,0,1]=4 2147 B10R1.18 [13CH3]C(=O)C=C1CCCCC1 1458a_100000743792_200025704644 [0,0,0,0,1,0|1,0,2]=4 2148 B10R1.18 [13CH3]C(=O)CC1=CCCCC1 1458a_100000039269_200025704644 [0,0,0,0,1,0|1,0,2]=4 2149 B10R1.18 [13CH3]C(=O)CC1CCCCC1 1458a_100000211666_200025704644 [0,0,0,0,1,0|1,0,0]=2 2150 B10R1.18 [13CH3]C(=O)CC1CCCCO1 1458a_100000238585_200025704644 [0,0,0,0,1,0|2,0,0]=3 2151 B10R1.18 [13CH3]C(=O)CC1CCCOC1 1458a_100000741523_200025704644 [0,0,0,0,1,0|2,0,0]=3 2152 B10R1.18 [13CH3]C(=O)CC1CCOCC1 1458a_100000757261_200025704644 [0,0,0,0,1,0|2,0,0]=3 2153 B10R1.18 [13CH3]C(=O)CN1CCCCC1 1458a_100000740322_200025704644 [0,0,0,0,1,0|2,0,0]=3 2154 B10R1.18 [13CH3]C(=O)CN1CCOCC1 1458a_100000740321_200025704644 [0,0,0,0,1,0|3,0,0]=4 2155 B10R1.66 C=C(C)CCN1CCCC1 2230a_100000188435_100000730704 [0,0,0,0,1,0|3,0,0]=4 2156 B10R1.66 C=C(C)CCN1CCCC1 269982a_100000188435_100000730704 [0,0,0,0,1,0|3,0,0]=4 2157 B10R1.66 C=C(C)CNC1CCCC1 2230a_100000211070_100000748629 [0,0,0,0,1,0|3,0,0]=4 2158 B10R1.66 C=C(C)CNC1CCCC1 34a_100000211070_100000748629 [0,0,0,0,1,0|3,0,0]=4 2159 B10R1.66 C=C(C)COC1CCCC1 34a_100000210245_100000179811 [0,0,0,0,1,0|3,0,0]=4 2160 B10R1.66 C=C(C)COC1CCCC1 34a_100000210269_100000748629 [0,0,0,0,1,0|3,0,0]=4 2161 B10R1.66 C=C(C)COC1CCCC1 7a_100000210269_100000748629 [0,0,0,0,1,0|3,0,0]=4 2162 B10R1.66 C=C(C)CSC1CCCC1 62a_100000748629_100000179811 [0,0,0,0,1,0|3,0,0]=4 2163 B10R1.66 C=C(C)CSC1CCCC1 62a_100011217020_100000211660 [0,0,0,0,1,0|3,0,0]=4 2164 B10R1.66 C=C(F)CNC1CCCC1 2230a_100000211070_100009893438 [0,0,0,0,1,0|3,0,0]=4 2165 B10R1.66 C=C(F)CNC1CCCC1 34a_100000211070_100009893438 [0,0,0,0,1,0|3,0,0]=4 2166 B10R1.66 C=C(F)COC1CCCC1 34a_100000210269_100009893438 [0,0,0,0,1,0|3,0,0]=4 2167 B10R1.66 C=C(F)COC1CCCC1 34a_200010262243_100000179811 [0,0,0,0,1,0|3,0,0]=4 2168 B10R1.66 C=C(F)COC1CCCC1 7a_100000210269_100000042424 [0,0,0,0,1,0|3,0,0]=4 2169 B10R1.66 C=C(F)CSC1CCCC1 62a_100000042424_100000179811 [0,0,0,0,1,0|3,0,0]=4 2170 B10R1.66 C=C(F)CSC1CCCC1 62a_100011217020_100000042424 [0,0,0,0,1,0|3,0,0]=4 2171 B10R1.66 CC(=O)CCC1CCCC1 1458a_100000070787_100000760354 [0,0,0,0,1,0|1,0,0]=2 2172 B10R1.66 CC(=O)CCC1CCCC1 1458a_100000211120_200000210301 [0,0,0,0,1,0|1,0,0]=2 2173 B10R1.66 CC(=O)CCC1CCCO1 1458a_100011247709_200000210301 [0,0,0,0,1,0|2,0,0]=3 2174 B10R1.66 CC(=O)CCC1OCCO1 1458a_100000070787_100000740749 [0,0,0,0,1,0|3,0,0]=4 2175 B10R1.66 CC(=O)CCC1OCCO1 1458a_100000082924_200000210301 [0,0,0,0,1,0|3,0,0]=4 2176 B10R1.66 CC(=O)CCN1CCCC1 1458a_100000070787_100000004467 [0,0,0,0,1,0|2,0,0]=3 2177 B10R1.66 CC(=O)CCN1CCCC1 1458a_100000738983_200000210301 [0,0,0,0,1,0|2,0,0]=3 2178 B10R1.66 CC(=O)CCN1CCCC1 269982a_100000188435_100000053229 [0,0,0,0,1,0|2,0,0]=3 2179 B10R1.66 CC(=O)CCN1CCCO1 1458a_200015187630_200000210301 [0,0,0,0,1,0|3,0,0]=4 2180 B10R1.66 CC(=O)CCN1CCSC1 269982a_100011215254_100000053229 [0,0,0,0,1,0|3,0,0]=4 2181 B10R1.66 CC(=O)COC1CCCC1 1458a_100000741352_200000210301 [0,0,0,0,1,0|2,0,0]=3 2182 B10R1.66 CC(=O)COC1CCCC1 34a_100000211253_100000179811 [0,0,0,0,1,0|2,0,0]=3 2183 B10R1.66 CC(=O)COC1CCOC1 34a_100000211253_100000690089 [0,0,0,0,1,0|3,0,0]=4 2184 B10R1.66 CC(=O)NCC1CCCC1 11a_100000737975_100015343762 [0,0,0,0,1,0|2,0,0]=3 2185 B10R1.66 CC(=O)NCC1CCCC1 1626a_100000737975_100015343762 [0,0,0,0,1,0|2,0,0]=3 2186 B10R1.66 CC(=O)NCC1CCCC1 240690a_100000737975_100015343762 [0,0,0,0,1,0|2,0,0]=3 2187 B10R1.66 CC(=O)NCC1CCCC1 527a_100000737975_100103153847 [0,0,0,0,1,0|2,0,0]=3 2188 B10R1.66 CC(=O)NCC1CCOC1 11a_100000737293_100015343762 [0,0,0,0,1,0|3,0,0]=4 2189 B10R1.66 CC(=O)NCC1CCOC1 1626a_100000737293_100015343762 [0,0,0,0,1,0|3,0,0]=4 2190 B10R1.66 CC(=O)NCC1CCOC1 240690a_100000737293_100015343762 [0,0,0,0,1,0|3,0,0]=4 2191 B10R1.66 CC(=O)NCC1CCOC1 527a_100000737293_100103153847 [0,0,0,0,1,0|3,0,0]=4 2192 B10R1.66 CC(=O)NC[C@@H]1CCCO1 11a_100020590478_100015343762 [0,0,0,0,1,0|3,0,0]=4 2193 B10R1.66 CC(=O)NC[C@@H]1CCCO1 1626a_100020590478_100015343762 [0,0,0,0,1,0|3,0,0]=4 2194 B10R1.66 CC(=O)NC[C@@H]1CCCO1 240690a_100020590478_100015343762 [0,0,0,0,1,0|3,0,0]=4 2195 B10R1.66 CC(=O)NC[C@@H]1CCCO1 527a_100020590478_100103153847 [0,0,0,0,1,0|3,0,0]=4 2196 B10R1.66 CC(=O)NNC1CCCC1 22a_100000737850_100000070787 [0,0,0,0,1,0|3,0,0]=4 2197 B10R1.66 CC(=O)OCN1CCCC1 269982a_100000188435_100000076356 [0,0,0,0,1,0|3,0,0]=4 2198 B10R1.66 CC(O)CCN1CCCC1 2230a_100000188435_100012276601 [0,0,0,0,1,0|2,0,1]=4 2199 B10R1.66 CC(O)CCN1CCCC1 269982a_100000188435_100012276601 [0,0,0,0,1,0|2,0,1]=4 2200 B10R1.66 CC(O)CNC1CCCC1 2230a_100000210904_100000179811 [0,0,0,0,1,0|2,0,1]=4 2201 B10R1.66 CC(O)CNC1CCCC1 2230a_100000211070_100011218427 [0,0,0,0,1,0|2,0,1]=4 2202 B10R1.66 CC(O)CNC1CCCC1 270004a_100000210904_100000210133 [0,0,0,0,1,0|2,0,1]=4 2203 B10R1.66 CC(O)CNC1CCCC1 34a_100000210904_100000179811 [0,0,0,0,1,0|2,0,1]=4 2204 B10R1.66 CC(O)CNC1CCCC1 34a_100000211070_100011218427 [0,0,0,0,1,0|2,0,1]=4 2205 B10R1.66 CC(O)COC1CCCC1 34a_100000210269_100011218427 [0,0,0,0,1,0|2,0,1]=4 2206 B10R1.66 CC(O)COC1CCCC1 7a_100000210269_100011218427 [0,0,0,0,1,0|2,0,1]=4 2207 B10R1.66 CC(O)CSC1CCCC1 62a_100011217020_100011218427 [0,0,0,0,1,0|2,0,1]=4 2208 B10R1.66 CC(O)CSC1CCCC1 62a_100011218427_100000179811 [0,0,0,0,1,0|2,0,1]=4 2209 B10R1.66 CN(C)CCC1CCCC1 2230a_100102631434_100000760354 [0,0,0,0,1,0|3,0,0]=4 2210 B10R1.66 CN(C)CCC1CCCC1 269982a_100102631434_100000760354 [0,0,0,0,1,0|3,0,0]=4 2211 B10R1.66 C[C@@H](O)CNC1CCCC1 2230a_100000211070_100009817552 [0,0,0,0,1,0|2,0,1]=4 2212 B10R1.66 C[C@@H](O)CNC1CCCC1 34a_100000211070_100009817552 [0,0,0,0,1,0|2,0,1]=4 2213 B10R1.66 C[C@@H](O)COC1CCCC1 34a_100000210269_100009817552 [0,0,0,0,1,0|2,0,1]=4 2214 B10R1.66 C[C@@H](O)COC1CCCC1 7a_100000210269_100009817552 [0,0,0,0,1,0|2,0,1]=4 2215 B10R1.66 C[C@@H](O)CSC1CCCC1 62a_100009817552_100000179811 [0,0,0,0,1,0|2,0,1]=4 2216 B10R1.66 C[C@@H](O)CSC1CCCC1 62a_100011217020_100009817552 [0,0,0,0,1,0|2,0,1]=4 2217 B10R1.66 NC(=O)CCN1CCCC1 2230a_100000188435_100000744528 [0,0,0,0,1,0|2,0,0]=3 2218 B10R1.66 NC(=O)CCN1CCCC1 269982a_100000188435_100000744528 [0,0,0,0,1,0|2,0,0]=3 2219 B10R1.66 NC(=O)CCN1CCSC1 2230a_100011215254_100000744528 [0,0,0,0,1,0|3,0,0]=4 2220 B10R1.66 NC(=O)CCN1CCSC1 269982a_100011215254_100000744528 [0,0,0,0,1,0|3,0,0]=4 2221 B10R1.66 NC(=O)CNC1CCCC1 2230a_100000211070_100000747473 [0,0,0,0,1,0|2,0,0]=3 2222 B10R1.66 NC(=O)CNC1CCCC1 2230a_100000711301_100000179811 [0,0,0,0,1,0|2,0,0]=3 2223 B10R1.66 NC(=O)CNC1CCCC1 34a_100000211070_100000187820 [0,0,0,0,1,0|2,0,0]=3 2224 B10R1.66 NC(=O)CNC1CCOC1 2230a_100000711301_100000731011 [0,0,0,0,1,0|3,0,0]=4 2225 B10R1.66 NC(=O)CN[C@@H]1CCOC1 2230a_200015188469_100000747473 [0,0,0,0,1,0|3,0,0]=4 2226 B10R1.66 NC(=O)CN[C@H]1CCOC1 2230a_100015188467_100000747473 [0,0,0,0,1,0|3,0,0]=4 2227 B10R1.66 NC(=O)CN[C@H]1CCOC1 34a_100015188467_100000187820 [0,0,0,0,1,0|3,0,0]=4 2228 B10R1.66 NC(=O)COC1CCCC1 34a_100000210269_100000187820 [0,0,0,0,1,0|2,0,0]=3 2229 B10R1.66 NC(=O)COC1CCCC1 7a_100000210269_100000187820 [0,0,0,0,1,0|2,0,0]=3 2230 B10R1.66 NC(=O)COC1CCCO1 34a_100000085407_100000187820 [0,0,0,0,1,0|3,0,0]=4 2231 B10R1.66 NC(=O)COC1CCSC1 7a_100011232664_100000187820 [0,0,0,0,1,0|3,0,0]=4 2232 B10R1.66 NC(=O)CO[C@H]1CCOC1 34a_100000717292_100000187820 [0,0,0,0,1,0|3,0,0]=4 2233 B10R1.66 NC(=O)CSC1CCCC1 62a_100000747473_100000179811 [0,0,0,0,1,0|2,0,0]=3 2234 B10R1.66 NC(=O)CSC1CCCC1 62a_100011217020_100000747473 [0,0,0,0,1,0|2,0,0]=3 2235 B10R1.66 NC(=O)CSC1CCOC1 62a_100000747473_100000690089 [0,0,0,0,1,0|3,0,0]=4 2236 B10R1.66 O=C(O)CNC1CCCC1 269956a_100016091260_100000179811 [0,0,0,0,1,0|1,0,0]=2 2237 B10R1.66 O=C(O)CNC1CCOC1 269956a_100016091260_100000731011 [0,0,0,0,1,0|2,0,0]=3 2238 B10R1.66 O=C([O-])CNC1CCCC1 34a_100000211070_100020667443 [0,0,0,0,1,0|1,0,1]=3 2239 B10R1.66 O=C([O-])CN[C@H]1CCOC1 34a_100015188467_100020667443 [0,0,0,0,1,0|2,0,1]=4 2240 B10R1.66 O=C([O-])COC1CCCC1 34a_100000210269_100020667443 [0,0,0,0,1,0|1,0,1]=3 2241 B10R1.66 O=C([O-])COC1CCCO1 34a_100000085407_100020667443 [0,0,0,0,1,0|2,0,1]=4 2242 B10R1.66 O=C([O-])CO[C@H]1CCOC1 34a_100000717292_100020667443 [0,0,0,0,1,0|2,0,1]=4 2243 B10R1.66 O=C([O-])CSC1CCCC1 62a_100011217020_100020667443 [0,0,0,0,1,0|1,0,1]=3 2244 B10R1.66 O=C([O-])CSC1CCCC1 62a_100020667443_100000179811 [0,0,0,0,1,0|1,0,1]=3 2245 B10R1.66 O=C([O-])CSC1CCOC1 62a_100020667443_100000690089 [0,0,0,0,1,0|2,0,1]=4 2246 B10R1.66 O=[N+]([O-])CNC1CCCC1 34a_100000211070_100000761209 [0,0,0,0,1,0|2,0,1]=4 2247 B10R1.66 O=[N+]([O-])COC1CCCC1 34a_100000210269_100000761209 [0,0,0,0,1,0|2,0,1]=4 2248 B10R1.66 O=[N+]([O-])CSC1CCCC1 62a_100011217020_100000761209 [0,0,0,0,1,0|2,0,1]=4 2249 B10R1.66 [13CH3]C(=O)CCC1CCCC1 1458a_100000211120_200025704644 [0,0,0,0,1,0|1,0,0]=2 2250 B10R1.66 [13CH3]C(=O)CCC1CCCO1 1458a_100011247709_200025704644 [0,0,0,0,1,0|2,0,0]=3 2251 B10R1.66 [13CH3]C(=O)CCC1OCCO1 1458a_100000082924_200025704644 [0,0,0,0,1,0|3,0,0]=4 2252 B10R1.66 [13CH3]C(=O)CCN1CCCC1 1458a_100000738983_200025704644 [0,0,0,0,1,0|2,0,0]=3 2253 B10R1.66 [13CH3]C(=O)CCN1CCCO1 1458a_200015187630_200025704644 [0,0,0,0,1,0|3,0,0]=4 2254 B10R1.66 [13CH3]C(=O)COC1CCCC1 1458a_100000741352_200025704644 [0,0,0,0,1,0|2,0,0]=3 2255 B12R1.252 C=C(Br)CCOC1CCCCC1 34a_100009813270_100000210327 [0,0,0,0,0,1|2,0,0]=3 2256 B12R1.252 C=C(Br)CCOC1CCCOC1 34a_100009813270_100000693364 [0,0,0,0,0,1|3,0,0]=4 2257 B12R1.252 C=C(Br)CCOC1CCSCC1 34a_100009813270_100000069128 [0,0,0,0,0,1|3,0,0]=4 2258 B12R1.252 C=C(C)CCNC1CCCCC1 2230a_100000182618_100000730704 [0,0,0,0,0,1|2,0,0]=3 2259 B12R1.252 C=C(C)CCNC1CCCCC1 34a_100000182618_100000730704 [0,0,0,0,0,1|2,0,0]=3 2260 B12R1.252 C=C(C)CCNC1CCCOC1 2230a_100000719290_100000730704 [0,0,0,0,0,1|3,0,0]=4 2261 B12R1.252 C=C(C)CCNC1CCCOC1 34a_100000719290_100000730704 [0,0,0,0,0,1|3,0,0]=4 2262 B12R1.252 C=C(C)CCNC1CCOCC1 2230a_100000741149_100000730704 [0,0,0,0,0,1|3,0,0]=4 2263 B12R1.252 C=C(C)CCNC1CCOCC1 34a_100000741149_100000730704 [0,0,0,0,0,1|3,0,0]=4 2264 B12R1.252 C=C(C)CCNC1CCSCC1 2230a_100000748639_100000730704 [0,0,0,0,0,1|3,0,0]=4 2265 B12R1.252 C=C(C)CCNC1CCSCC1 34a_100000748639_100000730704 [0,0,0,0,0,1|3,0,0]=4 2266 B12R1.252 C=C(C)CCOC1CCCCC1 34a_100000210231_100000730704 [0,0,0,0,0,1|2,0,0]=3 2267 B12R1.252 C=C(C)CCOC1CCCCC1 34a_100000764851_100000210327 [0,0,0,0,0,1|2,0,0]=3 2268 B12R1.252 C=C(C)CCOC1CCCCC1 7a_100000210231_100000730704 [0,0,0,0,0,1|2,0,0]=3 2269 B12R1.252 C=C(C)CCOC1CCCCO1 34a_100000033831_100000730704 [0,0,0,0,0,1|3,0,0]=4 2270 B12R1.252 C=C(C)CCOC1CCCOC1 34a_100000754041_100000730704 [0,0,0,0,0,1|3,0,0]=4 2271 B12R1.252 C=C(C)CCOC1CCCOC1 34a_100000764851_100000693364 [0,0,0,0,0,1|3,0,0]=4 2272 B12R1.252 C=C(C)CCOC1CCCSC1 7a_100015962668_100000730704 [0,0,0,0,0,1|3,0,0]=4 2273 B12R1.252 C=C(C)CCOC1CCOCC1 34a_100000744328_100000730704 [0,0,0,0,0,1|3,0,0]=4 2274 B12R1.252 C=C(C)CCOC1CCSCC1 34a_100000731022_100000730704 [0,0,0,0,0,1|3,0,0]=4 2275 B12R1.252 C=C(C)CCOC1CCSCC1 34a_100000764851_100000069128 [0,0,0,0,0,1|3,0,0]=4 2276 B12R1.252 C=C(C)CCOC1CCSCC1 7a_100000731022_100000730704 [0,0,0,0,0,1|3,0,0]=4 2277 B12R1.252 C=C(C)CCSC1CCCCC1 62a_100000210327_100000730704 [0,0,0,0,0,1|2,0,0]=3 2278 B12R1.252 C=C(C)CCSC1CCCCC1 62a_100000730704_100000210327 [0,0,0,0,0,1|2,0,0]=3 2279 B12R1.252 C=C(C)CCSC1CCCOC1 62a_100000730704_100000693364 [0,0,0,0,0,1|3,0,0]=4 2280 B12R1.252 C=C(C)CCSC1CCOCC1 62a_100000730704_100011324220 [0,0,0,0,0,1|3,0,0]=4 2281 B12R1.252 C=C(C)CCSC1CCSCC1 62a_100000730704_100000069128 [0,0,0,0,0,1|3,0,0]=4 2282 B12R1.252 C=C(C)CNCC1CCCCC1 2230a_100000210473_100000748629 [0,0,0,0,0,1|2,0,0]=3 2283 B12R1.252 C=C(C)CNCC1CCCCC1 34a_100000210473_100000748629 [0,0,0,0,0,1|2,0,0]=3 2284 B12R1.252 C=C(C)CNCC1CCCCO1 2230a_100000174945_100000748629 [0,0,0,0,0,1|3,0,0]=4 2285 B12R1.252 C=C(C)CNCC1CCCCO1 34a_100000174945_100000748629 [0,0,0,0,0,1|3,0,0]=4 2286 B12R1.252 C=C(C)CNCC1CCCOC1 2230a_100000720124_100000748629 [0,0,0,0,0,1|3,0,0]=4 2287 B12R1.252 C=C(C)CNCC1CCCOC1 34a_100000720124_100000748629 [0,0,0,0,0,1|3,0,0]=4 2288 B12R1.252 C=C(C)CNCC1CCOCC1 2230a_100000746373_100000748629 [0,0,0,0,0,1|3,0,0]=4 2289 B12R1.252 C=C(C)CNCC1CCOCC1 34a_100000746373_100000748629 [0,0,0,0,0,1|3,0,0]=4 2290 B12R1.252 C=C(C)CNCC1CCSCC1 2230a_100015188806_100000748629 [0,0,0,0,0,1|3,0,0]=4 2291 B12R1.252 C=C(C)CNCC1CCSCC1 34a_100015188806_100000748629 [0,0,0,0,0,1|3,0,0]=4 2292 B12R1.252 C=C(C)COCC1CCCCC1 34a_100000210245_100000211423 [0,0,0,0,0,1|2,0,0]=3 2293 B12R1.252 C=C(C)COCC1CCCCC1 34a_100000212181_100000748629 [0,0,0,0,0,1|2,0,0]=3 2294 B12R1.252 C=C(C)COCC1CCCCC1 7a_100000212181_100000748629 [0,0,0,0,0,1|2,0,0]=3 2295 B12R1.252 C=C(C)COCC1CCCCN1 34a_100000210821_100000748629 [0,0,0,0,0,1|3,0,0]=4 2296 B12R1.252 C=C(C)COCC1CCCCO1 34a_100000210245_100000211543 [0,0,0,0,0,1|3,0,0]=4 2297 B12R1.252 C=C(C)COCC1CCCCO1 34a_100000211370_100000748629 [0,0,0,0,0,1|3,0,0]=4 2298 B12R1.252 C=C(C)COCC1CCCCO1 7a_100000211370_100000748629 [0,0,0,0,0,1|3,0,0]=4 2299 B12R1.252 C=C(C)COCC1CCCNC1 34a_100000211344_100000748629 [0,0,0,0,0,1|3,0,0]=4 2300 B12R1.252 C=C(C)COCC1CCCOC1 34a_100000210245_100000741521 [0,0,0,0,0,1|3,0,0]=4 2301 B12R1.252 C=C(C)COCC1CCCOC1 34a_100000741520_100000748629 [0,0,0,0,0,1|3,0,0]=4 2302 B12R1.252 C=C(C)COCC1CCNCC1 34a_100000738675_100000748629 [0,0,0,0,0,1|3,0,0]=4 2303 B12R1.252 C=C(C)COCC1CCOCC1 34a_100000210245_100000754603 [0,0,0,0,0,1|3,0,0]=4 2304 B12R1.252 C=C(C)COCC1CCOCC1 34a_100000749013_100000748629 [0,0,0,0,0,1|3,0,0]=4 2305 B12R1.252 C=C(C)COCC1CCSCC1 34a_100000070558_100000748629 [0,0,0,0,0,1|3,0,0]=4 2306 B12R1.252 C=C(C)COCC1CCSCC1 7a_100000070558_100000748629 [0,0,0,0,0,1|3,0,0]=4 2307 B12R1.252 C=C(C)CSCC1CCCCC1 62a_100000211423_100000211660 [0,0,0,0,0,1|2,0,0]=3 2308 B12R1.252 C=C(C)CSCC1CCCCC1 62a_100000748629_100000211423 [0,0,0,0,0,1|2,0,0]=3 2309 B12R1.252 C=C(C)CSCC1CCCCO1 62a_100000211543_100000211660 [0,0,0,0,0,1|3,0,0]=4 2310 B12R1.252 C=C(C)CSCC1CCCCO1 62a_100000748629_100000211543 [0,0,0,0,0,1|3,0,0]=4 2311 B12R1.252 C=C(C)CSCC1CCCOC1 62a_100000741521_100000211660 [0,0,0,0,0,1|3,0,0]=4 2312 B12R1.252 C=C(C)CSCC1CCCOC1 62a_100000748629_100000741521 [0,0,0,0,0,1|3,0,0]=4 2313 B12R1.252 C=C(C)CSCC1CCOCC1 62a_100000748629_100000749018 [0,0,0,0,0,1|3,0,0]=4 2314 B12R1.252 C=C(C)CSCC1CCOCC1 62a_100000754603_100000211660 [0,0,0,0,0,1|3,0,0]=4 2315 B12R1.252 C=C(F)CNCC1CCCCC1 2230a_100000210473_100009893438 [0,0,0,0,0,1|2,0,0]=3 2316 B12R1.252 C=C(F)CNCC1CCCCC1 34a_100000210473_100009893438 [0,0,0,0,0,1|2,0,0]=3 2317 B12R1.252 C=C(F)CNCC1CCCCO1 2230a_100000174945_100009893438 [0,0,0,0,0,1|3,0,0]=4 2318 B12R1.252 C=C(F)CNCC1CCCCO1 34a_100000174945_100009893438 [0,0,0,0,0,1|3,0,0]=4 2319 B12R1.252 C=C(F)CNCC1CCCOC1 2230a_100000720124_100009893438 [0,0,0,0,0,1|3,0,0]=4 2320 B12R1.252 C=C(F)CNCC1CCCOC1 34a_100000720124_100009893438 [0,0,0,0,0,1|3,0,0]=4 2321 B12R1.252 C=C(F)CNCC1CCOCC1 2230a_100000746373_100009893438 [0,0,0,0,0,1|3,0,0]=4 2322 B12R1.252 C=C(F)CNCC1CCOCC1 34a_100000746373_100009893438 [0,0,0,0,0,1|3,0,0]=4 2323 B12R1.252 C=C(F)CNCC1CCSCC1 2230a_100015188806_100009893438 [0,0,0,0,0,1|3,0,0]=4 2324 B12R1.252 C=C(F)CNCC1CCSCC1 34a_100015188806_100009893438 [0,0,0,0,0,1|3,0,0]=4 2325 B12R1.252 C=C(F)COCC1CCCCC1 34a_100000212181_100009893438 [0,0,0,0,0,1|2,0,0]=3 2326 B12R1.252 C=C(F)COCC1CCCCC1 34a_200010262243_100000211423 [0,0,0,0,0,1|2,0,0]=3 2327 B12R1.252 C=C(F)COCC1CCCCC1 7a_100000212181_100000042424 [0,0,0,0,0,1|2,0,0]=3 2328 B12R1.252 C=C(F)COCC1CCCCN1 34a_100000210821_100009893438 [0,0,0,0,0,1|3,0,0]=4 2329 B12R1.252 C=C(F)COCC1CCCCO1 34a_100000211370_100009893438 [0,0,0,0,0,1|3,0,0]=4 2330 B12R1.252 C=C(F)COCC1CCCCO1 34a_200010262243_100000211543 [0,0,0,0,0,1|3,0,0]=4 2331 B12R1.252 C=C(F)COCC1CCCCO1 7a_100000211370_100000042424 [0,0,0,0,0,1|3,0,0]=4 2332 B12R1.252 C=C(F)COCC1CCCNC1 34a_100000211344_100009893438 [0,0,0,0,0,1|3,0,0]=4 2333 B12R1.252 C=C(F)COCC1CCCOC1 34a_100000741520_100009893438 [0,0,0,0,0,1|3,0,0]=4 2334 B12R1.252 C=C(F)COCC1CCCOC1 34a_200010262243_100000741521 [0,0,0,0,0,1|3,0,0]=4 2335 B12R1.252 C=C(F)COCC1CCNCC1 34a_100000738675_100009893438 [0,0,0,0,0,1|3,0,0]=4 2336 B12R1.252 C=C(F)COCC1CCOCC1 34a_100000749013_100009893438 [0,0,0,0,0,1|3,0,0]=4 2337 B12R1.252 C=C(F)COCC1CCOCC1 34a_200010262243_100000754603 [0,0,0,0,0,1|3,0,0]=4 2338 B12R1.252 C=C(F)COCC1CCSCC1 34a_100000070558_100009893438 [0,0,0,0,0,1|3,0,0]=4 2339 B12R1.252 C=C(F)COCC1CCSCC1 7a_100000070558_100000042424 [0,0,0,0,0,1|3,0,0]=4 2340 B12R1.252 C=C(F)CSCC1CCCCC1 62a_100000042424_100000211423 [0,0,0,0,0,1|2,0,0]=3 2341 B12R1.252 C=C(F)CSCC1CCCCC1 62a_100000211423_100000042424 [0,0,0,0,0,1|2,0,0]=3 2342 B12R1.252 C=C(F)CSCC1CCCCO1 62a_100000042424_100000211543 [0,0,0,0,0,1|3,0,0]=4 2343 B12R1.252 C=C(F)CSCC1CCCCO1 62a_100000211543_100000042424 [0,0,0,0,0,1|3,0,0]=4 2344 B12R1.252 C=C(F)CSCC1CCCOC1 62a_100000042424_100000741521 [0,0,0,0,0,1|3,0,0]=4 2345 B12R1.252 C=C(F)CSCC1CCCOC1 62a_100000741521_100000042424 [0,0,0,0,0,1|3,0,0]=4 2346 B12R1.252 C=C(F)CSCC1CCOCC1 62a_100000042424_100000749018 [0,0,0,0,0,1|3,0,0]=4 2347 B12R1.252 C=C(F)CSCC1CCOCC1 62a_100000754603_100000042424 [0,0,0,0,0,1|3,0,0]=4 2348 B12R1.252 CC(=CCNC1CCCCC1)C 2230a_100000182618_100000761012 [0,0,0,0,0,1|2,0,1]=4 2349 B12R1.252 CC(=CCNC1CCCCC1)C 270004a_100000718196_100000210434 [0,0,0,0,0,1|2,0,1]=4 2350 B12R1.252 CC(=CCNC1CCCCC1)C 34a_100000182618_100000761012 [0,0,0,0,0,1|2,0,1]=4 2351 B12R1.252 CC(=CCNC1CCCCC1)C 34a_100000718196_100000210327 [0,0,0,0,0,1|2,0,1]=4 2352 B12R1.252 CC(=CCOC1CCCCC1)C 34a_100000210231_100000761012 [0,0,0,0,0,1|2,0,1]=4 2353 B12R1.252 CC(=CCOC1CCCCC1)C 34a_100000753907_100000210327 [0,0,0,0,0,1|2,0,1]=4 2354 B12R1.252 CC(=CCOC1CCCCC1)C 7a_100000210231_100000761012 [0,0,0,0,0,1|2,0,1]=4 2355 B12R1.252 CC(=CCSC1CCCCC1)C 62a_100000210327_100000761012 [0,0,0,0,0,1|2,0,1]=4 2356 B12R1.252 CC(=CCSC1CCCCC1)C 62a_100000761012_100000210327 [0,0,0,0,0,1|2,0,1]=4 2357 B12R1.252 CC(=O)C=CCN1CCCCC1 1458a_100015232380_200000210301 [0,0,0,0,0,1|2,0,1]=4 2358 B12R1.252 CC(=O)CCCC1CCCCC1 1458a_100000070787_100011713725 [0,0,0,0,0,1|1,0,0]=2 2359 B12R1.252 CC(=O)CCCC1CCCCC1 1458a_100000211478_200000210301 [0,0,0,0,0,1|1,0,0]=2 2360 B12R1.252 CC(=O)CCCN1CCCCC1 1458a_100000070787_100000690320 [0,0,0,0,0,1|2,0,0]=3 2361 B12R1.252 CC(=O)CCCN1CCCCC1 1458a_100000742516_200000210301 [0,0,0,0,0,1|2,0,0]=3 2362 B12R1.252 CC(=O)CCCN1CCCOC1 269982a_100000131196_100011215641 [0,0,0,0,0,1|3,0,0]=4 2363 B12R1.252 CC(=O)CCCN1CCCOC1 34a_100000131196_100000685027 [0,0,0,0,0,1|3,0,0]=4 2364 B12R1.252 CC(=O)CCCN1CCOCC1 1458a_100000070787_100000748698 [0,0,0,0,0,1|3,0,0]=4 2365 B12R1.252 CC(=O)CCCN1CCOCC1 269982a_100015191051_100011215641 [0,0,0,0,0,1|3,0,0]=4 2366 B12R1.252 CC(=O)CCCN1CCOCC1 34a_100015191051_100000685027 [0,0,0,0,0,1|3,0,0]=4 2367 B12R1.252 CC(=O)CCCN1CCSCC1 269982a_100000737611_100011215641 [0,0,0,0,0,1|3,0,0]=4 2368 B12R1.252 CC(=O)CCOC1C=CCCC1 7a_100000759926_100000751183 [0,0,0,0,0,1|1,0,2]=4 2369 B12R1.252 CC(=O)CCOC1CCCCC1 1458a_100000070787_100011211530 [0,0,0,0,0,1|1,0,0]=2 2370 B12R1.252 CC(=O)CCOC1CCCCC1 34a_100000759926_100000210327 [0,0,0,0,0,1|1,0,0]=2 2371 B12R1.252 CC(=O)CCOC1CCCCC1 7a_100000210231_100000053229 [0,0,0,0,0,1|1,0,0]=2 2372 B12R1.252 CC(=O)CCOC1CCCCC1 7a_100000759926_100000210327 [0,0,0,0,0,1|1,0,0]=2 2373 B12R1.252 CC(=O)CCOC1CCCCO1 1458a_100000070787_100000744793 [0,0,0,0,0,1|2,0,0]=3 2374 B12R1.252 CC(=O)CCOC1CCCOC1 34a_100000759926_100000693364 [0,0,0,0,0,1|2,0,0]=3 2375 B12R1.252 CC(=O)CCOC1CCCOC1 7a_100000759926_100000693364 [0,0,0,0,0,1|2,0,0]=3 2376 B12R1.252 CC(=O)CCOC1CCCSC1 7a_100015962668_100000053229 [0,0,0,0,0,1|2,0,0]=3 2377 B12R1.252 CC(=O)CCOC1CCOCC1 7a_100000759926_100000686592 [0,0,0,0,0,1|2,0,0]=3 2378 B12R1.252 CC(=O)CCOC1CCSCC1 34a_100000759926_100000069128 [0,0,0,0,0,1|2,0,0]=3 2379 B12R1.252 CC(=O)CCOC1CCSCC1 7a_100000731022_100000053229 [0,0,0,0,0,1|2,0,0]=3 2380 B12R1.252 CC(=O)CCOC1CCSCC1 7a_100000759926_100011500858 [0,0,0,0,0,1|2,0,0]=3 2381 B12R1.252 CC(=O)CCSC1C=CCCC1 62a_100000053229_100000751183 [0,0,0,0,0,1|1,0,2]=4 2382 B12R1.252 CC(=O)CCSC1C=CCCC1 62a_100000751183_100000053229 [0,0,0,0,0,1|1,0,2]=4 2383 B12R1.252 CC(=O)CCSC1CCCCC1 62a_100000053229_100000210327 [0,0,0,0,0,1|1,0,0]=2 2384 B12R1.252 CC(=O)CCSC1CCCCC1 62a_100000210327_100000053229 [0,0,0,0,0,1|1,0,0]=2 2385 B12R1.252 CC(=O)CCSC1CCCOC1 62a_100000053229_100000693364 [0,0,0,0,0,1|2,0,0]=3 2386 B12R1.252 CC(=O)CCSC1CCOCC1 62a_100000053229_100011324220 [0,0,0,0,0,1|2,0,0]=3 2387 B12R1.252 CC(=O)CCSC1CCSCC1 62a_100000053229_100000069128 [0,0,0,0,0,1|2,0,0]=3 2388 B12R1.252 CC(=O)COCC1CCCCC1 34a_100000211253_100000211423 [0,0,0,0,0,1|1,0,0]=2 2389 B12R1.252 CC(=O)COCC1CCCCO1 1458a_100011223378_200000210301 [0,0,0,0,0,1|2,0,0]=3 2390 B12R1.252 CC(=O)COCC1CCCCO1 34a_100000211253_100000211543 [0,0,0,0,0,1|2,0,0]=3 2391 B12R1.252 CC(=O)COCC1CCCOC1 34a_100000211253_100000741521 [0,0,0,0,0,1|2,0,0]=3 2392 B12R1.252 CC(=O)COCC1CCOCC1 34a_100000211253_100000754603 [0,0,0,0,0,1|2,0,0]=3 2393 B12R1.252 CC(=O)NCCC1=CCCCC1 11a_100000212019_100015343762 [0,0,0,0,0,1|1,0,2]=4 2394 B12R1.252 CC(=O)NCCC1=CCCCC1 1626a_100000212019_100015343762 [0,0,0,0,0,1|1,0,2]=4 2395 B12R1.252 CC(=O)NCCC1=CCCCC1 240690a_100000212019_100015343762 [0,0,0,0,0,1|1,0,2]=4 2396 B12R1.252 CC(=O)NCCC1=CCCCC1 527a_100000212019_100103153847 [0,0,0,0,0,1|1,0,2]=4 2397 B12R1.252 CC(=O)NCCC1CCCCC1 11a_100000738074_100015343762 [0,0,0,0,0,1|1,0,0]=2 2398 B12R1.252 CC(=O)NCCC1CCCCC1 1626a_100000738074_100015343762 [0,0,0,0,0,1|1,0,0]=2 2399 B12R1.252 CC(=O)NCCC1CCCCC1 240690a_100000738074_100015343762 [0,0,0,0,0,1|1,0,0]=2 2400 B12R1.252 CC(=O)NCCC1CCCCC1 527a_100000738074_100103153847 [0,0,0,0,0,1|1,0,0]=2 2401 B12R1.252 CC(=O)NCCC1CCCCO1 11a_100015183643_100015343762 [0,0,0,0,0,1|2,0,0]=3 2402 B12R1.252 CC(=O)NCCC1CCCCO1 1626a_100015183643_100015343762 [0,0,0,0,0,1|2,0,0]=3 2403 B12R1.252 CC(=O)NCCC1CCCCO1 240690a_100015183643_100015343762 [0,0,0,0,0,1|2,0,0]=3 2404 B12R1.252 CC(=O)NCCC1CCCCO1 527a_100015183643_100103153847 [0,0,0,0,0,1|2,0,0]=3 2405 B12R1.252 CC(=O)NCCC1CCOCC1 11a_100000755988_100015343762 [0,0,0,0,0,1|2,0,0]=3 2406 B12R1.252 CC(=O)NCCC1CCOCC1 1626a_100000755988_100015343762 [0,0,0,0,0,1|2,0,0]=3 2407 B12R1.252 CC(=O)NCCC1CCOCC1 240690a_100000755988_100015343762 [0,0,0,0,0,1|2,0,0]=3 2408 B12R1.252 CC(=O)NCCC1CCOCC1 527a_100000755988_100103153847 [0,0,0,0,0,1|2,0,0]=3 2409 B12R1.252 CC(=O)NCCN1CCCCC1 240690a_100000216509_100015343762 [0,0,0,0,0,1|2,0,0]=3 2410 B12R1.252 CC(=O)NCCN1CCCCC1 527a_100000216509_100103153847 [0,0,0,0,0,1|2,0,0]=3 2411 B12R1.252 CC(=O)NCCN1CCCOC1 2230a_100000131196_100000189650 [0,0,0,0,0,1|3,0,0]=4 2412 B12R1.252 CC(=O)NCCN1CCCOC1 269982a_100000131196_100000189650 [0,0,0,0,0,1|3,0,0]=4 2413 B12R1.252 CC(=O)NCCN1CCOCC1 11a_100000211067_100015343762 [0,0,0,0,0,1|3,0,0]=4 2414 B12R1.252 CC(=O)NCCN1CCOCC1 2230a_100015191051_100000189650 [0,0,0,0,0,1|3,0,0]=4 2415 B12R1.252 CC(=O)NCCN1CCOCC1 240690a_100000211067_100015343762 [0,0,0,0,0,1|3,0,0]=4 2416 B12R1.252 CC(=O)NCCN1CCOCC1 269982a_100015191051_100000189650 [0,0,0,0,0,1|3,0,0]=4 2417 B12R1.252 CC(=O)NCCN1CCOCC1 527a_100000211067_100103153847 [0,0,0,0,0,1|3,0,0]=4 2418 B12R1.252 CC(=O)NCCN1CCSCC1 2230a_100000737611_100000189650 [0,0,0,0,0,1|3,0,0]=4 2419 B12R1.252 CC(=O)NCCN1CCSCC1 240690a_100000755026_100015343762 [0,0,0,0,0,1|3,0,0]=4 2420 B12R1.252 CC(=O)NCCN1CCSCC1 269982a_100000737611_100000189650 [0,0,0,0,0,1|3,0,0]=4 2421 B12R1.252 CC(=O)NCCN1CCSCC1 527a_100000755026_100103153847 [0,0,0,0,0,1|3,0,0]=4 2422 B12R1.252 CC(=O)NN=CC1CCCCC1 4a_100000189765_100000211278 [0,0,0,0,0,1|2,0,1]=4 2423 B12R1.252 CC(=O)NNCC1CCCCC1 22a_100000740227_100000070787 [0,0,0,0,0,1|2,0,0]=3 2424 B12R1.252 CC(=O)NNCC1CCOCC1 22a_200000757053_100000070787 [0,0,0,0,0,1|3,0,0]=4 2425 B12R1.252 CC(=O)OCCN1CCCOC1 269982a_100000131196_100009814007 [0,0,0,0,0,1|3,0,0]=4 2426 B12R1.252 CC(=O)OCCN1CCCOC1 34a_100000131196_100009814007 [0,0,0,0,0,1|3,0,0]=4 2427 B12R1.252 CC(=O)OCCN1CCOCC1 269982a_100015191051_100009814007 [0,0,0,0,0,1|3,0,0]=4 2428 B12R1.252 CC(=O)OCCN1CCOCC1 34a_100015191051_100009814007 [0,0,0,0,0,1|3,0,0]=4 2429 B12R1.252 CC(=O)OCCN1CCSCC1 269982a_100000737611_100009814007 [0,0,0,0,0,1|3,0,0]=4 2430 B12R1.252 CC(=O)OCNC1CCCCC1 34a_100000182618_100009813279 [0,0,0,0,0,1|2,0,0]=3 2431 B12R1.252 CC(=O)OCNC1CCCOC1 34a_100000719290_100009813279 [0,0,0,0,0,1|3,0,0]=4 2432 B12R1.252 CC(=O)OCNC1CCOCC1 34a_100000741149_100009813279 [0,0,0,0,0,1|3,0,0]=4 2433 B12R1.252 CC(=O)OCNC1CCSCC1 34a_100000748639_100009813279 [0,0,0,0,0,1|3,0,0]=4 2434 B12R1.252 CC(=O)OCOC1CCCCC1 34a_100000210231_100009813279 [0,0,0,0,0,1|2,0,0]=3 2435 B12R1.252 CC(=O)OCOC1CCCCO1 34a_100000033831_100009813279 [0,0,0,0,0,1|3,0,0]=4 2436 B12R1.252 CC(=O)OCOC1CCCOC1 34a_100000754041_100009813279 [0,0,0,0,0,1|3,0,0]=4 2437 B12R1.252 CC(=O)OCOC1CCOCC1 34a_100000744328_100009813279 [0,0,0,0,0,1|3,0,0]=4 2438 B12R1.252 CC(=O)OCOC1CCSCC1 34a_100000731022_100009813279 [0,0,0,0,0,1|3,0,0]=4 2439 B12R1.252 CC(=O)OCSC1CCCCC1 62a_100000076356_100000210327 [0,0,0,0,0,1|2,0,0]=3 2440 B12R1.252 CC(=O)OCSC1CCCCC1 62a_100000210327_100000076356 [0,0,0,0,0,1|2,0,0]=3 2441 B12R1.252 CC(=O)OCSC1CCCOC1 62a_100000076356_100000693364 [0,0,0,0,0,1|3,0,0]=4 2442 B12R1.252 CC(=O)OCSC1CCOCC1 62a_100000076356_100011324220 [0,0,0,0,0,1|3,0,0]=4 2443 B12R1.252 CC(=O)OCSC1CCSCC1 62a_100000076356_100000069128 [0,0,0,0,0,1|3,0,0]=4 2444 B12R1.252 CC(Br)CCOC1CCCCC1 34a_100009893172_100000210327 [0,0,0,0,0,1|2,0,1]=4 2445 B12R1.252 CC(Br)COCC1CCCCC1 34a_100012180447_100000211423 [0,0,0,0,0,1|2,0,1]=4 2446 B12R1.252 CC(C)CCNC1CCCCC1 2230a_100000182618_100000210312 [0,0,0,0,0,1|2,0,1]=4 2447 B12R1.252 CC(C)CCNC1CCCCC1 269862a_100000182618_100000185833 [0,0,0,0,0,1|2,0,1]=4 2448 B12R1.252 CC(C)CCNC1CCCCC1 270004a_100000210545_100000210434 [0,0,0,0,0,1|2,0,1]=4 2449 B12R1.252 CC(C)CCNC1CCCCC1 34a_100000182618_100000210312 [0,0,0,0,0,1|2,0,1]=4 2450 B12R1.252 CC(C)CCOC1CCCCC1 34a_100000210231_100000210312 [0,0,0,0,0,1|2,0,1]=4 2451 B12R1.252 CC(C)CCOC1CCCCC1 34a_100000210254_100000210327 [0,0,0,0,0,1|2,0,1]=4 2452 B12R1.252 CC(C)CCOC1CCCCC1 7a_100000210231_100000210626 [0,0,0,0,0,1|2,0,1]=4 2453 B12R1.252 CC(C)CCOC1CCCCC1 7a_100000210254_100000210327 [0,0,0,0,0,1|2,0,1]=4 2454 B12R1.252 CC(C)CCSC1CCCCC1 62a_100000210312_100000210327 [0,0,0,0,0,1|2,0,1]=4 2455 B12R1.252 CC(C)CCSC1CCCCC1 62a_100000210327_100000210312 [0,0,0,0,0,1|2,0,1]=4 2456 B12R1.252 CC(C)CNCC1CCCCC1 2230a_100000210473_100000210760 [0,0,0,0,0,1|2,0,1]=4 2457 B12R1.252 CC(C)CNCC1CCCCC1 2230a_100000210953_100000211423 [0,0,0,0,0,1|2,0,1]=4 2458 B12R1.252 CC(C)CNCC1CCCCC1 269862a_100000210953_100000211278 [0,0,0,0,0,1|2,0,1]=4 2459 B12R1.252 CC(C)CNCC1CCCCC1 270004a_100000210473_100000210432 [0,0,0,0,0,1|2,0,1]=4 2460 B12R1.252 CC(C)CNCC1CCCCC1 34a_100000210473_100000210624 [0,0,0,0,0,1|2,0,1]=4 2461 B12R1.252 CC(C)CNCC1CCCCC1 34a_100000210953_100000211423 [0,0,0,0,0,1|2,0,1]=4 2462 B12R1.252 CC(C)COCC1CCCCC1 34a_100000210257_100000211423 [0,0,0,0,0,1|2,0,1]=4 2463 B12R1.252 CC(C)COCC1CCCCC1 34a_100000212181_100000210624 [0,0,0,0,0,1|2,0,1]=4 2464 B12R1.252 CC(C)COCC1CCCCC1 7a_100000212181_100000210760 [0,0,0,0,0,1|2,0,1]=4 2465 B12R1.252 CC(C)CSCC1CCCCC1 62a_100000210624_100000211423 [0,0,0,0,0,1|2,0,1]=4 2466 B12R1.252 CC(C)CSCC1CCCCC1 62a_100000211423_100000210760 [0,0,0,0,0,1|2,0,1]=4 2467 B12R1.252 CC(C)NCCC1CCCCC1 2230a_100000738074_100000210206 [0,0,0,0,0,1|2,0,1]=4 2468 B12R1.252 CC(C)NCCC1CCCCC1 2230a_100138425928_100012355289 [0,0,0,0,0,1|2,0,1]=4 2469 B12R1.252 CC(C)NCCC1CCCCC1 34a_100000738074_100000210206 [0,0,0,0,0,1|2,0,1]=4 2470 B12R1.252 CC(C)NCCC1CCCCC1 34a_100138425928_100011209188 [0,0,0,0,0,1|2,0,1]=4 2471 B12R1.252 CC(C)OCCC1CCCCC1 34a_100000212225_100011209188 [0,0,0,0,0,1|2,0,1]=4 2472 B12R1.252 CC(C)OCCC1CCCCC1 34a_100011217863_100000210206 [0,0,0,0,0,1|2,0,1]=4 2473 B12R1.252 CC(C)OCCC1CCCCC1 7a_100011217863_100000210206 [0,0,0,0,0,1|2,0,1]=4 2474 B12R1.252 CC(C)SCCC1CCCCC1 62a_100000210206_100012355289 [0,0,0,0,0,1|2,0,1]=4 2475 B12R1.252 CC(C)SCCC1CCCCC1 62a_100012355289_100000210206 [0,0,0,0,0,1|2,0,1]=4 2476 B12R1.252 CC(F)COCC1CCCCC1 34a_100015925927_100000211423 [0,0,0,0,0,1|2,0,1]=4 2477 B12R1.252 CC(O)CCNC1CCCCC1 2230a_100000182618_100012276601 [0,0,0,0,0,1|1,0,1]=3 2478 B12R1.252 CC(O)CCNC1CCCCC1 270004a_200000755665_100000210434 [0,0,0,0,0,1|1,0,1]=3 2479 B12R1.252 CC(O)CCNC1CCCCC1 34a_100000182618_100012276601 [0,0,0,0,0,1|1,0,1]=3 2480 B12R1.252 CC(O)CCNC1CCCOC1 2230a_100000719290_100012276601 [0,0,0,0,0,1|2,0,1]=4 2481 B12R1.252 CC(O)CCNC1CCCOC1 270004a_200000755665_100000753404 [0,0,0,0,0,1|2,0,1]=4 2482 B12R1.252 CC(O)CCNC1CCCOC1 34a_100000719290_100012276601 [0,0,0,0,0,1|2,0,1]=4 2483 B12R1.252 CC(O)CCNC1CCCSC1 270004a_200000755665_100000057913 [0,0,0,0,0,1|2,0,1]=4 2484 B12R1.252 CC(O)CCNC1CCNCC1 270004a_200000755665_100015192401 [0,0,0,0,0,1|2,0,1]=4 2485 B12R1.252 CC(O)CCNC1CCOCC1 2230a_100000741149_100012276601 [0,0,0,0,0,1|2,0,1]=4 2486 B12R1.252 CC(O)CCNC1CCOCC1 270004a_200000755665_100011217826 [0,0,0,0,0,1|2,0,1]=4 2487 B12R1.252 CC(O)CCNC1CCOCC1 34a_100000741149_100012276601 [0,0,0,0,0,1|2,0,1]=4 2488 B12R1.252 CC(O)CCNC1CCSCC1 2230a_100000748639_100012276601 [0,0,0,0,0,1|2,0,1]=4 2489 B12R1.252 CC(O)CCNC1CCSCC1 270004a_200000755665_100000203788 [0,0,0,0,0,1|2,0,1]=4 2490 B12R1.252 CC(O)CCNC1CCSCC1 34a_100000748639_100012276601 [0,0,0,0,0,1|2,0,1]=4 2491 B12R1.252 CC(O)CCOC1CCCCC1 34a_100000210231_100012276601 [0,0,0,0,0,1|1,0,1]=3 2492 B12R1.252 CC(O)CCOC1CCCCC1 7a_100000210231_100012276601 [0,0,0,0,0,1|1,0,1]=3 2493 B12R1.252 CC(O)CCOC1CCCCO1 34a_100000033831_100012276601 [0,0,0,0,0,1|2,0,1]=4 2494 B12R1.252 CC(O)CCOC1CCCOC1 34a_100000754041_100012276601 [0,0,0,0,0,1|2,0,1]=4 2495 B12R1.252 CC(O)CCOC1CCCSC1 7a_100015962668_100012276601 [0,0,0,0,0,1|2,0,1]=4 2496 B12R1.252 CC(O)CCOC1CCOCC1 34a_100000744328_100012276601 [0,0,0,0,0,1|2,0,1]=4 2497 B12R1.252 CC(O)CCOC1CCSCC1 34a_100000731022_100012276601 [0,0,0,0,0,1|2,0,1]=4 2498 B12R1.252 CC(O)CCOC1CCSCC1 7a_100000731022_100012276601 [0,0,0,0,0,1|2,0,1]=4 2499 B12R1.252 CC(O)CCSC1CCCCC1 62a_100000210327_100012276601 [0,0,0,0,0,1|1,0,1]=3 2500 B12R1.252 CC(O)CCSC1CCCCC1 62a_100012276601_100000210327 [0,0,0,0,0,1|1,0,1]=3 2501 B12R1.252 CC(O)CCSC1CCCOC1 62a_100012276601_100000693364 [0,0,0,0,0,1|2,0,1]=4 2502 B12R1.252 CC(O)CCSC1CCOCC1 62a_100012276601_100011324220 [0,0,0,0,0,1|2,0,1]=4 2503 B12R1.252 CC(O)CCSC1CCSCC1 62a_100012276601_100000069128 [0,0,0,0,0,1|2,0,1]=4 2504 B12R1.252 CC(O)CNCC1CCCCC1 2230a_100000210473_100011218427 [0,0,0,0,0,1|1,0,1]=3 2505 B12R1.252 CC(O)CNCC1CCCCC1 2230a_100000210904_100000211423 [0,0,0,0,0,1|1,0,1]=3 2506 B12R1.252 CC(O)CNCC1CCCCC1 269862a_100000210904_100000211278 [0,0,0,0,0,1|1,0,1]=3 2507 B12R1.252 CC(O)CNCC1CCCCC1 34a_100000210473_100011218427 [0,0,0,0,0,1|1,0,1]=3 2508 B12R1.252 CC(O)CNCC1CCCCC1 34a_100000210904_100000211423 [0,0,0,0,0,1|1,0,1]=3 2509 B12R1.252 CC(O)CNCC1CCCCO1 2230a_100000174945_100011218427 [0,0,0,0,0,1|2,0,1]=4 2510 B12R1.252 CC(O)CNCC1CCCCO1 2230a_100000210904_100000211543 [0,0,0,0,0,1|2,0,1]=4 2511 B12R1.252 CC(O)CNCC1CCCCO1 34a_100000174945_100011218427 [0,0,0,0,0,1|2,0,1]=4 2512 B12R1.252 CC(O)CNCC1CCCCO1 34a_100000210904_100000211543 [0,0,0,0,0,1|2,0,1]=4 2513 B12R1.252 CC(O)CNCC1CCCOC1 2230a_100000210904_100000741521 [0,0,0,0,0,1|2,0,1]=4 2514 B12R1.252 CC(O)CNCC1CCCOC1 2230a_100000720124_100011218427 [0,0,0,0,0,1|2,0,1]=4 2515 B12R1.252 CC(O)CNCC1CCCOC1 34a_100000210904_100000741521 [0,0,0,0,0,1|2,0,1]=4 2516 B12R1.252 CC(O)CNCC1CCCOC1 34a_100000720124_100011218427 [0,0,0,0,0,1|2,0,1]=4 2517 B12R1.252 CC(O)CNCC1CCOCC1 2230a_100000210904_100000754603 [0,0,0,0,0,1|2,0,1]=4 2518 B12R1.252 CC(O)CNCC1CCOCC1 2230a_100000746373_100011218427 [0,0,0,0,0,1|2,0,1]=4 2519 B12R1.252 CC(O)CNCC1CCOCC1 269862a_100000210904_100000749017 [0,0,0,0,0,1|2,0,1]=4 2520 B12R1.252 CC(O)CNCC1CCOCC1 34a_100000210904_100000754603 [0,0,0,0,0,1|2,0,1]=4 2521 B12R1.252 CC(O)CNCC1CCOCC1 34a_100000746373_100011218427 [0,0,0,0,0,1|2,0,1]=4 2522 B12R1.252 CC(O)CNCC1CCSCC1 2230a_100015188806_100011218427 [0,0,0,0,0,1|2,0,1]=4 2523 B12R1.252 CC(O)CNCC1CCSCC1 269862a_100000210904_100000067145 [0,0,0,0,0,1|2,0,1]=4 2524 B12R1.252 CC(O)CNCC1CCSCC1 270004a_100000210904_100000067145 [0,0,0,0,0,1|2,0,1]=4 2525 B12R1.252 CC(O)CNCC1CCSCC1 34a_100015188806_100011218427 [0,0,0,0,0,1|2,0,1]=4 2526 B12R1.252 CC(O)COCC1CCCCC1 34a_100000212181_100011218427 [0,0,0,0,0,1|1,0,1]=3 2527 B12R1.252 CC(O)COCC1CCCCC1 7a_100000212181_100011218427 [0,0,0,0,0,1|1,0,1]=3 2528 B12R1.252 CC(O)COCC1CCCCN1 34a_100000210821_100011218427 [0,0,0,0,0,1|2,0,1]=4 2529 B12R1.252 CC(O)COCC1CCCCO1 34a_100000211370_100011218427 [0,0,0,0,0,1|2,0,1]=4 2530 B12R1.252 CC(O)COCC1CCCCO1 7a_100000211370_100011218427 [0,0,0,0,0,1|2,0,1]=4 2531 B12R1.252 CC(O)COCC1CCCNC1 34a_100000211344_100011218427 [0,0,0,0,0,1|2,0,1]=4 2532 B12R1.252 CC(O)COCC1CCCOC1 34a_100000741520_100011218427 [0,0,0,0,0,1|2,0,1]=4 2533 B12R1.252 CC(O)COCC1CCNCC1 34a_100000738675_100011218427 [0,0,0,0,0,1|2,0,1]=4 2534 B12R1.252 CC(O)COCC1CCOCC1 34a_100000749013_100011218427 [0,0,0,0,0,1|2,0,1]=4 2535 B12R1.252 CC(O)COCC1CCSCC1 34a_100000070558_100011218427 [0,0,0,0,0,1|2,0,1]=4 2536 B12R1.252 CC(O)COCC1CCSCC1 7a_100000070558_100011218427 [0,0,0,0,0,1|2,0,1]=4 2537 B12R1.252 CC(O)CSCC1CCCCC1 62a_100000211423_100011218427 [0,0,0,0,0,1|1,0,1]=3 2538 B12R1.252 CC(O)CSCC1CCCCC1 62a_100011218427_100000211423 [0,0,0,0,0,1|1,0,1]=3 2539 B12R1.252 CC(O)CSCC1CCCCO1 62a_100000211543_100011218427 [0,0,0,0,0,1|2,0,1]=4 2540 B12R1.252 CC(O)CSCC1CCCCO1 62a_100011218427_100000211543 [0,0,0,0,0,1|2,0,1]=4 2541 B12R1.252 CC(O)CSCC1CCCOC1 62a_100000741521_100011218427 [0,0,0,0,0,1|2,0,1]=4 2542 B12R1.252 CC(O)CSCC1CCCOC1 62a_100011218427_100000741521 [0,0,0,0,0,1|2,0,1]=4 2543 B12R1.252 CC(O)CSCC1CCOCC1 62a_100000754603_100011218427 [0,0,0,0,0,1|2,0,1]=4 2544 B12R1.252 CC(O)CSCC1CCOCC1 62a_100011218427_100000749018 [0,0,0,0,0,1|2,0,1]=4 2545 B12R1.252 CN(C)CCCC1CCCCC1 2230a_100102631434_100011713725 [0,0,0,0,0,1|3,0,0]=4 2546 B12R1.252 CN(C)CCCC1CCCCC1 269982a_100102631434_100011713725 [0,0,0,0,0,1|3,0,0]=4 2547 B12R1.252 CN(C)CCNC1CCCCC1 270004a_100000210585_100000210434 [0,0,0,0,0,1|3,0,0]=4 2548 B12R1.252 CN(C)CCOC1CCCCC1 2230a_100102631434_100011211530 [0,0,0,0,0,1|3,0,0]=4 2549 B12R1.252 CN(C)CCOC1CCCCC1 269982a_100102631434_100011211530 [0,0,0,0,0,1|3,0,0]=4 2550 B12R1.252 CN(C)CCOC1CCCCC1 7a_100000210231_100000755713 [0,0,0,0,0,1|3,0,0]=4 2551 B12R1.252 CN(C)CCSC1CCCCC1 62a_100000210327_100000755713 [0,0,0,0,0,1|3,0,0]=4 2552 B12R1.252 C[C@@H](Cl)COCC1CCCCC1 34a_100016084084_100000211423 [0,0,0,0,0,1|2,0,1]=4 2553 B12R1.252 C[C@@H](N)CCOC1CCCCC1 34a_100000706166_100000210327 [0,0,0,0,0,1|2,0,1]=4 2554 B12R1.252 C[C@@H](N)COCC1CCCCC1 34a_100000737577_100000211423 [0,0,0,0,0,1|2,0,1]=4 2555 B12R1.252 C[C@@H](O)CNCC1CCCCC1 2230a_100000210473_100009817552 [0,0,0,0,0,1|1,0,1]=3 2556 B12R1.252 C[C@@H](O)CNCC1CCCCC1 34a_100000210473_100009817552 [0,0,0,0,0,1|1,0,1]=3 2557 B12R1.252 C[C@@H](O)CNCC1CCCCO1 2230a_100000174945_100009817552 [0,0,0,0,0,1|2,0,1]=4 2558 B12R1.252 C[C@@H](O)CNCC1CCCCO1 34a_100000174945_100009817552 [0,0,0,0,0,1|2,0,1]=4 2559 B12R1.252 C[C@@H](O)CNCC1CCCOC1 2230a_100000720124_100009817552 [0,0,0,0,0,1|2,0,1]=4 2560 B12R1.252 C[C@@H](O)CNCC1CCCOC1 34a_100000720124_100009817552 [0,0,0,0,0,1|2,0,1]=4 2561 B12R1.252 C[C@@H](O)CNCC1CCOCC1 2230a_100000746373_100009817552 [0,0,0,0,0,1|2,0,1]=4 2562 B12R1.252 C[C@@H](O)CNCC1CCOCC1 34a_100000746373_100009817552 [0,0,0,0,0,1|2,0,1]=4 2563 B12R1.252 C[C@@H](O)CNCC1CCSCC1 2230a_100015188806_100009817552 [0,0,0,0,0,1|2,0,1]=4 2564 B12R1.252 C[C@@H](O)CNCC1CCSCC1 34a_100015188806_100009817552 [0,0,0,0,0,1|2,0,1]=4 2565 B12R1.252 C[C@@H](O)COCC1CCCCC1 34a_100000212181_100009817552 [0,0,0,0,0,1|1,0,1]=3 2566 B12R1.252 C[C@@H](O)COCC1CCCCC1 7a_100000212181_100009817552 [0,0,0,0,0,1|1,0,1]=3 2567 B12R1.252 C[C@@H](O)COCC1CCCCN1 34a_100000210821_100009817552 [0,0,0,0,0,1|2,0,1]=4 2568 B12R1.252 C[C@@H](O)COCC1CCCCO1 34a_100000211370_100009817552 [0,0,0,0,0,1|2,0,1]=4 2569 B12R1.252 C[C@@H](O)COCC1CCCCO1 7a_100000211370_100009817552 [0,0,0,0,0,1|2,0,1]=4 2570 B12R1.252 C[C@@H](O)COCC1CCCNC1 34a_100000211344_100009817552 [0,0,0,0,0,1|2,0,1]=4 2571 B12R1.252 C[C@@H](O)COCC1CCCOC1 34a_100000741520_100009817552 [0,0,0,0,0,1|2,0,1]=4 2572 B12R1.252 C[C@@H](O)COCC1CCNCC1 34a_100000738675_100009817552 [0,0,0,0,0,1|2,0,1]=4 2573 B12R1.252 C[C@@H](O)COCC1CCOCC1 34a_100000749013_100009817552 [0,0,0,0,0,1|2,0,1]=4 2574 B12R1.252 C[C@@H](O)COCC1CCSCC1 34a_100000070558_100009817552 [0,0,0,0,0,1|2,0,1]=4 2575 B12R1.252 C[C@@H](O)COCC1CCSCC1 7a_100000070558_100009817552 [0,0,0,0,0,1|2,0,1]=4 2576 B12R1.252 C[C@@H](O)CSCC1CCCCC1 62a_100000211423_100009817552 [0,0,0,0,0,1|1,0,1]=3 2577 B12R1.252 C[C@@H](O)CSCC1CCCCC1 62a_100009817552_100000211423 [0,0,0,0,0,1|1,0,1]=3 2578 B12R1.252 C[C@@H](O)CSCC1CCCCO1 62a_100000211543_100009817552 [0,0,0,0,0,1|2,0,1]=4 2579 B12R1.252 C[C@@H](O)CSCC1CCCCO1 62a_100009817552_100000211543 [0,0,0,0,0,1|2,0,1]=4 2580 B12R1.252 C[C@@H](O)CSCC1CCCOC1 62a_100000741521_100009817552 [0,0,0,0,0,1|2,0,1]=4 2581 B12R1.252 C[C@@H](O)CSCC1CCCOC1 62a_100009817552_100000741521 [0,0,0,0,0,1|2,0,1]=4 2582 B12R1.252 C[C@@H](O)CSCC1CCOCC1 62a_100000754603_100009817552 [0,0,0,0,0,1|2,0,1]=4 2583 B12R1.252 C[C@@H](O)CSCC1CCOCC1 62a_100009817552_100000749018 [0,0,0,0,0,1|2,0,1]=4 2584 B12R1.252 FC(F)CCOC1CCCCC1 34a_100103093639_100000210327 [0,0,0,0,0,1|2,0,1]=4 2585 B12R1.252 FC(F)CNCC1CCCCC1 2230a_100000210473_100011934356 [0,0,0,0,0,1|2,0,1]=4 2586 B12R1.252 FC(F)CNCC1CCCCC1 34a_100000210473_100011934356 [0,0,0,0,0,1|2,0,1]=4 2587 B12R1.252 FC(F)CNCC1CCCCC1 34a_100000765723_100000211423 [0,0,0,0,0,1|2,0,1]=4 2588 B12R1.252 FC(F)COCC1CCCCC1 34a_100000212181_100011934356 [0,0,0,0,0,1|2,0,1]=4 2589 B12R1.252 FC(F)COCC1CCCCC1 34a_100000743014_100000211423 [0,0,0,0,0,1|2,0,1]=4 2590 B12R1.252 FC(F)COCC1CCCCC1 7a_100000212181_100011934356 [0,0,0,0,0,1|2,0,1]=4 2591 B12R1.252 FC(F)CSCC1CCCCC1 62a_100000211423_100011934356 [0,0,0,0,0,1|2,0,1]=4 2592 B12R1.252 FC(F)CSCC1CCCCC1 62a_100011934356_100000211423 [0,0,0,0,0,1|2,0,1]=4 2593 B12R1.252 NC(=O)CCCN1CCCOC1 269982a_100000131196_100102525003 [0,0,0,0,0,1|3,0,0]=4 2594 B12R1.252 NC(=O)CCCN1CCCOC1 34a_100000131196_100102525003 [0,0,0,0,0,1|3,0,0]=4 2595 B12R1.252 NC(=O)CCCN1CCOCC1 269982a_100015191051_100102525003 [0,0,0,0,0,1|3,0,0]=4 2596 B12R1.252 NC(=O)CCCN1CCOCC1 34a_100015191051_100102525003 [0,0,0,0,0,1|3,0,0]=4 2597 B12R1.252 NC(=O)CCCN1CCSCC1 269982a_100000737611_100102525003 [0,0,0,0,0,1|3,0,0]=4 2598 B12R1.252 NC(=O)CCNC1CCCCC1 2230a_100000182618_100000744528 [0,0,0,0,0,1|1,0,0]=2 2599 B12R1.252 NC(=O)CCNC1CCCCC1 34a_100000182618_100000731001 [0,0,0,0,0,1|1,0,0]=2 2600 B12R1.252 NC(=O)CCNC1CCCOC1 2230a_100000719290_100000744528 [0,0,0,0,0,1|2,0,0]=3 2601 B12R1.252 NC(=O)CCNC1CCCOC1 34a_100000719290_100000731001 [0,0,0,0,0,1|2,0,0]=3 2602 B12R1.252 NC(=O)CCNC1CCOCC1 2230a_100000741149_100000744528 [0,0,0,0,0,1|2,0,0]=3 2603 B12R1.252 NC(=O)CCNC1CCOCC1 34a_100000741149_100000731001 [0,0,0,0,0,1|2,0,0]=3 2604 B12R1.252 NC(=O)CCNC1CCSCC1 2230a_100000748639_100000744528 [0,0,0,0,0,1|2,0,0]=3 2605 B12R1.252 NC(=O)CCNC1CCSCC1 34a_100000748639_100000731001 [0,0,0,0,0,1|2,0,0]=3 2606 B12R1.252 NC(=O)CCOC1C=CCCC1 34a_100011215024_100000731001 [0,0,0,0,0,1|1,0,2]=4 2607 B12R1.252 NC(=O)CCOC1C=CCCC1 7a_100000757172_100000751183 [0,0,0,0,0,1|1,0,2]=4 2608 B12R1.252 NC(=O)CCOC1CC=CCC1 34a_100000073881_100000731001 [0,0,0,0,0,1|1,0,2]=4 2609 B12R1.252 NC(=O)CCOC1CCCCC1 34a_100000210231_100000731001 [0,0,0,0,0,1|1,0,0]=2 2610 B12R1.252 NC(=O)CCOC1CCCCC1 34a_100000757172_100000210327 [0,0,0,0,0,1|1,0,0]=2 2611 B12R1.252 NC(=O)CCOC1CCCCC1 7a_100000210231_100000744528 [0,0,0,0,0,1|1,0,0]=2 2612 B12R1.252 NC(=O)CCOC1CCCCC1 7a_100000757172_100000210327 [0,0,0,0,0,1|1,0,0]=2 2613 B12R1.252 NC(=O)CCOC1CCCCO1 34a_100000033831_100000731001 [0,0,0,0,0,1|2,0,0]=3 2614 B12R1.252 NC(=O)CCOC1CCCOC1 34a_100000754041_100000731001 [0,0,0,0,0,1|2,0,0]=3 2615 B12R1.252 NC(=O)CCOC1CCCOC1 34a_100000757172_100000693364 [0,0,0,0,0,1|2,0,0]=3 2616 B12R1.252 NC(=O)CCOC1CCCOC1 7a_100000757172_100000693364 [0,0,0,0,0,1|2,0,0]=3 2617 B12R1.252 NC(=O)CCOC1CCCSC1 7a_100015962668_100000744528 [0,0,0,0,0,1|2,0,0]=3 2618 B12R1.252 NC(=O)CCOC1CCOCC1 34a_100000744328_100000731001 [0,0,0,0,0,1|2,0,0]=3 2619 B12R1.252 NC(=O)CCOC1CCOCC1 7a_100000757172_100000686592 [0,0,0,0,0,1|2,0,0]=3 2620 B12R1.252 NC(=O)CCOC1CCSCC1 34a_100000731022_100000731001 [0,0,0,0,0,1|2,0,0]=3 2621 B12R1.252 NC(=O)CCOC1CCSCC1 34a_100000757172_100000069128 [0,0,0,0,0,1|2,0,0]=3 2622 B12R1.252 NC(=O)CCOC1CCSCC1 7a_100000731022_100000744528 [0,0,0,0,0,1|2,0,0]=3 2623 B12R1.252 NC(=O)CCOC1CCSCC1 7a_100000757172_100011500858 [0,0,0,0,0,1|2,0,0]=3 2624 B12R1.252 NC(=O)CCSC1C=CCCC1 62a_100000744528_100000751183 [0,0,0,0,0,1|1,0,2]=4 2625 B12R1.252 NC(=O)CCSC1C=CCCC1 62a_100000751183_100000744528 [0,0,0,0,0,1|1,0,2]=4 2626 B12R1.252 NC(=O)CCSC1CCCCC1 62a_100000210327_100000744528 [0,0,0,0,0,1|1,0,0]=2 2627 B12R1.252 NC(=O)CCSC1CCCCC1 62a_100000744528_100000210327 [0,0,0,0,0,1|1,0,0]=2 2628 B12R1.252 NC(=O)CCSC1CCCOC1 62a_100000744528_100000693364 [0,0,0,0,0,1|2,0,0]=3 2629 B12R1.252 NC(=O)CCSC1CCOCC1 62a_100000744528_100011324220 [0,0,0,0,0,1|2,0,0]=3 2630 B12R1.252 NC(=O)CCSC1CCSCC1 62a_100000744528_100000069128 [0,0,0,0,0,1|2,0,0]=3 2631 B12R1.252 NC(=O)CNCC1CCCCC1 2230a_100000210473_100000747473 [0,0,0,0,0,1|1,0,0]=2 2632 B12R1.252 NC(=O)CNCC1CCCCC1 2230a_100000711301_100000211423 [0,0,0,0,0,1|1,0,0]=2 2633 B12R1.252 NC(=O)CNCC1CCCCC1 34a_100000210473_100000187820 [0,0,0,0,0,1|1,0,0]=2 2634 B12R1.252 NC(=O)CNCC1CCCCO1 2230a_100000174945_100000747473 [0,0,0,0,0,1|2,0,0]=3 2635 B12R1.252 NC(=O)CNCC1CCCCO1 2230a_100000711301_100000211543 [0,0,0,0,0,1|2,0,0]=3 2636 B12R1.252 NC(=O)CNCC1CCCCO1 34a_100000174945_100000187820 [0,0,0,0,0,1|2,0,0]=3 2637 B12R1.252 NC(=O)CNCC1CCCOC1 2230a_100000711301_100000741521 [0,0,0,0,0,1|2,0,0]=3 2638 B12R1.252 NC(=O)CNCC1CCCOC1 2230a_100000720124_100000747473 [0,0,0,0,0,1|2,0,0]=3 2639 B12R1.252 NC(=O)CNCC1CCCOC1 34a_100000720124_100000187820 [0,0,0,0,0,1|2,0,0]=3 2640 B12R1.252 NC(=O)CNCC1CCOCC1 2230a_100000711301_100000754603 [0,0,0,0,0,1|2,0,0]=3 2641 B12R1.252 NC(=O)CNCC1CCOCC1 2230a_100000746373_100000747473 [0,0,0,0,0,1|2,0,0]=3 2642 B12R1.252 NC(=O)CNCC1CCOCC1 34a_100000746373_100000187820 [0,0,0,0,0,1|2,0,0]=3 2643 B12R1.252 NC(=O)CNCC1CCSCC1 2230a_100015188806_100000747473 [0,0,0,0,0,1|2,0,0]=3 2644 B12R1.252 NC(=O)CNCC1CCSCC1 34a_100015188806_100000187820 [0,0,0,0,0,1|2,0,0]=3 2645 B12R1.252 NC(=O)CNC[C@H]1COCCO1 2230a_100010981119_100000747473 [0,0,0,0,0,1|3,0,0]=4 2646 B12R1.252 NC(=O)CNC[C@H]1COCCO1 34a_100010981119_100000187820 [0,0,0,0,0,1|3,0,0]=4 2647 B12R1.252 NC(=O)COCC1CC=CCC1 34a_100000210713_100000187820 [0,0,0,0,0,1|1,0,2]=4 2648 B12R1.252 NC(=O)COCC1CCCCC1 34a_100000212181_100000187820 [0,0,0,0,0,1|1,0,0]=2 2649 B12R1.252 NC(=O)COCC1CCCCC1 7a_100000212181_100000187820 [0,0,0,0,0,1|1,0,0]=2 2650 B12R1.252 NC(=O)COCC1CCCCN1 34a_100000210821_100000187820 [0,0,0,0,0,1|2,0,0]=3 2651 B12R1.252 NC(=O)COCC1CCCCO1 34a_100000211370_100000187820 [0,0,0,0,0,1|2,0,0]=3 2652 B12R1.252 NC(=O)COCC1CCCCO1 7a_100000211370_100000187820 [0,0,0,0,0,1|2,0,0]=3 2653 B12R1.252 NC(=O)COCC1CCCNC1 34a_100000211344_100000187820 [0,0,0,0,0,1|2,0,0]=3 2654 B12R1.252 NC(=O)COCC1CCCOC1 34a_100000741520_100000187820 [0,0,0,0,0,1|2,0,0]=3 2655 B12R1.252 NC(=O)COCC1CCNCC1 34a_100000738675_100000187820 [0,0,0,0,0,1|2,0,0]=3 2656 B12R1.252 NC(=O)COCC1CCOCC1 34a_100000749013_100000187820 [0,0,0,0,0,1|2,0,0]=3 2657 B12R1.252 NC(=O)COCC1CCSCC1 34a_100000070558_100000187820 [0,0,0,0,0,1|2,0,0]=3 2658 B12R1.252 NC(=O)COCC1CCSCC1 7a_100000070558_100000187820 [0,0,0,0,0,1|2,0,0]=3 2659 B12R1.252 NC(=O)COC[C@@H]1CNCCO1 34a_100015189573_100000187820 [0,0,0,0,0,1|3,0,0]=4 2660 B12R1.252 NC(=O)COC[C@@H]1COCCN1 34a_100000717676_100000187820 [0,0,0,0,0,1|3,0,0]=4 2661 B12R1.252 NC(=O)COC[C@H]1COCCO1 34a_100009875890_100000187820 [0,0,0,0,0,1|3,0,0]=4 2662 B12R1.252 NC(=O)CSCC1CCCCC1 62a_100000211423_100000747473 [0,0,0,0,0,1|1,0,0]=2 2663 B12R1.252 NC(=O)CSCC1CCCCC1 62a_100000747473_100000211423 [0,0,0,0,0,1|1,0,0]=2 2664 B12R1.252 NC(=O)CSCC1CCCCO1 62a_100000211543_100000747473 [0,0,0,0,0,1|2,0,0]=3 2665 B12R1.252 NC(=O)CSCC1CCCCO1 62a_100000747473_100000211543 [0,0,0,0,0,1|2,0,0]=3 2666 B12R1.252 NC(=O)CSCC1CCCOC1 62a_100000741521_100000747473 [0,0,0,0,0,1|2,0,0]=3 2667 B12R1.252 NC(=O)CSCC1CCCOC1 62a_100000747473_100000741521 [0,0,0,0,0,1|2,0,0]=3 2668 B12R1.252 NC(=O)CSCC1CCOCC1 62a_100000747473_100000749018 [0,0,0,0,0,1|2,0,0]=3 2669 B12R1.252 NC(=O)CSCC1CCOCC1 62a_100000754603_100000747473 [0,0,0,0,0,1|2,0,0]=3 2670 B12R1.252 NC(=O)NCCN1CCCOC1 2230a_100000131196_200000034859 [0,0,0,0,0,1|3,0,0]=4 2671 B12R1.252 NC(=O)NCCN1CCCOC1 269982a_100000131196_200000034859 [0,0,0,0,0,1|3,0,0]=4 2672 B12R1.252 NC(=O)NCCN1CCOCC1 2230a_100015191051_200000034859 [0,0,0,0,0,1|3,0,0]=4 2673 B12R1.252 NC(=O)NCCN1CCOCC1 269982a_100015191051_200000034859 [0,0,0,0,0,1|3,0,0]=4 2674 B12R1.252 NC(=O)NCCN1CCSCC1 2230a_100000737611_200000034859 [0,0,0,0,0,1|3,0,0]=4 2675 B12R1.252 NC(=O)NCCN1CCSCC1 269982a_100000737611_200000034859 [0,0,0,0,0,1|3,0,0]=4 2676 B12R1.252 NC(=O)OCCN1CCCOC1 269982a_100000131196_200011214921 [0,0,0,0,0,1|3,0,0]=4 2677 B12R1.252 NC(=O)OCCN1CCCOC1 34a_100000131196_200011214921 [0,0,0,0,0,1|3,0,0]=4 2678 B12R1.252 NC(=O)OCCN1CCOCC1 269982a_100015191051_200011214921 [0,0,0,0,0,1|3,0,0]=4 2679 B12R1.252 NC(=O)OCCN1CCOCC1 34a_100015191051_200011214921 [0,0,0,0,0,1|3,0,0]=4 2680 B12R1.252 NC(=O)OCCN1CCSCC1 269982a_100000737611_200011214921 [0,0,0,0,0,1|3,0,0]=4 2681 B12R1.252 O=C(O)CNCC1CCCCC1 269956a_100016091260_100000211423 [0,0,0,0,0,1|0,0,0]=1 2682 B12R1.252 O=C(O)CNCC1CCCCO1 269956a_100016091260_100000211543 [0,0,0,0,0,1|1,0,0]=2 2683 B12R1.252 O=C(O)CNCC1CCCOC1 269956a_100016091260_100000741521 [0,0,0,0,0,1|1,0,0]=2 2684 B12R1.252 O=C(O)CNCC1CCOCC1 269956a_100016091260_100000754603 [0,0,0,0,0,1|1,0,0]=2 2685 B12R1.252 O=C(O)CONC1C=CCCC1 269956a_100000106656_100000751183 [0,0,0,0,0,1|1,0,2]=4 2686 B12R1.252 O=C(O)CONC1CCCCC1 269956a_100000106656_100000210327 [0,0,0,0,0,1|1,0,0]=2 2687 B12R1.252 O=C(O)CONC1CCCOC1 269956a_100000106656_100000693364 [0,0,0,0,0,1|2,0,0]=3 2688 B12R1.252 O=C(O)CONC1CCOCC1 269956a_100000106656_100011324220 [0,0,0,0,0,1|2,0,0]=3 2689 B12R1.252 O=C(O)CONC1CCSCC1 269956a_100000106656_100000069128 [0,0,0,0,0,1|2,0,0]=3 2690 B12R1.252 O=C([O-])CNCC1CCCCC1 34a_100000210473_100020667443 [0,0,0,0,0,1|0,0,1]=2 2691 B12R1.252 O=C([O-])CNCC1CCCCO1 34a_100000174945_100020667443 [0,0,0,0,0,1|1,0,1]=3 2692 B12R1.252 O=C([O-])CNCC1CCCOC1 34a_100000720124_100020667443 [0,0,0,0,0,1|1,0,1]=3 2693 B12R1.252 O=C([O-])CNCC1CCOCC1 34a_100000746373_100020667443 [0,0,0,0,0,1|1,0,1]=3 2694 B12R1.252 O=C([O-])CNCC1CCSCC1 34a_100015188806_100020667443 [0,0,0,0,0,1|1,0,1]=3 2695 B12R1.252 O=C([O-])CNC[C@H]1COCCO1 34a_100010981119_100020667443 [0,0,0,0,0,1|2,0,1]=4 2696 B12R1.252 O=C([O-])COCC1CC=CCC1 34a_100000210713_100020667443 [0,0,0,0,0,1|0,0,3]=4 2697 B12R1.252 O=C([O-])COCC1CCCCC1 34a_100000212181_100020667443 [0,0,0,0,0,1|0,0,1]=2 2698 B12R1.252 O=C([O-])COCC1CCCCN1 34a_100000210821_100020667443 [0,0,0,0,0,1|1,0,1]=3 2699 B12R1.252 O=C([O-])COCC1CCCCO1 34a_100000211370_100020667443 [0,0,0,0,0,1|1,0,1]=3 2700 B12R1.252 O=C([O-])COCC1CCCNC1 34a_100000211344_100020667443 [0,0,0,0,0,1|1,0,1]=3 2701 B12R1.252 O=C([O-])COCC1CCCOC1 34a_100000741520_100020667443 [0,0,0,0,0,1|1,0,1]=3 2702 B12R1.252 O=C([O-])COCC1CCNCC1 34a_100000738675_100020667443 [0,0,0,0,0,1|1,0,1]=3 2703 B12R1.252 O=C([O-])COCC1CCOCC1 34a_100000749013_100020667443 [0,0,0,0,0,1|1,0,1]=3 2704 B12R1.252 O=C([O-])COCC1CCSCC1 34a_100000070558_100020667443 [0,0,0,0,0,1|1,0,1]=3 2705 B12R1.252 O=C([O-])COC[C@@H]1CNCCO1 34a_100015189573_100020667443 [0,0,0,0,0,1|2,0,1]=4 2706 B12R1.252 O=C([O-])COC[C@@H]1COCCN1 34a_100000717676_100020667443 [0,0,0,0,0,1|2,0,1]=4 2707 B12R1.252 O=C([O-])COC[C@H]1COCCO1 34a_100009875890_100020667443 [0,0,0,0,0,1|2,0,1]=4 2708 B12R1.252 O=C([O-])CSCC1CCCCC1 62a_100000211423_100020667443 [0,0,0,0,0,1|0,0,1]=2 2709 B12R1.252 O=C([O-])CSCC1CCCCC1 62a_100020667443_100000211423 [0,0,0,0,0,1|0,0,1]=2 2710 B12R1.252 O=C([O-])CSCC1CCCCO1 62a_100000211543_100020667443 [0,0,0,0,0,1|1,0,1]=3 2711 B12R1.252 O=C([O-])CSCC1CCCCO1 62a_100020667443_100000211543 [0,0,0,0,0,1|1,0,1]=3 2712 B12R1.252 O=C([O-])CSCC1CCCOC1 62a_100000741521_100020667443 [0,0,0,0,0,1|1,0,1]=3 2713 B12R1.252 O=C([O-])CSCC1CCCOC1 62a_100020667443_100000741521 [0,0,0,0,0,1|1,0,1]=3 2714 B12R1.252 O=C([O-])CSCC1CCOCC1 62a_100000754603_100020667443 [0,0,0,0,0,1|1,0,1]=3 2715 B12R1.252 O=C([O-])CSCC1CCOCC1 62a_100020667443_100000749018 [0,0,0,0,0,1|1,0,1]=3 2716 B12R1.252 O=[N+]([O-])CNCC1CCCCC1 34a_100000210473_100000761209 [0,0,0,0,0,1|1,0,1]=3 2717 B12R1.252 O=[N+]([O-])CNCC1CCCCO1 34a_100000174945_100000761209 [0,0,0,0,0,1|2,0,1]=4 2718 B12R1.252 O=[N+]([O-])CNCC1CCCOC1 34a_100000720124_100000761209 [0,0,0,0,0,1|2,0,1]=4 2719 B12R1.252 O=[N+]([O-])CNCC1CCOCC1 34a_100000746373_100000761209 [0,0,0,0,0,1|2,0,1]=4 2720 B12R1.252 O=[N+]([O-])CNCC1CCSCC1 34a_100015188806_100000761209 [0,0,0,0,0,1|2,0,1]=4 2721 B12R1.252 O=[N+]([O-])COCC1CCCCC1 34a_100000212181_100000761209 [0,0,0,0,0,1|1,0,1]=3 2722 B12R1.252 O=[N+]([O-])COCC1CCCCN1 34a_100000210821_100000761209 [0,0,0,0,0,1|2,0,1]=4 2723 B12R1.252 O=[N+]([O-])COCC1CCCCO1 34a_100000211370_100000761209 [0,0,0,0,0,1|2,0,1]=4 2724 B12R1.252 O=[N+]([O-])COCC1CCCNC1 34a_100000211344_100000761209 [0,0,0,0,0,1|2,0,1]=4 2725 B12R1.252 O=[N+]([O-])COCC1CCCOC1 34a_100000741520_100000761209 [0,0,0,0,0,1|2,0,1]=4 2726 B12R1.252 O=[N+]([O-])COCC1CCNCC1 34a_100000738675_100000761209 [0,0,0,0,0,1|2,0,1]=4 2727 B12R1.252 O=[N+]([O-])COCC1CCOCC1 34a_100000749013_100000761209 [0,0,0,0,0,1|2,0,1]=4 2728 B12R1.252 O=[N+]([O-])COCC1CCSCC1 34a_100000070558_100000761209 [0,0,0,0,0,1|2,0,1]=4 2729 B12R1.252 O=[N+]([O-])CSCC1CCCCC1 62a_100000211423_100000761209 [0,0,0,0,0,1|1,0,1]=3 2730 B12R1.252 O=[N+]([O-])CSCC1CCCCO1 62a_100000211543_100000761209 [0,0,0,0,0,1|2,0,1]=4 2731 B12R1.252 O=[N+]([O-])CSCC1CCCOC1 62a_100000741521_100000761209 [0,0,0,0,0,1|2,0,1]=4 2732 B12R1.252 O=[N+]([O-])CSCC1CCOCC1 62a_100000754603_100000761209 [0,0,0,0,0,1|2,0,1]=4 2733 B12R1.252 [13CH3]C(=O)C=CCN1CCCCC1 1458a_100015232380_200025704644 [0,0,0,0,0,1|2,0,1]=4 2734 B12R1.252 [13CH3]C(=O)CCCC1CCCCC1 1458a_100000211478_200025704644 [0,0,0,0,0,1|1,0,0]=2 2735 B12R1.252 [13CH3]C(=O)CCCN1CCCCC1 1458a_100000742516_200025704644 [0,0,0,0,0,1|2,0,0]=3 2736 B12R1.252 [13CH3]C(=O)COCC1CCCCO1 1458a_100011223378_200025704644 [0,0,0,0,0,1|2,0,0]=3 2737 B12R1.1343 C=C(C)CCN1CCCCCC1 2230a_100000185865_100000730704 [0,0,0,0,0,1|3,0,0]=4 2738 B12R1.1343 C=C(C)CCN1CCCCCC1 269982a_100000185865_100000730704 [0,0,0,0,0,1|3,0,0]=4 2739 B12R1.1343 C=C(C)CCN1CCCCCC1 34a_100000185865_100000730704 [0,0,0,0,0,1|3,0,0]=4 2740 B12R1.1343 C=C(C)CCN1CCCOCC1 2230a_100000685342_100000730704 [0,0,0,0,0,1|3,0,0]=4 2741 B12R1.1343 C=C(C)CCN1CCCOCC1 269982a_100000685342_100000730704 [0,0,0,0,0,1|3,0,0]=4 2742 B12R1.1343 C=C(C)CCN1CCCOCC1 34a_100000685342_100000730704 [0,0,0,0,0,1|3,0,0]=4 2743 B12R1.1343 C=C(C)CNC1CCCCCC1 2230a_100000210984_100000748629 [0,0,0,0,0,1|3,0,0]=4 2744 B12R1.1343 C=C(C)CNC1CCCCCC1 34a_100000210984_100000748629 [0,0,0,0,0,1|3,0,0]=4 2745 B12R1.1343 C=C(C)COC1CCCCCC1 34a_100000210245_100011217769 [0,0,0,0,0,1|3,0,0]=4 2746 B12R1.1343 C=C(C)COC1CCCCCC1 34a_100000210887_100000748629 [0,0,0,0,0,1|3,0,0]=4 2747 B12R1.1343 C=C(C)COC1CCCCCC1 7a_100000210887_100000748629 [0,0,0,0,0,1|3,0,0]=4 2748 B12R1.1343 C=C(C)CSC1CCCCCC1 62a_100000748629_100011217769 [0,0,0,0,0,1|3,0,0]=4 2749 B12R1.1343 C=C(C)CSC1CCCCCC1 62a_100011217769_100000211660 [0,0,0,0,0,1|3,0,0]=4 2750 B12R1.1343 C=C(F)CNC1CCCCCC1 2230a_100000210984_100009893438 [0,0,0,0,0,1|3,0,0]=4 2751 B12R1.1343 C=C(F)CNC1CCCCCC1 34a_100000210984_100009893438 [0,0,0,0,0,1|3,0,0]=4 2752 B12R1.1343 C=C(F)COC1CCCCCC1 34a_100000210887_100009893438 [0,0,0,0,0,1|3,0,0]=4 2753 B12R1.1343 C=C(F)COC1CCCCCC1 34a_200010262243_100011217769 [0,0,0,0,0,1|3,0,0]=4 2754 B12R1.1343 C=C(F)COC1CCCCCC1 7a_100000210887_100000042424 [0,0,0,0,0,1|3,0,0]=4 2755 B12R1.1343 C=C(F)CSC1CCCCCC1 62a_100000042424_100011217769 [0,0,0,0,0,1|3,0,0]=4 2756 B12R1.1343 C=C(F)CSC1CCCCCC1 62a_100011217769_100000042424 [0,0,0,0,0,1|3,0,0]=4 2757 B12R1.1343 CC(=O)CCN1CCCCCC1 1458a_100000070787_100000722644 [0,0,0,0,0,1|2,0,0]=3 2758 B12R1.1343 CC(=O)CCN1CCCCCC1 1458a_100000740320_200000210301 [0,0,0,0,0,1|2,0,0]=3 2759 B12R1.1343 CC(=O)CCN1CCCCCC1 269982a_100000185865_100000053229 [0,0,0,0,0,1|2,0,0]=3 2760 B12R1.1343 CC(=O)CCN1CCCOCC1 269982a_100000685342_100000053229 [0,0,0,0,0,1|2,0,0]=3 2761 B12R1.1343 CC(=O)CNC1=NCCCCC1 1458a_100000016077_200000210301 [0,0,0,0,0,1|2,0,1]=4 2762 B12R1.1343 CC(=O)COC1CCCCCC1 34a_100000211253_100011217769 [0,0,0,0,0,1|2,0,0]=3 2763 B12R1.1343 CC(=O)NCC1CCCCCC1 11a_100015204231_100015343762 [0,0,0,0,0,1|2,0,0]=3 2764 B12R1.1343 CC(=O)NCC1CCCCCC1 1626a_100015204231_100015343762 [0,0,0,0,0,1|2,0,0]=3 2765 B12R1.1343 CC(=O)NCC1CCCCCC1 240690a_100015204231_100015343762 [0,0,0,0,0,1|2,0,0]=3 2766 B12R1.1343 CC(=O)NCC1CCCCCC1 527a_100015204231_100103153847 [0,0,0,0,0,1|2,0,0]=3 2767 B12R1.1343 CC(=O)OCN1CCCCCC1 269982a_100000185865_100000076356 [0,0,0,0,0,1|3,0,0]=4 2768 B12R1.1343 CC(=O)OCN1CCCCCC1 34a_100000185865_100009813279 [0,0,0,0,0,1|3,0,0]=4 2769 B12R1.1343 CC(=O)OCN1CCCOCC1 269982a_100000685342_100000076356 [0,0,0,0,0,1|3,0,0]=4 2770 B12R1.1343 CC(=O)OCN1CCCOCC1 34a_100000685342_100009813279 [0,0,0,0,0,1|3,0,0]=4 2771 B12R1.1343 CC(O)CCN1CCCCCC1 2230a_100000185865_100012276601 [0,0,0,0,0,1|2,0,1]=4 2772 B12R1.1343 CC(O)CCN1CCCCCC1 269982a_100000185865_100012276601 [0,0,0,0,0,1|2,0,1]=4 2773 B12R1.1343 CC(O)CCN1CCCCCC1 34a_100000185865_100012276601 [0,0,0,0,0,1|2,0,1]=4 2774 B12R1.1343 CC(O)CCN1CCCOCC1 2230a_100000685342_100012276601 [0,0,0,0,0,1|2,0,1]=4 2775 B12R1.1343 CC(O)CCN1CCCOCC1 269982a_100000685342_100012276601 [0,0,0,0,0,1|2,0,1]=4 2776 B12R1.1343 CC(O)CCN1CCCOCC1 34a_100000685342_100012276601 [0,0,0,0,0,1|2,0,1]=4 2777 B12R1.1343 CC(O)CNC1CCCCCC1 2230a_100000210984_100011218427 [0,0,0,0,0,1|2,0,1]=4 2778 B12R1.1343 CC(O)CNC1CCCCCC1 270004a_100000210904_100000210131 [0,0,0,0,0,1|2,0,1]=4 2779 B12R1.1343 CC(O)CNC1CCCCCC1 34a_100000210904_100011217769 [0,0,0,0,0,1|2,0,1]=4 2780 B12R1.1343 CC(O)CNC1CCCCCC1 34a_100000210984_100011218427 [0,0,0,0,0,1|2,0,1]=4 2781 B12R1.1343 CC(O)CNC1CCCNCC1 270004a_100000210904_100015187895 [0,0,0,0,0,1|2,0,1]=4 2782 B12R1.1343 CC(O)COC1CCCCCC1 34a_100000210887_100011218427 [0,0,0,0,0,1|2,0,1]=4 2783 B12R1.1343 CC(O)COC1CCCCCC1 7a_100000210887_100011218427 [0,0,0,0,0,1|2,0,1]=4 2784 B12R1.1343 CC(O)CSC1CCCCCC1 62a_100011217769_100011218427 [0,0,0,0,0,1|2,0,1]=4 2785 B12R1.1343 CC(O)CSC1CCCCCC1 62a_100011218427_100011217769 [0,0,0,0,0,1|2,0,1]=4 2786 B12R1.1343 C[C@@H](O)CNC1CCCCCC1 2230a_100000210984_100009817552 [0,0,0,0,0,1|2,0,1]=4 2787 B12R1.1343 C[C@@H](O)CNC1CCCCCC1 34a_100000210984_100009817552 [0,0,0,0,0,1|2,0,1]=4 2788 B12R1.1343 C[C@@H](O)COC1CCCCCC1 34a_100000210887_100009817552 [0,0,0,0,0,1|2,0,1]=4 2789 B12R1.1343 C[C@@H](O)COC1CCCCCC1 7a_100000210887_100009817552 [0,0,0,0,0,1|2,0,1]=4 2790 B12R1.1343 C[C@@H](O)CSC1CCCCCC1 62a_100009817552_100011217769 [0,0,0,0,0,1|2,0,1]=4 2791 B12R1.1343 C[C@@H](O)CSC1CCCCCC1 62a_100011217769_100009817552 [0,0,0,0,0,1|2,0,1]=4 2792 B12R1.1343 NC(=O)CCN1CCCCCC1 2230a_100000185865_100000744528 [0,0,0,0,0,1|2,0,0]=3 2793 B12R1.1343 NC(=O)CCN1CCCCCC1 269982a_100000185865_100000744528 [0,0,0,0,0,1|2,0,0]=3 2794 B12R1.1343 NC(=O)CCN1CCCCCC1 34a_100000185865_100000731001 [0,0,0,0,0,1|2,0,0]=3 2795 B12R1.1343 NC(=O)CCN1CCCOCC1 2230a_100000685342_100000744528 [0,0,0,0,0,1|2,0,0]=3 2796 B12R1.1343 NC(=O)CCN1CCCOCC1 269982a_100000685342_100000744528 [0,0,0,0,0,1|2,0,0]=3 2797 B12R1.1343 NC(=O)CCN1CCCOCC1 34a_100000685342_100000731001 [0,0,0,0,0,1|2,0,0]=3 2798 B12R1.1343 NC(=O)CNC1CCCCCC1 2230a_100000210984_100000747473 [0,0,0,0,0,1|2,0,0]=3 2799 B12R1.1343 NC(=O)CNC1CCCCCC1 34a_100000210984_100000187820 [0,0,0,0,0,1|2,0,0]=3 2800 B12R1.1343 NC(=O)COC1CCCCCC1 34a_100000210887_100000187820 [0,0,0,0,0,1|2,0,0]=3 2801 B12R1.1343 NC(=O)COC1CCCCCC1 7a_100000210887_100000187820 [0,0,0,0,0,1|2,0,0]=3 2802 B12R1.1343 NC(=O)CSC1CCCCCC1 62a_100000747473_100011217769 [0,0,0,0,0,1|2,0,0]=3 2803 B12R1.1343 NC(=O)CSC1CCCCCC1 62a_100011217769_100000747473 [0,0,0,0,0,1|2,0,0]=3 2804 B12R1.1343 O=C(O)CNC1CCCCCC1 269956a_100016091260_100011217769 [0,0,0,0,0,1|1,0,0]=2 2805 B12R1.1343 O=C([O-])CNC1CCCCCC1 34a_100000210984_100020667443 [0,0,0,0,0,1|1,0,1]=3 2806 B12R1.1343 O=C([O-])COC1CCCCCC1 34a_100000210887_100020667443 [0,0,0,0,0,1|1,0,1]=3 2807 B12R1.1343 O=C([O-])CSC1CCCCCC1 62a_100011217769_100020667443 [0,0,0,0,0,1|1,0,1]=3 2808 B12R1.1343 O=C([O-])CSC1CCCCCC1 62a_100020667443_100011217769 [0,0,0,0,0,1|1,0,1]=3 2809 B12R1.1343 O=[N+]([O-])CNC1CCCCCC1 34a_100000210984_100000761209 [0,0,0,0,0,1|2,0,1]=4 2810 B12R1.1343 O=[N+]([O-])COC1CCCCCC1 34a_100000210887_100000761209 [0,0,0,0,0,1|2,0,1]=4 2811 B12R1.1343 O=[N+]([O-])CSC1CCCCCC1 62a_100011217769_100000761209 [0,0,0,0,0,1|2,0,1]=4 2812 B12R1.1343 [13CH3]C(=O)CCN1CCCCCC1 1458a_100000740320_200025704644 [0,0,0,0,0,1|2,0,0]=3 2813 B12R1.1343 [13CH3]C(=O)CNC1=NCCCCC1 1458a_100000016077_200025704644 [0,0,0,0,0,1|2,0,1]=4 2814 B9R0.2 CC(=O)CCCCCCF 1458a_100000070787_100015922095 [1,0,1,0,0,0|2,0,0]=4 2815 B9R0.2 CC(=O)CCCCCCO 1458a_100000070787_100000766143 [1,0,1,0,0,0|2,0,0]=4 2816 B9R0.2 CC(=O)CCCCCCO 1458a_100011996774_200000210301 [1,0,1,0,0,0|2,0,0]=4 2817 B9R0.2 CCCCCCCC(=O)C 1458a_100000070787_100000210614 [1,0,1,0,0,0|1,0,0]=3 2818 B9R0.2 CCCCCCCC(=O)C 1458a_100000211969_200000210301 [1,0,1,0,0,0|1,0,0]=3 2819 B9R0.2 CCCCCCCC(=O)[13CH3] 1458a_100000211969_200025704644 [1,0,1,0,0,0|1,0,0]=3 2820 B9R0.2 CCCCCCNC(=O)C 11a_100000210581_100015343762 [1,0,1,0,0,0|2,0,0]=4 2821 B9R0.2 CCCCCCNC(=O)C 1626a_100000210581_100015343762 [1,0,1,0,0,0|2,0,0]=4 2822 B9R0.2 CCCCCCNC(=O)C 240690a_100000210581_100015343762 [1,0,1,0,0,0|2,0,0]=4 2823 B9R0.2 CCCCCCNC(=O)C 527a_100000210581_100103153847 [1,0,1,0,0,0|2,0,0]=4 2824 B9R0.2 CCCCCNCC(=O)N 2230a_100000209983_100000747473 [1,0,1,0,0,0|2,0,0]=4 2825 B9R0.2 CCCCCNCC(=O)N 2230a_100000711301_100000210326 [1,0,1,0,0,0|2,0,0]=4 2826 B9R0.2 CCCCCNCC(=O)O 269956a_100016091260_100000210326 [1,0,1,0,0,0|1,0,0]=3 2827 B9R0.2 CCCCCOCC(=O)C 34a_100000211253_100000718602 [1,0,1,0,0,0|2,0,0]=4 2828 B9R0.2 CCCCCOCC(=O)N 34a_100000210253_100000187820 [1,0,1,0,0,0|2,0,0]=4 2829 B9R0.2 CCCCCOCC(=O)N 7a_100000210253_100000187820 [1,0,1,0,0,0|2,0,0]=4 2830 B9R0.2 CCCCCOCC(=O)[O-] 34a_100000210253_100020667443 [1,0,1,0,0,0|1,0,1]=4 2831 B9R0.2 CCCCCSCC(=O)N 62a_100000210326_100000747473 [1,0,1,0,0,0|2,0,0]=4 2832 B9R0.2 CCCCCSCC(=O)N 62a_100000747473_100000210326 [1,0,1,0,0,0|2,0,0]=4 2833 B9R0.2 CCCCCSCC(=O)[O-] 62a_100000210326_100020667443 [1,0,1,0,0,0|1,0,1]=4 2834 B9R0.2 CCCCCSCC(=O)[O-] 62a_100020667443_100000210326 [1,0,1,0,0,0|1,0,1]=4 2835 B9R0.2 CCCCNCCC(=O)C 7a_106832991798_100000053229 [1,0,1,0,0,0|2,0,0]=4 2836 B9R0.2 CCCCNCCC(=O)N 2230a_100000102301_100000744528 [1,0,1,0,0,0|2,0,0]=4 2837 B9R0.2 CCCCNCCC(=O)N 7a_106832991798_100000744528 [1,0,1,0,0,0|2,0,0]=4 2838 B9R0.2 CCCCNOCC(=O)O 269956a_100000106656_100000210211 [1,0,1,0,0,0|2,0,0]=4 2839 B9R0.2 CCCCOCCC(=O)C 1458a_100000070787_100000743108 [1,0,1,0,0,0|2,0,0]=4 2840 B9R0.2 CCCCOCCC(=O)C 34a_100000759926_100000210210 [1,0,1,0,0,0|2,0,0]=4 2841 B9R0.2 CCCCOCCC(=O)C 7a_100000210227_100000053229 [1,0,1,0,0,0|2,0,0]=4 2842 B9R0.2 CCCCOCCC(=O)C 7a_100000759926_100000210211 [1,0,1,0,0,0|2,0,0]=4 2843 B9R0.2 CCCCOCCC(=O)N 34a_100000210227_100000731001 [1,0,1,0,0,0|2,0,0]=4 2844 B9R0.2 CCCCOCCC(=O)N 34a_100000757172_100000210210 [1,0,1,0,0,0|2,0,0]=4 2845 B9R0.2 CCCCOCCC(=O)N 7a_100000210227_100000744528 [1,0,1,0,0,0|2,0,0]=4 2846 B9R0.2 CCCCOCCC(=O)N 7a_100000757172_100000210211 [1,0,1,0,0,0|2,0,0]=4 2847 B9R0.2 CCCCSCCC(=O)C 62a_100000053229_100000210210 [1,0,1,0,0,0|2,0,0]=4 2848 B9R0.2 CCCCSCCC(=O)C 62a_100000210211_100000053229 [1,0,1,0,0,0|2,0,0]=4 2849 B9R0.2 CCCCSCCC(=O)N 62a_100000210211_100000744528 [1,0,1,0,0,0|2,0,0]=4 2850 B9R0.2 CCCCSCCC(=O)N 62a_100000744528_100000210210 [1,0,1,0,0,0|2,0,0]=4 2851 B9R0.2 CCCNCCCC(=O)N 34a_100000739312_100000210303 [1,0,1,0,0,0|2,0,0]=4 2852 B9R0.2 CCCOCCCC(=O)C 34a_100000210258_100000685027 [1,0,1,0,0,0|2,0,0]=4 2853 B9R0.2 CCCOCCCC(=O)C 34a_100000759063_100000210303 [1,0,1,0,0,0|2,0,0]=4 2854 B9R0.2 CCCOCCCC(=O)C 7a_100000759063_100000210303 [1,0,1,0,0,0|2,0,0]=4 2855 B9R0.2 CCCOCCCC(=O)N 34a_100000210258_100102525003 [1,0,1,0,0,0|2,0,0]=4 2856 B9R0.2 CCCSCCCC(=O)C 62a_100000210303_100011215641 [1,0,1,0,0,0|2,0,0]=4 2857 B9R0.2 CCCSCCCC(=O)C 62a_100011215641_100000210303 [1,0,1,0,0,0|2,0,0]=4 2858 B9R0.2 CCCSCCCC(=O)N 62a_100000210303_100102525003 [1,0,1,0,0,0|2,0,0]=4 2859 B9R0.2 CCCSCCCC(=O)N 62a_100102525003_100000210303 [1,0,1,0,0,0|2,0,0]=4 2860 B9R0.2 CCNCCCCC(=O)N 34a_100000696515_100000210202 [1,0,1,0,0,0|2,0,0]=4 2861 B9R0.2 CCNCCOCC(=O)O 269956a_100000700818_100000210202 [1,0,1,0,0,0|2,0,0]=4 2862 B9R0.2 CCOCCCCC(=O)C 34a_100121572206_100009817362 [1,0,1,0,0,0|2,0,0]=4 2863 B9R0.2 CCOCCCCC(=O)N 34a_100012022536_100000210202 [1,0,1,0,0,0|2,0,0]=4 2864 B9R0.2 CCOCCCCC(=O)N 7a_100012022536_100000210202 [1,0,1,0,0,0|2,0,0]=4 2865 B9R0.2 CCOCCNCC(=O)O 269956a_100016091260_100000210147 [1,0,1,0,0,0|2,0,0]=4 2866 B9R0.2 CCSCCCCC(=O)C 62a_100000210202_100000735457 [1,0,1,0,0,0|2,0,0]=4 2867 B9R0.2 CCSCCCCC(=O)C 62a_100000735457_100000210202 [1,0,1,0,0,0|2,0,0]=4 2868 B9R0.2 CCSCCNCC(=O)O 269956a_100016091260_100000757381 [1,0,1,0,0,0|2,0,0]=4 2869 B9R0.2 CNCCCCCC(=O)N 2230a_106832991635_100009817443 [1,0,1,0,0,0|2,0,0]=4 2870 B9R0.2 CNCCCCCC(=O)N 34a_100102657272_100009817443 [1,0,1,0,0,0|2,0,0]=4 2871 B9R0.2 CNCCCCCC(=O)N 7a_106832991635_100009817443 [1,0,1,0,0,0|2,0,0]=4 2872 B9R0.2 COCCCCCC(=O)C 1458a_100011935119_200000210301 [1,0,1,0,0,0|2,0,0]=4 2873 B9R0.2 COCCCCCC(=O)N 34a_100000123541_200000210301 [1,0,1,0,0,0|2,0,0]=4 2874 B9R0.2 COCCCCCC(=O)N 34a_100138415774_100009817443 [1,0,1,0,0,0|2,0,0]=4 2875 B9R0.2 COCCCCCC(=O)N 7a_100000123541_200000210301 [1,0,1,0,0,0|2,0,0]=4 2876 B9R0.2 COCCCCCC(=O)[13CH3] 1458a_100011935119_200025704644 [1,0,1,0,0,0|2,0,0]=4 2877 B9R0.2 COCCCCCC(=O)[O-] 7a_100102619762_200000210301 [1,0,1,0,0,0|1,0,1]=4 2878 B9R0.2 COCCCNCC(=O)O 269956a_100016091260_100000740836 [1,0,1,0,0,0|2,0,0]=4 2879 B9R0.2 CSCCCCCC(=O)N 62a_100009817443_200000210301 [1,0,1,0,0,0|2,0,0]=4 2880 B9R0.2 CSCCCCCC(=O)N 62a_200000210301_100009817443 [1,0,1,0,0,0|2,0,0]=4 2881 B9R0.2 O=C(O)CNCCCCF 269956a_100016091260_100000729493 [1,0,1,0,0,0|2,0,0]=4 2882 B9R0.2 O=C(O)CNCCCCO 269956a_100016091260_100000210776 [1,0,1,0,0,0|2,0,0]=4 2883 B9R0.2 [13CH3]C(=O)CCCCCCO 1458a_100011996774_200025704644 [1,0,1,0,0,0|2,0,0]=4 2884 B9R0.2 [13CH3]OCCCCCC(=O)N 34a_100000123541_200025704644 [1,0,1,0,0,0|2,0,0]=4 2885 B9R0.2 [13CH3]OCCCCCC(=O)N 7a_100000123541_200025704644 [1,0,1,0,0,0|2,0,0]=4 2886 B9R0.2 [13CH3]OCCCCCC(=O)[O-] 7a_100102619762_200025704644 [1,0,1,0,0,0|1,0,1]=4 2887 B9R0.2 [13CH3]SCCCCCC(=O)N 62a_100009817443_200025704644 [1,0,1,0,0,0|2,0,0]=4 2888 B9R0.2 [13CH3]SCCCCCC(=O)N 62a_200025704644_100009817443 [1,0,1,0,0,0|2,0,0]=4 2889 B9R0.45 C=CCCCCCCNC 2230a_106832991635_100011215473 [1,0,1,0,0,0|2,0,0]=4 2890 B9R0.45 C=CCCCCCCNC 34a_100102657272_100011215473 [1,0,1,0,0,0|2,0,0]=4 2891 B9R0.45 C=CCCCCCCNC 7a_106832991635_100011215473 [1,0,1,0,0,0|2,0,0]=4 2892 B9R0.45 C=CCCCCCCOC 34a_100138415774_100011215473 [1,0,1,0,0,0|2,0,0]=4 2893 B9R0.45 C=CCCCCCCOC 34a_200011216477_200000210301 [1,0,1,0,0,0|2,0,0]=4 2894 B9R0.45 C=CCCCCCCOC 7a_200011216477_200000210301 [1,0,1,0,0,0|2,0,0]=4 2895 B9R0.45 C=CCCCCCCO[13CH3] 34a_200011216477_200025704644 [1,0,1,0,0,0|2,0,0]=4 2896 B9R0.45 C=CCCCCCCO[13CH3] 7a_200011216477_200025704644 [1,0,1,0,0,0|2,0,0]=4 2897 B9R0.45 C=CCCCCCCSC 62a_100011215473_200000210301 [1,0,1,0,0,0|2,0,0]=4 2898 B9R0.45 C=CCCCCCCSC 62a_200000210301_100011215473 [1,0,1,0,0,0|2,0,0]=4 2899 B9R0.45 C=CCCCCCCS[13CH3] 62a_100011215473_200025704644 [1,0,1,0,0,0|2,0,0]=4 2900 B9R0.45 C=CCCCCCCS[13CH3] 62a_200025704644_100011215473 [1,0,1,0,0,0|2,0,0]=4 2901 B9R0.45 C=CCCCCCNCC 2230a_100015525214_100000700193 [1,0,1,0,0,0|2,0,0]=4 2902 B9R0.45 C=CCCCCCOCC 34a_100011216702_100000210202 [1,0,1,0,0,0|2,0,0]=4 2903 B9R0.45 C=CCCCCCOCC 34a_100121572206_100000700193 [1,0,1,0,0,0|2,0,0]=4 2904 B9R0.45 C=CCCCCCOCC 7a_100011216702_100000210202 [1,0,1,0,0,0|2,0,0]=4 2905 B9R0.45 C=CCCCCCSCC 62a_100000210202_100000700193 [1,0,1,0,0,0|2,0,0]=4 2906 B9R0.45 C=CCCCCCSCC 62a_100000700193_100000210202 [1,0,1,0,0,0|2,0,0]=4 2907 B9R0.45 C=CCCCCNCCC 2230a_100000703577_100000210303 [1,0,1,0,0,0|2,0,0]=4 2908 B9R0.45 C=CCCCCNCCC 34a_100000703577_100000210303 [1,0,1,0,0,0|2,0,0]=4 2909 B9R0.45 C=CCCCCOCCC 34a_100000210258_100011215482 [1,0,1,0,0,0|2,0,0]=4 2910 B9R0.45 C=CCCCCOCCC 34a_100000766645_100000210303 [1,0,1,0,0,0|2,0,0]=4 2911 B9R0.45 C=CCCCCOCCC 7a_100000766645_100000210303 [1,0,1,0,0,0|2,0,0]=4 2912 B9R0.45 C=CCCCCSCCC 62a_100000210303_100011215482 [1,0,1,0,0,0|2,0,0]=4 2913 B9R0.45 C=CCCCCSCCC 62a_100011215482_100000210303 [1,0,1,0,0,0|2,0,0]=4 2914 B9R0.45 C=CCCCNCCCC 2230a_100000102301_100011713584 [1,0,1,0,0,0|2,0,0]=4 2915 B9R0.45 C=CCCCNCCCC 2230a_100000700776_100000210211 [1,0,1,0,0,0|2,0,0]=4 2916 B9R0.45 C=CCCCNCCCC 34a_100000700776_100000210210 [1,0,1,0,0,0|2,0,0]=4 2917 B9R0.45 C=CCCCNCCCC 7a_106832991798_100000757094 [1,0,1,0,0,0|2,0,0]=4 2918 B9R0.45 C=CCCCOCCCC 34a_100000210227_100000757094 [1,0,1,0,0,0|2,0,0]=4 2919 B9R0.45 C=CCCCOCCCC 34a_100000758997_100000210210 [1,0,1,0,0,0|2,0,0]=4 2920 B9R0.45 C=CCCCOCCCC 7a_100000210227_100000757094 [1,0,1,0,0,0|2,0,0]=4 2921 B9R0.45 C=CCCCOCCCC 7a_100000758997_100000210211 [1,0,1,0,0,0|2,0,0]=4 2922 B9R0.45 C=CCCCSCCCC 62a_100000210211_100000757094 [1,0,1,0,0,0|2,0,0]=4 2923 B9R0.45 C=CCCCSCCCC 62a_100011713584_100000210210 [1,0,1,0,0,0|2,0,0]=4 2924 B9R0.45 C=CCCNCCCCC 2230a_100000209983_100000754431 [1,0,1,0,0,0|2,0,0]=4 2925 B9R0.45 C=CCCNCCCCC 2230a_100015191253_100000210326 [1,0,1,0,0,0|2,0,0]=4 2926 B9R0.45 C=CCCOCCCCC 34a_100000210253_100000754431 [1,0,1,0,0,0|2,0,0]=4 2927 B9R0.45 C=CCCOCCCCC 34a_100011205117_100000718602 [1,0,1,0,0,0|2,0,0]=4 2928 B9R0.45 C=CCCOCCCCC 7a_100000210253_100000754431 [1,0,1,0,0,0|2,0,0]=4 2929 B9R0.45 C=CCCSCCCCC 62a_100000210326_100000754431 [1,0,1,0,0,0|2,0,0]=4 2930 B9R0.45 C=CCCSCCCCC 62a_100000754431_100000210326 [1,0,1,0,0,0|2,0,0]=4 2931 B9R0.45 C=CCNCCCCCC 2230a_100000210581_100000210623 [1,0,1,0,0,0|2,0,0]=4 2932 B9R0.45 C=CCNCCCCCC 2230a_100020586998_100000210314 [1,0,1,0,0,0|2,0,0]=4 2933 B9R0.45 C=CCOCCCCCC 34a_100000210259_100015514636 [1,0,1,0,0,0|2,0,0]=4 2934 B9R0.45 C=CCOCCCCCC 34a_200000210373_100000210314 [1,0,1,0,0,0|2,0,0]=4 2935 B9R0.45 C=CCOCCCCCC 7a_100000210259_100015514636 [1,0,1,0,0,0|2,0,0]=4 2936 B9R0.45 C=CCSCCCCCC 62a_100000210314_100000210623 [1,0,1,0,0,0|2,0,0]=4 2937 B9R0.45 C=CCSCCCCCC 62a_100000210623_100000210757 [1,0,1,0,0,0|2,0,0]=4 2938 B9R0.45 CCCCCCCCNC 2230a_100000229939_200000210301 [1,0,1,0,0,0|2,0,0]=4 2939 B9R0.45 CCCCCCCCNC 2230a_106832991635_100000210759 [1,0,1,0,0,0|2,0,0]=4 2940 B9R0.45 CCCCCCCCNC 34a_100000229939_200000210301 [1,0,1,0,0,0|2,0,0]=4 2941 B9R0.45 CCCCCCCCNC 34a_100102657272_100000210759 [1,0,1,0,0,0|2,0,0]=4 2942 B9R0.45 CCCCCCCCNC 7a_106832991635_100000210759 [1,0,1,0,0,0|2,0,0]=4 2943 B9R0.45 CCCCCCCCN[13CH3] 2230a_100000229939_200025704644 [1,0,1,0,0,0|2,0,0]=4 2944 B9R0.45 CCCCCCCCN[13CH3] 34a_100000229939_200025704644 [1,0,1,0,0,0|2,0,0]=4 2945 B9R0.45 CCCCCCCCOC 34a_100000210232_200000210301 [1,0,1,0,0,0|2,0,0]=4 2946 B9R0.45 CCCCCCCCOC 34a_100138415774_100000210759 [1,0,1,0,0,0|2,0,0]=4 2947 B9R0.45 CCCCCCCCOC 7a_100000210232_200000210301 [1,0,1,0,0,0|2,0,0]=4 2948 B9R0.45 CCCCCCCCO[13CH3] 34a_100000210232_200025704644 [1,0,1,0,0,0|2,0,0]=4 2949 B9R0.45 CCCCCCCCO[13CH3] 7a_100000210232_200025704644 [1,0,1,0,0,0|2,0,0]=4 2950 B9R0.45 CCCCCCCCSC 62a_100000210759_200000210301 [1,0,1,0,0,0|2,0,0]=4 2951 B9R0.45 CCCCCCCCSC 62a_200000210301_100000210317 [1,0,1,0,0,0|2,0,0]=4 2952 B9R0.45 CCCCCCCCS[13CH3] 62a_100000210759_200025704644 [1,0,1,0,0,0|2,0,0]=4 2953 B9R0.45 CCCCCCCCS[13CH3] 62a_200025704644_100000210317 [1,0,1,0,0,0|2,0,0]=4 2954 B9R0.45 CCCCCCNCC=O 2230a_100000210581_200015260668 [1,0,1,0,0,0|1,0,0]=3 2955 B9R0.45 CCCCCCNCCO 2230a_100000210581_100000211926 [1,0,1,0,0,0|1,0,1]=4 2956 B9R0.45 CCCCCCNCCO 2230a_100016997473_100000210314 [1,0,1,0,0,0|1,0,1]=4 2957 B9R0.45 CCCCCCNCCO 34a_100016990907_100000210314 [1,0,1,0,0,0|1,0,1]=4 2958 B9R0.45 CCCCCCOCC=O 34a_100000210259_200009817547 [1,0,1,0,0,0|1,0,0]=3 2959 B9R0.45 CCCCCCOCC=O 7a_100000210259_200015260668 [1,0,1,0,0,0|1,0,0]=3 2960 B9R0.45 CCCCCCOCCO 34a_100000210259_100000211926 [1,0,1,0,0,0|1,0,1]=4 2961 B9R0.45 CCCCCCOCCO 7a_100000210259_100000211926 [1,0,1,0,0,0|1,0,1]=4 2962 B9R0.45 CCCCCCSCC=O 62a_100000210314_200015260668 [1,0,1,0,0,0|1,0,0]=3 2963 B9R0.45 CCCCCCSCC=O 62a_200015260668_100000210757 [1,0,1,0,0,0|1,0,0]=3 2964 B9R0.45 CCCCCCSCCO 62a_100000210314_100000211926 [1,0,1,0,0,0|1,0,1]=4 2965 B9R0.45 CCCCCCSCCO 62a_100000211926_100000210757 [1,0,1,0,0,0|1,0,1]=4 2966 B9R0.45 CCCCCNCCCO 2230a_100000209983_100000230001 [1,0,1,0,0,0|1,0,1]=4 2967 B9R0.45 CCCCCOCCCO 34a_100000210253_100000230001 [1,0,1,0,0,0|1,0,1]=4 2968 B9R0.45 CCCCCOCCCO 7a_100000210253_100011215043 [1,0,1,0,0,0|1,0,1]=4 2969 B9R0.45 CCCCCSCCCO 62a_100000210326_100011215043 [1,0,1,0,0,0|1,0,1]=4 2970 B9R0.45 CCCCCSCCCO 62a_100011215043_100000210326 [1,0,1,0,0,0|1,0,1]=4 2971 B9R0.45 CCCCNCCCC=O 2230a_100000102301_200011292268 [1,0,1,0,0,0|1,0,0]=3 2972 B9R0.45 CCCCNCCCC=O 7a_106832991798_200011292268 [1,0,1,0,0,0|1,0,0]=3 2973 B9R0.45 CCCCNCCCCO 2230a_100000102301_100000210776 [1,0,1,0,0,0|1,0,1]=4 2974 B9R0.45 CCCCNCCCCO 2230a_100000750430_100000210211 [1,0,1,0,0,0|1,0,1]=4 2975 B9R0.45 CCCCNCCCCO 34a_100000750430_100000210210 [1,0,1,0,0,0|1,0,1]=4 2976 B9R0.45 CCCCNCCCCO 7a_106832991798_100000210776 [1,0,1,0,0,0|1,0,1]=4 2977 B9R0.45 CCCCOCCCC=O 7a_100000210227_200011292268 [1,0,1,0,0,0|1,0,0]=3 2978 B9R0.45 CCCCOCCCCO 34a_100000210227_100011216708 [1,0,1,0,0,0|1,0,1]=4 2979 B9R0.45 CCCCOCCCCO 7a_100000210227_100000210776 [1,0,1,0,0,0|1,0,1]=4 2980 B9R0.45 CCCCOCSCC=O 62a_100011995733_200015260668 [1,0,1,0,0,0|2,0,0]=4 2981 B9R0.45 CCCCOCSCC=O 62a_200015260668_100011995733 [1,0,1,0,0,0|2,0,0]=4 2982 B9R0.45 CCCCSCCCC=O 62a_100000210211_200011292268 [1,0,1,0,0,0|1,0,0]=3 2983 B9R0.45 CCCCSCCCC=O 62a_200011292268_100000210210 [1,0,1,0,0,0|1,0,0]=3 2984 B9R0.45 CCCCSCCCCO 62a_100000210211_100000210776 [1,0,1,0,0,0|1,0,1]=4 2985 B9R0.45 CCCCSCCCCO 62a_100000210776_100000210210 [1,0,1,0,0,0|1,0,1]=4 2986 B9R0.45 CCCNCCCCCO 2230a_100000762737_100000210303 [1,0,1,0,0,0|1,0,1]=4 2987 B9R0.45 CCCNCCCCCO 34a_100000762737_100000210303 [1,0,1,0,0,0|1,0,1]=4 2988 B9R0.45 CCCOCCCCCO 34a_100000210258_100000746330 [1,0,1,0,0,0|1,0,1]=4 2989 B9R0.45 CCCOCCNCC=O 2230a_100161115042_200015260668 [1,0,1,0,0,0|2,0,0]=4 2990 B9R0.45 CCCOCCNCC=O 34a_100161115042_200009817547 [1,0,1,0,0,0|2,0,0]=4 2991 B9R0.45 CCCOCCOCC=O 34a_100000752267_200009817547 [1,0,1,0,0,0|2,0,0]=4 2992 B9R0.45 CCCOCCOCC=O 7a_100000752267_200015260668 [1,0,1,0,0,0|2,0,0]=4 2993 B9R0.45 CCCOCCSCC=O 62a_100011215938_200015260668 [1,0,1,0,0,0|2,0,0]=4 2994 B9R0.45 CCCOCCSCC=O 62a_200015260668_100011215938 [1,0,1,0,0,0|2,0,0]=4 2995 B9R0.45 CCCSCCCCC=O 62a_100000139335_100000210303 [1,0,1,0,0,0|1,0,0]=3 2996 B9R0.45 CCCSCCCCC=O 62a_100000210303_100000139335 [1,0,1,0,0,0|1,0,0]=3 2997 B9R0.45 CCCSCCCCCO 62a_100000210303_100000746330 [1,0,1,0,0,0|1,0,1]=4 2998 B9R0.45 CCCSCCCCCO 62a_100000746330_100000210303 [1,0,1,0,0,0|1,0,1]=4 2999 B9R0.45 CCCSCCNCC=O 2230a_100020603323_200015260668 [1,0,1,0,0,0|2,0,0]=4 3000 B9R0.45 CCCSCCOCC=O 34a_200000230433_200009817547 [1,0,1,0,0,0|2,0,0]=4 3001 B9R0.45 CCCSCCOCC=O 7a_200000230433_200015260668 [1,0,1,0,0,0|2,0,0]=4 3002 B9R0.45 CCNCCCCCC=O 2230a_100015525214_100000139337 [1,0,1,0,0,0|1,0,0]=3 3003 B9R0.45 CCNCCCCCCO 2230a_100000686447_100000210202 [1,0,1,0,0,0|1,0,1]=4 3004 B9R0.45 CCNCCCCCCO 2230a_100015525214_100000766143 [1,0,1,0,0,0|1,0,1]=4 3005 B9R0.45 CCNCCCCCCO 34a_100000686447_100000210202 [1,0,1,0,0,0|1,0,1]=4 3006 B9R0.45 CCOCCCCCCO 34a_100121572206_100000766143 [1,0,1,0,0,0|1,0,1]=4 3007 B9R0.45 CCOCCCNCC=O 2230a_100000210961_200015260668 [1,0,1,0,0,0|2,0,0]=4 3008 B9R0.45 CCOCCCNCC=O 34a_100000210961_200009817547 [1,0,1,0,0,0|2,0,0]=4 3009 B9R0.45 CCOCCCOCC=O 34a_100000757476_200009817547 [1,0,1,0,0,0|2,0,0]=4 3010 B9R0.45 CCOCCCOCC=O 7a_100000757476_200015260668 [1,0,1,0,0,0|2,0,0]=4 3011 B9R0.45 CCOCCCSCC=O 62a_100012232248_200015260668 [1,0,1,0,0,0|2,0,0]=4 3012 B9R0.45 CCOCCCSCC=O 62a_200015260668_100012232248 [1,0,1,0,0,0|2,0,0]=4 3013 B9R0.45 CCOCSCCCC=O 62a_100000739092_200011292268 [1,0,1,0,0,0|2,0,0]=4 3014 B9R0.45 CCOCSCCCC=O 62a_200011292268_100000739092 [1,0,1,0,0,0|2,0,0]=4 3015 B9R0.45 CCSCCCCCC=O 62a_100000139337_100000210202 [1,0,1,0,0,0|1,0,0]=3 3016 B9R0.45 CCSCCCCCC=O 62a_100000210202_100000139337 [1,0,1,0,0,0|1,0,0]=3 3017 B9R0.45 CCSCCCCCCO 62a_100000210202_100000766143 [1,0,1,0,0,0|1,0,1]=4 3018 B9R0.45 CCSCCCCCCO 62a_100000766143_100000210202 [1,0,1,0,0,0|1,0,1]=4 3019 B9R0.45 CCSCCCOCC=O 34a_100011216438_200009817547 [1,0,1,0,0,0|2,0,0]=4 3020 B9R0.45 CCSCCCOCC=O 7a_100011216438_200015260668 [1,0,1,0,0,0|2,0,0]=4 3021 B9R0.45 CNCCCCCCCO 2230a_100011996573_200000210301 [1,0,1,0,0,0|1,0,1]=4 3022 B9R0.45 CNCCCCCCCO 2230a_106832991635_100000760002 [1,0,1,0,0,0|1,0,1]=4 3023 B9R0.45 CNCCCCCCCO 34a_100011996573_200000210301 [1,0,1,0,0,0|1,0,1]=4 3024 B9R0.45 CNCCCCCCCO 34a_100102657272_100000760002 [1,0,1,0,0,0|1,0,1]=4 3025 B9R0.45 CNCCCCCCCO 7a_106832991635_100000760002 [1,0,1,0,0,0|1,0,1]=4 3026 B9R0.45 COCCCCCCCO 34a_100138415774_100000760002 [1,0,1,0,0,0|1,0,1]=4 3027 B9R0.45 COCCCCOCC=O 34a_100000740925_200009817547 [1,0,1,0,0,0|2,0,0]=4 3028 B9R0.45 COCCCCSCC=O 62a_100000730899_200015260668 [1,0,1,0,0,0|2,0,0]=4 3029 B9R0.45 COCCCCSCC=O 62a_200015260668_100000730899 [1,0,1,0,0,0|2,0,0]=4 3030 B9R0.45 COCCNCCCC=O 2230a_100000209980_200011292268 [1,0,1,0,0,0|2,0,0]=4 3031 B9R0.45 COCCSCCCC=O 62a_100000233755_200011292268 [1,0,1,0,0,0|2,0,0]=4 3032 B9R0.45 COCCSCCCC=O 62a_200011292268_100000233755 [1,0,1,0,0,0|2,0,0]=4 3033 B9R0.45 COCSCCCCC=O 62a_100000139335_100000766300 [1,0,1,0,0,0|2,0,0]=4 3034 B9R0.45 COCSCCCCC=O 62a_100000766300_100000139335 [1,0,1,0,0,0|2,0,0]=4 3035 B9R0.45 CSCCCCCCCO 62a_100000760002_200000210301 [1,0,1,0,0,0|1,0,1]=4 3036 B9R0.45 CSCCCCCCCO 62a_200000210301_100000760002 [1,0,1,0,0,0|1,0,1]=4 3037 B9R0.45 CSCCCCOCC=O 34a_100011217163_200009817547 [1,0,1,0,0,0|2,0,0]=4 3038 B9R0.45 CSCCCCOCC=O 7a_100011217163_200015260668 [1,0,1,0,0,0|2,0,0]=4 3039 B9R0.45 CSCCNCCCC=O 2230a_100020590264_200011292268 [1,0,1,0,0,0|2,0,0]=4 3040 B9R0.45 CSCCOCCCC=O 7a_100000230434_200011292268 [1,0,1,0,0,0|2,0,0]=4 3041 B9R0.45 CSCCSCCCC=O 62a_100000212216_200011292268 [1,0,1,0,0,0|2,0,0]=4 3042 B9R0.45 CSCCSCCCC=O 62a_200011292268_100000751147 [1,0,1,0,0,0|2,0,0]=4 3043 B9R0.45 CSCSCCCCC=O 62a_100000139335_100011218213 [1,0,1,0,0,0|2,0,0]=4 3044 B9R0.45 CSCSCCCCC=O 62a_100011218213_100000139335 [1,0,1,0,0,0|2,0,0]=4 3045 B9R0.45 NCCCCCOCC=O 34a_100000762737_200009817547 [1,0,1,0,0,0|2,0,0]=4 3046 B9R0.45 O=CCCCCCSCF 62a_100000139337_100015361967 [1,0,1,0,0,0|2,0,0]=4 3047 B9R0.45 O=CCCCCCSCF 62a_100015361967_100000139337 [1,0,1,0,0,0|2,0,0]=4 3048 B9R0.45 O=CCCCCNCCO 2230a_100016997473_100000139335 [1,0,1,0,0,0|2,0,0]=4 3049 B9R0.45 O=CCCCCSCCF 62a_100000139335_100011217306 [1,0,1,0,0,0|2,0,0]=4 3050 B9R0.45 O=CCCCCSCCF 62a_100011217306_100000139335 [1,0,1,0,0,0|2,0,0]=4 3051 B9R0.45 O=CCCCCSCCO 62a_100000139335_100000211926 [1,0,1,0,0,0|2,0,0]=4 3052 B9R0.45 O=CCCCCSCCO 62a_100000211926_100000139335 [1,0,1,0,0,0|2,0,0]=4 3053 B9R0.45 O=CCCCNCCCF 2230a_100015189416_200011292268 [1,0,1,0,0,0|2,0,0]=4 3054 B9R0.45 O=CCCCSCCCF 62a_100011934791_200011292268 [1,0,1,0,0,0|2,0,0]=4 3055 B9R0.45 O=CCCCSCCCF 62a_200011292268_100011934791 [1,0,1,0,0,0|2,0,0]=4 3056 B9R0.45 O=CCCCSCCCO 62a_100011215043_200011292268 [1,0,1,0,0,0|2,0,0]=4 3057 B9R0.45 O=CCCCSCCCO 62a_200011292268_100011215043 [1,0,1,0,0,0|2,0,0]=4 3058 B9R0.45 O=CCNCCCCCO 2230a_100000762737_200015260668 [1,0,1,0,0,0|2,0,0]=4 3059 B9R0.45 O=CCNCCCCCO 34a_100000762737_200009817547 [1,0,1,0,0,0|2,0,0]=4 3060 B9R0.45 O=CCOCCCCCBr 34a_100000746331_200009817547 [1,0,1,0,0,0|2,0,0]=4 3061 B9R0.45 O=CCOCCCCCBr 7a_100000746331_200015260668 [1,0,1,0,0,0|2,0,0]=4 3062 B9R0.45 O=CCOCCCCCCl 34a_100000746330_200009817547 [1,0,1,0,0,0|2,0,0]=4 3063 B9R0.45 O=CCOCCCCCCl 7a_100000746330_200015260668 [1,0,1,0,0,0|2,0,0]=4 3064 B9R0.45 O=CCOCCCCCI 34a_200012148887_200009817547 [1,0,1,0,0,0|2,0,0]=4 3065 B9R0.45 O=CCOCCCCCI 7a_200012148887_200015260668 [1,0,1,0,0,0|2,0,0]=4 3066 B9R0.45 O=CCSCCCCCF 62a_100000729378_200015260668 [1,0,1,0,0,0|2,0,0]=4 3067 B9R0.45 O=CCSCCCCCF 62a_200015260668_100000729378 [1,0,1,0,0,0|2,0,0]=4 3068 B9R0.45 O=CCSCCCCCO 62a_100000746330_200015260668 [1,0,1,0,0,0|2,0,0]=4 3069 B9R0.45 O=CCSCCCCCO 62a_200015260668_100000746330 [1,0,1,0,0,0|2,0,0]=4 3070 B9R0.45 [13CH3]NCCCCCCCO 2230a_100011996573_200025704644 [1,0,1,0,0,0|1,0,1]=4 3071 B9R0.45 [13CH3]NCCCCCCCO 34a_100011996573_200025704644 [1,0,1,0,0,0|1,0,1]=4 3072 B9R0.45 [13CH3]SCCCCCCCO 62a_100000760002_200025704644 [1,0,1,0,0,0|1,0,1]=4 3073 B9R0.45 [13CH3]SCCCCCCCO 62a_200025704644_100000760002 [1,0,1,0,0,0|1,0,1]=4 3074 B9R0.40 C=CCCN(CC)CCC 2230a_100000226822_100000754431 [1,0,1,0,0,0|2,0,0]=4 3075 B9R0.40 C=CCCN(CC)CCC 269982a_100000226822_100000754431 [1,0,1,0,0,0|2,0,0]=4 3076 B9R0.40 C=CCNC(CC)CCC 2230a_100000747048_100000210623 [1,0,1,0,0,0|2,0,0]=4 3077 B9R0.40 C=CCNC(CC)CCC 270004a_100020586998_100000687865 [1,0,1,0,0,0|2,0,0]=4 3078 B9R0.40 C=CCOC(CC)CCC 34a_100000687864_100015514636 [1,0,1,0,0,0|2,0,0]=4 3079 B9R0.40 C=CCOC(CC)CCC 7a_100000687864_100015514636 [1,0,1,0,0,0|2,0,0]=4 3080 B9R0.40 C=CCSC(CC)CCC 62a_100000210623_100011219200 [1,0,1,0,0,0|2,0,0]=4 3081 B9R0.40 C=CCSC(CC)CCC 62a_100011219200_100000210623 [1,0,1,0,0,0|2,0,0]=4 3082 B9R0.40 CCC(COC)NCC=O 2230a_100000757820_200015260668 [1,0,1,0,0,0|2,0,0]=4 3083 B9R0.40 CCC(COC)OCC=O 7a_200011214946_200015260668 [1,0,1,0,0,0|2,0,0]=4 3084 B9R0.40 CCCC(CC)NCC=O 2230a_100000747048_200015260668 [1,0,1,0,0,0|1,0,0]=3 3085 B9R0.40 CCCC(CC)NCCO 2230a_100000747048_100000211926 [1,0,1,0,0,0|1,0,1]=4 3086 B9R0.40 CCCC(CC)NCCO 270004a_100000210304_100000687865 [1,0,1,0,0,0|1,0,1]=4 3087 B9R0.40 CCCC(CC)OCC=O 34a_100000687864_200009817547 [1,0,1,0,0,0|1,0,0]=3 3088 B9R0.40 CCCC(CC)OCC=O 7a_100000687864_200015260668 [1,0,1,0,0,0|1,0,0]=3 3089 B9R0.40 CCCC(CC)OCCO 34a_100000687864_100000211926 [1,0,1,0,0,0|1,0,1]=4 3090 B9R0.40 CCCC(CC)OCCO 7a_100000687864_100000211926 [1,0,1,0,0,0|1,0,1]=4 3091 B9R0.40 CCCC(CC)SCC=O 62a_100011219200_200015260668 [1,0,1,0,0,0|1,0,0]=3 3092 B9R0.40 CCCC(CC)SCC=O 62a_200015260668_100011219200 [1,0,1,0,0,0|1,0,0]=3 3093 B9R0.40 CCCC(CC)SCCO 62a_100000211926_100011219200 [1,0,1,0,0,0|1,0,1]=4 3094 B9R0.40 CCCC(CC)SCCO 62a_100011219200_100000211926 [1,0,1,0,0,0|1,0,1]=4 3095 B9R0.40 CCCN(CC)CCCO 2230a_100000226822_100000230001 [1,0,1,0,0,0|1,0,1]=4 3096 B9R0.40 CCCN(CC)CCCO 269982a_100000226822_100011215043 [1,0,1,0,0,0|1,0,1]=4 3097 B9R0.40 CCC[C@@H](CO)NCC=O 2230a_100000732646_200015260668 [1,0,1,0,0,0|2,0,0]=4 3098 B9R0.40 CCC[C@@H](CO)NCC=O 34a_100000732646_200009817547 [1,0,1,0,0,0|2,0,0]=4 3099 B9R0.43 CCC(CC)CNC(=O)C 11a_100102946423_100015343762 [1,0,1,0,0,0|2,0,0]=4 3100 B9R0.43 CCC(CC)CNC(=O)C 1626a_100102946423_100015343762 [1,0,1,0,0,0|2,0,0]=4 3101 B9R0.43 CCC(CC)CNC(=O)C 240690a_100102946423_100015343762 [1,0,1,0,0,0|2,0,0]=4 3102 B9R0.43 CCC(CC)CNC(=O)C 527a_100102946423_100103153847 [1,0,1,0,0,0|2,0,0]=4 3103 B9R0.43 CCC(CC)NCC(=O)N 2230a_100000199018_100000747473 [1,0,1,0,0,0|2,0,0]=4 3104 B9R0.43 CCC(CC)NCC(=O)O 269956a_100016091260_100000210505 [1,0,1,0,0,0|1,0,0]=3 3105 B9R0.43 CCC(CC)OCC(=O)C 1458a_100012002705_200000210301 [1,0,1,0,0,0|2,0,0]=4 3106 B9R0.43 CCC(CC)OCC(=O)N 7a_100000688536_100000187820 [1,0,1,0,0,0|2,0,0]=4 3107 B9R0.43 CCC(CC)OCC(=O)[13CH3] 1458a_100012002705_200025704644 [1,0,1,0,0,0|2,0,0]=4 3108 B9R0.43 CCC(CC)SCC(=O)N 62a_100000210505_100000747473 [1,0,1,0,0,0|2,0,0]=4 3109 B9R0.43 CCC(CC)SCC(=O)N 62a_100000747473_100000210505 [1,0,1,0,0,0|2,0,0]=4 3110 B9R0.43 CCC(CC)SCC(=O)[O-] 62a_100000210505_100020667443 [1,0,1,0,0,0|1,0,1]=4 3111 B9R0.43 CCC(CC)SCC(=O)[O-] 62a_100020667443_100000210505 [1,0,1,0,0,0|1,0,1]=4 3112 B9R0.43 CCN(CC)CCC(=O)C 1458a_100000070787_100000700428 [1,0,1,0,0,0|2,0,0]=4 3113 B9R0.43 CCN(CC)CCC(=O)C 1458a_100000750416_200000210301 [1,0,1,0,0,0|2,0,0]=4 3114 B9R0.43 CCN(CC)CCC(=O)C 269956a_100000042499_100000053229 [1,0,1,0,0,0|2,0,0]=4 3115 B9R0.43 CCN(CC)CCC(=O)C 269982a_100000724800_100000053229 [1,0,1,0,0,0|2,0,0]=4 3116 B9R0.43 CCN(CC)CCC(=O)N 2230a_100000724800_100000744528 [1,0,1,0,0,0|2,0,0]=4 3117 B9R0.43 CCN(CC)CCC(=O)N 2230a_100020645749_100000210202 [1,0,1,0,0,0|2,0,0]=4 3118 B9R0.43 CCN(CC)CCC(=O)N 269956a_100000042499_100000744528 [1,0,1,0,0,0|2,0,0]=4 3119 B9R0.43 CCN(CC)CCC(=O)N 269982a_100000724800_100000744528 [1,0,1,0,0,0|2,0,0]=4 3120 B9R0.43 CCN(CC)CCC(=O)[13CH3] 1458a_100000750416_200025704644 [1,0,1,0,0,0|2,0,0]=4 3121 B9R0.48 CC(CCO)NCC(=O)O 269956a_100016091260_100009893172 [1,0,1,0,0,0|2,0,0]=4 3122 B9R0.48 CCCC(C)NCC(=O)N 2230a_100000711301_100000766640 [1,0,1,0,0,0|2,0,0]=4 3123 B9R0.48 CCCC(C)NCC(=O)N 2230a_100000741246_100000747473 [1,0,1,0,0,0|2,0,0]=4 3124 B9R0.48 CCCC(C)NCC(=O)O 269956a_100016091260_100000766640 [1,0,1,0,0,0|1,0,0]=3 3125 B9R0.48 CCCC(C)OCC(=O)C 34a_100000211253_100000766640 [1,0,1,0,0,0|2,0,0]=4 3126 B9R0.48 CCCC(C)OCC(=O)N 34a_100000764384_100000187820 [1,0,1,0,0,0|2,0,0]=4 3127 B9R0.48 CCCC(C)OCC(=O)N 7a_100000764384_100000187820 [1,0,1,0,0,0|2,0,0]=4 3128 B9R0.48 CCCC(C)OCC(=O)[O-] 34a_100000764384_100020667443 [1,0,1,0,0,0|1,0,1]=4 3129 B9R0.48 CCCC(C)SCC(=O)N 62a_100000747473_100000766640 [1,0,1,0,0,0|2,0,0]=4 3130 B9R0.48 CCCC(C)SCC(=O)N 62a_100000766640_100000747473 [1,0,1,0,0,0|2,0,0]=4 3131 B9R0.48 CCCC(C)SCC(=O)[O-] 62a_100000766640_100020667443 [1,0,1,0,0,0|1,0,1]=4 3132 B9R0.48 CCCC(C)SCC(=O)[O-] 62a_100020667443_100000766640 [1,0,1,0,0,0|1,0,1]=4 3133 B9R0.48 CCCN(C)CCC(=O)C 269982a_100000747261_100000053229 [1,0,1,0,0,0|2,0,0]=4 3134 B9R0.48 CCCN(C)CCC(=O)N 2230a_100000730477_100000210303 [1,0,1,0,0,0|2,0,0]=4 3135 B9R0.48 CCCN(C)CCC(=O)N 2230a_100000747261_100000744528 [1,0,1,0,0,0|2,0,0]=4 3136 B9R0.48 CCCN(C)CCC(=O)N 269982a_100000747261_100000744528 [1,0,1,0,0,0|2,0,0]=4 3137 B9R0.48 COCC(C)NCC(=O)O 269956a_100016091260_100000765312 [1,0,1,0,0,0|2,0,0]=4 3138 B9R0.18 C=CCCC(C)NCCC 270004a_100020643023_100000762624 [1,0,1,0,0,0|2,0,0]=4 3139 B9R0.18 C=CCCC(C)OCCC 34a_100000765329_100000210303 [1,0,1,0,0,0|2,0,0]=4 3140 B9R0.18 C=CCCC(C)OCCC 7a_100000765329_100000210303 [1,0,1,0,0,0|2,0,0]=4 3141 B9R0.18 C=CCCN(C)CCCC 2230a_100000207549_100000754431 [1,0,1,0,0,0|2,0,0]=4 3142 B9R0.18 C=CCCN(C)CCCC 2230a_100020639649_100000210211 [1,0,1,0,0,0|2,0,0]=4 3143 B9R0.18 C=CCCN(C)CCCC 269982a_100000207549_100000754431 [1,0,1,0,0,0|2,0,0]=4 3144 B9R0.18 C=CCCN(C)CCCC 269982a_100020639649_100000210211 [1,0,1,0,0,0|2,0,0]=4 3145 B9R0.18 C=CCNC(C)CCCC 2230a_100000126638_100000210623 [1,0,1,0,0,0|2,0,0]=4 3146 B9R0.18 C=CCNC(C)CCCC 2230a_100020586998_200011215066 [1,0,1,0,0,0|2,0,0]=4 3147 B9R0.18 C=CCNC(C)CCCC 270004a_100020586998_100000210087 [1,0,1,0,0,0|2,0,0]=4 3148 B9R0.18 C=CCOC(C)CCCC 34a_100000687866_100015514636 [1,0,1,0,0,0|2,0,0]=4 3149 B9R0.18 C=CCOC(C)CCCC 34a_200000210373_200011215066 [1,0,1,0,0,0|2,0,0]=4 3150 B9R0.18 C=CCOC(C)CCCC 7a_100000687866_100015514636 [1,0,1,0,0,0|2,0,0]=4 3151 B9R0.18 C=CCSC(C)CCCC 62a_100000210623_200011215066 [1,0,1,0,0,0|2,0,0]=4 3152 B9R0.18 C=CCSC(C)CCCC 62a_200011215066_100000210623 [1,0,1,0,0,0|2,0,0]=4 3153 B9R0.18 CC(CCCCl)OCC=O 34a_200000718107_200009817547 [1,0,1,0,0,0|2,0,0]=4 3154 B9R0.18 CC(CCCCl)OCC=O 7a_200000718107_200015260668 [1,0,1,0,0,0|2,0,0]=4 3155 B9R0.18 CCCCC(C)NCC=O 2230a_100000126638_200015260668 [1,0,1,0,0,0|1,0,0]=3 3156 B9R0.18 CCCCC(C)NCCO 2230a_100000126638_100000211926 [1,0,1,0,0,0|1,0,1]=4 3157 B9R0.18 CCCCC(C)NCCO 2230a_100016997473_200011215066 [1,0,1,0,0,0|1,0,1]=4 3158 B9R0.18 CCCCC(C)NCCO 270004a_100000210304_100000210087 [1,0,1,0,0,0|1,0,1]=4 3159 B9R0.18 CCCCC(C)NCCO 34a_100016990907_200011215066 [1,0,1,0,0,0|1,0,1]=4 3160 B9R0.18 CCCCC(C)OCC=O 34a_100000687866_200009817547 [1,0,1,0,0,0|1,0,0]=3 3161 B9R0.18 CCCCC(C)OCC=O 7a_100000687866_200015260668 [1,0,1,0,0,0|1,0,0]=3 3162 B9R0.18 CCCCC(C)OCCO 34a_100000687866_100000211926 [1,0,1,0,0,0|1,0,1]=4 3163 B9R0.18 CCCCC(C)OCCO 7a_100000687866_100000211926 [1,0,1,0,0,0|1,0,1]=4 3164 B9R0.18 CCCCC(C)SCC=O 62a_200011215066_200015260668 [1,0,1,0,0,0|1,0,0]=3 3165 B9R0.18 CCCCC(C)SCC=O 62a_200015260668_200011215066 [1,0,1,0,0,0|1,0,0]=3 3166 B9R0.18 CCCCC(C)SCCO 62a_100000211926_200011215066 [1,0,1,0,0,0|1,0,1]=4 3167 B9R0.18 CCCCC(C)SCCO 62a_200011215066_100000211926 [1,0,1,0,0,0|1,0,1]=4 3168 B9R0.18 CCCCN(C)CCCO 2230a_100000207549_100000230001 [1,0,1,0,0,0|1,0,1]=4 3169 B9R0.18 CCCCN(C)CCCO 2230a_100000213112_100000210211 [1,0,1,0,0,0|1,0,1]=4 3170 B9R0.18 CCCCN(C)CCCO 269982a_100000207549_100011215043 [1,0,1,0,0,0|1,0,1]=4 3171 B9R0.18 CCCCN(C)CCCO 269982a_100000213112_100000210211 [1,0,1,0,0,0|1,0,1]=4 3172 B9R0.18 CCNC[C@H](C)CCCO 2230a_100160569302_100000210202 [1,0,1,0,0,0|1,0,1]=4 3173 B9R0.18 CCNC[C@H](C)CCCO 34a_100160569302_100000210202 [1,0,1,0,0,0|1,0,1]=4 3174 B9R0.18 CCOCC(C)OCC=O 34a_100000718985_200009817547 [1,0,1,0,0,0|2,0,0]=4 3175 B9R0.18 CCOCC(C)OCC=O 7a_100000718985_200015260668 [1,0,1,0,0,0|2,0,0]=4 3176 B9R1.8 CCNC1CCCCC1 2230a_100000182618_100000210202 [2,0,0,0,0,0|1,0,1]=4 3177 B9R1.8 CCNC1CCCCC1 270004a_100015525214_100000210434 [2,0,0,0,0,0|1,0,1]=4 3178 B9R1.8 CCNC1CCCCC1 34a_100000182618_100000210202 [2,0,0,0,0,0|1,0,1]=4 3179 B9R1.8 CCOC1CCCCC1 34a_100000210231_100000210202 [2,0,0,0,0,0|1,0,1]=4 3180 B9R1.8 CCOC1CCCCC1 34a_100121572206_100000210327 [2,0,0,0,0,0|1,0,1]=4 3181 B9R1.8 CCOC1CCCCC1 7a_100000210231_100000210202 [2,0,0,0,0,0|1,0,1]=4 3182 B9R1.8 CCSC1CCCCC1 62a_100000210202_100000210327 [2,0,0,0,0,0|1,0,1]=4 3183 B9R1.8 CCSC1CCCCC1 62a_100000210327_100000210202 [2,0,0,0,0,0|1,0,1]=4 3184 B9R1.8 CNCC1CCCCC1 2230a_100000210473_200000210301 [2,0,0,0,0,0|1,0,1]=4 3185 B9R1.8 CNCC1CCCCC1 2230a_106832991635_100000211423 [2,0,0,0,0,0|1,0,1]=4 3186 B9R1.8 CNCC1CCCCC1 269862a_106832991636_100000211278 [2,0,0,0,0,0|1,0,1]=4 3187 B9R1.8 CNCC1CCCCC1 34a_100000210473_200000210301 [2,0,0,0,0,0|1,0,1]=4 3188 B9R1.8 CNCC1CCCCC1 34a_100102657272_100000211423 [2,0,0,0,0,0|1,0,1]=4 3189 B9R1.8 CNCC1CCCCC1 7a_106832991635_100000211423 [2,0,0,0,0,0|1,0,1]=4 3190 B9R1.8 COCC1CCCCC1 34a_100000212181_200000210301 [2,0,0,0,0,0|1,0,1]=4 3191 B9R1.8 COCC1CCCCC1 34a_100138415774_100000211423 [2,0,0,0,0,0|1,0,1]=4 3192 B9R1.8 COCC1CCCCC1 7a_100000212181_200000210301 [2,0,0,0,0,0|1,0,1]=4 3193 B9R1.8 CSCC1CCCCC1 62a_100000211423_200000210301 [2,0,0,0,0,0|1,0,1]=4 3194 B9R1.8 CSCC1CCCCC1 62a_200000210301_100000211423 [2,0,0,0,0,0|1,0,1]=4 3195 B9R1.8 FCNC1CCCCC1 34a_100000182618_100015361967 [2,0,0,0,0,0|2,0,0]=4 3196 B9R1.8 FCOC1CCCCC1 34a_100000210231_100015361967 [2,0,0,0,0,0|2,0,0]=4 3197 B9R1.8 FCOC1CCCCC1 7a_100000210231_100015361967 [2,0,0,0,0,0|2,0,0]=4 3198 B9R1.8 FCSC1CCCCC1 62a_100000210327_100015361967 [2,0,0,0,0,0|2,0,0]=4 3199 B9R1.8 FCSC1CCCCC1 62a_100015361967_100000210327 [2,0,0,0,0,0|2,0,0]=4 3200 B9R1.8 O=CCN1CCCOC1 2230a_100000131196_200015260668 [2,0,0,0,0,0|2,0,0]=4 3201 B9R1.8 O=CCN1CCCOC1 269982a_100000131196_200015260668 [2,0,0,0,0,0|2,0,0]=4 3202 B9R1.8 O=CCN1CCCOC1 34a_100000131196_200009817547 [2,0,0,0,0,0|2,0,0]=4 3203 B9R1.8 O=CCN1CCOCC1 2230a_100015191051_200015260668 [2,0,0,0,0,0|2,0,0]=4 3204 B9R1.8 O=CCN1CCOCC1 269982a_100015191051_200015260668 [2,0,0,0,0,0|2,0,0]=4 3205 B9R1.8 O=CCN1CCOCC1 34a_100015191051_200009817547 [2,0,0,0,0,0|2,0,0]=4 3206 B9R1.8 O=CCN1CCSCC1 2230a_100000737611_200015260668 [2,0,0,0,0,0|2,0,0]=4 3207 B9R1.8 O=CCN1CCSCC1 269982a_100000737611_200015260668 [2,0,0,0,0,0|2,0,0]=4 3208 B9R1.8 OCCN1CCCOC1 2230a_100000131196_100000211926 [2,0,0,0,0,0|2,0,0]=4 3209 B9R1.8 OCCN1CCCOC1 269982a_100000131196_100000211926 [2,0,0,0,0,0|2,0,0]=4 3210 B9R1.8 OCCN1CCCOC1 34a_100000131196_100000211926 [2,0,0,0,0,0|2,0,0]=4 3211 B9R1.8 OCCN1CCOCC1 2230a_100015191051_100000211926 [2,0,0,0,0,0|2,0,0]=4 3212 B9R1.8 OCCN1CCOCC1 269982a_100015191051_100000211926 [2,0,0,0,0,0|2,0,0]=4 3213 B9R1.8 OCCN1CCOCC1 34a_100015191051_100000211926 [2,0,0,0,0,0|2,0,0]=4 3214 B9R1.8 OCCN1CCSCC1 2230a_100000737611_100000211926 [2,0,0,0,0,0|2,0,0]=4 3215 B9R1.8 OCCN1CCSCC1 269982a_100000737611_100000211926 [2,0,0,0,0,0|2,0,0]=4 3216 B9R1.8 [13CH3]NCC1CCCCC1 2230a_100000210473_200025704644 [2,0,0,0,0,0|1,0,1]=4 3217 B9R1.8 [13CH3]NCC1CCCCC1 34a_100000210473_200025704644 [2,0,0,0,0,0|1,0,1]=4 3218 B9R1.8 [13CH3]OCC1CCCCC1 34a_100000212181_200025704644 [2,0,0,0,0,0|1,0,1]=4 3219 B9R1.8 [13CH3]OCC1CCCCC1 7a_100000212181_200025704644 [2,0,0,0,0,0|1,0,1]=4 3220 B9R1.8 [13CH3]SCC1CCCCC1 62a_100000211423_200025704644 [2,0,0,0,0,0|1,0,1]=4 3221 B9R1.8 [13CH3]SCC1CCCCC1 62a_200025704644_100000211423 [2,0,0,0,0,0|1,0,1]=4 3222 B11R0.2 CCCCCCC(=O)CC(=O)N 1458a_100102632555_100000187820 [0,1,1,0,0,0|1,0,1]=4 3223 B11R0.2 CCCCCCC(=O)CC(=O)N 1458a_100134613110_100000210757 [0,1,1,0,0,0|1,0,1]=4 3224 B11R0.2 CCCCCCC(=O)CC(=O)[O-] 1458a_100102632555_100020667443 [0,1,1,0,0,0|0,0,2]=4 3225 B11R0.2 CCCCCCC(C)NC(=O)C 11a_100000210919_100015343762 [0,1,1,0,0,0|2,0,0]=4 3226 B11R0.2 CCCCCCC(C)NC(=O)C 1626a_100000210919_100015343762 [0,1,1,0,0,0|2,0,0]=4 3227 B11R0.2 CCCCCCC(C)NC(=O)C 240690a_100000210919_100015343762 [0,1,1,0,0,0|2,0,0]=4 3228 B11R0.2 CCCCCCC(C)NC(=O)C 527a_100000210919_100103153847 [0,1,1,0,0,0|2,0,0]=4 3229 B11R0.2 CCCCCCN(C)CC(=O)N 2230a_100000739694_100000210314 [0,1,1,0,0,0|2,0,0]=4 3230 B11R0.2 CCCCCCN(C)CC(=O)N 2230a_106256046315_100000747473 [0,1,1,0,0,0|2,0,0]=4 3231 B11R0.2 CCCCCCN(C)CC(=O)N 269982a_106256046315_100000187820 [0,1,1,0,0,0|2,0,0]=4 3232 B11R0.2 CCCCCCN(C)CC(=O)O 269956a_100000746989_100000210757 [0,1,1,0,0,0|1,0,0]=3 3233 B11R0.2 CCCCCCN(C)CC(=O)[O-] 269982a_106256046315_100020667443 [0,1,1,0,0,0|1,0,1]=4 3234 B11R0.2 CCCCNCC(O)CC(=O)O 269956a_100011218706_100000210211 [0,1,1,0,0,0|1,0,0]=3 3235 B11R0.2 CCCCOCN(C)CC(=O)O 269956a_100000746989_100011995733 [0,1,1,0,0,0|2,0,0]=4 3236 B11R0.2 CCCOCCN(C)CC(=O)O 269956a_100000746989_100011215938 [0,1,1,0,0,0|2,0,0]=4 3237 B11R0.2 CCOCCCN(C)CC(=O)O 269956a_100000746989_100012232248 [0,1,1,0,0,0|2,0,0]=4 3238 B11R0.2 CCOCNCC(O)CC(=O)O 269956a_100011218706_100000739092 [0,1,1,0,0,0|2,0,0]=4 3239 B11R0.2 CN(CCCCCF)CC(=O)O 269956a_100000746989_100000729378 [0,1,1,0,0,0|2,0,0]=4 3240 B11R0.2 CN(CCCCCO)CC(=O)O 269956a_100000746989_100000746330 [0,1,1,0,0,0|2,0,0]=4 3241 B11R0.2 COCCCCN(C)CC(=O)O 269956a_100000746989_100000730899 [0,1,1,0,0,0|2,0,0]=4 3242 B11R0.2 COCCNCC(O)CC(=O)O 269956a_100011218706_100000233755 [0,1,1,0,0,0|2,0,0]=4 3243 B11R0.2 CSCCNCC(O)CC(=O)O 269956a_100011218706_100000212216 [0,1,1,0,0,0|2,0,0]=4 3244 B11R0.2 O=C(O)CC(O)CNCCCF 269956a_100011218706_100011934791 [0,1,1,0,0,0|2,0,0]=4 3245 B11R0.2 O=C(O)CC(O)CNCCCO 269956a_100011218706_100011215043 [0,1,1,0,0,0|2,0,0]=4 3246 B11R0.30 CC(=O)CCCCCCC(C)C 1458a_100000040743_200000210301 [0,1,1,0,0,0|1,0,0]=3 3247 B11R0.30 CC(=O)CCCCNCC(=O)O 269956a_100016091260_100000735457 [0,1,1,0,0,0|1,0,1]=4 3248 B11R0.30 CC(=O)CCCCNCC(C)C 34a_100000210953_100009817362 [0,1,1,0,0,0|2,0,0]=4 3249 B11R0.30 CC(=O)CCCCNCC(C)O 34a_100000210904_100009817362 [0,1,1,0,0,0|2,0,0]=4 3250 B11R0.30 CC(=O)CCCCOCC(C)Br 34a_100012180447_100009817362 [0,1,1,0,0,0|2,0,0]=4 3251 B11R0.30 CC(=O)CCCCOCC(C)C 34a_100000210257_100009817362 [0,1,1,0,0,0|2,0,0]=4 3252 B11R0.30 CC(=O)CCCCOCC(C)F 34a_100015925927_100009817362 [0,1,1,0,0,0|2,0,0]=4 3253 B11R0.30 CC(=O)CCCCOC[C@@H](C)Cl 34a_100016084084_100009817362 [0,1,1,0,0,0|2,0,0]=4 3254 B11R0.30 CC(=O)CCCCOC[C@@H](C)N 34a_100000737577_100009817362 [0,1,1,0,0,0|2,0,0]=4 3255 B11R0.30 CC(=O)CCCCSCC(C)C 62a_100000210624_100000735457 [0,1,1,0,0,0|2,0,0]=4 3256 B11R0.30 CC(=O)CCCCSCC(C)C 62a_100000735457_100000210760 [0,1,1,0,0,0|2,0,0]=4 3257 B11R0.30 CC(=O)CCCCSCC(C)O 62a_100000735457_100011218427 [0,1,1,0,0,0|2,0,0]=4 3258 B11R0.30 CC(=O)CCCCSCC(C)O 62a_100011218427_100000735457 [0,1,1,0,0,0|2,0,0]=4 3259 B11R0.30 CC(=O)CCCCSC[C@@H](C)O 62a_100000735457_100009817552 [0,1,1,0,0,0|2,0,0]=4 3260 B11R0.30 CC(=O)CCCCSC[C@@H](C)O 62a_100009817552_100000735457 [0,1,1,0,0,0|2,0,0]=4 3261 B11R0.30 CC(=O)CCCOCCC(C)Br 34a_100009893172_100000685027 [0,1,1,0,0,0|2,0,0]=4 3262 B11R0.30 CC(=O)CCCOCCC(C)C 34a_100000210254_100000685027 [0,1,1,0,0,0|2,0,0]=4 3263 B11R0.30 CC(=O)CCCOCCC(C)C 34a_100000759063_100000210312 [0,1,1,0,0,0|2,0,0]=4 3264 B11R0.30 CC(=O)CCCOCCC(C)C 7a_100000210254_100011215641 [0,1,1,0,0,0|2,0,0]=4 3265 B11R0.30 CC(=O)CCCOCCC(C)C 7a_100000759063_100000210626 [0,1,1,0,0,0|2,0,0]=4 3266 B11R0.30 CC(=O)CCCOCCC(C)O 34a_100000759063_100012276601 [0,1,1,0,0,0|2,0,0]=4 3267 B11R0.30 CC(=O)CCCOCCC(C)O 7a_100000759063_100012276601 [0,1,1,0,0,0|2,0,0]=4 3268 B11R0.30 CC(=O)CCCOCC[C@@H](C)N 34a_100000706166_100000685027 [0,1,1,0,0,0|2,0,0]=4 3269 B11R0.30 CC(=O)CCCSCCC(C)C 62a_100000210312_100011215641 [0,1,1,0,0,0|2,0,0]=4 3270 B11R0.30 CC(=O)CCCSCCC(C)C 62a_100011215641_100000210312 [0,1,1,0,0,0|2,0,0]=4 3271 B11R0.30 CC(=O)CCCSCCC(C)O 62a_100011215641_100012276601 [0,1,1,0,0,0|2,0,0]=4 3272 B11R0.30 CC(=O)CCCSCCC(C)O 62a_100012276601_100011215641 [0,1,1,0,0,0|2,0,0]=4 3273 B11R0.30 CC(=O)CCOCCCC(C)C 34a_100000759926_100011214892 [0,1,1,0,0,0|2,0,0]=4 3274 B11R0.30 CC(=O)CCOCCCC(C)C 7a_100000210774_100000053229 [0,1,1,0,0,0|2,0,0]=4 3275 B11R0.30 CC(=O)CCOCCCC(C)C 7a_100000759926_100011214892 [0,1,1,0,0,0|2,0,0]=4 3276 B11R0.30 CC(=O)CCOCCCC(C)O 34a_100000759926_200000718107 [0,1,1,0,0,0|2,0,0]=4 3277 B11R0.30 CC(=O)CCOCCCC(C)O 7a_100000759926_200000718107 [0,1,1,0,0,0|2,0,0]=4 3278 B11R0.30 CC(=O)CCSCCCC(C)C 62a_100000053229_100011214892 [0,1,1,0,0,0|2,0,0]=4 3279 B11R0.30 CC(=O)CCSCCCC(C)C 62a_100011214892_100000053229 [0,1,1,0,0,0|2,0,0]=4 3280 B11R0.30 CC(=O)CCSCCCC(C)O 62a_100000053229_200000718107 [0,1,1,0,0,0|2,0,0]=4 3281 B11R0.30 CC(=O)CCSCCCC(C)O 62a_200000718107_100000053229 [0,1,1,0,0,0|2,0,0]=4 3282 B11R0.30 CC(=O)COCCCCC(C)C 34a_100000211253_100011216152 [0,1,1,0,0,0|2,0,0]=4 3283 B11R0.30 CC(=O)NCCCCCC(C)C 1626a_100011290863_100015343762 [0,1,1,0,0,0|2,0,0]=4 3284 B11R0.30 CC(=O)NCCCCCC(C)C 240690a_100011290863_100015343762 [0,1,1,0,0,0|2,0,0]=4 3285 B11R0.30 CC(=O)NCCCCCC(C)C 527a_100011290863_100103153847 [0,1,1,0,0,0|2,0,0]=4 3286 B11R0.30 CC(Br)CCOCCCC(=O)N 34a_100009893172_100102525003 [0,1,1,0,0,0|2,0,0]=4 3287 B11R0.30 CC(C)CCCCCCC(=O)[13CH3] 1458a_100000040743_200025704644 [0,1,1,0,0,0|1,0,0]=3 3288 B11R0.30 CC(C)CCCCNCC(=O)N 2230a_100000711301_100011216152 [0,1,1,0,0,0|2,0,0]=4 3289 B11R0.30 CC(C)CCCCNCC(=O)O 269956a_100016091260_100011216152 [0,1,1,0,0,0|1,0,0]=3 3290 B11R0.30 CC(C)CCCCOCC(=O)N 34a_100011214890_100000187820 [0,1,1,0,0,0|2,0,0]=4 3291 B11R0.30 CC(C)CCCCOCC(=O)N 7a_100011214890_100000187820 [0,1,1,0,0,0|2,0,0]=4 3292 B11R0.30 CC(C)CCCCOCC(=O)[O-] 34a_100011214890_100020667443 [0,1,1,0,0,0|1,0,1]=4 3293 B11R0.30 CC(C)CCCCSCC(=O)N 62a_100000747473_100011216152 [0,1,1,0,0,0|2,0,0]=4 3294 B11R0.30 CC(C)CCCCSCC(=O)N 62a_100011216152_100000747473 [0,1,1,0,0,0|2,0,0]=4 3295 B11R0.30 CC(C)CCCCSCC(=O)[O-] 62a_100011216152_100020667443 [0,1,1,0,0,0|1,0,1]=4 3296 B11R0.30 CC(C)CCCCSCC(=O)[O-] 62a_100020667443_100011216152 [0,1,1,0,0,0|1,0,1]=4 3297 B11R0.30 CC(C)CCCNCCC(=O)N 2230a_200000737386_100000744528 [0,1,1,0,0,0|2,0,0]=4 3298 B11R0.30 CC(C)CCCNCCC(=O)N 34a_200000737386_100000731001 [0,1,1,0,0,0|2,0,0]=4 3299 B11R0.30 CC(C)CCCNOCC(=O)O 269956a_100000106656_100011214892 [0,1,1,0,0,0|2,0,0]=4 3300 B11R0.30 CC(C)CCCOCCC(=O)N 34a_100000210774_100000731001 [0,1,1,0,0,0|2,0,0]=4 3301 B11R0.30 CC(C)CCCOCCC(=O)N 34a_100000757172_100011214892 [0,1,1,0,0,0|2,0,0]=4 3302 B11R0.30 CC(C)CCCOCCC(=O)N 7a_100000210774_100000744528 [0,1,1,0,0,0|2,0,0]=4 3303 B11R0.30 CC(C)CCCOCCC(=O)N 7a_100000757172_100011214892 [0,1,1,0,0,0|2,0,0]=4 3304 B11R0.30 CC(C)CCCSCCC(=O)N 62a_100000744528_100011214892 [0,1,1,0,0,0|2,0,0]=4 3305 B11R0.30 CC(C)CCCSCCC(=O)N 62a_100011214892_100000744528 [0,1,1,0,0,0|2,0,0]=4 3306 B11R0.30 CC(C)CCNCCCC(=O)N 269862a_100000739312_100000185833 [0,1,1,0,0,0|2,0,0]=4 3307 B11R0.30 CC(C)CCNCCCC(=O)N 34a_100000739312_100000210312 [0,1,1,0,0,0|2,0,0]=4 3308 B11R0.30 CC(C)CCOCCCC(=O)N 34a_100000210254_100102525003 [0,1,1,0,0,0|2,0,0]=4 3309 B11R0.30 CC(C)CCOCCCC(=O)N 7a_100000210254_100102525003 [0,1,1,0,0,0|2,0,0]=4 3310 B11R0.30 CC(C)CCSCCCC(=O)N 62a_100000210312_100102525003 [0,1,1,0,0,0|2,0,0]=4 3311 B11R0.30 CC(C)CCSCCCC(=O)N 62a_100102525003_100000210312 [0,1,1,0,0,0|2,0,0]=4 3312 B11R0.30 CC(C)CNCCCCC(=O)N 270004a_100000696515_100000210432 [0,1,1,0,0,0|2,0,0]=4 3313 B11R0.30 CC(C)CNCCCCC(=O)N 34a_100000696515_100000210624 [0,1,1,0,0,0|2,0,0]=4 3314 B11R0.30 CC(C)CNCCOCC(=O)O 269956a_100000700818_100000210760 [0,1,1,0,0,0|2,0,0]=4 3315 B11R0.30 CC(C)COCCCCC(=O)N 34a_100012022536_100000210624 [0,1,1,0,0,0|2,0,0]=4 3316 B11R0.30 CC(C)COCCCCC(=O)N 7a_100012022536_100000210760 [0,1,1,0,0,0|2,0,0]=4 3317 B11R0.30 CC(C)NCCCCCC(=O)N 2230a_100138425928_100009817443 [0,1,1,0,0,0|2,0,0]=4 3318 B11R0.30 CC(C)NCCCCCC(=O)N 34a_100138425928_100009817443 [0,1,1,0,0,0|2,0,0]=4 3319 B11R0.30 CC(C)OCCCCCC(=O)N 34a_100000123541_100000210206 [0,1,1,0,0,0|2,0,0]=4 3320 B11R0.30 CC(C)OCCCCCC(=O)N 34a_100000212225_100009817443 [0,1,1,0,0,0|2,0,0]=4 3321 B11R0.30 CC(C)OCCCCCC(=O)N 7a_100000123541_100000210206 [0,1,1,0,0,0|2,0,0]=4 3322 B11R0.30 CC(C)OCCCCCC(=O)[O-] 7a_100102619762_100000210206 [0,1,1,0,0,0|1,0,1]=4 3323 B11R0.30 CC(C)SCCCCCC(=O)N 62a_100000210206_100009817443 [0,1,1,0,0,0|2,0,0]=4 3324 B11R0.30 CC(C)SCCCCCC(=O)N 62a_100009817443_100000210206 [0,1,1,0,0,0|2,0,0]=4 3325 B11R0.30 CC(O)CCCNOCC(=O)O 269956a_100000106656_200000718107 [0,1,1,0,0,0|2,0,0]=4 3326 B11R0.30 CC(O)CCCOCCC(=O)N 34a_100000757172_200000718107 [0,1,1,0,0,0|2,0,0]=4 3327 B11R0.30 CC(O)CCCOCCC(=O)N 7a_100000757172_200000718107 [0,1,1,0,0,0|2,0,0]=4 3328 B11R0.30 CC(O)CCCSCCC(=O)N 62a_100000744528_200000718107 [0,1,1,0,0,0|2,0,0]=4 3329 B11R0.30 CC(O)CCCSCCC(=O)N 62a_200000718107_100000744528 [0,1,1,0,0,0|2,0,0]=4 3330 B11R0.30 CC(O)CCNCCCC(=O)N 34a_100000739312_100012276601 [0,1,1,0,0,0|2,0,0]=4 3331 B11R0.30 CC(O)CCSCCCC(=O)N 62a_100012276601_100102525003 [0,1,1,0,0,0|2,0,0]=4 3332 B11R0.30 CC(O)CCSCCCC(=O)N 62a_100102525003_100012276601 [0,1,1,0,0,0|2,0,0]=4 3333 B11R0.30 CC(O)CNCCCCC(=O)N 34a_100000696515_100011218427 [0,1,1,0,0,0|2,0,0]=4 3334 B11R0.30 CC(O)CNCCOCC(=O)O 269956a_100000700818_100011218427 [0,1,1,0,0,0|2,0,0]=4 3335 B11R0.30 CC(O)COCCCCC(=O)N 34a_100012022536_100011218427 [0,1,1,0,0,0|2,0,0]=4 3336 B11R0.30 CC(O)COCCCCC(=O)N 7a_100012022536_100011218427 [0,1,1,0,0,0|2,0,0]=4 3337 B11R0.30 CN(C)CCCCNCC(=O)O 269956a_100016091260_100000690147 [0,1,1,0,0,0|2,0,0]=4 3338 B11R0.30 C[C@@H](N)CCOCCCC(=O)N 34a_100000706166_100102525003 [0,1,1,0,0,0|2,0,0]=4 3339 B11R0.30 C[C@@H](O)CNCCCCC(=O)N 34a_100000696515_100009817552 [0,1,1,0,0,0|2,0,0]=4 3340 B11R0.30 C[C@@H](O)CNCCOCC(=O)O 269956a_100000700818_100009817552 [0,1,1,0,0,0|2,0,0]=4 3341 B11R0.30 C[C@@H](O)COCCCCC(=O)N 34a_100012022536_100009817552 [0,1,1,0,0,0|2,0,0]=4 3342 B11R0.30 C[C@@H](O)COCCCCC(=O)N 7a_100012022536_100009817552 [0,1,1,0,0,0|2,0,0]=4 3343 B11R0.40 C#CC(=O)CCCCCCCC 1458a_100000211873_100000210759 [0,1,1,0,0,0|1,0,0]=3 3344 B11R0.40 C#CC(=O)CCCCCCCO 1458a_100000211873_100000760002 [0,1,1,0,0,0|2,0,0]=4 3345 B11R0.40 C#CC(=O)CCCCCCOC 1458a_100000211873_100011998445 [0,1,1,0,0,0|2,0,0]=4 3346 B11R0.40 C#CCCCCCCC(=O)CO 1458a_100000210174_100012276617 [0,1,1,0,0,0|0,0,2]=4 3347 B11R0.40 C=CC(=O)CCCCCCCC 1458a_100000185746_100000210759 [0,1,1,0,0,0|1,0,0]=3 3348 B11R0.40 C=CC(=O)CCCCCCCO 1458a_100000185746_100000760002 [0,1,1,0,0,0|2,0,0]=4 3349 B11R0.40 C=CC(=O)CCCCCCOC 1458a_100000185746_100011998445 [0,1,1,0,0,0|2,0,0]=4 3350 B11R0.40 C=CC(=O)NCCCCCCC 1626a_100000229938_100000185746 [0,1,1,0,0,0|2,0,0]=4 3351 B11R0.40 C=CC(=O)NCCCCCCC 240690a_100000229938_200121576911 [0,1,1,0,0,0|2,0,0]=4 3352 B11R0.40 C=CCCCCCCC(=O)CO 1458a_100000210174_100011215473 [0,1,1,0,0,0|0,0,2]=4 3353 B11R0.40 CCC(=O)CCCCCCCO 1458a_100000210414_100000760002 [0,1,1,0,0,0|2,0,0]=4 3354 B11R0.40 CCC(=O)CCCCCCCO 1458a_100011219782_100000210202 [0,1,1,0,0,0|2,0,0]=4 3355 B11R0.40 CCC(=O)CCCCCCOC 1458a_100000210414_100011998445 [0,1,1,0,0,0|2,0,0]=4 3356 B11R0.40 CCCCCC#CCC(=O)CO 1458a_100000210174_100009816472 [0,1,1,0,0,0|0,0,2]=4 3357 B11R0.40 CCCCCCCCC(=O)CC 1458a_100000210188_100000210202 [0,1,1,0,0,0|1,0,0]=3 3358 B11R0.40 CCCCCCCCC(=O)CC 1458a_100000210414_100000210759 [0,1,1,0,0,0|1,0,0]=3 3359 B11R0.40 CCCCCCCCC(=O)CF 1458a_100000210188_100015361967 [0,1,1,0,0,0|1,0,0]=3 3360 B11R0.40 CCCCCCCCC(=O)CO 1458a_100000210174_100000210759 [0,1,1,0,0,0|0,0,0]=2 3361 B11R0.40 CCCCCCCCC(=O)NC 11a_106832991635_100000210188 [0,1,1,0,0,0|1,0,0]=3 3362 B11R0.40 CCCCCCCCC(=O)NC 1626a_100102657272_100000210188 [0,1,1,0,0,0|1,0,0]=3 3363 B11R0.40 CCCCCCCCC(=O)NC 240690a_100102657272_100000210188 [0,1,1,0,0,0|1,0,0]=3 3364 B11R0.40 CCCCCCCCC(=O)NC 527a_100102657272_100000210188 [0,1,1,0,0,0|1,0,0]=3 3365 B11R0.40 CCCCCCCCC(C)OC 34a_100000210740_200000210301 [0,1,1,0,0,0|1,0,1]=4 3366 B11R0.40 CCCCCCCCC(C)OC 7a_100000210740_200000210301 [0,1,1,0,0,0|1,0,1]=4 3367 B11R0.40 CCCCCCCCC(C)O[13CH3] 34a_100000210740_200025704644 [0,1,1,0,0,0|1,0,1]=4 3368 B11R0.40 CCCCCCCCC(C)O[13CH3] 7a_100000210740_200025704644 [0,1,1,0,0,0|1,0,1]=4 3369 B11R0.40 CCCCCCCNC(=O)CC 11a_100000229938_100000210414 [0,1,1,0,0,0|2,0,0]=4 3370 B11R0.40 CCCCCCCNC(=O)CC 1626a_100000229938_100000210414 [0,1,1,0,0,0|2,0,0]=4 3371 B11R0.40 CCCCCCCNC(=O)CC 240690a_100000229938_100000210414 [0,1,1,0,0,0|2,0,0]=4 3372 B11R0.40 CCCCCCCNC(=O)CC 527a_100000229938_100000210414 [0,1,1,0,0,0|2,0,0]=4 3373 B11R0.40 CCCCCCCNC(=O)CO 240690a_100000229938_100000210174 [0,1,1,0,0,0|1,0,0]=3 3374 B11R0.40 CCCCCCCNC(=O)CO 527a_100000229938_100000210174 [0,1,1,0,0,0|1,0,0]=3 3375 B11R0.40 CCCCCCCNC(=O)NC 2708a_100000229938_106832991635 [0,1,1,0,0,0|2,0,0]=4 3376 B11R0.40 CCCCCCCNC(=O)NC 2708a_100102657272_100000229938 [0,1,1,0,0,0|2,0,0]=4 3377 B11R0.40 CCCCCCCNC(=O)NC 273464a_100000229938_100102657272 [0,1,1,0,0,0|2,0,0]=4 3378 B11R0.40 CCCCCCCNC(=O)NC 273464a_100102657272_100000229938 [0,1,1,0,0,0|2,0,0]=4 3379 B11R0.40 CCCCCCCNC(=O)NC 512a_100000229938_100102657272 [0,1,1,0,0,0|2,0,0]=4 3380 B11R0.40 CCCCCCCNC(=O)NC 512a_106832991638_100000229938 [0,1,1,0,0,0|2,0,0]=4 3381 B11R0.40 CCCCCCNCC(=O)NC 2230a_100000210581_100000183359 [0,1,1,0,0,0|2,0,0]=4 3382 B11R0.40 CCCCCCNCC(=O)NC 2230a_100000693194_100000210314 [0,1,1,0,0,0|2,0,0]=4 3383 B11R0.40 CCCCCCNCC(=O)OC 2230a_100000210581_100000747449 [0,1,1,0,0,0|1,0,0]=3 3384 B11R0.40 CCCCCCOCC(=O)CC 34a_100000725409_100000210314 [0,1,1,0,0,0|2,0,0]=4 3385 B11R0.40 CCCCCCOCC(=O)CC 7a_100000210259_100000747405 [0,1,1,0,0,0|2,0,0]=4 3386 B11R0.40 CCCCCCOCC(=O)NC 34a_100000210259_100000183359 [0,1,1,0,0,0|2,0,0]=4 3387 B11R0.40 CCCCCCOCC(=O)NC 34a_100000750040_100000210314 [0,1,1,0,0,0|2,0,0]=4 3388 B11R0.40 CCCCCCOCC(=O)NC 7a_100000210259_100000183359 [0,1,1,0,0,0|2,0,0]=4 3389 B11R0.40 CCCCCCOCC(=O)OC 34a_100000210259_100000747449 [0,1,1,0,0,0|1,0,0]=3 3390 B11R0.40 CCCCCCOCC(=O)OC 7a_100000210259_100000747449 [0,1,1,0,0,0|1,0,0]=3 3391 B11R0.40 CCCCCCSCC(=O)CC 62a_100000210314_100000747405 [0,1,1,0,0,0|2,0,0]=4 3392 B11R0.40 CCCCCCSCC(=O)CC 62a_100000747405_100000210757 [0,1,1,0,0,0|2,0,0]=4 3393 B11R0.40 CCCCCCSCC(=O)NC 62a_100000183359_100000210757 [0,1,1,0,0,0|2,0,0]=4 3394 B11R0.40 CCCCCCSCC(=O)NC 62a_100000210314_100000183359 [0,1,1,0,0,0|2,0,0]=4 3395 B11R0.40 CCCCCCSCC(=O)OC 62a_100000210314_100000747449 [0,1,1,0,0,0|1,0,0]=3 3396 B11R0.40 CCCCCCSCC(=O)OC 62a_100000747449_100000210757 [0,1,1,0,0,0|1,0,0]=3 3397 B11R0.40 CCCCCNCCC(=O)NC 2230a_100000209983_100000737683 [0,1,1,0,0,0|2,0,0]=4 3398 B11R0.40 CCCCCNCCC(=O)NC 2230a_100000738227_100000210326 [0,1,1,0,0,0|2,0,0]=4 3399 B11R0.40 CCCCCNCCC(=O)NC 34a_100000738227_100000718602 [0,1,1,0,0,0|2,0,0]=4 3400 B11R0.40 CCCCCNCCC(=O)OC 2230a_100000209983_100000204255 [0,1,1,0,0,0|1,0,0]=3 3401 B11R0.40 CCCCCOCCC(=NO)N 34a_100000749954_100000718602 [0,1,1,0,0,0|2,0,0]=4 3402 B11R0.40 CCCCCOCCC(=O)NC 34a_100000210253_100012179268 [0,1,1,0,0,0|2,0,0]=4 3403 B11R0.40 CCCCCOCCC(=O)NC 34a_100000754576_100000718602 [0,1,1,0,0,0|2,0,0]=4 3404 B11R0.40 CCCCCOCCC(=O)NC 7a_100000210253_100000737683 [0,1,1,0,0,0|2,0,0]=4 3405 B11R0.40 CCCCCOCCC(=O)OC 34a_100000210253_100000742370 [0,1,1,0,0,0|1,0,0]=3 3406 B11R0.40 CCCCCOCCC(=O)OC 7a_100000210253_100000204255 [0,1,1,0,0,0|1,0,0]=3 3407 B11R0.40 CCCCCSCCC(=O)NC 62a_100000210326_100000737683 [0,1,1,0,0,0|2,0,0]=4 3408 B11R0.40 CCCCCSCCC(=O)NC 62a_100000737683_100000210326 [0,1,1,0,0,0|2,0,0]=4 3409 B11R0.40 CCCCCSCCC(=O)OC 62a_100000204255_100000210326 [0,1,1,0,0,0|1,0,0]=3 3410 B11R0.40 CCCCCSCCC(=O)OC 62a_100000210326_100000204255 [0,1,1,0,0,0|1,0,0]=3 3411 B11R0.40 CCCCCSCOC(=O)OC 62a_100000210326_100000139417 [0,1,1,0,0,0|2,0,0]=4 3412 B11R0.40 CCCCNCCCC(=O)NC 2230a_100000102301_100000741757 [0,1,1,0,0,0|2,0,0]=4 3413 B11R0.40 CCCCNCCCC(=O)NC 2230a_100000740002_100000210211 [0,1,1,0,0,0|2,0,0]=4 3414 B11R0.40 CCCCNCCCC(=O)NC 34a_100000740002_100000210210 [0,1,1,0,0,0|2,0,0]=4 3415 B11R0.40 CCCCNCCCC(=O)NC 7a_106832991798_100000741757 [0,1,1,0,0,0|2,0,0]=4 3416 B11R0.40 CCCCNCCCC(=O)OC 2230a_100000102301_100011218270 [0,1,1,0,0,0|1,0,0]=3 3417 B11R0.40 CCCCNCCCC(=O)OC 7a_106832991798_100011218270 [0,1,1,0,0,0|1,0,0]=3 3418 B11R0.40 CCCCOCCCC(=O)NC 34a_100000210227_100000741757 [0,1,1,0,0,0|2,0,0]=4 3419 B11R0.40 CCCCOCCCC(=O)NC 7a_100000210227_100000741757 [0,1,1,0,0,0|2,0,0]=4 3420 B11R0.40 CCCCOCCCC(=O)NN 34a_100000211488_100000210210 [0,1,1,0,0,0|2,0,0]=4 3421 B11R0.40 CCCCOCCCC(=O)OC 34a_100000210227_100000742333 [0,1,1,0,0,0|1,0,0]=3 3422 B11R0.40 CCCCOCCCC(=O)OC 7a_100000210227_100011218270 [0,1,1,0,0,0|1,0,0]=3 3423 B11R0.40 CCCCOCCNC(=O)OC 34a_100000757965_100000210210 [0,1,1,0,0,0|2,0,0]=4 3424 B11R0.40 CCCCOCCOC(=O)OC 34a_100010262106_100000210210 [0,1,1,0,0,0|2,0,0]=4 3425 B11R0.40 CCCCOCSCC(=O)OC 62a_100000747449_100011995733 [0,1,1,0,0,0|2,0,0]=4 3426 B11R0.40 CCCCOCSCC(=O)OC 62a_100011995733_100000747449 [0,1,1,0,0,0|2,0,0]=4 3427 B11R0.40 CCCCSCCCC(=O)NC 62a_100000210211_100000741757 [0,1,1,0,0,0|2,0,0]=4 3428 B11R0.40 CCCCSCCCC(=O)NC 62a_100000741757_100000210210 [0,1,1,0,0,0|2,0,0]=4 3429 B11R0.40 CCCCSCCCC(=O)OC 62a_100000210211_100011218270 [0,1,1,0,0,0|1,0,0]=3 3430 B11R0.40 CCCCSCCCC(=O)OC 62a_100011218270_100000210210 [0,1,1,0,0,0|1,0,0]=3 3431 B11R0.40 CCCCSCCNC(=O)CO 240690a_100025743550_100000210174 [0,1,1,0,0,0|2,0,0]=4 3432 B11R0.40 CCCCSCCNC(=O)CO 527a_100025743550_100000210174 [0,1,1,0,0,0|2,0,0]=4 3433 B11R0.40 CCCOCCCCC(=O)OC 34a_100000059025_100000210303 [0,1,1,0,0,0|1,0,0]=3 3434 B11R0.40 CCCOCCCCC(=O)OC 34a_100000210258_100000204269 [0,1,1,0,0,0|1,0,0]=3 3435 B11R0.40 CCCOCCCCC(=O)OC 7a_100000059025_100000210303 [0,1,1,0,0,0|1,0,0]=3 3436 B11R0.40 CCCOCCCNC(=O)CO 240690a_100011217757_100000210174 [0,1,1,0,0,0|2,0,0]=4 3437 B11R0.40 CCCOCCCNC(=O)CO 527a_100011217757_100000210174 [0,1,1,0,0,0|2,0,0]=4 3438 B11R0.40 CCCOCCNCC(=O)OC 2230a_100161115042_100000747449 [0,1,1,0,0,0|2,0,0]=4 3439 B11R0.40 CCCOCCNCC(=O)OC 34a_100161115042_100000747449 [0,1,1,0,0,0|2,0,0]=4 3440 B11R0.40 CCCOCCOCC(=O)OC 34a_100000210258_100000090808 [0,1,1,0,0,0|2,0,0]=4 3441 B11R0.40 CCCOCCOCC(=O)OC 34a_100000752267_100000747449 [0,1,1,0,0,0|2,0,0]=4 3442 B11R0.40 CCCOCCOCC(=O)OC 7a_100000752267_100000747449 [0,1,1,0,0,0|2,0,0]=4 3443 B11R0.40 CCCOCCSCC(=O)OC 62a_100000747449_100011215938 [0,1,1,0,0,0|2,0,0]=4 3444 B11R0.40 CCCOCCSCC(=O)OC 62a_100011215938_100000747449 [0,1,1,0,0,0|2,0,0]=4 3445 B11R0.40 CCCSCCCCC(=O)OC 62a_100000204269_100000210303 [0,1,1,0,0,0|1,0,0]=3 3446 B11R0.40 CCCSCCCCC(=O)OC 62a_100000210303_100000204269 [0,1,1,0,0,0|1,0,0]=3 3447 B11R0.40 CCCSCCNCC(=O)OC 2230a_100020603323_100000747449 [0,1,1,0,0,0|2,0,0]=4 3448 B11R0.40 CCCSCCOCC(=O)OC 34a_200000230433_100000747449 [0,1,1,0,0,0|2,0,0]=4 3449 B11R0.40 CCCSCCOCC(=O)OC 62a_100000090808_100000210303 [0,1,1,0,0,0|2,0,0]=4 3450 B11R0.40 CCCSCCOCC(=O)OC 62a_100000210303_100000090808 [0,1,1,0,0,0|2,0,0]=4 3451 B11R0.40 CCCSCCOCC(=O)OC 7a_200000230433_100000747449 [0,1,1,0,0,0|2,0,0]=4 3452 B11R0.40 CCNCCCCCC(=O)OC 2230a_100015525214_100009816466 [0,1,1,0,0,0|1,0,0]=3 3453 B11R0.40 CCOCCCCCC(=O)OC 34a_100000074720_100000210202 [0,1,1,0,0,0|1,0,0]=3 3454 B11R0.40 CCOCCCCCC(=O)OC 34a_100121572206_100009816466 [0,1,1,0,0,0|1,0,0]=3 3455 B11R0.40 CCOCCCCCC(=O)OC 7a_100000074720_100000210202 [0,1,1,0,0,0|1,0,0]=3 3456 B11R0.40 CCOCCCNCC(=O)OC 2230a_100000210961_100000747449 [0,1,1,0,0,0|2,0,0]=4 3457 B11R0.40 CCOCCCNCC(=O)OC 34a_100000210961_100000747449 [0,1,1,0,0,0|2,0,0]=4 3458 B11R0.40 CCOCCCOCC(=O)OC 34a_100000757476_100000747449 [0,1,1,0,0,0|2,0,0]=4 3459 B11R0.40 CCOCCCOCC(=O)OC 7a_100000757476_100000747449 [0,1,1,0,0,0|2,0,0]=4 3460 B11R0.40 CCOCCCSCC(=O)OC 62a_100000747449_100012232248 [0,1,1,0,0,0|2,0,0]=4 3461 B11R0.40 CCOCCCSCC(=O)OC 62a_100012232248_100000747449 [0,1,1,0,0,0|2,0,0]=4 3462 B11R0.40 CCOCCNCCC(=O)OC 2230a_102516460346_100000204255 [0,1,1,0,0,0|2,0,0]=4 3463 B11R0.40 CCOCCNCCC(=O)OC 34a_102516460346_100000742370 [0,1,1,0,0,0|2,0,0]=4 3464 B11R0.40 CCOCCOCCC(=O)CO 1458a_100000210174_100011211534 [0,1,1,0,0,0|2,0,0]=4 3465 B11R0.40 CCOCCOCCC(=O)OC 34a_100000210136_100000742370 [0,1,1,0,0,0|2,0,0]=4 3466 B11R0.40 CCOCCOCCC(=O)OC 7a_100000210136_100000204255 [0,1,1,0,0,0|2,0,0]=4 3467 B11R0.40 CCOCCSCCC(=O)OC 62a_100000204255_100011215890 [0,1,1,0,0,0|2,0,0]=4 3468 B11R0.40 CCOCCSCCC(=O)OC 62a_100000210147_100000204255 [0,1,1,0,0,0|2,0,0]=4 3469 B11R0.40 CCOCSCCCC(=O)OC 62a_100000739092_100011218270 [0,1,1,0,0,0|2,0,0]=4 3470 B11R0.40 CCOCSCCCC(=O)OC 62a_100011218270_100000739092 [0,1,1,0,0,0|2,0,0]=4 3471 B11R0.40 CCSCCCCCC(=O)OC 62a_100000210202_100009816466 [0,1,1,0,0,0|1,0,0]=3 3472 B11R0.40 CCSCCCCCC(=O)OC 62a_100009816466_100000210202 [0,1,1,0,0,0|1,0,0]=3 3473 B11R0.40 CCSCCCOCC(=O)OC 34a_100011216438_100000747449 [0,1,1,0,0,0|2,0,0]=4 3474 B11R0.40 CCSCCCOCC(=O)OC 7a_100011216438_100000747449 [0,1,1,0,0,0|2,0,0]=4 3475 B11R0.40 CCSCCNCCC(=O)OC 2230a_100000106463_100000204255 [0,1,1,0,0,0|2,0,0]=4 3476 B11R0.40 CCSCCOCCC(=O)OC 34a_100000212035_100000742370 [0,1,1,0,0,0|2,0,0]=4 3477 B11R0.40 CCSCCOCCC(=O)OC 7a_100000212035_100000204255 [0,1,1,0,0,0|2,0,0]=4 3478 B11R0.40 CCSCCSCCC(=O)OC 62a_100000204255_100000757381 [0,1,1,0,0,0|2,0,0]=4 3479 B11R0.40 CCSCCSCCC(=O)OC 62a_100000757381_100000204255 [0,1,1,0,0,0|2,0,0]=4 3480 B11R0.40 CNC(=O)CCCCCCCO 240690a_100102657272_100011219782 [0,1,1,0,0,0|2,0,0]=4 3481 B11R0.40 CNCCCCCCC(=O)OC 2230a_106832991635_100009815986 [0,1,1,0,0,0|1,0,0]=3 3482 B11R0.40 CNCCCCCCC(=O)OC 34a_100102657272_100009815986 [0,1,1,0,0,0|1,0,0]=3 3483 B11R0.40 CNCCCCCCC(=O)OC 7a_106832991635_100009815986 [0,1,1,0,0,0|1,0,0]=3 3484 B11R0.40 CNCCCOCCC(=O)OC 34a_100000213112_100000742370 [0,1,1,0,0,0|2,0,0]=4 3485 B11R0.40 COC(=O)CCCCCCO[13CH3] 34a_100009863599_200025704644 [0,1,1,0,0,0|1,0,0]=3 3486 B11R0.40 COC(=O)CCCCCCO[13CH3] 7a_100009863599_200025704644 [0,1,1,0,0,0|1,0,0]=3 3487 B11R0.40 COC(=O)CCCCCCSC 62a_100009815986_200000210301 [0,1,1,0,0,0|1,0,0]=3 3488 B11R0.40 COC(=O)CCCCCCSC 62a_200000210301_100009815986 [0,1,1,0,0,0|1,0,0]=3 3489 B11R0.40 COC(=O)CCCCCCS[13CH3] 62a_100009815986_200025704644 [0,1,1,0,0,0|1,0,0]=3 3490 B11R0.40 COC(=O)CCCCCCS[13CH3] 62a_200025704644_100009815986 [0,1,1,0,0,0|1,0,0]=3 3491 B11R0.40 COC(=O)CCCCCOCF 34a_100000074720_100015361967 [0,1,1,0,0,0|2,0,0]=4 3492 B11R0.40 COC(=O)CCCCCOCF 7a_100000074720_100015361967 [0,1,1,0,0,0|2,0,0]=4 3493 B11R0.40 COC(=O)CCCCCSCF 62a_100009816466_100015361967 [0,1,1,0,0,0|2,0,0]=4 3494 B11R0.40 COC(=O)CCCCCSCF 62a_100015361967_100009816466 [0,1,1,0,0,0|2,0,0]=4 3495 B11R0.40 COC(=O)CCCCNCCF 34a_100000724931_100000204269 [0,1,1,0,0,0|2,0,0]=4 3496 B11R0.40 COC(=O)CCCCNCCO 2230a_100016997473_100000204269 [0,1,1,0,0,0|2,0,0]=4 3497 B11R0.40 COC(=O)CCCCNCCO 34a_100016990907_100000204269 [0,1,1,0,0,0|2,0,0]=4 3498 B11R0.40 COC(=O)CCCCOCCBr 34a_100000211926_100000204269 [0,1,1,0,0,0|2,0,0]=4 3499 B11R0.40 COC(=O)CCCCOCCF 34a_100000059025_100011217306 [0,1,1,0,0,0|2,0,0]=4 3500 B11R0.40 COC(=O)CCCCOCCF 7a_100000059025_100011217306 [0,1,1,0,0,0|2,0,0]=4 3501 B11R0.40 COC(=O)CCCCOCCN 34a_100000210304_100000204269 [0,1,1,0,0,0|2,0,0]=4 3502 B11R0.40 COC(=O)CCCCOCCO 34a_100000059025_100000211926 [0,1,1,0,0,0|2,0,0]=4 3503 B11R0.40 COC(=O)CCCCOCCO 7a_100000059025_100000211926 [0,1,1,0,0,0|2,0,0]=4 3504 B11R0.40 COC(=O)CCCCOCSC 34a_100000059025_100011218213 [0,1,1,0,0,0|2,0,0]=4 3505 B11R0.40 COC(=O)CCCCSCCF 62a_100000204269_100011217306 [0,1,1,0,0,0|2,0,0]=4 3506 B11R0.40 COC(=O)CCCCSCCF 62a_100011217306_100000204269 [0,1,1,0,0,0|2,0,0]=4 3507 B11R0.40 COC(=O)CCCCSCCO 62a_100000204269_100000211926 [0,1,1,0,0,0|2,0,0]=4 3508 B11R0.40 COC(=O)CCCCSCCO 62a_100000211926_100000204269 [0,1,1,0,0,0|2,0,0]=4 3509 B11R0.40 COC(=O)CCCCSCSC 62a_100000204269_100011218213 [0,1,1,0,0,0|2,0,0]=4 3510 B11R0.40 COC(=O)CCCCSCSC 62a_100011218213_100000204269 [0,1,1,0,0,0|2,0,0]=4 3511 B11R0.40 COC(=O)CCCNCCCF 2230a_100015189416_100011218270 [0,1,1,0,0,0|2,0,0]=4 3512 B11R0.40 COC(=O)CCCNCCCF 34a_100015189416_100000742333 [0,1,1,0,0,0|2,0,0]=4 3513 B11R0.40 COC(=O)CCCNCCSC 2230a_100020590264_100011218270 [0,1,1,0,0,0|2,0,0]=4 3514 B11R0.40 COC(=O)CCCOCCCBr 34a_100011217188_100000742333 [0,1,1,0,0,0|2,0,0]=4 3515 B11R0.40 COC(=O)CCCOCCCCl 34a_100000230001_100000742333 [0,1,1,0,0,0|2,0,0]=4 3516 B11R0.40 COC(=O)CCCOCCCF 34a_100000759539_100000742333 [0,1,1,0,0,0|2,0,0]=4 3517 B11R0.40 COC(=O)CCCOCCCN 34a_100000182051_100000742333 [0,1,1,0,0,0|2,0,0]=4 3518 B11R0.40 COC(=O)CCCOCCSC 34a_100000230434_100000742333 [0,1,1,0,0,0|2,0,0]=4 3519 B11R0.40 COC(=O)CCCOCCSC 7a_100000230434_100011218270 [0,1,1,0,0,0|2,0,0]=4 3520 B11R0.40 COC(=O)CCCSCCCF 62a_100011218270_100011934791 [0,1,1,0,0,0|2,0,0]=4 3521 B11R0.40 COC(=O)CCCSCCCF 62a_100011934791_100011218270 [0,1,1,0,0,0|2,0,0]=4 3522 B11R0.40 COC(=O)CCCSCCCO 62a_100011215043_100011218270 [0,1,1,0,0,0|2,0,0]=4 3523 B11R0.40 COC(=O)CCCSCCCO 62a_100011218270_100011215043 [0,1,1,0,0,0|2,0,0]=4 3524 B11R0.40 COC(=O)CCCSCCSC 62a_100000212216_100011218270 [0,1,1,0,0,0|2,0,0]=4 3525 B11R0.40 COC(=O)CCCSCCSC 62a_100011218270_100000751147 [0,1,1,0,0,0|2,0,0]=4 3526 B11R0.40 COC(=O)CCNCCCCO 2230a_100000750430_100000204255 [0,1,1,0,0,0|2,0,0]=4 3527 B11R0.40 COC(=O)CCNCCCCO 34a_100000750430_100000742370 [0,1,1,0,0,0|2,0,0]=4 3528 B11R0.40 COC(=O)CCNCCCSC 2230a_100000749238_100000204255 [0,1,1,0,0,0|2,0,0]=4 3529 B11R0.40 COC(=O)CCOCCCCBr 34a_100011216708_100000742370 [0,1,1,0,0,0|2,0,0]=4 3530 B11R0.40 COC(=O)CCOCCCCCl 34a_100000210776_100000742370 [0,1,1,0,0,0|2,0,0]=4 3531 B11R0.40 COC(=O)CCOCCCCCl 7a_100000210776_100000204255 [0,1,1,0,0,0|2,0,0]=4 3532 B11R0.40 COC(=O)CCOCCCCF 34a_100011995726_100000742370 [0,1,1,0,0,0|2,0,0]=4 3533 B11R0.40 COC(=O)CCOCCCCF 7a_100011995726_100000204255 [0,1,1,0,0,0|2,0,0]=4 3534 B11R0.40 COC(=O)CCOCCCCI 34a_200012148704_100000742370 [0,1,1,0,0,0|2,0,0]=4 3535 B11R0.40 COC(=O)CCOCCCCN 34a_100000750430_100000742370 [0,1,1,0,0,0|2,0,0]=4 3536 B11R0.40 COC(=O)CCOCCCSC 34a_100000690336_100000742370 [0,1,1,0,0,0|2,0,0]=4 3537 B11R0.40 COC(=O)CCOCCCSC 7a_100000690336_100000204255 [0,1,1,0,0,0|2,0,0]=4 3538 B11R0.40 COC(=O)CCSCCCCF 62a_100000204255_100000729493 [0,1,1,0,0,0|2,0,0]=4 3539 B11R0.40 COC(=O)CCSCCCCF 62a_100000729493_100000204255 [0,1,1,0,0,0|2,0,0]=4 3540 B11R0.40 COC(=O)CCSCCCCO 62a_100000204255_100000210776 [0,1,1,0,0,0|2,0,0]=4 3541 B11R0.40 COC(=O)CCSCCCCO 62a_100000210776_100000204255 [0,1,1,0,0,0|2,0,0]=4 3542 B11R0.40 COC(=O)CNCCCCCO 2230a_100000762737_100000747449 [0,1,1,0,0,0|2,0,0]=4 3543 B11R0.40 COC(=O)CNCCCCCO 34a_100000762737_100000747449 [0,1,1,0,0,0|2,0,0]=4 3544 B11R0.40 COC(=O)COCCCCCBr 34a_100000746331_100000747449 [0,1,1,0,0,0|2,0,0]=4 3545 B11R0.40 COC(=O)COCCCCCBr 7a_100000746331_100000747449 [0,1,1,0,0,0|2,0,0]=4 3546 B11R0.40 COC(=O)COCCCCCCl 34a_100000746330_100000747449 [0,1,1,0,0,0|2,0,0]=4 3547 B11R0.40 COC(=O)COCCCCCCl 7a_100000746330_100000747449 [0,1,1,0,0,0|2,0,0]=4 3548 B11R0.40 COC(=O)COCCCCCI 34a_200012148887_100000747449 [0,1,1,0,0,0|2,0,0]=4 3549 B11R0.40 COC(=O)COCCCCCI 7a_200012148887_100000747449 [0,1,1,0,0,0|2,0,0]=4 3550 B11R0.40 COC(=O)COCCCCCN 34a_100000762737_100000747449 [0,1,1,0,0,0|2,0,0]=4 3551 B11R0.40 COC(=O)COCCCCSC 34a_100011217163_100000747449 [0,1,1,0,0,0|2,0,0]=4 3552 B11R0.40 COC(=O)COCCCCSC 7a_100011217163_100000747449 [0,1,1,0,0,0|2,0,0]=4 3553 B11R0.40 COC(=O)CSCCCCCF 62a_100000729378_100000747449 [0,1,1,0,0,0|2,0,0]=4 3554 B11R0.40 COC(=O)CSCCCCCF 62a_100000747449_100000729378 [0,1,1,0,0,0|2,0,0]=4 3555 B11R0.40 COC(=O)CSCCCCCO 62a_100000746330_100000747449 [0,1,1,0,0,0|2,0,0]=4 3556 B11R0.40 COC(=O)CSCCCCCO 62a_100000747449_100000746330 [0,1,1,0,0,0|2,0,0]=4 3557 B11R0.40 COCCCCCCC(=O)CO 1458a_100000210174_100011998445 [0,1,1,0,0,0|1,0,0]=3 3558 B11R0.40 COCCCCCCC(=O)OC 34a_100009863599_200000210301 [0,1,1,0,0,0|1,0,0]=3 3559 B11R0.40 COCCCCCCC(=O)OC 34a_100138415774_100009815986 [0,1,1,0,0,0|1,0,0]=3 3560 B11R0.40 COCCCCCCC(=O)OC 7a_100009863599_200000210301 [0,1,1,0,0,0|1,0,0]=3 3561 B11R0.40 COCCCCCNC(=O)CO 240690a_100000747528_100000210174 [0,1,1,0,0,0|2,0,0]=4 3562 B11R0.40 COCCCCCNC(=O)CO 527a_100000747528_100000210174 [0,1,1,0,0,0|2,0,0]=4 3563 B11R0.40 COCCCCOCC(=O)OC 34a_100000740925_100000747449 [0,1,1,0,0,0|2,0,0]=4 3564 B11R0.40 COCCCCSCC(=O)OC 62a_100000730899_100000747449 [0,1,1,0,0,0|2,0,0]=4 3565 B11R0.40 COCCCCSCC(=O)OC 62a_100000747449_100000730899 [0,1,1,0,0,0|2,0,0]=4 3566 B11R0.40 COCCCNCCC(=O)OC 34a_100150723488_100000742370 [0,1,1,0,0,0|2,0,0]=4 3567 B11R0.40 COCCCOCCC(=O)OC 34a_100000740835_100000742370 [0,1,1,0,0,0|2,0,0]=4 3568 B11R0.40 COCCCSCCC(=O)OC 62a_100000204255_100000709357 [0,1,1,0,0,0|2,0,0]=4 3569 B11R0.40 COCCCSCCC(=O)OC 62a_100000709357_100000204255 [0,1,1,0,0,0|2,0,0]=4 3570 B11R0.40 COCCNCCCC(=O)OC 2230a_100000209980_100011218270 [0,1,1,0,0,0|2,0,0]=4 3571 B11R0.40 COCCOCCCC(=O)CO 1458a_100000210174_100011216529 [0,1,1,0,0,0|2,0,0]=4 3572 B11R0.40 COCCOCCCC(=O)OC 34a_100000210237_100000742333 [0,1,1,0,0,0|2,0,0]=4 3573 B11R0.40 COCCSCCCC(=O)OC 62a_100000233755_100011218270 [0,1,1,0,0,0|2,0,0]=4 3574 B11R0.40 COCCSCCCC(=O)OC 62a_100011218270_100000233755 [0,1,1,0,0,0|2,0,0]=4 3575 B11R0.40 COCSCCCCC(=O)OC 62a_100000204269_100000766300 [0,1,1,0,0,0|2,0,0]=4 3576 B11R0.40 COCSCCCCC(=O)OC 62a_100000766300_100000204269 [0,1,1,0,0,0|2,0,0]=4 3577 B11R0.40 N#CCCCCCCC(=O)CO 1458a_100000210174_100009813337 [0,1,1,0,0,0|1,0,1]=4 3578 B11R0.40 O=C(CF)CCCCCCCO 1458a_100011219782_100015361967 [0,1,1,0,0,0|2,0,0]=4 3579 B11R0.40 O=C(CO)CCCCCCCO 1458a_100000210174_100000760002 [0,1,1,0,0,0|1,0,0]=3 3580 B11R0.40 O=C(CO)NCCCCCCO 240690a_100000686447_100000210174 [0,1,1,0,0,0|2,0,0]=4 3581 B11R0.40 O=C(CO)NCCCCCCO 527a_100000686447_100000210174 [0,1,1,0,0,0|2,0,0]=4 3582 B11R0.42 CC(CNCCCCF)C(=O)O 269956a_100000749485_100000729493 [0,1,1,0,0,0|2,0,0]=4 3583 B11R0.42 CC(CNCCCCO)C(=O)O 269956a_100000749485_100000210776 [0,1,1,0,0,0|2,0,0]=4 3584 B11R0.42 CCCCCCCC(C)C(=O)C 1458a_100000070787_200011218727 [0,1,1,0,0,0|1,0,0]=3 3585 B11R0.42 CCCCCCCN(C)C(=O)C 11a_100000228206_100015343762 [0,1,1,0,0,0|2,0,0]=4 3586 B11R0.42 CCCCCCCN(C)C(=O)C 1626a_100000228206_100015343762 [0,1,1,0,0,0|2,0,0]=4 3587 B11R0.42 CCCCCCCN(C)C(=O)C 240690a_100000228206_100015343762 [0,1,1,0,0,0|2,0,0]=4 3588 B11R0.42 CCCCCCCN(C)C(=O)C 527a_100000228206_100103153847 [0,1,1,0,0,0|2,0,0]=4 3589 B11R0.42 CCCCCCNC(C)C(=O)C 2230a_100000210581_100009814033 [0,1,1,0,0,0|2,0,0]=4 3590 B11R0.42 CCCCCCNC(C)C(=O)N 2230a_100000210581_100000702099 [0,1,1,0,0,0|2,0,0]=4 3591 B11R0.42 CCCCCCNC(F)C(=O)N 2230a_100000210581_100009813875 [0,1,1,0,0,0|2,0,0]=4 3592 B11R0.42 CCCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210757 [0,1,1,0,0,0|1,0,0]=3 3593 B11R0.42 CCCCCCN[C@H](C)C(=O)N 2230a_100000119354_100000210314 [0,1,1,0,0,0|2,0,0]=4 3594 B11R0.42 CCCCCCN[C@H](C)C(=O)N 34a_100000119354_100000210314 [0,1,1,0,0,0|2,0,0]=4 3595 B11R0.42 CCCCCCOC(C)C(=O)C 34a_100000212229_100000210314 [0,1,1,0,0,0|2,0,0]=4 3596 B11R0.42 CCCCCCOC(C)C(=O)C 7a_100000210259_100000179758 [0,1,1,0,0,0|2,0,0]=4 3597 B11R0.42 CCCCCCOC(C)C(=O)N 34a_100000210259_100000702099 [0,1,1,0,0,0|2,0,0]=4 3598 B11R0.42 CCCCCCOC(C)C(=O)N 7a_100000210259_100000702099 [0,1,1,0,0,0|2,0,0]=4 3599 B11R0.42 CCCCCCOC(F)C(=O)N 34a_100000210259_100009813875 [0,1,1,0,0,0|2,0,0]=4 3600 B11R0.42 CCCCCCOC(F)C(=O)N 7a_100000210259_100009813875 [0,1,1,0,0,0|2,0,0]=4 3601 B11R0.42 CCCCCCOC(F)C(=O)[O-] 34a_100000210259_100020610796 [0,1,1,0,0,0|1,0,1]=4 3602 B11R0.42 CCCCCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210314 [0,1,1,0,0,0|1,0,1]=4 3603 B11R0.42 CCCCCCO[C@H](C)C(=O)N 34a_100000731257_100000210314 [0,1,1,0,0,0|2,0,0]=4 3604 B11R0.42 CCCCCCO[C@H](C)C(=O)N 7a_100000731257_100000210314 [0,1,1,0,0,0|2,0,0]=4 3605 B11R0.42 CCCCCCSC(C)C(=O)C 62a_100000210314_100009814033 [0,1,1,0,0,0|2,0,0]=4 3606 B11R0.42 CCCCCCSC(C)C(=O)C 62a_100009814033_100000210757 [0,1,1,0,0,0|2,0,0]=4 3607 B11R0.42 CCCCCCSC(C)C(=O)N 62a_100000210314_100000702099 [0,1,1,0,0,0|2,0,0]=4 3608 B11R0.42 CCCCCCSC(C)C(=O)N 62a_100000702099_100000210757 [0,1,1,0,0,0|2,0,0]=4 3609 B11R0.42 CCCCCCSC(F)C(=O)N 62a_100000210314_100009813875 [0,1,1,0,0,0|2,0,0]=4 3610 B11R0.42 CCCCCCSC(F)C(=O)N 62a_100009813875_100000210757 [0,1,1,0,0,0|2,0,0]=4 3611 B11R0.42 CCCCCCSC(F)C(=O)[O-] 62a_100000210314_100020610796 [0,1,1,0,0,0|1,0,1]=4 3612 B11R0.42 CCCCCCSC(F)C(=O)[O-] 62a_100020610796_100000210757 [0,1,1,0,0,0|1,0,1]=4 3613 B11R0.42 CCCCCNCC(C)C(=O)O 269956a_100000749485_100000210326 [0,1,1,0,0,0|1,0,0]=3 3614 B11R0.42 CCCCCNCC(F)C(=O)O 269956a_100000084737_100000210326 [0,1,1,0,0,0|1,0,0]=3 3615 B11R0.42 CCCCCOCC(C)C(=O)C 34a_100000032740_100000718602 [0,1,1,0,0,0|2,0,0]=4 3616 B11R0.42 CCCCCOCC(C)C(=O)C 7a_100000032740_100000210326 [0,1,1,0,0,0|2,0,0]=4 3617 B11R0.42 CCCCCOC[C@H](N)C(=O)N 34a_100000729942_100000718602 [0,1,1,0,0,0|2,0,0]=4 3618 B11R0.42 CCCCOCN[C@@H](C)C(=O)O 269956a_100000743915_100011995733 [0,1,1,0,0,0|2,0,0]=4 3619 B11R0.42 CCCOCCN[C@@H](C)C(=O)O 269956a_100000743915_100011215938 [0,1,1,0,0,0|2,0,0]=4 3620 B11R0.42 CCOCCCN[C@@H](C)C(=O)O 269956a_100000743915_100012232248 [0,1,1,0,0,0|2,0,0]=4 3621 B11R0.42 CCOCCNCC(C)C(=O)O 269956a_100000749485_100000210147 [0,1,1,0,0,0|2,0,0]=4 3622 B11R0.42 CCOCCNCC(F)C(=O)O 269956a_100000084737_100000210147 [0,1,1,0,0,0|2,0,0]=4 3623 B11R0.42 CCSCCNCC(C)C(=O)O 269956a_100000749485_100000757381 [0,1,1,0,0,0|2,0,0]=4 3624 B11R0.42 CCSCCNCC(F)C(=O)O 269956a_100000084737_100000757381 [0,1,1,0,0,0|2,0,0]=4 3625 B11R0.42 COCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000730899 [0,1,1,0,0,0|2,0,0]=4 3626 B11R0.42 COCCCNCC(C)C(=O)O 269956a_100000749485_100000740836 [0,1,1,0,0,0|2,0,0]=4 3627 B11R0.42 COCCCNCC(F)C(=O)O 269956a_100000084737_100000740836 [0,1,1,0,0,0|2,0,0]=4 3628 B11R0.42 C[C@H](NCCCCCF)C(=O)O 269956a_100000743915_100000729378 [0,1,1,0,0,0|2,0,0]=4 3629 B11R0.42 C[C@H](NCCCCCO)C(=O)O 269956a_100000743915_100000746330 [0,1,1,0,0,0|2,0,0]=4 3630 B11R0.42 O=C(O)C(F)CNCCCCF 269956a_100000084737_100000729493 [0,1,1,0,0,0|2,0,0]=4 3631 B11R0.42 O=C(O)C(F)CNCCCCO 269956a_100000084737_100000210776 [0,1,1,0,0,0|2,0,0]=4 3632 B11R0.46 CCCCCC(=O)CCC(=O)N 1458a_100011215257_100000210326 [0,1,1,0,0,0|1,0,1]=4 3633 B11R0.46 CCCCCC(C)CCC(=O)C 1458a_100000034243_200000210301 [0,1,1,0,0,0|1,0,0]=3 3634 B11R0.46 CCCCCC(C)CCC(=O)[13CH3] 1458a_100000034243_200025704644 [0,1,1,0,0,0|1,0,0]=3 3635 B11R0.46 CCCCCC(C)NCC(=O)N 2230a_100000211957_100000747473 [0,1,1,0,0,0|2,0,0]=4 3636 B11R0.46 CCCCCC(C)NCC(=O)N 2230a_100000711301_200011218191 [0,1,1,0,0,0|2,0,0]=4 3637 B11R0.46 CCCCCC(C)NCC(=O)O 269956a_100016091260_200011218191 [0,1,1,0,0,0|1,0,0]=3 3638 B11R0.46 CCCCCC(C)OCC(=O)C 34a_100000211253_200011218191 [0,1,1,0,0,0|2,0,0]=4 3639 B11R0.46 CCCCCC(C)OCC(=O)N 34a_100011215632_100000187820 [0,1,1,0,0,0|2,0,0]=4 3640 B11R0.46 CCCCCC(C)OCC(=O)N 7a_100011215632_100000187820 [0,1,1,0,0,0|2,0,0]=4 3641 B11R0.46 CCCCCC(C)OCC(=O)[O-] 34a_100011215632_100020667443 [0,1,1,0,0,0|1,0,1]=4 3642 B11R0.46 CCCCCC(C)SCC(=O)N 62a_100000747473_200011218191 [0,1,1,0,0,0|2,0,0]=4 3643 B11R0.46 CCCCCC(C)SCC(=O)N 62a_200011218191_100000747473 [0,1,1,0,0,0|2,0,0]=4 3644 B11R0.46 CCCCCC(C)SCC(=O)[O-] 62a_100020667443_200011218191 [0,1,1,0,0,0|1,0,1]=4 3645 B11R0.46 CCCCCC(C)SCC(=O)[O-] 62a_200011218191_100020667443 [0,1,1,0,0,0|1,0,1]=4 3646 B11R0.46 CCCCCN(C)CCC(=O)C 1458a_100016987678_200000210301 [0,1,1,0,0,0|2,0,0]=4 3647 B11R0.46 CCCCCN(C)CCC(=O)C 269982a_100000223495_100000053229 [0,1,1,0,0,0|2,0,0]=4 3648 B11R0.46 CCCCCN(C)CCC(=O)N 2230a_100000223495_100000744528 [0,1,1,0,0,0|2,0,0]=4 3649 B11R0.46 CCCCCN(C)CCC(=O)N 2230a_100000730477_100000210326 [0,1,1,0,0,0|2,0,0]=4 3650 B11R0.46 CCCCCN(C)CCC(=O)N 269982a_100000223495_100000744528 [0,1,1,0,0,0|2,0,0]=4 3651 B11R0.46 CCCCCN(C)CCC(=O)[13CH3] 1458a_100016987678_200025704644 [0,1,1,0,0,0|2,0,0]=4 3652 B11R0.111 CCC(=O)CCCCCC(=O)N 1458a_100000210414_100009817443 [0,1,1,0,0,0|1,0,1]=4 3653 B11R0.111 CCC(C)CCCOCC(=O)N 7a_100011216074_100000187820 [0,1,1,0,0,0|2,0,0]=4 3654 B11R0.111 CCC(C)CCNCCC(=O)N 2230a_100020591266_100000744528 [0,1,1,0,0,0|2,0,0]=4 3655 B11R0.111 CCC(C)CCOCCC(=O)C 7a_100011215188_100000053229 [0,1,1,0,0,0|2,0,0]=4 3656 B11R0.111 CCC(C)CCOCCC(=O)N 7a_100011215188_100000744528 [0,1,1,0,0,0|2,0,0]=4 3657 B11R0.111 CCC(C)CNCCCC(=O)N 34a_100000739312_100000748023 [0,1,1,0,0,0|2,0,0]=4 3658 B11R0.111 CCC(C)COCCCC(=O)C 34a_100000759063_100000748023 [0,1,1,0,0,0|2,0,0]=4 3659 B11R0.111 CCC(C)COCCCC(=O)C 7a_100000759063_100000748023 [0,1,1,0,0,0|2,0,0]=4 3660 B11R0.111 CCC(C)CSCCCC(=O)C 62a_100000748023_100011215641 [0,1,1,0,0,0|2,0,0]=4 3661 B11R0.111 CCC(C)CSCCCC(=O)C 62a_100011215641_100000748023 [0,1,1,0,0,0|2,0,0]=4 3662 B11R0.111 CCC(C)CSCCCC(=O)N 62a_100000748023_100102525003 [0,1,1,0,0,0|2,0,0]=4 3663 B11R0.111 CCC(C)CSCCCC(=O)N 62a_100102525003_100000748023 [0,1,1,0,0,0|2,0,0]=4 3664 B11R0.111 CCC(C)NCCCCC(=O)N 34a_100000696515_100011215416 [0,1,1,0,0,0|2,0,0]=4 3665 B11R0.111 CCC(C)NCCOCC(=O)O 269956a_100000700818_100000758301 [0,1,1,0,0,0|2,0,0]=4 3666 B11R0.111 CCC(C)OCCCCC(=O)C 7a_100000210228_100000735457 [0,1,1,0,0,0|2,0,0]=4 3667 B11R0.111 CCC(C)OCCCCC(=O)N 34a_100012022536_100011215416 [0,1,1,0,0,0|2,0,0]=4 3668 B11R0.111 CCC(C)OCCCCC(=O)N 7a_100012022536_100000758301 [0,1,1,0,0,0|2,0,0]=4 3669 B11R0.111 CCC(C)SCCCCC(=O)C 62a_100000735457_100000758301 [0,1,1,0,0,0|2,0,0]=4 3670 B11R0.111 CCC(C)SCCCCC(=O)C 62a_100000758301_100000735457 [0,1,1,0,0,0|2,0,0]=4 3671 B11R0.111 CCC(O)CNCCCC(=O)N 34a_100000739312_100011218378 [0,1,1,0,0,0|2,0,0]=4 3672 B11R0.111 CCC(O)COCCCC(=O)C 34a_100000759063_100011218378 [0,1,1,0,0,0|2,0,0]=4 3673 B11R0.111 CCC(O)COCCCC(=O)C 7a_100000759063_100011218378 [0,1,1,0,0,0|2,0,0]=4 3674 B11R0.111 CCC(O)CSCCCC(=O)C 62a_100011215641_100011218378 [0,1,1,0,0,0|2,0,0]=4 3675 B11R0.111 CCC(O)CSCCCC(=O)C 62a_100011218378_100011215641 [0,1,1,0,0,0|2,0,0]=4 3676 B11R0.111 CCC(O)CSCCCC(=O)N 62a_100011218378_100102525003 [0,1,1,0,0,0|2,0,0]=4 3677 B11R0.111 CCC(O)CSCCCC(=O)N 62a_100102525003_100011218378 [0,1,1,0,0,0|2,0,0]=4 3678 B11R0.111 CCN(C)CCCCCC(=O)N 2230a_100000225621_100009817443 [0,1,1,0,0,0|2,0,0]=4 3679 B11R0.111 CCN(C)CCCCCC(=O)N 269982a_100000225621_100009817443 [0,1,1,0,0,0|2,0,0]=4 3680 B11R0.111 CCN(C)CCCNCC(=O)O 269956a_100016091260_100015186262 [0,1,1,0,0,0|2,0,0]=4 3681 B11R0.111 CC[C@H](C)CNCCCC(=O)N 34a_100000739312_100009816398 [0,1,1,0,0,0|2,0,0]=4 3682 B11R0.111 CC[C@H](C)COCCCC(=O)C 34a_100000759063_100009816398 [0,1,1,0,0,0|2,0,0]=4 3683 B11R0.111 CC[C@H](C)COCCCC(=O)C 7a_100000759063_100009816398 [0,1,1,0,0,0|2,0,0]=4 3684 B11R0.111 CC[C@H](C)COCCCC(=O)C 7a_100009816381_100011215641 [0,1,1,0,0,0|2,0,0]=4 3685 B11R0.111 CC[C@H](C)COCCCC(=O)N 7a_100009816381_100102525003 [0,1,1,0,0,0|2,0,0]=4 3686 B11R0.111 CC[C@H](C)CSCCCC(=O)C 62a_100009816398_100011215641 [0,1,1,0,0,0|2,0,0]=4 3687 B11R0.111 CC[C@H](C)CSCCCC(=O)C 62a_100011215641_100009816398 [0,1,1,0,0,0|2,0,0]=4 3688 B11R0.111 CC[C@H](C)CSCCCC(=O)N 62a_100009816398_100102525003 [0,1,1,0,0,0|2,0,0]=4 3689 B11R0.111 CC[C@H](C)CSCCCC(=O)N 62a_100102525003_100009816398 [0,1,1,0,0,0|2,0,0]=4 3690 B11R0.147 CCCCC(=O)CCCC(=O)C 1458a_100000210183_100011215641 [0,1,1,0,0,0|1,0,1]=4 3691 B11R0.147 CCCCC(=O)CCCC(=O)N 1458a_100000210183_100102525003 [0,1,1,0,0,0|1,0,1]=4 3692 B11R0.147 CCCCC(C)COCC(=O)N 34a_100011995851_100000187820 [0,1,1,0,0,0|2,0,0]=4 3693 B11R0.147 CCCCC(C)COCC(=O)N 7a_100011995851_100000187820 [0,1,1,0,0,0|2,0,0]=4 3694 B11R0.147 CCCCC(C)COCC(=O)[O-] 34a_100011995851_100020667443 [0,1,1,0,0,0|1,0,1]=4 3695 B11R0.147 CCCCC(C)NCCC(=O)N 2230a_100000126638_100000744528 [0,1,1,0,0,0|2,0,0]=4 3696 B11R0.147 CCCCC(C)NOCC(=O)O 269956a_100000106656_200011215066 [0,1,1,0,0,0|2,0,0]=4 3697 B11R0.147 CCCCC(C)OCCC(=O)C 34a_100000759926_200011215066 [0,1,1,0,0,0|2,0,0]=4 3698 B11R0.147 CCCCC(C)OCCC(=O)C 7a_100000687866_100000053229 [0,1,1,0,0,0|2,0,0]=4 3699 B11R0.147 CCCCC(C)OCCC(=O)C 7a_100000759926_200011215066 [0,1,1,0,0,0|2,0,0]=4 3700 B11R0.147 CCCCC(C)OCCC(=O)N 34a_100000687866_100000731001 [0,1,1,0,0,0|2,0,0]=4 3701 B11R0.147 CCCCC(C)OCCC(=O)N 34a_100000757172_200011215066 [0,1,1,0,0,0|2,0,0]=4 3702 B11R0.147 CCCCC(C)OCCC(=O)N 7a_100000687866_100000744528 [0,1,1,0,0,0|2,0,0]=4 3703 B11R0.147 CCCCC(C)OCCC(=O)N 7a_100000757172_200011215066 [0,1,1,0,0,0|2,0,0]=4 3704 B11R0.147 CCCCC(C)SCCC(=O)C 62a_100000053229_200011215066 [0,1,1,0,0,0|2,0,0]=4 3705 B11R0.147 CCCCC(C)SCCC(=O)C 62a_200011215066_100000053229 [0,1,1,0,0,0|2,0,0]=4 3706 B11R0.147 CCCCC(C)SCCC(=O)N 62a_100000744528_200011215066 [0,1,1,0,0,0|2,0,0]=4 3707 B11R0.147 CCCCC(C)SCCC(=O)N 62a_200011215066_100000744528 [0,1,1,0,0,0|2,0,0]=4 3708 B11R0.147 CCCCN(C)CCCC(=O)C 269982a_100000207549_100011215641 [0,1,1,0,0,0|2,0,0]=4 3709 B11R0.147 CCCCN(C)CCCC(=O)N 269982a_100000207549_100102525003 [0,1,1,0,0,0|2,0,0]=4 3710 B11R0.147 CCCCN(C)CCCC(=O)O 269956a_100000719178_100000210211 [0,1,1,0,0,0|1,0,0]=3 3711 B11R0.147 CCCC[C@H](N)COCC(=O)N 34a_100011934283_100000187820 [0,1,1,0,0,0|2,0,0]=4 3712 B11R0.147 CCCC[C@H](N)COCC(=O)[O-] 34a_100011934283_100020667443 [0,1,1,0,0,0|1,0,1]=4 3713 B11R0.147 CCCOC(C)CCCC(=O)[O-] 7a_100000761597_100000210303 [0,1,1,0,0,0|1,0,1]=4 3714 B11R0.147 CCOCN(C)CCCC(=O)O 269956a_100000719178_100000739092 [0,1,1,0,0,0|2,0,0]=4 3715 B11R0.147 CN(CCCF)CCCC(=O)O 269956a_100000719178_100011934791 [0,1,1,0,0,0|2,0,0]=4 3716 B11R0.147 CN(CCCO)CCCC(=O)O 269956a_100000719178_100011215043 [0,1,1,0,0,0|2,0,0]=4 3717 B11R0.147 COCCN(C)CCCC(=O)O 269956a_100000719178_100000233755 [0,1,1,0,0,0|2,0,0]=4 3718 B11R0.147 CSCCN(C)CCCC(=O)O 269956a_100000719178_100000212216 [0,1,1,0,0,0|2,0,0]=4 3719 B11R0.148 C#CCCCCCCCC(=O)C 1458a_100000070787_100153394163 [0,1,1,0,0,0|1,0,1]=4 3720 B11R0.148 C#CCCCCCCCC(=O)C 1458a_100000087357_200000210301 [0,1,1,0,0,0|1,0,1]=4 3721 B11R0.148 C#CCCCCCCCC(=O)[13CH3] 1458a_100000087357_200025704644 [0,1,1,0,0,0|1,0,1]=4 3722 B11R0.148 C#CCCCCCNCC(=O)O 269956a_100016091260_100012094781 [0,1,1,0,0,0|0,0,2]=4 3723 B11R0.148 C=C(Br)CCOCCCCCC 34a_100009813270_100000210314 [0,1,1,0,0,0|2,0,0]=4 3724 B11R0.148 C=C(C)CCNCCCCCC 2230a_100000210581_100000730704 [0,1,1,0,0,0|2,0,0]=4 3725 B11R0.148 C=C(C)CCOCCCCCC 34a_100000210259_100000730704 [0,1,1,0,0,0|2,0,0]=4 3726 B11R0.148 C=C(C)CCOCCCCCC 34a_100000764851_100000210314 [0,1,1,0,0,0|2,0,0]=4 3727 B11R0.148 C=C(C)CCOCCCCCC 7a_100000210259_100000730704 [0,1,1,0,0,0|2,0,0]=4 3728 B11R0.148 C=C(C)CCSCCCCCC 62a_100000210314_100000730704 [0,1,1,0,0,0|2,0,0]=4 3729 B11R0.148 C=C(C)CCSCCCCCC 62a_100000730704_100000210757 [0,1,1,0,0,0|2,0,0]=4 3730 B11R0.148 C=C(C)CNCCCCCCC 2230a_100000229938_100000748629 [0,1,1,0,0,0|2,0,0]=4 3731 B11R0.148 C=C(C)COCCCCCCC 34a_100000210245_100000210614 [0,1,1,0,0,0|2,0,0]=4 3732 B11R0.148 C=C(C)COCCCCCCC 34a_100000210272_100000748629 [0,1,1,0,0,0|2,0,0]=4 3733 B11R0.148 C=C(C)COCCCCCCC 7a_100000210272_100000748629 [0,1,1,0,0,0|2,0,0]=4 3734 B11R0.148 C=C(C)CSCCCCCCC 62a_100000210614_100000211660 [0,1,1,0,0,0|2,0,0]=4 3735 B11R0.148 C=C(C)CSCCCCCCC 62a_100000748629_100000210316 [0,1,1,0,0,0|2,0,0]=4 3736 B11R0.148 C=C(F)CNCCCCCCC 2230a_100000229938_100009893438 [0,1,1,0,0,0|2,0,0]=4 3737 B11R0.148 C=C(F)COCCCCCCC 34a_100000210272_100009893438 [0,1,1,0,0,0|2,0,0]=4 3738 B11R0.148 C=C(F)COCCCCCCC 34a_200010262243_100000210614 [0,1,1,0,0,0|2,0,0]=4 3739 B11R0.148 C=C(F)COCCCCCCC 7a_100000210272_100000042424 [0,1,1,0,0,0|2,0,0]=4 3740 B11R0.148 C=C(F)CSCCCCCCC 62a_100000042424_100000210316 [0,1,1,0,0,0|2,0,0]=4 3741 B11R0.148 C=C(F)CSCCCCCCC 62a_100000210614_100000042424 [0,1,1,0,0,0|2,0,0]=4 3742 B11R0.148 C=CCCCCCCCC(=O)C 1458a_100000070787_100012355270 [0,1,1,0,0,0|1,0,1]=4 3743 B11R0.148 C=CCCCCCCCC(=O)C 1458a_100011216160_200000210301 [0,1,1,0,0,0|1,0,1]=4 3744 B11R0.148 C=CCCCCCCCC(=O)[13CH3] 1458a_100011216160_200025704644 [0,1,1,0,0,0|1,0,1]=4 3745 B11R0.148 C=CCCCCCNCC(=O)O 269956a_100016091260_100000700193 [0,1,1,0,0,0|0,0,2]=4 3746 B11R0.148 CC(=O)CCCCCCCCO 1458a_100000070787_100000033203 [0,1,1,0,0,0|1,0,0]=3 3747 B11R0.148 CC(=O)CCCCNCCCF 34a_100015189416_100009817362 [0,1,1,0,0,0|2,0,0]=4 3748 B11R0.148 CC(=O)CCCCOCCCBr 34a_100011217188_100009817362 [0,1,1,0,0,0|2,0,0]=4 3749 B11R0.148 CC(=O)CCCCOCCCCl 34a_100000230001_100009817362 [0,1,1,0,0,0|2,0,0]=4 3750 B11R0.148 CC(=O)CCCCOCCCF 34a_100000759539_100009817362 [0,1,1,0,0,0|2,0,0]=4 3751 B11R0.148 CC(=O)CCCCOCCCN 34a_100000182051_100009817362 [0,1,1,0,0,0|2,0,0]=4 3752 B11R0.148 CC(=O)CCCCSCCCF 62a_100000735457_100011934791 [0,1,1,0,0,0|2,0,0]=4 3753 B11R0.148 CC(=O)CCCCSCCCF 62a_100011934791_100000735457 [0,1,1,0,0,0|2,0,0]=4 3754 B11R0.148 CC(=O)CCCCSCCCO 62a_100000735457_100011215043 [0,1,1,0,0,0|2,0,0]=4 3755 B11R0.148 CC(=O)CCCCSCCCO 62a_100011215043_100000735457 [0,1,1,0,0,0|2,0,0]=4 3756 B11R0.148 CC(=O)CCCNCCCCO 34a_100000750430_100000685027 [0,1,1,0,0,0|2,0,0]=4 3757 B11R0.148 CC(=O)CCCOCCCCBr 34a_100011216708_100000685027 [0,1,1,0,0,0|2,0,0]=4 3758 B11R0.148 CC(=O)CCCOCCCCCl 34a_100000210776_100000685027 [0,1,1,0,0,0|2,0,0]=4 3759 B11R0.148 CC(=O)CCCOCCCCCl 7a_100000210776_100011215641 [0,1,1,0,0,0|2,0,0]=4 3760 B11R0.148 CC(=O)CCCOCCCCF 34a_100000759063_100000729493 [0,1,1,0,0,0|2,0,0]=4 3761 B11R0.148 CC(=O)CCCOCCCCF 34a_100011995726_100000685027 [0,1,1,0,0,0|2,0,0]=4 3762 B11R0.148 CC(=O)CCCOCCCCF 7a_100000759063_100000729493 [0,1,1,0,0,0|2,0,0]=4 3763 B11R0.148 CC(=O)CCCOCCCCF 7a_100011995726_100011215641 [0,1,1,0,0,0|2,0,0]=4 3764 B11R0.148 CC(=O)CCCOCCCCI 34a_200012148704_100000685027 [0,1,1,0,0,0|2,0,0]=4 3765 B11R0.148 CC(=O)CCCOCCCCN 34a_100000750430_100000685027 [0,1,1,0,0,0|2,0,0]=4 3766 B11R0.148 CC(=O)CCCOCCCCO 34a_100000759063_100011216708 [0,1,1,0,0,0|2,0,0]=4 3767 B11R0.148 CC(=O)CCCOCCCCO 7a_100000759063_100000210776 [0,1,1,0,0,0|2,0,0]=4 3768 B11R0.148 CC(=O)CCCSCCCCF 62a_100000729493_100011215641 [0,1,1,0,0,0|2,0,0]=4 3769 B11R0.148 CC(=O)CCCSCCCCF 62a_100011215641_100000729493 [0,1,1,0,0,0|2,0,0]=4 3770 B11R0.148 CC(=O)CCCSCCCCO 62a_100000210776_100011215641 [0,1,1,0,0,0|2,0,0]=4 3771 B11R0.148 CC(=O)CCCSCCCCO 62a_100011215641_100000210776 [0,1,1,0,0,0|2,0,0]=4 3772 B11R0.148 CC(=O)CCOCCCCCBr 7a_100000746331_100000053229 [0,1,1,0,0,0|2,0,0]=4 3773 B11R0.148 CC(=O)CCOCCCCCCl 7a_100000746330_100000053229 [0,1,1,0,0,0|2,0,0]=4 3774 B11R0.148 CC(=O)CCOCCCCCF 34a_100000759926_100000729378 [0,1,1,0,0,0|2,0,0]=4 3775 B11R0.148 CC(=O)CCOCCCCCF 7a_100000759926_100000729378 [0,1,1,0,0,0|2,0,0]=4 3776 B11R0.148 CC(=O)CCOCCCCCI 7a_200012148887_100000053229 [0,1,1,0,0,0|2,0,0]=4 3777 B11R0.148 CC(=O)CCOCCCCCO 34a_100000759926_100000746330 [0,1,1,0,0,0|2,0,0]=4 3778 B11R0.148 CC(=O)CCOCCCCCO 7a_100000759926_100000746330 [0,1,1,0,0,0|2,0,0]=4 3779 B11R0.148 CC(=O)CCSCCCCCF 62a_100000053229_100000729378 [0,1,1,0,0,0|2,0,0]=4 3780 B11R0.148 CC(=O)CCSCCCCCF 62a_100000729378_100000053229 [0,1,1,0,0,0|2,0,0]=4 3781 B11R0.148 CC(=O)CCSCCCCCO 62a_100000053229_100000746330 [0,1,1,0,0,0|2,0,0]=4 3782 B11R0.148 CC(=O)CCSCCCCCO 62a_100000746330_100000053229 [0,1,1,0,0,0|2,0,0]=4 3783 B11R0.148 CC(=O)COCCCCCCF 34a_100000211253_100015922095 [0,1,1,0,0,0|2,0,0]=4 3784 B11R0.148 CC(=O)COCCCCCCO 34a_100000211253_100000766143 [0,1,1,0,0,0|2,0,0]=4 3785 B11R0.148 CC(=O)NCCCCCCCO 240690a_100011996573_100015343762 [0,1,1,0,0,0|2,0,0]=4 3786 B11R0.148 CC(=O)NCCCCCCN[13CH3] 2230a_200011996284_200025704644 [0,1,1,0,0,0|2,0,0]=4 3787 B11R0.148 CC(=O)NCCCCCCN[13CH3] 34a_200011996284_200025704644 [0,1,1,0,0,0|2,0,0]=4 3788 B11R0.148 CCCCC#CCCCC(=O)C 1458a_100000070787_200000047210 [0,1,1,0,0,0|1,0,1]=4 3789 B11R0.148 CCCCC/C=C/CCC(=O)C 1458a_200015255902_200000210301 [0,1,1,0,0,0|1,0,1]=4 3790 B11R0.148 CCCCC/C=C/CCC(=O)[13CH3] 1458a_200015255902_200025704644 [0,1,1,0,0,0|1,0,1]=4 3791 B11R0.148 CCCCCC/C=C/CC(=O)C 1458a_100020681715_200000210301 [0,1,1,0,0,0|1,0,1]=4 3792 B11R0.148 CCCCCC/C=C/CC(=O)[13CH3] 1458a_100020681715_200025704644 [0,1,1,0,0,0|1,0,1]=4 3793 B11R0.148 CCCCCCCC=CC(=O)C 1458a_200015332781_200000210301 [0,1,1,0,0,0|1,0,1]=4 3794 B11R0.148 CCCCCCCC=CC(=O)[13CH3] 1458a_200015332781_200025704644 [0,1,1,0,0,0|1,0,1]=4 3795 B11R0.148 CCCCCCCCCC(=O)C 1458a_100000070787_100000210670 [0,1,1,0,0,0|1,0,0]=3 3796 B11R0.148 CCCCCCCCCC(=O)C 1458a_100000210558_200000210301 [0,1,1,0,0,0|1,0,0]=3 3797 B11R0.148 CCCCCCCCCC(=O)[13CH3] 1458a_100000210558_200025704644 [0,1,1,0,0,0|1,0,0]=3 3798 B11R0.148 CCCCCCCCNC(=O)C 11a_100000229939_100015343762 [0,1,1,0,0,0|1,0,0]=3 3799 B11R0.148 CCCCCCCCNC(=O)C 1626a_100000229939_100015343762 [0,1,1,0,0,0|1,0,0]=3 3800 B11R0.148 CCCCCCCCNC(=O)C 240690a_100000229939_100015343762 [0,1,1,0,0,0|1,0,0]=3 3801 B11R0.148 CCCCCCCCNC(=O)C 527a_100000229939_100103153847 [0,1,1,0,0,0|1,0,0]=3 3802 B11R0.148 CCCCCCCNCC(=O)N 2230a_100000229938_100000747473 [0,1,1,0,0,0|1,0,0]=3 3803 B11R0.148 CCCCCCCNCC(=O)N 2230a_100000711301_100000210681 [0,1,1,0,0,0|1,0,0]=3 3804 B11R0.148 CCCCCCCNCC(=O)O 269956a_100016091260_100000210614 [0,1,1,0,0,0|0,0,0]=2 3805 B11R0.148 CCCCCCCNCC(C)O 2230a_100000210904_100000210681 [0,1,1,0,0,0|1,0,1]=4 3806 B11R0.148 CCCCCCCNCC(C)O 2230a_100000229938_100011218427 [0,1,1,0,0,0|1,0,1]=4 3807 B11R0.148 CCCCCCCNCC(C)O 34a_100000210904_100000210614 [0,1,1,0,0,0|1,0,1]=4 3808 B11R0.148 CCCCCCCNC[C@@H](C)O 2230a_100000229938_100009817552 [0,1,1,0,0,0|1,0,1]=4 3809 B11R0.148 CCCCCCCOCC(=O)C 34a_100000211253_100000210614 [0,1,1,0,0,0|1,0,0]=3 3810 B11R0.148 CCCCCCCOCC(=O)N 34a_100000210272_100000187820 [0,1,1,0,0,0|1,0,0]=3 3811 B11R0.148 CCCCCCCOCC(=O)N 7a_100000210272_100000187820 [0,1,1,0,0,0|1,0,0]=3 3812 B11R0.148 CCCCCCCOCC(=O)[O-] 34a_100000210272_100020667443 [0,1,1,0,0,0|0,0,1]=3 3813 B11R0.148 CCCCCCCOCC(C)O 34a_100000210272_100011218427 [0,1,1,0,0,0|1,0,1]=4 3814 B11R0.148 CCCCCCCOCC(C)O 7a_100000210272_100011218427 [0,1,1,0,0,0|1,0,1]=4 3815 B11R0.148 CCCCCCCOC[C@@H](C)O 34a_100000210272_100009817552 [0,1,1,0,0,0|1,0,1]=4 3816 B11R0.148 CCCCCCCOC[C@@H](C)O 7a_100000210272_100009817552 [0,1,1,0,0,0|1,0,1]=4 3817 B11R0.148 CCCCCCCOC[N+](=O)[O-] 34a_100000210272_100000761209 [0,1,1,0,0,0|1,0,1]=4 3818 B11R0.148 CCCCCCCSCC(=O)N 62a_100000210614_100000747473 [0,1,1,0,0,0|1,0,0]=3 3819 B11R0.148 CCCCCCCSCC(=O)N 62a_100000747473_100000210316 [0,1,1,0,0,0|1,0,0]=3 3820 B11R0.148 CCCCCCCSCC(=O)[O-] 62a_100000210614_100020667443 [0,1,1,0,0,0|0,0,1]=3 3821 B11R0.148 CCCCCCCSCC(=O)[O-] 62a_100020667443_100000210316 [0,1,1,0,0,0|0,0,1]=3 3822 B11R0.148 CCCCCCCSCC(C)O 62a_100000210614_100011218427 [0,1,1,0,0,0|1,0,1]=4 3823 B11R0.148 CCCCCCCSCC(C)O 62a_100011218427_100000210316 [0,1,1,0,0,0|1,0,1]=4 3824 B11R0.148 CCCCCCCSC[C@@H](C)O 62a_100000210614_100009817552 [0,1,1,0,0,0|1,0,1]=4 3825 B11R0.148 CCCCCCCSC[C@@H](C)O 62a_100009817552_100000210316 [0,1,1,0,0,0|1,0,1]=4 3826 B11R0.148 CCCCCCCSC[N+](=O)[O-] 62a_100000210614_100000761209 [0,1,1,0,0,0|1,0,1]=4 3827 B11R0.148 CCCCCCNCCC(=O)N 2230a_100000210581_100000744528 [0,1,1,0,0,0|1,0,0]=3 3828 B11R0.148 CCCCCCNCCC(C)O 2230a_100000210581_100012276601 [0,1,1,0,0,0|1,0,1]=4 3829 B11R0.148 CCCCCCNCCC(C)O 2230a_200000755665_100000210314 [0,1,1,0,0,0|1,0,1]=4 3830 B11R0.148 CCCCCCNOCC(=O)O 269956a_100000106656_100000210757 [0,1,1,0,0,0|1,0,0]=3 3831 B11R0.148 CCCCCCOCCC(=O)C 34a_100000759926_100000210314 [0,1,1,0,0,0|1,0,0]=3 3832 B11R0.148 CCCCCCOCCC(=O)C 7a_100000210259_100000053229 [0,1,1,0,0,0|1,0,0]=3 3833 B11R0.148 CCCCCCOCCC(=O)C 7a_100000759926_100000210314 [0,1,1,0,0,0|1,0,0]=3 3834 B11R0.148 CCCCCCOCCC(=O)N 34a_100000210259_100000731001 [0,1,1,0,0,0|1,0,0]=3 3835 B11R0.148 CCCCCCOCCC(=O)N 34a_100000757172_100000210314 [0,1,1,0,0,0|1,0,0]=3 3836 B11R0.148 CCCCCCOCCC(=O)N 7a_100000210259_100000744528 [0,1,1,0,0,0|1,0,0]=3 3837 B11R0.148 CCCCCCOCCC(=O)N 7a_100000757172_100000210314 [0,1,1,0,0,0|1,0,0]=3 3838 B11R0.148 CCCCCCOCCC(C)O 34a_100000210259_100012276601 [0,1,1,0,0,0|1,0,1]=4 3839 B11R0.148 CCCCCCOCCC(C)O 7a_100000210259_100012276601 [0,1,1,0,0,0|1,0,1]=4 3840 B11R0.148 CCCCCCOCOC(=O)C 34a_100000210259_100009813279 [0,1,1,0,0,0|2,0,0]=4 3841 B11R0.148 CCCCCCSCCC(=O)C 62a_100000053229_100000210757 [0,1,1,0,0,0|1,0,0]=3 3842 B11R0.148 CCCCCCSCCC(=O)C 62a_100000210314_100000053229 [0,1,1,0,0,0|1,0,0]=3 3843 B11R0.148 CCCCCCSCCC(=O)N 62a_100000210314_100000744528 [0,1,1,0,0,0|1,0,0]=3 3844 B11R0.148 CCCCCCSCCC(=O)N 62a_100000744528_100000210757 [0,1,1,0,0,0|1,0,0]=3 3845 B11R0.148 CCCCCCSCCC(C)O 62a_100000210314_100012276601 [0,1,1,0,0,0|1,0,1]=4 3846 B11R0.148 CCCCCCSCCC(C)O 62a_100012276601_100000210757 [0,1,1,0,0,0|1,0,1]=4 3847 B11R0.148 CCCCCCSCOC(=O)C 62a_100000076356_100000210757 [0,1,1,0,0,0|2,0,0]=4 3848 B11R0.148 CCCCCCSCOC(=O)C 62a_100000210314_100000076356 [0,1,1,0,0,0|2,0,0]=4 3849 B11R0.148 CCCCCNCCCC(=O)N 34a_100000739312_100000718602 [0,1,1,0,0,0|1,0,0]=3 3850 B11R0.148 CCCCCNCCCC(C)O 2230a_100000209983_200000718107 [0,1,1,0,0,0|1,0,1]=4 3851 B11R0.148 CCCCCNCCCS(=O)C 2230a_200000753449_100000210326 [0,1,1,0,0,0|2,0,0]=4 3852 B11R0.148 CCCCCNCCNC(=O)C 2230a_100000209853_100000210326 [0,1,1,0,0,0|2,0,0]=4 3853 B11R0.148 CCCCCNCCNC(=O)C 2230a_100000209983_100000189650 [0,1,1,0,0,0|2,0,0]=4 3854 B11R0.148 CCCCCNCCNC(=O)N 2230a_100000209983_200000034859 [0,1,1,0,0,0|2,0,0]=4 3855 B11R0.148 CCCCCNCCNC(=O)N 34a_100020590234_100000718602 [0,1,1,0,0,0|2,0,0]=4 3856 B11R0.148 CCCCCOCCCC(=O)C 34a_100000210253_100000685027 [0,1,1,0,0,0|1,0,0]=3 3857 B11R0.148 CCCCCOCCCC(=O)C 34a_100000759063_100000718602 [0,1,1,0,0,0|1,0,0]=3 3858 B11R0.148 CCCCCOCCCC(=O)C 7a_100000210253_100011215641 [0,1,1,0,0,0|1,0,0]=3 3859 B11R0.148 CCCCCOCCCC(=O)C 7a_100000759063_100000210326 [0,1,1,0,0,0|1,0,0]=3 3860 B11R0.148 CCCCCOCCCC(=O)N 34a_100000210253_100102525003 [0,1,1,0,0,0|1,0,0]=3 3861 B11R0.148 CCCCCOCCCC(=O)N 7a_100000210253_100102525003 [0,1,1,0,0,0|1,0,0]=3 3862 B11R0.148 CCCCCOCCCC(C)O 34a_100000210253_200000718107 [0,1,1,0,0,0|1,0,1]=4 3863 B11R0.148 CCCCCOCCCC(C)O 7a_100000210253_200000718107 [0,1,1,0,0,0|1,0,1]=4 3864 B11R0.148 CCCCCOCCC[N+](=O)[O-] 34a_200000037920_100000718602 [0,1,1,0,0,0|1,0,1]=4 3865 B11R0.148 CCCCCOCCNC(=O)C 34a_100000158858_100000718602 [0,1,1,0,0,0|2,0,0]=4 3866 B11R0.148 CCCCCOCCNC(=O)C 7a_100000210253_100000189650 [0,1,1,0,0,0|2,0,0]=4 3867 B11R0.148 CCCCCOCCNC(=O)N 34a_100000181757_100000718602 [0,1,1,0,0,0|2,0,0]=4 3868 B11R0.148 CCCCCOCCNC(=O)N 7a_100000210253_200000034859 [0,1,1,0,0,0|2,0,0]=4 3869 B11R0.148 CCCCCOCCOC(=O)C 34a_100000210253_100009814007 [0,1,1,0,0,0|2,0,0]=4 3870 B11R0.148 CCCCCOCCOC(=O)C 7a_100000210253_100009814007 [0,1,1,0,0,0|2,0,0]=4 3871 B11R0.148 CCCCCOCCOC(=O)N 34a_100000210253_200011214921 [0,1,1,0,0,0|2,0,0]=4 3872 B11R0.148 CCCCCOCCOC(=O)N 7a_100000210253_200011214921 [0,1,1,0,0,0|2,0,0]=4 3873 B11R0.148 CCCCCOCCOC(=O)N 7a_100000766696_100000210326 [0,1,1,0,0,0|2,0,0]=4 3874 B11R0.148 CCCCCSCCCC(=O)C 62a_100000210326_100011215641 [0,1,1,0,0,0|1,0,0]=3 3875 B11R0.148 CCCCCSCCCC(=O)C 62a_100011215641_100000210326 [0,1,1,0,0,0|1,0,0]=3 3876 B11R0.148 CCCCCSCCCC(=O)N 62a_100000210326_100102525003 [0,1,1,0,0,0|1,0,0]=3 3877 B11R0.148 CCCCCSCCCC(=O)N 62a_100102525003_100000210326 [0,1,1,0,0,0|1,0,0]=3 3878 B11R0.148 CCCCCSCCCC(C)O 62a_100000210326_200000718107 [0,1,1,0,0,0|1,0,1]=4 3879 B11R0.148 CCCCCSCCCC(C)O 62a_200000718107_100000210326 [0,1,1,0,0,0|1,0,1]=4 3880 B11R0.148 CCCCCSCCNC(=O)C 62a_100000189650_100000210326 [0,1,1,0,0,0|2,0,0]=4 3881 B11R0.148 CCCCCSCCNC(=O)C 62a_100000210326_100000189650 [0,1,1,0,0,0|2,0,0]=4 3882 B11R0.148 CCCCCSCCNC(=O)N 62a_100000210326_200000034859 [0,1,1,0,0,0|2,0,0]=4 3883 B11R0.148 CCCCCSCCNC(=O)N 62a_200000034859_100000210326 [0,1,1,0,0,0|2,0,0]=4 3884 B11R0.148 CCCCCSCCOC(=O)C 62a_100000210326_100009814007 [0,1,1,0,0,0|2,0,0]=4 3885 B11R0.148 CCCCCSCCOC(=O)C 62a_100009814007_100000210326 [0,1,1,0,0,0|2,0,0]=4 3886 B11R0.148 CCCCCSCCOC(=O)N 62a_100000210326_200011214921 [0,1,1,0,0,0|2,0,0]=4 3887 B11R0.148 CCCCCSCCOC(=O)N 62a_200011214921_100000210326 [0,1,1,0,0,0|2,0,0]=4 3888 B11R0.148 CCCCNCCCCB(O)O 2230a_100000102301_200009817182 [0,1,1,0,0,0|1,0,1]=4 3889 B11R0.148 CCCCNCCCCB(O)O 7a_106832991798_200009817182 [0,1,1,0,0,0|1,0,1]=4 3890 B11R0.148 CCCCNCCCCC(=O)C 7a_106832991798_100000735457 [0,1,1,0,0,0|1,0,0]=3 3891 B11R0.148 CCCCNCCCCC(=O)N 34a_100000696515_100000210210 [0,1,1,0,0,0|1,0,0]=3 3892 B11R0.148 CCCCNCCCNC(=O)C 34a_100000736810_100000210210 [0,1,1,0,0,0|2,0,0]=4 3893 B11R0.148 CCCCNCCCOC(=O)C 7a_106832991798_100000042594 [0,1,1,0,0,0|2,0,0]=4 3894 B11R0.148 CCCCNCCCSC(=O)C 2230a_100000102301_100000038929 [0,1,1,0,0,0|2,0,0]=4 3895 B11R0.148 CCCCNCCCSC(=O)C 7a_106832991798_100000038929 [0,1,1,0,0,0|2,0,0]=4 3896 B11R0.148 CCCCNCCOCC(=O)N 2230a_100000102301_100000076697 [0,1,1,0,0,0|2,0,0]=4 3897 B11R0.148 CCCCNCCOCC(=O)N 7a_106832991798_100000076697 [0,1,1,0,0,0|2,0,0]=4 3898 B11R0.148 CCCCNCCOCC(=O)O 269956a_100000700818_100000210211 [0,1,1,0,0,0|1,0,0]=3 3899 B11R0.148 CCCCOCCCCB(O)O 34a_100000210227_200009817182 [0,1,1,0,0,0|1,0,1]=4 3900 B11R0.148 CCCCOCCCCB(O)O 7a_100000210227_200009817182 [0,1,1,0,0,0|1,0,1]=4 3901 B11R0.148 CCCCOCCCCC(=O)C 34a_100000210227_100009817362 [0,1,1,0,0,0|1,0,0]=3 3902 B11R0.148 CCCCOCCCCC(=O)C 7a_100000210227_100000735457 [0,1,1,0,0,0|1,0,0]=3 3903 B11R0.148 CCCCOCCCCC(=O)N 34a_100012022536_100000210210 [0,1,1,0,0,0|1,0,0]=3 3904 B11R0.148 CCCCOCCCCC(=O)N 7a_100012022536_100000210211 [0,1,1,0,0,0|1,0,0]=3 3905 B11R0.148 CCCCOCCCC[N+](=O)[O-] 34a_200015379883_100000210210 [0,1,1,0,0,0|1,0,1]=4 3906 B11R0.148 CCCCOCCCC[N+](=O)[O-] 7a_200015379883_100000210211 [0,1,1,0,0,0|1,0,1]=4 3907 B11R0.148 CCCCOCCCNC(=O)C 1626a_200000211371_100015343762 [0,1,1,0,0,0|2,0,0]=4 3908 B11R0.148 CCCCOCCCNC(=O)C 240690a_200000211371_100015343762 [0,1,1,0,0,0|2,0,0]=4 3909 B11R0.148 CCCCOCCCNC(=O)C 34a_100000752032_100000210210 [0,1,1,0,0,0|2,0,0]=4 3910 B11R0.148 CCCCOCCCNC(=O)C 527a_200000211371_100103153847 [0,1,1,0,0,0|2,0,0]=4 3911 B11R0.148 CCCCOCCCOC(=O)C 34a_100000210227_100000042594 [0,1,1,0,0,0|2,0,0]=4 3912 B11R0.148 CCCCOCCCOC(=O)C 7a_100000210227_100000042594 [0,1,1,0,0,0|2,0,0]=4 3913 B11R0.148 CCCCOCCCSC(=O)C 34a_100000210227_100000038929 [0,1,1,0,0,0|2,0,0]=4 3914 B11R0.148 CCCCOCCCSC(=O)C 7a_100000210227_100000038929 [0,1,1,0,0,0|2,0,0]=4 3915 B11R0.148 CCCCOCCNCC(=O)N 2230a_100000711301_100000743108 [0,1,1,0,0,0|2,0,0]=4 3916 B11R0.148 CCCCOCCNCC(=O)O 269956a_100016091260_100000743108 [0,1,1,0,0,0|1,0,0]=3 3917 B11R0.148 CCCCOCCOCC(=O)C 1458a_100011216887_200000210301 [0,1,1,0,0,0|2,0,0]=4 3918 B11R0.148 CCCCOCCOCC(=O)C 34a_100000211253_100000743108 [0,1,1,0,0,0|2,0,0]=4 3919 B11R0.148 CCCCOCCOCC(=O)N 34a_100000210227_100000076697 [0,1,1,0,0,0|2,0,0]=4 3920 B11R0.148 CCCCOCCOCC(=O)N 34a_100000210238_100000187820 [0,1,1,0,0,0|2,0,0]=4 3921 B11R0.148 CCCCOCCOCC(=O)N 7a_100000210227_100000076697 [0,1,1,0,0,0|2,0,0]=4 3922 B11R0.148 CCCCOCCOCC(=O)N 7a_100000210238_100000187820 [0,1,1,0,0,0|2,0,0]=4 3923 B11R0.148 CCCCOCCOCC(=O)[13CH3] 1458a_100011216887_200025704644 [0,1,1,0,0,0|2,0,0]=4 3924 B11R0.148 CCCCOCCOCC(=O)[O-] 34a_100000210238_100020667443 [0,1,1,0,0,0|1,0,1]=4 3925 B11R0.148 CCCCOCCSCC(=O)N 62a_100000743108_100000747473 [0,1,1,0,0,0|2,0,0]=4 3926 B11R0.148 CCCCOCCSCC(=O)N 62a_100000747473_100000743108 [0,1,1,0,0,0|2,0,0]=4 3927 B11R0.148 CCCCOCCSCC(=O)[O-] 62a_100000743108_100020667443 [0,1,1,0,0,0|1,0,1]=4 3928 B11R0.148 CCCCOCCSCC(=O)[O-] 62a_100020667443_100000743108 [0,1,1,0,0,0|1,0,1]=4 3929 B11R0.148 CCCCOCNOCC(=O)O 269956a_100000106656_100011995733 [0,1,1,0,0,0|2,0,0]=4 3930 B11R0.148 CCCCOCOCCC(=O)C 34a_100000759926_100011995733 [0,1,1,0,0,0|2,0,0]=4 3931 B11R0.148 CCCCOCOCCC(=O)N 34a_100000757172_100011995733 [0,1,1,0,0,0|2,0,0]=4 3932 B11R0.148 CCCCOCSCCC(=O)C 62a_100000053229_100011995733 [0,1,1,0,0,0|2,0,0]=4 3933 B11R0.148 CCCCOCSCCC(=O)C 62a_100011995733_100000053229 [0,1,1,0,0,0|2,0,0]=4 3934 B11R0.148 CCCCOCSCCC(=O)N 62a_100000744528_100011995733 [0,1,1,0,0,0|2,0,0]=4 3935 B11R0.148 CCCCOCSCCC(=O)N 62a_100011995733_100000744528 [0,1,1,0,0,0|2,0,0]=4 3936 B11R0.148 CCCCSCCCCB(O)O 62a_100000210211_200009817182 [0,1,1,0,0,0|1,0,1]=4 3937 B11R0.148 CCCCSCCCCB(O)O 62a_200009817182_100000210210 [0,1,1,0,0,0|1,0,1]=4 3938 B11R0.148 CCCCSCCCCC(=O)C 62a_100000210211_100000735457 [0,1,1,0,0,0|1,0,0]=3 3939 B11R0.148 CCCCSCCCCC(=O)C 62a_100000735457_100000210210 [0,1,1,0,0,0|1,0,0]=3 3940 B11R0.148 CCCCSCCCOC(=O)C 62a_100000042594_100000210210 [0,1,1,0,0,0|2,0,0]=4 3941 B11R0.148 CCCCSCCCOC(=O)C 62a_100000210211_100000042594 [0,1,1,0,0,0|2,0,0]=4 3942 B11R0.148 CCCCSCCCSC(=O)C 62a_100000038929_100000210210 [0,1,1,0,0,0|2,0,0]=4 3943 B11R0.148 CCCCSCCCSC(=O)C 62a_100000210211_100000038929 [0,1,1,0,0,0|2,0,0]=4 3944 B11R0.148 CCCCSCCNCC(=O)N 2230a_100025743550_100000747473 [0,1,1,0,0,0|2,0,0]=4 3945 B11R0.148 CCCCSCCOCC(=O)N 34a_200000230436_100000187820 [0,1,1,0,0,0|2,0,0]=4 3946 B11R0.148 CCCCSCCOCC(=O)N 62a_100000076697_100000210210 [0,1,1,0,0,0|2,0,0]=4 3947 B11R0.148 CCCCSCCOCC(=O)N 62a_100000210211_100000076697 [0,1,1,0,0,0|2,0,0]=4 3948 B11R0.148 CCCCSCCOCC(=O)N 7a_200000230436_100000187820 [0,1,1,0,0,0|2,0,0]=4 3949 B11R0.148 CCCCSCCOCC(=O)[O-] 34a_200000230436_100020667443 [0,1,1,0,0,0|1,0,1]=4 3950 B11R0.148 CCCNCCCCNC(=O)C 2230a_200011368371_100000210303 [0,1,1,0,0,0|2,0,0]=4 3951 B11R0.148 CCCNCCCCNC(=O)C 34a_200011368371_100000210303 [0,1,1,0,0,0|2,0,0]=4 3952 B11R0.148 CCCOCCCCCB(O)O 34a_100000210258_200009817188 [0,1,1,0,0,0|1,0,1]=4 3953 B11R0.148 CCCOCCCCCC(=O)N 34a_100000123541_100000210303 [0,1,1,0,0,0|1,0,0]=3 3954 B11R0.148 CCCOCCCCCC(=O)N 34a_100000210258_100009817443 [0,1,1,0,0,0|1,0,0]=3 3955 B11R0.148 CCCOCCCCCC(=O)N 7a_100000123541_100000210303 [0,1,1,0,0,0|1,0,0]=3 3956 B11R0.148 CCCOCCCCCC(=O)[O-] 7a_100102619762_100000210303 [0,1,1,0,0,0|0,0,1]=3 3957 B11R0.148 CCCOCCCCOC(=O)C 34a_100000073216_100000210303 [0,1,1,0,0,0|2,0,0]=4 3958 B11R0.148 CCCOCCCCOC(=O)C 34a_100000210258_100000033659 [0,1,1,0,0,0|2,0,0]=4 3959 B11R0.148 CCCOCCCCOC(=O)C 7a_100000073216_100000210303 [0,1,1,0,0,0|2,0,0]=4 3960 B11R0.148 CCCOCCCCSC(=O)C 34a_100000210258_200010402107 [0,1,1,0,0,0|2,0,0]=4 3961 B11R0.148 CCCOCCCNCC(=O)N 2230a_100011217757_100000747473 [0,1,1,0,0,0|2,0,0]=4 3962 B11R0.148 CCCOCCCNCC(=O)N 34a_100011217757_100000187820 [0,1,1,0,0,0|2,0,0]=4 3963 B11R0.148 CCCOCCCNCC(=O)[O-] 34a_100011217757_100020667443 [0,1,1,0,0,0|1,0,1]=4 3964 B11R0.148 CCCOCCNCCC(=O)N 2230a_100161115042_100000744528 [0,1,1,0,0,0|2,0,0]=4 3965 B11R0.148 CCCOCCNCCC(=O)N 34a_100161115042_100000731001 [0,1,1,0,0,0|2,0,0]=4 3966 B11R0.148 CCCOCCNOCC(=O)O 269956a_100000106656_100011215938 [0,1,1,0,0,0|2,0,0]=4 3967 B11R0.148 CCCOCCOCCC(=O)C 34a_100000759926_100011215938 [0,1,1,0,0,0|2,0,0]=4 3968 B11R0.148 CCCOCCOCCC(=O)C 7a_100000752267_100000053229 [0,1,1,0,0,0|2,0,0]=4 3969 B11R0.148 CCCOCCOCCC(=O)C 7a_100000759926_100011215938 [0,1,1,0,0,0|2,0,0]=4 3970 B11R0.148 CCCOCCOCCC(=O)N 34a_100000752267_100000731001 [0,1,1,0,0,0|2,0,0]=4 3971 B11R0.148 CCCOCCOCCC(=O)N 34a_100000757172_100011215938 [0,1,1,0,0,0|2,0,0]=4 3972 B11R0.148 CCCOCCOCCC(=O)N 7a_100000752267_100000744528 [0,1,1,0,0,0|2,0,0]=4 3973 B11R0.148 CCCOCCOCCC(=O)N 7a_100000757172_100011215938 [0,1,1,0,0,0|2,0,0]=4 3974 B11R0.148 CCCOCCSCCC(=O)C 62a_100000053229_100011215938 [0,1,1,0,0,0|2,0,0]=4 3975 B11R0.148 CCCOCCSCCC(=O)C 62a_100011215938_100000053229 [0,1,1,0,0,0|2,0,0]=4 3976 B11R0.148 CCCOCCSCCC(=O)N 62a_100000744528_100011215938 [0,1,1,0,0,0|2,0,0]=4 3977 B11R0.148 CCCOCCSCCC(=O)N 62a_100011215938_100000744528 [0,1,1,0,0,0|2,0,0]=4 3978 B11R0.148 CCCSCCCCCB(O)O 62a_100000210303_200009817188 [0,1,1,0,0,0|1,0,1]=4 3979 B11R0.148 CCCSCCCCCB(O)O 62a_200009817188_100000210303 [0,1,1,0,0,0|1,0,1]=4 3980 B11R0.148 CCCSCCCCCC(=O)N 62a_100000210303_100009817443 [0,1,1,0,0,0|1,0,0]=3 3981 B11R0.148 CCCSCCCCCC(=O)N 62a_100009817443_100000210303 [0,1,1,0,0,0|1,0,0]=3 3982 B11R0.148 CCCSCCCCOC(=O)C 62a_100000033659_100000210303 [0,1,1,0,0,0|2,0,0]=4 3983 B11R0.148 CCCSCCCCOC(=O)C 62a_100000210303_100000033659 [0,1,1,0,0,0|2,0,0]=4 3984 B11R0.148 CCCSCCCCSC(=O)C 62a_100000210303_200010402107 [0,1,1,0,0,0|2,0,0]=4 3985 B11R0.148 CCCSCCCCSC(=O)C 62a_200010402107_100000210303 [0,1,1,0,0,0|2,0,0]=4 3986 B11R0.148 CCCSCCNCCC(=O)N 2230a_100020603323_100000744528 [0,1,1,0,0,0|2,0,0]=4 3987 B11R0.148 CCCSCCOCCC(=O)C 7a_200000230433_100000053229 [0,1,1,0,0,0|2,0,0]=4 3988 B11R0.148 CCCSCCOCCC(=O)N 34a_200000230433_100000731001 [0,1,1,0,0,0|2,0,0]=4 3989 B11R0.148 CCCSCCOCCC(=O)N 7a_200000230433_100000744528 [0,1,1,0,0,0|2,0,0]=4 3990 B11R0.148 CCNCCCCCCB(O)O 2230a_100015525214_100009817187 [0,1,1,0,0,0|1,0,1]=4 3991 B11R0.148 CCNCCCCCNC(=O)C 2230a_200012022750_100000210202 [0,1,1,0,0,0|2,0,0]=4 3992 B11R0.148 CCNCCCCCNC(=O)C 34a_200012022750_100000210202 [0,1,1,0,0,0|2,0,0]=4 3993 B11R0.148 CCNCCCCCOC(=O)C 2230a_100015525214_100009813381 [0,1,1,0,0,0|2,0,0]=4 3994 B11R0.148 CCOCCCCCCB(O)O 34a_100121572206_100009817187 [0,1,1,0,0,0|1,0,1]=4 3995 B11R0.148 CCOCCCCCOC(=O)C 34a_100121572206_100000033007 [0,1,1,0,0,0|2,0,0]=4 3996 B11R0.148 CCOCCCNCCC(=O)N 2230a_100000210961_100000744528 [0,1,1,0,0,0|2,0,0]=4 3997 B11R0.148 CCOCCCNCCC(=O)N 34a_100000210961_100000731001 [0,1,1,0,0,0|2,0,0]=4 3998 B11R0.148 CCOCCCNOCC(=O)O 269956a_100000106656_100012232248 [0,1,1,0,0,0|2,0,0]=4 3999 B11R0.148 CCOCCCOCCC(=O)C 34a_100000759926_100012232248 [0,1,1,0,0,0|2,0,0]=4 4000 B11R0.148 CCOCCCOCCC(=O)C 7a_100000757476_100000053229 [0,1,1,0,0,0|2,0,0]=4 4001 B11R0.148 CCOCCCOCCC(=O)C 7a_100000759926_100012232248 [0,1,1,0,0,0|2,0,0]=4 4002 B11R0.148 CCOCCCOCCC(=O)N 34a_100000757172_100012232248 [0,1,1,0,0,0|2,0,0]=4 4003 B11R0.148 CCOCCCOCCC(=O)N 34a_100000757476_100000731001 [0,1,1,0,0,0|2,0,0]=4 4004 B11R0.148 CCOCCCOCCC(=O)N 7a_100000757172_100012232248 [0,1,1,0,0,0|2,0,0]=4 4005 B11R0.148 CCOCCCOCCC(=O)N 7a_100000757476_100000744528 [0,1,1,0,0,0|2,0,0]=4 4006 B11R0.148 CCOCCCSCCC(=O)C 62a_100000053229_100012232248 [0,1,1,0,0,0|2,0,0]=4 4007 B11R0.148 CCOCCCSCCC(=O)C 62a_100012232248_100000053229 [0,1,1,0,0,0|2,0,0]=4 4008 B11R0.148 CCOCCCSCCC(=O)N 62a_100000744528_100012232248 [0,1,1,0,0,0|2,0,0]=4 4009 B11R0.148 CCOCCCSCCC(=O)N 62a_100012232248_100000744528 [0,1,1,0,0,0|2,0,0]=4 4010 B11R0.148 CCOCCNCCCC(=O)C 34a_102516460346_100000685027 [0,1,1,0,0,0|2,0,0]=4 4011 B11R0.148 CCOCCNCCCC(=O)N 34a_100000739312_100000210147 [0,1,1,0,0,0|2,0,0]=4 4012 B11R0.148 CCOCCNCCCC(=O)N 34a_102516460346_100102525003 [0,1,1,0,0,0|2,0,0]=4 4013 B11R0.148 CCOCCOCCCC(=O)C 34a_100000210136_100000685027 [0,1,1,0,0,0|2,0,0]=4 4014 B11R0.148 CCOCCOCCCC(=O)C 34a_100000759063_100000210147 [0,1,1,0,0,0|2,0,0]=4 4015 B11R0.148 CCOCCOCCCC(=O)C 7a_100000210136_100011215641 [0,1,1,0,0,0|2,0,0]=4 4016 B11R0.148 CCOCCOCCCC(=O)C 7a_100000759063_100011215890 [0,1,1,0,0,0|2,0,0]=4 4017 B11R0.148 CCOCCOCCCC(=O)N 34a_100000210136_100102525003 [0,1,1,0,0,0|2,0,0]=4 4018 B11R0.148 CCOCCOCCCC(=O)N 7a_100000210136_100102525003 [0,1,1,0,0,0|2,0,0]=4 4019 B11R0.148 CCOCCSCCCC(=O)C 62a_100000210147_100011215641 [0,1,1,0,0,0|2,0,0]=4 4020 B11R0.148 CCOCCSCCCC(=O)C 62a_100011215641_100011215890 [0,1,1,0,0,0|2,0,0]=4 4021 B11R0.148 CCOCCSCCCC(=O)N 62a_100000210147_100102525003 [0,1,1,0,0,0|2,0,0]=4 4022 B11R0.148 CCOCCSCCCC(=O)N 62a_100102525003_100011215890 [0,1,1,0,0,0|2,0,0]=4 4023 B11R0.148 CCOCNCCOCC(=O)O 269956a_100000700818_100000739092 [0,1,1,0,0,0|2,0,0]=4 4024 B11R0.148 CCOCSCCCCC(=O)C 62a_100000735457_100000739092 [0,1,1,0,0,0|2,0,0]=4 4025 B11R0.148 CCOCSCCCCC(=O)C 62a_100000739092_100000735457 [0,1,1,0,0,0|2,0,0]=4 4026 B11R0.148 CCSCCCCCCB(O)O 62a_100000210202_100009817187 [0,1,1,0,0,0|1,0,1]=4 4027 B11R0.148 CCSCCCCCCB(O)O 62a_100009817187_100000210202 [0,1,1,0,0,0|1,0,1]=4 4028 B11R0.148 CCSCCCCCOC(=O)C 62a_100000033007_100000210202 [0,1,1,0,0,0|2,0,0]=4 4029 B11R0.148 CCSCCCCCOC(=O)C 62a_100000210202_100000033007 [0,1,1,0,0,0|2,0,0]=4 4030 B11R0.148 CCSCCCOCCC(=O)C 7a_100011216438_100000053229 [0,1,1,0,0,0|2,0,0]=4 4031 B11R0.148 CCSCCCOCCC(=O)N 34a_100011216438_100000731001 [0,1,1,0,0,0|2,0,0]=4 4032 B11R0.148 CCSCCCOCCC(=O)N 7a_100011216438_100000744528 [0,1,1,0,0,0|2,0,0]=4 4033 B11R0.148 CCSCCNCCCC(=O)N 34a_100000739312_100000757381 [0,1,1,0,0,0|2,0,0]=4 4034 B11R0.148 CCSCCOCCCC(=O)C 34a_100000212035_100000685027 [0,1,1,0,0,0|2,0,0]=4 4035 B11R0.148 CCSCCOCCCC(=O)C 34a_100000759063_100000757381 [0,1,1,0,0,0|2,0,0]=4 4036 B11R0.148 CCSCCOCCCC(=O)C 7a_100000212035_100011215641 [0,1,1,0,0,0|2,0,0]=4 4037 B11R0.148 CCSCCOCCCC(=O)C 7a_100000759063_100000757381 [0,1,1,0,0,0|2,0,0]=4 4038 B11R0.148 CCSCCOCCCC(=O)N 34a_100000212035_100102525003 [0,1,1,0,0,0|2,0,0]=4 4039 B11R0.148 CCSCCOCCCC(=O)N 7a_100000212035_100102525003 [0,1,1,0,0,0|2,0,0]=4 4040 B11R0.148 CCSCCSCCCC(=O)C 62a_100000757381_100011215641 [0,1,1,0,0,0|2,0,0]=4 4041 B11R0.148 CCSCCSCCCC(=O)C 62a_100011215641_100000757381 [0,1,1,0,0,0|2,0,0]=4 4042 B11R0.148 CCSCCSCCCC(=O)N 62a_100000757381_100102525003 [0,1,1,0,0,0|2,0,0]=4 4043 B11R0.148 CCSCCSCCCC(=O)N 62a_100102525003_100000757381 [0,1,1,0,0,0|2,0,0]=4 4044 B11R0.148 CNCCCCCCNC(=O)C 2230a_200011996284_200000210301 [0,1,1,0,0,0|2,0,0]=4 4045 B11R0.148 CNCCCCCCNC(=O)C 34a_200011996284_200000210301 [0,1,1,0,0,0|2,0,0]=4 4046 B11R0.148 CNCCCCCOCC(=O)N 34a_100000722520_100000187820 [0,1,1,0,0,0|2,0,0]=4 4047 B11R0.148 CNCCCCCOCC(=O)[O-] 34a_100000722520_100020667443 [0,1,1,0,0,0|1,0,1]=4 4048 B11R0.148 CNCCCOCCCC(=O)C 34a_100000213112_100000685027 [0,1,1,0,0,0|2,0,0]=4 4049 B11R0.148 CNCCCOCCCC(=O)N 34a_100000213112_100102525003 [0,1,1,0,0,0|2,0,0]=4 4050 B11R0.148 CNCCOCCOCC(=O)O 269956a_100009854275_200000210301 [0,1,1,0,0,0|2,0,0]=4 4051 B11R0.148 COCCCCCNCC(=O)N 2230a_100000747528_100000747473 [0,1,1,0,0,0|2,0,0]=4 4052 B11R0.148 COCCCCCNCC(=O)N 34a_100000747528_100000187820 [0,1,1,0,0,0|2,0,0]=4 4053 B11R0.148 COCCCCCNCC(=O)[O-] 34a_100000747528_100020667443 [0,1,1,0,0,0|1,0,1]=4 4054 B11R0.148 COCCCCNOCC(=O)O 269956a_100000106656_100000730899 [0,1,1,0,0,0|2,0,0]=4 4055 B11R0.148 COCCCCOCCC(=O)C 34a_100000759926_100000755781 [0,1,1,0,0,0|2,0,0]=4 4056 B11R0.148 COCCCCOCCC(=O)C 7a_100000759926_100000730899 [0,1,1,0,0,0|2,0,0]=4 4057 B11R0.148 COCCCCOCCC(=O)N 34a_100000740925_100000731001 [0,1,1,0,0,0|2,0,0]=4 4058 B11R0.148 COCCCCOCCC(=O)N 34a_100000757172_100000755781 [0,1,1,0,0,0|2,0,0]=4 4059 B11R0.148 COCCCCOCCC(=O)N 7a_100000757172_100000730899 [0,1,1,0,0,0|2,0,0]=4 4060 B11R0.148 COCCCCSCCC(=O)C 62a_100000053229_100000730899 [0,1,1,0,0,0|2,0,0]=4 4061 B11R0.148 COCCCCSCCC(=O)C 62a_100000730899_100000053229 [0,1,1,0,0,0|2,0,0]=4 4062 B11R0.148 COCCCCSCCC(=O)N 62a_100000730899_100000744528 [0,1,1,0,0,0|2,0,0]=4 4063 B11R0.148 COCCCCSCCC(=O)N 62a_100000744528_100000730899 [0,1,1,0,0,0|2,0,0]=4 4064 B11R0.148 COCCCNCCCC(=O)C 34a_100150723488_100000685027 [0,1,1,0,0,0|2,0,0]=4 4065 B11R0.148 COCCCNCCCC(=O)N 34a_100000739312_100000740836 [0,1,1,0,0,0|2,0,0]=4 4066 B11R0.148 COCCCNCCCC(=O)N 34a_100150723488_100102525003 [0,1,1,0,0,0|2,0,0]=4 4067 B11R0.148 COCCCOCCCC(=O)C 34a_100000740835_100000685027 [0,1,1,0,0,0|2,0,0]=4 4068 B11R0.148 COCCCOCCCC(=O)C 34a_100000759063_100000740836 [0,1,1,0,0,0|2,0,0]=4 4069 B11R0.148 COCCCOCCCC(=O)C 7a_100000759063_100000740836 [0,1,1,0,0,0|2,0,0]=4 4070 B11R0.148 COCCCOCCCC(=O)N 34a_100000740835_100102525003 [0,1,1,0,0,0|2,0,0]=4 4071 B11R0.148 COCCCSCCCC(=O)C 62a_100000709357_100011215641 [0,1,1,0,0,0|2,0,0]=4 4072 B11R0.148 COCCCSCCCC(=O)C 62a_100011215641_100000709357 [0,1,1,0,0,0|2,0,0]=4 4073 B11R0.148 COCCCSCCCC(=O)N 62a_100000709357_100102525003 [0,1,1,0,0,0|2,0,0]=4 4074 B11R0.148 COCCCSCCCC(=O)N 62a_100102525003_100000709357 [0,1,1,0,0,0|2,0,0]=4 4075 B11R0.148 COCCNCCCCC(=O)N 34a_100000696515_100011201679 [0,1,1,0,0,0|2,0,0]=4 4076 B11R0.148 COCCNCCOCC(=O)O 269956a_100000700818_100000233755 [0,1,1,0,0,0|2,0,0]=4 4077 B11R0.148 COCCOCCCCC(=O)C 34a_100000210237_100009817362 [0,1,1,0,0,0|2,0,0]=4 4078 B11R0.148 COCCOCCCCC(=O)N 34a_100012022536_100011201679 [0,1,1,0,0,0|2,0,0]=4 4079 B11R0.148 COCCOCCCCC(=O)N 7a_100012022536_100000233755 [0,1,1,0,0,0|2,0,0]=4 4080 B11R0.148 COCCOCCNCC(=O)O 269956a_100016091260_100000695917 [0,1,1,0,0,0|2,0,0]=4 4081 B11R0.148 COCCSCCCCC(=O)C 62a_100000233755_100000735457 [0,1,1,0,0,0|2,0,0]=4 4082 B11R0.148 COCCSCCCCC(=O)C 62a_100000735457_100000233755 [0,1,1,0,0,0|2,0,0]=4 4083 B11R0.148 COCSCCCCCC(=O)N 62a_100000766300_100009817443 [0,1,1,0,0,0|2,0,0]=4 4084 B11R0.148 COCSCCCCCC(=O)N 62a_100009817443_100000766300 [0,1,1,0,0,0|2,0,0]=4 4085 B11R0.148 CSCCCCOCCC(=O)C 7a_100011217163_100000053229 [0,1,1,0,0,0|2,0,0]=4 4086 B11R0.148 CSCCCCOCCC(=O)N 34a_100011217163_100000731001 [0,1,1,0,0,0|2,0,0]=4 4087 B11R0.148 CSCCCCOCCC(=O)N 7a_100011217163_100000744528 [0,1,1,0,0,0|2,0,0]=4 4088 B11R0.148 CSCCCOCCCC(=O)C 34a_100000690336_100000685027 [0,1,1,0,0,0|2,0,0]=4 4089 B11R0.148 CSCCCOCCCC(=O)C 7a_100000690336_100011215641 [0,1,1,0,0,0|2,0,0]=4 4090 B11R0.148 CSCCCOCCCC(=O)N 34a_100000690336_100102525003 [0,1,1,0,0,0|2,0,0]=4 4091 B11R0.148 CSCCCOCCCC(=O)N 7a_100000690336_100102525003 [0,1,1,0,0,0|2,0,0]=4 4092 B11R0.148 CSCCNCCCCC(=O)N 34a_100000696515_100000212216 [0,1,1,0,0,0|2,0,0]=4 4093 B11R0.148 CSCCNCCOCC(=O)O 269956a_100000700818_100000212216 [0,1,1,0,0,0|2,0,0]=4 4094 B11R0.148 CSCCOCCCCC(=O)C 34a_100000230434_100009817362 [0,1,1,0,0,0|2,0,0]=4 4095 B11R0.148 CSCCOCCCCC(=O)C 7a_100000230434_100000735457 [0,1,1,0,0,0|2,0,0]=4 4096 B11R0.148 CSCCOCCCCC(=O)N 34a_100012022536_100000212216 [0,1,1,0,0,0|2,0,0]=4 4097 B11R0.148 CSCCOCCCCC(=O)N 7a_100012022536_100000212216 [0,1,1,0,0,0|2,0,0]=4 4098 B11R0.148 CSCCSCCCCC(=O)C 62a_100000212216_100000735457 [0,1,1,0,0,0|2,0,0]=4 4099 B11R0.148 CSCCSCCCCC(=O)C 62a_100000735457_100000751147 [0,1,1,0,0,0|2,0,0]=4 4100 B11R0.148 CSCOCCCCCC(=O)N 34a_100000123541_100011218213 [0,1,1,0,0,0|2,0,0]=4 4101 B11R0.148 CSCSCCCCCC(=O)N 62a_100009817443_100011218213 [0,1,1,0,0,0|2,0,0]=4 4102 B11R0.148 CSCSCCCCCC(=O)N 62a_100011218213_100009817443 [0,1,1,0,0,0|2,0,0]=4 4103 B11R0.148 N#CCCCCCNCC(=O)O 269956a_100016091260_100009813376 [0,1,1,0,0,0|1,0,1]=4 4104 B11R0.148 NC(=O)CCCCCNCCF 34a_100000724931_100009817443 [0,1,1,0,0,0|2,0,0]=4 4105 B11R0.148 NC(=O)CCCCCNCCO 2230a_100016997473_100009817443 [0,1,1,0,0,0|2,0,0]=4 4106 B11R0.148 NC(=O)CCCCCNCCO 34a_100016990907_100009817443 [0,1,1,0,0,0|2,0,0]=4 4107 B11R0.148 NC(=O)CCCCCOCCBr 34a_100000211926_100009817443 [0,1,1,0,0,0|2,0,0]=4 4108 B11R0.148 NC(=O)CCCCCOCCF 34a_100000123541_100011217306 [0,1,1,0,0,0|2,0,0]=4 4109 B11R0.148 NC(=O)CCCCCOCCF 7a_100000123541_100011217306 [0,1,1,0,0,0|2,0,0]=4 4110 B11R0.148 NC(=O)CCCCCOCCO 34a_100000123541_100000211926 [0,1,1,0,0,0|2,0,0]=4 4111 B11R0.148 NC(=O)CCCCCOCCO 7a_100000123541_100000211926 [0,1,1,0,0,0|2,0,0]=4 4112 B11R0.148 NC(=O)CCCCCSCCF 62a_100009817443_100011217306 [0,1,1,0,0,0|2,0,0]=4 4113 B11R0.148 NC(=O)CCCCCSCCF 62a_100011217306_100009817443 [0,1,1,0,0,0|2,0,0]=4 4114 B11R0.148 NC(=O)CCCCCSCCO 62a_100000211926_100009817443 [0,1,1,0,0,0|2,0,0]=4 4115 B11R0.148 NC(=O)CCCCCSCCO 62a_100009817443_100000211926 [0,1,1,0,0,0|2,0,0]=4 4116 B11R0.148 NC(=O)CCCCNCCCF 34a_100000696515_100011934791 [0,1,1,0,0,0|2,0,0]=4 4117 B11R0.148 NC(=O)CCCCNCCCO 34a_100000696515_100000230001 [0,1,1,0,0,0|2,0,0]=4 4118 B11R0.148 NC(=O)CCCCOCCCF 34a_100012022536_100011934791 [0,1,1,0,0,0|2,0,0]=4 4119 B11R0.148 NC(=O)CCCCOCCCF 7a_100012022536_100011934791 [0,1,1,0,0,0|2,0,0]=4 4120 B11R0.148 NC(=O)CCCCOCCCO 34a_100012022536_100000230001 [0,1,1,0,0,0|2,0,0]=4 4121 B11R0.148 NC(=O)CCCCOCCCO 7a_100012022536_100011215043 [0,1,1,0,0,0|2,0,0]=4 4122 B11R0.148 NC(=O)CCCNCCCCF 34a_100000739312_100000729493 [0,1,1,0,0,0|2,0,0]=4 4123 B11R0.148 NC(=O)CCCNCCCCO 34a_100000739312_100011216708 [0,1,1,0,0,0|2,0,0]=4 4124 B11R0.148 NC(=O)CCCNCCCCO 34a_100000750430_100102525003 [0,1,1,0,0,0|2,0,0]=4 4125 B11R0.148 NC(=O)CCCOCCCCBr 34a_100011216708_100102525003 [0,1,1,0,0,0|2,0,0]=4 4126 B11R0.148 NC(=O)CCCOCCCCCl 34a_100000210776_100102525003 [0,1,1,0,0,0|2,0,0]=4 4127 B11R0.148 NC(=O)CCCOCCCCCl 7a_100000210776_100102525003 [0,1,1,0,0,0|2,0,0]=4 4128 B11R0.148 NC(=O)CCCOCCCCF 34a_100011995726_100102525003 [0,1,1,0,0,0|2,0,0]=4 4129 B11R0.148 NC(=O)CCCOCCCCF 7a_100011995726_100102525003 [0,1,1,0,0,0|2,0,0]=4 4130 B11R0.148 NC(=O)CCCOCCCCI 34a_200012148704_100102525003 [0,1,1,0,0,0|2,0,0]=4 4131 B11R0.148 NC(=O)CCCSCCCCF 62a_100000729493_100102525003 [0,1,1,0,0,0|2,0,0]=4 4132 B11R0.148 NC(=O)CCCSCCCCF 62a_100102525003_100000729493 [0,1,1,0,0,0|2,0,0]=4 4133 B11R0.148 NC(=O)CCCSCCCCO 62a_100000210776_100102525003 [0,1,1,0,0,0|2,0,0]=4 4134 B11R0.148 NC(=O)CCCSCCCCO 62a_100102525003_100000210776 [0,1,1,0,0,0|2,0,0]=4 4135 B11R0.148 NC(=O)CCNCCCCCO 2230a_100000762737_100000744528 [0,1,1,0,0,0|2,0,0]=4 4136 B11R0.148 NC(=O)CCNCCCCCO 34a_100000762737_100000731001 [0,1,1,0,0,0|2,0,0]=4 4137 B11R0.148 NC(=O)CCOCCCCCBr 34a_100000746331_100000731001 [0,1,1,0,0,0|2,0,0]=4 4138 B11R0.148 NC(=O)CCOCCCCCBr 7a_100000746331_100000744528 [0,1,1,0,0,0|2,0,0]=4 4139 B11R0.148 NC(=O)CCOCCCCCCl 34a_100000746330_100000731001 [0,1,1,0,0,0|2,0,0]=4 4140 B11R0.148 NC(=O)CCOCCCCCCl 7a_100000746330_100000744528 [0,1,1,0,0,0|2,0,0]=4 4141 B11R0.148 NC(=O)CCOCCCCCF 34a_100000757172_100000729378 [0,1,1,0,0,0|2,0,0]=4 4142 B11R0.148 NC(=O)CCOCCCCCF 7a_100000757172_100000729378 [0,1,1,0,0,0|2,0,0]=4 4143 B11R0.148 NC(=O)CCOCCCCCI 34a_200012148887_100000731001 [0,1,1,0,0,0|2,0,0]=4 4144 B11R0.148 NC(=O)CCOCCCCCI 7a_200012148887_100000744528 [0,1,1,0,0,0|2,0,0]=4 4145 B11R0.148 NC(=O)CCOCCCCCO 34a_100000757172_100000746330 [0,1,1,0,0,0|2,0,0]=4 4146 B11R0.148 NC(=O)CCOCCCCCO 7a_100000757172_100000746330 [0,1,1,0,0,0|2,0,0]=4 4147 B11R0.148 NC(=O)CCSCCCCCF 62a_100000729378_100000744528 [0,1,1,0,0,0|2,0,0]=4 4148 B11R0.148 NC(=O)CCSCCCCCF 62a_100000744528_100000729378 [0,1,1,0,0,0|2,0,0]=4 4149 B11R0.148 NC(=O)CCSCCCCCO 62a_100000744528_100000746330 [0,1,1,0,0,0|2,0,0]=4 4150 B11R0.148 NC(=O)CCSCCCCCO 62a_100000746330_100000744528 [0,1,1,0,0,0|2,0,0]=4 4151 B11R0.148 NC(=O)CNCCCCCCF 2230a_100000711301_100015922095 [0,1,1,0,0,0|2,0,0]=4 4152 B11R0.148 NC(=O)CNCCCCCCO 2230a_100000686447_100000747473 [0,1,1,0,0,0|2,0,0]=4 4153 B11R0.148 NC(=O)CNCCCCCCO 2230a_100000711301_100000766143 [0,1,1,0,0,0|2,0,0]=4 4154 B11R0.148 NC(=O)CNCCCCCCO 34a_100000686447_100000187820 [0,1,1,0,0,0|2,0,0]=4 4155 B11R0.148 NC(=O)COCCCCCCBr 34a_100011215345_100000187820 [0,1,1,0,0,0|2,0,0]=4 4156 B11R0.148 NC(=O)COCCCCCCBr 7a_100011215345_100000187820 [0,1,1,0,0,0|2,0,0]=4 4157 B11R0.148 NC(=O)COCCCCCCCl 34a_100000766143_100000187820 [0,1,1,0,0,0|2,0,0]=4 4158 B11R0.148 NC(=O)COCCCCCCCl 7a_100000766143_100000187820 [0,1,1,0,0,0|2,0,0]=4 4159 B11R0.148 NC(=O)COCCCCCCF 34a_100000732779_100000187820 [0,1,1,0,0,0|2,0,0]=4 4160 B11R0.148 NC(=O)COCCCCCCF 7a_100000732779_100000187820 [0,1,1,0,0,0|2,0,0]=4 4161 B11R0.148 NC(=O)CSCCCCCCF 62a_100000747473_100015922095 [0,1,1,0,0,0|2,0,0]=4 4162 B11R0.148 NC(=O)CSCCCCCCF 62a_100015922095_100000747473 [0,1,1,0,0,0|2,0,0]=4 4163 B11R0.148 NC(=O)CSCCCCCCO 62a_100000747473_100000766143 [0,1,1,0,0,0|2,0,0]=4 4164 B11R0.148 NC(=O)CSCCCCCCO 62a_100000766143_100000747473 [0,1,1,0,0,0|2,0,0]=4 4165 B11R0.148 NCCCCCCOCC(=O)N 34a_100000686447_100000187820 [0,1,1,0,0,0|2,0,0]=4 4166 B11R0.148 NCCCCCCOCC(=O)[O-] 34a_100000686447_100020667443 [0,1,1,0,0,0|1,0,1]=4 4167 B11R0.148 NCCCCCOCCC(=O)N 34a_100000762737_100000731001 [0,1,1,0,0,0|2,0,0]=4 4168 B11R0.148 NCCCCOCCCC(=O)N 34a_100000750430_100102525003 [0,1,1,0,0,0|2,0,0]=4 4169 B11R0.148 NCCOCCCCCC(=O)N 34a_100000210304_100009817443 [0,1,1,0,0,0|2,0,0]=4 4170 B11R0.148 O=C(O)CNCCCCCCF 269956a_100016091260_100015922095 [0,1,1,0,0,0|1,0,0]=3 4171 B11R0.148 O=C(O)CNCCCCCCO 269956a_100016091260_100000766143 [0,1,1,0,0,0|1,0,0]=3 4172 B11R0.148 O=C(O)COCCNCCCF 269956a_100000700818_100011934791 [0,1,1,0,0,0|2,0,0]=4 4173 B11R0.148 O=C(O)COCCNCCCO 269956a_100000700818_100011215043 [0,1,1,0,0,0|2,0,0]=4 4174 B11R0.148 O=C(O)CONCCCCCF 269956a_100000106656_100000729378 [0,1,1,0,0,0|2,0,0]=4 4175 B11R0.148 O=C(O)CONCCCCCO 269956a_100000106656_100000746330 [0,1,1,0,0,0|2,0,0]=4 4176 B11R0.148 O=C([O-])CCCCCOCCF 7a_100102619762_100011217306 [0,1,1,0,0,0|1,0,1]=4 4177 B11R0.148 O=C([O-])CCCCCOCCO 7a_100102619762_100000211926 [0,1,1,0,0,0|1,0,1]=4 4178 B11R0.148 O=C([O-])CNCCCCCCO 34a_100000686447_100020667443 [0,1,1,0,0,0|1,0,1]=4 4179 B11R0.148 O=C([O-])COCCCCCCBr 34a_100011215345_100020667443 [0,1,1,0,0,0|1,0,1]=4 4180 B11R0.148 O=C([O-])COCCCCCCCl 34a_100000766143_100020667443 [0,1,1,0,0,0|1,0,1]=4 4181 B11R0.148 O=C([O-])COCCCCCCF 34a_100000732779_100020667443 [0,1,1,0,0,0|1,0,1]=4 4182 B11R0.148 O=C([O-])CSCCCCCCF 62a_100015922095_100020667443 [0,1,1,0,0,0|1,0,1]=4 4183 B11R0.148 O=C([O-])CSCCCCCCF 62a_100020667443_100015922095 [0,1,1,0,0,0|1,0,1]=4 4184 B11R0.148 O=C([O-])CSCCCCCCO 62a_100000766143_100020667443 [0,1,1,0,0,0|1,0,1]=4 4185 B11R0.148 O=C([O-])CSCCCCCCO 62a_100020667443_100000766143 [0,1,1,0,0,0|1,0,1]=4 4186 B11R0.148 O=CCCCCCNCC(=O)O 269956a_100016091260_100000139337 [0,1,1,0,0,0|1,0,1]=4 4187 B11R0.148 [13CH3]NCCOCCOCC(=O)O 269956a_100009854275_200025704644 [0,1,1,0,0,0|2,0,0]=4 4188 B11R0.176 CCCC(=O)CCCCC(=O)C 1458a_100000211992_100000735457 [0,1,1,0,0,0|1,0,1]=4 4189 B11R0.176 CCCC(C)CCOCC(=O)N 34a_100011217855_100000187820 [0,1,1,0,0,0|2,0,0]=4 4190 B11R0.176 CCCC(C)CCOCC(=O)N 7a_100011217855_100000187820 [0,1,1,0,0,0|2,0,0]=4 4191 B11R0.176 CCCC(C)CCOCC(=O)[O-] 34a_100011217855_100020667443 [0,1,1,0,0,0|1,0,1]=4 4192 B11R0.176 CCCC(C)CNOCC(=O)O 269956a_100000106656_100011216630 [0,1,1,0,0,0|2,0,0]=4 4193 B11R0.176 CCCC(C)COCCC(=O)C 34a_100000759926_100011216630 [0,1,1,0,0,0|2,0,0]=4 4194 B11R0.176 CCCC(C)COCCC(=O)C 7a_100000688023_100000053229 [0,1,1,0,0,0|2,0,0]=4 4195 B11R0.176 CCCC(C)COCCC(=O)C 7a_100000759926_100011216630 [0,1,1,0,0,0|2,0,0]=4 4196 B11R0.176 CCCC(C)COCCC(=O)N 34a_100000688023_100000731001 [0,1,1,0,0,0|2,0,0]=4 4197 B11R0.176 CCCC(C)COCCC(=O)N 34a_100000757172_100011216630 [0,1,1,0,0,0|2,0,0]=4 4198 B11R0.176 CCCC(C)COCCC(=O)N 7a_100000688023_100000744528 [0,1,1,0,0,0|2,0,0]=4 4199 B11R0.176 CCCC(C)COCCC(=O)N 7a_100000757172_100011216630 [0,1,1,0,0,0|2,0,0]=4 4200 B11R0.176 CCCC(C)CSCCC(=O)C 62a_100000053229_100011216630 [0,1,1,0,0,0|2,0,0]=4 4201 B11R0.176 CCCC(C)CSCCC(=O)C 62a_100011216630_100000053229 [0,1,1,0,0,0|2,0,0]=4 4202 B11R0.176 CCCC(C)CSCCC(=O)N 62a_100000744528_100011216630 [0,1,1,0,0,0|2,0,0]=4 4203 B11R0.176 CCCC(C)CSCCC(=O)N 62a_100011216630_100000744528 [0,1,1,0,0,0|2,0,0]=4 4204 B11R0.176 CCCC(C)NCCCC(=O)N 34a_100000739312_100000766640 [0,1,1,0,0,0|2,0,0]=4 4205 B11R0.176 CCCC(C)OCCCC(=O)C 34a_100000759063_100000766640 [0,1,1,0,0,0|2,0,0]=4 4206 B11R0.176 CCCC(C)OCCCC(=O)C 34a_100000764384_100000685027 [0,1,1,0,0,0|2,0,0]=4 4207 B11R0.176 CCCC(C)OCCCC(=O)C 7a_100000759063_100000766640 [0,1,1,0,0,0|2,0,0]=4 4208 B11R0.176 CCCC(C)OCCCC(=O)C 7a_100000764384_100011215641 [0,1,1,0,0,0|2,0,0]=4 4209 B11R0.176 CCCC(C)OCCCC(=O)N 34a_100000764384_100102525003 [0,1,1,0,0,0|2,0,0]=4 4210 B11R0.176 CCCC(C)OCCCC(=O)N 7a_100000764384_100102525003 [0,1,1,0,0,0|2,0,0]=4 4211 B11R0.176 CCCC(C)SCCCC(=O)C 62a_100000766640_100011215641 [0,1,1,0,0,0|2,0,0]=4 4212 B11R0.176 CCCC(C)SCCCC(=O)C 62a_100011215641_100000766640 [0,1,1,0,0,0|2,0,0]=4 4213 B11R0.176 CCCC(C)SCCCC(=O)N 62a_100000766640_100102525003 [0,1,1,0,0,0|2,0,0]=4 4214 B11R0.176 CCCC(C)SCCCC(=O)N 62a_100102525003_100000766640 [0,1,1,0,0,0|2,0,0]=4 4215 B11R0.176 CCCN(C)CCCCC(=O)C 269982a_100000747261_100000735457 [0,1,1,0,0,0|2,0,0]=4 4216 B11R0.176 CCC[C@H](N)CCOCC(=O)N 34a_100015193777_100000187820 [0,1,1,0,0,0|2,0,0]=4 4217 B11R0.176 CCC[C@H](N)CCOCC(=O)[O-] 34a_100015193777_100020667443 [0,1,1,0,0,0|1,0,1]=4 4218 B11R0.176 CCC[C@H](N)COCCC(=O)N 34a_100000732646_100000731001 [0,1,1,0,0,0|2,0,0]=4 4219 B11R0.37 CCCC(CC)NC(C)C(=O)C 2230a_100000747048_100009814033 [0,1,1,0,0,0|2,0,0]=4 4220 B11R0.37 CCCC(CC)NC(C)C(=O)N 2230a_100000747048_100000702099 [0,1,1,0,0,0|2,0,0]=4 4221 B11R0.37 CCCC(CC)NC(F)C(=O)N 2230a_100000747048_100009813875 [0,1,1,0,0,0|2,0,0]=4 4222 B11R0.37 CCCC(CC)N[C@@H](C)C(=O)O 269956a_100000743915_100011219200 [0,1,1,0,0,0|1,0,0]=3 4223 B11R0.37 CCCC(CC)N[C@H](C)C(=O)N 270004a_100000119354_100000687865 [0,1,1,0,0,0|2,0,0]=4 4224 B11R0.37 CCCC(CC)OC(C)C(=O)C 7a_100000687864_100000179758 [0,1,1,0,0,0|2,0,0]=4 4225 B11R0.37 CCCC(CC)OC(C)C(=O)N 34a_100000687864_100000702099 [0,1,1,0,0,0|2,0,0]=4 4226 B11R0.37 CCCC(CC)OC(C)C(=O)N 7a_100000687864_100000702099 [0,1,1,0,0,0|2,0,0]=4 4227 B11R0.37 CCCC(CC)OC(F)C(=O)N 34a_100000687864_100009813875 [0,1,1,0,0,0|2,0,0]=4 4228 B11R0.37 CCCC(CC)OC(F)C(=O)N 7a_100000687864_100009813875 [0,1,1,0,0,0|2,0,0]=4 4229 B11R0.37 CCCC(CC)OC(F)C(=O)[O-] 34a_100000687864_100020610796 [0,1,1,0,0,0|1,0,1]=4 4230 B11R0.37 CCCC(CC)O[C@@H](C)C(=O)[O-] 7a_217856618621_100011219200 [0,1,1,0,0,0|1,0,1]=4 4231 B11R0.37 CCCC(CC)O[C@H](C)C(=O)N 7a_100000731257_100011219200 [0,1,1,0,0,0|2,0,0]=4 4232 B11R0.37 CCCC(CC)SC(C)C(=O)C 62a_100009814033_100011219200 [0,1,1,0,0,0|2,0,0]=4 4233 B11R0.37 CCCC(CC)SC(C)C(=O)C 62a_100011219200_100009814033 [0,1,1,0,0,0|2,0,0]=4 4234 B11R0.37 CCCC(CC)SC(C)C(=O)N 62a_100000702099_100011219200 [0,1,1,0,0,0|2,0,0]=4 4235 B11R0.37 CCCC(CC)SC(C)C(=O)N 62a_100011219200_100000702099 [0,1,1,0,0,0|2,0,0]=4 4236 B11R0.37 CCCC(CC)SC(F)C(=O)N 62a_100009813875_100011219200 [0,1,1,0,0,0|2,0,0]=4 4237 B11R0.37 CCCC(CC)SC(F)C(=O)N 62a_100011219200_100009813875 [0,1,1,0,0,0|2,0,0]=4 4238 B11R0.37 CCCC(CC)SC(F)C(=O)[O-] 62a_100011219200_100020610796 [0,1,1,0,0,0|1,0,1]=4 4239 B11R0.37 CCCC(CC)SC(F)C(=O)[O-] 62a_100020610796_100011219200 [0,1,1,0,0,0|1,0,1]=4 4240 B11R0.118 CCC(C)N(CC)CCC(=O)C 269982a_100000732650_100000053229 [0,1,1,0,0,0|2,0,0]=4 4241 B11R0.118 CCC(C)N(CC)CCC(=O)N 2230a_100000732650_100000744528 [0,1,1,0,0,0|2,0,0]=4 4242 B11R0.118 CCC(C)N(CC)CCC(=O)N 2230a_100020645749_100000758301 [0,1,1,0,0,0|2,0,0]=4 4243 B11R0.118 CCC(C)N(CC)CCC(=O)N 269982a_100000732650_100000744528 [0,1,1,0,0,0|2,0,0]=4 4244 B11R0.133 CCCC(CC)C(=O)CC(=O)N 1458a_100011416436_100000187820 [0,1,1,0,0,0|1,0,1]=4 4245 B11R0.133 CCCC(CC)C(=O)CC(=O)N 1458a_100134613110_100011219200 [0,1,1,0,0,0|1,0,1]=4 4246 B11R0.133 CCCC(CC)C(=O)CC(=O)[O-] 1458a_100011416436_100020667443 [0,1,1,0,0,0|0,0,2]=4 4247 B11R0.133 CCCC(CC)N(C)CC(=O)N 270004a_100000739694_100000687865 [0,1,1,0,0,0|2,0,0]=4 4248 B11R0.133 CCCC(CC)N(C)CC(=O)O 269956a_100000746989_100011219200 [0,1,1,0,0,0|1,0,0]=3 4249 B11R0.134 CCC(COC)NCC(=O)OC 2230a_100000757820_100000747449 [0,1,1,0,0,0|2,0,0]=4 4250 B11R0.134 CCC(COC)OCC(=O)OC 7a_200011214946_100000747449 [0,1,1,0,0,0|2,0,0]=4 4251 B11R0.134 CCCC(CC)NCC(=O)NC 2230a_100000747048_100000183359 [0,1,1,0,0,0|2,0,0]=4 4252 B11R0.134 CCCC(CC)NCC(=O)NC 270004a_100000693194_100000687865 [0,1,1,0,0,0|2,0,0]=4 4253 B11R0.134 CCCC(CC)NCC(=O)OC 2230a_100000747048_100000747449 [0,1,1,0,0,0|1,0,0]=3 4254 B11R0.134 CCCC(CC)OCC(=O)CC 7a_100000687864_100000747405 [0,1,1,0,0,0|2,0,0]=4 4255 B11R0.134 CCCC(CC)OCC(=O)NC 34a_100000687864_100000183359 [0,1,1,0,0,0|2,0,0]=4 4256 B11R0.134 CCCC(CC)OCC(=O)NC 7a_100000687864_100000183359 [0,1,1,0,0,0|2,0,0]=4 4257 B11R0.134 CCCC(CC)OCC(=O)OC 34a_100000687864_100000747449 [0,1,1,0,0,0|1,0,0]=3 4258 B11R0.134 CCCC(CC)OCC(=O)OC 7a_100000687864_100000747449 [0,1,1,0,0,0|1,0,0]=3 4259 B11R0.134 CCCC(CC)SCC(=O)CC 62a_100000747405_100011219200 [0,1,1,0,0,0|2,0,0]=4 4260 B11R0.134 CCCC(CC)SCC(=O)CC 62a_100011219200_100000747405 [0,1,1,0,0,0|2,0,0]=4 4261 B11R0.134 CCCC(CC)SCC(=O)NC 62a_100000183359_100011219200 [0,1,1,0,0,0|2,0,0]=4 4262 B11R0.134 CCCC(CC)SCC(=O)NC 62a_100011219200_100000183359 [0,1,1,0,0,0|2,0,0]=4 4263 B11R0.134 CCCC(CC)SCC(=O)OC 62a_100000747449_100011219200 [0,1,1,0,0,0|1,0,0]=3 4264 B11R0.134 CCCC(CC)SCC(=O)OC 62a_100011219200_100000747449 [0,1,1,0,0,0|1,0,0]=3 4265 B11R0.134 CCCN(CC)CCC(=O)NC 2230a_100000226822_100000737683 [0,1,1,0,0,0|2,0,0]=4 4266 B11R0.134 CCCN(CC)CCC(=O)NC 269982a_100000226822_100000737683 [0,1,1,0,0,0|2,0,0]=4 4267 B11R0.134 CCCN(CC)CCC(=O)OC 2230a_100000226822_100000204255 [0,1,1,0,0,0|1,0,0]=3 4268 B11R0.134 CCCN(CC)CCC(=O)OC 2230a_100000229097_100000210303 [0,1,1,0,0,0|1,0,0]=3 4269 B11R0.134 CCCN(CC)CCC(=O)OC 269982a_100000226822_100000204255 [0,1,1,0,0,0|1,0,0]=3 4270 B11R0.134 CCCN(CC)CCC(=O)OC 269982a_100000229097_100000210303 [0,1,1,0,0,0|1,0,0]=3 4271 B11R0.134 CCC[C@@H](CO)NCC(=O)OC 2230a_100000732646_100000747449 [0,1,1,0,0,0|2,0,0]=4 4272 B11R0.134 CCC[C@@H](CO)NCC(=O)OC 34a_100000732646_100000747449 [0,1,1,0,0,0|2,0,0]=4 4273 B11R0.134 CCN(CCC(=O)OC)COC 2230a_100000229097_100000766300 [0,1,1,0,0,0|2,0,0]=4 4274 B11R0.134 CCN(CCC(=O)OC)COC 269982a_100000229097_100000766300 [0,1,1,0,0,0|2,0,0]=4 4275 B11R0.134 CCN(CCC(=O)OC)CSC 2230a_100000229097_100011218213 [0,1,1,0,0,0|2,0,0]=4 4276 B11R0.134 CCN(CCC(=O)OC)CSC 269982a_100000229097_100011218213 [0,1,1,0,0,0|2,0,0]=4 4277 B11R0.134 CCN(CCF)CCC(=O)OC 2230a_100000229097_100011217306 [0,1,1,0,0,0|2,0,0]=4 4278 B11R0.134 CCN(CCF)CCC(=O)OC 269982a_100000229097_100011217306 [0,1,1,0,0,0|2,0,0]=4 4279 B11R0.134 CCN(CCO)CCC(=O)OC 2230a_100000210973_100000204255 [0,1,1,0,0,0|2,0,0]=4 4280 B11R0.134 CCN(CCO)CCC(=O)OC 2230a_100000229097_100000211926 [0,1,1,0,0,0|2,0,0]=4 4281 B11R0.134 CCN(CCO)CCC(=O)OC 269982a_100000210973_100000204255 [0,1,1,0,0,0|2,0,0]=4 4282 B11R0.134 CCN(CCO)CCC(=O)OC 269982a_100000229097_100000211926 [0,1,1,0,0,0|2,0,0]=4 4283 B11R0.134 CCOC(CC)CNC(=O)CO 240690a_100015183923_100000210174 [0,1,1,0,0,0|2,0,0]=4 4284 B11R0.134 CCOC(CC)CNC(=O)CO 527a_100015183923_100000210174 [0,1,1,0,0,0|2,0,0]=4 4285 B11R0.143 CCN(CCC(=O)C)CC(C)C 269982a_100000738554_100000053229 [0,1,1,0,0,0|2,0,0]=4 4286 B11R0.143 CCN(CCC(=O)C)C[C@H](C)O 269982a_100000729506_100000053229 [0,1,1,0,0,0|2,0,0]=4 4287 B11R0.143 CCN(CCC(=O)N)CC(C)C 2230a_100000738554_100000744528 [0,1,1,0,0,0|2,0,0]=4 4288 B11R0.143 CCN(CCC(=O)N)CC(C)C 2230a_100020645749_100000210760 [0,1,1,0,0,0|2,0,0]=4 4289 B11R0.143 CCN(CCC(=O)N)CC(C)C 269982a_100000738554_100000744528 [0,1,1,0,0,0|2,0,0]=4 4290 B11R0.143 CCN(CCC(=O)N)CC(C)C 270004a_100020645749_100000210432 [0,1,1,0,0,0|2,0,0]=4 4291 B11R0.143 CCN(CCC(=O)N)CC(C)O 2230a_100020645749_100011218427 [0,1,1,0,0,0|2,0,0]=4 4292 B11R0.143 CCN(CCC(=O)N)C[C@@H](C)O 2230a_100020645749_100009817552 [0,1,1,0,0,0|2,0,0]=4 4293 B11R0.143 CCN(CCC(=O)N)C[C@H](C)O 2230a_100000729506_100000744528 [0,1,1,0,0,0|2,0,0]=4 4294 B11R0.143 CCN(CCC(=O)N)C[C@H](C)O 269982a_100000729506_100000744528 [0,1,1,0,0,0|2,0,0]=4 4295 B11R0.146 CCCC(OCC(=O)N)C(C)C 34a_200011215069_100000187820 [0,1,1,0,0,0|2,0,0]=4 4296 B11R0.146 CCCC(OCC(=O)N)C(C)C 7a_200011215069_100000187820 [0,1,1,0,0,0|2,0,0]=4 4297 B11R0.146 CCCC(OCC(=O)[O-])C(C)C 34a_200011215069_100020667443 [0,1,1,0,0,0|1,0,1]=4 4298 B11R0.146 CCCN(CCC(=O)C)C(C)C 269982a_106256033942_100000053229 [0,1,1,0,0,0|2,0,0]=4 4299 B11R0.146 CCCN(CCC(=O)N)C(C)C 2230a_100011191440_100000210303 [0,1,1,0,0,0|2,0,0]=4 4300 B11R0.146 CCCN(CCC(=O)N)C(C)C 2230a_106256033942_100000744528 [0,1,1,0,0,0|2,0,0]=4 4301 B11R0.146 CCCN(CCC(=O)N)C(C)C 269982a_100011191440_100000210303 [0,1,1,0,0,0|2,0,0]=4 4302 B11R0.146 CCCN(CCC(=O)N)C(C)C 269982a_106256033942_100000744528 [0,1,1,0,0,0|2,0,0]=4 4303 B11R0.164 CCCCC(CC)CCC(=O)C 1458a_100011216959_200000210301 [0,1,1,0,0,0|1,0,0]=3 4304 B11R0.164 CCCCC(CC)CCC(=O)[13CH3] 1458a_100011216959_200025704644 [0,1,1,0,0,0|1,0,0]=3 4305 B11R0.164 CCCCC(CC)CNC(=O)C 11a_100000209976_100015343762 [0,1,1,0,0,0|2,0,0]=4 4306 B11R0.164 CCCCC(CC)CNC(=O)C 1626a_100000209976_100015343762 [0,1,1,0,0,0|2,0,0]=4 4307 B11R0.164 CCCCC(CC)CNC(=O)C 240690a_100000209976_100015343762 [0,1,1,0,0,0|2,0,0]=4 4308 B11R0.164 CCCCC(CC)CNC(=O)C 527a_100000209976_100103153847 [0,1,1,0,0,0|2,0,0]=4 4309 B11R0.164 CCCCC(CC)NCC(=O)O 269956a_100016091260_200011216223 [0,1,1,0,0,0|1,0,0]=3 4310 B11R0.164 CCCCC(CC)OCC(=O)C 34a_100000211253_200011216223 [0,1,1,0,0,0|2,0,0]=4 4311 B11R0.164 CCCCC(CC)OCC(=O)N 34a_100011215227_100000187820 [0,1,1,0,0,0|2,0,0]=4 4312 B11R0.164 CCCCC(CC)OCC(=O)N 7a_100011215227_100000187820 [0,1,1,0,0,0|2,0,0]=4 4313 B11R0.164 CCCCC(CC)OCC(=O)[O-] 34a_100011215227_100020667443 [0,1,1,0,0,0|1,0,1]=4 4314 B11R0.164 CCCCC(CC)SCC(=O)N 62a_100000747473_200011216223 [0,1,1,0,0,0|2,0,0]=4 4315 B11R0.164 CCCCC(CC)SCC(=O)N 62a_200011216223_100000747473 [0,1,1,0,0,0|2,0,0]=4 4316 B11R0.164 CCCCC(CC)SCC(=O)[O-] 62a_100020667443_200011216223 [0,1,1,0,0,0|1,0,1]=4 4317 B11R0.164 CCCCC(CC)SCC(=O)[O-] 62a_200011216223_100020667443 [0,1,1,0,0,0|1,0,1]=4 4318 B11R0.164 CCCCN(CC)CCC(=O)C 269982a_100000207695_100000053229 [0,1,1,0,0,0|2,0,0]=4 4319 B11R0.164 CCCCN(CC)CCC(=O)N 2230a_100000207695_100000744528 [0,1,1,0,0,0|2,0,0]=4 4320 B11R0.164 CCCCN(CC)CCC(=O)N 2230a_100020645749_100000210211 [0,1,1,0,0,0|2,0,0]=4 4321 B11R0.164 CCCCN(CC)CCC(=O)N 269982a_100000207695_100000744528 [0,1,1,0,0,0|2,0,0]=4 4322 B11R0.164 CCN(CCCF)CCC(=O)N 2230a_100020645749_100011934791 [0,1,1,0,0,0|2,0,0]=4 4323 B11R0.164 CCN(CCCO)CCC(=O)N 2230a_100020645749_100000230001 [0,1,1,0,0,0|2,0,0]=4 4324 B11R0.164 CCN(CCOC)CCC(=O)C 269982a_100000731262_100000053229 [0,1,1,0,0,0|2,0,0]=4 4325 B11R0.164 CCN(CCOC)CCC(=O)N 2230a_100000731262_100000744528 [0,1,1,0,0,0|2,0,0]=4 4326 B11R0.164 CCN(CCOC)CCC(=O)N 2230a_100020645749_100011201679 [0,1,1,0,0,0|2,0,0]=4 4327 B11R0.164 CCN(CCOC)CCC(=O)N 269982a_100000731262_100000744528 [0,1,1,0,0,0|2,0,0]=4 4328 B11R0.164 CCN(CCSC)CCC(=O)N 2230a_100020645749_100000751147 [0,1,1,0,0,0|2,0,0]=4 4329 B11R0.185 CCCC(C)(CC)NCC(=O)O 269956a_100016091260_200000040151 [0,1,1,0,0,0|1,0,0]=3 4330 B11R0.185 CCCC(C)(CC)OCC(=O)N 7a_200011215934_100000187820 [0,1,1,0,0,0|2,0,0]=4 4331 B11R0.185 CCCC(C)(CC)SCC(=O)N 62a_100000747473_200000040151 [0,1,1,0,0,0|2,0,0]=4 4332 B11R0.185 CCCC(C)(CC)SCC(=O)N 62a_200000040151_100000747473 [0,1,1,0,0,0|2,0,0]=4 4333 B11R0.185 CCCC(C)(CC)SCC(=O)[O-] 62a_100020667443_200000040151 [0,1,1,0,0,0|1,0,1]=4 4334 B11R0.185 CCCC(C)(CC)SCC(=O)[O-] 62a_200000040151_100020667443 [0,1,1,0,0,0|1,0,1]=4 4335 B11R0.280 CCCC(CCC)NCC(=O)N 2230a_100011207992_100000747473 [0,1,1,0,0,0|2,0,0]=4 4336 B11R0.280 CCCC(CCC)NCC(=O)N 34a_100011207992_100000187820 [0,1,1,0,0,0|2,0,0]=4 4337 B11R0.280 CCCC(CCC)NCC(=O)O 269956a_100016091260_200011218217 [0,1,1,0,0,0|1,0,0]=3 4338 B11R0.280 CCCC(CCC)NCC(=O)[O-] 34a_100011207992_100020667443 [0,1,1,0,0,0|1,0,1]=4 4339 B11R0.280 CCCC(CCC)OCC(=O)C 34a_100000211253_200011218217 [0,1,1,0,0,0|2,0,0]=4 4340 B11R0.280 CCCC(CCC)OCC(=O)N 34a_200011218534_100000187820 [0,1,1,0,0,0|2,0,0]=4 4341 B11R0.280 CCCC(CCC)OCC(=O)N 7a_200011218534_100000187820 [0,1,1,0,0,0|2,0,0]=4 4342 B11R0.280 CCCC(CCC)OCC(=O)[O-] 34a_200011218534_100020667443 [0,1,1,0,0,0|1,0,1]=4 4343 B11R0.280 CCCC(CCC)SCC(=O)N 62a_100000747473_200011218217 [0,1,1,0,0,0|2,0,0]=4 4344 B11R0.280 CCCC(CCC)SCC(=O)N 62a_200011218217_100000747473 [0,1,1,0,0,0|2,0,0]=4 4345 B11R0.280 CCCC(CCC)SCC(=O)[O-] 62a_100020667443_200011218217 [0,1,1,0,0,0|1,0,1]=4 4346 B11R0.280 CCCC(CCC)SCC(=O)[O-] 62a_200011218217_100020667443 [0,1,1,0,0,0|1,0,1]=4 4347 B11R0.280 CCCN(CCC)CCC(=O)C 269982a_100000210455_100000053229 [0,1,1,0,0,0|2,0,0]=4 4348 B11R0.280 CCCN(CCC)CCC(=O)N 2230a_100000210455_100000744528 [0,1,1,0,0,0|2,0,0]=4 4349 B11R0.280 CCCN(CCC)CCC(=O)N 269982a_100000210455_100000744528 [0,1,1,0,0,0|2,0,0]=4 4350 B11R0.280 CCCN(CCO)CCC(=O)C 269982a_100000211420_100000053229 [0,1,1,0,0,0|2,0,0]=4 4351 B11R0.280 CCCN(CCO)CCC(=O)N 2230a_100000211420_100000744528 [0,1,1,0,0,0|2,0,0]=4 4352 B11R0.280 CCCN(CCO)CCC(=O)N 269982a_100000211420_100000744528 [0,1,1,0,0,0|2,0,0]=4 4353 B11R0.280 CCC[C@@H](CCO)NCC(=O)N 2230a_100015193777_100000747473 [0,1,1,0,0,0|2,0,0]=4 4354 B11R0.280 CCC[C@@H](CCO)NCC(=O)N 34a_100015193777_100000187820 [0,1,1,0,0,0|2,0,0]=4 4355 B11R0.280 CCC[C@@H](CCO)NCC(=O)[O-] 34a_100015193777_100020667443 [0,1,1,0,0,0|1,0,1]=4 4356 B11R0.280 CCOC(CCC(=O)C)OCC 1458a_100000070787_100000033671 [0,1,1,0,0,0|2,0,0]=4 4357 B11R0.59 CCCC(C)C(C)OCC(=O)N 34a_100000708338_100000187820 [0,1,1,0,0,0|2,0,0]=4 4358 B11R0.59 CCCC(C)C(C)OCC(=O)N 7a_100000708338_100000187820 [0,1,1,0,0,0|2,0,0]=4 4359 B11R0.59 CCCC(C)C(C)OCC(=O)[O-] 34a_100000708338_100020667443 [0,1,1,0,0,0|1,0,1]=4 4360 B11R0.59 CCCC(C)N(C)CCC(=O)N 2230a_100000730477_100000766640 [0,1,1,0,0,0|2,0,0]=4 4361 B11R0.59 CCCC(C)N(C)CCC(=O)N 270004a_100000730477_100000211909 [0,1,1,0,0,0|2,0,0]=4 4362 B11R0.68 CCCCC(C)C(=O)CC(=O)N 1458a_100000725509_100000187820 [0,1,1,0,0,0|1,0,1]=4 4363 B11R0.68 CCCCC(C)C(=O)CC(=O)N 1458a_100134613110_200011215066 [0,1,1,0,0,0|1,0,1]=4 4364 B11R0.68 CCCCC(C)C(=O)CC(=O)[O-] 1458a_100000725509_100020667443 [0,1,1,0,0,0|0,0,2]=4 4365 B11R0.68 CCCCC(C)N(C)CC(=O)N 2230a_100000739694_200011215066 [0,1,1,0,0,0|2,0,0]=4 4366 B11R0.68 CCCCC(C)N(C)CC(=O)N 270004a_100000739694_100000210087 [0,1,1,0,0,0|2,0,0]=4 4367 B11R0.68 CCCCC(C)N(C)CC(=O)O 269956a_100000746989_200011215066 [0,1,1,0,0,0|1,0,0]=3 4368 B11R0.70 CCCCC(=O)CCC(=O)OC 1458a_100000187943_100000210211 [0,1,1,0,0,0|1,0,1]=4 4369 B11R0.70 CCCCC(C)CCC(=O)CC 1458a_100000033779_100000210202 [0,1,1,0,0,0|1,0,0]=3 4370 B11R0.70 CCCCC(C)CCC(=O)CF 1458a_100000033779_100015361967 [0,1,1,0,0,0|1,0,0]=3 4371 B11R0.70 CCCCC(C)CCC(=O)NC 11a_106832991635_100000033779 [0,1,1,0,0,0|1,0,0]=3 4372 B11R0.70 CCCCC(C)CCC(=O)NC 1626a_100102657272_100000033779 [0,1,1,0,0,0|1,0,0]=3 4373 B11R0.70 CCCCC(C)CCC(=O)NC 240690a_100102657272_100000033779 [0,1,1,0,0,0|1,0,0]=3 4374 B11R0.70 CCCCC(C)CCC(=O)NC 527a_100102657272_100000033779 [0,1,1,0,0,0|1,0,0]=3 4375 B11R0.70 CCCCC(C)NCC(=O)NC 2230a_100000126638_100000183359 [0,1,1,0,0,0|2,0,0]=4 4376 B11R0.70 CCCCC(C)NCC(=O)NC 2230a_100000693194_200011215066 [0,1,1,0,0,0|2,0,0]=4 4377 B11R0.70 CCCCC(C)NCC(=O)NC 270004a_100000693194_100000210087 [0,1,1,0,0,0|2,0,0]=4 4378 B11R0.70 CCCCC(C)NCC(=O)OC 2230a_100000126638_100000747449 [0,1,1,0,0,0|1,0,0]=3 4379 B11R0.70 CCCCC(C)OCC(=O)CC 34a_100000725409_200011215066 [0,1,1,0,0,0|2,0,0]=4 4380 B11R0.70 CCCCC(C)OCC(=O)CC 7a_100000687866_100000747405 [0,1,1,0,0,0|2,0,0]=4 4381 B11R0.70 CCCCC(C)OCC(=O)NC 34a_100000687866_100000183359 [0,1,1,0,0,0|2,0,0]=4 4382 B11R0.70 CCCCC(C)OCC(=O)NC 34a_100000750040_200011215066 [0,1,1,0,0,0|2,0,0]=4 4383 B11R0.70 CCCCC(C)OCC(=O)NC 7a_100000687866_100000183359 [0,1,1,0,0,0|2,0,0]=4 4384 B11R0.70 CCCCC(C)OCC(=O)OC 34a_100000687866_100000747449 [0,1,1,0,0,0|1,0,0]=3 4385 B11R0.70 CCCCC(C)OCC(=O)OC 7a_100000687866_100000747449 [0,1,1,0,0,0|1,0,0]=3 4386 B11R0.70 CCCCC(C)SCC(=O)CC 62a_100000747405_200011215066 [0,1,1,0,0,0|2,0,0]=4 4387 B11R0.70 CCCCC(C)SCC(=O)CC 62a_200011215066_100000747405 [0,1,1,0,0,0|2,0,0]=4 4388 B11R0.70 CCCCC(C)SCC(=O)NC 62a_100000183359_200011215066 [0,1,1,0,0,0|2,0,0]=4 4389 B11R0.70 CCCCC(C)SCC(=O)NC 62a_200011215066_100000183359 [0,1,1,0,0,0|2,0,0]=4 4390 B11R0.70 CCCCC(C)SCC(=O)OC 62a_100000747449_200011215066 [0,1,1,0,0,0|1,0,0]=3 4391 B11R0.70 CCCCC(C)SCC(=O)OC 62a_200011215066_100000747449 [0,1,1,0,0,0|1,0,0]=3 4392 B11R0.70 CCCCN(C)CCC(=O)NC 2230a_100000207549_100000737683 [0,1,1,0,0,0|2,0,0]=4 4393 B11R0.70 CCCCN(C)CCC(=O)NC 2230a_100000750875_100000210211 [0,1,1,0,0,0|2,0,0]=4 4394 B11R0.70 CCCCN(C)CCC(=O)NC 269982a_100000207549_100000737683 [0,1,1,0,0,0|2,0,0]=4 4395 B11R0.70 CCCCN(C)CCC(=O)NC 269982a_100000750875_100000210211 [0,1,1,0,0,0|2,0,0]=4 4396 B11R0.70 CCCCN(C)CCC(=O)OC 2230a_100000207549_100000204255 [0,1,1,0,0,0|1,0,0]=3 4397 B11R0.70 CCCCN(C)CCC(=O)OC 269982a_100000207549_100000204255 [0,1,1,0,0,0|1,0,0]=3 4398 B11R0.70 CCCCN(C)CCC(=O)OC 269982a_100025711912_100000210211 [0,1,1,0,0,0|1,0,0]=3 4399 B11R0.70 CCCOC(C)CNC(=O)CO 240690a_100015185124_100000210174 [0,1,1,0,0,0|2,0,0]=4 4400 B11R0.70 CCCOC(C)CNC(=O)CO 527a_100015185124_100000210174 [0,1,1,0,0,0|2,0,0]=4 4401 B11R0.70 CCOCC(C)OCC(=O)OC 34a_100000718985_100000747449 [0,1,1,0,0,0|2,0,0]=4 4402 B11R0.70 CCOCC(C)OCC(=O)OC 7a_100000718985_100000747449 [0,1,1,0,0,0|2,0,0]=4 4403 B11R0.70 CCOCN(C)CCC(=O)OC 269982a_100025711912_100000739092 [0,1,1,0,0,0|2,0,0]=4 4404 B11R0.70 COC(=O)CCN(C)CCCF 269982a_100025711912_100011934791 [0,1,1,0,0,0|2,0,0]=4 4405 B11R0.70 COC(=O)CCN(C)CCCO 2230a_100000213112_100000204255 [0,1,1,0,0,0|2,0,0]=4 4406 B11R0.70 COC(=O)CCN(C)CCCO 269982a_100000213112_100000204255 [0,1,1,0,0,0|2,0,0]=4 4407 B11R0.70 COC(=O)CCN(C)CCCO 269982a_100025711912_100011215043 [0,1,1,0,0,0|2,0,0]=4 4408 B11R0.70 COC(=O)CCN(C)CCSC 2230a_100000686725_100000204255 [0,1,1,0,0,0|2,0,0]=4 4409 B11R0.70 COC(=O)CCN(C)CCSC 269982a_100000686725_100000204255 [0,1,1,0,0,0|2,0,0]=4 4410 B11R0.70 COC(=O)CCN(C)CCSC 269982a_100025711912_100000212216 [0,1,1,0,0,0|2,0,0]=4 4411 B11R0.70 COC(=O)COC(C)CCCCl 34a_200000718107_100000747449 [0,1,1,0,0,0|2,0,0]=4 4412 B11R0.70 COC(=O)COC(C)CCCCl 7a_200000718107_100000747449 [0,1,1,0,0,0|2,0,0]=4 4413 B11R0.70 COCCN(C)CCC(=O)OC 2230a_100000743101_100000204255 [0,1,1,0,0,0|2,0,0]=4 4414 B11R0.70 COCCN(C)CCC(=O)OC 269982a_100000743101_100000204255 [0,1,1,0,0,0|2,0,0]=4 4415 B11R0.70 COCCN(C)CCC(=O)OC 269982a_100025711912_100000233755 [0,1,1,0,0,0|2,0,0]=4 4416 B11R0.70 C[C@H](CCCO)CNC(=O)CO 240690a_100160569302_100000210174 [0,1,1,0,0,0|2,0,0]=4 4417 B11R0.70 C[C@H](CCCO)CNC(=O)CO 527a_100160569302_100000210174 [0,1,1,0,0,0|2,0,0]=4 4418 B11R0.85 CC(=O)CCN(C)CCC(C)C 269982a_100000742789_100000053229 [0,1,1,0,0,0|2,0,0]=4 4419 B11R0.85 CC(=O)COC(C)CCC(C)C 34a_100000211253_100011261404 [0,1,1,0,0,0|2,0,0]=4 4420 B11R0.85 CC(C)CCC(C)NCC(=O)N 2230a_100000711301_100011261404 [0,1,1,0,0,0|2,0,0]=4 4421 B11R0.85 CC(C)CCC(C)NCC(=O)N 2230a_100138410893_100000747473 [0,1,1,0,0,0|2,0,0]=4 4422 B11R0.85 CC(C)CCC(C)NCC(=O)O 269956a_100016091260_100011261404 [0,1,1,0,0,0|1,0,0]=3 4423 B11R0.85 CC(C)CCC(C)OCC(=O)N 34a_100011215350_100000187820 [0,1,1,0,0,0|2,0,0]=4 4424 B11R0.85 CC(C)CCC(C)OCC(=O)N 7a_100011215350_100000187820 [0,1,1,0,0,0|2,0,0]=4 4425 B11R0.85 CC(C)CCC(C)OCC(=O)[O-] 34a_100011215350_100020667443 [0,1,1,0,0,0|1,0,1]=4 4426 B11R0.85 CC(C)CCC(C)SCC(=O)N 62a_100000747473_100011261404 [0,1,1,0,0,0|2,0,0]=4 4427 B11R0.85 CC(C)CCC(C)SCC(=O)N 62a_100011261404_100000747473 [0,1,1,0,0,0|2,0,0]=4 4428 B11R0.85 CC(C)CCC(C)SCC(=O)[O-] 62a_100011261404_100020667443 [0,1,1,0,0,0|1,0,1]=4 4429 B11R0.85 CC(C)CCC(C)SCC(=O)[O-] 62a_100020667443_100011261404 [0,1,1,0,0,0|1,0,1]=4 4430 B11R0.85 CC(C)CCN(C)CCC(=O)N 2230a_100000730477_100000210312 [0,1,1,0,0,0|2,0,0]=4 4431 B11R0.85 CC(C)CCN(C)CCC(=O)N 2230a_100000742789_100000744528 [0,1,1,0,0,0|2,0,0]=4 4432 B11R0.85 CC(C)CCN(C)CCC(=O)N 269982a_100000742789_100000744528 [0,1,1,0,0,0|2,0,0]=4 4433 B11R0.85 CC(O)CCN(C)CCC(=O)N 2230a_100000730477_100012276601 [0,1,1,0,0,0|2,0,0]=4 4434 B11R0.93 CCC(C)CC(C)NCC(=O)N 2230a_100000763565_100000747473 [0,1,1,0,0,0|2,0,0]=4 4435 B11R0.93 CCC(C)CN(C)CCC(=O)C 269982a_100000753921_100000053229 [0,1,1,0,0,0|2,0,0]=4 4436 B11R0.93 CCC(C)CN(C)CCC(=O)N 2230a_100000730477_100000748023 [0,1,1,0,0,0|2,0,0]=4 4437 B11R0.93 CCC(C)CN(C)CCC(=O)N 2230a_100000753921_100000744528 [0,1,1,0,0,0|2,0,0]=4 4438 B11R0.93 CCC(C)CN(C)CCC(=O)N 269982a_100000753921_100000744528 [0,1,1,0,0,0|2,0,0]=4 4439 B11R0.93 CCC(C)CN(C)CCC(=O)N 270004a_100000730477_100000243153 [0,1,1,0,0,0|2,0,0]=4 4440 B11R0.93 CCC(O)CN(C)CCC(=O)N 2230a_100000730477_100011218378 [0,1,1,0,0,0|2,0,0]=4 4441 B11R0.93 CC[C@H](C)CN(C)CCC(=O)N 2230a_100000730477_100009816398 [0,1,1,0,0,0|2,0,0]=4 4442 B11R0.163 CCCCC(C)NC(C)C(=O)C 2230a_100000126638_100009814033 [0,1,1,0,0,0|2,0,0]=4 4443 B11R0.163 CCCCC(C)NC(C)C(=O)N 2230a_100000126638_100000702099 [0,1,1,0,0,0|2,0,0]=4 4444 B11R0.163 CCCCC(C)NC(F)C(=O)N 2230a_100000126638_100009813875 [0,1,1,0,0,0|2,0,0]=4 4445 B11R0.163 CCCCC(C)N[C@@H](C)C(=O)O 269956a_100000743915_200011215066 [0,1,1,0,0,0|1,0,0]=3 4446 B11R0.163 CCCCC(C)N[C@H](C)C(=O)N 2230a_100000119354_200011215066 [0,1,1,0,0,0|2,0,0]=4 4447 B11R0.163 CCCCC(C)N[C@H](C)C(=O)N 270004a_100000119354_100000210087 [0,1,1,0,0,0|2,0,0]=4 4448 B11R0.163 CCCCC(C)N[C@H](C)C(=O)N 34a_100000119354_200011215066 [0,1,1,0,0,0|2,0,0]=4 4449 B11R0.163 CCCCC(C)OC(C)C(=O)C 34a_100000212229_200011215066 [0,1,1,0,0,0|2,0,0]=4 4450 B11R0.163 CCCCC(C)OC(C)C(=O)C 7a_100000687866_100000179758 [0,1,1,0,0,0|2,0,0]=4 4451 B11R0.163 CCCCC(C)OC(C)C(=O)N 34a_100000687866_100000702099 [0,1,1,0,0,0|2,0,0]=4 4452 B11R0.163 CCCCC(C)OC(C)C(=O)N 7a_100000687866_100000702099 [0,1,1,0,0,0|2,0,0]=4 4453 B11R0.163 CCCCC(C)OC(F)C(=O)N 34a_100000687866_100009813875 [0,1,1,0,0,0|2,0,0]=4 4454 B11R0.163 CCCCC(C)OC(F)C(=O)N 7a_100000687866_100009813875 [0,1,1,0,0,0|2,0,0]=4 4455 B11R0.163 CCCCC(C)OC(F)C(=O)[O-] 34a_100000687866_100020610796 [0,1,1,0,0,0|1,0,1]=4 4456 B11R0.163 CCCCC(C)O[C@@H](C)C(=O)[O-] 7a_217856618621_200011215066 [0,1,1,0,0,0|1,0,1]=4 4457 B11R0.163 CCCCC(C)O[C@H](C)C(=O)N 34a_100000731257_200011215066 [0,1,1,0,0,0|2,0,0]=4 4458 B11R0.163 CCCCC(C)O[C@H](C)C(=O)N 7a_100000731257_200011215066 [0,1,1,0,0,0|2,0,0]=4 4459 B11R0.163 CCCCC(C)SC(C)C(=O)C 62a_100009814033_200011215066 [0,1,1,0,0,0|2,0,0]=4 4460 B11R0.163 CCCCC(C)SC(C)C(=O)C 62a_200011215066_100009814033 [0,1,1,0,0,0|2,0,0]=4 4461 B11R0.163 CCCCC(C)SC(C)C(=O)N 62a_100000702099_200011215066 [0,1,1,0,0,0|2,0,0]=4 4462 B11R0.163 CCCCC(C)SC(C)C(=O)N 62a_200011215066_100000702099 [0,1,1,0,0,0|2,0,0]=4 4463 B11R0.163 CCCCC(C)SC(F)C(=O)N 62a_100009813875_200011215066 [0,1,1,0,0,0|2,0,0]=4 4464 B11R0.163 CCCCC(C)SC(F)C(=O)N 62a_200011215066_100009813875 [0,1,1,0,0,0|2,0,0]=4 4465 B11R0.163 CCCCC(C)SC(F)C(=O)[O-] 62a_100020610796_200011215066 [0,1,1,0,0,0|1,0,1]=4 4466 B11R0.163 CCCCC(C)SC(F)C(=O)[O-] 62a_200011215066_100020610796 [0,1,1,0,0,0|1,0,1]=4 4467 B11R0.219 CCCCC(C)(C)OCC(=O)N 7a_100011219641_100000187820 [0,1,1,0,0,0|2,0,0]=4 4468 B11R1.1 C=CCCN1CCC(CC1)C 2230a_100000188429_100000754431 [1,1,0,0,0,0|2,0,0]=4 4469 B11R1.1 C=CCCN1CCC(CC1)C 269982a_100000188429_100000754431 [1,1,0,0,0,0|2,0,0]=4 4470 B11R1.1 C=CCCN1CCC(CC1)C 34a_100000188429_100000754431 [1,1,0,0,0,0|2,0,0]=4 4471 B11R1.1 C=CCCN1CCC(CC1)F 2230a_100015193889_100000754431 [1,1,0,0,0,0|2,0,0]=4 4472 B11R1.1 C=CCCN1CCC(CC1)F 269982a_100015193889_100000754431 [1,1,0,0,0,0|2,0,0]=4 4473 B11R1.1 C=CCCN1CCC(CC1)F 34a_100015193889_100000754431 [1,1,0,0,0,0|2,0,0]=4 4474 B11R1.1 C=CCCN1CCC(CC1)O 2230a_100025773856_100000754431 [1,1,0,0,0,0|2,0,0]=4 4475 B11R1.1 C=CCCN1CCC(CC1)O 269982a_100025773856_100000754431 [1,1,0,0,0,0|2,0,0]=4 4476 B11R1.1 C=CCNC1CCC(CC1)C 270004a_100020586998_100000185489 [1,1,0,0,0,0|2,0,0]=4 4477 B11R1.1 C=CCNC1CCC(CC1)O 270004a_100020586998_100000764474 [1,1,0,0,0,0|2,0,0]=4 4478 B11R1.1 C=CCN[C@H]1CC[C@@H](CC1)C 2230a_100020625639_100000210623 [1,1,0,0,0,0|2,0,0]=4 4479 B11R1.1 C=CCN[C@H]1CC[C@@H](CC1)C 34a_100020625639_100015514636 [1,1,0,0,0,0|2,0,0]=4 4480 B11R1.1 C=CCOC1CCC(CC1)C 34a_100000210714_100015514636 [1,1,0,0,0,0|2,0,0]=4 4481 B11R1.1 C=CCOC1CCC(CC1)C 34a_200000210373_200011216234 [1,1,0,0,0,0|2,0,0]=4 4482 B11R1.1 C=CCOC1CCC(CC1)C 7a_100000210714_100015514636 [1,1,0,0,0,0|2,0,0]=4 4483 B11R1.1 C=CCO[C@H]1CC[C@H](CC1)N 34a_100020628982_100015514636 [1,1,0,0,0,0|2,0,0]=4 4484 B11R1.1 C=CCSC1CCC(CC1)C 62a_100000210623_200011216234 [1,1,0,0,0,0|2,0,0]=4 4485 B11R1.1 CC1CCC(CC1)NCCO 270004a_100000210304_100000185489 [1,1,0,0,0,0|1,0,1]=4 4486 B11R1.1 CC1CCC(CC1)NCCO 34a_100016990907_200011216234 [1,1,0,0,0,0|1,0,1]=4 4487 B11R1.1 CC1CCC(CC1)OCC=O 34a_100000210714_200009817547 [1,1,0,0,0,0|1,0,0]=3 4488 B11R1.1 CC1CCC(CC1)OCC=O 7a_100000210714_200015260668 [1,1,0,0,0,0|1,0,0]=3 4489 B11R1.1 CC1CCC(CC1)OCCO 34a_100000210714_100000211926 [1,1,0,0,0,0|1,0,1]=4 4490 B11R1.1 CC1CCC(CC1)OCCO 7a_100000210714_100000211926 [1,1,0,0,0,0|1,0,1]=4 4491 B11R1.1 CC1CCC(CC1)SCC=O 62a_200015260668_200011216234 [1,1,0,0,0,0|1,0,0]=3 4492 B11R1.1 CC1CCC(CC1)SCCO 62a_100000211926_200011216234 [1,1,0,0,0,0|1,0,1]=4 4493 B11R1.1 CC1CCN(CC1)CCCO 2230a_100000188429_100000230001 [1,1,0,0,0,0|1,0,1]=4 4494 B11R1.1 CC1CCN(CC1)CCCO 269982a_100000188429_100011215043 [1,1,0,0,0,0|1,0,1]=4 4495 B11R1.1 CC1CCN(CC1)CCCO 34a_100000188429_100000230001 [1,1,0,0,0,0|1,0,1]=4 4496 B11R1.1 CN1CCC(CC1)CCCO 2230a_100016988962_200000210301 [1,1,0,0,0,0|1,0,1]=4 4497 B11R1.1 CN1CCC(CC1)CCCO 269982a_100016988962_200000210301 [1,1,0,0,0,0|1,0,1]=4 4498 B11R1.1 CN1CCC(CC1)CCCO 34a_100016988962_200000210301 [1,1,0,0,0,0|1,0,1]=4 4499 B11R1.1 CN1CCC(CC1)SCC=O 62a_200015260668_100011215917 [1,1,0,0,0,0|2,0,0]=4 4500 B11R1.1 CNCCC1CCC(CC1)O 34a_200011935226_200000210301 [1,1,0,0,0,0|2,0,0]=4 4501 B11R1.1 COCCC1CCC(CC1)N 34a_100000070672_200000210301 [1,1,0,0,0,0|2,0,0]=4 4502 B11R1.1 C[C@H]1CC[C@@H](CC1)NCC=O 2230a_100020625639_200015260668 [1,1,0,0,0,0|1,0,0]=3 4503 B11R1.1 C[C@H]1CC[C@@H](CC1)NCC=O 34a_100020625639_200009817547 [1,1,0,0,0,0|1,0,0]=3 4504 B11R1.1 C[C@H]1CC[C@@H](CC1)NCCO 2230a_100020625639_100000211926 [1,1,0,0,0,0|1,0,1]=4 4505 B11R1.1 C[C@H]1CC[C@@H](CC1)NCCO 34a_100020625639_100000211926 [1,1,0,0,0,0|1,0,1]=4 4506 B11R1.1 N[C@H]1CC[C@H](CC1)OCC=O 34a_100020628982_200009817547 [1,1,0,0,0,0|1,0,0]=3 4507 B11R1.1 N[C@H]1CC[C@H](CC1)OCCO 34a_100020628982_100000211926 [1,1,0,0,0,0|1,0,1]=4 4508 B11R1.1 O=CCOC1CCC(=O)CC1 34a_100000764474_200009817547 [1,1,0,0,0,0|1,0,1]=4 4509 B11R1.1 O=CCOC1CCC(=O)CC1 7a_100000764474_200015260668 [1,1,0,0,0,0|1,0,1]=4 4510 B11R1.1 OCCCN1CCC(CC1)F 2230a_100015193889_100000230001 [1,1,0,0,0,0|1,0,1]=4 4511 B11R1.1 OCCCN1CCC(CC1)F 269982a_100015193889_100011215043 [1,1,0,0,0,0|1,0,1]=4 4512 B11R1.1 OCCCN1CCC(CC1)F 34a_100015193889_100000230001 [1,1,0,0,0,0|1,0,1]=4 4513 B11R1.1 OCCCN1CCC(CC1)O 2230a_100025773856_100000230001 [1,1,0,0,0,0|1,0,1]=4 4514 B11R1.1 OCCCN1CCC(CC1)O 269982a_100025773856_100011215043 [1,1,0,0,0,0|1,0,1]=4 4515 B11R1.1 OCCNC1CCC(CC1)O 270004a_100000210304_100000764474 [1,1,0,0,0,0|1,0,1]=4 4516 B11R1.1 [13CH3]N1CCC(CC1)CCCO 2230a_100016988962_200025704644 [1,1,0,0,0,0|1,0,1]=4 4517 B11R1.1 [13CH3]N1CCC(CC1)CCCO 269982a_100016988962_200025704644 [1,1,0,0,0,0|1,0,1]=4 4518 B11R1.1 [13CH3]N1CCC(CC1)CCCO 34a_100016988962_200025704644 [1,1,0,0,0,0|1,0,1]=4 4519 B11R1.1 [13CH3]NCCC1CCC(CC1)O 34a_200011935226_200025704644 [1,1,0,0,0,0|2,0,0]=4 4520 B11R1.1 [13CH3]OCCC1CCC(CC1)N 34a_100000070672_200025704644 [1,1,0,0,0,0|2,0,0]=4 4521 B11R1.16 C=CCC(=O)C1CCCCC1 1458a_100000210193_100000210327 [1,1,0,0,0,0|1,0,1]=4 4522 B11R1.16 C=CCC(=O)C1CCCCC1 1458a_100000210647_100000210623 [1,1,0,0,0,0|1,0,1]=4 4523 B11R1.16 C=CCN(C)C1CCCCC1 2230a_100000207522_100000210623 [1,1,0,0,0,0|2,0,0]=4 4524 B11R1.16 C=CCN(C)C1CCCCC1 269982a_100000207522_100000210623 [1,1,0,0,0,0|2,0,0]=4 4525 B11R1.16 C=CCN(C)C1CCCCC1 269982a_100000225617_100000210327 [1,1,0,0,0,0|2,0,0]=4 4526 B11R1.16 C=CCN(C)C1CCCCC1 270004a_100000225617_100000210434 [1,1,0,0,0,0|2,0,0]=4 4527 B11R1.16 C=CCN(C)C1CCCCC1 34a_100000207522_100015514636 [1,1,0,0,0,0|2,0,0]=4 4528 B11R1.16 CN(CC=O)C1CCCCC1 2230a_100000207522_200015260668 [1,1,0,0,0,0|1,0,0]=3 4529 B11R1.16 CN(CC=O)C1CCCCC1 269982a_100000207522_200015260668 [1,1,0,0,0,0|1,0,0]=3 4530 B11R1.16 CN(CC=O)C1CCCCC1 34a_100000207522_200009817547 [1,1,0,0,0,0|1,0,0]=3 4531 B11R1.16 CN(CC=O)C1CCOCC1 2230a_100020587155_200015260668 [1,1,0,0,0,0|2,0,0]=4 4532 B11R1.16 CN(CC=O)C1CCOCC1 269982a_100020587155_200015260668 [1,1,0,0,0,0|2,0,0]=4 4533 B11R1.16 CN(CC=O)C1CCOCC1 34a_100020587155_200009817547 [1,1,0,0,0,0|2,0,0]=4 4534 B11R1.16 CN(CC=O)C1CCSCC1 2230a_100015184757_200015260668 [1,1,0,0,0,0|2,0,0]=4 4535 B11R1.16 CN(CC=O)C1CCSCC1 269982a_100015184757_200015260668 [1,1,0,0,0,0|2,0,0]=4 4536 B11R1.16 CN(CC=O)C1CCSCC1 34a_100015184757_200009817547 [1,1,0,0,0,0|2,0,0]=4 4537 B11R1.16 CN(CCO)C1CCCCC1 2230a_100000200466_200000210301 [1,1,0,0,0,0|1,0,1]=4 4538 B11R1.16 CN(CCO)C1CCCCC1 2230a_100000207522_100000211926 [1,1,0,0,0,0|1,0,1]=4 4539 B11R1.16 CN(CCO)C1CCCCC1 269982a_100000200466_200000210301 [1,1,0,0,0,0|1,0,1]=4 4540 B11R1.16 CN(CCO)C1CCCCC1 269982a_100000207522_100000211926 [1,1,0,0,0,0|1,0,1]=4 4541 B11R1.16 CN(CCO)C1CCCCC1 269982a_100000210263_100000210327 [1,1,0,0,0,0|1,0,1]=4 4542 B11R1.16 CN(CCO)C1CCCCC1 270004a_100000210263_100000210434 [1,1,0,0,0,0|1,0,1]=4 4543 B11R1.16 CN(CCO)C1CCCCC1 34a_100000200466_200000210301 [1,1,0,0,0,0|1,0,1]=4 4544 B11R1.16 CN(CCO)C1CCCCC1 34a_100000207522_100000211926 [1,1,0,0,0,0|1,0,1]=4 4545 B11R1.16 COC[C@H](N)C1CCCCC1 34a_100009817630_200000210301 [1,1,0,0,0,0|2,0,0]=4 4546 B11R1.16 O=C(CCO)C1CCCCC1 1458a_100000210647_100000211926 [1,1,0,0,0,0|0,0,2]=4 4547 B11R1.16 O=C(CCO)C1CCCCC1 1458a_100011216618_100000210327 [1,1,0,0,0,0|0,0,2]=4 4548 B11R1.16 [13CH3]N(CCO)C1CCCCC1 2230a_100000200466_200025704644 [1,1,0,0,0,0|1,0,1]=4 4549 B11R1.16 [13CH3]N(CCO)C1CCCCC1 269982a_100000200466_200025704644 [1,1,0,0,0,0|1,0,1]=4 4550 B11R1.16 [13CH3]N(CCO)C1CCCCC1 34a_100000200466_200025704644 [1,1,0,0,0,0|1,0,1]=4 4551 B11R1.16 [13CH3]OC[C@H](N)C1CCCCC1 34a_100009817630_200025704644 [1,1,0,0,0,0|2,0,0]=4 4552 B11R1.17 C=CCCN1CCCCC1C 2230a_100000211376_100000754431 [1,1,0,0,0,0|2,0,0]=4 4553 B11R1.17 C=CCCN1CCCCC1C 269982a_100000211376_100000754431 [1,1,0,0,0,0|2,0,0]=4 4554 B11R1.17 C=CCCN1CCCCC1C 34a_100000211376_100000754431 [1,1,0,0,0,0|2,0,0]=4 4555 B11R1.17 C=CCNC1CCCCC1C 2230a_100000211402_100000210623 [1,1,0,0,0,0|2,0,0]=4 4556 B11R1.17 C=CCNC1CCCCC1C 270004a_100020586998_100000210921 [1,1,0,0,0,0|2,0,0]=4 4557 B11R1.17 C=CCNC1CCCCC1C 34a_100000211402_100015514636 [1,1,0,0,0,0|2,0,0]=4 4558 B11R1.17 C=CCN[C@@H]1CCCC[C@H]1F 2230a_100015195156_100000210623 [1,1,0,0,0,0|2,0,0]=4 4559 B11R1.17 C=CCN[C@@H]1CCCC[C@H]1F 34a_100015195156_100015514636 [1,1,0,0,0,0|2,0,0]=4 4560 B11R1.17 C=CCOC1CCCCC1C 34a_100000211207_100015514636 [1,1,0,0,0,0|2,0,0]=4 4561 B11R1.17 C=CCOC1CCCCC1C 7a_100000211207_100015514636 [1,1,0,0,0,0|2,0,0]=4 4562 B11R1.17 C=CCOC1CCCCC1Cl 34a_100000038908_100015514636 [1,1,0,0,0,0|2,0,0]=4 4563 B11R1.17 C=CCOC1CCCCC1Cl 7a_100000038908_100015514636 [1,1,0,0,0,0|2,0,0]=4 4564 B11R1.17 C=CCOC1CCCCC1F 34a_200000210373_100015423560 [1,1,0,0,0,0|2,0,0]=4 4565 B11R1.17 C=CCOC1CCCCC1O 34a_200000210373_100000038908 [1,1,0,0,0,0|2,0,0]=4 4566 B11R1.17 C=CCO[C@@H]1CCCC[C@H]1F 34a_100009816020_100015514636 [1,1,0,0,0,0|2,0,0]=4 4567 B11R1.17 C=CCO[C@@H]1CCCC[C@H]1F 7a_100009816020_100015514636 [1,1,0,0,0,0|2,0,0]=4 4568 B11R1.17 C=CCO[C@H]1CCCC[C@H]1N 34a_100015191688_100015514636 [1,1,0,0,0,0|2,0,0]=4 4569 B11R1.17 C=CCSC1CCCCC1F 62a_100000210623_100015423560 [1,1,0,0,0,0|2,0,0]=4 4570 B11R1.17 C=CCSC1CCCCC1F 62a_100015423560_100000210623 [1,1,0,0,0,0|2,0,0]=4 4571 B11R1.17 C=CCSC1CCCCC1O 62a_100000038908_100000210623 [1,1,0,0,0,0|2,0,0]=4 4572 B11R1.17 C=CCSC1CCCCC1O 62a_100000210623_100000038908 [1,1,0,0,0,0|2,0,0]=4 4573 B11R1.17 CC1CCCCC1NCC=O 2230a_100000211402_200015260668 [1,1,0,0,0,0|1,0,0]=3 4574 B11R1.17 CC1CCCCC1NCC=O 34a_100000211402_200009817547 [1,1,0,0,0,0|1,0,0]=3 4575 B11R1.17 CC1CCCCC1NCCO 2230a_100000211402_100000211926 [1,1,0,0,0,0|1,0,1]=4 4576 B11R1.17 CC1CCCCC1NCCO 269862a_100000210304_100000210921 [1,1,0,0,0,0|1,0,1]=4 4577 B11R1.17 CC1CCCCC1NCCO 270004a_100000210304_100000210921 [1,1,0,0,0,0|1,0,1]=4 4578 B11R1.17 CC1CCCCC1NCCO 34a_100000211402_100000211926 [1,1,0,0,0,0|1,0,1]=4 4579 B11R1.17 CC1CCCCC1OCC=O 34a_100000211207_200009817547 [1,1,0,0,0,0|1,0,0]=3 4580 B11R1.17 CC1CCCCC1OCC=O 7a_100000211207_200015260668 [1,1,0,0,0,0|1,0,0]=3 4581 B11R1.17 CC1CCCCC1OCCO 34a_100000211207_100000211926 [1,1,0,0,0,0|1,0,1]=4 4582 B11R1.17 CC1CCCCC1OCCO 7a_100000211207_100000211926 [1,1,0,0,0,0|1,0,1]=4 4583 B11R1.17 CC1CCCCN1CCCO 2230a_100000211376_100000230001 [1,1,0,0,0,0|1,0,1]=4 4584 B11R1.17 CC1CCCCN1CCCO 269982a_100000211376_100011215043 [1,1,0,0,0,0|1,0,1]=4 4585 B11R1.17 CC1CCCCN1CCCO 34a_100000211376_100000230001 [1,1,0,0,0,0|1,0,1]=4 4586 B11R1.17 CC1CCNCC1OCC=O 34a_100000696640_200009817547 [1,1,0,0,0,0|2,0,0]=4 4587 B11R1.17 CC1CNCCC1OCC=O 34a_100011998114_200009817547 [1,1,0,0,0,0|2,0,0]=4 4588 B11R1.17 CN1CCCCC1CCCO 2230a_100011934581_200000210301 [1,1,0,0,0,0|1,0,1]=4 4589 B11R1.17 CN1CCCCC1CCCO 269982a_100011934581_200000210301 [1,1,0,0,0,0|1,0,1]=4 4590 B11R1.17 CN1CCCCC1CCCO 34a_100011934581_200000210301 [1,1,0,0,0,0|1,0,1]=4 4591 B11R1.17 N[C@@H]1CCCC[C@@H]1OCC=O 34a_100015191688_200009817547 [1,1,0,0,0,0|1,0,0]=3 4592 B11R1.17 N[C@@H]1CCCC[C@@H]1OCCO 34a_100015191688_100000211926 [1,1,0,0,0,0|1,0,1]=4 4593 B11R1.17 N[C@@H]1CCOC[C@@H]1OCC=O 34a_100016994285_200009817547 [1,1,0,0,0,0|2,0,0]=4 4594 B11R1.17 N[C@H]1COCC[C@@H]1OCC=O 34a_100015739063_200009817547 [1,1,0,0,0,0|2,0,0]=4 4595 B11R1.17 O=CCN[C@@H]1CCCC[C@H]1F 2230a_100015195156_200015260668 [1,1,0,0,0,0|1,0,0]=3 4596 B11R1.17 O=CCN[C@@H]1CCCC[C@H]1F 34a_100015195156_200009817547 [1,1,0,0,0,0|1,0,0]=3 4597 B11R1.17 O=CCN[C@@H]1CCOC[C@@H]1O 2230a_100016994285_200015260668 [1,1,0,0,0,0|2,0,0]=4 4598 B11R1.17 O=CCN[C@H]1CCOC[C@@H]1F 2230a_100016994078_200015260668 [1,1,0,0,0,0|2,0,0]=4 4599 B11R1.17 O=CCN[C@H]1CCOC[C@@H]1F 34a_100016994078_200009817547 [1,1,0,0,0,0|2,0,0]=4 4600 B11R1.17 O=CCN[C@H]1COCC[C@@H]1O 2230a_100015739063_200015260668 [1,1,0,0,0,0|2,0,0]=4 4601 B11R1.17 O=CCOC1CCCCC1=O 34a_100011214950_200009817547 [1,1,0,0,0,0|1,0,1]=4 4602 B11R1.17 O=CCOC1CCCCC1Cl 34a_100000038908_200009817547 [1,1,0,0,0,0|1,0,0]=3 4603 B11R1.17 O=CCOC1CCCCC1Cl 7a_100000038908_200015260668 [1,1,0,0,0,0|1,0,0]=3 4604 B11R1.17 O=CCO[C@@H]1CCCC[C@H]1F 34a_100009816020_200009817547 [1,1,0,0,0,0|1,0,0]=3 4605 B11R1.17 O=CCO[C@@H]1CCCC[C@H]1F 7a_100009816020_200015260668 [1,1,0,0,0,0|1,0,0]=3 4606 B11R1.17 O=CCO[C@@H]1CCNC[C@@H]1F 34a_200016994291_200009817547 [1,1,0,0,0,0|2,0,0]=4 4607 B11R1.17 O=CCSC1CCCCC1=O 62a_100000204591_200015260668 [1,1,0,0,0,0|1,0,1]=4 4608 B11R1.17 O=CCSC1CCCCC1=O 62a_200015260668_100000204591 [1,1,0,0,0,0|1,0,1]=4 4609 B11R1.17 O=CCSC1CCCCC1F 62a_100015423560_200015260668 [1,1,0,0,0,0|1,0,0]=3 4610 B11R1.17 O=CCSC1CCCCC1F 62a_200015260668_100015423560 [1,1,0,0,0,0|1,0,0]=3 4611 B11R1.17 O=CCSC1CCCCC1O 62a_100000038908_200015260668 [1,1,0,0,0,0|1,0,0]=3 4612 B11R1.17 O=CCSC1CCCCC1O 62a_200015260668_100000038908 [1,1,0,0,0,0|1,0,0]=3 4613 B11R1.17 OCCNC1CCCCC1F 34a_100016990907_100015423560 [1,1,0,0,0,0|1,0,1]=4 4614 B11R1.17 OCCNC1CCCCC1O 34a_100016990907_100000038908 [1,1,0,0,0,0|1,0,1]=4 4615 B11R1.17 OCCN[C@@H]1CCCC[C@H]1F 2230a_100015195156_100000211926 [1,1,0,0,0,0|1,0,1]=4 4616 B11R1.17 OCCN[C@@H]1CCCC[C@H]1F 34a_100015195156_100000211926 [1,1,0,0,0,0|1,0,1]=4 4617 B11R1.17 OCCOC1CCCCC1Cl 34a_100000038908_100000211926 [1,1,0,0,0,0|1,0,1]=4 4618 B11R1.17 OCCOC1CCCCC1Cl 7a_100000038908_100000211926 [1,1,0,0,0,0|1,0,1]=4 4619 B11R1.17 OCCO[C@@H]1CCCC[C@H]1F 34a_100009816020_100000211926 [1,1,0,0,0,0|1,0,1]=4 4620 B11R1.17 OCCO[C@@H]1CCCC[C@H]1F 7a_100009816020_100000211926 [1,1,0,0,0,0|1,0,1]=4 4621 B11R1.17 OCCSC1CCCCC1F 62a_100000211926_100015423560 [1,1,0,0,0,0|1,0,1]=4 4622 B11R1.17 OCCSC1CCCCC1F 62a_100015423560_100000211926 [1,1,0,0,0,0|1,0,1]=4 4623 B11R1.17 OCCSC1CCCCC1O 62a_100000038908_100000211926 [1,1,0,0,0,0|1,0,1]=4 4624 B11R1.17 OCCSC1CCCCC1O 62a_100000211926_100000038908 [1,1,0,0,0,0|1,0,1]=4 4625 B11R1.17 [13CH3]N1CCCCC1CCCO 2230a_100011934581_200025704644 [1,1,0,0,0,0|1,0,1]=4 4626 B11R1.17 [13CH3]N1CCCCC1CCCO 269982a_100011934581_200025704644 [1,1,0,0,0,0|1,0,1]=4 4627 B11R1.17 [13CH3]N1CCCCC1CCCO 34a_100011934581_200025704644 [1,1,0,0,0,0|1,0,1]=4 4628 B11R1.24 C=CCCN1CCCC(C1)F 2230a_100000697950_100000754431 [1,1,0,0,0,0|2,0,0]=4 4629 B11R1.24 C=CCCN1CCCC(C1)F 269982a_100000697950_100000754431 [1,1,0,0,0,0|2,0,0]=4 4630 B11R1.24 C=CCCN1CCCC(C1)F 34a_100000697950_100000754431 [1,1,0,0,0,0|2,0,0]=4 4631 B11R1.24 C=CCCN1CCCC(C1)O 2230a_100000211013_100000754431 [1,1,0,0,0,0|2,0,0]=4 4632 B11R1.24 C=CCCN1CCCC(C1)O 269982a_100000211013_100000754431 [1,1,0,0,0,0|2,0,0]=4 4633 B11R1.24 C=CCCN1CCC[C@@H](C1)C 2230a_100000717927_100000754431 [1,1,0,0,0,0|2,0,0]=4 4634 B11R1.24 C=CCCN1CCC[C@@H](C1)C 269982a_100000717927_100000754431 [1,1,0,0,0,0|2,0,0]=4 4635 B11R1.24 C=CCCN1CCC[C@@H](C1)C 34a_100000717927_100000754431 [1,1,0,0,0,0|2,0,0]=4 4636 B11R1.24 C=CCNC1CCCC(C1)C 2230a_100011194320_100000210623 [1,1,0,0,0,0|2,0,0]=4 4637 B11R1.24 C=CCNC1CCCC(C1)C 270004a_100020586998_100000183594 [1,1,0,0,0,0|2,0,0]=4 4638 B11R1.24 C=CCNC1CCCC(C1)C 34a_100011194320_100015514636 [1,1,0,0,0,0|2,0,0]=4 4639 B11R1.24 C=CCNC1CCCC(C1)O 2230a_100015190357_100000210623 [1,1,0,0,0,0|2,0,0]=4 4640 B11R1.24 C=CCNC1CCCC(C1)O 270004a_100020586998_100012613340 [1,1,0,0,0,0|2,0,0]=4 4641 B11R1.24 C=CCOC1CCCC(C1)C 34a_100000211399_100015514636 [1,1,0,0,0,0|2,0,0]=4 4642 B11R1.24 CC1CC(CCO1)OCC=O 34a_100011986385_200009817547 [1,1,0,0,0,0|2,0,0]=4 4643 B11R1.24 CC1CC(CCO1)OCC=O 7a_100011986385_200015260668 [1,1,0,0,0,0|2,0,0]=4 4644 B11R1.24 CC1CCCC(C1)NCC=O 2230a_100011194320_200015260668 [1,1,0,0,0,0|1,0,0]=3 4645 B11R1.24 CC1CCCC(C1)NCC=O 34a_100011194320_200009817547 [1,1,0,0,0,0|1,0,0]=3 4646 B11R1.24 CC1CCCC(C1)NCCO 2230a_100011194320_100000211926 [1,1,0,0,0,0|1,0,1]=4 4647 B11R1.24 CC1CCCC(C1)NCCO 270004a_100000210304_100000183594 [1,1,0,0,0,0|1,0,1]=4 4648 B11R1.24 CC1CCCC(C1)NCCO 34a_100011194320_100000211926 [1,1,0,0,0,0|1,0,1]=4 4649 B11R1.24 CC1CCCC(C1)OCC=O 34a_100000211399_200009817547 [1,1,0,0,0,0|1,0,0]=3 4650 B11R1.24 CC1CCCC(C1)OCCO 34a_100000211399_100000211926 [1,1,0,0,0,0|1,0,1]=4 4651 B11R1.24 CN1CCCC(C1)CCCO 2230a_100150707839_200000210301 [1,1,0,0,0,0|1,0,1]=4 4652 B11R1.24 CN1CCCC(C1)CCCO 269982a_100150707839_200000210301 [1,1,0,0,0,0|1,0,1]=4 4653 B11R1.24 CN1CCCC(C1)CCCO 34a_100150707839_200000210301 [1,1,0,0,0,0|1,0,1]=4 4654 B11R1.24 C[C@H]1CCCN(C1)CCCO 2230a_100000717927_100000230001 [1,1,0,0,0,0|1,0,1]=4 4655 B11R1.24 C[C@H]1CCCN(C1)CCCO 269982a_100000717927_100011215043 [1,1,0,0,0,0|1,0,1]=4 4656 B11R1.24 C[C@H]1CCCN(C1)CCCO 34a_100000717927_100000230001 [1,1,0,0,0,0|1,0,1]=4 4657 B11R1.24 O=CCNC1CCCC(C1)O 2230a_100015190357_200015260668 [1,1,0,0,0,0|1,0,0]=3 4658 B11R1.24 O=CCOC1CCCC(=O)C1 34a_100012613340_200009817547 [1,1,0,0,0,0|1,0,1]=4 4659 B11R1.24 OCCCN1CCCC(C1)F 2230a_100000697950_100000230001 [1,1,0,0,0,0|1,0,1]=4 4660 B11R1.24 OCCCN1CCCC(C1)F 269982a_100000697950_100011215043 [1,1,0,0,0,0|1,0,1]=4 4661 B11R1.24 OCCCN1CCCC(C1)F 34a_100000697950_100000230001 [1,1,0,0,0,0|1,0,1]=4 4662 B11R1.24 OCCCN1CCCC(C1)O 2230a_100000211013_100000230001 [1,1,0,0,0,0|1,0,1]=4 4663 B11R1.24 OCCCN1CCCC(C1)O 269982a_100000211013_100011215043 [1,1,0,0,0,0|1,0,1]=4 4664 B11R1.24 OCCNC1CCCC(C1)O 2230a_100015190357_100000211926 [1,1,0,0,0,0|1,0,1]=4 4665 B11R1.24 OCCNC1CCCC(C1)O 270004a_100000210304_100012613340 [1,1,0,0,0,0|1,0,1]=4 4666 B11R1.24 [13CH3]N1CCCC(C1)CCCO 2230a_100150707839_200025704644 [1,1,0,0,0,0|1,0,1]=4 4667 B11R1.24 [13CH3]N1CCCC(C1)CCCO 269982a_100150707839_200025704644 [1,1,0,0,0,0|1,0,1]=4 4668 B11R1.24 [13CH3]N1CCCC(C1)CCCO 34a_100150707839_200025704644 [1,1,0,0,0,0|1,0,1]=4 4669 B11R1.28 BrCCCOC1CCCCC1 34a_100011217188_100000210327 [1,1,0,0,0,0|1,0,1]=4 4670 B11R1.28 BrCCOCC1CCCCC1 34a_100000211926_100000211423 [1,1,0,0,0,0|1,0,1]=4 4671 B11R1.28 C#CCCNC1CCCCC1 2230a_100000182618_100000688953 [1,1,0,0,0,0|1,0,1]=4 4672 B11R1.28 C#CCCNC1CCCCC1 34a_100000182618_100000688953 [1,1,0,0,0,0|1,0,1]=4 4673 B11R1.28 C#CCCNC1CCCCC1 34a_100000755551_100000210327 [1,1,0,0,0,0|1,0,1]=4 4674 B11R1.28 C#CCCOC1CCCCC1 34a_100000210231_100000688953 [1,1,0,0,0,0|1,0,1]=4 4675 B11R1.28 C#CCCOC1CCCCC1 34a_100011215631_100000210327 [1,1,0,0,0,0|1,0,1]=4 4676 B11R1.28 C#CCCOC1CCCCC1 7a_100000210231_100000688953 [1,1,0,0,0,0|1,0,1]=4 4677 B11R1.28 C#CCCSC1CCCCC1 62a_100000210327_100000688953 [1,1,0,0,0,0|1,0,1]=4 4678 B11R1.28 C#CCCSC1CCCCC1 62a_100000688953_100000210327 [1,1,0,0,0,0|1,0,1]=4 4679 B11R1.28 C#CCNCC1CCCCC1 2230a_100000210473_100000038162 [1,1,0,0,0,0|1,0,1]=4 4680 B11R1.28 C#CCNCC1CCCCC1 34a_100000210473_100000184674 [1,1,0,0,0,0|1,0,1]=4 4681 B11R1.28 C#CCNCC1CCCCC1 34a_100000212058_100000211423 [1,1,0,0,0,0|1,0,1]=4 4682 B11R1.28 C#CCOCC1CCCCC1 34a_100000210247_100000211423 [1,1,0,0,0,0|1,0,1]=4 4683 B11R1.28 C#CCOCC1CCCCC1 34a_100000212181_100000184674 [1,1,0,0,0,0|1,0,1]=4 4684 B11R1.28 C#CCOCC1CCCCC1 7a_100000212181_100000038162 [1,1,0,0,0,0|1,0,1]=4 4685 B11R1.28 C#CCSCC1CCCCC1 62a_100000038162_100000211423 [1,1,0,0,0,0|1,0,1]=4 4686 B11R1.28 C/C=C/CNC1CCCCC1 34a_100000182618_100102629194 [1,1,0,0,0,0|1,0,1]=4 4687 B11R1.28 C/C=C/COC1CCCCC1 34a_100000210231_100102629194 [1,1,0,0,0,0|1,0,1]=4 4688 B11R1.28 C/C=C/COC1CCCCC1 34a_100016270725_100000210327 [1,1,0,0,0,0|1,0,1]=4 4689 B11R1.28 C/C=C/COC1CCCCC1 7a_100000210231_100102629194 [1,1,0,0,0,0|1,0,1]=4 4690 B11R1.28 C/C=C/CSC1CCCCC1 62a_100000210327_100102629194 [1,1,0,0,0,0|1,0,1]=4 4691 B11R1.28 C/C=C/CSC1CCCCC1 62a_100102629194_100000210327 [1,1,0,0,0,0|1,0,1]=4 4692 B11R1.28 C=CCCNC1CCCCC1 2230a_100000182618_100000754431 [1,1,0,0,0,0|1,0,0]=3 4693 B11R1.28 C=CCCNC1CCCCC1 270004a_100015191253_100000210434 [1,1,0,0,0,0|1,0,0]=3 4694 B11R1.28 C=CCCNC1CCCCC1 34a_100000182618_100000754431 [1,1,0,0,0,0|1,0,0]=3 4695 B11R1.28 C=CCCNC1CCCOC1 2230a_100000719290_100000754431 [1,1,0,0,0,0|2,0,0]=4 4696 B11R1.28 C=CCCNC1CCCOC1 270004a_100015191253_100000753404 [1,1,0,0,0,0|2,0,0]=4 4697 B11R1.28 C=CCCNC1CCCOC1 34a_100000719290_100000754431 [1,1,0,0,0,0|2,0,0]=4 4698 B11R1.28 C=CCCNC1CCCSC1 270004a_100015191253_100000057913 [1,1,0,0,0,0|2,0,0]=4 4699 B11R1.28 C=CCCNC1CCNCC1 270004a_100015191253_100015192401 [1,1,0,0,0,0|2,0,0]=4 4700 B11R1.28 C=CCCNC1CCOCC1 2230a_100000741149_100000754431 [1,1,0,0,0,0|2,0,0]=4 4701 B11R1.28 C=CCCNC1CCOCC1 270004a_100015191253_100011217826 [1,1,0,0,0,0|2,0,0]=4 4702 B11R1.28 C=CCCNC1CCOCC1 34a_100000741149_100000754431 [1,1,0,0,0,0|2,0,0]=4 4703 B11R1.28 C=CCCNC1CCSCC1 2230a_100000748639_100000754431 [1,1,0,0,0,0|2,0,0]=4 4704 B11R1.28 C=CCCNC1CCSCC1 270004a_100015191253_100000203788 [1,1,0,0,0,0|2,0,0]=4 4705 B11R1.28 C=CCCNC1CCSCC1 34a_100000748639_100000754431 [1,1,0,0,0,0|2,0,0]=4 4706 B11R1.28 C=CCCOC1CCCCC1 34a_100000210231_100000754431 [1,1,0,0,0,0|1,0,0]=3 4707 B11R1.28 C=CCCOC1CCCCC1 34a_100011205117_100000210327 [1,1,0,0,0,0|1,0,0]=3 4708 B11R1.28 C=CCCOC1CCCCC1 7a_100000210231_100000754431 [1,1,0,0,0,0|1,0,0]=3 4709 B11R1.28 C=CCCOC1CCCCO1 34a_100000033831_100000754431 [1,1,0,0,0,0|2,0,0]=4 4710 B11R1.28 C=CCCOC1CCCOC1 34a_100000754041_100000754431 [1,1,0,0,0,0|2,0,0]=4 4711 B11R1.28 C=CCCOC1CCCOC1 34a_100011205117_100000693364 [1,1,0,0,0,0|2,0,0]=4 4712 B11R1.28 C=CCCOC1CCCSC1 7a_100015962668_100000754431 [1,1,0,0,0,0|2,0,0]=4 4713 B11R1.28 C=CCCOC1CCOCC1 34a_100000744328_100000754431 [1,1,0,0,0,0|2,0,0]=4 4714 B11R1.28 C=CCCOC1CCSCC1 34a_100000731022_100000754431 [1,1,0,0,0,0|2,0,0]=4 4715 B11R1.28 C=CCCOC1CCSCC1 34a_100011205117_100000069128 [1,1,0,0,0,0|2,0,0]=4 4716 B11R1.28 C=CCCOC1CCSCC1 7a_100000731022_100000754431 [1,1,0,0,0,0|2,0,0]=4 4717 B11R1.28 C=CCCSC1CCCCC1 62a_100000210327_100000754431 [1,1,0,0,0,0|1,0,0]=3 4718 B11R1.28 C=CCCSC1CCCCC1 62a_100000754431_100000210327 [1,1,0,0,0,0|1,0,0]=3 4719 B11R1.28 C=CCCSC1CCCOC1 62a_100000754431_100000693364 [1,1,0,0,0,0|2,0,0]=4 4720 B11R1.28 C=CCCSC1CCOCC1 62a_100000754431_100011324220 [1,1,0,0,0,0|2,0,0]=4 4721 B11R1.28 C=CCCSC1CCSCC1 62a_100000754431_100000069128 [1,1,0,0,0,0|2,0,0]=4 4722 B11R1.28 C=CCNCC1CCCCC1 2230a_100000210473_100000210623 [1,1,0,0,0,0|1,0,0]=3 4723 B11R1.28 C=CCNCC1CCCCC1 2230a_100020586998_100000211423 [1,1,0,0,0,0|1,0,0]=3 4724 B11R1.28 C=CCNCC1CCCCC1 34a_100000210473_100015514636 [1,1,0,0,0,0|1,0,0]=3 4725 B11R1.28 C=CCNCC1CCCCO1 2230a_100000174945_100000210623 [1,1,0,0,0,0|2,0,0]=4 4726 B11R1.28 C=CCNCC1CCCCO1 2230a_100020586998_100000211543 [1,1,0,0,0,0|2,0,0]=4 4727 B11R1.28 C=CCNCC1CCCCO1 34a_100000174945_100015514636 [1,1,0,0,0,0|2,0,0]=4 4728 B11R1.28 C=CCNCC1CCCOC1 2230a_100000720124_100000210623 [1,1,0,0,0,0|2,0,0]=4 4729 B11R1.28 C=CCNCC1CCCOC1 2230a_100020586998_100000741521 [1,1,0,0,0,0|2,0,0]=4 4730 B11R1.28 C=CCNCC1CCCOC1 34a_100000720124_100015514636 [1,1,0,0,0,0|2,0,0]=4 4731 B11R1.28 C=CCNCC1CCOCC1 2230a_100000746373_100000210623 [1,1,0,0,0,0|2,0,0]=4 4732 B11R1.28 C=CCNCC1CCOCC1 2230a_100020586998_100000754603 [1,1,0,0,0,0|2,0,0]=4 4733 B11R1.28 C=CCNCC1CCOCC1 34a_100000746373_100015514636 [1,1,0,0,0,0|2,0,0]=4 4734 B11R1.28 C=CCNCC1CCSCC1 2230a_100015188806_100000210623 [1,1,0,0,0,0|2,0,0]=4 4735 B11R1.28 C=CCNCC1CCSCC1 270004a_100020586998_100000067145 [1,1,0,0,0,0|2,0,0]=4 4736 B11R1.28 C=CCNCC1CCSCC1 34a_100015188806_100015514636 [1,1,0,0,0,0|2,0,0]=4 4737 B11R1.28 C=CCOCC1CCCCC1 34a_100000212181_100015514636 [1,1,0,0,0,0|1,0,0]=3 4738 B11R1.28 C=CCOCC1CCCCC1 34a_200000210373_100000211423 [1,1,0,0,0,0|1,0,0]=3 4739 B11R1.28 C=CCOCC1CCCCC1 7a_100000212181_100015514636 [1,1,0,0,0,0|1,0,0]=3 4740 B11R1.28 C=CCOCC1CCCCN1 34a_100000210821_100015514636 [1,1,0,0,0,0|2,0,0]=4 4741 B11R1.28 C=CCOCC1CCCCO1 34a_100000211370_100015514636 [1,1,0,0,0,0|2,0,0]=4 4742 B11R1.28 C=CCOCC1CCCCO1 34a_200000210373_100000211543 [1,1,0,0,0,0|2,0,0]=4 4743 B11R1.28 C=CCOCC1CCCCO1 7a_100000211370_100015514636 [1,1,0,0,0,0|2,0,0]=4 4744 B11R1.28 C=CCOCC1CCCNC1 34a_100000211344_100015514636 [1,1,0,0,0,0|2,0,0]=4 4745 B11R1.28 C=CCOCC1CCCOC1 34a_100000741520_100015514636 [1,1,0,0,0,0|2,0,0]=4 4746 B11R1.28 C=CCOCC1CCCOC1 34a_200000210373_100000741521 [1,1,0,0,0,0|2,0,0]=4 4747 B11R1.28 C=CCOCC1CCNCC1 34a_100000738675_100015514636 [1,1,0,0,0,0|2,0,0]=4 4748 B11R1.28 C=CCOCC1CCOCC1 34a_100000749013_100015514636 [1,1,0,0,0,0|2,0,0]=4 4749 B11R1.28 C=CCOCC1CCOCC1 34a_200000210373_100000754603 [1,1,0,0,0,0|2,0,0]=4 4750 B11R1.28 C=CCOCC1CCSCC1 34a_100000070558_100015514636 [1,1,0,0,0,0|2,0,0]=4 4751 B11R1.28 C=CCOCC1CCSCC1 7a_100000070558_100015514636 [1,1,0,0,0,0|2,0,0]=4 4752 B11R1.28 C=CCSCC1CCCCC1 62a_100000210623_100000211423 [1,1,0,0,0,0|1,0,0]=3 4753 B11R1.28 C=CCSCC1CCCCC1 62a_100000211423_100000210623 [1,1,0,0,0,0|1,0,0]=3 4754 B11R1.28 C=CCSCC1CCCCO1 62a_100000210623_100000211543 [1,1,0,0,0,0|2,0,0]=4 4755 B11R1.28 C=CCSCC1CCCCO1 62a_100000211543_100000210623 [1,1,0,0,0,0|2,0,0]=4 4756 B11R1.28 C=CCSCC1CCCOC1 62a_100000210623_100000741521 [1,1,0,0,0,0|2,0,0]=4 4757 B11R1.28 C=CCSCC1CCCOC1 62a_100000741521_100000210623 [1,1,0,0,0,0|2,0,0]=4 4758 B11R1.28 C=CCSCC1CCOCC1 62a_100000210623_100000749018 [1,1,0,0,0,0|2,0,0]=4 4759 B11R1.28 C=CCSCC1CCOCC1 62a_100000754603_100000210623 [1,1,0,0,0,0|2,0,0]=4 4760 B11R1.28 CC=CCNC1CCCCC1 2230a_100000182618_100000070051 [1,1,0,0,0,0|1,0,1]=4 4761 B11R1.28 CC=CCNC1CCCCC1 34a_100000182618_100000070051 [1,1,0,0,0,0|1,0,1]=4 4762 B11R1.28 CC=CCOC1CCCCC1 34a_100000210231_100000070051 [1,1,0,0,0,0|1,0,1]=4 4763 B11R1.28 CC=CCOC1CCCCC1 7a_100000210231_100000070051 [1,1,0,0,0,0|1,0,1]=4 4764 B11R1.28 CC=CCSC1CCCCC1 62a_100000070051_100000210327 [1,1,0,0,0,0|1,0,1]=4 4765 B11R1.28 CC=CCSC1CCCCC1 62a_100000210327_100000070051 [1,1,0,0,0,0|1,0,1]=4 4766 B11R1.28 CC=NNCC1CCCCC1 4a_100000740227_200000210099 [1,1,0,0,0,0|2,0,0]=4 4767 B11R1.28 CCCCNC1CCCCC1 2230a_100000182618_100000210211 [1,1,0,0,0,0|1,0,1]=4 4768 B11R1.28 CCCCNC1CCCCC1 270004a_100000102301_100000210434 [1,1,0,0,0,0|1,0,1]=4 4769 B11R1.28 CCCCNC1CCCCC1 34a_100000182618_100000210210 [1,1,0,0,0,0|1,0,1]=4 4770 B11R1.28 CCCCNC1CCCCC1 7a_106832991798_100000210327 [1,1,0,0,0,0|1,0,1]=4 4771 B11R1.28 CCCCOC1CCCCC1 34a_100000210227_100000210327 [1,1,0,0,0,0|1,0,1]=4 4772 B11R1.28 CCCCOC1CCCCC1 34a_100000210231_100000210210 [1,1,0,0,0,0|1,0,1]=4 4773 B11R1.28 CCCCOC1CCCCC1 7a_100000210227_100000210327 [1,1,0,0,0,0|1,0,1]=4 4774 B11R1.28 CCCCOC1CCCCC1 7a_100000210231_100000210211 [1,1,0,0,0,0|1,0,1]=4 4775 B11R1.28 CCCCSC1CCCCC1 62a_100000210211_100000210327 [1,1,0,0,0,0|1,0,1]=4 4776 B11R1.28 CCCCSC1CCCCC1 62a_100000210327_100000210210 [1,1,0,0,0,0|1,0,1]=4 4777 B11R1.28 CCCNCC1CCCCC1 2230a_100000210473_100000210303 [1,1,0,0,0,0|1,0,1]=4 4778 B11R1.28 CCCNCC1CCCCC1 269862a_100020643023_100000211278 [1,1,0,0,0,0|1,0,1]=4 4779 B11R1.28 CCCNCC1CCCCC1 34a_100000210473_100000210303 [1,1,0,0,0,0|1,0,1]=4 4780 B11R1.28 CCCOCC1CCCCC1 34a_100000210258_100000211423 [1,1,0,0,0,0|1,0,1]=4 4781 B11R1.28 CCCOCC1CCCCC1 34a_100000212181_100000210303 [1,1,0,0,0,0|1,0,1]=4 4782 B11R1.28 CCCOCC1CCCCC1 7a_100000212181_100000210303 [1,1,0,0,0,0|1,0,1]=4 4783 B11R1.28 CCCSCC1CCCCC1 62a_100000210303_100000211423 [1,1,0,0,0,0|1,0,1]=4 4784 B11R1.28 CCCSCC1CCCCC1 62a_100000211423_100000210303 [1,1,0,0,0,0|1,0,1]=4 4785 B11R1.28 CCNCCC1CCCCC1 2230a_100000738074_100000210202 [1,1,0,0,0,0|1,0,1]=4 4786 B11R1.28 CCNCCC1CCCCC1 2230a_100015525214_100012355289 [1,1,0,0,0,0|1,0,1]=4 4787 B11R1.28 CCNCCC1CCCCC1 270004a_100015525214_100011713444 [1,1,0,0,0,0|1,0,1]=4 4788 B11R1.28 CCNCCC1CCCCC1 34a_100000738074_100000210202 [1,1,0,0,0,0|1,0,1]=4 4789 B11R1.28 CCOCCC1CCCCC1 34a_100011217863_100000210202 [1,1,0,0,0,0|1,0,1]=4 4790 B11R1.28 CCOCCC1CCCCC1 34a_100121572206_100011209188 [1,1,0,0,0,0|1,0,1]=4 4791 B11R1.28 CCOCCC1CCCCC1 7a_100011217863_100000210202 [1,1,0,0,0,0|1,0,1]=4 4792 B11R1.28 CCSCCC1CCCCC1 62a_100000210202_100012355289 [1,1,0,0,0,0|1,0,1]=4 4793 B11R1.28 CCSCCC1CCCCC1 62a_100012355289_100000210202 [1,1,0,0,0,0|1,0,1]=4 4794 B11R1.28 CNCCCC1CCCCC1 2230a_100011211642_200000210301 [1,1,0,0,0,0|1,0,1]=4 4795 B11R1.28 CNCCCC1CCCCC1 2230a_106832991635_100011713725 [1,1,0,0,0,0|1,0,1]=4 4796 B11R1.28 CNCCCC1CCCCC1 34a_100011211642_200000210301 [1,1,0,0,0,0|1,0,1]=4 4797 B11R1.28 CNCCCC1CCCCC1 34a_100102657272_100011713725 [1,1,0,0,0,0|1,0,1]=4 4798 B11R1.28 CNCCCC1CCCCC1 7a_106832991635_100011713725 [1,1,0,0,0,0|1,0,1]=4 4799 B11R1.28 CNCCOC1CCCCC1 2230a_106832991635_100011211530 [1,1,0,0,0,0|2,0,0]=4 4800 B11R1.28 CNCCOC1CCCCC1 34a_100015206981_200000210301 [1,1,0,0,0,0|2,0,0]=4 4801 B11R1.28 CNCCOC1CCCCC1 34a_100102657272_100011211530 [1,1,0,0,0,0|2,0,0]=4 4802 B11R1.28 CNCCOC1CCCCC1 7a_106832991635_100011211530 [1,1,0,0,0,0|2,0,0]=4 4803 B11R1.28 COCCCC1CCCCC1 34a_100000198086_200000210301 [1,1,0,0,0,0|0,0,1]=3 4804 B11R1.28 COCCCC1CCCCC1 34a_100138415774_100011713725 [1,1,0,0,0,0|0,0,1]=3 4805 B11R1.28 COCCCC1CCCCC1 7a_100000198086_200000210301 [1,1,0,0,0,0|0,0,1]=3 4806 B11R1.28 COCCCC1CCCCN1 34a_100011934581_200000210301 [1,1,0,0,0,0|1,0,1]=4 4807 B11R1.28 COCCCC1CCCNC1 34a_100150707839_200000210301 [1,1,0,0,0,0|1,0,1]=4 4808 B11R1.28 COCCCC1CCNCC1 34a_100016988962_200000210301 [1,1,0,0,0,0|1,0,1]=4 4809 B11R1.28 COCCCN1CCCCC1 34a_100000212458_200000210301 [1,1,0,0,0,0|1,0,1]=4 4810 B11R1.28 COCCCN1CCCCC1 34a_100138415774_100000690320 [1,1,0,0,0,0|1,0,1]=4 4811 B11R1.28 COCCNC1CCCCC1 2230a_100000182618_100011201679 [1,1,0,0,0,0|1,0,1]=4 4812 B11R1.28 COCCNC1CCCCC1 270004a_100000209980_100000210434 [1,1,0,0,0,0|1,0,1]=4 4813 B11R1.28 COCCNC1CCCCC1 34a_100000182618_100011201679 [1,1,0,0,0,0|1,0,1]=4 4814 B11R1.28 COCCNC1CCCCC1 34a_100000200466_200000210301 [1,1,0,0,0,0|1,0,1]=4 4815 B11R1.28 COCCOC1CCCCC1 34a_100000210231_100011201679 [1,1,0,0,0,0|1,0,1]=4 4816 B11R1.28 COCCOC1CCCCC1 34a_100000210237_100000210327 [1,1,0,0,0,0|1,0,1]=4 4817 B11R1.28 COCCOC1CCCCC1 34a_100011249652_200000210301 [1,1,0,0,0,0|1,0,1]=4 4818 B11R1.28 COCCOC1CCCCC1 34a_100138415774_100011211530 [1,1,0,0,0,0|1,0,1]=4 4819 B11R1.28 COCCOC1CCCCC1 7a_100000210231_100000233755 [1,1,0,0,0,0|1,0,1]=4 4820 B11R1.28 COCCOC1CCCCC1 7a_100011249652_200000210301 [1,1,0,0,0,0|1,0,1]=4 4821 B11R1.28 COCCSC1CCCCC1 62a_100000210327_100000233755 [1,1,0,0,0,0|1,0,1]=4 4822 B11R1.28 COCCSC1CCCCC1 62a_100000233755_100000210327 [1,1,0,0,0,0|1,0,1]=4 4823 B11R1.28 COCNCC1CCCCC1 2230a_100000210473_100000766300 [1,1,0,0,0,0|1,0,1]=4 4824 B11R1.28 COCSCC1CCCCC1 62a_100000211423_100000766300 [1,1,0,0,0,0|1,0,1]=4 4825 B11R1.28 COCSCC1CCCCC1 62a_100000766300_100000211423 [1,1,0,0,0,0|1,0,1]=4 4826 B11R1.28 CSCCCC1CCCCC1 62a_100011713725_200000210301 [1,1,0,0,0,0|0,1,1]=4 4827 B11R1.28 CSCCCC1CCCCC1 62a_200000210301_100011713725 [1,1,0,0,0,0|0,1,1]=4 4828 B11R1.28 CSCCNC1CCCCC1 2230a_100000182618_100000751147 [1,1,0,0,0,0|2,0,0]=4 4829 B11R1.28 CSCCNC1CCCCC1 270004a_100020590264_100000210434 [1,1,0,0,0,0|2,0,0]=4 4830 B11R1.28 CSCCNC1CCCCC1 34a_100000182618_100000212216 [1,1,0,0,0,0|2,0,0]=4 4831 B11R1.28 CSCCOC1CCCCC1 34a_100000210231_100000212216 [1,1,0,0,0,0|2,0,0]=4 4832 B11R1.28 CSCCOC1CCCCC1 34a_100000230434_100000210327 [1,1,0,0,0,0|2,0,0]=4 4833 B11R1.28 CSCCOC1CCCCC1 62a_100011211530_200000210301 [1,1,0,0,0,0|2,0,0]=4 4834 B11R1.28 CSCCOC1CCCCC1 62a_200000210301_100011211530 [1,1,0,0,0,0|2,0,0]=4 4835 B11R1.28 CSCCOC1CCCCC1 7a_100000210231_100000212216 [1,1,0,0,0,0|2,0,0]=4 4836 B11R1.28 CSCCOC1CCCCC1 7a_100000230434_100000210327 [1,1,0,0,0,0|2,0,0]=4 4837 B11R1.28 CSCCSC1CCCCC1 62a_100000210327_100000751147 [1,1,0,0,0,0|2,0,0]=4 4838 B11R1.28 CSCCSC1CCCCC1 62a_100000212216_100000210327 [1,1,0,0,0,0|2,0,0]=4 4839 B11R1.28 CSCNCC1CCCCC1 2230a_100000210473_100011218213 [1,1,0,0,0,0|2,0,0]=4 4840 B11R1.28 CSCNCC1CCCCC1 34a_100000210473_100011218213 [1,1,0,0,0,0|2,0,0]=4 4841 B11R1.28 CSCOCC1CCCCC1 34a_100000212181_100011218213 [1,1,0,0,0,0|2,0,0]=4 4842 B11R1.28 CSCSCC1CCCCC1 62a_100000211423_100011218213 [1,1,0,0,0,0|2,0,0]=4 4843 B11R1.28 CSCSCC1CCCCC1 62a_100011218213_100000211423 [1,1,0,0,0,0|2,0,0]=4 4844 B11R1.28 ClCCCOC1CCCCC1 34a_100000230001_100000210327 [1,1,0,0,0,0|1,0,1]=4 4845 B11R1.28 FCCCNC1CCCCC1 2230a_100000182618_100011934791 [1,1,0,0,0,0|1,0,1]=4 4846 B11R1.28 FCCCNC1CCCCC1 270004a_100015189416_100000210434 [1,1,0,0,0,0|1,0,1]=4 4847 B11R1.28 FCCCNC1CCCCC1 34a_100000182618_100011934791 [1,1,0,0,0,0|1,0,1]=4 4848 B11R1.28 FCCCNC1CCCCC1 34a_100015189416_100000210327 [1,1,0,0,0,0|1,0,1]=4 4849 B11R1.28 FCCCOC1CCCCC1 34a_100000210231_100011934791 [1,1,0,0,0,0|1,0,1]=4 4850 B11R1.28 FCCCOC1CCCCC1 34a_100000759539_100000210327 [1,1,0,0,0,0|1,0,1]=4 4851 B11R1.28 FCCCOC1CCCCC1 7a_100000210231_100011934791 [1,1,0,0,0,0|1,0,1]=4 4852 B11R1.28 FCCCSC1CCCCC1 62a_100000210327_100011934791 [1,1,0,0,0,0|1,0,1]=4 4853 B11R1.28 FCCCSC1CCCCC1 62a_100011934791_100000210327 [1,1,0,0,0,0|1,0,1]=4 4854 B11R1.28 FCCNCC1CCCCC1 2230a_100000210473_100011217306 [1,1,0,0,0,0|1,0,1]=4 4855 B11R1.28 FCCNCC1CCCCC1 269862a_100000724931_100000211278 [1,1,0,0,0,0|1,0,1]=4 4856 B11R1.28 FCCNCC1CCCCC1 34a_100000210473_100011217306 [1,1,0,0,0,0|1,0,1]=4 4857 B11R1.28 FCCNCC1CCCCC1 34a_100000724931_100000211423 [1,1,0,0,0,0|1,0,1]=4 4858 B11R1.28 FCCOCC1CCCCC1 34a_100000212181_100011217306 [1,1,0,0,0,0|1,0,1]=4 4859 B11R1.28 FCCOCC1CCCCC1 7a_100000212181_100011217306 [1,1,0,0,0,0|1,0,1]=4 4860 B11R1.28 FCCSCC1CCCCC1 62a_100000211423_100011217306 [1,1,0,0,0,0|1,0,1]=4 4861 B11R1.28 FCCSCC1CCCCC1 62a_100011217306_100000211423 [1,1,0,0,0,0|1,0,1]=4 4862 B11R1.28 FCNCCC1CCCCC1 34a_100000738074_100015361967 [1,1,0,0,0,0|1,0,1]=4 4863 B11R1.28 FCOCCC1CCCCC1 34a_100011217863_100015361967 [1,1,0,0,0,0|1,0,1]=4 4864 B11R1.28 FCOCCC1CCCCC1 7a_100011217863_100015361967 [1,1,0,0,0,0|1,0,1]=4 4865 B11R1.28 FCSCCC1CCCCC1 62a_100012355289_100015361967 [1,1,0,0,0,0|1,0,1]=4 4866 B11R1.28 FCSCCC1CCCCC1 62a_100015361967_100012355289 [1,1,0,0,0,0|1,0,1]=4 4867 B11R1.28 N#CCCNC1CCCCC1 2230a_100000182618_100011215226 [1,1,0,0,0,0|1,0,1]=4 4868 B11R1.28 N#CCCNC1CCCCC1 270004a_100000720768_100000210434 [1,1,0,0,0,0|1,0,1]=4 4869 B11R1.28 N#CCCOC1CCCCC1 7a_100000210231_100000184422 [1,1,0,0,0,0|1,0,1]=4 4870 B11R1.28 N#CCCSC1CCCCC1 62a_100000210327_100011215226 [1,1,0,0,0,0|1,0,1]=4 4871 B11R1.28 N#CCCSC1CCCCC1 62a_100011215226_100000210327 [1,1,0,0,0,0|1,0,1]=4 4872 B11R1.28 N#CCNCC1CCCCC1 2230a_100000210473_100011215382 [1,1,0,0,0,0|1,0,1]=4 4873 B11R1.28 N#CCOCC1CCCCC1 7a_100000212181_100011215382 [1,1,0,0,0,0|1,0,1]=4 4874 B11R1.28 N#CCSCC1CCCCC1 62a_100000211423_100011215382 [1,1,0,0,0,0|1,0,1]=4 4875 B11R1.28 N#CCSCC1CCCCC1 62a_100011215382_100000211423 [1,1,0,0,0,0|1,0,1]=4 4876 B11R1.28 NCCCOC1CCCCC1 34a_100000182051_100000210327 [1,1,0,0,0,0|1,0,1]=4 4877 B11R1.28 NCCOCC1CCCCC1 34a_100000210304_100000211423 [1,1,0,0,0,0|1,0,1]=4 4878 B11R1.28 NOCCOC1CCCCC1 34a_100000700252_100000210327 [1,1,0,0,0,0|1,0,1]=4 4879 B11R1.28 O=CCCCN1CCCOC1 2230a_100000131196_200011292268 [1,1,0,0,0,0|2,0,0]=4 4880 B11R1.28 O=CCCCN1CCCOC1 269982a_100000131196_200011292268 [1,1,0,0,0,0|2,0,0]=4 4881 B11R1.28 O=CCCCN1CCOCC1 2230a_100015191051_200011292268 [1,1,0,0,0,0|2,0,0]=4 4882 B11R1.28 O=CCCCN1CCOCC1 269982a_100015191051_200011292268 [1,1,0,0,0,0|2,0,0]=4 4883 B11R1.28 O=CCCCN1CCSCC1 2230a_100000737611_200011292268 [1,1,0,0,0,0|2,0,0]=4 4884 B11R1.28 O=CCCCN1CCSCC1 269982a_100000737611_200011292268 [1,1,0,0,0,0|2,0,0]=4 4885 B11R1.28 O=CCNCC1CCCCC1 2230a_100000210473_200015260668 [1,1,0,0,0,0|0,0,0]=2 4886 B11R1.28 O=CCNCC1CCCCC1 34a_100000210473_200009817547 [1,1,0,0,0,0|0,0,0]=2 4887 B11R1.28 O=CCNCC1CCCCO1 2230a_100000174945_200015260668 [1,1,0,0,0,0|1,0,0]=3 4888 B11R1.28 O=CCNCC1CCCCO1 34a_100000174945_200009817547 [1,1,0,0,0,0|1,0,0]=3 4889 B11R1.28 O=CCNCC1CCCOC1 2230a_100000720124_200015260668 [1,1,0,0,0,0|1,0,0]=3 4890 B11R1.28 O=CCNCC1CCCOC1 34a_100000720124_200009817547 [1,1,0,0,0,0|1,0,0]=3 4891 B11R1.28 O=CCNCC1CCOCC1 2230a_100000746373_200015260668 [1,1,0,0,0,0|1,0,0]=3 4892 B11R1.28 O=CCNCC1CCOCC1 34a_100000746373_200009817547 [1,1,0,0,0,0|1,0,0]=3 4893 B11R1.28 O=CCNCC1CCSCC1 2230a_100015188806_200015260668 [1,1,0,0,0,0|1,0,0]=3 4894 B11R1.28 O=CCNCC1CCSCC1 34a_100015188806_200009817547 [1,1,0,0,0,0|1,0,0]=3 4895 B11R1.28 O=CCNC[C@H]1COCCO1 2230a_100010981119_200015260668 [1,1,0,0,0,0|2,0,0]=4 4896 B11R1.28 O=CCNC[C@H]1COCCO1 34a_100010981119_200009817547 [1,1,0,0,0,0|2,0,0]=4 4897 B11R1.28 O=CCOCC1CC=CCC1 34a_100000210713_200009817547 [1,1,0,0,0,0|0,0,2]=4 4898 B11R1.28 O=CCOCC1CCCCC1 34a_100000212181_200009817547 [1,1,0,0,0,0|0,0,0]=2 4899 B11R1.28 O=CCOCC1CCCCC1 7a_100000212181_200015260668 [1,1,0,0,0,0|0,0,0]=2 4900 B11R1.28 O=CCOCC1CCCCN1 34a_100000210821_200009817547 [1,1,0,0,0,0|1,0,0]=3 4901 B11R1.28 O=CCOCC1CCCCO1 34a_100000211370_200009817547 [1,1,0,0,0,0|1,0,0]=3 4902 B11R1.28 O=CCOCC1CCCCO1 7a_100000211370_200015260668 [1,1,0,0,0,0|1,0,0]=3 4903 B11R1.28 O=CCOCC1CCCNC1 34a_100000211344_200009817547 [1,1,0,0,0,0|1,0,0]=3 4904 B11R1.28 O=CCOCC1CCCOC1 34a_100000741520_200009817547 [1,1,0,0,0,0|1,0,0]=3 4905 B11R1.28 O=CCOCC1CCNCC1 34a_100000738675_200009817547 [1,1,0,0,0,0|1,0,0]=3 4906 B11R1.28 O=CCOCC1CCOCC1 34a_100000749013_200009817547 [1,1,0,0,0,0|1,0,0]=3 4907 B11R1.28 O=CCOCC1CCSCC1 34a_100000070558_200009817547 [1,1,0,0,0,0|1,0,0]=3 4908 B11R1.28 O=CCOCC1CCSCC1 7a_100000070558_200015260668 [1,1,0,0,0,0|1,0,0]=3 4909 B11R1.28 O=CCOC[C@@H]1CNCCO1 34a_100015189573_200009817547 [1,1,0,0,0,0|2,0,0]=4 4910 B11R1.28 O=CCOC[C@@H]1COCCN1 34a_100000717676_200009817547 [1,1,0,0,0,0|2,0,0]=4 4911 B11R1.28 O=CCOC[C@H]1COCCO1 34a_100009875890_200009817547 [1,1,0,0,0,0|2,0,0]=4 4912 B11R1.28 O=CCSCC1CCCCC1 62a_100000211423_200015260668 [1,1,0,0,0,0|0,0,0]=2 4913 B11R1.28 O=CCSCC1CCCCC1 62a_200015260668_100000211423 [1,1,0,0,0,0|0,0,0]=2 4914 B11R1.28 O=CCSCC1CCCCO1 62a_100000211543_200015260668 [1,1,0,0,0,0|1,0,0]=3 4915 B11R1.28 O=CCSCC1CCCCO1 62a_200015260668_100000211543 [1,1,0,0,0,0|1,0,0]=3 4916 B11R1.28 O=CCSCC1CCCOC1 62a_100000741521_200015260668 [1,1,0,0,0,0|1,0,0]=3 4917 B11R1.28 O=CCSCC1CCCOC1 62a_200015260668_100000741521 [1,1,0,0,0,0|1,0,0]=3 4918 B11R1.28 O=CCSCC1CCOCC1 62a_100000754603_200015260668 [1,1,0,0,0,0|1,0,0]=3 4919 B11R1.28 O=CCSCC1CCOCC1 62a_200015260668_100000749018 [1,1,0,0,0,0|1,0,0]=3 4920 B11R1.28 OCCCNC1CCCCC1 2230a_100000182618_100000230001 [1,1,0,0,0,0|0,0,1]=3 4921 B11R1.28 OCCCNC1CCCCC1 270004a_100000182051_100000210434 [1,1,0,0,0,0|0,0,1]=3 4922 B11R1.28 OCCCNC1CCCCC1 34a_100000182618_100000230001 [1,1,0,0,0,0|0,0,1]=3 4923 B11R1.28 OCCCNC1CCCOC1 2230a_100000719290_100000230001 [1,1,0,0,0,0|1,0,1]=4 4924 B11R1.28 OCCCNC1CCCOC1 270004a_100000182051_100000753404 [1,1,0,0,0,0|1,0,1]=4 4925 B11R1.28 OCCCNC1CCCOC1 34a_100000719290_100000230001 [1,1,0,0,0,0|1,0,1]=4 4926 B11R1.28 OCCCNC1CCCSC1 270004a_100000182051_100000057913 [1,1,0,0,0,0|1,0,1]=4 4927 B11R1.28 OCCCNC1CCNCC1 270004a_100000182051_100015192401 [1,1,0,0,0,0|1,0,1]=4 4928 B11R1.28 OCCCNC1CCOCC1 2230a_100000741149_100000230001 [1,1,0,0,0,0|1,0,1]=4 4929 B11R1.28 OCCCNC1CCOCC1 270004a_100000182051_100011217826 [1,1,0,0,0,0|1,0,1]=4 4930 B11R1.28 OCCCNC1CCOCC1 34a_100000741149_100000230001 [1,1,0,0,0,0|1,0,1]=4 4931 B11R1.28 OCCCNC1CCSCC1 2230a_100000748639_100000230001 [1,1,0,0,0,0|1,0,1]=4 4932 B11R1.28 OCCCNC1CCSCC1 270004a_100000182051_100000203788 [1,1,0,0,0,0|1,0,1]=4 4933 B11R1.28 OCCCNC1CCSCC1 34a_100000748639_100000230001 [1,1,0,0,0,0|1,0,1]=4 4934 B11R1.28 OCCCOC1CCCCC1 34a_100000210231_100000230001 [1,1,0,0,0,0|0,0,1]=3 4935 B11R1.28 OCCCOC1CCCCC1 7a_100000210231_100011215043 [1,1,0,0,0,0|0,0,1]=3 4936 B11R1.28 OCCCOC1CCCCO1 34a_100000033831_100000230001 [1,1,0,0,0,0|1,0,1]=4 4937 B11R1.28 OCCCOC1CCCOC1 34a_100000754041_100000230001 [1,1,0,0,0,0|1,0,1]=4 4938 B11R1.28 OCCCOC1CCCSC1 7a_100015962668_100011215043 [1,1,0,0,0,0|1,0,1]=4 4939 B11R1.28 OCCCOC1CCOCC1 34a_100000744328_100000230001 [1,1,0,0,0,0|1,0,1]=4 4940 B11R1.28 OCCCOC1CCSCC1 34a_100000731022_100000230001 [1,1,0,0,0,0|1,0,1]=4 4941 B11R1.28 OCCCOC1CCSCC1 7a_100000731022_100011215043 [1,1,0,0,0,0|1,0,1]=4 4942 B11R1.28 OCCCSC1CCCCC1 62a_100000210327_100011215043 [1,1,0,0,0,0|0,0,1]=3 4943 B11R1.28 OCCCSC1CCCCC1 62a_100011215043_100000210327 [1,1,0,0,0,0|0,0,1]=3 4944 B11R1.28 OCCCSC1CCCOC1 62a_100011215043_100000693364 [1,1,0,0,0,0|1,0,1]=4 4945 B11R1.28 OCCCSC1CCOCC1 62a_100011215043_100011324220 [1,1,0,0,0,0|1,0,1]=4 4946 B11R1.28 OCCCSC1CCSCC1 62a_100011215043_100000069128 [1,1,0,0,0,0|1,0,1]=4 4947 B11R1.28 OCCNCC1CCCCC1 2230a_100000210473_100000211926 [1,1,0,0,0,0|0,0,1]=3 4948 B11R1.28 OCCNCC1CCCCC1 2230a_100016997473_100000211423 [1,1,0,0,0,0|0,0,1]=3 4949 B11R1.28 OCCNCC1CCCCC1 269862a_100000210304_100000211278 [1,1,0,0,0,0|0,0,1]=3 4950 B11R1.28 OCCNCC1CCCCC1 34a_100000210473_100000211926 [1,1,0,0,0,0|0,0,1]=3 4951 B11R1.28 OCCNCC1CCCCC1 34a_100016990907_100000211423 [1,1,0,0,0,0|0,0,1]=3 4952 B11R1.28 OCCNCC1CCCCO1 2230a_100000174945_100000211926 [1,1,0,0,0,0|1,0,1]=4 4953 B11R1.28 OCCNCC1CCCCO1 2230a_100016997473_100000211543 [1,1,0,0,0,0|1,0,1]=4 4954 B11R1.28 OCCNCC1CCCCO1 34a_100000174945_100000211926 [1,1,0,0,0,0|1,0,1]=4 4955 B11R1.28 OCCNCC1CCCCO1 34a_100016990907_100000211543 [1,1,0,0,0,0|1,0,1]=4 4956 B11R1.28 OCCNCC1CCCOC1 2230a_100000720124_100000211926 [1,1,0,0,0,0|1,0,1]=4 4957 B11R1.28 OCCNCC1CCCOC1 2230a_100016997473_100000741521 [1,1,0,0,0,0|1,0,1]=4 4958 B11R1.28 OCCNCC1CCCOC1 34a_100000720124_100000211926 [1,1,0,0,0,0|1,0,1]=4 4959 B11R1.28 OCCNCC1CCCOC1 34a_100016990907_100000741521 [1,1,0,0,0,0|1,0,1]=4 4960 B11R1.28 OCCNCC1CCOCC1 2230a_100000746373_100000211926 [1,1,0,0,0,0|1,0,1]=4 4961 B11R1.28 OCCNCC1CCOCC1 2230a_100016997473_100000754603 [1,1,0,0,0,0|1,0,1]=4 4962 B11R1.28 OCCNCC1CCOCC1 269862a_100000210304_100000749017 [1,1,0,0,0,0|1,0,1]=4 4963 B11R1.28 OCCNCC1CCOCC1 34a_100000746373_100000211926 [1,1,0,0,0,0|1,0,1]=4 4964 B11R1.28 OCCNCC1CCOCC1 34a_100016990907_100000754603 [1,1,0,0,0,0|1,0,1]=4 4965 B11R1.28 OCCNCC1CCSCC1 2230a_100015188806_100000211926 [1,1,0,0,0,0|1,0,1]=4 4966 B11R1.28 OCCNCC1CCSCC1 269862a_100000210304_100000067145 [1,1,0,0,0,0|1,0,1]=4 4967 B11R1.28 OCCNCC1CCSCC1 270004a_100000210304_100000067145 [1,1,0,0,0,0|1,0,1]=4 4968 B11R1.28 OCCNCC1CCSCC1 34a_100015188806_100000211926 [1,1,0,0,0,0|1,0,1]=4 4969 B11R1.28 OCCOCC1CCCCC1 34a_100000212181_100000211926 [1,1,0,0,0,0|0,0,1]=3 4970 B11R1.28 OCCOCC1CCCCC1 7a_100000212181_100000211926 [1,1,0,0,0,0|0,0,1]=3 4971 B11R1.28 OCCOCC1CCCCN1 34a_100000210821_100000211926 [1,1,0,0,0,0|1,0,1]=4 4972 B11R1.28 OCCOCC1CCCCO1 34a_100000211370_100000211926 [1,1,0,0,0,0|1,0,1]=4 4973 B11R1.28 OCCOCC1CCCCO1 7a_100000211370_100000211926 [1,1,0,0,0,0|1,0,1]=4 4974 B11R1.28 OCCOCC1CCCNC1 34a_100000211344_100000211926 [1,1,0,0,0,0|1,0,1]=4 4975 B11R1.28 OCCOCC1CCCOC1 34a_100000741520_100000211926 [1,1,0,0,0,0|1,0,1]=4 4976 B11R1.28 OCCOCC1CCNCC1 34a_100000738675_100000211926 [1,1,0,0,0,0|1,0,1]=4 4977 B11R1.28 OCCOCC1CCOCC1 34a_100000749013_100000211926 [1,1,0,0,0,0|1,0,1]=4 4978 B11R1.28 OCCOCC1CCSCC1 34a_100000070558_100000211926 [1,1,0,0,0,0|1,0,1]=4 4979 B11R1.28 OCCOCC1CCSCC1 7a_100000070558_100000211926 [1,1,0,0,0,0|1,0,1]=4 4980 B11R1.28 OCCSCC1CCCCC1 62a_100000211423_100000211926 [1,1,0,0,0,0|0,0,1]=3 4981 B11R1.28 OCCSCC1CCCCC1 62a_100000211926_100000211423 [1,1,0,0,0,0|0,0,1]=3 4982 B11R1.28 OCCSCC1CCCCO1 62a_100000211543_100000211926 [1,1,0,0,0,0|1,0,1]=4 4983 B11R1.28 OCCSCC1CCCCO1 62a_100000211926_100000211543 [1,1,0,0,0,0|1,0,1]=4 4984 B11R1.28 OCCSCC1CCCOC1 62a_100000211926_100000741521 [1,1,0,0,0,0|1,0,1]=4 4985 B11R1.28 OCCSCC1CCCOC1 62a_100000741521_100000211926 [1,1,0,0,0,0|1,0,1]=4 4986 B11R1.28 OCCSCC1CCOCC1 62a_100000211926_100000749018 [1,1,0,0,0,0|1,0,1]=4 4987 B11R1.28 OCCSCC1CCOCC1 62a_100000754603_100000211926 [1,1,0,0,0,0|1,0,1]=4 4988 B11R1.28 [13CH3]NCCCC1CCCCC1 2230a_100011211642_200025704644 [1,1,0,0,0,0|1,0,1]=4 4989 B11R1.28 [13CH3]NCCCC1CCCCC1 34a_100011211642_200025704644 [1,1,0,0,0,0|1,0,1]=4 4990 B11R1.28 [13CH3]NCCOC1CCCCC1 34a_100015206981_200025704644 [1,1,0,0,0,0|2,0,0]=4 4991 B11R1.28 [13CH3]OCCCC1CCCCC1 34a_100000198086_200025704644 [1,1,0,0,0,0|0,0,1]=3 4992 B11R1.28 [13CH3]OCCCC1CCCCC1 7a_100000198086_200025704644 [1,1,0,0,0,0|0,0,1]=3 4993 B11R1.28 [13CH3]OCCCC1CCCCN1 34a_100011934581_200025704644 [1,1,0,0,0,0|1,0,1]=4 4994 B11R1.28 [13CH3]OCCCC1CCCNC1 34a_100150707839_200025704644 [1,1,0,0,0,0|1,0,1]=4 4995 B11R1.28 [13CH3]OCCCC1CCNCC1 34a_100016988962_200025704644 [1,1,0,0,0,0|1,0,1]=4 4996 B11R1.28 [13CH3]OCCCN1CCCCC1 34a_100000212458_200025704644 [1,1,0,0,0,0|1,0,1]=4 4997 B11R1.28 [13CH3]OCCNC1CCCCC1 34a_100000200466_200025704644 [1,1,0,0,0,0|1,0,1]=4 4998 B11R1.28 [13CH3]OCCOC1CCCCC1 34a_100011249652_200025704644 [1,1,0,0,0,0|1,0,1]=4 4999 B11R1.28 [13CH3]OCCOC1CCCCC1 7a_100011249652_200025704644 [1,1,0,0,0,0|1,0,1]=4 5000 B11R1.28 [13CH3]SCCCC1CCCCC1 62a_100011713725_200025704644 [1,1,0,0,0,0|0,1,1]=4 5001 B11R1.28 [13CH3]SCCCC1CCCCC1 62a_200025704644_100011713725 [1,1,0,0,0,0|0,1,1]=4 5002 B11R1.28 [13CH3]SCCOC1CCCCC1 62a_100011211530_200025704644 [1,1,0,0,0,0|2,0,0]=4 5003 B11R1.28 [13CH3]SCCOC1CCCCC1 62a_200025704644_100011211530 [1,1,0,0,0,0|2,0,0]=4 5004 B11R1.40 C=CC(=O)CC1CCCCC1 1458a_100000185746_100000211423 [1,1,0,0,0,0|1,0,1]=4 5005 B11R1.40 C=CC(C)OC1CCCCC1 34a_100000695699_100000210327 [1,1,0,0,0,0|2,0,0]=4 5006 B11R1.40 C=CC(C)SC1CCCCC1 62a_100011215867_100000210327 [1,1,0,0,0,0|2,0,0]=4 5007 B11R1.40 CC(CO)NC1CCCCC1 2230a_100000182618_100012180447 [1,1,0,0,0,0|1,0,1]=4 5008 B11R1.40 CC(CO)NC1CCCCC1 34a_100000182618_100012180447 [1,1,0,0,0,0|1,0,1]=4 5009 B11R1.40 CC(CO)OC1CCCCC1 34a_100000210231_100012180447 [1,1,0,0,0,0|1,0,1]=4 5010 B11R1.40 CC(CO)OC1CCCCC1 7a_100000210231_100012180447 [1,1,0,0,0,0|1,0,1]=4 5011 B11R1.40 CC(CO)SC1CCCCC1 62a_100012180447_100000210327 [1,1,0,0,0,0|1,0,1]=4 5012 B11R1.40 CNC(C)CC1CCCCC1 270004a_106832991635_100011215996 [1,1,0,0,0,0|2,0,0]=4 5013 B11R1.40 C[C@H](CO)NC1CCCCC1 270004a_100000737577_100000210434 [1,1,0,0,0,0|1,0,1]=4 5014 B11R1.40 C[C@H](CO)SC1CCCCC1 62a_100000210327_100016084084 [1,1,0,0,0,0|1,0,1]=4 5015 B11R1.40 C[C@H](CO)SC1CCCCC1 62a_100016084084_100000210327 [1,1,0,0,0,0|1,0,1]=4 5016 B11R1.40 O=C(CO)CC1CCCCC1 1458a_100000210174_100000211423 [1,1,0,0,0,0|0,0,2]=4 5017 B11R1.900 C=CCNC1(CCCCC1)C 2230a_100000741114_100000210623 [1,1,0,0,0,0|2,0,0]=4 5018 B11R1.900 C=CCNC1(CCCCC1)C 34a_100000741114_100015514636 [1,1,0,0,0,0|2,0,0]=4 5019 B11R1.900 C=CCOC1(CCCCC1)C 34a_100011215885_100015514636 [1,1,0,0,0,0|2,0,0]=4 5020 B11R1.900 C=CCOC1(CCCCC1)C 7a_100011215885_100015514636 [1,1,0,0,0,0|2,0,0]=4 5021 B11R1.900 CC1(CCCCC1)NCC=O 2230a_100000741114_200015260668 [1,1,0,0,0,0|1,0,0]=3 5022 B11R1.900 CC1(CCCCC1)NCC=O 34a_100000741114_200009817547 [1,1,0,0,0,0|1,0,0]=3 5023 B11R1.900 CC1(CCCCC1)NCCO 2230a_100000741114_100000211926 [1,1,0,0,0,0|1,0,1]=4 5024 B11R1.900 CC1(CCCCC1)NCCO 34a_100000741114_100000211926 [1,1,0,0,0,0|1,0,1]=4 5025 B11R1.900 CC1(CCCCC1)OCC=O 34a_100011215885_200009817547 [1,1,0,0,0,0|1,0,0]=3 5026 B11R1.900 CC1(CCCCC1)OCC=O 7a_100011215885_200015260668 [1,1,0,0,0,0|1,0,0]=3 5027 B11R1.900 CC1(CCCCC1)OCCO 34a_100011215885_100000211926 [1,1,0,0,0,0|1,0,1]=4 5028 B11R1.900 CC1(CCCCC1)OCCO 7a_100011215885_100000211926 [1,1,0,0,0,0|1,0,1]=4 5029 B11R1.900 CC1(CCOCC1)NCC=O 2230a_100000692449_200015260668 [1,1,0,0,0,0|2,0,0]=4 5030 B11R1.900 CC1(CCOCC1)NCC=O 34a_100000692449_200009817547 [1,1,0,0,0,0|2,0,0]=4 5031 B11R1.900 CC1(CCOCC1)OCC=O 34a_100011827762_200009817547 [1,1,0,0,0,0|2,0,0]=4 5032 B11R1.900 CC1(CCOCC1)OCC=O 7a_100011827762_200015260668 [1,1,0,0,0,0|2,0,0]=4 5033 B11R1.900 CC1(CCSCC1)OCC=O 34a_200011004327_200009817547 [1,1,0,0,0,0|2,0,0]=4 5034 B11R1.900 CC1(CCSCC1)OCC=O 7a_200011004327_200015260668 [1,1,0,0,0,0|2,0,0]=4 5035 B11R1.900 CNCCC1(CCCCC1)O 2230a_100102740465_200000210301 [1,1,0,0,0,0|2,0,0]=4 5036 B11R1.900 CNCCC1(CCCCC1)O 34a_100102740465_200000210301 [1,1,0,0,0,0|2,0,0]=4 5037 B11R1.900 [13CH3]NCCC1(CCCCC1)O 2230a_100102740465_200025704644 [1,1,0,0,0,0|2,0,0]=4 5038 B11R1.900 [13CH3]NCCC1(CCCCC1)O 34a_100102740465_200025704644 [1,1,0,0,0,0|2,0,0]=4 5039 B11R1.20 CC(=O)CC1CCC(CC1)C 1458a_100011215564_200000210301 [0,1,0,0,1,0|1,0,0]=3 5040 B11R1.20 CC(=O)CC1CCC(CC1)O 1458a_100012184027_200000210301 [0,1,0,0,1,0|1,0,0]=3 5041 B11R1.20 CC(=O)CC1CCN(CC1)C 1458a_100000700355_200000210301 [0,1,0,0,1,0|2,0,0]=4 5042 B11R1.20 CC(=O)CN1CCC(CC1)C 1458a_100000238061_200000210301 [0,1,0,0,1,0|2,0,0]=4 5043 B11R1.20 CC(=O)N[C@H]1CC[C@@H](CC1)C 1626a_100020625639_100015343762 [0,1,0,0,1,0|2,0,0]=4 5044 B11R1.20 CC(=O)N[C@H]1CC[C@@H](CC1)C 240690a_100020625639_100015343762 [0,1,0,0,1,0|2,0,0]=4 5045 B11R1.20 CC(=O)N[C@H]1CC[C@@H](CC1)C 527a_100020625639_100103153847 [0,1,0,0,1,0|2,0,0]=4 5046 B11R1.20 CC(=O)N[C@H]1CC[C@H](CC1)O 1626a_100020628982_100015343762 [0,1,0,0,1,0|2,0,0]=4 5047 B11R1.20 CC(=O)N[C@H]1CC[C@H](CC1)O 240690a_100020628982_100015343762 [0,1,0,0,1,0|2,0,0]=4 5048 B11R1.20 CC1CCC(CC1)CC(=O)[13CH3] 1458a_100011215564_200025704644 [0,1,0,0,1,0|1,0,0]=3 5049 B11R1.20 CC1CCN(CC1)CC(=O)N 2230a_100000188429_100000747473 [0,1,0,0,1,0|2,0,0]=4 5050 B11R1.20 CC1CCN(CC1)CC(=O)N 269982a_100000188429_100000187820 [0,1,0,0,1,0|2,0,0]=4 5051 B11R1.20 CC1CCN(CC1)CC(=O)N 34a_100000188429_100000187820 [0,1,0,0,1,0|2,0,0]=4 5052 B11R1.20 CC1CCN(CC1)CC(=O)[13CH3] 1458a_100000238061_200025704644 [0,1,0,0,1,0|2,0,0]=4 5053 B11R1.20 CC1CCN(CC1)CC(=O)[O-] 269982a_100000188429_100020667443 [0,1,0,0,1,0|1,0,1]=4 5054 B11R1.20 CC1CCN(CC1)CC(=O)[O-] 34a_100000188429_100020667443 [0,1,0,0,1,0|1,0,1]=4 5055 B11R1.20 CN1CCC(CC1)CC(=O)N 2230a_100011221598_200000210301 [0,1,0,0,1,0|2,0,0]=4 5056 B11R1.20 CN1CCC(CC1)CC(=O)N 34a_100011221598_200000210301 [0,1,0,0,1,0|2,0,0]=4 5057 B11R1.20 CN1CCC(CC1)CC(=O)[13CH3] 1458a_100000700355_200025704644 [0,1,0,0,1,0|2,0,0]=4 5058 B11R1.20 NC(=O)CN1CCC(CC1)F 2230a_100015193889_100000747473 [0,1,0,0,1,0|2,0,0]=4 5059 B11R1.20 NC(=O)CN1CCC(CC1)F 269982a_100015193889_100000187820 [0,1,0,0,1,0|2,0,0]=4 5060 B11R1.20 NC(=O)CN1CCC(CC1)F 34a_100015193889_100000187820 [0,1,0,0,1,0|2,0,0]=4 5061 B11R1.20 NC(=O)CN1CCC(CC1)O 2230a_100025773856_100000747473 [0,1,0,0,1,0|2,0,0]=4 5062 B11R1.20 NC(=O)CN1CCC(CC1)O 269982a_100025773856_100000187820 [0,1,0,0,1,0|2,0,0]=4 5063 B11R1.20 O=C([O-])CN1CCC(CC1)F 269982a_100015193889_100020667443 [0,1,0,0,1,0|1,0,1]=4 5064 B11R1.20 O=C([O-])CN1CCC(CC1)F 34a_100015193889_100020667443 [0,1,0,0,1,0|1,0,1]=4 5065 B11R1.20 O=C([O-])CN1CCC(CC1)O 269982a_100025773856_100020667443 [0,1,0,0,1,0|1,0,1]=4 5066 B11R1.20 [13CH3]C(=O)CC1CCC(CC1)O 1458a_100012184027_200025704644 [0,1,0,0,1,0|1,0,0]=3 5067 B11R1.20 [13CH3]N1CCC(CC1)CC(=O)N 2230a_100011221598_200025704644 [0,1,0,0,1,0|2,0,0]=4 5068 B11R1.20 [13CH3]N1CCC(CC1)CC(=O)N 34a_100011221598_200025704644 [0,1,0,0,1,0|2,0,0]=4 5069 B11R1.36 CC(=O)C(C)C1CCCCC1 1458a_100011435303_200000210301 [0,1,0,0,1,0|1,0,0]=3 5070 B11R1.36 CC(=O)C(O)C1CCCCC1 1458a_100000242593_200000210301 [0,1,0,0,1,0|1,0,0]=3 5071 B11R1.36 CC(=O)N(C)C1CCCCC1 11a_100000207522_100015343762 [0,1,0,0,1,0|2,0,0]=4 5072 B11R1.36 CC(=O)N(C)C1CCCCC1 1626a_100000207522_100015343762 [0,1,0,0,1,0|2,0,0]=4 5073 B11R1.36 CC(=O)N(C)C1CCCCC1 240690a_100000207522_100015343762 [0,1,0,0,1,0|2,0,0]=4 5074 B11R1.36 CC(=O)N(C)C1CCCCC1 527a_100000207522_100103153847 [0,1,0,0,1,0|2,0,0]=4 5075 B11R1.36 CC(C(=O)[13CH3])C1CCCCC1 1458a_100011435303_200025704644 [0,1,0,0,1,0|1,0,0]=3 5076 B11R1.36 [13CH3]C(=O)C(O)C1CCCCC1 1458a_100000242593_200025704644 [0,1,0,0,1,0|1,0,0]=3 5077 B11R1.86 CC(=O)CC1CCCCN1C 1458a_100000070787_100015185383 [0,1,0,0,1,0|2,0,0]=4 5078 B11R1.86 CC(=O)NC1CCCCC1C 11a_100000211402_100015343762 [0,1,0,0,1,0|2,0,0]=4 5079 B11R1.86 CC(=O)NC1CCCCC1C 1626a_100000211402_100015343762 [0,1,0,0,1,0|2,0,0]=4 5080 B11R1.86 CC(=O)NC1CCCCC1C 240690a_100000211402_100015343762 [0,1,0,0,1,0|2,0,0]=4 5081 B11R1.86 CC(=O)NC1CCCCC1C 527a_100000211402_100103153847 [0,1,0,0,1,0|2,0,0]=4 5082 B11R1.86 CC(=O)N[C@@H]1CCCC[C@@H]1O 240690a_100015191688_100015343762 [0,1,0,0,1,0|2,0,0]=4 5083 B11R1.86 CC(=O)N[C@@H]1CCCC[C@@H]1O 527a_100015191688_100103153847 [0,1,0,0,1,0|2,0,0]=4 5084 B11R1.86 CC(=O)N[C@@H]1CCCC[C@H]1F 11a_100015195156_100015343762 [0,1,0,0,1,0|2,0,0]=4 5085 B11R1.86 CC(=O)N[C@@H]1CCCC[C@H]1F 1626a_100015195156_100015343762 [0,1,0,0,1,0|2,0,0]=4 5086 B11R1.86 CC(=O)N[C@@H]1CCCC[C@H]1F 240690a_100015195156_100015343762 [0,1,0,0,1,0|2,0,0]=4 5087 B11R1.86 CC(=O)N[C@@H]1CCCC[C@H]1F 527a_100015195156_100103153847 [0,1,0,0,1,0|2,0,0]=4 5088 B11R1.86 CC1CCCCN1CC(=O)N 2230a_100000211376_100000747473 [0,1,0,0,1,0|2,0,0]=4 5089 B11R1.86 CC1CCCCN1CC(=O)N 269982a_100000211376_100000187820 [0,1,0,0,1,0|2,0,0]=4 5090 B11R1.86 CC1CCCCN1CC(=O)N 34a_100000211376_100000187820 [0,1,0,0,1,0|2,0,0]=4 5091 B11R1.86 CC1CCCCN1CC(=O)[O-] 269982a_100000211376_100020667443 [0,1,0,0,1,0|1,0,1]=4 5092 B11R1.86 CC1CCCCN1CC(=O)[O-] 34a_100000211376_100020667443 [0,1,0,0,1,0|1,0,1]=4 5093 B11R1.86 CN1CCCCC1CC(=O)N 2230a_100015184752_200000210301 [0,1,0,0,1,0|2,0,0]=4 5094 B11R1.86 CN1CCCCC1CC(=O)N 269982a_100015184752_200000210301 [0,1,0,0,1,0|2,0,0]=4 5095 B11R1.86 CN1CCCCC1CC(=O)N 34a_100015184752_200000210301 [0,1,0,0,1,0|2,0,0]=4 5096 B11R1.86 [13CH3]N1CCCCC1CC(=O)N 2230a_100015184752_200025704644 [0,1,0,0,1,0|2,0,0]=4 5097 B11R1.86 [13CH3]N1CCCCC1CC(=O)N 269982a_100015184752_200025704644 [0,1,0,0,1,0|2,0,0]=4 5098 B11R1.86 [13CH3]N1CCCCC1CC(=O)N 34a_100015184752_200025704644 [0,1,0,0,1,0|2,0,0]=4 5099 B11R1.157 CC(=O)CC1CCCC(C1)C 1458a_100000748788_200000210301 [0,1,0,0,1,0|1,0,0]=3 5100 B11R1.157 CC(=O)CC1CCCN(C1)C 1458a_100000070787_100015183302 [0,1,0,0,1,0|2,0,0]=4 5101 B11R1.157 CC(=O)NC1CCCC(C1)C 11a_100011194320_100015343762 [0,1,0,0,1,0|2,0,0]=4 5102 B11R1.157 CC(=O)NC1CCCC(C1)C 1626a_100011194320_100015343762 [0,1,0,0,1,0|2,0,0]=4 5103 B11R1.157 CC(=O)NC1CCCC(C1)C 240690a_100011194320_100015343762 [0,1,0,0,1,0|2,0,0]=4 5104 B11R1.157 CC(=O)NC1CCCC(C1)C 527a_100011194320_100103153847 [0,1,0,0,1,0|2,0,0]=4 5105 B11R1.157 CC(=O)NC1CCCC(C1)O 1626a_100015190357_100015343762 [0,1,0,0,1,0|2,0,0]=4 5106 B11R1.157 CC(=O)NC1CCCC(C1)O 240690a_100015190357_100015343762 [0,1,0,0,1,0|2,0,0]=4 5107 B11R1.157 CC1CCCC(C1)CC(=O)[13CH3] 1458a_100000748788_200025704644 [0,1,0,0,1,0|1,0,0]=3 5108 B11R1.157 CN1CCCC(C1)CC(=O)O 269956a_100015207179_200000210301 [0,1,0,0,1,0|1,0,0]=3 5109 B11R1.157 CN1CCOC(C1)CC(=O)O 269956a_100015183369_200000210301 [0,1,0,0,1,0|2,0,0]=4 5110 B11R1.157 C[C@H]1CCCN(C1)CC(=O)N 2230a_100000717927_100000747473 [0,1,0,0,1,0|2,0,0]=4 5111 B11R1.157 C[C@H]1CCCN(C1)CC(=O)N 269982a_100000717927_100000187820 [0,1,0,0,1,0|2,0,0]=4 5112 B11R1.157 C[C@H]1CCCN(C1)CC(=O)N 34a_100000717927_100000187820 [0,1,0,0,1,0|2,0,0]=4 5113 B11R1.157 C[C@H]1CCCN(C1)CC(=O)[O-] 269982a_100000717927_100020667443 [0,1,0,0,1,0|1,0,1]=4 5114 B11R1.157 C[C@H]1CCCN(C1)CC(=O)[O-] 34a_100000717927_100020667443 [0,1,0,0,1,0|1,0,1]=4 5115 B11R1.157 NC(=O)CN1CCCC(C1)F 2230a_100000697950_100000747473 [0,1,0,0,1,0|2,0,0]=4 5116 B11R1.157 NC(=O)CN1CCCC(C1)F 269982a_100000697950_100000187820 [0,1,0,0,1,0|2,0,0]=4 5117 B11R1.157 NC(=O)CN1CCCC(C1)F 34a_100000697950_100000187820 [0,1,0,0,1,0|2,0,0]=4 5118 B11R1.157 NC(=O)CN1CCCC(C1)O 2230a_100000211013_100000747473 [0,1,0,0,1,0|2,0,0]=4 5119 B11R1.157 NC(=O)CN1CCCC(C1)O 269982a_100000211013_100000187820 [0,1,0,0,1,0|2,0,0]=4 5120 B11R1.157 O=C([O-])CN1CCCC(C1)F 269982a_100000697950_100020667443 [0,1,0,0,1,0|1,0,1]=4 5121 B11R1.157 O=C([O-])CN1CCCC(C1)F 34a_100000697950_100020667443 [0,1,0,0,1,0|1,0,1]=4 5122 B11R1.157 O=C([O-])CN1CCCC(C1)O 269982a_100000211013_100020667443 [0,1,0,0,1,0|1,0,1]=4 5123 B11R1.157 [13CH3]N1CCCC(C1)CC(=O)O 269956a_100015207179_200025704644 [0,1,0,0,1,0|1,0,0]=3 5124 B11R1.157 [13CH3]N1CCOC(C1)CC(=O)O 269956a_100015183369_200025704644 [0,1,0,0,1,0|2,0,0]=4 5125 B11R1.928 CC(=O)CC1(CCCCC1)O 1458a_100000755886_200000210301 [0,1,0,0,1,0|1,0,0]=3 5126 B11R1.928 CC(=O)NC1(CCCCC1)C 11a_100000741114_100015343762 [0,1,0,0,1,0|2,0,0]=4 5127 B11R1.928 CC(=O)NC1(CCCCC1)C 1626a_100000741114_100015343762 [0,1,0,0,1,0|2,0,0]=4 5128 B11R1.928 CC(=O)NC1(CCCCC1)C 240690a_100000741114_100015343762 [0,1,0,0,1,0|2,0,0]=4 5129 B11R1.928 CC(=O)NC1(CCCCC1)C 527a_100000741114_100103153847 [0,1,0,0,1,0|2,0,0]=4 5130 B11R1.928 [13CH3]C(=O)CC1(CCCCC1)O 1458a_100000755886_200025704644 [0,1,0,0,1,0|1,0,0]=3 5131 B11R1.25 C#CC(=O)CCC1CCCC1 1458a_100000211873_100000760354 [0,1,0,0,1,0|1,0,0]=3 5132 B11R1.25 C#CC(=O)CCN1CCCC1 1458a_100000211873_100000004467 [0,1,0,0,1,0|2,0,0]=4 5133 B11R1.25 C=CC(=O)CCC1CCCC1 1458a_100000185746_100000760354 [0,1,0,0,1,0|1,0,0]=3 5134 B11R1.25 C=CC(=O)CCN1CCCC1 1458a_100000185746_100000004467 [0,1,0,0,1,0|2,0,0]=4 5135 B11R1.25 C=CC(=O)NCC1CCCC1 1626a_100000737975_100000185746 [0,1,0,0,1,0|2,0,0]=4 5136 B11R1.25 C=CC(=O)NCC1CCCC1 240690a_100000737975_200121576911 [0,1,0,0,1,0|2,0,0]=4 5137 B11R1.25 CCC(=O)CCC1CCCC1 1458a_100000210414_100000760354 [0,1,0,0,1,0|1,0,0]=3 5138 B11R1.25 CCC(=O)CCC1CCCC1 1458a_100000211120_100000210202 [0,1,0,0,1,0|1,0,0]=3 5139 B11R1.25 CCC(=O)CCC1CCCO1 1458a_100011247709_100000210202 [0,1,0,0,1,0|2,0,0]=4 5140 B11R1.25 CCC(=O)CCN1CCCC1 1458a_100000210414_100000004467 [0,1,0,0,1,0|2,0,0]=4 5141 B11R1.25 CCC(=O)CCN1CCCC1 1458a_100000738983_100000210202 [0,1,0,0,1,0|2,0,0]=4 5142 B11R1.25 CCC(=O)COC1CCCC1 1458a_100000741352_100000210202 [0,1,0,0,1,0|2,0,0]=4 5143 B11R1.25 CCC(=O)COC1CCCC1 34a_100000725409_100000179811 [0,1,0,0,1,0|2,0,0]=4 5144 B11R1.25 CCC(=O)COC1CCCC1 7a_100000210269_100000747405 [0,1,0,0,1,0|2,0,0]=4 5145 B11R1.25 CCC(=O)CSC1CCCC1 62a_100000747405_100000179811 [0,1,0,0,1,0|2,0,0]=4 5146 B11R1.25 CCC(=O)CSC1CCCC1 62a_100011217020_100000747405 [0,1,0,0,1,0|2,0,0]=4 5147 B11R1.25 CCC(=O)NCC1CCCC1 11a_100000737975_100000210414 [0,1,0,0,1,0|2,0,0]=4 5148 B11R1.25 CCC(=O)NCC1CCCC1 1626a_100000737975_100000210414 [0,1,0,0,1,0|2,0,0]=4 5149 B11R1.25 CCC(=O)NCC1CCCC1 240690a_100000737975_100000210414 [0,1,0,0,1,0|2,0,0]=4 5150 B11R1.25 CCC(=O)NCC1CCCC1 527a_100000737975_100000210414 [0,1,0,0,1,0|2,0,0]=4 5151 B11R1.25 CNC(=O)CCC1CCCC1 11a_106832991635_100000211120 [0,1,0,0,1,0|1,0,0]=3 5152 B11R1.25 CNC(=O)CCC1CCCC1 1626a_100102657272_100000211120 [0,1,0,0,1,0|1,0,0]=3 5153 B11R1.25 CNC(=O)CCC1CCCC1 240690a_100102657272_100000211120 [0,1,0,0,1,0|1,0,0]=3 5154 B11R1.25 CNC(=O)CCC1CCCC1 527a_100102657272_100000211120 [0,1,0,0,1,0|1,0,0]=3 5155 B11R1.25 CNC(=O)CCC1CCCO1 11a_106832991635_100011247709 [0,1,0,0,1,0|2,0,0]=4 5156 B11R1.25 CNC(=O)CCC1CCCO1 1626a_100102657272_100011247709 [0,1,0,0,1,0|2,0,0]=4 5157 B11R1.25 CNC(=O)CCC1CCCO1 240690a_100102657272_100011247709 [0,1,0,0,1,0|2,0,0]=4 5158 B11R1.25 CNC(=O)CCC1CCCO1 527a_100102657272_100011247709 [0,1,0,0,1,0|2,0,0]=4 5159 B11R1.25 CNC(=O)CCN1CCCC1 2230a_100000188435_100000737683 [0,1,0,0,1,0|2,0,0]=4 5160 B11R1.25 CNC(=O)CCN1CCCC1 240690a_100102657272_100000738983 [0,1,0,0,1,0|2,0,0]=4 5161 B11R1.25 CNC(=O)CCN1CCCC1 269982a_100000188435_100000737683 [0,1,0,0,1,0|2,0,0]=4 5162 B11R1.25 CNC(=O)CNC1CCCC1 2230a_100000211070_100000183359 [0,1,0,0,1,0|2,0,0]=4 5163 B11R1.25 CNC(=O)CNC1CCCC1 2230a_100000693194_100000179811 [0,1,0,0,1,0|2,0,0]=4 5164 B11R1.25 CNC(=O)CNC1CCCC1 270004a_100000693194_100000210133 [0,1,0,0,1,0|2,0,0]=4 5165 B11R1.25 CNC(=O)CNC1CCCC1 34a_100000211070_100000183359 [0,1,0,0,1,0|2,0,0]=4 5166 B11R1.25 CNC(=O)COC1CCCC1 11a_106832991635_100000741352 [0,1,0,0,1,0|2,0,0]=4 5167 B11R1.25 CNC(=O)COC1CCCC1 1626a_100102657272_100000741352 [0,1,0,0,1,0|2,0,0]=4 5168 B11R1.25 CNC(=O)COC1CCCC1 240690a_100102657272_100000741352 [0,1,0,0,1,0|2,0,0]=4 5169 B11R1.25 CNC(=O)COC1CCCC1 34a_100000210269_100000183359 [0,1,0,0,1,0|2,0,0]=4 5170 B11R1.25 CNC(=O)COC1CCCC1 34a_100000750040_100000179811 [0,1,0,0,1,0|2,0,0]=4 5171 B11R1.25 CNC(=O)COC1CCCC1 527a_100102657272_100000741352 [0,1,0,0,1,0|2,0,0]=4 5172 B11R1.25 CNC(=O)COC1CCCC1 7a_100000210269_100000183359 [0,1,0,0,1,0|2,0,0]=4 5173 B11R1.25 CNC(=O)CSC1CCCC1 62a_100000183359_100000179811 [0,1,0,0,1,0|2,0,0]=4 5174 B11R1.25 CNC(=O)CSC1CCCC1 62a_100011217020_100000183359 [0,1,0,0,1,0|2,0,0]=4 5175 B11R1.25 CNC(=O)NCC1CCCC1 2708a_100000737975_106832991635 [0,1,0,0,1,0|2,0,0]=4 5176 B11R1.25 CNC(=O)NCC1CCCC1 2708a_100102657272_100000737975 [0,1,0,0,1,0|2,0,0]=4 5177 B11R1.25 CNC(=O)NCC1CCCC1 273464a_100000737975_100102657272 [0,1,0,0,1,0|2,0,0]=4 5178 B11R1.25 CNC(=O)NCC1CCCC1 273464a_100102657272_100000737975 [0,1,0,0,1,0|2,0,0]=4 5179 B11R1.25 CNC(=O)NCC1CCCC1 512a_100000737975_100102657272 [0,1,0,0,1,0|2,0,0]=4 5180 B11R1.25 CNC(=O)NCC1CCCC1 512a_106832991638_100000737975 [0,1,0,0,1,0|2,0,0]=4 5181 B11R1.25 COC(=O)CCN1CCCC1 2230a_100000188435_100000204255 [0,1,0,0,1,0|1,0,0]=3 5182 B11R1.25 COC(=O)CCN1CCCC1 269982a_100000188435_100000204255 [0,1,0,0,1,0|1,0,0]=3 5183 B11R1.25 COC(=O)CCN1CCSC1 2230a_100011215254_100000204255 [0,1,0,0,1,0|2,0,0]=4 5184 B11R1.25 COC(=O)CCN1CCSC1 269982a_100011215254_100000204255 [0,1,0,0,1,0|2,0,0]=4 5185 B11R1.25 COC(=O)CNC1CCCC1 2230a_100000211070_100000747449 [0,1,0,0,1,0|1,0,0]=3 5186 B11R1.25 COC(=O)CNC1CCCC1 34a_100000211070_100000747449 [0,1,0,0,1,0|1,0,0]=3 5187 B11R1.25 COC(=O)CN[C@@H]1CCOC1 2230a_200015188469_100000747449 [0,1,0,0,1,0|2,0,0]=4 5188 B11R1.25 COC(=O)CN[C@H]1CCOC1 2230a_100015188467_100000747449 [0,1,0,0,1,0|2,0,0]=4 5189 B11R1.25 COC(=O)CN[C@H]1CCOC1 34a_100015188467_100000747449 [0,1,0,0,1,0|2,0,0]=4 5190 B11R1.25 COC(=O)COC1CCCC1 34a_100000210269_100000747449 [0,1,0,0,1,0|1,0,0]=3 5191 B11R1.25 COC(=O)COC1CCCC1 7a_100000210269_100000747449 [0,1,0,0,1,0|1,0,0]=3 5192 B11R1.25 COC(=O)COC1CCCO1 34a_100000085407_100000747449 [0,1,0,0,1,0|2,0,0]=4 5193 B11R1.25 COC(=O)COC1CCSC1 7a_100011232664_100000747449 [0,1,0,0,1,0|2,0,0]=4 5194 B11R1.25 COC(=O)CO[C@H]1CCOC1 34a_100000717292_100000747449 [0,1,0,0,1,0|2,0,0]=4 5195 B11R1.25 COC(=O)CSC1CCCC1 62a_100000747449_100000179811 [0,1,0,0,1,0|1,0,0]=3 5196 B11R1.25 COC(=O)CSC1CCCC1 62a_100011217020_100000747449 [0,1,0,0,1,0|1,0,0]=3 5197 B11R1.25 COC(=O)CSC1CCOC1 62a_100000747449_100000690089 [0,1,0,0,1,0|2,0,0]=4 5198 B11R1.25 O=C(CF)CCC1CCCC1 1458a_100000211120_100015361967 [0,1,0,0,1,0|1,0,0]=3 5199 B11R1.25 O=C(CF)CCC1CCCO1 1458a_100011247709_100015361967 [0,1,0,0,1,0|2,0,0]=4 5200 B11R1.25 O=C(CF)CCN1CCCC1 1458a_100000738983_100015361967 [0,1,0,0,1,0|2,0,0]=4 5201 B11R1.25 O=C(CF)COC1CCCC1 1458a_100000741352_100015361967 [0,1,0,0,1,0|2,0,0]=4 5202 B11R1.25 O=C(CO)CCC1CCCC1 1458a_100000210174_100000760354 [0,1,0,0,1,0|0,0,0]=2 5203 B11R1.25 O=C(CO)CCC1OCCO1 1458a_100000210174_100000740749 [0,1,0,0,1,0|2,0,0]=4 5204 B11R1.25 O=C(CO)CCN1CCCC1 1458a_100000210174_100000004467 [0,1,0,0,1,0|1,0,0]=3 5205 B11R1.25 O=C(CO)NCC1CCCC1 240690a_100000737975_100000210174 [0,1,0,0,1,0|1,0,0]=3 5206 B11R1.25 O=C(CO)NCC1CCCC1 527a_100000737975_100000210174 [0,1,0,0,1,0|1,0,0]=3 5207 B11R1.25 O=C(CO)NCC1CCOC1 240690a_100000737293_100000210174 [0,1,0,0,1,0|2,0,0]=4 5208 B11R1.25 O=C(CO)NCC1CCOC1 527a_100000737293_100000210174 [0,1,0,0,1,0|2,0,0]=4 5209 B11R1.25 O=C(CO)NC[C@@H]1CCCO1 240690a_100020590478_100000210174 [0,1,0,0,1,0|2,0,0]=4 5210 B11R1.25 O=C(CO)NC[C@@H]1CCCO1 527a_100020590478_100000210174 [0,1,0,0,1,0|2,0,0]=4 5211 B11R1.25 O=C(CO)NNC1CCCC1 22a_100000737850_100000210174 [0,1,0,0,1,0|2,0,0]=4 5212 B11R1.35 CC(=O)C(C)NC1CCCC1 2230a_100000211070_100009814033 [0,1,0,0,1,0|2,0,0]=4 5213 B11R1.35 CC(=O)C(C)OC1CCCC1 34a_100000212229_100000179811 [0,1,0,0,1,0|2,0,0]=4 5214 B11R1.35 CC(=O)C(C)OC1CCCC1 7a_100000210269_100000179758 [0,1,0,0,1,0|2,0,0]=4 5215 B11R1.35 CC(=O)C(C)SC1CCCC1 62a_100009814033_100000179811 [0,1,0,0,1,0|2,0,0]=4 5216 B11R1.35 CC(=O)C(C)SC1CCCC1 62a_100011217020_100009814033 [0,1,0,0,1,0|2,0,0]=4 5217 B11R1.35 CC(NC1CCCC1)C(=O)N 2230a_100000211070_100000702099 [0,1,0,0,1,0|2,0,0]=4 5218 B11R1.35 CC(NC1CCCC1)C(=O)N 34a_100000211070_100000702099 [0,1,0,0,1,0|2,0,0]=4 5219 B11R1.35 CC(OC1CCCC1)C(=O)N 34a_100000210269_100000702099 [0,1,0,0,1,0|2,0,0]=4 5220 B11R1.35 CC(OC1CCCC1)C(=O)N 7a_100000210269_100000702099 [0,1,0,0,1,0|2,0,0]=4 5221 B11R1.35 CC(SC1CCCC1)C(=O)N 62a_100000702099_100000179811 [0,1,0,0,1,0|2,0,0]=4 5222 B11R1.35 CC(SC1CCCC1)C(=O)N 62a_100011217020_100000702099 [0,1,0,0,1,0|2,0,0]=4 5223 B11R1.35 C[C@@H](NC1CCCC1)C(=O)N 2230a_100000119354_100000179811 [0,1,0,0,1,0|2,0,0]=4 5224 B11R1.35 C[C@@H](NC1CCCC1)C(=O)N 270004a_100000119354_100000210133 [0,1,0,0,1,0|2,0,0]=4 5225 B11R1.35 C[C@@H](NC1CCCC1)C(=O)N 34a_100000119354_100000179811 [0,1,0,0,1,0|2,0,0]=4 5226 B11R1.35 C[C@@H](OC1CCCC1)C(=O)N 34a_100000731257_100000179811 [0,1,0,0,1,0|2,0,0]=4 5227 B11R1.35 C[C@@H](OC1CCCC1)C(=O)N 7a_100000731257_100000179811 [0,1,0,0,1,0|2,0,0]=4 5228 B11R1.35 C[C@H](NC1CCCC1)C(=O)O 269956a_100000743915_100000179811 [0,1,0,0,1,0|1,0,0]=3 5229 B11R1.35 C[C@H](NC1CCOC1)C(=O)O 269956a_100000743915_100000731011 [0,1,0,0,1,0|2,0,0]=4 5230 B11R1.35 C[C@H](OC1CCCC1)C(=O)[O-] 7a_217856618621_100000179811 [0,1,0,0,1,0|1,0,1]=4 5231 B11R1.35 NC(=O)C(F)NC1CCCC1 2230a_100000211070_100009813875 [0,1,0,0,1,0|2,0,0]=4 5232 B11R1.35 NC(=O)C(F)NC1CCCC1 34a_100000211070_100009813875 [0,1,0,0,1,0|2,0,0]=4 5233 B11R1.35 NC(=O)C(F)OC1CCCC1 34a_100000210269_100009813875 [0,1,0,0,1,0|2,0,0]=4 5234 B11R1.35 NC(=O)C(F)OC1CCCC1 7a_100000210269_100009813875 [0,1,0,0,1,0|2,0,0]=4 5235 B11R1.35 NC(=O)C(F)SC1CCCC1 62a_100009813875_100000179811 [0,1,0,0,1,0|2,0,0]=4 5236 B11R1.35 NC(=O)C(F)SC1CCCC1 62a_100011217020_100009813875 [0,1,0,0,1,0|2,0,0]=4 5237 B11R1.35 O=C([O-])C(F)NC1CCCC1 34a_100000211070_100020610796 [0,1,0,0,1,0|1,0,1]=4 5238 B11R1.35 O=C([O-])C(F)OC1CCCC1 34a_100000210269_100020610796 [0,1,0,0,1,0|1,0,1]=4 5239 B11R1.35 O=C([O-])C(F)SC1CCCC1 62a_100011217020_100020610796 [0,1,0,0,1,0|1,0,1]=4 5240 B11R1.35 O=C([O-])C(F)SC1CCCC1 62a_100020610796_100000179811 [0,1,0,0,1,0|1,0,1]=4 5241 B11R1.75 CC(=O)CCN1CCC(C1)O 269982a_100011215560_100000053229 [0,1,0,0,1,0|2,0,0]=4 5242 B11R1.75 CC(=O)CCN1CC[C@@H](C1)F 269982a_100015203821_100000053229 [0,1,0,0,1,0|2,0,0]=4 5243 B11R1.75 CC(=O)CCN1CC[C@H](C1)C 269982a_100016987628_100000053229 [0,1,0,0,1,0|2,0,0]=4 5244 B11R1.75 CC1CCC(C1)OCC(=O)N 34a_100000698185_100000187820 [0,1,0,0,1,0|2,0,0]=4 5245 B11R1.75 CC1CCC(C1)OCC(=O)[O-] 34a_100000698185_100020667443 [0,1,0,0,1,0|1,0,1]=4 5246 B11R1.75 CN1CCC(C1)NCC(=O)O 269956a_100016091260_200012183744 [0,1,0,0,1,0|2,0,0]=4 5247 B11R1.75 C[C@@H]1CCN(C1)CCC(=O)N 2230a_100016987628_100000744528 [0,1,0,0,1,0|2,0,0]=4 5248 B11R1.75 C[C@@H]1CCN(C1)CCC(=O)N 269982a_100016987628_100000744528 [0,1,0,0,1,0|2,0,0]=4 5249 B11R1.75 C[C@@H]1CCN(C1)CCC(=O)N 34a_100016987628_100000731001 [0,1,0,0,1,0|2,0,0]=4 5250 B11R1.75 NC(=O)CCN1CCC(C1)O 2230a_100011215560_100000744528 [0,1,0,0,1,0|2,0,0]=4 5251 B11R1.75 NC(=O)CCN1CCC(C1)O 269982a_100011215560_100000744528 [0,1,0,0,1,0|2,0,0]=4 5252 B11R1.75 NC(=O)CCN1CC[C@@H](C1)F 2230a_100015203821_100000744528 [0,1,0,0,1,0|2,0,0]=4 5253 B11R1.75 NC(=O)CCN1CC[C@@H](C1)F 269982a_100015203821_100000744528 [0,1,0,0,1,0|2,0,0]=4 5254 B11R1.75 NC(=O)CCN1CC[C@@H](C1)F 34a_100015203821_100000731001 [0,1,0,0,1,0|2,0,0]=4 5255 B11R1.75 NC(=O)CN[C@H]1CC[C@H](C1)O 2230a_100015195300_100000747473 [0,1,0,0,1,0|2,0,0]=4 5256 B11R1.77 CC(=O)CC(C)N1CCCC1 1458a_100000070787_200015187269 [0,1,0,0,1,0|2,0,0]=4 5257 B11R1.77 CC(=O)CN(C)C1CCCC1 1458a_100073796569_200000210301 [0,1,0,0,1,0|2,0,0]=4 5258 B11R1.77 CC(=O)NC(C)C1CCCC1 11a_100015185923_100015343762 [0,1,0,0,1,0|2,0,0]=4 5259 B11R1.77 CC(=O)NC(C)C1CCCC1 1626a_100015185923_100015343762 [0,1,0,0,1,0|2,0,0]=4 5260 B11R1.77 CC(=O)NC(C)C1CCCC1 240690a_100015185923_100015343762 [0,1,0,0,1,0|2,0,0]=4 5261 B11R1.77 CC(=O)NC(C)C1CCCC1 527a_100015185923_100103153847 [0,1,0,0,1,0|2,0,0]=4 5262 B11R1.77 CN(CC(=O)N)C1CCCC1 2230a_100000207505_100000747473 [0,1,0,0,1,0|2,0,0]=4 5263 B11R1.77 CN(CC(=O)N)C1CCCC1 2230a_100000739694_100000179811 [0,1,0,0,1,0|2,0,0]=4 5264 B11R1.77 CN(CC(=O)N)C1CCCC1 269982a_100000207505_100000187820 [0,1,0,0,1,0|2,0,0]=4 5265 B11R1.77 CN(CC(=O)N)C1CCCC1 270004a_100000739694_100000210133 [0,1,0,0,1,0|2,0,0]=4 5266 B11R1.77 CN(CC(=O)N)C1CCCC1 34a_100000207505_100000187820 [0,1,0,0,1,0|2,0,0]=4 5267 B11R1.77 CN(CC(=O)O)C1CCCC1 269956a_100000746989_100000179811 [0,1,0,0,1,0|1,0,0]=3 5268 B11R1.77 CN(CC(=O)O)C1CCOC1 269956a_100000746989_100000731011 [0,1,0,0,1,0|2,0,0]=4 5269 B11R1.77 CN(CC(=O)[13CH3])C1CCCC1 1458a_100073796569_200025704644 [0,1,0,0,1,0|2,0,0]=4 5270 B11R1.77 CN(CC(=O)[O-])C1CCCC1 269982a_100000207505_100020667443 [0,1,0,0,1,0|1,0,1]=4 5271 B11R1.77 CN(CC(=O)[O-])C1CCCC1 34a_100000207505_100020667443 [0,1,0,0,1,0|1,0,1]=4 5272 B11R1.77 NC(=O)CC(=O)C1CCCC1 1458a_100000210718_100000187820 [0,1,0,0,1,0|1,0,1]=4 5273 B11R1.77 NC(=O)CC(=O)C1CCCC1 1458a_100134613110_100000179811 [0,1,0,0,1,0|1,0,1]=4 5274 B11R1.77 O=C([O-])CC(=O)C1CCCC1 1458a_100000210718_100020667443 [0,1,0,0,1,0|0,0,2]=4 5275 B11R1.90 CC(=O)CCC1CCCN1C 1458a_100000070787_100000005710 [0,1,0,0,1,0|2,0,0]=4 5276 B11R1.90 CC(=O)CCN1CCC[C@@H]1C 269982a_100020605311_100000053229 [0,1,0,0,1,0|2,0,0]=4 5277 B11R1.90 CC(=O)CCN1CCC[C@H]1C 269982a_100015189458_100000053229 [0,1,0,0,1,0|2,0,0]=4 5278 B11R1.90 CC1CCCC1OCC(=O)N 34a_100011216460_100000187820 [0,1,0,0,1,0|2,0,0]=4 5279 B11R1.90 CC1CCCC1OCC(=O)N 7a_100011216460_100000187820 [0,1,0,0,1,0|2,0,0]=4 5280 B11R1.90 CC1CCCC1OCC(=O)[O-] 34a_100011216460_100020667443 [0,1,0,0,1,0|1,0,1]=4 5281 B11R1.90 C[C@@H]1CCCN1CCC(=O)N 2230a_100015189458_100000744528 [0,1,0,0,1,0|2,0,0]=4 5282 B11R1.90 C[C@@H]1CCCN1CCC(=O)N 269982a_100015189458_100000744528 [0,1,0,0,1,0|2,0,0]=4 5283 B11R1.90 C[C@@H]1CCCN1CCC(=O)N 34a_100015189458_100000731001 [0,1,0,0,1,0|2,0,0]=4 5284 B11R1.90 C[C@H]1CCCN1CCC(=O)N 2230a_100020605311_100000744528 [0,1,0,0,1,0|2,0,0]=4 5285 B11R1.90 C[C@H]1CCCN1CCC(=O)N 269982a_100020605311_100000744528 [0,1,0,0,1,0|2,0,0]=4 5286 B11R1.90 NC(=O)CO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100000187820 [0,1,0,0,1,0|2,0,0]=4 5287 B11R1.90 NC(=O)CO[C@H]1CCC[C@@H]1N 34a_100000748460_100000187820 [0,1,0,0,1,0|2,0,0]=4 5288 B11R1.90 NC(=O)CS[C@@H]1CCC[C@H]1O 62a_100000747473_200016002552 [0,1,0,0,1,0|2,0,0]=4 5289 B11R1.90 NC(=O)CS[C@@H]1CCC[C@H]1O 62a_200016002552_100000747473 [0,1,0,0,1,0|2,0,0]=4 5290 B11R1.90 N[C@H]1CCC[C@@H]1OCC(=O)[O-] 34a_100000748460_100020667443 [0,1,0,0,1,0|1,0,1]=4 5291 B11R1.90 O=C(O)CNC1CCCC1=O 269956a_100016091260_100000211823 [0,1,0,0,1,0|1,0,1]=4 5292 B11R1.90 O=C(O)CNC1COCC1O 269956a_100016091260_200000725654 [0,1,0,0,1,0|2,0,0]=4 5293 B11R1.90 O=C(O)CN[C@@H]1CCC[C@H]1O 269956a_100016091260_200016002552 [0,1,0,0,1,0|1,0,0]=3 5294 B11R1.90 O=C([O-])CO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100020667443 [0,1,0,0,1,0|1,0,1]=4 5295 B11R1.90 O=C([O-])CS[C@@H]1CCC[C@H]1O 62a_100020667443_200016002552 [0,1,0,0,1,0|1,0,1]=4 5296 B11R1.90 O=C([O-])CS[C@@H]1CCC[C@H]1O 62a_200016002552_100020667443 [0,1,0,0,1,0|1,0,1]=4 5297 B11R1.713 CC(=O)NCC1(CCCC1)O 11a_100000737848_100015343762 [0,1,0,0,1,0|2,0,0]=4 5298 B11R1.713 CC(=O)NCC1(CCCC1)O 1626a_100000737848_100015343762 [0,1,0,0,1,0|2,0,0]=4 5299 B11R1.713 CC(=O)NCC1(CCCC1)O 240690a_100000737848_100015343762 [0,1,0,0,1,0|2,0,0]=4 5300 B11R1.713 CC(=O)NCC1(CCCC1)O 527a_100000737848_100103153847 [0,1,0,0,1,0|2,0,0]=4 5301 B11R1.713 CC1(CCCC1)OCC(=O)N 34a_100000751722_100000187820 [0,1,0,0,1,0|2,0,0]=4 5302 B11R1.713 CC1(CCCC1)OCC(=O)N 7a_100000751722_100000187820 [0,1,0,0,1,0|2,0,0]=4 5303 B11R1.713 CC1(CCCC1)OCC(=O)[O-] 34a_100000751722_100020667443 [0,1,0,0,1,0|1,0,1]=4 5304 B13R1.45 C=C(C)CCC(=O)C1CCCCC1 1458a_100000210647_100000730704 [0,1,0,0,0,1|2,0,0]=4 5305 B13R1.45 C=C(C)CCC(=O)C1CCCCC1 1458a_200000688413_100000210327 [0,1,0,0,0,1|2,0,0]=4 5306 B13R1.45 C=C(C)CCN(C)C1CCCCC1 2230a_100000207522_100000730704 [0,1,0,0,0,1|2,0,0]=4 5307 B13R1.45 C=C(C)CCN(C)C1CCCCC1 269982a_100000207522_100000730704 [0,1,0,0,0,1|2,0,0]=4 5308 B13R1.45 C=C(C)CCN(C)C1CCCCC1 34a_100000207522_100000730704 [0,1,0,0,0,1|2,0,0]=4 5309 B13R1.45 C=C(C)CN[C@H](C)C1CCCCC1 2230a_100025707633_100000748629 [0,1,0,0,0,1|2,0,0]=4 5310 B13R1.45 C=C(C)CN[C@H](C)C1CCCCC1 34a_100025707633_100000748629 [0,1,0,0,0,1|2,0,0]=4 5311 B13R1.45 C=C(C)COC(C)C1CCCCC1 34a_100011216961_100000748629 [0,1,0,0,0,1|2,0,0]=4 5312 B13R1.45 C=C(C)COC(C)C1CCCCC1 7a_100011216961_100000748629 [0,1,0,0,0,1|2,0,0]=4 5313 B13R1.45 C=C(F)CN[C@H](C)C1CCCCC1 2230a_100025707633_100009893438 [0,1,0,0,0,1|2,0,0]=4 5314 B13R1.45 C=C(F)CN[C@H](C)C1CCCCC1 34a_100025707633_100009893438 [0,1,0,0,0,1|2,0,0]=4 5315 B13R1.45 C=C(F)COC(C)C1CCCCC1 34a_100011216961_100009893438 [0,1,0,0,0,1|2,0,0]=4 5316 B13R1.45 C=C(F)COC(C)C1CCCCC1 7a_100011216961_100000042424 [0,1,0,0,0,1|2,0,0]=4 5317 B13R1.45 CC(=O)CCC(=O)N1CCCCC1 1458a_100000070787_100102558178 [0,1,0,0,0,1|2,0,0]=4 5318 B13R1.45 CC(=O)CCC(=O)N1CCCCC1 1458a_200000243808_200000210301 [0,1,0,0,0,1|2,0,0]=4 5319 B13R1.45 CC(=O)CCC(C)N1CCCCC1 1458a_100015185227_200000210301 [0,1,0,0,0,1|2,0,0]=4 5320 B13R1.45 CC(=O)CCN(C)C1CCCCC1 269982a_100000207522_100000053229 [0,1,0,0,0,1|1,0,0]=3 5321 B13R1.45 CC(=O)CCN(C)C1CCOCC1 269982a_100020587155_100000053229 [0,1,0,0,0,1|2,0,0]=4 5322 B13R1.45 CC(=O)CCN(C)C1CCSCC1 269982a_100015184757_100000053229 [0,1,0,0,0,1|2,0,0]=4 5323 B13R1.45 CC(=O)CNC(=O)C1CCCCC1 1458a_100000183267_200000210301 [0,1,0,0,0,1|1,0,1]=4 5324 B13R1.45 CC(=O)COC(=O)C1CCCCC1 1458a_100000070787_100009893799 [0,1,0,0,0,1|1,0,1]=4 5325 B13R1.45 CC(=O)NCC(=O)C1CCCCC1 1458a_100000194580_100000210327 [0,1,0,0,0,1|1,0,1]=4 5326 B13R1.45 CC(=O)OCC(=O)C1CCCCC1 1458a_100000183556_100000210327 [0,1,0,0,0,1|1,0,1]=4 5327 B13R1.45 CC(=O)OCN(C)C1CCCCC1 269982a_100000207522_100000076356 [0,1,0,0,0,1|2,0,0]=4 5328 B13R1.45 CC(=O)OCN(C)C1CCCCC1 34a_100000207522_100009813279 [0,1,0,0,0,1|2,0,0]=4 5329 B13R1.45 CC(=O)SCC(=O)C1CCCCC1 1458a_100000049016_100000210327 [0,1,0,0,0,1|1,0,1]=4 5330 B13R1.45 CC(CCC(=O)[13CH3])N1CCCCC1 1458a_100015185227_200025704644 [0,1,0,0,0,1|2,0,0]=4 5331 B13R1.45 CC(O)CCC(=O)C1CCCCC1 1458a_100000210647_100012276601 [0,1,0,0,0,1|1,0,1]=4 5332 B13R1.45 CC(O)CCN(C)C1CCCCC1 2230a_100000207522_100012276601 [0,1,0,0,0,1|1,0,1]=4 5333 B13R1.45 CC(O)CCN(C)C1CCCCC1 269982a_100000207522_100012276601 [0,1,0,0,0,1|1,0,1]=4 5334 B13R1.45 CC(O)CCN(C)C1CCCCC1 34a_100000207522_100012276601 [0,1,0,0,0,1|1,0,1]=4 5335 B13R1.45 CC(O)CNC(C)C1CCCCC1 269862a_100000210904_100000210989 [0,1,0,0,0,1|1,0,1]=4 5336 B13R1.45 CC(O)CN[C@H](C)C1CCCCC1 2230a_100025707633_100011218427 [0,1,0,0,0,1|1,0,1]=4 5337 B13R1.45 CC(O)CN[C@H](C)C1CCCCC1 34a_100025707633_100011218427 [0,1,0,0,0,1|1,0,1]=4 5338 B13R1.45 CC(O)COC(C)C1CCCCC1 34a_100011216961_100011218427 [0,1,0,0,0,1|1,0,1]=4 5339 B13R1.45 CC(O)COC(C)C1CCCCC1 7a_100011216961_100011218427 [0,1,0,0,0,1|1,0,1]=4 5340 B13R1.45 CC(OCC(=O)N)C1CCCCC1 34a_100011216961_100000187820 [0,1,0,0,0,1|1,0,0]=3 5341 B13R1.45 CC(OCC(=O)N)C1CCCCC1 7a_100011216961_100000187820 [0,1,0,0,0,1|1,0,0]=3 5342 B13R1.45 CC(OCC(=O)N)C1CCCNC1 34a_100000740858_100000187820 [0,1,0,0,0,1|2,0,0]=4 5343 B13R1.45 CC(OCC(=O)N)C1CCNCC1 34a_100011728446_100000187820 [0,1,0,0,0,1|2,0,0]=4 5344 B13R1.45 CC(OCC(=O)[O-])C1CCCCC1 34a_100011216961_100020667443 [0,1,0,0,0,1|0,0,1]=3 5345 B13R1.45 CC(OCC(=O)[O-])C1CCCNC1 34a_100000740858_100020667443 [0,1,0,0,0,1|1,0,1]=4 5346 B13R1.45 CC(OCC(=O)[O-])C1CCNCC1 34a_100011728446_100020667443 [0,1,0,0,0,1|1,0,1]=4 5347 B13R1.45 CC(OC[C@@H](C)O)C1CCCCC1 34a_100011216961_100009817552 [0,1,0,0,0,1|1,0,1]=4 5348 B13R1.45 CC(OC[C@@H](C)O)C1CCCCC1 7a_100011216961_100009817552 [0,1,0,0,0,1|1,0,1]=4 5349 B13R1.45 CC(OC[N+](=O)[O-])C1CCCCC1 34a_100011216961_100000761209 [0,1,0,0,0,1|1,0,1]=4 5350 B13R1.45 CN(CCC(=O)N)C1CCCCC1 2230a_100000207522_100000744528 [0,1,0,0,0,1|1,0,0]=3 5351 B13R1.45 CN(CCC(=O)N)C1CCCCC1 269982a_100000207522_100000744528 [0,1,0,0,0,1|1,0,0]=3 5352 B13R1.45 CN(CCC(=O)N)C1CCCCC1 270004a_100000730477_100000210434 [0,1,0,0,0,1|1,0,0]=3 5353 B13R1.45 CN(CCC(=O)N)C1CCCCC1 34a_100000207522_100000731001 [0,1,0,0,0,1|1,0,0]=3 5354 B13R1.45 CN(CCC(=O)N)C1CCCOC1 270004a_100000730477_100000753404 [0,1,0,0,0,1|2,0,0]=4 5355 B13R1.45 CN(CCC(=O)N)C1CCCSC1 270004a_100000730477_100000057913 [0,1,0,0,0,1|2,0,0]=4 5356 B13R1.45 CN(CCC(=O)N)C1CCNCC1 270004a_100000730477_100015192401 [0,1,0,0,0,1|2,0,0]=4 5357 B13R1.45 CN(CCC(=O)N)C1CCOCC1 2230a_100020587155_100000744528 [0,1,0,0,0,1|2,0,0]=4 5358 B13R1.45 CN(CCC(=O)N)C1CCOCC1 269982a_100020587155_100000744528 [0,1,0,0,0,1|2,0,0]=4 5359 B13R1.45 CN(CCC(=O)N)C1CCOCC1 270004a_100000730477_100011217826 [0,1,0,0,0,1|2,0,0]=4 5360 B13R1.45 CN(CCC(=O)N)C1CCOCC1 34a_100020587155_100000731001 [0,1,0,0,0,1|2,0,0]=4 5361 B13R1.45 CN(CCC(=O)N)C1CCSCC1 2230a_100015184757_100000744528 [0,1,0,0,0,1|2,0,0]=4 5362 B13R1.45 CN(CCC(=O)N)C1CCSCC1 269982a_100015184757_100000744528 [0,1,0,0,0,1|2,0,0]=4 5363 B13R1.45 CN(CCC(=O)N)C1CCSCC1 270004a_100000730477_100000203788 [0,1,0,0,0,1|2,0,0]=4 5364 B13R1.45 CN(CCC(=O)N)C1CCSCC1 34a_100015184757_100000731001 [0,1,0,0,0,1|2,0,0]=4 5365 B13R1.45 C[C@@H](NCC(=O)N)C1CCCCC1 2230a_100025707633_100000747473 [0,1,0,0,0,1|1,0,0]=3 5366 B13R1.45 C[C@@H](NCC(=O)N)C1CCCCC1 34a_100025707633_100000187820 [0,1,0,0,0,1|1,0,0]=3 5367 B13R1.45 C[C@@H](NCC(=O)[O-])C1CCCCC1 34a_100025707633_100020667443 [0,1,0,0,0,1|0,0,1]=3 5368 B13R1.45 C[C@@H](NC[N+](=O)[O-])C1CCCCC1 34a_100025707633_100000761209 [0,1,0,0,0,1|1,0,1]=4 5369 B13R1.45 C[C@@H](O)CN[C@H](C)C1CCCCC1 2230a_100025707633_100009817552 [0,1,0,0,0,1|1,0,1]=4 5370 B13R1.45 C[C@@H](O)CN[C@H](C)C1CCCCC1 34a_100025707633_100009817552 [0,1,0,0,0,1|1,0,1]=4 5371 B13R1.45 C[C@@H](OCC(=O)N)C1CCOCC1 34a_100000703848_100000187820 [0,1,0,0,0,1|2,0,0]=4 5372 B13R1.45 C[C@@H](OCC(=O)N)C1CCOCC1 7a_100000703848_100000187820 [0,1,0,0,0,1|2,0,0]=4 5373 B13R1.45 C[C@@H](OCC(=O)[O-])C1CCOCC1 34a_100000703848_100020667443 [0,1,0,0,0,1|1,0,1]=4 5374 B13R1.45 NC(=O)CCC(=O)C1CCCCC1 1458a_100011215257_100000210327 [0,1,0,0,0,1|1,0,0]=3 5375 B13R1.45 NC(=O)CCC(=O)C1CCCOC1 1458a_100011215257_100000693364 [0,1,0,0,0,1|2,0,0]=4 5376 B13R1.45 NC(=O)CCC(=O)C1CCOCC1 1458a_100011215257_100011324220 [0,1,0,0,0,1|2,0,0]=4 5377 B13R1.45 NC(=O)CNC(=O)C1CCCCC1 11a_100000711301_100000210647 [0,1,0,0,0,1|1,0,1]=4 5378 B13R1.45 NC(=O)CNC(=O)C1CCCCC1 240690a_100000711301_100000210647 [0,1,0,0,0,1|1,0,1]=4 5379 B13R1.45 NC(=O)CNC(=O)C1CCCCC1 527a_100000711301_100000210647 [0,1,0,0,0,1|1,0,1]=4 5380 B13R1.45 NC(=O)NCC(=O)C1CCCCC1 1458a_100000184981_100000210327 [0,1,0,0,0,1|1,0,1]=4 5381 B13R1.45 O=C(CC[N+](=O)[O-])C1CCCCC1 1458a_200000064761_100000210327 [0,1,0,0,0,1|1,0,1]=4 5382 B13R1.45 [13CH3]C(=O)CCC(=O)N1CCCCC1 1458a_200000243808_200025704644 [0,1,0,0,0,1|2,0,0]=4 5383 B13R1.45 [13CH3]C(=O)CNC(=O)C1CCCCC1 1458a_100000183267_200025704644 [0,1,0,0,0,1|1,0,1]=4 5384 B13R1.149 C=C(C)CCNC1CCCC(C1)C 2230a_100011194320_100000730704 [0,1,0,0,0,1|2,0,0]=4 5385 B13R1.149 C=C(C)CCNC1CCCC(C1)C 34a_100011194320_100000730704 [0,1,0,0,0,1|2,0,0]=4 5386 B13R1.149 C=C(C)CCNC1CCCC(C1)O 2230a_100015190357_100000730704 [0,1,0,0,0,1|2,0,0]=4 5387 B13R1.149 C=C(C)CCOC1CCCC(C1)C 34a_100000211399_100000730704 [0,1,0,0,0,1|2,0,0]=4 5388 B13R1.149 C=C(C)CNCC1CCCC(C1)O 2230a_100011254705_100000748629 [0,1,0,0,0,1|2,0,0]=4 5389 B13R1.149 C=C(F)CNCC1CCCC(C1)O 2230a_100011254705_100009893438 [0,1,0,0,0,1|2,0,0]=4 5390 B13R1.149 CC(=O)CCCN1CCCC(C1)F 269982a_100000697950_100011215641 [0,1,0,0,0,1|2,0,0]=4 5391 B13R1.149 CC(=O)CCCN1CCCC(C1)F 34a_100000697950_100000685027 [0,1,0,0,0,1|2,0,0]=4 5392 B13R1.149 CC(=O)CCCN1CCCC(C1)O 269982a_100000211013_100011215641 [0,1,0,0,0,1|2,0,0]=4 5393 B13R1.149 CC(=O)CCCN1CCC[C@@H](C1)C 269982a_100000717927_100011215641 [0,1,0,0,0,1|2,0,0]=4 5394 B13R1.149 CC(=O)CCCN1CCC[C@@H](C1)C 34a_100000717927_100000685027 [0,1,0,0,0,1|2,0,0]=4 5395 B13R1.149 CC(=O)CCOC1CCOC(C1)C 7a_100011986385_100000053229 [0,1,0,0,0,1|2,0,0]=4 5396 B13R1.149 CC(=O)COCC1CCCN(C1)C 34a_100000211253_100015183302 [0,1,0,0,0,1|2,0,0]=4 5397 B13R1.149 CC(=O)NCCC1CCCN(C1)C 240690a_100011919708_100015343762 [0,1,0,0,0,1|2,0,0]=4 5398 B13R1.149 CC(=O)NCCN1CCCC(C1)C 240690a_100000739826_100015343762 [0,1,0,0,0,1|2,0,0]=4 5399 B13R1.149 CC(=O)NCCN1CCCC(C1)C 527a_100000739826_100103153847 [0,1,0,0,0,1|2,0,0]=4 5400 B13R1.149 CC(=O)NCCN1CCCC(C1)F 2230a_100000697950_100000189650 [0,1,0,0,0,1|2,0,0]=4 5401 B13R1.149 CC(=O)NCCN1CCCC(C1)F 269982a_100000697950_100000189650 [0,1,0,0,0,1|2,0,0]=4 5402 B13R1.149 CC(=O)NCCN1CCCC(C1)O 2230a_100000211013_100000189650 [0,1,0,0,0,1|2,0,0]=4 5403 B13R1.149 CC(=O)NCCN1CCCC(C1)O 269982a_100000211013_100000189650 [0,1,0,0,0,1|2,0,0]=4 5404 B13R1.149 CC(=O)NCCN1CCC[C@@H](C1)C 2230a_100000717927_100000189650 [0,1,0,0,0,1|2,0,0]=4 5405 B13R1.149 CC(=O)NCCN1CCC[C@@H](C1)C 269982a_100000717927_100000189650 [0,1,0,0,0,1|2,0,0]=4 5406 B13R1.149 CC(=O)OCCN1CCCC(C1)F 269982a_100000697950_100009814007 [0,1,0,0,0,1|2,0,0]=4 5407 B13R1.149 CC(=O)OCCN1CCCC(C1)F 34a_100000697950_100009814007 [0,1,0,0,0,1|2,0,0]=4 5408 B13R1.149 CC(=O)OCCN1CCCC(C1)O 269982a_100000211013_100009814007 [0,1,0,0,0,1|2,0,0]=4 5409 B13R1.149 CC(=O)OCCN1CCC[C@@H](C1)C 269982a_100000717927_100009814007 [0,1,0,0,0,1|2,0,0]=4 5410 B13R1.149 CC(=O)OCCN1CCC[C@@H](C1)C 34a_100000717927_100009814007 [0,1,0,0,0,1|2,0,0]=4 5411 B13R1.149 CC(=O)OCNC1CCCC(C1)C 34a_100011194320_100009813279 [0,1,0,0,0,1|2,0,0]=4 5412 B13R1.149 CC(=O)OCOC1CCCC(C1)C 34a_100000211399_100009813279 [0,1,0,0,0,1|2,0,0]=4 5413 B13R1.149 CC(O)CCNC1CCCC(C1)C 2230a_100011194320_100012276601 [0,1,0,0,0,1|1,0,1]=4 5414 B13R1.149 CC(O)CCNC1CCCC(C1)C 270004a_200000755665_100000183594 [0,1,0,0,0,1|1,0,1]=4 5415 B13R1.149 CC(O)CCNC1CCCC(C1)C 34a_100011194320_100012276601 [0,1,0,0,0,1|1,0,1]=4 5416 B13R1.149 CC(O)CCNC1CCCC(C1)O 2230a_100015190357_100012276601 [0,1,0,0,0,1|1,0,1]=4 5417 B13R1.149 CC(O)CCNC1CCCC(C1)O 270004a_200000755665_100012613340 [0,1,0,0,0,1|1,0,1]=4 5418 B13R1.149 CC(O)CCOC1CCCC(C1)C 34a_100000211399_100012276601 [0,1,0,0,0,1|1,0,1]=4 5419 B13R1.149 CC(O)CNCC1CCCC(C1)O 2230a_100011254705_100011218427 [0,1,0,0,0,1|1,0,1]=4 5420 B13R1.149 CC1CC(CCO1)OCCC(=O)N 34a_100011986385_100000731001 [0,1,0,0,0,1|2,0,0]=4 5421 B13R1.149 CC1CC(CCO1)OCCC(=O)N 7a_100011986385_100000744528 [0,1,0,0,0,1|2,0,0]=4 5422 B13R1.149 CC1CCCC(C1)NCCC(=O)N 2230a_100011194320_100000744528 [0,1,0,0,0,1|1,0,0]=3 5423 B13R1.149 CC1CCCC(C1)NCCC(=O)N 34a_100011194320_100000731001 [0,1,0,0,0,1|1,0,0]=3 5424 B13R1.149 CC1CCCC(C1)OCCC(=O)N 34a_100000211399_100000731001 [0,1,0,0,0,1|1,0,0]=3 5425 B13R1.149 CC1CNCC(C1)COCC(=O)N 34a_200012821172_100000187820 [0,1,0,0,0,1|2,0,0]=4 5426 B13R1.149 CC1CNCC(C1)COCC(=O)[O-] 34a_200012821172_100020667443 [0,1,0,0,0,1|1,0,1]=4 5427 B13R1.149 CN1CCCC(C1)CNCC(=O)O 269956a_100016091260_100000752043 [0,1,0,0,0,1|1,0,0]=3 5428 B13R1.149 CN1CCCC(C1)CSCC(=O)N 62a_100000747473_100000752043 [0,1,0,0,0,1|2,0,0]=4 5429 B13R1.149 CN1CCCC(C1)CSCC(=O)N 62a_100000752043_100000747473 [0,1,0,0,0,1|2,0,0]=4 5430 B13R1.149 CN1CCCC(C1)CSCC(=O)[O-] 62a_100000752043_100020667443 [0,1,0,0,0,1|1,0,1]=4 5431 B13R1.149 CN1CCCC(C1)CSCC(=O)[O-] 62a_100020667443_100000752043 [0,1,0,0,0,1|1,0,1]=4 5432 B13R1.149 C[C@@H](O)CNCC1CCCC(C1)O 2230a_100011254705_100009817552 [0,1,0,0,0,1|1,0,1]=4 5433 B13R1.149 C[C@H]1CCCN(C1)CCCC(=O)N 269982a_100000717927_100102525003 [0,1,0,0,0,1|2,0,0]=4 5434 B13R1.149 C[C@H]1CCCN(C1)CCCC(=O)N 34a_100000717927_100102525003 [0,1,0,0,0,1|2,0,0]=4 5435 B13R1.149 C[C@H]1CCCN(C1)CCNC(=O)N 2230a_100000717927_200000034859 [0,1,0,0,0,1|2,0,0]=4 5436 B13R1.149 C[C@H]1CCCN(C1)CCNC(=O)N 269982a_100000717927_200000034859 [0,1,0,0,0,1|2,0,0]=4 5437 B13R1.149 C[C@H]1CCCN(C1)CCOC(=O)N 269982a_100000717927_200011214921 [0,1,0,0,0,1|2,0,0]=4 5438 B13R1.149 C[C@H]1CCCN(C1)CCOC(=O)N 34a_100000717927_200011214921 [0,1,0,0,0,1|2,0,0]=4 5439 B13R1.149 NC(=O)CCCN1CCCC(C1)F 269982a_100000697950_100102525003 [0,1,0,0,0,1|2,0,0]=4 5440 B13R1.149 NC(=O)CCCN1CCCC(C1)F 34a_100000697950_100102525003 [0,1,0,0,0,1|2,0,0]=4 5441 B13R1.149 NC(=O)CCCN1CCCC(C1)O 269982a_100000211013_100102525003 [0,1,0,0,0,1|2,0,0]=4 5442 B13R1.149 NC(=O)CCNC1CCCC(C1)O 2230a_100015190357_100000744528 [0,1,0,0,0,1|1,0,0]=3 5443 B13R1.149 NC(=O)CCOC1CCCC(=O)C1 34a_100012613340_100000731001 [0,1,0,0,0,1|1,0,1]=4 5444 B13R1.149 NC(=O)CNCC1CCCC(C1)O 2230a_100011254705_100000747473 [0,1,0,0,0,1|1,0,0]=3 5445 B13R1.149 NC(=O)NCCN1CCCC(C1)F 2230a_100000697950_200000034859 [0,1,0,0,0,1|2,0,0]=4 5446 B13R1.149 NC(=O)NCCN1CCCC(C1)F 269982a_100000697950_200000034859 [0,1,0,0,0,1|2,0,0]=4 5447 B13R1.149 NC(=O)NCCN1CCCC(C1)O 2230a_100000211013_200000034859 [0,1,0,0,0,1|2,0,0]=4 5448 B13R1.149 NC(=O)NCCN1CCCC(C1)O 269982a_100000211013_200000034859 [0,1,0,0,0,1|2,0,0]=4 5449 B13R1.149 NC(=O)OCCN1CCCC(C1)F 269982a_100000697950_200011214921 [0,1,0,0,0,1|2,0,0]=4 5450 B13R1.149 NC(=O)OCCN1CCCC(C1)F 34a_100000697950_200011214921 [0,1,0,0,0,1|2,0,0]=4 5451 B13R1.149 NC(=O)OCCN1CCCC(C1)O 269982a_100000211013_200011214921 [0,1,0,0,0,1|2,0,0]=4 5452 B13R1.158 C=C(Br)CCOC1CCCCC1F 34a_100009813270_100015423560 [0,1,0,0,0,1|2,0,0]=4 5453 B13R1.158 C=C(Br)CCOC1CCCCC1O 34a_100009813270_100000038908 [0,1,0,0,0,1|2,0,0]=4 5454 B13R1.158 C=C(C)CCNC1CCCCC1C 2230a_100000211402_100000730704 [0,1,0,0,0,1|2,0,0]=4 5455 B13R1.158 C=C(C)CCNC1CCCCC1C 34a_100000211402_100000730704 [0,1,0,0,0,1|2,0,0]=4 5456 B13R1.158 C=C(C)CCN[C@@H]1CCCC[C@H]1F 2230a_100015195156_100000730704 [0,1,0,0,0,1|2,0,0]=4 5457 B13R1.158 C=C(C)CCN[C@@H]1CCCC[C@H]1F 34a_100015195156_100000730704 [0,1,0,0,0,1|2,0,0]=4 5458 B13R1.158 C=C(C)CCOC1CCCCC1C 34a_100000211207_100000730704 [0,1,0,0,0,1|2,0,0]=4 5459 B13R1.158 C=C(C)CCOC1CCCCC1C 7a_100000211207_100000730704 [0,1,0,0,0,1|2,0,0]=4 5460 B13R1.158 C=C(C)CCOC1CCCCC1Cl 34a_100000038908_100000730704 [0,1,0,0,0,1|2,0,0]=4 5461 B13R1.158 C=C(C)CCOC1CCCCC1Cl 7a_100000038908_100000730704 [0,1,0,0,0,1|2,0,0]=4 5462 B13R1.158 C=C(C)CCOC1CCCCC1F 34a_100000764851_100015423560 [0,1,0,0,0,1|2,0,0]=4 5463 B13R1.158 C=C(C)CCOC1CCCCC1O 34a_100000764851_100000038908 [0,1,0,0,0,1|2,0,0]=4 5464 B13R1.158 C=C(C)CCO[C@@H]1CCCC[C@H]1F 34a_100009816020_100000730704 [0,1,0,0,0,1|2,0,0]=4 5465 B13R1.158 C=C(C)CCO[C@@H]1CCCC[C@H]1F 7a_100009816020_100000730704 [0,1,0,0,0,1|2,0,0]=4 5466 B13R1.158 C=C(C)CCO[C@H]1CCCC[C@H]1N 34a_100015191688_100000730704 [0,1,0,0,0,1|2,0,0]=4 5467 B13R1.158 C=C(C)CCSC1CCCCC1F 62a_100000730704_100015423560 [0,1,0,0,0,1|2,0,0]=4 5468 B13R1.158 C=C(C)CCSC1CCCCC1F 62a_100015423560_100000730704 [0,1,0,0,0,1|2,0,0]=4 5469 B13R1.158 C=C(C)CCSC1CCCCC1O 62a_100000038908_100000730704 [0,1,0,0,0,1|2,0,0]=4 5470 B13R1.158 C=C(C)CCSC1CCCCC1O 62a_100000730704_100000038908 [0,1,0,0,0,1|2,0,0]=4 5471 B13R1.158 C=C(C)CNCC1CCCCC1O 34a_100011216029_100000748629 [0,1,0,0,0,1|2,0,0]=4 5472 B13R1.158 C=C(F)CNCC1CCCCC1O 34a_100011216029_100009893438 [0,1,0,0,0,1|2,0,0]=4 5473 B13R1.158 CC(=O)CCCN1CCCCC1C 269982a_100000211376_100011215641 [0,1,0,0,0,1|2,0,0]=4 5474 B13R1.158 CC(=O)CCCN1CCCCC1C 34a_100000211376_100000685027 [0,1,0,0,0,1|2,0,0]=4 5475 B13R1.158 CC(=O)CCOC1CCCCC1=O 34a_100000759926_100000754470 [0,1,0,0,0,1|1,0,1]=4 5476 B13R1.158 CC(=O)CCOC1CCCCC1=O 7a_100000759926_100000204591 [0,1,0,0,0,1|1,0,1]=4 5477 B13R1.158 CC(=O)CCOC1CCCCC1C 7a_100000211207_100000053229 [0,1,0,0,0,1|1,0,0]=3 5478 B13R1.158 CC(=O)CCOC1CCCCC1Cl 7a_100000038908_100000053229 [0,1,0,0,0,1|1,0,0]=3 5479 B13R1.158 CC(=O)CCOC1CCCCC1F 34a_100000759926_100015423560 [0,1,0,0,0,1|1,0,0]=3 5480 B13R1.158 CC(=O)CCOC1CCCCC1O 34a_100000759926_100000038908 [0,1,0,0,0,1|1,0,0]=3 5481 B13R1.158 CC(=O)CCO[C@@H]1CCCC[C@H]1F 7a_100009816020_100000053229 [0,1,0,0,0,1|1,0,0]=3 5482 B13R1.158 CC(=O)CCSC1CCCCC1=O 62a_100000053229_100000204591 [0,1,0,0,0,1|1,0,1]=4 5483 B13R1.158 CC(=O)CCSC1CCCCC1=O 62a_100000204591_100000053229 [0,1,0,0,0,1|1,0,1]=4 5484 B13R1.158 CC(=O)CCSC1CCCCC1F 62a_100000053229_100015423560 [0,1,0,0,0,1|1,0,0]=3 5485 B13R1.158 CC(=O)CCSC1CCCCC1F 62a_100015423560_100000053229 [0,1,0,0,0,1|1,0,0]=3 5486 B13R1.158 CC(=O)CCSC1CCCCC1O 62a_100000038908_100000053229 [0,1,0,0,0,1|1,0,0]=3 5487 B13R1.158 CC(=O)CCSC1CCCCC1O 62a_100000053229_100000038908 [0,1,0,0,0,1|1,0,0]=3 5488 B13R1.158 CC(=O)COCC1CCCCN1C 34a_100000211253_100015186950 [0,1,0,0,0,1|2,0,0]=4 5489 B13R1.158 CC(=O)NCCC1CCCCN1C 2230a_200011221479_200000210301 [0,1,0,0,0,1|2,0,0]=4 5490 B13R1.158 CC(=O)NCCC1CCCCN1C 269982a_200011221479_200000210301 [0,1,0,0,0,1|2,0,0]=4 5491 B13R1.158 CC(=O)NCCC1CCCCN1C 34a_200011221479_200000210301 [0,1,0,0,0,1|2,0,0]=4 5492 B13R1.158 CC(=O)NCCC1CCCCN1[13CH3] 2230a_200011221479_200025704644 [0,1,0,0,0,1|2,0,0]=4 5493 B13R1.158 CC(=O)NCCC1CCCCN1[13CH3] 269982a_200011221479_200025704644 [0,1,0,0,0,1|2,0,0]=4 5494 B13R1.158 CC(=O)NCCC1CCCCN1[13CH3] 34a_200011221479_200025704644 [0,1,0,0,0,1|2,0,0]=4 5495 B13R1.158 CC(=O)NCCN1CCCCC1C 2230a_100000211376_100000189650 [0,1,0,0,0,1|2,0,0]=4 5496 B13R1.158 CC(=O)NCCN1CCCCC1C 240690a_100000739827_100015343762 [0,1,0,0,0,1|2,0,0]=4 5497 B13R1.158 CC(=O)NCCN1CCCCC1C 269982a_100000211376_100000189650 [0,1,0,0,0,1|2,0,0]=4 5498 B13R1.158 CC(=O)NCCN1CCCCC1C 527a_100000739827_100103153847 [0,1,0,0,0,1|2,0,0]=4 5499 B13R1.158 CC(=O)OCCN1CCCCC1C 269982a_100000211376_100009814007 [0,1,0,0,0,1|2,0,0]=4 5500 B13R1.158 CC(=O)OCCN1CCCCC1C 34a_100000211376_100009814007 [0,1,0,0,0,1|2,0,0]=4 5501 B13R1.158 CC(=O)OCNC1CCCCC1C 34a_100000211402_100009813279 [0,1,0,0,0,1|2,0,0]=4 5502 B13R1.158 CC(=O)OCN[C@@H]1CCCC[C@H]1F 34a_100015195156_100009813279 [0,1,0,0,0,1|2,0,0]=4 5503 B13R1.158 CC(=O)OCOC1CCCCC1C 34a_100000211207_100009813279 [0,1,0,0,0,1|2,0,0]=4 5504 B13R1.158 CC(=O)OCOC1CCCCC1Cl 34a_100000038908_100009813279 [0,1,0,0,0,1|2,0,0]=4 5505 B13R1.158 CC(=O)OCO[C@@H]1CCCC[C@H]1F 34a_100009816020_100009813279 [0,1,0,0,0,1|2,0,0]=4 5506 B13R1.158 CC(=O)OCO[C@H]1CCCC[C@H]1N 34a_100015191688_100009813279 [0,1,0,0,0,1|2,0,0]=4 5507 B13R1.158 CC(=O)OCSC1CCCCC1F 62a_100000076356_100015423560 [0,1,0,0,0,1|2,0,0]=4 5508 B13R1.158 CC(=O)OCSC1CCCCC1F 62a_100015423560_100000076356 [0,1,0,0,0,1|2,0,0]=4 5509 B13R1.158 CC(=O)OCSC1CCCCC1O 62a_100000038908_100000076356 [0,1,0,0,0,1|2,0,0]=4 5510 B13R1.158 CC(=O)OCSC1CCCCC1O 62a_100000076356_100000038908 [0,1,0,0,0,1|2,0,0]=4 5511 B13R1.158 CC(O)CCNC1CCCCC1C 2230a_100000211402_100012276601 [0,1,0,0,0,1|1,0,1]=4 5512 B13R1.158 CC(O)CCNC1CCCCC1C 269862a_200000755665_100000210921 [0,1,0,0,0,1|1,0,1]=4 5513 B13R1.158 CC(O)CCNC1CCCCC1C 270004a_200000755665_100000210921 [0,1,0,0,0,1|1,0,1]=4 5514 B13R1.158 CC(O)CCNC1CCCCC1C 34a_100000211402_100012276601 [0,1,0,0,0,1|1,0,1]=4 5515 B13R1.158 CC(O)CCN[C@@H]1CCCC[C@H]1F 2230a_100015195156_100012276601 [0,1,0,0,0,1|1,0,1]=4 5516 B13R1.158 CC(O)CCN[C@@H]1CCCC[C@H]1F 34a_100015195156_100012276601 [0,1,0,0,0,1|1,0,1]=4 5517 B13R1.158 CC(O)CCOC1CCCCC1C 34a_100000211207_100012276601 [0,1,0,0,0,1|1,0,1]=4 5518 B13R1.158 CC(O)CCOC1CCCCC1C 7a_100000211207_100012276601 [0,1,0,0,0,1|1,0,1]=4 5519 B13R1.158 CC(O)CCOC1CCCCC1Cl 34a_100000038908_100012276601 [0,1,0,0,0,1|1,0,1]=4 5520 B13R1.158 CC(O)CCOC1CCCCC1Cl 7a_100000038908_100012276601 [0,1,0,0,0,1|1,0,1]=4 5521 B13R1.158 CC(O)CCO[C@@H]1CCCC[C@H]1F 34a_100009816020_100012276601 [0,1,0,0,0,1|1,0,1]=4 5522 B13R1.158 CC(O)CCO[C@@H]1CCCC[C@H]1F 7a_100009816020_100012276601 [0,1,0,0,0,1|1,0,1]=4 5523 B13R1.158 CC(O)CCO[C@H]1CCCC[C@H]1N 34a_100015191688_100012276601 [0,1,0,0,0,1|1,0,1]=4 5524 B13R1.158 CC(O)CCSC1CCCCC1F 62a_100012276601_100015423560 [0,1,0,0,0,1|1,0,1]=4 5525 B13R1.158 CC(O)CCSC1CCCCC1F 62a_100015423560_100012276601 [0,1,0,0,0,1|1,0,1]=4 5526 B13R1.158 CC(O)CCSC1CCCCC1O 62a_100000038908_100012276601 [0,1,0,0,0,1|1,0,1]=4 5527 B13R1.158 CC(O)CCSC1CCCCC1O 62a_100012276601_100000038908 [0,1,0,0,0,1|1,0,1]=4 5528 B13R1.158 CC(O)CNCC1CCCCC1O 34a_100011216029_100011218427 [0,1,0,0,0,1|1,0,1]=4 5529 B13R1.158 CC1CCCCC1NCCC(=O)N 2230a_100000211402_100000744528 [0,1,0,0,0,1|1,0,0]=3 5530 B13R1.158 CC1CCCCC1NCCC(=O)N 269862a_100000740010_100000210921 [0,1,0,0,0,1|1,0,0]=3 5531 B13R1.158 CC1CCCCC1NCCC(=O)N 34a_100000211402_100000731001 [0,1,0,0,0,1|1,0,0]=3 5532 B13R1.158 CC1CCCCC1OCCC(=O)N 34a_100000211207_100000731001 [0,1,0,0,0,1|1,0,0]=3 5533 B13R1.158 CC1CCCCC1OCCC(=O)N 7a_100000211207_100000744528 [0,1,0,0,0,1|1,0,0]=3 5534 B13R1.158 CC1CCCCN1CCCC(=O)N 269982a_100000211376_100102525003 [0,1,0,0,0,1|2,0,0]=4 5535 B13R1.158 CC1CCCCN1CCCC(=O)N 34a_100000211376_100102525003 [0,1,0,0,0,1|2,0,0]=4 5536 B13R1.158 CC1CCCCN1CCNC(=O)N 2230a_100000211376_200000034859 [0,1,0,0,0,1|2,0,0]=4 5537 B13R1.158 CC1CCCCN1CCNC(=O)N 269982a_100000211376_200000034859 [0,1,0,0,0,1|2,0,0]=4 5538 B13R1.158 CC1CCCCN1CCOC(=O)N 269982a_100000211376_200011214921 [0,1,0,0,0,1|2,0,0]=4 5539 B13R1.158 CC1CCCCN1CCOC(=O)N 34a_100000211376_200011214921 [0,1,0,0,0,1|2,0,0]=4 5540 B13R1.158 CC1CCNCC1OCCC(=O)N 34a_100000696640_100000731001 [0,1,0,0,0,1|2,0,0]=4 5541 B13R1.158 CC1CNCCC1OCCC(=O)N 34a_100011998114_100000731001 [0,1,0,0,0,1|2,0,0]=4 5542 B13R1.158 CN1CCCCC1CNCC(=O)N 34a_100011228421_100000187820 [0,1,0,0,0,1|2,0,0]=4 5543 B13R1.158 CN1CCCCC1CNCC(=O)O 269956a_100016091260_100015185383 [0,1,0,0,0,1|1,0,0]=3 5544 B13R1.158 CN1CCCCC1CNCC(=O)[O-] 34a_100011228421_100020667443 [0,1,0,0,0,1|1,0,1]=4 5545 B13R1.158 CN1CCCCC1COCC(=O)N 34a_100000225079_100000187820 [0,1,0,0,0,1|2,0,0]=4 5546 B13R1.158 CN1CCCCC1COCC(=O)[O-] 34a_100000225079_100020667443 [0,1,0,0,0,1|1,0,1]=4 5547 B13R1.158 CN1CCCCC1CSCC(=O)N 62a_100000747473_100015185383 [0,1,0,0,0,1|2,0,0]=4 5548 B13R1.158 CN1CCCCC1CSCC(=O)N 62a_100015185383_100000747473 [0,1,0,0,0,1|2,0,0]=4 5549 B13R1.158 CN1CCCCC1CSCC(=O)[O-] 62a_100015185383_100020667443 [0,1,0,0,0,1|1,0,1]=4 5550 B13R1.158 CN1CCCCC1CSCC(=O)[O-] 62a_100020667443_100015185383 [0,1,0,0,0,1|1,0,1]=4 5551 B13R1.158 C[C@@H](O)CNCC1CCCCC1O 34a_100011216029_100009817552 [0,1,0,0,0,1|1,0,1]=4 5552 B13R1.158 NC(=O)CCN[C@@H]1CCCC[C@H]1F 2230a_100015195156_100000744528 [0,1,0,0,0,1|1,0,0]=3 5553 B13R1.158 NC(=O)CCN[C@@H]1CCCC[C@H]1F 34a_100015195156_100000731001 [0,1,0,0,0,1|1,0,0]=3 5554 B13R1.158 NC(=O)CCN[C@@H]1CCOC[C@@H]1O 2230a_100016994285_100000744528 [0,1,0,0,0,1|2,0,0]=4 5555 B13R1.158 NC(=O)CCN[C@H]1CCOC[C@@H]1F 2230a_100016994078_100000744528 [0,1,0,0,0,1|2,0,0]=4 5556 B13R1.158 NC(=O)CCN[C@H]1CCOC[C@@H]1F 34a_100016994078_100000731001 [0,1,0,0,0,1|2,0,0]=4 5557 B13R1.158 NC(=O)CCN[C@H]1COCC[C@@H]1O 2230a_100015739063_100000744528 [0,1,0,0,0,1|2,0,0]=4 5558 B13R1.158 NC(=O)CCOC1CCCCC1=O 34a_100000757172_100000754470 [0,1,0,0,0,1|1,0,1]=4 5559 B13R1.158 NC(=O)CCOC1CCCCC1=O 34a_100011214950_100000731001 [0,1,0,0,0,1|1,0,1]=4 5560 B13R1.158 NC(=O)CCOC1CCCCC1=O 7a_100000757172_100000204591 [0,1,0,0,0,1|1,0,1]=4 5561 B13R1.158 NC(=O)CCOC1CCCCC1Cl 34a_100000038908_100000731001 [0,1,0,0,0,1|1,0,0]=3 5562 B13R1.158 NC(=O)CCOC1CCCCC1Cl 7a_100000038908_100000744528 [0,1,0,0,0,1|1,0,0]=3 5563 B13R1.158 NC(=O)CCOC1CCCCC1F 34a_100000757172_100015423560 [0,1,0,0,0,1|1,0,0]=3 5564 B13R1.158 NC(=O)CCOC1CCCCC1O 34a_100000757172_100000038908 [0,1,0,0,0,1|1,0,0]=3 5565 B13R1.158 NC(=O)CCO[C@@H]1CCCC[C@H]1F 34a_100009816020_100000731001 [0,1,0,0,0,1|1,0,0]=3 5566 B13R1.158 NC(=O)CCO[C@@H]1CCCC[C@H]1F 7a_100009816020_100000744528 [0,1,0,0,0,1|1,0,0]=3 5567 B13R1.158 NC(=O)CCO[C@@H]1CCNC[C@@H]1F 34a_200016994291_100000731001 [0,1,0,0,0,1|2,0,0]=4 5568 B13R1.158 NC(=O)CCO[C@H]1CCCC[C@H]1N 34a_100015191688_100000731001 [0,1,0,0,0,1|1,0,0]=3 5569 B13R1.158 NC(=O)CCO[C@H]1CCOC[C@@H]1N 34a_100015739063_100000731001 [0,1,0,0,0,1|2,0,0]=4 5570 B13R1.158 NC(=O)CCO[C@H]1COCC[C@H]1N 34a_100016994285_100000731001 [0,1,0,0,0,1|2,0,0]=4 5571 B13R1.158 NC(=O)CCSC1CCCCC1=O 62a_100000204591_100000744528 [0,1,0,0,0,1|1,0,1]=4 5572 B13R1.158 NC(=O)CCSC1CCCCC1=O 62a_100000744528_100000204591 [0,1,0,0,0,1|1,0,1]=4 5573 B13R1.158 NC(=O)CCSC1CCCCC1F 62a_100000744528_100015423560 [0,1,0,0,0,1|1,0,0]=3 5574 B13R1.158 NC(=O)CCSC1CCCCC1F 62a_100015423560_100000744528 [0,1,0,0,0,1|1,0,0]=3 5575 B13R1.158 NC(=O)CCSC1CCCCC1O 62a_100000038908_100000744528 [0,1,0,0,0,1|1,0,0]=3 5576 B13R1.158 NC(=O)CCSC1CCCCC1O 62a_100000744528_100000038908 [0,1,0,0,0,1|1,0,0]=3 5577 B13R1.158 NC(=O)CNCC1CCCCC1O 34a_100011216029_100000187820 [0,1,0,0,0,1|1,0,0]=3 5578 B13R1.158 NC(=O)COCC1CCCCC1=O 34a_100009861125_100000187820 [0,1,0,0,0,1|1,0,1]=4 5579 B13R1.158 NC(=O)COCC1CCCCC1=O 7a_100009861125_100000187820 [0,1,0,0,0,1|1,0,1]=4 5580 B13R1.158 NC(=O)COCC1COCCC1N 34a_214813039666_100000187820 [0,1,0,0,0,1|2,0,0]=4 5581 B13R1.158 NC1CCOCC1COCC(=O)[O-] 34a_214813039666_100020667443 [0,1,0,0,0,1|1,0,1]=4 5582 B13R1.158 O=C(O)CONC1CCCCC1=O 269956a_100000106656_100000204591 [0,1,0,0,0,1|1,0,1]=4 5583 B13R1.158 O=C(O)CONC1CCCCC1F 269956a_100000106656_100015423560 [0,1,0,0,0,1|1,0,0]=3 5584 B13R1.158 O=C(O)CONC1CCCCC1O 269956a_100000106656_100000038908 [0,1,0,0,0,1|1,0,0]=3 5585 B13R1.158 O=C([O-])CNCC1CCCCC1O 34a_100011216029_100020667443 [0,1,0,0,0,1|0,0,1]=3 5586 B13R1.158 O=C([O-])COCC1CCCCC1=O 34a_100009861125_100020667443 [0,1,0,0,0,1|0,0,2]=4 5587 B13R1.158 O=[N+]([O-])CNCC1CCCCC1O 34a_100011216029_100000761209 [0,1,0,0,0,1|1,0,1]=4 5588 B13R1.348 C=C(C)CC(=O)CC1CCCCC1 1458a_100000211666_100000748629 [0,1,0,0,0,1|2,0,0]=4 5589 B13R1.348 C=C(C)CN(C)CC1CCCCC1 2230a_100000225649_100000211423 [0,1,0,0,0,1|2,0,0]=4 5590 B13R1.348 C=C(C)CN(C)CC1CCCCC1 2230a_100000736448_100000748629 [0,1,0,0,0,1|2,0,0]=4 5591 B13R1.348 C=C(C)CN(C)CC1CCCCC1 269982a_100000225649_100000211423 [0,1,0,0,0,1|2,0,0]=4 5592 B13R1.348 C=C(C)CN(C)CC1CCCCC1 269982a_100000736448_100000748629 [0,1,0,0,0,1|2,0,0]=4 5593 B13R1.348 C=C(C)CN(C)CC1CCCCC1 34a_100000736448_100000748629 [0,1,0,0,0,1|2,0,0]=4 5594 B13R1.348 C=C(F)CC(=O)CC1CCCCC1 1458a_100000211666_100009893438 [0,1,0,0,0,1|2,0,0]=4 5595 B13R1.348 C=C(F)CN(C)CC1CCCCC1 2230a_100000736448_100009893438 [0,1,0,0,0,1|2,0,0]=4 5596 B13R1.348 C=C(F)CN(C)CC1CCCCC1 269982a_100000736448_100009893438 [0,1,0,0,0,1|2,0,0]=4 5597 B13R1.348 C=C(F)CN(C)CC1CCCCC1 34a_100000736448_100009893438 [0,1,0,0,0,1|2,0,0]=4 5598 B13R1.348 CC(=O)CC(=O)NC1CCCCC1 1458a_100000070787_100000183541 [0,1,0,0,0,1|1,0,1]=4 5599 B13R1.348 CC(=O)CC(=O)OC1CCCCC1 1458a_100000070787_100000041653 [0,1,0,0,0,1|1,0,1]=4 5600 B13R1.348 CC(=O)NC(C)CN1CCCCC1 11a_100000738326_100015343762 [0,1,0,0,0,1|2,0,0]=4 5601 B13R1.348 CC(=O)NC(C)CN1CCCCC1 1626a_100000738326_100015343762 [0,1,0,0,0,1|2,0,0]=4 5602 B13R1.348 CC(=O)NC(C)CN1CCCCC1 240690a_100000738326_100015343762 [0,1,0,0,0,1|2,0,0]=4 5603 B13R1.348 CC(=O)NC(C)CN1CCCCC1 527a_100000738326_100103153847 [0,1,0,0,0,1|2,0,0]=4 5604 B13R1.348 CC(=O)OC(C)SC1CCCCC1 62a_100000210327_100009818208 [0,1,0,0,0,1|2,0,0]=4 5605 B13R1.348 CC(=O)OC(C)SC1CCCCC1 62a_100009818208_100000210327 [0,1,0,0,0,1|2,0,0]=4 5606 B13R1.348 CC(O)CC(=O)CC1CCCCC1 1458a_100000211666_100011218427 [0,1,0,0,0,1|1,0,1]=4 5607 B13R1.348 CC(O)CN(C)CC1CCCCC1 2230a_100000227577_100000211423 [0,1,0,0,0,1|1,0,1]=4 5608 B13R1.348 CC(O)CN(C)CC1CCCCC1 2230a_100000736448_100011218427 [0,1,0,0,0,1|1,0,1]=4 5609 B13R1.348 CC(O)CN(C)CC1CCCCC1 269982a_100000227577_100000211423 [0,1,0,0,0,1|1,0,1]=4 5610 B13R1.348 CC(O)CN(C)CC1CCCCC1 269982a_100000736448_100011218427 [0,1,0,0,0,1|1,0,1]=4 5611 B13R1.348 CC(O)CN(C)CC1CCCCC1 34a_100000736448_100011218427 [0,1,0,0,0,1|1,0,1]=4 5612 B13R1.348 CN(CC(=O)N)CC1CCCCC1 2230a_100000736448_100000747473 [0,1,0,0,0,1|1,0,0]=3 5613 B13R1.348 CN(CC(=O)N)CC1CCCCC1 2230a_100000739694_100000211423 [0,1,0,0,0,1|1,0,0]=3 5614 B13R1.348 CN(CC(=O)N)CC1CCCCC1 269982a_100000736448_100000187820 [0,1,0,0,0,1|1,0,0]=3 5615 B13R1.348 CN(CC(=O)N)CC1CCCCC1 34a_100000736448_100000187820 [0,1,0,0,0,1|1,0,0]=3 5616 B13R1.348 CN(CC(=O)N)CC1CCCCO1 2230a_100000225654_100000747473 [0,1,0,0,0,1|2,0,0]=4 5617 B13R1.348 CN(CC(=O)N)CC1CCCCO1 2230a_100000739694_100000211543 [0,1,0,0,0,1|2,0,0]=4 5618 B13R1.348 CN(CC(=O)N)CC1CCCCO1 269982a_100000225654_100000187820 [0,1,0,0,0,1|2,0,0]=4 5619 B13R1.348 CN(CC(=O)N)CC1CCCCO1 34a_100000225654_100000187820 [0,1,0,0,0,1|2,0,0]=4 5620 B13R1.348 CN(CC(=O)N)CC1CCCOC1 2230a_100000739694_100000741521 [0,1,0,0,0,1|2,0,0]=4 5621 B13R1.348 CN(CC(=O)N)CC1CCOCC1 2230a_100000739694_100000754603 [0,1,0,0,0,1|2,0,0]=4 5622 B13R1.348 CN(CC(=O)N)CC1CCOCC1 2230a_100025706683_100000747473 [0,1,0,0,0,1|2,0,0]=4 5623 B13R1.348 CN(CC(=O)N)CC1CCOCC1 269982a_100025706683_100000187820 [0,1,0,0,0,1|2,0,0]=4 5624 B13R1.348 CN(CC(=O)N)CC1CCOCC1 34a_100025706683_100000187820 [0,1,0,0,0,1|2,0,0]=4 5625 B13R1.348 CN(CC(=O)N)CC1CCSCC1 2230a_100011935259_100000747473 [0,1,0,0,0,1|2,0,0]=4 5626 B13R1.348 CN(CC(=O)N)CC1CCSCC1 269982a_100011935259_100000187820 [0,1,0,0,0,1|2,0,0]=4 5627 B13R1.348 CN(CC(=O)N)CC1CCSCC1 270004a_100000739694_100000067145 [0,1,0,0,0,1|2,0,0]=4 5628 B13R1.348 CN(CC(=O)N)CC1CCSCC1 34a_100011935259_100000187820 [0,1,0,0,0,1|2,0,0]=4 5629 B13R1.348 CN(CC(=O)O)CC1CCCCC1 269956a_100000746989_100000211423 [0,1,0,0,0,1|0,0,0]=2 5630 B13R1.348 CN(CC(=O)O)CC1CCCCO1 269956a_100000746989_100000211543 [0,1,0,0,0,1|1,0,0]=3 5631 B13R1.348 CN(CC(=O)O)CC1CCCOC1 269956a_100000746989_100000741521 [0,1,0,0,0,1|1,0,0]=3 5632 B13R1.348 CN(CC(=O)O)CC1CCOCC1 269956a_100000746989_100000754603 [0,1,0,0,0,1|1,0,0]=3 5633 B13R1.348 CN(CC(=O)[O-])CC1CCCCC1 269982a_100000736448_100020667443 [0,1,0,0,0,1|0,0,1]=3 5634 B13R1.348 CN(CC(=O)[O-])CC1CCCCC1 34a_100000736448_100020667443 [0,1,0,0,0,1|0,0,1]=3 5635 B13R1.348 CN(CC(=O)[O-])CC1CCCCO1 269982a_100000225654_100020667443 [0,1,0,0,0,1|1,0,1]=4 5636 B13R1.348 CN(CC(=O)[O-])CC1CCCCO1 34a_100000225654_100020667443 [0,1,0,0,0,1|1,0,1]=4 5637 B13R1.348 CN(CC(=O)[O-])CC1CCOCC1 269982a_100025706683_100020667443 [0,1,0,0,0,1|1,0,1]=4 5638 B13R1.348 CN(CC(=O)[O-])CC1CCOCC1 34a_100025706683_100020667443 [0,1,0,0,0,1|1,0,1]=4 5639 B13R1.348 CN(CC(=O)[O-])CC1CCSCC1 269982a_100011935259_100020667443 [0,1,0,0,0,1|1,0,1]=4 5640 B13R1.348 CN(CC(=O)[O-])CC1CCSCC1 34a_100011935259_100020667443 [0,1,0,0,0,1|1,0,1]=4 5641 B13R1.348 CN(CC1CCCCC1)C[N+](=O)[O-] 269982a_100000736448_100000761209 [0,1,0,0,0,1|1,0,1]=4 5642 B13R1.348 CN(CC1CCCCC1)C[N+](=O)[O-] 34a_100000736448_100000761209 [0,1,0,0,0,1|1,0,1]=4 5643 B13R1.348 C[C@@H](O)CC(=O)CC1CCCCC1 1458a_100011933948_100000211423 [0,1,0,0,0,1|1,0,1]=4 5644 B13R1.348 C[C@@H](O)CN(C)CC1CCCCC1 2230a_100000736448_100009817552 [0,1,0,0,0,1|1,0,1]=4 5645 B13R1.348 C[C@@H](O)CN(C)CC1CCCCC1 269982a_100000736448_100009817552 [0,1,0,0,0,1|1,0,1]=4 5646 B13R1.348 C[C@@H](O)CN(C)CC1CCCCC1 34a_100000736448_100009817552 [0,1,0,0,0,1|1,0,1]=4 5647 B13R1.348 NC(=O)CC(=O)CC1CCCCC1 1458a_100000211666_100000187820 [0,1,0,0,0,1|1,0,0]=3 5648 B13R1.348 NC(=O)CC(=O)CC1CCCCC1 1458a_100134613110_100000211423 [0,1,0,0,0,1|1,0,0]=3 5649 B13R1.348 NC(=O)CC(=O)CC1CCCCO1 1458a_100000238585_100000187820 [0,1,0,0,0,1|2,0,0]=4 5650 B13R1.348 NC(=O)CC(=O)CC1CCCCO1 1458a_100134613110_100000211543 [0,1,0,0,0,1|2,0,0]=4 5651 B13R1.348 NC(=O)CC(=O)CC1CCCOC1 1458a_100000741523_100000187820 [0,1,0,0,0,1|2,0,0]=4 5652 B13R1.348 NC(=O)CC(=O)CC1CCCOC1 1458a_100134613110_100000741521 [0,1,0,0,0,1|2,0,0]=4 5653 B13R1.348 NC(=O)CC(=O)CC1CCOCC1 1458a_100000757261_100000187820 [0,1,0,0,0,1|2,0,0]=4 5654 B13R1.348 NC(=O)CC(=O)CC1CCOCC1 1458a_100134613110_100000754603 [0,1,0,0,0,1|2,0,0]=4 5655 B13R1.348 NC(=O)CC(=O)CN1CCCCC1 1458a_100000740322_100000187820 [0,1,0,0,0,1|2,0,0]=4 5656 B13R1.348 NC(=O)CC(=O)NC1CCCCC1 240690a_100000182618_100134613110 [0,1,0,0,0,1|1,0,1]=4 5657 B13R1.348 NC(=O)CC(=O)NC1CCCCC1 527a_100000182618_100134613110 [0,1,0,0,0,1|1,0,1]=4 5658 B13R1.348 O=C(CC1CCCCC1)C[N+](=O)[O-] 1458a_100000211666_100000761209 [0,1,0,0,0,1|1,0,1]=4 5659 B13R1.348 O=C([O-])CC(=O)CC1CCCCC1 1458a_100000211666_100020667443 [0,1,0,0,0,1|0,0,1]=3 5660 B13R1.348 O=C([O-])CC(=O)CC1CCCCO1 1458a_100000238585_100020667443 [0,1,0,0,0,1|1,0,1]=4 5661 B13R1.348 O=C([O-])CC(=O)CC1CCCOC1 1458a_100000741523_100020667443 [0,1,0,0,0,1|1,0,1]=4 5662 B13R1.348 O=C([O-])CC(=O)CC1CCOCC1 1458a_100000757261_100020667443 [0,1,0,0,0,1|1,0,1]=4 5663 B13R1.348 O=C([O-])CC(=O)CN1CCCCC1 1458a_100000740322_100020667443 [0,1,0,0,0,1|1,0,1]=4 5664 B13R1.351 C=C(C)C(=O)CCC1CCCCC1 1458a_100000185857_100011273959 [0,1,0,0,0,1|2,0,0]=4 5665 B13R1.351 C=C(C)C(C)NCC1CCCCC1 269862a_100000210473_100011216138 [0,1,0,0,0,1|2,0,0]=4 5666 B13R1.351 CC(=O)C(=O)CNC1CCCCC1 34a_100000182618_100011261029 [0,1,0,0,0,1|1,0,1]=4 5667 B13R1.351 CC(=O)C(=O)COC1CCCCC1 34a_100000210231_100011261029 [0,1,0,0,0,1|1,0,1]=4 5668 B13R1.351 CC(=O)C(=O)CSC1CCCCC1 62a_100000210327_100011261029 [0,1,0,0,0,1|1,0,1]=4 5669 B13R1.351 CC(=O)C(=O)CSC1CCCCC1 62a_100011261029_100000210327 [0,1,0,0,0,1|1,0,1]=4 5670 B13R1.351 CC(=O)C(C)COC1CCCCC1 34a_100000032740_100000210327 [0,1,0,0,0,1|1,0,0]=3 5671 B13R1.351 CC(=O)C(C)COC1CCCCC1 7a_100000032740_100000210327 [0,1,0,0,0,1|1,0,0]=3 5672 B13R1.351 CC(=O)C(C)COC1CCCOC1 34a_100000032740_100000693364 [0,1,0,0,0,1|2,0,0]=4 5673 B13R1.351 CC(=O)C(C)COC1CCCOC1 7a_100000032740_100000693364 [0,1,0,0,0,1|2,0,0]=4 5674 B13R1.351 CC(=O)C(C)COC1CCOCC1 7a_100000032740_100000686592 [0,1,0,0,0,1|2,0,0]=4 5675 B13R1.351 CC(=O)C(C)COC1CCSCC1 34a_100000032740_100000069128 [0,1,0,0,0,1|2,0,0]=4 5676 B13R1.351 CC(=O)C(C)COC1CCSCC1 7a_100000032740_100011500858 [0,1,0,0,0,1|2,0,0]=4 5677 B13R1.351 CC(=O)C(C)NCC1CCCCC1 2230a_100000210473_100009814033 [0,1,0,0,0,1|1,0,0]=3 5678 B13R1.351 CC(=O)C(C)NCC1CCCCO1 2230a_100000174945_100009814033 [0,1,0,0,0,1|2,0,0]=4 5679 B13R1.351 CC(=O)C(C)NCC1CCCOC1 2230a_100000720124_100009814033 [0,1,0,0,0,1|2,0,0]=4 5680 B13R1.351 CC(=O)C(C)NCC1CCOCC1 2230a_100000746373_100009814033 [0,1,0,0,0,1|2,0,0]=4 5681 B13R1.351 CC(=O)C(C)NCC1CCSCC1 2230a_100015188806_100009814033 [0,1,0,0,0,1|2,0,0]=4 5682 B13R1.351 CC(=O)C(C)OCC1CCCCC1 34a_100000212229_100000211423 [0,1,0,0,0,1|1,0,0]=3 5683 B13R1.351 CC(=O)C(C)OCC1CCCCC1 7a_100000212181_100000179758 [0,1,0,0,0,1|1,0,0]=3 5684 B13R1.351 CC(=O)C(C)OCC1CCCCO1 34a_100000212229_100000211543 [0,1,0,0,0,1|2,0,0]=4 5685 B13R1.351 CC(=O)C(C)OCC1CCCCO1 7a_100000211370_100000179758 [0,1,0,0,0,1|2,0,0]=4 5686 B13R1.351 CC(=O)C(C)OCC1CCCOC1 34a_100000212229_100000741521 [0,1,0,0,0,1|2,0,0]=4 5687 B13R1.351 CC(=O)C(C)OCC1CCOCC1 34a_100000212229_100000754603 [0,1,0,0,0,1|2,0,0]=4 5688 B13R1.351 CC(=O)C(C)OCC1CCSCC1 7a_100000070558_100000179758 [0,1,0,0,0,1|2,0,0]=4 5689 B13R1.351 CC(=O)C(C)SCC1CCCCC1 62a_100000211423_100009814033 [0,1,0,0,0,1|1,0,0]=3 5690 B13R1.351 CC(=O)C(C)SCC1CCCCC1 62a_100009814033_100000211423 [0,1,0,0,0,1|1,0,0]=3 5691 B13R1.351 CC(=O)C(C)SCC1CCCCO1 62a_100000211543_100009814033 [0,1,0,0,0,1|2,0,0]=4 5692 B13R1.351 CC(=O)C(C)SCC1CCCCO1 62a_100009814033_100000211543 [0,1,0,0,0,1|2,0,0]=4 5693 B13R1.351 CC(=O)C(C)SCC1CCCOC1 62a_100000741521_100009814033 [0,1,0,0,0,1|2,0,0]=4 5694 B13R1.351 CC(=O)C(C)SCC1CCCOC1 62a_100009814033_100000741521 [0,1,0,0,0,1|2,0,0]=4 5695 B13R1.351 CC(=O)C(C)SCC1CCOCC1 62a_100000754603_100009814033 [0,1,0,0,0,1|2,0,0]=4 5696 B13R1.351 CC(=O)C(C)SCC1CCOCC1 62a_100009814033_100000749018 [0,1,0,0,0,1|2,0,0]=4 5697 B13R1.351 CC(=O)N(C)CCC1CCCCO1 11a_100015183322_100015343762 [0,1,0,0,0,1|2,0,0]=4 5698 B13R1.351 CC(=O)N(C)CCC1CCCCO1 1626a_100015183322_100015343762 [0,1,0,0,0,1|2,0,0]=4 5699 B13R1.351 CC(=O)N(C)CCC1CCCCO1 240690a_100015183322_100015343762 [0,1,0,0,0,1|2,0,0]=4 5700 B13R1.351 CC(=O)N(C)CCC1CCCCO1 527a_100015183322_100103153847 [0,1,0,0,0,1|2,0,0]=4 5701 B13R1.351 CC(CNC1C=CCCC1)C(=O)O 269956a_100000749485_100000751183 [0,1,0,0,0,1|0,0,2]=4 5702 B13R1.351 CC(CNC1CCCCC1)C(=O)O 269956a_100000749485_100000210327 [0,1,0,0,0,1|0,0,0]=2 5703 B13R1.351 CC(CNC1CCCOC1)C(=O)O 269956a_100000749485_100000693364 [0,1,0,0,0,1|1,0,0]=3 5704 B13R1.351 CC(CNC1CCOCC1)C(=O)O 269956a_100000749485_100011324220 [0,1,0,0,0,1|1,0,0]=3 5705 B13R1.351 CC(CNC1CCSCC1)C(=O)O 269956a_100000749485_100000069128 [0,1,0,0,0,1|1,0,0]=3 5706 B13R1.351 CC(COC1CCCCC1)[N+](=O)[O-] 34a_100000039676_100000210327 [0,1,0,0,0,1|1,0,1]=4 5707 B13R1.351 CC(COC1CCCCC1)[N+](=O)[O-] 7a_100000039676_100000210327 [0,1,0,0,0,1|1,0,1]=4 5708 B13R1.351 CC(NCC1CCCCC1)C(=O)N 2230a_100000210473_100000702099 [0,1,0,0,0,1|1,0,0]=3 5709 B13R1.351 CC(NCC1CCCCC1)C(=O)N 34a_100000210473_100000702099 [0,1,0,0,0,1|1,0,0]=3 5710 B13R1.351 CC(NCC1CCCCO1)C(=O)N 2230a_100000174945_100000702099 [0,1,0,0,0,1|2,0,0]=4 5711 B13R1.351 CC(NCC1CCCCO1)C(=O)N 34a_100000174945_100000702099 [0,1,0,0,0,1|2,0,0]=4 5712 B13R1.351 CC(NCC1CCCOC1)C(=O)N 2230a_100000720124_100000702099 [0,1,0,0,0,1|2,0,0]=4 5713 B13R1.351 CC(NCC1CCCOC1)C(=O)N 34a_100000720124_100000702099 [0,1,0,0,0,1|2,0,0]=4 5714 B13R1.351 CC(NCC1CCOCC1)C(=O)N 2230a_100000746373_100000702099 [0,1,0,0,0,1|2,0,0]=4 5715 B13R1.351 CC(NCC1CCOCC1)C(=O)N 34a_100000746373_100000702099 [0,1,0,0,0,1|2,0,0]=4 5716 B13R1.351 CC(NCC1CCSCC1)C(=O)N 2230a_100015188806_100000702099 [0,1,0,0,0,1|2,0,0]=4 5717 B13R1.351 CC(NCC1CCSCC1)C(=O)N 34a_100015188806_100000702099 [0,1,0,0,0,1|2,0,0]=4 5718 B13R1.351 CC(OCC1CCCCC1)C(=O)N 34a_100000212181_100000702099 [0,1,0,0,0,1|1,0,0]=3 5719 B13R1.351 CC(OCC1CCCCC1)C(=O)N 7a_100000212181_100000702099 [0,1,0,0,0,1|1,0,0]=3 5720 B13R1.351 CC(OCC1CCCCN1)C(=O)N 34a_100000210821_100000702099 [0,1,0,0,0,1|2,0,0]=4 5721 B13R1.351 CC(OCC1CCCCO1)C(=O)N 34a_100000211370_100000702099 [0,1,0,0,0,1|2,0,0]=4 5722 B13R1.351 CC(OCC1CCCCO1)C(=O)N 7a_100000211370_100000702099 [0,1,0,0,0,1|2,0,0]=4 5723 B13R1.351 CC(OCC1CCCNC1)C(=O)N 34a_100000211344_100000702099 [0,1,0,0,0,1|2,0,0]=4 5724 B13R1.351 CC(OCC1CCCOC1)C(=O)N 34a_100000741520_100000702099 [0,1,0,0,0,1|2,0,0]=4 5725 B13R1.351 CC(OCC1CCNCC1)C(=O)N 34a_100000738675_100000702099 [0,1,0,0,0,1|2,0,0]=4 5726 B13R1.351 CC(OCC1CCOCC1)C(=O)N 34a_100000749013_100000702099 [0,1,0,0,0,1|2,0,0]=4 5727 B13R1.351 CC(OCC1CCSCC1)C(=O)N 34a_100000070558_100000702099 [0,1,0,0,0,1|2,0,0]=4 5728 B13R1.351 CC(OCC1CCSCC1)C(=O)N 7a_100000070558_100000702099 [0,1,0,0,0,1|2,0,0]=4 5729 B13R1.351 CC(SCC1CCCCC1)C(=O)N 62a_100000211423_100000702099 [0,1,0,0,0,1|1,0,0]=3 5730 B13R1.351 CC(SCC1CCCCC1)C(=O)N 62a_100000702099_100000211423 [0,1,0,0,0,1|1,0,0]=3 5731 B13R1.351 CC(SCC1CCCCO1)C(=O)N 62a_100000211543_100000702099 [0,1,0,0,0,1|2,0,0]=4 5732 B13R1.351 CC(SCC1CCCCO1)C(=O)N 62a_100000702099_100000211543 [0,1,0,0,0,1|2,0,0]=4 5733 B13R1.351 CC(SCC1CCCOC1)C(=O)N 62a_100000702099_100000741521 [0,1,0,0,0,1|2,0,0]=4 5734 B13R1.351 CC(SCC1CCCOC1)C(=O)N 62a_100000741521_100000702099 [0,1,0,0,0,1|2,0,0]=4 5735 B13R1.351 CC(SCC1CCOCC1)C(=O)N 62a_100000702099_100000749018 [0,1,0,0,0,1|2,0,0]=4 5736 B13R1.351 CC(SCC1CCOCC1)C(=O)N 62a_100000754603_100000702099 [0,1,0,0,0,1|2,0,0]=4 5737 B13R1.351 C[C@@H](NCC1CCCCC1)C(=O)N 2230a_100000119354_100000211423 [0,1,0,0,0,1|1,0,0]=3 5738 B13R1.351 C[C@@H](NCC1CCCCC1)C(=O)N 34a_100000119354_100000211423 [0,1,0,0,0,1|1,0,0]=3 5739 B13R1.351 C[C@@H](NCC1CCCCO1)C(=O)N 2230a_100000119354_100000211543 [0,1,0,0,0,1|2,0,0]=4 5740 B13R1.351 C[C@@H](NCC1CCCCO1)C(=O)N 34a_100000119354_100000211543 [0,1,0,0,0,1|2,0,0]=4 5741 B13R1.351 C[C@@H](NCC1CCCOC1)C(=O)N 2230a_100000119354_100000741521 [0,1,0,0,0,1|2,0,0]=4 5742 B13R1.351 C[C@@H](NCC1CCCOC1)C(=O)N 34a_100000119354_100000741521 [0,1,0,0,0,1|2,0,0]=4 5743 B13R1.351 C[C@@H](NCC1CCOCC1)C(=O)N 2230a_100000119354_100000754603 [0,1,0,0,0,1|2,0,0]=4 5744 B13R1.351 C[C@@H](NCC1CCOCC1)C(=O)N 34a_100000119354_100000754603 [0,1,0,0,0,1|2,0,0]=4 5745 B13R1.351 C[C@@H](NCC1CCSCC1)C(=O)N 270004a_100000119354_100000067145 [0,1,0,0,0,1|2,0,0]=4 5746 B13R1.351 C[C@@H](O)C(=O)CCC1CCCCC1 1458a_100000717761_100011273959 [0,1,0,0,0,1|1,0,1]=4 5747 B13R1.351 C[C@@H](OCC1CCCCC1)C(=O)N 34a_100000731257_100000211423 [0,1,0,0,0,1|1,0,0]=3 5748 B13R1.351 C[C@@H](OCC1CCCCC1)C(=O)N 7a_100000731257_100000211423 [0,1,0,0,0,1|1,0,0]=3 5749 B13R1.351 C[C@@H](OCC1CCCCO1)C(=O)N 34a_100000731257_100000211543 [0,1,0,0,0,1|2,0,0]=4 5750 B13R1.351 C[C@@H](OCC1CCCCO1)C(=O)N 7a_100000731257_100000211543 [0,1,0,0,0,1|2,0,0]=4 5751 B13R1.351 C[C@@H](OCC1CCCOC1)C(=O)N 34a_100000731257_100000741521 [0,1,0,0,0,1|2,0,0]=4 5752 B13R1.351 C[C@@H](OCC1CCCOC1)C(=O)N 7a_100000731257_100000741521 [0,1,0,0,0,1|2,0,0]=4 5753 B13R1.351 C[C@@H](OCC1CCOCC1)C(=O)N 34a_100000731257_100000754603 [0,1,0,0,0,1|2,0,0]=4 5754 B13R1.351 C[C@@H](OCC1CCOCC1)C(=O)N 7a_100000731257_100000754603 [0,1,0,0,0,1|2,0,0]=4 5755 B13R1.351 C[C@H](NCC1CCCCC1)C(=O)O 269956a_100000743915_100000211423 [0,1,0,0,0,1|0,0,0]=2 5756 B13R1.351 C[C@H](NCC1CCCCO1)C(=O)O 269956a_100000743915_100000211543 [0,1,0,0,0,1|1,0,0]=3 5757 B13R1.351 C[C@H](NCC1CCCOC1)C(=O)O 269956a_100000743915_100000741521 [0,1,0,0,0,1|1,0,0]=3 5758 B13R1.351 C[C@H](NCC1CCOCC1)C(=O)O 269956a_100000743915_100000754603 [0,1,0,0,0,1|1,0,0]=3 5759 B13R1.351 C[C@H](O)C(=O)CCC1CCCCC1 1458a_217856618621_100011273959 [0,1,0,0,0,1|1,0,1]=4 5760 B13R1.351 C[C@H](OCC1CCCCC1)C(=O)[O-] 7a_217856618621_100000211423 [0,1,0,0,0,1|0,0,1]=3 5761 B13R1.351 C[C@H](OCC1CCCCO1)C(=O)[O-] 7a_217856618621_100000211543 [0,1,0,0,0,1|1,0,1]=4 5762 B13R1.351 C[C@H](OCC1CCCOC1)C(=O)[O-] 7a_217856618621_100000741521 [0,1,0,0,0,1|1,0,1]=4 5763 B13R1.351 C[C@H](OCC1CCOCC1)C(=O)[O-] 7a_217856618621_100000754603 [0,1,0,0,0,1|1,0,1]=4 5764 B13R1.351 NC(=O)C(=O)NCC1CCCCC1 240690a_100000210473_100011215815 [0,1,0,0,0,1|1,0,1]=4 5765 B13R1.351 NC(=O)C(F)NCC1CCCCC1 2230a_100000210473_100009813875 [0,1,0,0,0,1|1,0,0]=3 5766 B13R1.351 NC(=O)C(F)NCC1CCCCC1 34a_100000210473_100009813875 [0,1,0,0,0,1|1,0,0]=3 5767 B13R1.351 NC(=O)C(F)NCC1CCCCO1 2230a_100000174945_100009813875 [0,1,0,0,0,1|2,0,0]=4 5768 B13R1.351 NC(=O)C(F)NCC1CCCCO1 34a_100000174945_100009813875 [0,1,0,0,0,1|2,0,0]=4 5769 B13R1.351 NC(=O)C(F)NCC1CCCOC1 2230a_100000720124_100009813875 [0,1,0,0,0,1|2,0,0]=4 5770 B13R1.351 NC(=O)C(F)NCC1CCCOC1 34a_100000720124_100009813875 [0,1,0,0,0,1|2,0,0]=4 5771 B13R1.351 NC(=O)C(F)NCC1CCOCC1 2230a_100000746373_100009813875 [0,1,0,0,0,1|2,0,0]=4 5772 B13R1.351 NC(=O)C(F)NCC1CCOCC1 34a_100000746373_100009813875 [0,1,0,0,0,1|2,0,0]=4 5773 B13R1.351 NC(=O)C(F)NCC1CCSCC1 2230a_100015188806_100009813875 [0,1,0,0,0,1|2,0,0]=4 5774 B13R1.351 NC(=O)C(F)NCC1CCSCC1 34a_100015188806_100009813875 [0,1,0,0,0,1|2,0,0]=4 5775 B13R1.351 NC(=O)C(F)OCC1CCCCC1 34a_100000212181_100009813875 [0,1,0,0,0,1|1,0,0]=3 5776 B13R1.351 NC(=O)C(F)OCC1CCCCC1 7a_100000212181_100009813875 [0,1,0,0,0,1|1,0,0]=3 5777 B13R1.351 NC(=O)C(F)OCC1CCCCN1 34a_100000210821_100009813875 [0,1,0,0,0,1|2,0,0]=4 5778 B13R1.351 NC(=O)C(F)OCC1CCCCO1 34a_100000211370_100009813875 [0,1,0,0,0,1|2,0,0]=4 5779 B13R1.351 NC(=O)C(F)OCC1CCCCO1 7a_100000211370_100009813875 [0,1,0,0,0,1|2,0,0]=4 5780 B13R1.351 NC(=O)C(F)OCC1CCCNC1 34a_100000211344_100009813875 [0,1,0,0,0,1|2,0,0]=4 5781 B13R1.351 NC(=O)C(F)OCC1CCCOC1 34a_100000741520_100009813875 [0,1,0,0,0,1|2,0,0]=4 5782 B13R1.351 NC(=O)C(F)OCC1CCNCC1 34a_100000738675_100009813875 [0,1,0,0,0,1|2,0,0]=4 5783 B13R1.351 NC(=O)C(F)OCC1CCOCC1 34a_100000749013_100009813875 [0,1,0,0,0,1|2,0,0]=4 5784 B13R1.351 NC(=O)C(F)OCC1CCSCC1 34a_100000070558_100009813875 [0,1,0,0,0,1|2,0,0]=4 5785 B13R1.351 NC(=O)C(F)OCC1CCSCC1 7a_100000070558_100009813875 [0,1,0,0,0,1|2,0,0]=4 5786 B13R1.351 NC(=O)C(F)SCC1CCCCC1 62a_100000211423_100009813875 [0,1,0,0,0,1|1,0,0]=3 5787 B13R1.351 NC(=O)C(F)SCC1CCCCC1 62a_100009813875_100000211423 [0,1,0,0,0,1|1,0,0]=3 5788 B13R1.351 NC(=O)C(F)SCC1CCCCO1 62a_100000211543_100009813875 [0,1,0,0,0,1|2,0,0]=4 5789 B13R1.351 NC(=O)C(F)SCC1CCCCO1 62a_100009813875_100000211543 [0,1,0,0,0,1|2,0,0]=4 5790 B13R1.351 NC(=O)C(F)SCC1CCCOC1 62a_100000741521_100009813875 [0,1,0,0,0,1|2,0,0]=4 5791 B13R1.351 NC(=O)C(F)SCC1CCCOC1 62a_100009813875_100000741521 [0,1,0,0,0,1|2,0,0]=4 5792 B13R1.351 NC(=O)C(F)SCC1CCOCC1 62a_100000754603_100009813875 [0,1,0,0,0,1|2,0,0]=4 5793 B13R1.351 NC(=O)C(F)SCC1CCOCC1 62a_100009813875_100000749018 [0,1,0,0,0,1|2,0,0]=4 5794 B13R1.351 NC(=O)[C@@H](N)COC1CCCCC1 34a_100000729942_100000210327 [0,1,0,0,0,1|1,0,0]=3 5795 B13R1.351 NC(=O)[C@@H](N)COC1CCCOC1 34a_100000729942_100000693364 [0,1,0,0,0,1|2,0,0]=4 5796 B13R1.351 NC(=O)[C@@H](N)COC1CCSCC1 34a_100000729942_100000069128 [0,1,0,0,0,1|2,0,0]=4 5797 B13R1.351 O=C(CCC1CCCCC1)C(O)O 1458a_100000233687_100011273959 [0,1,0,0,0,1|0,0,2]=4 5798 B13R1.351 O=C(O)C(F)CNC1C=CCCC1 269956a_100000084737_100000751183 [0,1,0,0,0,1|0,0,2]=4 5799 B13R1.351 O=C(O)C(F)CNC1CCCCC1 269956a_100000084737_100000210327 [0,1,0,0,0,1|0,0,0]=2 5800 B13R1.351 O=C(O)C(F)CNC1CCCOC1 269956a_100000084737_100000693364 [0,1,0,0,0,1|1,0,0]=3 5801 B13R1.351 O=C(O)C(F)CNC1CCOCC1 269956a_100000084737_100011324220 [0,1,0,0,0,1|1,0,0]=3 5802 B13R1.351 O=C(O)C(F)CNC1CCSCC1 269956a_100000084737_100000069128 [0,1,0,0,0,1|1,0,0]=3 5803 B13R1.351 O=C([O-])C(F)NCC1CCCCC1 34a_100000210473_100020610796 [0,1,0,0,0,1|0,0,1]=3 5804 B13R1.351 O=C([O-])C(F)NCC1CCCCO1 34a_100000174945_100020610796 [0,1,0,0,0,1|1,0,1]=4 5805 B13R1.351 O=C([O-])C(F)NCC1CCCOC1 34a_100000720124_100020610796 [0,1,0,0,0,1|1,0,1]=4 5806 B13R1.351 O=C([O-])C(F)NCC1CCOCC1 34a_100000746373_100020610796 [0,1,0,0,0,1|1,0,1]=4 5807 B13R1.351 O=C([O-])C(F)NCC1CCSCC1 34a_100015188806_100020610796 [0,1,0,0,0,1|1,0,1]=4 5808 B13R1.351 O=C([O-])C(F)OCC1CCCCC1 34a_100000212181_100020610796 [0,1,0,0,0,1|0,0,1]=3 5809 B13R1.351 O=C([O-])C(F)OCC1CCCCN1 34a_100000210821_100020610796 [0,1,0,0,0,1|1,0,1]=4 5810 B13R1.351 O=C([O-])C(F)OCC1CCCCO1 34a_100000211370_100020610796 [0,1,0,0,0,1|1,0,1]=4 5811 B13R1.351 O=C([O-])C(F)OCC1CCCNC1 34a_100000211344_100020610796 [0,1,0,0,0,1|1,0,1]=4 5812 B13R1.351 O=C([O-])C(F)OCC1CCCOC1 34a_100000741520_100020610796 [0,1,0,0,0,1|1,0,1]=4 5813 B13R1.351 O=C([O-])C(F)OCC1CCNCC1 34a_100000738675_100020610796 [0,1,0,0,0,1|1,0,1]=4 5814 B13R1.351 O=C([O-])C(F)OCC1CCOCC1 34a_100000749013_100020610796 [0,1,0,0,0,1|1,0,1]=4 5815 B13R1.351 O=C([O-])C(F)OCC1CCSCC1 34a_100000070558_100020610796 [0,1,0,0,0,1|1,0,1]=4 5816 B13R1.351 O=C([O-])C(F)SCC1CCCCC1 62a_100000211423_100020610796 [0,1,0,0,0,1|0,0,1]=3 5817 B13R1.351 O=C([O-])C(F)SCC1CCCCC1 62a_100020610796_100000211423 [0,1,0,0,0,1|0,0,1]=3 5818 B13R1.351 O=C([O-])C(F)SCC1CCCCO1 62a_100000211543_100020610796 [0,1,0,0,0,1|1,0,1]=4 5819 B13R1.351 O=C([O-])C(F)SCC1CCCCO1 62a_100020610796_100000211543 [0,1,0,0,0,1|1,0,1]=4 5820 B13R1.351 O=C([O-])C(F)SCC1CCCOC1 62a_100000741521_100020610796 [0,1,0,0,0,1|1,0,1]=4 5821 B13R1.351 O=C([O-])C(F)SCC1CCCOC1 62a_100020610796_100000741521 [0,1,0,0,0,1|1,0,1]=4 5822 B13R1.351 O=C([O-])C(F)SCC1CCOCC1 62a_100000754603_100020610796 [0,1,0,0,0,1|1,0,1]=4 5823 B13R1.351 O=C([O-])C(F)SCC1CCOCC1 62a_100020610796_100000749018 [0,1,0,0,0,1|1,0,1]=4 5824 B13R1.513 C=C(Br)CCOC1CCC(CC1)C 34a_100009813270_200011216234 [0,1,0,0,0,1|2,0,0]=4 5825 B13R1.513 C=C(C)CCN[C@H]1CC[C@@H](CC1)C 2230a_100020625639_100000730704 [0,1,0,0,0,1|2,0,0]=4 5826 B13R1.513 C=C(C)CCN[C@H]1CC[C@@H](CC1)C 34a_100020625639_100000730704 [0,1,0,0,0,1|2,0,0]=4 5827 B13R1.513 C=C(C)CCOC1CCC(CC1)C 34a_100000210714_100000730704 [0,1,0,0,0,1|2,0,0]=4 5828 B13R1.513 C=C(C)CCOC1CCC(CC1)C 34a_100000764851_200011216234 [0,1,0,0,0,1|2,0,0]=4 5829 B13R1.513 C=C(C)CCOC1CCC(CC1)C 7a_100000210714_100000730704 [0,1,0,0,0,1|2,0,0]=4 5830 B13R1.513 C=C(C)CCO[C@H]1CC[C@H](CC1)N 34a_100020628982_100000730704 [0,1,0,0,0,1|2,0,0]=4 5831 B13R1.513 C=C(C)CCSC1CCC(CC1)C 62a_100000730704_200011216234 [0,1,0,0,0,1|2,0,0]=4 5832 B13R1.513 C=C(C)CNCC1CCC(CC1)C 2230a_103436935547_100000748629 [0,1,0,0,0,1|2,0,0]=4 5833 B13R1.513 C=C(C)CNCC1CCC(CC1)C 34a_103436935547_100000748629 [0,1,0,0,0,1|2,0,0]=4 5834 B13R1.513 C=C(C)COCC1CCC(CC1)C 34a_100000701341_100000748629 [0,1,0,0,0,1|2,0,0]=4 5835 B13R1.513 C=C(C)COC[C@H]1CC[C@@H](CC1)N 34a_100009821084_100000748629 [0,1,0,0,0,1|2,0,0]=4 5836 B13R1.513 C=C(F)CNCC1CCC(CC1)C 2230a_103436935547_100009893438 [0,1,0,0,0,1|2,0,0]=4 5837 B13R1.513 C=C(F)CNCC1CCC(CC1)C 34a_103436935547_100009893438 [0,1,0,0,0,1|2,0,0]=4 5838 B13R1.513 C=C(F)COCC1CCC(CC1)C 34a_100000701341_100009893438 [0,1,0,0,0,1|2,0,0]=4 5839 B13R1.513 C=C(F)COC[C@H]1CC[C@@H](CC1)N 34a_100009821084_100009893438 [0,1,0,0,0,1|2,0,0]=4 5840 B13R1.513 C=C1CCC(CC1)COCC(=O)N 34a_100000074039_100000187820 [0,1,0,0,0,1|1,0,1]=4 5841 B13R1.513 C=C1CCC(CC1)COCC(=O)[O-] 34a_100000074039_100020667443 [0,1,0,0,0,1|0,0,2]=4 5842 B13R1.513 CC(=O)CCCN1CCC(CC1)C 269982a_100000188429_100011215641 [0,1,0,0,0,1|2,0,0]=4 5843 B13R1.513 CC(=O)CCCN1CCC(CC1)C 34a_100000188429_100000685027 [0,1,0,0,0,1|2,0,0]=4 5844 B13R1.513 CC(=O)CCCN1CCC(CC1)F 269982a_100015193889_100011215641 [0,1,0,0,0,1|2,0,0]=4 5845 B13R1.513 CC(=O)CCCN1CCC(CC1)F 34a_100015193889_100000685027 [0,1,0,0,0,1|2,0,0]=4 5846 B13R1.513 CC(=O)CCCN1CCC(CC1)O 269982a_100025773856_100011215641 [0,1,0,0,0,1|2,0,0]=4 5847 B13R1.513 CC(=O)CCOC1CCC(=O)CC1 7a_100000764474_100000053229 [0,1,0,0,0,1|1,0,1]=4 5848 B13R1.513 CC(=O)CCOC1CCC(CC1)C 34a_100000759926_200011216234 [0,1,0,0,0,1|1,0,0]=3 5849 B13R1.513 CC(=O)CCOC1CCC(CC1)C 7a_100000210714_100000053229 [0,1,0,0,0,1|1,0,0]=3 5850 B13R1.513 CC(=O)CCSC1CCC(CC1)C 62a_100000053229_200011216234 [0,1,0,0,0,1|1,0,0]=3 5851 B13R1.513 CC(=O)CCSC1CCN(CC1)C 62a_100000053229_100011215917 [0,1,0,0,0,1|2,0,0]=4 5852 B13R1.513 CC(=O)NCCC1CCC(CC1)O 1626a_200011935226_100015343762 [0,1,0,0,0,1|1,0,0]=3 5853 B13R1.513 CC(=O)NCCC1CCC(CC1)O 240690a_200011935226_100015343762 [0,1,0,0,0,1|1,0,0]=3 5854 B13R1.513 CC(=O)NCCC1CCC(CC1)O 527a_200011935226_100103153847 [0,1,0,0,0,1|1,0,0]=3 5855 B13R1.513 CC(=O)NCCC1CCN(CC1)C 1626a_100000748683_100015343762 [0,1,0,0,0,1|2,0,0]=4 5856 B13R1.513 CC(=O)NCCC1CCN(CC1)C 2230a_100011370063_200000210301 [0,1,0,0,0,1|2,0,0]=4 5857 B13R1.513 CC(=O)NCCC1CCN(CC1)C 240690a_100000748683_100015343762 [0,1,0,0,0,1|2,0,0]=4 5858 B13R1.513 CC(=O)NCCC1CCN(CC1)C 269982a_100011370063_200000210301 [0,1,0,0,0,1|2,0,0]=4 5859 B13R1.513 CC(=O)NCCC1CCN(CC1)C 34a_100011370063_200000210301 [0,1,0,0,0,1|2,0,0]=4 5860 B13R1.513 CC(=O)NCCC1CCN(CC1)C 527a_100000748683_100103153847 [0,1,0,0,0,1|2,0,0]=4 5861 B13R1.513 CC(=O)NCCC1CCN(CC1)[13CH3] 2230a_100011370063_200025704644 [0,1,0,0,0,1|2,0,0]=4 5862 B13R1.513 CC(=O)NCCC1CCN(CC1)[13CH3] 269982a_100011370063_200025704644 [0,1,0,0,0,1|2,0,0]=4 5863 B13R1.513 CC(=O)NCCC1CCN(CC1)[13CH3] 34a_100011370063_200025704644 [0,1,0,0,0,1|2,0,0]=4 5864 B13R1.513 CC(=O)NCCN1CCC(CC1)C 2230a_100000188429_100000189650 [0,1,0,0,0,1|2,0,0]=4 5865 B13R1.513 CC(=O)NCCN1CCC(CC1)C 240690a_100000739677_100015343762 [0,1,0,0,0,1|2,0,0]=4 5866 B13R1.513 CC(=O)NCCN1CCC(CC1)C 269982a_100000188429_100000189650 [0,1,0,0,0,1|2,0,0]=4 5867 B13R1.513 CC(=O)NCCN1CCC(CC1)C 527a_100000739677_100103153847 [0,1,0,0,0,1|2,0,0]=4 5868 B13R1.513 CC(=O)NCCN1CCC(CC1)F 2230a_100015193889_100000189650 [0,1,0,0,0,1|2,0,0]=4 5869 B13R1.513 CC(=O)NCCN1CCC(CC1)F 269982a_100015193889_100000189650 [0,1,0,0,0,1|2,0,0]=4 5870 B13R1.513 CC(=O)NCCN1CCC(CC1)O 2230a_100025773856_100000189650 [0,1,0,0,0,1|2,0,0]=4 5871 B13R1.513 CC(=O)NCCN1CCC(CC1)O 240690a_100020666255_100015343762 [0,1,0,0,0,1|2,0,0]=4 5872 B13R1.513 CC(=O)NCCN1CCC(CC1)O 269982a_100025773856_100000189650 [0,1,0,0,0,1|2,0,0]=4 5873 B13R1.513 CC(=O)NCCN1CCC(CC1)O 527a_100020666255_100103153847 [0,1,0,0,0,1|2,0,0]=4 5874 B13R1.513 CC(=O)OCCN1CCC(CC1)C 269982a_100000188429_100009814007 [0,1,0,0,0,1|2,0,0]=4 5875 B13R1.513 CC(=O)OCCN1CCC(CC1)C 34a_100000188429_100009814007 [0,1,0,0,0,1|2,0,0]=4 5876 B13R1.513 CC(=O)OCCN1CCC(CC1)F 269982a_100015193889_100009814007 [0,1,0,0,0,1|2,0,0]=4 5877 B13R1.513 CC(=O)OCCN1CCC(CC1)F 34a_100015193889_100009814007 [0,1,0,0,0,1|2,0,0]=4 5878 B13R1.513 CC(=O)OCCN1CCC(CC1)O 269982a_100025773856_100009814007 [0,1,0,0,0,1|2,0,0]=4 5879 B13R1.513 CC(=O)OCN[C@H]1CC[C@@H](CC1)C 34a_100020625639_100009813279 [0,1,0,0,0,1|2,0,0]=4 5880 B13R1.513 CC(=O)OCOC1CCC(CC1)C 34a_100000210714_100009813279 [0,1,0,0,0,1|2,0,0]=4 5881 B13R1.513 CC(=O)OCO[C@H]1CC[C@H](CC1)N 34a_100020628982_100009813279 [0,1,0,0,0,1|2,0,0]=4 5882 B13R1.513 CC(=O)OCSC1CCC(CC1)C 62a_100000076356_200011216234 [0,1,0,0,0,1|2,0,0]=4 5883 B13R1.513 CC(O)CCNC1CCC(CC1)C 270004a_200000755665_100000185489 [0,1,0,0,0,1|1,0,1]=4 5884 B13R1.513 CC(O)CCNC1CCC(CC1)O 270004a_200000755665_100000764474 [0,1,0,0,0,1|1,0,1]=4 5885 B13R1.513 CC(O)CCN[C@H]1CC[C@@H](CC1)C 2230a_100020625639_100012276601 [0,1,0,0,0,1|1,0,1]=4 5886 B13R1.513 CC(O)CCN[C@H]1CC[C@@H](CC1)C 34a_100020625639_100012276601 [0,1,0,0,0,1|1,0,1]=4 5887 B13R1.513 CC(O)CCOC1CCC(CC1)C 34a_100000210714_100012276601 [0,1,0,0,0,1|1,0,1]=4 5888 B13R1.513 CC(O)CCOC1CCC(CC1)C 7a_100000210714_100012276601 [0,1,0,0,0,1|1,0,1]=4 5889 B13R1.513 CC(O)CCO[C@H]1CC[C@H](CC1)N 34a_100020628982_100012276601 [0,1,0,0,0,1|1,0,1]=4 5890 B13R1.513 CC(O)CCSC1CCC(CC1)C 62a_100012276601_200011216234 [0,1,0,0,0,1|1,0,1]=4 5891 B13R1.513 CC(O)CNCC1CCC(CC1)C 2230a_103436935547_100011218427 [0,1,0,0,0,1|1,0,1]=4 5892 B13R1.513 CC(O)CNCC1CCC(CC1)C 34a_103436935547_100011218427 [0,1,0,0,0,1|1,0,1]=4 5893 B13R1.513 CC(O)COCC1CCC(CC1)C 34a_100000701341_100011218427 [0,1,0,0,0,1|1,0,1]=4 5894 B13R1.513 CC(O)COC[C@H]1CC[C@@H](CC1)N 34a_100009821084_100011218427 [0,1,0,0,0,1|1,0,1]=4 5895 B13R1.513 CC1CCC(CC1)CNCC(=O)N 2230a_103436935547_100000747473 [0,1,0,0,0,1|1,0,0]=3 5896 B13R1.513 CC1CCC(CC1)CNCC(=O)N 34a_103436935547_100000187820 [0,1,0,0,0,1|1,0,0]=3 5897 B13R1.513 CC1CCC(CC1)CNCC(=O)[O-] 34a_103436935547_100020667443 [0,1,0,0,0,1|0,0,1]=3 5898 B13R1.513 CC1CCC(CC1)CNC[C@@H](C)O 2230a_103436935547_100009817552 [0,1,0,0,0,1|1,0,1]=4 5899 B13R1.513 CC1CCC(CC1)CNC[C@@H](C)O 34a_103436935547_100009817552 [0,1,0,0,0,1|1,0,1]=4 5900 B13R1.513 CC1CCC(CC1)CNC[N+](=O)[O-] 34a_103436935547_100000761209 [0,1,0,0,0,1|1,0,1]=4 5901 B13R1.513 CC1CCC(CC1)COCC(=O)N 34a_100000701341_100000187820 [0,1,0,0,0,1|1,0,0]=3 5902 B13R1.513 CC1CCC(CC1)COCC(=O)[O-] 34a_100000701341_100020667443 [0,1,0,0,0,1|0,0,1]=3 5903 B13R1.513 CC1CCC(CC1)COC[C@@H](C)O 34a_100000701341_100009817552 [0,1,0,0,0,1|1,0,1]=4 5904 B13R1.513 CC1CCC(CC1)COC[N+](=O)[O-] 34a_100000701341_100000761209 [0,1,0,0,0,1|1,0,1]=4 5905 B13R1.513 CC1CCC(CC1)NOCC(=O)O 269956a_100000106656_200011216234 [0,1,0,0,0,1|1,0,0]=3 5906 B13R1.513 CC1CCC(CC1)OCCC(=O)N 34a_100000210714_100000731001 [0,1,0,0,0,1|1,0,0]=3 5907 B13R1.513 CC1CCC(CC1)OCCC(=O)N 34a_100000757172_200011216234 [0,1,0,0,0,1|1,0,0]=3 5908 B13R1.513 CC1CCC(CC1)OCCC(=O)N 7a_100000210714_100000744528 [0,1,0,0,0,1|1,0,0]=3 5909 B13R1.513 CC1CCC(CC1)SCCC(=O)N 62a_100000744528_200011216234 [0,1,0,0,0,1|1,0,0]=3 5910 B13R1.513 CC1CCN(CC1)CCCC(=O)N 269982a_100000188429_100102525003 [0,1,0,0,0,1|2,0,0]=4 5911 B13R1.513 CC1CCN(CC1)CCCC(=O)N 34a_100000188429_100102525003 [0,1,0,0,0,1|2,0,0]=4 5912 B13R1.513 CC1CCN(CC1)CCNC(=O)N 2230a_100000188429_200000034859 [0,1,0,0,0,1|2,0,0]=4 5913 B13R1.513 CC1CCN(CC1)CCNC(=O)N 269982a_100000188429_200000034859 [0,1,0,0,0,1|2,0,0]=4 5914 B13R1.513 CC1CCN(CC1)CCOC(=O)N 269982a_100000188429_200011214921 [0,1,0,0,0,1|2,0,0]=4 5915 B13R1.513 CC1CCN(CC1)CCOC(=O)N 34a_100000188429_200011214921 [0,1,0,0,0,1|2,0,0]=4 5916 B13R1.513 CN1CCC(CC1)CNCC(=O)O 269956a_100016091260_100015183002 [0,1,0,0,0,1|1,0,0]=3 5917 B13R1.513 CN1CCC(CC1)CSCC(=O)N 62a_100000747473_100015183002 [0,1,0,0,0,1|2,0,0]=4 5918 B13R1.513 CN1CCC(CC1)CSCC(=O)N 62a_100015183002_100000747473 [0,1,0,0,0,1|2,0,0]=4 5919 B13R1.513 CN1CCC(CC1)CSCC(=O)[O-] 62a_100015183002_100020667443 [0,1,0,0,0,1|1,0,1]=4 5920 B13R1.513 CN1CCC(CC1)CSCC(=O)[O-] 62a_100020667443_100015183002 [0,1,0,0,0,1|1,0,1]=4 5921 B13R1.513 CN1CCC(CC1)NOCC(=O)O 269956a_100000106656_100011215917 [0,1,0,0,0,1|2,0,0]=4 5922 B13R1.513 CN1CCC(CC1)SCCC(=O)N 62a_100000744528_100011215917 [0,1,0,0,0,1|2,0,0]=4 5923 B13R1.513 C[C@@H](O)COC[C@H]1CC[C@@H](CC1)N 34a_100009821084_100009817552 [0,1,0,0,0,1|1,0,1]=4 5924 B13R1.513 C[C@H]1CC[C@@H](CC1)NCCC(=O)N 2230a_100020625639_100000744528 [0,1,0,0,0,1|1,0,0]=3 5925 B13R1.513 C[C@H]1CC[C@@H](CC1)NCCC(=O)N 34a_100020625639_100000731001 [0,1,0,0,0,1|1,0,0]=3 5926 B13R1.513 NC(=O)CCCN1CCC(CC1)F 269982a_100015193889_100102525003 [0,1,0,0,0,1|2,0,0]=4 5927 B13R1.513 NC(=O)CCCN1CCC(CC1)F 34a_100015193889_100102525003 [0,1,0,0,0,1|2,0,0]=4 5928 B13R1.513 NC(=O)CCCN1CCC(CC1)O 269982a_100025773856_100102525003 [0,1,0,0,0,1|2,0,0]=4 5929 B13R1.513 NC(=O)CCOC1CCC(=O)CC1 34a_100000764474_100000731001 [0,1,0,0,0,1|1,0,1]=4 5930 B13R1.513 NC(=O)CCOC1CCC(=O)CC1 7a_100000764474_100000744528 [0,1,0,0,0,1|1,0,1]=4 5931 B13R1.513 NC(=O)CCO[C@H]1CC[C@H](CC1)N 34a_100020628982_100000731001 [0,1,0,0,0,1|1,0,0]=3 5932 B13R1.513 NC(=O)COCC1CCC(=O)CC1 34a_100000062911_100000187820 [0,1,0,0,0,1|1,0,1]=4 5933 B13R1.513 NC(=O)COC[C@H]1CC[C@@H](CC1)N 34a_100009821084_100000187820 [0,1,0,0,0,1|1,0,0]=3 5934 B13R1.513 NC(=O)NCCN1CCC(CC1)F 2230a_100015193889_200000034859 [0,1,0,0,0,1|2,0,0]=4 5935 B13R1.513 NC(=O)NCCN1CCC(CC1)F 269982a_100015193889_200000034859 [0,1,0,0,0,1|2,0,0]=4 5936 B13R1.513 NC(=O)NCCN1CCC(CC1)O 2230a_100025773856_200000034859 [0,1,0,0,0,1|2,0,0]=4 5937 B13R1.513 NC(=O)NCCN1CCC(CC1)O 269982a_100025773856_200000034859 [0,1,0,0,0,1|2,0,0]=4 5938 B13R1.513 NC(=O)OCCN1CCC(CC1)F 269982a_100015193889_200011214921 [0,1,0,0,0,1|2,0,0]=4 5939 B13R1.513 NC(=O)OCCN1CCC(CC1)F 34a_100015193889_200011214921 [0,1,0,0,0,1|2,0,0]=4 5940 B13R1.513 NC(=O)OCCN1CCC(CC1)O 269982a_100025773856_200011214921 [0,1,0,0,0,1|2,0,0]=4 5941 B13R1.513 N[C@H]1CC[C@@H](CC1)COCC(=O)[O-] 34a_100009821084_100020667443 [0,1,0,0,0,1|0,0,1]=3 5942 B13R1.513 N[C@H]1CC[C@@H](CC1)COC[N+](=O)[O-] 34a_100009821084_100000761209 [0,1,0,0,0,1|1,0,1]=4 5943 B13R1.513 O=C([O-])COCC1CCC(=O)CC1 34a_100000062911_100020667443 [0,1,0,0,0,1|0,0,2]=4 5944 B13R1.718 C#CC(=O)CCCC1CCCCC1 1458a_100000211873_100011713725 [0,1,0,0,0,1|1,0,0]=3 5945 B13R1.718 C#CC(=O)CCCN1CCCCC1 1458a_100000211873_100000690320 [0,1,0,0,0,1|2,0,0]=4 5946 B13R1.718 C#CC(=O)CCOC1CCCCC1 1458a_100000211873_100011211530 [0,1,0,0,0,1|1,0,0]=3 5947 B13R1.718 C#CC(=O)CCOC1CCCCO1 1458a_100000211873_100000744793 [0,1,0,0,0,1|2,0,0]=4 5948 B13R1.718 C=C(C#N)CNCC1CCCCC1 2230a_100000210473_100000694840 [0,1,0,0,0,1|2,0,0]=4 5949 B13R1.718 C=C(C#N)CNCC1CCCCC1 34a_100000210473_100000694840 [0,1,0,0,0,1|2,0,0]=4 5950 B13R1.718 C=C(C#N)COCC1CCCCC1 34a_100000212181_100000694840 [0,1,0,0,0,1|2,0,0]=4 5951 B13R1.718 C=C(C#N)CSCC1CCCCC1 62a_100000211423_100000694840 [0,1,0,0,0,1|2,0,0]=4 5952 B13R1.718 C=CC(=O)CCCC1CCCCC1 1458a_100000185746_100011713725 [0,1,0,0,0,1|1,0,0]=3 5953 B13R1.718 C=CC(=O)CCCN1CCCCC1 1458a_100000185746_100000690320 [0,1,0,0,0,1|2,0,0]=4 5954 B13R1.718 C=CC(=O)CCOC1CCCCC1 1458a_100000185746_100011211530 [0,1,0,0,0,1|1,0,0]=3 5955 B13R1.718 C=CC(=O)CCOC1CCCCO1 1458a_100000185746_100000744793 [0,1,0,0,0,1|2,0,0]=4 5956 B13R1.718 C=CC(=O)NCCC1CCCCC1 1626a_100000738074_100000185746 [0,1,0,0,0,1|1,0,0]=3 5957 B13R1.718 C=CC(=O)NCCC1CCCCC1 240690a_100000738074_200121576911 [0,1,0,0,0,1|1,0,0]=3 5958 B13R1.718 C=CC(=O)NCCC1CCCCO1 1626a_100015183643_100000185746 [0,1,0,0,0,1|2,0,0]=4 5959 B13R1.718 C=CC(=O)NCCC1CCCCO1 240690a_100015183643_200121576911 [0,1,0,0,0,1|2,0,0]=4 5960 B13R1.718 C=CC(=O)NCCC1CCOCC1 1626a_100000755988_100000185746 [0,1,0,0,0,1|2,0,0]=4 5961 B13R1.718 C=CC(=O)NCCC1CCOCC1 240690a_100000755988_200121576911 [0,1,0,0,0,1|2,0,0]=4 5962 B13R1.718 C=CC(=O)NCCN1CCCCC1 240690a_100000216509_200121576911 [0,1,0,0,0,1|2,0,0]=4 5963 B13R1.718 C=CC(=O)NNCC1CCCCC1 22a_100000740227_100000185746 [0,1,0,0,0,1|2,0,0]=4 5964 B13R1.718 C=CC(O)CNCC1CCCCC1 2230a_100000210473_100000730141 [0,1,0,0,0,1|1,0,1]=4 5965 B13R1.718 C=CC(O)CNCC1CCCCC1 34a_100000210473_100000730141 [0,1,0,0,0,1|1,0,1]=4 5966 B13R1.718 C=CC(O)COCC1CCCCC1 34a_100000212181_100000730141 [0,1,0,0,0,1|1,0,1]=4 5967 B13R1.718 C=CC(O)COCC1CCCCC1 7a_100000212181_100000730141 [0,1,0,0,0,1|1,0,1]=4 5968 B13R1.718 C=CC(O)CSCC1CCCCC1 62a_100000211423_100000730141 [0,1,0,0,0,1|1,0,1]=4 5969 B13R1.718 C=CC(O)CSCC1CCCCC1 62a_100000730141_100000211423 [0,1,0,0,0,1|1,0,1]=4 5970 B13R1.718 CC(=NNCC1CCCCC1)CO 4a_100000740227_100000211253 [0,1,0,0,0,1|2,0,0]=4 5971 B13R1.718 CC(CO)CCNC1CCCCC1 270004a_106354213184_100000210434 [0,1,0,0,0,1|1,0,1]=4 5972 B13R1.718 CC(CO)CCNC1CCCCC1 34a_106354213184_100000210327 [0,1,0,0,0,1|1,0,1]=4 5973 B13R1.718 CC(CO)CNCC1CCCCC1 269862a_100000744482_100000211278 [0,1,0,0,0,1|1,0,1]=4 5974 B13R1.718 CC(CO)CNCC1CCCCC1 34a_100000744482_100000211423 [0,1,0,0,0,1|1,0,1]=4 5975 B13R1.718 CC(CO)NCCC1CCCCC1 2230a_100000738074_100012180447 [0,1,0,0,0,1|1,0,1]=4 5976 B13R1.718 CC(CO)NCCC1CCCCC1 34a_100000738074_100012180447 [0,1,0,0,0,1|1,0,1]=4 5977 B13R1.718 CC(CO)OCCC1CCCCC1 34a_100011217863_100012180447 [0,1,0,0,0,1|1,0,1]=4 5978 B13R1.718 CC(CO)OCCC1CCCCC1 7a_100011217863_100012180447 [0,1,0,0,0,1|1,0,1]=4 5979 B13R1.718 CC(CO)SCCC1CCCCC1 62a_100012180447_100012355289 [0,1,0,0,0,1|1,0,1]=4 5980 B13R1.718 CCC(=O)CCCC1CCCCC1 1458a_100000210414_100011713725 [0,1,0,0,0,1|1,0,0]=3 5981 B13R1.718 CCC(=O)CCCC1CCCCC1 1458a_100000211478_100000210202 [0,1,0,0,0,1|1,0,0]=3 5982 B13R1.718 CCC(=O)CCCN1CCCCC1 1458a_100000210414_100000690320 [0,1,0,0,0,1|2,0,0]=4 5983 B13R1.718 CCC(=O)CCCN1CCCCC1 1458a_100000742516_100000210202 [0,1,0,0,0,1|2,0,0]=4 5984 B13R1.718 CCC(=O)CCOC1CCCCC1 1458a_100000210414_100011211530 [0,1,0,0,0,1|1,0,0]=3 5985 B13R1.718 CCC(=O)CCOC1CCCCO1 1458a_100000210414_100000744793 [0,1,0,0,0,1|2,0,0]=4 5986 B13R1.718 CCC(=O)COCC1CCCCC1 34a_100000725409_100000211423 [0,1,0,0,0,1|1,0,0]=3 5987 B13R1.718 CCC(=O)COCC1CCCCC1 7a_100000212181_100000747405 [0,1,0,0,0,1|1,0,0]=3 5988 B13R1.718 CCC(=O)COCC1CCCCO1 1458a_100011223378_100000210202 [0,1,0,0,0,1|2,0,0]=4 5989 B13R1.718 CCC(=O)COCC1CCCCO1 34a_100000725409_100000211543 [0,1,0,0,0,1|2,0,0]=4 5990 B13R1.718 CCC(=O)COCC1CCCCO1 7a_100000211370_100000747405 [0,1,0,0,0,1|2,0,0]=4 5991 B13R1.718 CCC(=O)COCC1CCCOC1 34a_100000725409_100000741521 [0,1,0,0,0,1|2,0,0]=4 5992 B13R1.718 CCC(=O)COCC1CCOCC1 34a_100000725409_100000754603 [0,1,0,0,0,1|2,0,0]=4 5993 B13R1.718 CCC(=O)COCC1CCSCC1 7a_100000070558_100000747405 [0,1,0,0,0,1|2,0,0]=4 5994 B13R1.718 CCC(=O)CSCC1CCCCC1 62a_100000211423_100000747405 [0,1,0,0,0,1|1,0,0]=3 5995 B13R1.718 CCC(=O)CSCC1CCCCC1 62a_100000747405_100000211423 [0,1,0,0,0,1|1,0,0]=3 5996 B13R1.718 CCC(=O)CSCC1CCCCO1 62a_100000211543_100000747405 [0,1,0,0,0,1|2,0,0]=4 5997 B13R1.718 CCC(=O)CSCC1CCCCO1 62a_100000747405_100000211543 [0,1,0,0,0,1|2,0,0]=4 5998 B13R1.718 CCC(=O)CSCC1CCCOC1 62a_100000741521_100000747405 [0,1,0,0,0,1|2,0,0]=4 5999 B13R1.718 CCC(=O)CSCC1CCCOC1 62a_100000747405_100000741521 [0,1,0,0,0,1|2,0,0]=4 6000 B13R1.718 CCC(=O)CSCC1CCOCC1 62a_100000747405_100000749018 [0,1,0,0,0,1|2,0,0]=4 6001 B13R1.718 CCC(=O)CSCC1CCOCC1 62a_100000754603_100000747405 [0,1,0,0,0,1|2,0,0]=4 6002 B13R1.718 CCC(=O)NCCC1CCCCC1 11a_100000738074_100000210414 [0,1,0,0,0,1|1,0,0]=3 6003 B13R1.718 CCC(=O)NCCC1CCCCC1 1626a_100000738074_100000210414 [0,1,0,0,0,1|1,0,0]=3 6004 B13R1.718 CCC(=O)NCCC1CCCCC1 240690a_100000738074_100000210414 [0,1,0,0,0,1|1,0,0]=3 6005 B13R1.718 CCC(=O)NCCC1CCCCC1 527a_100000738074_100000210414 [0,1,0,0,0,1|1,0,0]=3 6006 B13R1.718 CCC(=O)NCCC1CCCCO1 11a_100015183643_100000210414 [0,1,0,0,0,1|2,0,0]=4 6007 B13R1.718 CCC(=O)NCCC1CCCCO1 1626a_100015183643_100000210414 [0,1,0,0,0,1|2,0,0]=4 6008 B13R1.718 CCC(=O)NCCC1CCCCO1 240690a_100015183643_100000210414 [0,1,0,0,0,1|2,0,0]=4 6009 B13R1.718 CCC(=O)NCCC1CCCCO1 527a_100015183643_100000210414 [0,1,0,0,0,1|2,0,0]=4 6010 B13R1.718 CCC(=O)NCCC1CCOCC1 11a_100000755988_100000210414 [0,1,0,0,0,1|2,0,0]=4 6011 B13R1.718 CCC(=O)NCCC1CCOCC1 1626a_100000755988_100000210414 [0,1,0,0,0,1|2,0,0]=4 6012 B13R1.718 CCC(=O)NCCC1CCOCC1 240690a_100000755988_100000210414 [0,1,0,0,0,1|2,0,0]=4 6013 B13R1.718 CCC(=O)NCCC1CCOCC1 527a_100000755988_100000210414 [0,1,0,0,0,1|2,0,0]=4 6014 B13R1.718 CCC(=O)NCCN1CCCCC1 240690a_100000216509_100000210414 [0,1,0,0,0,1|2,0,0]=4 6015 B13R1.718 CCC(=O)NCCN1CCCCC1 527a_100000216509_100000210414 [0,1,0,0,0,1|2,0,0]=4 6016 B13R1.718 CCC(=O)NNCC1CCCCC1 22a_100000740227_100000210414 [0,1,0,0,0,1|2,0,0]=4 6017 B13R1.718 CCC(O)CNCC1CCCCC1 2230a_100000210473_100011218378 [0,1,0,0,0,1|1,0,1]=4 6018 B13R1.718 CCC(O)CNCC1CCCCC1 2230a_100011218483_100000211423 [0,1,0,0,0,1|1,0,1]=4 6019 B13R1.718 CCC(O)CNCC1CCCCC1 269862a_100011218483_100000211278 [0,1,0,0,0,1|1,0,1]=4 6020 B13R1.718 CCC(O)CNCC1CCCCC1 34a_100000210473_100011218378 [0,1,0,0,0,1|1,0,1]=4 6021 B13R1.718 CCC(O)COCC1CCCCC1 34a_100000212181_100011218378 [0,1,0,0,0,1|1,0,1]=4 6022 B13R1.718 CCC(O)COCC1CCCCC1 7a_100000212181_100011218378 [0,1,0,0,0,1|1,0,1]=4 6023 B13R1.718 CCC(O)CSCC1CCCCC1 62a_100000211423_100011218378 [0,1,0,0,0,1|1,0,1]=4 6024 B13R1.718 CCC(O)CSCC1CCCCC1 62a_100011218378_100000211423 [0,1,0,0,0,1|1,0,1]=4 6025 B13R1.718 CNC(=O)CCCC1CCCCC1 11a_106832991635_100000211478 [0,1,0,0,0,1|1,0,0]=3 6026 B13R1.718 CNC(=O)CCCC1CCCCC1 1626a_100102657272_100000211478 [0,1,0,0,0,1|1,0,0]=3 6027 B13R1.718 CNC(=O)CCCC1CCCCC1 240690a_100102657272_100000211478 [0,1,0,0,0,1|1,0,0]=3 6028 B13R1.718 CNC(=O)CCCC1CCCCC1 527a_100102657272_100000211478 [0,1,0,0,0,1|1,0,0]=3 6029 B13R1.718 CNC(=O)CCCN1CCCCC1 240690a_100102657272_100000742516 [0,1,0,0,0,1|2,0,0]=4 6030 B13R1.718 CNC(=O)CCNC1CCCCC1 2230a_100000182618_100000737683 [0,1,0,0,0,1|1,0,0]=3 6031 B13R1.718 CNC(=O)CCNC1CCCCC1 270004a_100000738227_100000210434 [0,1,0,0,0,1|1,0,0]=3 6032 B13R1.718 CNC(=O)CCNC1CCCCC1 34a_100000182618_100012179268 [0,1,0,0,0,1|1,0,0]=3 6033 B13R1.718 CNC(=O)CCNC1CCCCC1 34a_100000738227_100000210327 [0,1,0,0,0,1|1,0,0]=3 6034 B13R1.718 CNC(=O)CCNC1CCCOC1 2230a_100000719290_100000737683 [0,1,0,0,0,1|2,0,0]=4 6035 B13R1.718 CNC(=O)CCNC1CCCOC1 270004a_100000738227_100000753404 [0,1,0,0,0,1|2,0,0]=4 6036 B13R1.718 CNC(=O)CCNC1CCCOC1 34a_100000719290_100012179268 [0,1,0,0,0,1|2,0,0]=4 6037 B13R1.718 CNC(=O)CCNC1CCCOC1 34a_100000738227_100000693364 [0,1,0,0,0,1|2,0,0]=4 6038 B13R1.718 CNC(=O)CCNC1CCCSC1 270004a_100000738227_100000057913 [0,1,0,0,0,1|2,0,0]=4 6039 B13R1.718 CNC(=O)CCNC1CCNCC1 270004a_100000738227_100015192401 [0,1,0,0,0,1|2,0,0]=4 6040 B13R1.718 CNC(=O)CCNC1CCOCC1 2230a_100000741149_100000737683 [0,1,0,0,0,1|2,0,0]=4 6041 B13R1.718 CNC(=O)CCNC1CCOCC1 270004a_100000738227_100011217826 [0,1,0,0,0,1|2,0,0]=4 6042 B13R1.718 CNC(=O)CCNC1CCOCC1 34a_100000741149_100012179268 [0,1,0,0,0,1|2,0,0]=4 6043 B13R1.718 CNC(=O)CCNC1CCSCC1 2230a_100000748639_100000737683 [0,1,0,0,0,1|2,0,0]=4 6044 B13R1.718 CNC(=O)CCNC1CCSCC1 270004a_100000738227_100000203788 [0,1,0,0,0,1|2,0,0]=4 6045 B13R1.718 CNC(=O)CCNC1CCSCC1 34a_100000738227_100000069128 [0,1,0,0,0,1|2,0,0]=4 6046 B13R1.718 CNC(=O)CCNC1CCSCC1 34a_100000748639_100012179268 [0,1,0,0,0,1|2,0,0]=4 6047 B13R1.718 CNC(=O)CCOC1CCCCC1 34a_100000210231_100012179268 [0,1,0,0,0,1|1,0,0]=3 6048 B13R1.718 CNC(=O)CCOC1CCCCC1 34a_100000754576_100000210327 [0,1,0,0,0,1|1,0,0]=3 6049 B13R1.718 CNC(=O)CCOC1CCCCC1 7a_100000210231_100000737683 [0,1,0,0,0,1|1,0,0]=3 6050 B13R1.718 CNC(=O)CCOC1CCCCO1 34a_100000033831_100012179268 [0,1,0,0,0,1|2,0,0]=4 6051 B13R1.718 CNC(=O)CCOC1CCCOC1 34a_100000754041_100012179268 [0,1,0,0,0,1|2,0,0]=4 6052 B13R1.718 CNC(=O)CCOC1CCCOC1 34a_100000754576_100000693364 [0,1,0,0,0,1|2,0,0]=4 6053 B13R1.718 CNC(=O)CCOC1CCCSC1 7a_100015962668_100000737683 [0,1,0,0,0,1|2,0,0]=4 6054 B13R1.718 CNC(=O)CCOC1CCOCC1 34a_100000744328_100012179268 [0,1,0,0,0,1|2,0,0]=4 6055 B13R1.718 CNC(=O)CCOC1CCSCC1 34a_100000731022_100012179268 [0,1,0,0,0,1|2,0,0]=4 6056 B13R1.718 CNC(=O)CCOC1CCSCC1 34a_100000754576_100000069128 [0,1,0,0,0,1|2,0,0]=4 6057 B13R1.718 CNC(=O)CCOC1CCSCC1 7a_100000731022_100000737683 [0,1,0,0,0,1|2,0,0]=4 6058 B13R1.718 CNC(=O)CCSC1CCCCC1 62a_100000210327_100000737683 [0,1,0,0,0,1|1,0,0]=3 6059 B13R1.718 CNC(=O)CCSC1CCCCC1 62a_100000737683_100000210327 [0,1,0,0,0,1|1,0,0]=3 6060 B13R1.718 CNC(=O)CCSC1CCCOC1 62a_100000737683_100000693364 [0,1,0,0,0,1|2,0,0]=4 6061 B13R1.718 CNC(=O)CCSC1CCOCC1 62a_100000737683_100011324220 [0,1,0,0,0,1|2,0,0]=4 6062 B13R1.718 CNC(=O)CCSC1CCSCC1 62a_100000737683_100000069128 [0,1,0,0,0,1|2,0,0]=4 6063 B13R1.718 CNC(=O)CNCC1CCCCC1 2230a_100000210473_100000183359 [0,1,0,0,0,1|1,0,0]=3 6064 B13R1.718 CNC(=O)CNCC1CCCCC1 2230a_100000693194_100000211423 [0,1,0,0,0,1|1,0,0]=3 6065 B13R1.718 CNC(=O)CNCC1CCCCC1 269862a_100000693194_100000211278 [0,1,0,0,0,1|1,0,0]=3 6066 B13R1.718 CNC(=O)CNCC1CCCCC1 34a_100000210473_100000183359 [0,1,0,0,0,1|1,0,0]=3 6067 B13R1.718 CNC(=O)CNCC1CCCCO1 2230a_100000174945_100000183359 [0,1,0,0,0,1|2,0,0]=4 6068 B13R1.718 CNC(=O)CNCC1CCCCO1 2230a_100000693194_100000211543 [0,1,0,0,0,1|2,0,0]=4 6069 B13R1.718 CNC(=O)CNCC1CCCCO1 34a_100000174945_100000183359 [0,1,0,0,0,1|2,0,0]=4 6070 B13R1.718 CNC(=O)CNCC1CCCOC1 2230a_100000693194_100000741521 [0,1,0,0,0,1|2,0,0]=4 6071 B13R1.718 CNC(=O)CNCC1CCCOC1 2230a_100000720124_100000183359 [0,1,0,0,0,1|2,0,0]=4 6072 B13R1.718 CNC(=O)CNCC1CCCOC1 34a_100000720124_100000183359 [0,1,0,0,0,1|2,0,0]=4 6073 B13R1.718 CNC(=O)CNCC1CCOCC1 2230a_100000693194_100000754603 [0,1,0,0,0,1|2,0,0]=4 6074 B13R1.718 CNC(=O)CNCC1CCOCC1 2230a_100000746373_100000183359 [0,1,0,0,0,1|2,0,0]=4 6075 B13R1.718 CNC(=O)CNCC1CCOCC1 269862a_100000693194_100000749017 [0,1,0,0,0,1|2,0,0]=4 6076 B13R1.718 CNC(=O)CNCC1CCOCC1 34a_100000746373_100000183359 [0,1,0,0,0,1|2,0,0]=4 6077 B13R1.718 CNC(=O)CNCC1CCSCC1 2230a_100015188806_100000183359 [0,1,0,0,0,1|2,0,0]=4 6078 B13R1.718 CNC(=O)CNCC1CCSCC1 269862a_100000693194_100000067145 [0,1,0,0,0,1|2,0,0]=4 6079 B13R1.718 CNC(=O)CNCC1CCSCC1 270004a_100000693194_100000067145 [0,1,0,0,0,1|2,0,0]=4 6080 B13R1.718 CNC(=O)CNCC1CCSCC1 34a_100015188806_100000183359 [0,1,0,0,0,1|2,0,0]=4 6081 B13R1.718 CNC(=O)COCC1CCCCC1 34a_100000212181_100000183359 [0,1,0,0,0,1|1,0,0]=3 6082 B13R1.718 CNC(=O)COCC1CCCCC1 34a_100000750040_100000211423 [0,1,0,0,0,1|1,0,0]=3 6083 B13R1.718 CNC(=O)COCC1CCCCC1 7a_100000212181_100000183359 [0,1,0,0,0,1|1,0,0]=3 6084 B13R1.718 CNC(=O)COCC1CCCCN1 34a_100000210821_100000183359 [0,1,0,0,0,1|2,0,0]=4 6085 B13R1.718 CNC(=O)COCC1CCCCO1 11a_106832991635_100011223378 [0,1,0,0,0,1|2,0,0]=4 6086 B13R1.718 CNC(=O)COCC1CCCCO1 1626a_100102657272_100011223378 [0,1,0,0,0,1|2,0,0]=4 6087 B13R1.718 CNC(=O)COCC1CCCCO1 240690a_100102657272_100011223378 [0,1,0,0,0,1|2,0,0]=4 6088 B13R1.718 CNC(=O)COCC1CCCCO1 34a_100000211370_100000183359 [0,1,0,0,0,1|2,0,0]=4 6089 B13R1.718 CNC(=O)COCC1CCCCO1 34a_100000750040_100000211543 [0,1,0,0,0,1|2,0,0]=4 6090 B13R1.718 CNC(=O)COCC1CCCCO1 527a_100102657272_100011223378 [0,1,0,0,0,1|2,0,0]=4 6091 B13R1.718 CNC(=O)COCC1CCCCO1 7a_100000211370_100000183359 [0,1,0,0,0,1|2,0,0]=4 6092 B13R1.718 CNC(=O)COCC1CCCNC1 34a_100000211344_100000183359 [0,1,0,0,0,1|2,0,0]=4 6093 B13R1.718 CNC(=O)COCC1CCCOC1 34a_100000741520_100000183359 [0,1,0,0,0,1|2,0,0]=4 6094 B13R1.718 CNC(=O)COCC1CCCOC1 34a_100000750040_100000741521 [0,1,0,0,0,1|2,0,0]=4 6095 B13R1.718 CNC(=O)COCC1CCNCC1 34a_100000738675_100000183359 [0,1,0,0,0,1|2,0,0]=4 6096 B13R1.718 CNC(=O)COCC1CCOCC1 34a_100000749013_100000183359 [0,1,0,0,0,1|2,0,0]=4 6097 B13R1.718 CNC(=O)COCC1CCOCC1 34a_100000750040_100000754603 [0,1,0,0,0,1|2,0,0]=4 6098 B13R1.718 CNC(=O)COCC1CCSCC1 34a_100000070558_100000183359 [0,1,0,0,0,1|2,0,0]=4 6099 B13R1.718 CNC(=O)COCC1CCSCC1 7a_100000070558_100000183359 [0,1,0,0,0,1|2,0,0]=4 6100 B13R1.718 CNC(=O)CSCC1CCCCC1 62a_100000183359_100000211423 [0,1,0,0,0,1|1,0,0]=3 6101 B13R1.718 CNC(=O)CSCC1CCCCC1 62a_100000211423_100000183359 [0,1,0,0,0,1|1,0,0]=3 6102 B13R1.718 CNC(=O)CSCC1CCCCO1 62a_100000183359_100000211543 [0,1,0,0,0,1|2,0,0]=4 6103 B13R1.718 CNC(=O)CSCC1CCCCO1 62a_100000211543_100000183359 [0,1,0,0,0,1|2,0,0]=4 6104 B13R1.718 CNC(=O)CSCC1CCCOC1 62a_100000183359_100000741521 [0,1,0,0,0,1|2,0,0]=4 6105 B13R1.718 CNC(=O)CSCC1CCCOC1 62a_100000741521_100000183359 [0,1,0,0,0,1|2,0,0]=4 6106 B13R1.718 CNC(=O)CSCC1CCOCC1 62a_100000183359_100000749018 [0,1,0,0,0,1|2,0,0]=4 6107 B13R1.718 CNC(=O)CSCC1CCOCC1 62a_100000754603_100000183359 [0,1,0,0,0,1|2,0,0]=4 6108 B13R1.718 CNC(=O)NCCC1CCCCC1 2708a_100000738074_106832991635 [0,1,0,0,0,1|1,0,0]=3 6109 B13R1.718 CNC(=O)NCCC1CCCCC1 2708a_100102657272_100000738074 [0,1,0,0,0,1|1,0,0]=3 6110 B13R1.718 CNC(=O)NCCC1CCCCC1 273464a_100000738074_100102657272 [0,1,0,0,0,1|1,0,0]=3 6111 B13R1.718 CNC(=O)NCCC1CCCCC1 273464a_100102657272_100000738074 [0,1,0,0,0,1|1,0,0]=3 6112 B13R1.718 CNC(=O)NCCC1CCCCC1 512a_100000738074_100102657272 [0,1,0,0,0,1|1,0,0]=3 6113 B13R1.718 CNC(=O)NCCC1CCCCC1 512a_106832991638_100000738074 [0,1,0,0,0,1|1,0,0]=3 6114 B13R1.718 CNC(=O)NCCC1CCCCO1 2708a_100015183643_106832991635 [0,1,0,0,0,1|2,0,0]=4 6115 B13R1.718 CNC(=O)NCCC1CCCCO1 2708a_100102657272_100015183643 [0,1,0,0,0,1|2,0,0]=4 6116 B13R1.718 CNC(=O)NCCC1CCCCO1 273464a_100015183643_100102657272 [0,1,0,0,0,1|2,0,0]=4 6117 B13R1.718 CNC(=O)NCCC1CCCCO1 273464a_100102657272_100015183643 [0,1,0,0,0,1|2,0,0]=4 6118 B13R1.718 CNC(=O)NCCC1CCCCO1 512a_100015183643_100102657272 [0,1,0,0,0,1|2,0,0]=4 6119 B13R1.718 CNC(=O)NCCC1CCCCO1 512a_106832991638_100015183643 [0,1,0,0,0,1|2,0,0]=4 6120 B13R1.718 CNC(=O)NCCC1CCOCC1 2708a_100000755988_106832991635 [0,1,0,0,0,1|2,0,0]=4 6121 B13R1.718 CNC(=O)NCCC1CCOCC1 2708a_100102657272_100000755988 [0,1,0,0,0,1|2,0,0]=4 6122 B13R1.718 CNC(=O)NCCC1CCOCC1 273464a_100000755988_100102657272 [0,1,0,0,0,1|2,0,0]=4 6123 B13R1.718 CNC(=O)NCCC1CCOCC1 273464a_100102657272_100000755988 [0,1,0,0,0,1|2,0,0]=4 6124 B13R1.718 CNC(=O)NCCC1CCOCC1 512a_100000755988_100102657272 [0,1,0,0,0,1|2,0,0]=4 6125 B13R1.718 CNC(=O)NCCC1CCOCC1 512a_106832991638_100000755988 [0,1,0,0,0,1|2,0,0]=4 6126 B13R1.718 CNC(=O)NCCN1CCCCC1 2708a_100102657272_100000216509 [0,1,0,0,0,1|2,0,0]=4 6127 B13R1.718 CNC(=O)NCCN1CCCCC1 273464a_100000216509_100102657272 [0,1,0,0,0,1|2,0,0]=4 6128 B13R1.718 CNC(=O)NCCN1CCCCC1 273464a_100102657272_100000216509 [0,1,0,0,0,1|2,0,0]=4 6129 B13R1.718 CNC(=O)NNCC1CCCCC1 273464a_100102657272_100000740227 [0,1,0,0,0,1|2,0,0]=4 6130 B13R1.718 CNC(=O)NNCC1CCCCC1 512a_106832991638_100000740227 [0,1,0,0,0,1|2,0,0]=4 6131 B13R1.718 COC(=O)C=NNC1CCCCC1 4a_100000709804_200011823558 [0,1,0,0,0,1|1,0,1]=4 6132 B13R1.718 COC(=O)CCCN1CCCOC1 2230a_100000131196_100011218270 [0,1,0,0,0,1|2,0,0]=4 6133 B13R1.718 COC(=O)CCCN1CCCOC1 269982a_100000131196_100011218270 [0,1,0,0,0,1|2,0,0]=4 6134 B13R1.718 COC(=O)CCCN1CCCOC1 34a_100000131196_100000742333 [0,1,0,0,0,1|2,0,0]=4 6135 B13R1.718 COC(=O)CCCN1CCOCC1 2230a_100015191051_100011218270 [0,1,0,0,0,1|2,0,0]=4 6136 B13R1.718 COC(=O)CCCN1CCOCC1 269982a_100015191051_100011218270 [0,1,0,0,0,1|2,0,0]=4 6137 B13R1.718 COC(=O)CCCN1CCOCC1 34a_100015191051_100000742333 [0,1,0,0,0,1|2,0,0]=4 6138 B13R1.718 COC(=O)CCCN1CCSCC1 2230a_100000737611_100011218270 [0,1,0,0,0,1|2,0,0]=4 6139 B13R1.718 COC(=O)CCCN1CCSCC1 269982a_100000737611_100011218270 [0,1,0,0,0,1|2,0,0]=4 6140 B13R1.718 COC(=O)CCNC1CCCCC1 2230a_100000182618_100000204255 [0,1,0,0,0,1|0,0,0]=2 6141 B13R1.718 COC(=O)CCNC1CCCCC1 34a_100000182618_100000742370 [0,1,0,0,0,1|0,0,0]=2 6142 B13R1.718 COC(=O)CCNC1CCCOC1 2230a_100000719290_100000204255 [0,1,0,0,0,1|1,0,0]=3 6143 B13R1.718 COC(=O)CCNC1CCCOC1 34a_100000719290_100000742370 [0,1,0,0,0,1|1,0,0]=3 6144 B13R1.718 COC(=O)CCNC1CCOCC1 2230a_100000741149_100000204255 [0,1,0,0,0,1|1,0,0]=3 6145 B13R1.718 COC(=O)CCNC1CCOCC1 34a_100000741149_100000742370 [0,1,0,0,0,1|1,0,0]=3 6146 B13R1.718 COC(=O)CCNC1CCSCC1 2230a_100000748639_100000204255 [0,1,0,0,0,1|1,0,0]=3 6147 B13R1.718 COC(=O)CCNC1CCSCC1 34a_100000748639_100000742370 [0,1,0,0,0,1|1,0,0]=3 6148 B13R1.718 COC(=O)CCOC1C=CCCC1 34a_100011215024_100000742370 [0,1,0,0,0,1|0,0,2]=4 6149 B13R1.718 COC(=O)CCOC1CC=CCC1 34a_100000073881_100000742370 [0,1,0,0,0,1|0,0,2]=4 6150 B13R1.718 COC(=O)CCOC1CCCCC1 34a_100000210231_100000742370 [0,1,0,0,0,1|0,0,0]=2 6151 B13R1.718 COC(=O)CCOC1CCCCC1 7a_100000210231_100000204255 [0,1,0,0,0,1|0,0,0]=2 6152 B13R1.718 COC(=O)CCOC1CCCCO1 34a_100000033831_100000742370 [0,1,0,0,0,1|1,0,0]=3 6153 B13R1.718 COC(=O)CCOC1CCCOC1 34a_100000754041_100000742370 [0,1,0,0,0,1|1,0,0]=3 6154 B13R1.718 COC(=O)CCOC1CCCSC1 7a_100015962668_100000204255 [0,1,0,0,0,1|1,0,0]=3 6155 B13R1.718 COC(=O)CCOC1CCOCC1 34a_100000744328_100000742370 [0,1,0,0,0,1|1,0,0]=3 6156 B13R1.718 COC(=O)CCOC1CCSCC1 34a_100000731022_100000742370 [0,1,0,0,0,1|1,0,0]=3 6157 B13R1.718 COC(=O)CCOC1CCSCC1 7a_100000731022_100000204255 [0,1,0,0,0,1|1,0,0]=3 6158 B13R1.718 COC(=O)CCSC1C=CCCC1 62a_100000204255_100000751183 [0,1,0,0,0,1|0,0,2]=4 6159 B13R1.718 COC(=O)CCSC1C=CCCC1 62a_100000751183_100000204255 [0,1,0,0,0,1|0,0,2]=4 6160 B13R1.718 COC(=O)CCSC1CCCCC1 62a_100000204255_100000210327 [0,1,0,0,0,1|0,0,0]=2 6161 B13R1.718 COC(=O)CCSC1CCCCC1 62a_100000210327_100000204255 [0,1,0,0,0,1|0,0,0]=2 6162 B13R1.718 COC(=O)CCSC1CCCOC1 62a_100000204255_100000693364 [0,1,0,0,0,1|1,0,0]=3 6163 B13R1.718 COC(=O)CCSC1CCOCC1 62a_100000204255_100011324220 [0,1,0,0,0,1|1,0,0]=3 6164 B13R1.718 COC(=O)CCSC1CCSCC1 62a_100000204255_100000069128 [0,1,0,0,0,1|1,0,0]=3 6165 B13R1.718 COC(=O)CNCC1CCCCC1 2230a_100000210473_100000747449 [0,1,0,0,0,1|0,0,0]=2 6166 B13R1.718 COC(=O)CNCC1CCCCC1 34a_100000210473_100000747449 [0,1,0,0,0,1|0,0,0]=2 6167 B13R1.718 COC(=O)CNCC1CCCCO1 2230a_100000174945_100000747449 [0,1,0,0,0,1|1,0,0]=3 6168 B13R1.718 COC(=O)CNCC1CCCCO1 34a_100000174945_100000747449 [0,1,0,0,0,1|1,0,0]=3 6169 B13R1.718 COC(=O)CNCC1CCCOC1 2230a_100000720124_100000747449 [0,1,0,0,0,1|1,0,0]=3 6170 B13R1.718 COC(=O)CNCC1CCCOC1 34a_100000720124_100000747449 [0,1,0,0,0,1|1,0,0]=3 6171 B13R1.718 COC(=O)CNCC1CCOCC1 2230a_100000746373_100000747449 [0,1,0,0,0,1|1,0,0]=3 6172 B13R1.718 COC(=O)CNCC1CCOCC1 34a_100000746373_100000747449 [0,1,0,0,0,1|1,0,0]=3 6173 B13R1.718 COC(=O)CNCC1CCSCC1 2230a_100015188806_100000747449 [0,1,0,0,0,1|1,0,0]=3 6174 B13R1.718 COC(=O)CNCC1CCSCC1 34a_100015188806_100000747449 [0,1,0,0,0,1|1,0,0]=3 6175 B13R1.718 COC(=O)CNC[C@H]1COCCO1 2230a_100010981119_100000747449 [0,1,0,0,0,1|2,0,0]=4 6176 B13R1.718 COC(=O)CNC[C@H]1COCCO1 34a_100010981119_100000747449 [0,1,0,0,0,1|2,0,0]=4 6177 B13R1.718 COC(=O)COCC1CC=CCC1 34a_100000210713_100000747449 [0,1,0,0,0,1|0,0,2]=4 6178 B13R1.718 COC(=O)COCC1CCCCC1 34a_100000212181_100000747449 [0,1,0,0,0,1|0,0,0]=2 6179 B13R1.718 COC(=O)COCC1CCCCC1 7a_100000212181_100000747449 [0,1,0,0,0,1|0,0,0]=2 6180 B13R1.718 COC(=O)COCC1CCCCN1 34a_100000210821_100000747449 [0,1,0,0,0,1|1,0,0]=3 6181 B13R1.718 COC(=O)COCC1CCCCO1 34a_100000211370_100000747449 [0,1,0,0,0,1|1,0,0]=3 6182 B13R1.718 COC(=O)COCC1CCCCO1 7a_100000211370_100000747449 [0,1,0,0,0,1|1,0,0]=3 6183 B13R1.718 COC(=O)COCC1CCCNC1 34a_100000211344_100000747449 [0,1,0,0,0,1|1,0,0]=3 6184 B13R1.718 COC(=O)COCC1CCCOC1 34a_100000741520_100000747449 [0,1,0,0,0,1|1,0,0]=3 6185 B13R1.718 COC(=O)COCC1CCNCC1 34a_100000738675_100000747449 [0,1,0,0,0,1|1,0,0]=3 6186 B13R1.718 COC(=O)COCC1CCOCC1 34a_100000749013_100000747449 [0,1,0,0,0,1|1,0,0]=3 6187 B13R1.718 COC(=O)COCC1CCSCC1 34a_100000070558_100000747449 [0,1,0,0,0,1|1,0,0]=3 6188 B13R1.718 COC(=O)COCC1CCSCC1 7a_100000070558_100000747449 [0,1,0,0,0,1|1,0,0]=3 6189 B13R1.718 COC(=O)COC[C@@H]1CNCCO1 34a_100015189573_100000747449 [0,1,0,0,0,1|2,0,0]=4 6190 B13R1.718 COC(=O)COC[C@@H]1COCCN1 34a_100000717676_100000747449 [0,1,0,0,0,1|2,0,0]=4 6191 B13R1.718 COC(=O)COC[C@H]1COCCO1 34a_100009875890_100000747449 [0,1,0,0,0,1|2,0,0]=4 6192 B13R1.718 COC(=O)CSCC1CCCCC1 62a_100000211423_100000747449 [0,1,0,0,0,1|0,0,0]=2 6193 B13R1.718 COC(=O)CSCC1CCCCC1 62a_100000747449_100000211423 [0,1,0,0,0,1|0,0,0]=2 6194 B13R1.718 COC(=O)CSCC1CCCCO1 62a_100000211543_100000747449 [0,1,0,0,0,1|1,0,0]=3 6195 B13R1.718 COC(=O)CSCC1CCCCO1 62a_100000747449_100000211543 [0,1,0,0,0,1|1,0,0]=3 6196 B13R1.718 COC(=O)CSCC1CCCOC1 62a_100000741521_100000747449 [0,1,0,0,0,1|1,0,0]=3 6197 B13R1.718 COC(=O)CSCC1CCCOC1 62a_100000747449_100000741521 [0,1,0,0,0,1|1,0,0]=3 6198 B13R1.718 COC(=O)CSCC1CCOCC1 62a_100000747449_100000749018 [0,1,0,0,0,1|1,0,0]=3 6199 B13R1.718 COC(=O)CSCC1CCOCC1 62a_100000754603_100000747449 [0,1,0,0,0,1|1,0,0]=3 6200 B13R1.718 COC(=O)OCSC1CCCCC1 62a_100000210327_100000139417 [0,1,0,0,0,1|1,0,0]=3 6201 B13R1.718 COC(C)CCOC1CCCCC1 7a_100000764861_100000210327 [0,1,0,0,0,1|1,0,1]=4 6202 B13R1.718 COC(C)COCC1CCCCC1 34a_100000690652_100000211423 [0,1,0,0,0,1|1,0,1]=4 6203 B13R1.718 COC(C)SCCC1CCCCC1 62a_100009879195_100012355289 [0,1,0,0,0,1|1,0,1]=4 6204 B13R1.718 COC(C)SCCC1CCCCC1 62a_100012355289_100009879195 [0,1,0,0,0,1|1,0,1]=4 6205 B13R1.718 CO[C@H](C)CNCC1CCCCC1 2230a_100020591295_100000211423 [0,1,0,0,0,1|1,0,1]=4 6206 B13R1.718 CO[C@H](C)CNCC1CCCCC1 269862a_100020591295_100000211278 [0,1,0,0,0,1|1,0,1]=4 6207 B13R1.718 C[C@@H](CO)CNCC1CCCCC1 2230a_100000210473_100000059175 [0,1,0,0,0,1|1,0,1]=4 6208 B13R1.718 C[C@@H](CO)CNCC1CCCCC1 34a_100000210473_100000059175 [0,1,0,0,0,1|1,0,1]=4 6209 B13R1.718 C[C@@H](CO)COCC1CCCCC1 34a_100000212181_100000059175 [0,1,0,0,0,1|1,0,1]=4 6210 B13R1.718 C[C@@H](CO)COCC1CCCCC1 7a_100000212181_100000059175 [0,1,0,0,0,1|1,0,1]=4 6211 B13R1.718 C[C@@H](CO)CSCC1CCCCC1 62a_100000059175_100000211423 [0,1,0,0,0,1|1,0,1]=4 6212 B13R1.718 C[C@@H](CO)CSCC1CCCCC1 62a_100000211423_100000059175 [0,1,0,0,0,1|1,0,1]=4 6213 B13R1.718 C[C@H](CO)NCCC1CCCCC1 2230a_100000737577_100012355289 [0,1,0,0,0,1|1,0,1]=4 6214 B13R1.718 C[C@H](CO)NCCC1CCCCC1 270004a_100000737577_100011713444 [0,1,0,0,0,1|1,0,1]=4 6215 B13R1.718 C[C@H](CO)SCCC1CCCCC1 62a_100012355289_100016084084 [0,1,0,0,0,1|1,0,1]=4 6216 B13R1.718 C[C@H](CO)SCCC1CCCCC1 62a_100016084084_100012355289 [0,1,0,0,0,1|1,0,1]=4 6217 B13R1.718 NC(=NO)CCOC1CCCCC1 34a_100000749954_100000210327 [0,1,0,0,0,1|1,0,0]=3 6218 B13R1.718 NC(=NO)CCOC1CCCOC1 34a_100000749954_100000693364 [0,1,0,0,0,1|2,0,0]=4 6219 B13R1.718 NC(=NO)CCOC1CCSCC1 34a_100000749954_100000069128 [0,1,0,0,0,1|2,0,0]=4 6220 B13R1.718 O=C(CF)CCCC1CCCCC1 1458a_100000211478_100015361967 [0,1,0,0,0,1|1,0,0]=3 6221 B13R1.718 O=C(CF)CCCN1CCCCC1 1458a_100000742516_100015361967 [0,1,0,0,0,1|2,0,0]=4 6222 B13R1.718 O=C(CF)COCC1CCCCO1 1458a_100011223378_100015361967 [0,1,0,0,0,1|2,0,0]=4 6223 B13R1.718 O=C(CO)CCCC1CCCCC1 1458a_100000210174_100011713725 [0,1,0,0,0,1|0,0,0]=2 6224 B13R1.718 O=C(CO)CCCN1CCCCC1 1458a_100000210174_100000690320 [0,1,0,0,0,1|1,0,0]=3 6225 B13R1.718 O=C(CO)CCCN1CCOCC1 1458a_100000210174_100000748698 [0,1,0,0,0,1|2,0,0]=4 6226 B13R1.718 O=C(CO)CCOC1CCCCC1 1458a_100000210174_100011211530 [0,1,0,0,0,1|0,0,0]=2 6227 B13R1.718 O=C(CO)CCOC1CCCCO1 1458a_100000210174_100000744793 [0,1,0,0,0,1|1,0,0]=3 6228 B13R1.718 O=C(CO)NCCC1=CCCCC1 240690a_100000212019_100000210174 [0,1,0,0,0,1|0,0,2]=4 6229 B13R1.718 O=C(CO)NCCC1=CCCCC1 527a_100000212019_100000210174 [0,1,0,0,0,1|0,0,2]=4 6230 B13R1.718 O=C(CO)NCCC1CCCCC1 240690a_100000738074_100000210174 [0,1,0,0,0,1|0,0,0]=2 6231 B13R1.718 O=C(CO)NCCC1CCCCC1 527a_100000738074_100000210174 [0,1,0,0,0,1|0,0,0]=2 6232 B13R1.718 O=C(CO)NCCC1CCCCO1 240690a_100015183643_100000210174 [0,1,0,0,0,1|1,0,0]=3 6233 B13R1.718 O=C(CO)NCCC1CCCCO1 527a_100015183643_100000210174 [0,1,0,0,0,1|1,0,0]=3 6234 B13R1.718 O=C(CO)NCCC1CCOCC1 240690a_100000755988_100000210174 [0,1,0,0,0,1|1,0,0]=3 6235 B13R1.718 O=C(CO)NCCC1CCOCC1 527a_100000755988_100000210174 [0,1,0,0,0,1|1,0,0]=3 6236 B13R1.718 O=C(CO)NCCN1CCCCC1 240690a_100000216509_100000210174 [0,1,0,0,0,1|1,0,0]=3 6237 B13R1.718 O=C(CO)NCCN1CCCCC1 527a_100000216509_100000210174 [0,1,0,0,0,1|1,0,0]=3 6238 B13R1.718 O=C(CO)NCCN1CCOCC1 240690a_100000211067_100000210174 [0,1,0,0,0,1|2,0,0]=4 6239 B13R1.718 O=C(CO)NCCN1CCOCC1 527a_100000211067_100000210174 [0,1,0,0,0,1|2,0,0]=4 6240 B13R1.718 O=C(CO)NCCN1CCSCC1 240690a_100000755026_100000210174 [0,1,0,0,0,1|2,0,0]=4 6241 B13R1.718 O=C(CO)NCCN1CCSCC1 527a_100000755026_100000210174 [0,1,0,0,0,1|2,0,0]=4 6242 B13R1.718 O=C(CO)NNCC1CCCCC1 22a_100000740227_100000210174 [0,1,0,0,0,1|1,0,0]=3 6243 B13R1.718 O=C(CO)NNCC1CCOCC1 22a_200000757053_100000210174 [0,1,0,0,0,1|2,0,0]=4 6244 B13R1.718 OCC(O)CNCC1CCCCC1 2230a_100000210473_100011219619 [0,1,0,0,0,1|0,0,2]=4 6245 B13R1.718 OCC(O)CNCC1CCCCC1 34a_100000210473_100011219619 [0,1,0,0,0,1|0,0,2]=4 6246 B13R1.718 OCC(O)COCC1CCCCC1 34a_100000212181_100011219619 [0,1,0,0,0,1|0,0,2]=4 6247 B13R1.718 OCC(O)COCC1CCCCC1 7a_100000212181_100011219619 [0,1,0,0,0,1|0,0,2]=4 6248 B13R1.718 OCC(O)CSCC1CCCCC1 62a_100000211423_100011219619 [0,1,0,0,0,1|0,0,2]=4 6249 B13R1.718 OCC(O)CSCC1CCCCC1 62a_100011219619_100000211423 [0,1,0,0,0,1|0,0,2]=4 6250 B13R1.718 OC[C@@H](O)CNCC1CCCCC1 2230a_100020644852_100000211423 [0,1,0,0,0,1|0,0,2]=4 6251 B13R1.718 OC[C@@H](O)CNCC1CCCCC1 269862a_100020644852_100000211278 [0,1,0,0,0,1|0,0,2]=4 6252 B13R1.718 OC[C@H](F)CNCC1CCCCC1 269862a_100015665980_100000211278 [0,1,0,0,0,1|1,0,1]=4 6253 B13R1.718 OC[C@H](F)CNCC1CCCCC1 34a_100015665980_100000211423 [0,1,0,0,0,1|1,0,1]=4 6254 B13R1.718 OC[C@H](O)CNCC1CCCCC1 2230a_100000210473_100009815848 [0,1,0,0,0,1|0,0,2]=4 6255 B13R1.718 OC[C@H](O)CNCC1CCCCC1 34a_100000210473_100009815848 [0,1,0,0,0,1|0,0,2]=4 6256 B13R1.718 OC[C@H](O)COCC1CCCCC1 34a_100000212181_100009815848 [0,1,0,0,0,1|0,0,2]=4 6257 B13R1.718 OC[C@H](O)COCC1CCCCC1 7a_100000212181_100009815848 [0,1,0,0,0,1|0,0,2]=4 6258 B13R1.718 OC[C@H](O)CSCC1CCCCC1 62a_100000211423_100009815848 [0,1,0,0,0,1|0,0,2]=4 6259 B13R1.718 OC[C@H](O)CSCC1CCCCC1 62a_100009815848_100000211423 [0,1,0,0,0,1|0,0,2]=4 6260 B13R1.718 O[C@@H](CF)CNCC1CCCCC1 2230a_100000210473_100015614560 [0,1,0,0,0,1|1,0,1]=4 6261 B13R1.718 O[C@@H](CF)CNCC1CCCCC1 34a_100000210473_100015614560 [0,1,0,0,0,1|1,0,1]=4 6262 B13R1.718 O[C@@H](CF)COCC1CCCCC1 34a_100000212181_100015614560 [0,1,0,0,0,1|1,0,1]=4 6263 B13R1.718 O[C@@H](CF)COCC1CCCCC1 7a_100000212181_100015614560 [0,1,0,0,0,1|1,0,1]=4 6264 B13R1.718 O[C@@H](CF)CSCC1CCCCC1 62a_100000211423_100015614560 [0,1,0,0,0,1|1,0,1]=4 6265 B13R1.718 O[C@@H](CF)CSCC1CCCCC1 62a_100015614560_100000211423 [0,1,0,0,0,1|1,0,1]=4 6266 B13R1.3523 CC(C)(O)CCNC1CCCCC1 2230a_100000182618_100000702414 [0,1,0,0,0,1|1,0,1]=4 6267 B13R1.3523 CC(C)(O)CCNC1CCCCC1 270004a_100000707701_100000210434 [0,1,0,0,0,1|1,0,1]=4 6268 B13R1.3523 CC(C)(O)CCNC1CCCCC1 34a_100000182618_100000702414 [0,1,0,0,0,1|1,0,1]=4 6269 B13R1.3523 CC(C)(O)CCOC1CCCCC1 34a_100000210231_100000702414 [0,1,0,0,0,1|1,0,1]=4 6270 B13R1.3523 CC(C)(O)CCOC1CCCCC1 7a_100000210231_100000702414 [0,1,0,0,0,1|1,0,1]=4 6271 B13R1.3523 CC(C)(O)CCSC1CCCCC1 62a_100000210327_100000702414 [0,1,0,0,0,1|1,0,1]=4 6272 B13R1.3523 CC(C)(O)CCSC1CCCCC1 62a_100000702414_100000210327 [0,1,0,0,0,1|1,0,1]=4 6273 B13R1.3523 CC(C)(O)CNCC1CCCCC1 2230a_100000751335_100000211423 [0,1,0,0,0,1|1,0,1]=4 6274 B13R1.3523 CC(C)(O)CNCC1CCCCC1 269862a_100000751335_100000211278 [0,1,0,0,0,1|1,0,1]=4 6275 B13R1.3523 CC(C)(O)CNCC1CCCCC1 34a_100000210473_100000764493 [0,1,0,0,0,1|1,0,1]=4 6276 B13R1.3523 CC(C)(O)COCC1CCCCC1 34a_100000212181_100000764493 [0,1,0,0,0,1|1,0,1]=4 6277 B13R1.3523 CC(C)(O)COCC1CCCCC1 7a_100000212181_100000764493 [0,1,0,0,0,1|1,0,1]=4 6278 B13R1.3523 CC(C)(O)CSCC1CCCCC1 62a_100000211423_100000764493 [0,1,0,0,0,1|1,0,1]=4 6279 B13R1.3523 CC(C)(O)CSCC1CCCCC1 62a_100000764493_100000211423 [0,1,0,0,0,1|1,0,1]=4 6280 B13R1.3523 CS(=O)(=O)CCNC1CCCCC1 2230a_100000182618_100000731031 [0,1,0,0,0,1|1,0,1]=4 6281 B13R1.3523 CS(=O)(=O)CCNC1CCCCC1 270004a_100000740961_100000210434 [0,1,0,0,0,1|1,0,1]=4 6282 B13R1.3523 CS(=O)(=O)CCNC1CCCCC1 34a_100000182618_100000731031 [0,1,0,0,0,1|1,0,1]=4 6283 B13R1.3523 CS(=O)(=O)CCNC1CCCCC1 34a_100000740961_100000210327 [0,1,0,0,0,1|1,0,1]=4 6284 B13R1.3523 CS(=O)(=O)CCOC1CCCCC1 34a_100000210231_100000731031 [0,1,0,0,0,1|1,0,1]=4 6285 B13R1.3523 CS(=O)(=O)CCOC1CCCCC1 34a_100000211924_100000210327 [0,1,0,0,0,1|1,0,1]=4 6286 B13R1.3523 CS(=O)(=O)CCOC1CCCCC1 7a_100000210231_100000230027 [0,1,0,0,0,1|1,0,1]=4 6287 B13R1.3523 CS(=O)(=O)CCOC1CCCCC1 7a_100000211924_100000210327 [0,1,0,0,0,1|1,0,1]=4 6288 B13R1.3523 CS(=O)(=O)CCSC1CCCCC1 62a_100000210327_100000230027 [0,1,0,0,0,1|1,0,1]=4 6289 B13R1.3523 CS(=O)(=O)CCSC1CCCCC1 62a_100000731031_100000210327 [0,1,0,0,0,1|1,0,1]=4 6290 B13R1.3523 CS(=O)(=O)NCCC1CCCCC1 40a_100000738074_100000738038 [0,1,0,0,0,1|1,0,1]=4 6291 B13R1.3523 NS(=O)(=O)CCNC1CCCCC1 270004a_100000738205_100000210434 [0,1,0,0,0,1|1,0,1]=4 6292 B13R1.3523 NS(=O)(=O)CCNC1CCCCC1 34a_100000738205_100000210327 [0,1,0,0,0,1|1,0,1]=4 6293 B13R1.3523 NS(=O)(=O)CCOC1CCCCC1 34a_100012334274_100000210327 [0,1,0,0,0,1|1,0,1]=4 6294 B13R1.3523 NS(=O)(=O)CSCC1CCCCC1 62a_100000211423_100000741382 [0,1,0,0,0,1|1,0,1]=4 6295 B13R1.3523 NS(=O)(=O)CSCC1CCCCC1 62a_100000741382_100000211423 [0,1,0,0,0,1|1,0,1]=4 6296 B13R1.3523 O=S(=O)([O-])CCNC1CCCCC1 2230a_100000182618_100000737633 [0,1,0,0,0,1|1,0,1]=4 6297 B13R1.3523 O=S(=O)([O-])CCNC1CCCCC1 34a_100000182618_100000762736 [0,1,0,0,0,1|1,0,1]=4 6298 B13R1.3523 O=S(=O)([O-])CCOC1CCCCC1 34a_100000210231_100000762736 [0,1,0,0,0,1|1,0,1]=4 6299 B13R1.3523 O=S(=O)([O-])CCSC1CCCCC1 62a_100000210327_100000762736 [0,1,0,0,0,1|1,0,1]=4 6300 B13R1.3523 O=S(=O)([O-])CCSC1CCCCC1 62a_100000762736_100000210327 [0,1,0,0,0,1|1,0,1]=4 6301 B13R1.3523 O=S(=O)([O-])CNCC1CCCCC1 34a_100000210473_100009817235 [0,1,0,0,0,1|1,0,1]=4 6302 B13R1.3523 O=S(=O)([O-])COCC1CCCCC1 34a_100000212181_100009817235 [0,1,0,0,0,1|1,0,1]=4 6303 B13R1.3523 O=S(=O)([O-])CSCC1CCCCC1 62a_100000211423_100009817235 [0,1,0,0,0,1|1,0,1]=4 6304 B13R1.3523 O=S(=O)([O-])CSCC1CCCCC1 62a_100009817235_100000211423 [0,1,0,0,0,1|1,0,1]=4 6305 B13R1.5134 C=C(C)CCNC1(CCCCC1)C 2230a_100000741114_100000730704 [0,1,0,0,0,1|2,0,0]=4 6306 B13R1.5134 C=C(C)CCNC1(CCCCC1)C 34a_100000741114_100000730704 [0,1,0,0,0,1|2,0,0]=4 6307 B13R1.5134 C=C(C)CCOC1(CCCCC1)C 34a_100011215885_100000730704 [0,1,0,0,0,1|2,0,0]=4 6308 B13R1.5134 C=C(C)CCOC1(CCCCC1)C 7a_100011215885_100000730704 [0,1,0,0,0,1|2,0,0]=4 6309 B13R1.5134 C=C(C)CNCC1(CCCCC1)C 2230a_100000706052_100000748629 [0,1,0,0,0,1|2,0,0]=4 6310 B13R1.5134 C=C(C)CNCC1(CCCCC1)C 34a_100000706052_100000748629 [0,1,0,0,0,1|2,0,0]=4 6311 B13R1.5134 C=C(C)CNCC1(CCCCC1)O 2230a_100000748649_100000748629 [0,1,0,0,0,1|2,0,0]=4 6312 B13R1.5134 C=C(C)CNCC1(CCCCC1)O 34a_100000748649_100000748629 [0,1,0,0,0,1|2,0,0]=4 6313 B13R1.5134 C=C(C)COCC1(CCCCC1)C 34a_100000688186_100000748629 [0,1,0,0,0,1|2,0,0]=4 6314 B13R1.5134 C=C(C)COCC1(CCCCC1)C 7a_100000688186_100000748629 [0,1,0,0,0,1|2,0,0]=4 6315 B13R1.5134 C=C(C)COCC1(CCCCC1)F 34a_100000090305_100000748629 [0,1,0,0,0,1|2,0,0]=4 6316 B13R1.5134 C=C(C)COCC1(CCCCC1)F 7a_100000090305_100000748629 [0,1,0,0,0,1|2,0,0]=4 6317 B13R1.5134 C=C(C)COCC1(CCCCC1)N 34a_100000740034_100000748629 [0,1,0,0,0,1|2,0,0]=4 6318 B13R1.5134 C=C(F)CNCC1(CCCCC1)C 2230a_100000706052_100009893438 [0,1,0,0,0,1|2,0,0]=4 6319 B13R1.5134 C=C(F)CNCC1(CCCCC1)C 34a_100000706052_100009893438 [0,1,0,0,0,1|2,0,0]=4 6320 B13R1.5134 C=C(F)CNCC1(CCCCC1)O 2230a_100000748649_100009893438 [0,1,0,0,0,1|2,0,0]=4 6321 B13R1.5134 C=C(F)CNCC1(CCCCC1)O 34a_100000748649_100009893438 [0,1,0,0,0,1|2,0,0]=4 6322 B13R1.5134 C=C(F)COCC1(CCCCC1)C 34a_100000688186_100009893438 [0,1,0,0,0,1|2,0,0]=4 6323 B13R1.5134 C=C(F)COCC1(CCCCC1)C 7a_100000688186_100000042424 [0,1,0,0,0,1|2,0,0]=4 6324 B13R1.5134 C=C(F)COCC1(CCCCC1)F 34a_100000090305_100009893438 [0,1,0,0,0,1|2,0,0]=4 6325 B13R1.5134 C=C(F)COCC1(CCCCC1)F 7a_100000090305_100000042424 [0,1,0,0,0,1|2,0,0]=4 6326 B13R1.5134 C=C(F)COCC1(CCCCC1)N 34a_100000740034_100009893438 [0,1,0,0,0,1|2,0,0]=4 6327 B13R1.5134 CC(=O)CCOC1(CCCCC1)C 7a_100011215885_100000053229 [0,1,0,0,0,1|1,0,0]=3 6328 B13R1.5134 CC(=O)CCOC1(CCOCC1)C 7a_100011827762_100000053229 [0,1,0,0,0,1|2,0,0]=4 6329 B13R1.5134 CC(=O)CCOC1(CCSCC1)C 7a_200011004327_100000053229 [0,1,0,0,0,1|2,0,0]=4 6330 B13R1.5134 CC(=O)NCCC1(CCCCC1)O 11a_100102740465_100015343762 [0,1,0,0,0,1|1,0,0]=3 6331 B13R1.5134 CC(=O)NCCC1(CCCCC1)O 1626a_100102740465_100015343762 [0,1,0,0,0,1|1,0,0]=3 6332 B13R1.5134 CC(=O)NCCC1(CCCCC1)O 240690a_100102740465_100015343762 [0,1,0,0,0,1|1,0,0]=3 6333 B13R1.5134 CC(=O)NCCC1(CCCCC1)O 527a_100102740465_100103153847 [0,1,0,0,0,1|1,0,0]=3 6334 B13R1.5134 CC(=O)OCNC1(CCCCC1)C 34a_100000741114_100009813279 [0,1,0,0,0,1|2,0,0]=4 6335 B13R1.5134 CC(=O)OCOC1(CCCCC1)C 34a_100011215885_100009813279 [0,1,0,0,0,1|2,0,0]=4 6336 B13R1.5134 CC(O)CCNC1(CCCCC1)C 2230a_100000741114_100012276601 [0,1,0,0,0,1|1,0,1]=4 6337 B13R1.5134 CC(O)CCNC1(CCCCC1)C 34a_100000741114_100012276601 [0,1,0,0,0,1|1,0,1]=4 6338 B13R1.5134 CC(O)CCOC1(CCCCC1)C 34a_100011215885_100012276601 [0,1,0,0,0,1|1,0,1]=4 6339 B13R1.5134 CC(O)CCOC1(CCCCC1)C 7a_100011215885_100012276601 [0,1,0,0,0,1|1,0,1]=4 6340 B13R1.5134 CC(O)CNCC1(CCCCC1)C 2230a_100000706052_100011218427 [0,1,0,0,0,1|1,0,1]=4 6341 B13R1.5134 CC(O)CNCC1(CCCCC1)C 269862a_100000210904_100011935227 [0,1,0,0,0,1|1,0,1]=4 6342 B13R1.5134 CC(O)CNCC1(CCCCC1)C 34a_100000706052_100011218427 [0,1,0,0,0,1|1,0,1]=4 6343 B13R1.5134 CC(O)CNCC1(CCCCC1)O 2230a_100000748649_100011218427 [0,1,0,0,0,1|1,0,1]=4 6344 B13R1.5134 CC(O)CNCC1(CCCCC1)O 34a_100000748649_100011218427 [0,1,0,0,0,1|1,0,1]=4 6345 B13R1.5134 CC(O)COCC1(CCCCC1)C 34a_100000688186_100011218427 [0,1,0,0,0,1|1,0,1]=4 6346 B13R1.5134 CC(O)COCC1(CCCCC1)C 7a_100000688186_100011218427 [0,1,0,0,0,1|1,0,1]=4 6347 B13R1.5134 CC(O)COCC1(CCCCC1)F 34a_100000090305_100011218427 [0,1,0,0,0,1|1,0,1]=4 6348 B13R1.5134 CC(O)COCC1(CCCCC1)F 7a_100000090305_100011218427 [0,1,0,0,0,1|1,0,1]=4 6349 B13R1.5134 CC(O)COCC1(CCCCC1)N 34a_100000740034_100011218427 [0,1,0,0,0,1|1,0,1]=4 6350 B13R1.5134 CC1(CCCCC1)CNCC(=O)N 2230a_100000706052_100000747473 [0,1,0,0,0,1|1,0,0]=3 6351 B13R1.5134 CC1(CCCCC1)CNCC(=O)N 34a_100000706052_100000187820 [0,1,0,0,0,1|1,0,0]=3 6352 B13R1.5134 CC1(CCCCC1)CNCC(=O)[O-] 34a_100000706052_100020667443 [0,1,0,0,0,1|0,0,1]=3 6353 B13R1.5134 CC1(CCCCC1)CNC[N+](=O)[O-] 34a_100000706052_100000761209 [0,1,0,0,0,1|1,0,1]=4 6354 B13R1.5134 CC1(CCCCC1)COCC(=O)N 34a_100000688186_100000187820 [0,1,0,0,0,1|1,0,0]=3 6355 B13R1.5134 CC1(CCCCC1)COCC(=O)N 7a_100000688186_100000187820 [0,1,0,0,0,1|1,0,0]=3 6356 B13R1.5134 CC1(CCCCC1)COCC(=O)[O-] 34a_100000688186_100020667443 [0,1,0,0,0,1|0,0,1]=3 6357 B13R1.5134 CC1(CCCCC1)COC[N+](=O)[O-] 34a_100000688186_100000761209 [0,1,0,0,0,1|1,0,1]=4 6358 B13R1.5134 CC1(CCCCC1)NCCC(=O)N 2230a_100000741114_100000744528 [0,1,0,0,0,1|1,0,0]=3 6359 B13R1.5134 CC1(CCCCC1)NCCC(=O)N 34a_100000741114_100000731001 [0,1,0,0,0,1|1,0,0]=3 6360 B13R1.5134 CC1(CCCCC1)OCCC(=O)N 34a_100011215885_100000731001 [0,1,0,0,0,1|1,0,0]=3 6361 B13R1.5134 CC1(CCCCC1)OCCC(=O)N 7a_100011215885_100000744528 [0,1,0,0,0,1|1,0,0]=3 6362 B13R1.5134 CC1(CCOCC1)CNCC(=O)N 2230a_100000695556_100000747473 [0,1,0,0,0,1|2,0,0]=4 6363 B13R1.5134 CC1(CCOCC1)CNCC(=O)N 34a_100000695556_100000187820 [0,1,0,0,0,1|2,0,0]=4 6364 B13R1.5134 CC1(CCOCC1)CNCC(=O)[O-] 34a_100000695556_100020667443 [0,1,0,0,0,1|1,0,1]=4 6365 B13R1.5134 CC1(CCOCC1)COCC(=O)N 34a_100000704393_100000187820 [0,1,0,0,0,1|2,0,0]=4 6366 B13R1.5134 CC1(CCOCC1)COCC(=O)N 7a_100000704393_100000187820 [0,1,0,0,0,1|2,0,0]=4 6367 B13R1.5134 CC1(CCOCC1)COCC(=O)[O-] 34a_100000704393_100020667443 [0,1,0,0,0,1|1,0,1]=4 6368 B13R1.5134 CC1(CCOCC1)NCCC(=O)N 2230a_100000692449_100000744528 [0,1,0,0,0,1|2,0,0]=4 6369 B13R1.5134 CC1(CCOCC1)NCCC(=O)N 34a_100000692449_100000731001 [0,1,0,0,0,1|2,0,0]=4 6370 B13R1.5134 CC1(CCOCC1)OCCC(=O)N 34a_100011827762_100000731001 [0,1,0,0,0,1|2,0,0]=4 6371 B13R1.5134 CC1(CCOCC1)OCCC(=O)N 7a_100011827762_100000744528 [0,1,0,0,0,1|2,0,0]=4 6372 B13R1.5134 CC1(CCSCC1)OCCC(=O)N 34a_200011004327_100000731001 [0,1,0,0,0,1|2,0,0]=4 6373 B13R1.5134 CC1(CCSCC1)OCCC(=O)N 7a_200011004327_100000744528 [0,1,0,0,0,1|2,0,0]=4 6374 B13R1.5134 C[C@@H](O)CNCC1(CCCCC1)C 2230a_100000706052_100009817552 [0,1,0,0,0,1|1,0,1]=4 6375 B13R1.5134 C[C@@H](O)CNCC1(CCCCC1)C 34a_100000706052_100009817552 [0,1,0,0,0,1|1,0,1]=4 6376 B13R1.5134 C[C@@H](O)CNCC1(CCCCC1)O 2230a_100000748649_100009817552 [0,1,0,0,0,1|1,0,1]=4 6377 B13R1.5134 C[C@@H](O)CNCC1(CCCCC1)O 34a_100000748649_100009817552 [0,1,0,0,0,1|1,0,1]=4 6378 B13R1.5134 C[C@@H](O)COCC1(CCCCC1)C 34a_100000688186_100009817552 [0,1,0,0,0,1|1,0,1]=4 6379 B13R1.5134 C[C@@H](O)COCC1(CCCCC1)C 7a_100000688186_100009817552 [0,1,0,0,0,1|1,0,1]=4 6380 B13R1.5134 C[C@@H](O)COCC1(CCCCC1)F 34a_100000090305_100009817552 [0,1,0,0,0,1|1,0,1]=4 6381 B13R1.5134 C[C@@H](O)COCC1(CCCCC1)F 7a_100000090305_100009817552 [0,1,0,0,0,1|1,0,1]=4 6382 B13R1.5134 C[C@@H](O)COCC1(CCCCC1)N 34a_100000740034_100009817552 [0,1,0,0,0,1|1,0,1]=4 6383 B13R1.5134 NC(=O)CNCC1(CCCCC1)O 2230a_100000748649_100000747473 [0,1,0,0,0,1|1,0,0]=3 6384 B13R1.5134 NC(=O)CNCC1(CCCCC1)O 34a_100000748649_100000187820 [0,1,0,0,0,1|1,0,0]=3 6385 B13R1.5134 NC(=O)CNCC1(CCOCC1)F 2230a_100016991512_100000747473 [0,1,0,0,0,1|2,0,0]=4 6386 B13R1.5134 NC(=O)CNCC1(CCOCC1)F 34a_100016991512_100000187820 [0,1,0,0,0,1|2,0,0]=4 6387 B13R1.5134 NC(=O)CNCC1(CCOCC1)O 2230a_100000704115_100000747473 [0,1,0,0,0,1|2,0,0]=4 6388 B13R1.5134 NC(=O)CNCC1(CCOCC1)O 34a_100000704115_100000187820 [0,1,0,0,0,1|2,0,0]=4 6389 B13R1.5134 NC(=O)CNCC1(CCSCC1)O 2230a_100000758141_100000747473 [0,1,0,0,0,1|2,0,0]=4 6390 B13R1.5134 NC(=O)COCC1(CCCCC1)F 34a_100000090305_100000187820 [0,1,0,0,0,1|1,0,0]=3 6391 B13R1.5134 NC(=O)COCC1(CCCCC1)F 7a_100000090305_100000187820 [0,1,0,0,0,1|1,0,0]=3 6392 B13R1.5134 NC(=O)COCC1(CCCCC1)N 34a_100000740034_100000187820 [0,1,0,0,0,1|1,0,0]=3 6393 B13R1.5134 NC(=O)COCC1(CCNCC1)F 34a_100016990393_100000187820 [0,1,0,0,0,1|2,0,0]=4 6394 B13R1.5134 NC(=O)COCC1(CCOCC1)N 34a_100000751404_100000187820 [0,1,0,0,0,1|2,0,0]=4 6395 B13R1.5134 NC1(CCCCC1)COCC(=O)[O-] 34a_100000740034_100020667443 [0,1,0,0,0,1|0,0,1]=3 6396 B13R1.5134 NC1(CCCCC1)COC[N+](=O)[O-] 34a_100000740034_100000761209 [0,1,0,0,0,1|1,0,1]=4 6397 B13R1.5134 NC1(CCOCC1)COCC(=O)[O-] 34a_100000751404_100020667443 [0,1,0,0,0,1|1,0,1]=4 6398 B13R1.5134 O=C([O-])CNCC1(CCCCC1)O 34a_100000748649_100020667443 [0,1,0,0,0,1|0,0,1]=3 6399 B13R1.5134 O=C([O-])CNCC1(CCOCC1)F 34a_100016991512_100020667443 [0,1,0,0,0,1|1,0,1]=4 6400 B13R1.5134 O=C([O-])CNCC1(CCOCC1)O 34a_100000704115_100020667443 [0,1,0,0,0,1|1,0,1]=4 6401 B13R1.5134 O=C([O-])COCC1(CCCCC1)F 34a_100000090305_100020667443 [0,1,0,0,0,1|0,0,1]=3 6402 B13R1.5134 O=C([O-])COCC1(CCNCC1)F 34a_100016990393_100020667443 [0,1,0,0,0,1|1,0,1]=4 6403 B13R1.5134 O=[N+]([O-])CNCC1(CCCCC1)O 34a_100000748649_100000761209 [0,1,0,0,0,1|1,0,1]=4 6404 B13R1.5134 O=[N+]([O-])COCC1(CCCCC1)F 34a_100000090305_100000761209 [0,1,0,0,0,1|1,0,1]=4 6405 B13R1.280 CC(=O)CCN1CCCCCC1=O 1458a_200011207554_200000210301 [0,1,0,0,0,1|2,0,0]=4 6406 B13R1.280 NC(=O)CSC1CCCCCC1=O 62a_100000243696_100000747473 [0,1,0,0,0,1|2,0,0]=4 6407 B13R1.280 NC(=O)CSC1CCCCCC1=O 62a_100000747473_100000243696 [0,1,0,0,0,1|2,0,0]=4 6408 B13R1.280 O=C(O)CNC1CCCCCC1=O 269956a_100016091260_100000243696 [0,1,0,0,0,1|1,0,0]=3 6409 B13R1.280 O=C(O)CNC1CCCCNC1=O 269956a_100016091260_100000735217 [0,1,0,0,0,1|1,0,1]=4 6410 B13R1.280 O=C([O-])CSC1CCCCCC1=O 62a_100000243696_100020667443 [0,1,0,0,0,1|1,0,1]=4 6411 B13R1.280 O=C([O-])CSC1CCCCCC1=O 62a_100020667443_100000243696 [0,1,0,0,0,1|1,0,1]=4 6412 B13R1.280 [13CH3]C(=O)CCN1CCCCCC1=O 1458a_200011207554_200025704644 [0,1,0,0,0,1|2,0,0]=4 6413 B13R1.1711 C#CC(=O)CCN1CCCCCC1 1458a_100000211873_100000722644 [0,1,0,0,0,1|2,0,0]=4 6414 B13R1.1711 C=CC(=O)CCN1CCCCCC1 1458a_100000185746_100000722644 [0,1,0,0,0,1|2,0,0]=4 6415 B13R1.1711 C=CC(=O)NCC1CCCCCC1 1626a_100015204231_100000185746 [0,1,0,0,0,1|2,0,0]=4 6416 B13R1.1711 C=CC(=O)NCC1CCCCCC1 240690a_100015204231_200121576911 [0,1,0,0,0,1|2,0,0]=4 6417 B13R1.1711 CCC(=O)CCN1CCCCCC1 1458a_100000210414_100000722644 [0,1,0,0,0,1|2,0,0]=4 6418 B13R1.1711 CCC(=O)CCN1CCCCCC1 1458a_100000740320_100000210202 [0,1,0,0,0,1|2,0,0]=4 6419 B13R1.1711 CCC(=O)COC1CCCCCC1 34a_100000725409_100011217769 [0,1,0,0,0,1|2,0,0]=4 6420 B13R1.1711 CCC(=O)COC1CCCCCC1 7a_100000210887_100000747405 [0,1,0,0,0,1|2,0,0]=4 6421 B13R1.1711 CCC(=O)CSC1CCCCCC1 62a_100000747405_100011217769 [0,1,0,0,0,1|2,0,0]=4 6422 B13R1.1711 CCC(=O)CSC1CCCCCC1 62a_100011217769_100000747405 [0,1,0,0,0,1|2,0,0]=4 6423 B13R1.1711 CCC(=O)NCC1CCCCCC1 11a_100015204231_100000210414 [0,1,0,0,0,1|2,0,0]=4 6424 B13R1.1711 CCC(=O)NCC1CCCCCC1 1626a_100015204231_100000210414 [0,1,0,0,0,1|2,0,0]=4 6425 B13R1.1711 CCC(=O)NCC1CCCCCC1 240690a_100015204231_100000210414 [0,1,0,0,0,1|2,0,0]=4 6426 B13R1.1711 CCC(=O)NCC1CCCCCC1 527a_100015204231_100000210414 [0,1,0,0,0,1|2,0,0]=4 6427 B13R1.1711 CNC(=O)CCN1CCCCCC1 2230a_100000185865_100000737683 [0,1,0,0,0,1|2,0,0]=4 6428 B13R1.1711 CNC(=O)CCN1CCCCCC1 240690a_100102657272_100000740320 [0,1,0,0,0,1|2,0,0]=4 6429 B13R1.1711 CNC(=O)CCN1CCCCCC1 269982a_100000185865_100000737683 [0,1,0,0,0,1|2,0,0]=4 6430 B13R1.1711 CNC(=O)CCN1CCCCCC1 34a_100000185865_100012179268 [0,1,0,0,0,1|2,0,0]=4 6431 B13R1.1711 CNC(=O)CCN1CCCOCC1 2230a_100000685342_100000737683 [0,1,0,0,0,1|2,0,0]=4 6432 B13R1.1711 CNC(=O)CCN1CCCOCC1 269982a_100000685342_100000737683 [0,1,0,0,0,1|2,0,0]=4 6433 B13R1.1711 CNC(=O)CCN1CCCOCC1 34a_100000685342_100012179268 [0,1,0,0,0,1|2,0,0]=4 6434 B13R1.1711 CNC(=O)CNC1CCCCCC1 2230a_100000210984_100000183359 [0,1,0,0,0,1|2,0,0]=4 6435 B13R1.1711 CNC(=O)CNC1CCCCCC1 270004a_100000693194_100000210131 [0,1,0,0,0,1|2,0,0]=4 6436 B13R1.1711 CNC(=O)CNC1CCCCCC1 34a_100000210984_100000183359 [0,1,0,0,0,1|2,0,0]=4 6437 B13R1.1711 CNC(=O)CNC1CCCNCC1 270004a_100000693194_100015187895 [0,1,0,0,0,1|2,0,0]=4 6438 B13R1.1711 CNC(=O)COC1CCCCCC1 34a_100000210887_100000183359 [0,1,0,0,0,1|2,0,0]=4 6439 B13R1.1711 CNC(=O)COC1CCCCCC1 34a_100000750040_100011217769 [0,1,0,0,0,1|2,0,0]=4 6440 B13R1.1711 CNC(=O)COC1CCCCCC1 7a_100000210887_100000183359 [0,1,0,0,0,1|2,0,0]=4 6441 B13R1.1711 CNC(=O)CSC1CCCCCC1 62a_100000183359_100011217769 [0,1,0,0,0,1|2,0,0]=4 6442 B13R1.1711 CNC(=O)CSC1CCCCCC1 62a_100011217769_100000183359 [0,1,0,0,0,1|2,0,0]=4 6443 B13R1.1711 CNC(=O)NCC1CCCCCC1 2708a_100015204231_106832991635 [0,1,0,0,0,1|2,0,0]=4 6444 B13R1.1711 CNC(=O)NCC1CCCCCC1 2708a_100102657272_100015204231 [0,1,0,0,0,1|2,0,0]=4 6445 B13R1.1711 CNC(=O)NCC1CCCCCC1 273464a_100015204231_100102657272 [0,1,0,0,0,1|2,0,0]=4 6446 B13R1.1711 CNC(=O)NCC1CCCCCC1 273464a_100102657272_100015204231 [0,1,0,0,0,1|2,0,0]=4 6447 B13R1.1711 CNC(=O)NCC1CCCCCC1 512a_106832991638_100015204231 [0,1,0,0,0,1|2,0,0]=4 6448 B13R1.1711 COC(=O)CCN1CCCCCC1 2230a_100000185865_100000204255 [0,1,0,0,0,1|1,0,0]=3 6449 B13R1.1711 COC(=O)CCN1CCCCCC1 269982a_100000185865_100000204255 [0,1,0,0,0,1|1,0,0]=3 6450 B13R1.1711 COC(=O)CCN1CCCCCC1 34a_100000185865_100000742370 [0,1,0,0,0,1|1,0,0]=3 6451 B13R1.1711 COC(=O)CCN1CCCOCC1 2230a_100000685342_100000204255 [0,1,0,0,0,1|1,0,0]=3 6452 B13R1.1711 COC(=O)CCN1CCCOCC1 269982a_100000685342_100000204255 [0,1,0,0,0,1|1,0,0]=3 6453 B13R1.1711 COC(=O)CCN1CCCOCC1 34a_100000685342_100000742370 [0,1,0,0,0,1|1,0,0]=3 6454 B13R1.1711 COC(=O)CNC1CCCCCC1 2230a_100000210984_100000747449 [0,1,0,0,0,1|1,0,0]=3 6455 B13R1.1711 COC(=O)CNC1CCCCCC1 34a_100000210984_100000747449 [0,1,0,0,0,1|1,0,0]=3 6456 B13R1.1711 COC(=O)COC1CCCCCC1 34a_100000210887_100000747449 [0,1,0,0,0,1|1,0,0]=3 6457 B13R1.1711 COC(=O)COC1CCCCCC1 7a_100000210887_100000747449 [0,1,0,0,0,1|1,0,0]=3 6458 B13R1.1711 COC(=O)CSC1CCCCCC1 62a_100000747449_100011217769 [0,1,0,0,0,1|1,0,0]=3 6459 B13R1.1711 COC(=O)CSC1CCCCCC1 62a_100011217769_100000747449 [0,1,0,0,0,1|1,0,0]=3 6460 B13R1.1711 O=C(CF)CCN1CCCCCC1 1458a_100000740320_100015361967 [0,1,0,0,0,1|2,0,0]=4 6461 B13R1.1711 O=C(CO)CCN1CCCCCC1 1458a_100000210174_100000722644 [0,1,0,0,0,1|1,0,0]=3 6462 B13R1.1711 O=C(CO)NCC1CCCCCC1 240690a_100015204231_100000210174 [0,1,0,0,0,1|1,0,0]=3 6463 B13R1.1711 O=C(CO)NCC1CCCCCC1 527a_100015204231_100000210174 [0,1,0,0,0,1|1,0,0]=3 6464 B13R1.3501 CC(=O)CCN1CCCCC(C1)O 269982a_100025706797_100000053229 [0,1,0,0,0,1|2,0,0]=4 6465 B13R1.3501 CC(=O)CCN1CCOC[C@@H](C1)O 269982a_100016073750_100000053229 [0,1,0,0,0,1|2,0,0]=4 6466 B13R1.3501 NC(=O)CCN1CCCCC(C1)O 2230a_100025706797_100000744528 [0,1,0,0,0,1|2,0,0]=4 6467 B13R1.3501 NC(=O)CCN1CCCCC(C1)O 269982a_100025706797_100000744528 [0,1,0,0,0,1|2,0,0]=4 6468 B13R1.3501 NC(=O)CCN1CCOC[C@@H](C1)O 2230a_100016073750_100000744528 [0,1,0,0,0,1|2,0,0]=4 6469 B13R1.3501 NC(=O)CCN1CCOC[C@@H](C1)O 269982a_100016073750_100000744528 [0,1,0,0,0,1|2,0,0]=4 6470 B13R1.3796 CC(=O)CCN1CCCC(CC1)C 269982a_100025706717_100000053229 [0,1,0,0,0,1|2,0,0]=4 6471 B13R1.3796 CC(=O)CCN1CCCC(CC1)O 269982a_100015186869_100000053229 [0,1,0,0,0,1|2,0,0]=4 6472 B13R1.3796 CC(=O)CCN1CCCN(CC1)C 1458a_200000176891_200000210301 [0,1,0,0,0,1|2,0,0]=4 6473 B13R1.3796 CC(=O)CCN1CCCN(CC1)C 269982a_100000211313_100000053229 [0,1,0,0,0,1|2,0,0]=4 6474 B13R1.3796 CC1CCCN(CC1)CCC(=O)N 2230a_100025706717_100000744528 [0,1,0,0,0,1|2,0,0]=4 6475 B13R1.3796 CC1CCCN(CC1)CCC(=O)N 269982a_100025706717_100000744528 [0,1,0,0,0,1|2,0,0]=4 6476 B13R1.3796 CC1CCCN(CC1)CCC(=O)N 34a_100025706717_100000731001 [0,1,0,0,0,1|2,0,0]=4 6477 B13R1.3796 CN1CCCN(CC1)CCC(=O)N 2230a_100000211313_100000744528 [0,1,0,0,0,1|2,0,0]=4 6478 B13R1.3796 CN1CCCN(CC1)CCC(=O)N 269982a_100000211313_100000744528 [0,1,0,0,0,1|2,0,0]=4 6479 B13R1.3796 CN1CCCN(CC1)CCC(=O)[13CH3] 1458a_200000176891_200025704644 [0,1,0,0,0,1|2,0,0]=4 6480 B13R1.3796 NC(=O)CCN1CCCC(CC1)O 2230a_100015186869_100000744528 [0,1,0,0,0,1|2,0,0]=4 6481 B13R1.3796 NC(=O)CCN1CCCC(CC1)O 269982a_100015186869_100000744528 [0,1,0,0,0,1|2,0,0]=4 6482 B13R1.6192 CC(=O)C(C)NC1CCCCCC1 2230a_100000210984_100009814033 [0,1,0,0,0,1|2,0,0]=4 6483 B13R1.6192 CC(=O)C(C)OC1CCCCCC1 34a_100000212229_100011217769 [0,1,0,0,0,1|2,0,0]=4 6484 B13R1.6192 CC(=O)C(C)OC1CCCCCC1 7a_100000210887_100000179758 [0,1,0,0,0,1|2,0,0]=4 6485 B13R1.6192 CC(=O)C(C)SC1CCCCCC1 62a_100009814033_100011217769 [0,1,0,0,0,1|2,0,0]=4 6486 B13R1.6192 CC(=O)C(C)SC1CCCCCC1 62a_100011217769_100009814033 [0,1,0,0,0,1|2,0,0]=4 6487 B13R1.6192 CC(NC1CCCCCC1)C(=O)N 2230a_100000210984_100000702099 [0,1,0,0,0,1|2,0,0]=4 6488 B13R1.6192 CC(NC1CCCCCC1)C(=O)N 34a_100000210984_100000702099 [0,1,0,0,0,1|2,0,0]=4 6489 B13R1.6192 CC(OC1CCCCCC1)C(=O)N 34a_100000210887_100000702099 [0,1,0,0,0,1|2,0,0]=4 6490 B13R1.6192 CC(OC1CCCCCC1)C(=O)N 7a_100000210887_100000702099 [0,1,0,0,0,1|2,0,0]=4 6491 B13R1.6192 CC(SC1CCCCCC1)C(=O)N 62a_100000702099_100011217769 [0,1,0,0,0,1|2,0,0]=4 6492 B13R1.6192 CC(SC1CCCCCC1)C(=O)N 62a_100011217769_100000702099 [0,1,0,0,0,1|2,0,0]=4 6493 B13R1.6192 C[C@@H](NC1CCCCCC1)C(=O)N 270004a_100000119354_100000210131 [0,1,0,0,0,1|2,0,0]=4 6494 B13R1.6192 C[C@@H](NC1CCCCCC1)C(=O)N 34a_100000119354_100011217769 [0,1,0,0,0,1|2,0,0]=4 6495 B13R1.6192 C[C@@H](NC1CCCNCC1)C(=O)N 270004a_100000119354_100015187895 [0,1,0,0,0,1|2,0,0]=4 6496 B13R1.6192 C[C@@H](OC1CCCCCC1)C(=O)N 34a_100000731257_100011217769 [0,1,0,0,0,1|2,0,0]=4 6497 B13R1.6192 C[C@H](NC1CCCCCC1)C(=O)O 269956a_100000743915_100011217769 [0,1,0,0,0,1|1,0,0]=3 6498 B13R1.6192 NC(=O)C(F)NC1CCCCCC1 2230a_100000210984_100009813875 [0,1,0,0,0,1|2,0,0]=4 6499 B13R1.6192 NC(=O)C(F)NC1CCCCCC1 34a_100000210984_100009813875 [0,1,0,0,0,1|2,0,0]=4 6500 B13R1.6192 NC(=O)C(F)OC1CCCCCC1 34a_100000210887_100009813875 [0,1,0,0,0,1|2,0,0]=4 6501 B13R1.6192 NC(=O)C(F)OC1CCCCCC1 7a_100000210887_100009813875 [0,1,0,0,0,1|2,0,0]=4 6502 B13R1.6192 NC(=O)C(F)SC1CCCCCC1 62a_100009813875_100011217769 [0,1,0,0,0,1|2,0,0]=4 6503 B13R1.6192 NC(=O)C(F)SC1CCCCCC1 62a_100011217769_100009813875 [0,1,0,0,0,1|2,0,0]=4 6504 B13R1.6192 O=C([O-])C(F)NC1CCCCCC1 34a_100000210984_100020610796 [0,1,0,0,0,1|1,0,1]=4 6505 B13R1.6192 O=C([O-])C(F)OC1CCCCCC1 34a_100000210887_100020610796 [0,1,0,0,0,1|1,0,1]=4 6506 B13R1.6192 O=C([O-])C(F)SC1CCCCCC1 62a_100011217769_100020610796 [0,1,0,0,0,1|1,0,1]=4 6507 B13R1.6192 O=C([O-])C(F)SC1CCCCCC1 62a_100020610796_100011217769 [0,1,0,0,0,1|1,0,1]=4 6508 B13R1.7456 CC(=O)CC(C)N1CCCCCC1 1458a_100015185830_200000210301 [0,1,0,0,0,1|2,0,0]=4 6509 B13R1.7456 CC(CC(=O)[13CH3])N1CCCCCC1 1458a_100015185830_200025704644 [0,1,0,0,0,1|2,0,0]=4 6510 B13R1.7456 CN(CC(=O)N)C1CCCCCC1 2230a_100015185097_100000747473 [0,1,0,0,0,1|2,0,0]=4 6511 B13R1.7456 CN(CC(=O)N)C1CCCCCC1 269982a_100015185097_100000187820 [0,1,0,0,0,1|2,0,0]=4 6512 B13R1.7456 CN(CC(=O)N)C1CCCCCC1 270004a_100000739694_100000210131 [0,1,0,0,0,1|2,0,0]=4 6513 B13R1.7456 CN(CC(=O)N)C1CCCCCC1 34a_100015185097_100000187820 [0,1,0,0,0,1|2,0,0]=4 6514 B13R1.7456 CN(CC(=O)N)C1CCCNCC1 270004a_100000739694_100015187895 [0,1,0,0,0,1|2,0,0]=4 6515 B13R1.7456 CN(CC(=O)O)C1CCCCCC1 269956a_100000746989_100011217769 [0,1,0,0,0,1|1,0,0]=3 6516 B13R1.7456 CN(CC(=O)O)C1CCCCCC1 269956a_200011259081_200000210301 [0,1,0,0,0,1|1,0,0]=3 6517 B13R1.7456 CN(CC(=O)[O-])C1CCCCCC1 269982a_100015185097_100020667443 [0,1,0,0,0,1|1,0,1]=4 6518 B13R1.7456 CN(CC(=O)[O-])C1CCCCCC1 34a_100015185097_100020667443 [0,1,0,0,0,1|1,0,1]=4 6519 B13R1.7456 NC(=O)CC(=O)C1CCCCCC1 1458a_100000749507_100000187820 [0,1,0,0,0,1|1,0,1]=4 6520 B13R1.7456 NC(=O)CC(=O)C1CCCCCC1 1458a_100134613110_100011217769 [0,1,0,0,0,1|1,0,1]=4 6521 B13R1.7456 O=C([O-])CC(=O)C1CCCCCC1 1458a_100000749507_100020667443 [0,1,0,0,0,1|0,0,2]=4 6522 B13R1.7456 [13CH3]N(CC(=O)O)C1CCCCCC1 269956a_200011259081_200025704644 [0,1,0,0,0,1|1,0,0]=3 6523 B13R1.8682 CC1(CCCCCC1)NCC(=O)N 2230a_100000704638_100000747473 [0,1,0,0,0,1|2,0,0]=4 6524 B13R1.8682 CC1(CCCCCC1)NCC(=O)N 34a_100000704638_100000187820 [0,1,0,0,0,1|2,0,0]=4 6525 B13R1.8682 CC1(CCCCCC1)NCC(=O)[O-] 34a_100000704638_100020667443 [0,1,0,0,0,1|1,0,1]=4 6526 B13R1.8682 CC1(CCCCCC1)OCC(=O)N 34a_100000708895_100000187820 [0,1,0,0,0,1|2,0,0]=4 6527 B13R1.8682 CC1(CCCCCC1)OCC(=O)N 7a_100000708895_100000187820 [0,1,0,0,0,1|2,0,0]=4 6528 B13R1.8682 CC1(CCCCCC1)OCC(=O)[O-] 34a_100000708895_100020667443 [0,1,0,0,0,1|1,0,1]=4 6529 B13R1.8682 CC1(CCCNCC1)OCC(=O)N 34a_100000723723_100000187820 [0,1,0,0,0,1|2,0,0]=4 6530 B13R1.8682 CC1(CCCNCC1)OCC(=O)[O-] 34a_100000723723_100020667443 [0,1,0,0,0,1|1,0,1]=4 6531 B13R1.3 C#CC1CCN(CC1)CCC(=O)C 269982a_100016991398_100000053229 [0,2,0,0,0,0|2,0,0]=4 6532 B13R1.3 C#CC1CCN(CC1)CCC(=O)N 2230a_100016991398_100000744528 [0,2,0,0,0,0|2,0,0]=4 6533 B13R1.3 C#CC1CCN(CC1)CCC(=O)N 269982a_100016991398_100000744528 [0,2,0,0,0,0|2,0,0]=4 6534 B13R1.3 C#CC1CCN(CC1)CCC(=O)N 34a_100016991398_100000731001 [0,2,0,0,0,0|2,0,0]=4 6535 B13R1.3 CC(=O)CCN1CCC(CC1)C#N 1458a_100000070787_100000018976 [0,2,0,0,0,0|2,0,0]=4 6536 B13R1.3 CC(=O)CCN1CCC(CC1)CF 269982a_100015203933_100000053229 [0,2,0,0,0,0|2,0,0]=4 6537 B13R1.3 CC(=O)CCN1CCC(CC1)CO 269982a_100000738675_100000053229 [0,2,0,0,0,0|2,0,0]=4 6538 B13R1.3 CC(=O)NC[C@H]1CC[C@@H](CC1)CO 240690a_100121570882_100015343762 [0,2,0,0,0,0|2,0,0]=4 6539 B13R1.3 CC(=O)NC[C@H]1CC[C@@H](CC1)CO 527a_100121570882_100103153847 [0,2,0,0,0,0|2,0,0]=4 6540 B13R1.3 CCC1CCC(CC1)NCC(=O)N 2230a_100011194317_100000747473 [0,2,0,0,0,0|2,0,0]=4 6541 B13R1.3 CCC1CCC(CC1)NCC(=O)N 34a_100011194317_100000187820 [0,2,0,0,0,0|2,0,0]=4 6542 B13R1.3 CCC1CCC(CC1)NCC(=O)[O-] 34a_100011194317_100020667443 [0,2,0,0,0,0|1,0,1]=4 6543 B13R1.3 CCC1CCC(CC1)OCC(=O)N 34a_100011215326_100000187820 [0,2,0,0,0,0|2,0,0]=4 6544 B13R1.3 CCC1CCC(CC1)OCC(=O)N 7a_100011215326_100000187820 [0,2,0,0,0,0|2,0,0]=4 6545 B13R1.3 CCC1CCC(CC1)OCC(=O)[O-] 34a_100011215326_100020667443 [0,2,0,0,0,0|1,0,1]=4 6546 B13R1.3 CCC1CCN(CC1)CCC(=O)C 269982a_100000754474_100000053229 [0,2,0,0,0,0|2,0,0]=4 6547 B13R1.3 CCC1CCN(CC1)CCC(=O)N 2230a_100000754474_100000744528 [0,2,0,0,0,0|2,0,0]=4 6548 B13R1.3 CCC1CCN(CC1)CCC(=O)N 269982a_100000754474_100000744528 [0,2,0,0,0,0|2,0,0]=4 6549 B13R1.3 CCC1CCN(CC1)CCC(=O)N 34a_100000754474_100000731001 [0,2,0,0,0,0|2,0,0]=4 6550 B13R1.3 CCN1CCC(CC1)CCC(=O)N 2230a_100015183425_100000210202 [0,2,0,0,0,0|2,0,0]=4 6551 B13R1.3 CCN1CCC(CC1)CCC(=O)N 34a_100015183425_100000210202 [0,2,0,0,0,0|2,0,0]=4 6552 B13R1.3 CN[C@H]1CC[C@H](CC1)OCC(=O)N 34a_100020636401_100000187820 [0,2,0,0,0,0|2,0,0]=4 6553 B13R1.3 CN[C@H]1CC[C@H](CC1)OCC(=O)[O-] 34a_100020636401_100020667443 [0,2,0,0,0,0|1,0,1]=4 6554 B13R1.3 COC1CCC(CC1)NCC(=O)N 34a_100015205214_100000187820 [0,2,0,0,0,0|2,0,0]=4 6555 B13R1.3 COC1CCC(CC1)NCC(=O)[O-] 34a_100015205214_100020667443 [0,2,0,0,0,0|1,0,1]=4 6556 B13R1.3 COC1CCC(CC1)OCC(=O)N 34a_100011581665_100000187820 [0,2,0,0,0,0|2,0,0]=4 6557 B13R1.3 COC1CCC(CC1)OCC(=O)N 7a_100011581665_100000187820 [0,2,0,0,0,0|2,0,0]=4 6558 B13R1.3 COC1CCC(CC1)OCC(=O)[O-] 34a_100011581665_100020667443 [0,2,0,0,0,0|1,0,1]=4 6559 B13R1.3 COC1CCN(CC1)CCC(=O)C 269982a_100000234800_100000053229 [0,2,0,0,0,0|2,0,0]=4 6560 B13R1.3 COC1CCN(CC1)CCC(=O)N 2230a_100000234800_100000744528 [0,2,0,0,0,0|2,0,0]=4 6561 B13R1.3 COC1CCN(CC1)CCC(=O)N 269982a_100000234800_100000744528 [0,2,0,0,0,0|2,0,0]=4 6562 B13R1.3 COC1CCN(CC1)CCC(=O)N 34a_100000234800_100000731001 [0,2,0,0,0,0|2,0,0]=4 6563 B13R1.3 CSC1CCN(CC1)CCC(=O)C 269982a_100015202541_100000053229 [0,2,0,0,0,0|2,0,0]=4 6564 B13R1.3 CSC1CCN(CC1)CCC(=O)N 2230a_100015202541_100000744528 [0,2,0,0,0,0|2,0,0]=4 6565 B13R1.3 CSC1CCN(CC1)CCC(=O)N 269982a_100015202541_100000744528 [0,2,0,0,0,0|2,0,0]=4 6566 B13R1.3 CSC1CCN(CC1)CCC(=O)N 34a_100015202541_100000731001 [0,2,0,0,0,0|2,0,0]=4 6567 B13R1.3 N#CC1CCC(CC1)NCC(=O)N 2230a_100102422146_100000747473 [0,2,0,0,0,0|2,0,0]=4 6568 B13R1.3 N#CC1CCC(CC1)NCC(=O)N 34a_100102422146_100000187820 [0,2,0,0,0,0|2,0,0]=4 6569 B13R1.3 N#CC1CCC(CC1)NCC(=O)[O-] 34a_100102422146_100020667443 [0,2,0,0,0,0|1,0,1]=4 6570 B13R1.3 N#CC1CCC(CC1)OCC(=O)N 34a_100009859913_100000187820 [0,2,0,0,0,0|2,0,0]=4 6571 B13R1.3 N#CC1CCC(CC1)OCC(=O)N 7a_100009859913_100000187820 [0,2,0,0,0,0|2,0,0]=4 6572 B13R1.3 N#CC1CCC(CC1)OCC(=O)[O-] 34a_100009859913_100020667443 [0,2,0,0,0,0|1,0,1]=4 6573 B13R1.3 N#CC1CCN(CC1)CCC(=O)N 2230a_100000747632_100000744528 [0,2,0,0,0,0|2,0,0]=4 6574 B13R1.3 NC(=O)CCC1CCN(CC1)CF 34a_100015183425_100015361967 [0,2,0,0,0,0|2,0,0]=4 6575 B13R1.3 NC(=O)CCN1CCC(CC1)CF 2230a_100015203933_100000744528 [0,2,0,0,0,0|2,0,0]=4 6576 B13R1.3 NC(=O)CCN1CCC(CC1)CF 269982a_100015203933_100000744528 [0,2,0,0,0,0|2,0,0]=4 6577 B13R1.3 NC(=O)CCN1CCC(CC1)CF 34a_100015203933_100000731001 [0,2,0,0,0,0|2,0,0]=4 6578 B13R1.3 NC(=O)CCN1CCC(CC1)CO 2230a_100000738675_100000744528 [0,2,0,0,0,0|2,0,0]=4 6579 B13R1.3 NC(=O)CCN1CCC(CC1)CO 269982a_100000738675_100000744528 [0,2,0,0,0,0|2,0,0]=4 6580 B13R1.3 NC(=O)CCN1CCC(CC1)CO 34a_100000738675_100000731001 [0,2,0,0,0,0|2,0,0]=4 6581 B13R1.3 NC(=O)CN[C@H]1CC[C@@H](CC1)CO 34a_100009821084_100000187820 [0,2,0,0,0,0|2,0,0]=4 6582 B13R1.3 O=C([O-])CN[C@H]1CC[C@@H](CC1)CO 34a_100009821084_100020667443 [0,2,0,0,0,0|1,0,1]=4 6583 B13R1.14 C=C1CCN(CC1)CCC(=O)OC 2230a_100000752442_100000204255 [0,2,0,0,0,0|1,0,1]=4 6584 B13R1.14 C=C1CCN(CC1)CCC(=O)OC 269982a_100000752442_100000204255 [0,2,0,0,0,0|1,0,1]=4 6585 B13R1.14 C=C1CCN(CC1)CCC(=O)OC 34a_100000752442_100000742370 [0,2,0,0,0,0|1,0,1]=4 6586 B13R1.14 C=CC(=O)NCC1CCC(CC1)C 1626a_103436935547_100000185746 [0,2,0,0,0,0|2,0,0]=4 6587 B13R1.14 C=CC(=O)NCC1CCC(CC1)C 240690a_103436935547_200121576911 [0,2,0,0,0,0|2,0,0]=4 6588 B13R1.14 CC1CCC(CC1)CNC(=O)CO 240690a_103436935547_100000210174 [0,2,0,0,0,0|1,0,0]=3 6589 B13R1.14 CC1CCC(CC1)CNC(=O)CO 527a_103436935547_100000210174 [0,2,0,0,0,0|1,0,0]=3 6590 B13R1.14 CC1CCN(CC1)CCC(=O)CF 1458a_100000740328_100015361967 [0,2,0,0,0,0|2,0,0]=4 6591 B13R1.14 CCC(=O)CCN1CCC(CC1)C 1458a_100000740328_100000210202 [0,2,0,0,0,0|2,0,0]=4 6592 B13R1.14 CCC(=O)COC1CCC(CC1)C 34a_100000725409_200011216234 [0,2,0,0,0,0|2,0,0]=4 6593 B13R1.14 CCC(=O)COC1CCC(CC1)C 7a_100000210714_100000747405 [0,2,0,0,0,0|2,0,0]=4 6594 B13R1.14 CCC(=O)CSC1CCC(CC1)C 62a_100000747405_200011216234 [0,2,0,0,0,0|2,0,0]=4 6595 B13R1.14 CCC(=O)NCC1CCC(CC1)C 11a_103436935547_100000210414 [0,2,0,0,0,0|2,0,0]=4 6596 B13R1.14 CCC(=O)NCC1CCC(CC1)C 1626a_103436935547_100000210414 [0,2,0,0,0,0|2,0,0]=4 6597 B13R1.14 CCC(=O)NCC1CCC(CC1)C 240690a_103436935547_100000210414 [0,2,0,0,0,0|2,0,0]=4 6598 B13R1.14 CCC(=O)NCC1CCC(CC1)C 527a_103436935547_100000210414 [0,2,0,0,0,0|2,0,0]=4 6599 B13R1.14 CN1CCC(CC1)CNC(=O)CO 240690a_100000746316_100000210174 [0,2,0,0,0,0|2,0,0]=4 6600 B13R1.14 CN1CCC(CC1)CNC(=O)CO 527a_100000746316_100000210174 [0,2,0,0,0,0|2,0,0]=4 6601 B13R1.14 CN1CCN(CC1)CCC(=O)CO 1458a_100000210174_100000694902 [0,2,0,0,0,0|2,0,0]=4 6602 B13R1.14 CNC(=O)CCN1CCC(CC1)C 1626a_100102657272_100000740328 [0,2,0,0,0,0|2,0,0]=4 6603 B13R1.14 CNC(=O)CCN1CCC(CC1)C 2230a_100000188429_100000737683 [0,2,0,0,0,0|2,0,0]=4 6604 B13R1.14 CNC(=O)CCN1CCC(CC1)C 240690a_100102657272_100000740328 [0,2,0,0,0,0|2,0,0]=4 6605 B13R1.14 CNC(=O)CCN1CCC(CC1)C 269982a_100000188429_100000737683 [0,2,0,0,0,0|2,0,0]=4 6606 B13R1.14 CNC(=O)CCN1CCC(CC1)C 34a_100000188429_100012179268 [0,2,0,0,0,0|2,0,0]=4 6607 B13R1.14 CNC(=O)CCN1CCC(CC1)F 2230a_100015193889_100000737683 [0,2,0,0,0,0|2,0,0]=4 6608 B13R1.14 CNC(=O)CCN1CCC(CC1)F 269982a_100015193889_100000737683 [0,2,0,0,0,0|2,0,0]=4 6609 B13R1.14 CNC(=O)CCN1CCC(CC1)F 34a_100015193889_100012179268 [0,2,0,0,0,0|2,0,0]=4 6610 B13R1.14 CNC(=O)CCN1CCC(CC1)O 2230a_100025773856_100000737683 [0,2,0,0,0,0|2,0,0]=4 6611 B13R1.14 CNC(=O)CCN1CCC(CC1)O 269982a_100025773856_100000737683 [0,2,0,0,0,0|2,0,0]=4 6612 B13R1.14 CNC(=O)CNC1CCC(CC1)C 270004a_100000693194_100000185489 [0,2,0,0,0,0|2,0,0]=4 6613 B13R1.14 CNC(=O)CNC1CCC(CC1)O 270004a_100000693194_100000764474 [0,2,0,0,0,0|2,0,0]=4 6614 B13R1.14 CNC(=O)CN[C@H]1CC[C@@H](CC1)C 2230a_100020625639_100000183359 [0,2,0,0,0,0|2,0,0]=4 6615 B13R1.14 CNC(=O)CN[C@H]1CC[C@@H](CC1)C 34a_100020625639_100000183359 [0,2,0,0,0,0|2,0,0]=4 6616 B13R1.14 CNC(=O)COC1CCC(CC1)C 34a_100000210714_100000183359 [0,2,0,0,0,0|2,0,0]=4 6617 B13R1.14 CNC(=O)COC1CCC(CC1)C 34a_100000750040_200011216234 [0,2,0,0,0,0|2,0,0]=4 6618 B13R1.14 CNC(=O)COC1CCC(CC1)C 7a_100000210714_100000183359 [0,2,0,0,0,0|2,0,0]=4 6619 B13R1.14 CNC(=O)CO[C@H]1CC[C@H](CC1)N 34a_100020628982_100000183359 [0,2,0,0,0,0|2,0,0]=4 6620 B13R1.14 CNC(=O)CSC1CCC(CC1)C 62a_100000183359_200011216234 [0,2,0,0,0,0|2,0,0]=4 6621 B13R1.14 CNC(=O)NCC1CCC(CC1)C 2708a_100102657272_103436935547 [0,2,0,0,0,0|2,0,0]=4 6622 B13R1.14 CNC(=O)NCC1CCC(CC1)C 2708a_103436935547_106832991635 [0,2,0,0,0,0|2,0,0]=4 6623 B13R1.14 CNC(=O)NCC1CCC(CC1)C 273464a_100102657272_103436935547 [0,2,0,0,0,0|2,0,0]=4 6624 B13R1.14 CNC(=O)NCC1CCC(CC1)C 273464a_103436935547_100102657272 [0,2,0,0,0,0|2,0,0]=4 6625 B13R1.14 CNC(=O)NCC1CCC(CC1)C 512a_106832991638_103436935547 [0,2,0,0,0,0|2,0,0]=4 6626 B13R1.14 COC(=O)CCC1CCN(CC1)C 2230a_100000685932_200000210301 [0,2,0,0,0,0|1,0,0]=3 6627 B13R1.14 COC(=O)CCC1CCN(CC1)C 269982a_100000685932_200000210301 [0,2,0,0,0,0|1,0,0]=3 6628 B13R1.14 COC(=O)CCC1CCN(CC1)C 34a_100000685932_200000210301 [0,2,0,0,0,0|1,0,0]=3 6629 B13R1.14 COC(=O)CCC1CCN(CC1)[13CH3] 2230a_100000685932_200025704644 [0,2,0,0,0,0|1,0,0]=3 6630 B13R1.14 COC(=O)CCC1CCN(CC1)[13CH3] 269982a_100000685932_200025704644 [0,2,0,0,0,0|1,0,0]=3 6631 B13R1.14 COC(=O)CCC1CCN(CC1)[13CH3] 34a_100000685932_200025704644 [0,2,0,0,0,0|1,0,0]=3 6632 B13R1.14 COC(=O)CCN1CCC(CC1)C 2230a_100000188429_100000204255 [0,2,0,0,0,0|1,0,0]=3 6633 B13R1.14 COC(=O)CCN1CCC(CC1)C 269982a_100000188429_100000204255 [0,2,0,0,0,0|1,0,0]=3 6634 B13R1.14 COC(=O)CCN1CCC(CC1)C 34a_100000188429_100000742370 [0,2,0,0,0,0|1,0,0]=3 6635 B13R1.14 COC(=O)CCN1CCC(CC1)F 2230a_100015193889_100000204255 [0,2,0,0,0,0|1,0,0]=3 6636 B13R1.14 COC(=O)CCN1CCC(CC1)F 269982a_100015193889_100000204255 [0,2,0,0,0,0|1,0,0]=3 6637 B13R1.14 COC(=O)CCN1CCC(CC1)F 34a_100015193889_100000742370 [0,2,0,0,0,0|1,0,0]=3 6638 B13R1.14 COC(=O)CCN1CCC(CC1)O 2230a_100025773856_100000204255 [0,2,0,0,0,0|1,0,0]=3 6639 B13R1.14 COC(=O)CCN1CCC(CC1)O 269982a_100025773856_100000204255 [0,2,0,0,0,0|1,0,0]=3 6640 B13R1.14 COC(=O)CCN1CCN(CC1)C 2230a_100000188432_100000204255 [0,2,0,0,0,0|2,0,0]=4 6641 B13R1.14 COC(=O)CCN1CCN(CC1)C 269982a_100000188432_100000204255 [0,2,0,0,0,0|2,0,0]=4 6642 B13R1.14 COC(=O)CCN1CCN(CC1)C 269982a_100000744214_200000210301 [0,2,0,0,0,0|2,0,0]=4 6643 B13R1.14 COC(=O)CCN1CCN(CC1)[13CH3] 269982a_100000744214_200025704644 [0,2,0,0,0,0|2,0,0]=4 6644 B13R1.14 COC(=O)CCN1CCS(=O)CC1 2230a_100000752083_100000204255 [0,2,0,0,0,0|2,0,0]=4 6645 B13R1.14 COC(=O)CCN1CCS(=O)CC1 269982a_100000752083_100000204255 [0,2,0,0,0,0|2,0,0]=4 6646 B13R1.14 COC(=O)CN[C@H]1CC[C@@H](CC1)C 2230a_100020625639_100000747449 [0,2,0,0,0,0|1,0,0]=3 6647 B13R1.14 COC(=O)CN[C@H]1CC[C@@H](CC1)C 34a_100020625639_100000747449 [0,2,0,0,0,0|1,0,0]=3 6648 B13R1.14 COC(=O)COC1CCC(=O)CC1 34a_100000764474_100000747449 [0,2,0,0,0,0|1,0,1]=4 6649 B13R1.14 COC(=O)COC1CCC(=O)CC1 7a_100000764474_100000747449 [0,2,0,0,0,0|1,0,1]=4 6650 B13R1.14 COC(=O)COC1CCC(CC1)C 34a_100000210714_100000747449 [0,2,0,0,0,0|1,0,0]=3 6651 B13R1.14 COC(=O)COC1CCC(CC1)C 7a_100000210714_100000747449 [0,2,0,0,0,0|1,0,0]=3 6652 B13R1.14 COC(=O)COC1CCN(CC1)C 2230a_200020626035_200000210301 [0,2,0,0,0,0|2,0,0]=4 6653 B13R1.14 COC(=O)COC1CCN(CC1)C 269982a_200020626035_200000210301 [0,2,0,0,0,0|2,0,0]=4 6654 B13R1.14 COC(=O)COC1CCN(CC1)[13CH3] 2230a_200020626035_200025704644 [0,2,0,0,0,0|2,0,0]=4 6655 B13R1.14 COC(=O)COC1CCN(CC1)[13CH3] 269982a_200020626035_200025704644 [0,2,0,0,0,0|2,0,0]=4 6656 B13R1.14 COC(=O)CO[C@H]1CC[C@H](CC1)N 34a_100020628982_100000747449 [0,2,0,0,0,0|1,0,0]=3 6657 B13R1.14 COC(=O)CSC1CCC(CC1)C 62a_100000747449_200011216234 [0,2,0,0,0,0|1,0,0]=3 6658 B13R1.14 COC(=O)CSC1CCN(CC1)C 62a_100000747449_100011215917 [0,2,0,0,0,0|2,0,0]=4 6659 B13R1.132 CC1CCC(CC1)C(=O)CC(=O)N 1458a_100134613110_200011216234 [0,2,0,0,0,0|1,0,1]=4 6660 B13R1.132 CC1CCC(CC1)N(C)CC(=O)N 270004a_100000739694_100000185489 [0,2,0,0,0,0|2,0,0]=4 6661 B13R1.132 CC1CCC(CC1)N(C)CC(=O)O 269956a_100000746989_200011216234 [0,2,0,0,0,0|1,0,0]=3 6662 B13R1.132 CN(CC(=O)N)C1CCC(CC1)O 270004a_100000739694_100000764474 [0,2,0,0,0,0|2,0,0]=4 6663 B13R1.132 CN(CC(=O)N)[C@H]1CC[C@H](CC1)O 2230a_100020636401_100000747473 [0,2,0,0,0,0|2,0,0]=4 6664 B13R1.132 CN(CC(=O)N)[C@H]1CC[C@H](CC1)O 269982a_100020636401_100000187820 [0,2,0,0,0,0|2,0,0]=4 6665 B13R1.132 CN(CC(=O)[O-])[C@H]1CC[C@H](CC1)O 269982a_100020636401_100020667443 [0,2,0,0,0,0|1,0,1]=4 6666 B13R1.132 CN1CCC(CC1)N(C)CC(=O)O 269956a_100000746989_100011215917 [0,2,0,0,0,0|2,0,0]=4 6667 B13R1.132 CN1CCC(CC1)N(C)CC(=O)O 269956a_200015186378_200000210301 [0,2,0,0,0,0|2,0,0]=4 6668 B13R1.132 CN1CCC(CC1)N([13CH3])CC(=O)O 269956a_200015186378_200025704644 [0,2,0,0,0,0|2,0,0]=4 6669 B13R1.132 C[C@H]1CC[C@@H](CC1)C(=O)CC(=O)N 1458a_100009815934_100000187820 [0,2,0,0,0,0|1,0,1]=4 6670 B13R1.132 C[C@H]1CC[C@@H](CC1)C(=O)CC(=O)[O-] 1458a_100009815934_100020667443 [0,2,0,0,0,0|0,0,2]=4 6671 B13R1.132 NC(=O)CC(=O)C1CCC(CC1)O 1458a_100000743365_100000187820 [0,2,0,0,0,0|1,0,1]=4 6672 B13R1.132 O=C([O-])CC(=O)C1CCC(CC1)O 1458a_100000743365_100020667443 [0,2,0,0,0,0|0,0,2]=4 6673 B13R1.133 CC(=O)C(C)N[C@H]1CC[C@@H](CC1)C 2230a_100020625639_100009814033 [0,2,0,0,0,0|2,0,0]=4 6674 B13R1.133 CC(=O)C(C)OC1CCC(CC1)C 34a_100000212229_200011216234 [0,2,0,0,0,0|2,0,0]=4 6675 B13R1.133 CC(=O)C(C)OC1CCC(CC1)C 7a_100000210714_100000179758 [0,2,0,0,0,0|2,0,0]=4 6676 B13R1.133 CC(=O)C(C)SC1CCC(CC1)C 62a_100009814033_200011216234 [0,2,0,0,0,0|2,0,0]=4 6677 B13R1.133 CC(N[C@H]1CC[C@@H](CC1)C)C(=O)N 2230a_100020625639_100000702099 [0,2,0,0,0,0|2,0,0]=4 6678 B13R1.133 CC(N[C@H]1CC[C@@H](CC1)C)C(=O)N 34a_100020625639_100000702099 [0,2,0,0,0,0|2,0,0]=4 6679 B13R1.133 CC(O[C@H]1CC[C@H](CC1)N)C(=O)N 34a_100020628982_100000702099 [0,2,0,0,0,0|2,0,0]=4 6680 B13R1.133 CC1CCC(CC1)N[C@@H](C)C(=O)O 269956a_100000743915_200011216234 [0,2,0,0,0,0|1,0,0]=3 6681 B13R1.133 CC1CCC(CC1)N[C@H](C)C(=O)N 270004a_100000119354_100000185489 [0,2,0,0,0,0|2,0,0]=4 6682 B13R1.133 CC1CCC(CC1)N[C@H](C)C(=O)N 34a_100000119354_200011216234 [0,2,0,0,0,0|2,0,0]=4 6683 B13R1.133 CC1CCC(CC1)OC(C)C(=O)N 34a_100000210714_100000702099 [0,2,0,0,0,0|2,0,0]=4 6684 B13R1.133 CC1CCC(CC1)OC(C)C(=O)N 7a_100000210714_100000702099 [0,2,0,0,0,0|2,0,0]=4 6685 B13R1.133 CC1CCC(CC1)OC(F)C(=O)N 34a_100000210714_100009813875 [0,2,0,0,0,0|2,0,0]=4 6686 B13R1.133 CC1CCC(CC1)OC(F)C(=O)N 7a_100000210714_100009813875 [0,2,0,0,0,0|2,0,0]=4 6687 B13R1.133 CC1CCC(CC1)OC(F)C(=O)[O-] 34a_100000210714_100020610796 [0,2,0,0,0,0|1,0,1]=4 6688 B13R1.133 CC1CCC(CC1)O[C@H](C)C(=O)N 34a_100000731257_200011216234 [0,2,0,0,0,0|2,0,0]=4 6689 B13R1.133 CC1CCC(CC1)SC(C)C(=O)N 62a_100000702099_200011216234 [0,2,0,0,0,0|2,0,0]=4 6690 B13R1.133 CC1CCC(CC1)SC(F)C(=O)N 62a_100009813875_200011216234 [0,2,0,0,0,0|2,0,0]=4 6691 B13R1.133 CC1CCC(CC1)SC(F)C(=O)[O-] 62a_100020610796_200011216234 [0,2,0,0,0,0|1,0,1]=4 6692 B13R1.133 C[C@@H](NC1CCC(CC1)O)C(=O)N 270004a_100000119354_100000764474 [0,2,0,0,0,0|2,0,0]=4 6693 B13R1.133 C[C@H](NC1CCN(CC1)C)C(=O)O 269956a_100000743915_100011215917 [0,2,0,0,0,0|2,0,0]=4 6694 B13R1.133 C[C@H]1CC[C@@H](CC1)NC(F)C(=O)N 2230a_100020625639_100009813875 [0,2,0,0,0,0|2,0,0]=4 6695 B13R1.133 C[C@H]1CC[C@@H](CC1)NC(F)C(=O)N 34a_100020625639_100009813875 [0,2,0,0,0,0|2,0,0]=4 6696 B13R1.133 C[C@H]1CC[C@@H](CC1)NC(F)C(=O)[O-] 34a_100020625639_100020610796 [0,2,0,0,0,0|1,0,1]=4 6697 B13R1.133 NC(=O)C(F)O[C@H]1CC[C@H](CC1)N 34a_100020628982_100009813875 [0,2,0,0,0,0|2,0,0]=4 6698 B13R1.133 N[C@H]1CC[C@H](CC1)OC(F)C(=O)[O-] 34a_100020628982_100020610796 [0,2,0,0,0,0|1,0,1]=4 6699 B13R1.164 CC1CCC(C(C1)C)OCC(=O)N 34a_100011539931_100000187820 [0,2,0,0,0,0|2,0,0]=4 6700 B13R1.164 CC1CCC(C(C1)C)OCC(=O)N 7a_100011539931_100000187820 [0,2,0,0,0,0|2,0,0]=4 6701 B13R1.164 CC1CCC(C(C1)C)OCC(=O)[O-] 34a_100011539931_100020667443 [0,2,0,0,0,0|1,0,1]=4 6702 B13R1.341 CC(=O)CCN1CCC(CC1)(C)C 269982a_100000750138_100000053229 [0,2,0,0,0,0|2,0,0]=4 6703 B13R1.341 CC(=O)CCN1CCC(CC1)(C)O 269982a_100000690209_100000053229 [0,2,0,0,0,0|2,0,0]=4 6704 B13R1.341 CC(=O)CCN1CCC(CC1)(F)F 269982a_100000724815_100000053229 [0,2,0,0,0,0|2,0,0]=4 6705 B13R1.341 CC(=O)CCN1CCC(CC1)(O)O 269982a_100016987284_100000053229 [0,2,0,0,0,0|2,0,0]=4 6706 B13R1.341 CC(=O)COC1CCC(CC1)(F)F 34a_100000211253_100009865109 [0,2,0,0,0,0|2,0,0]=4 6707 B13R1.341 CC(=O)NCC1CCC(CC1)(F)F 11a_100016988479_100015343762 [0,2,0,0,0,0|2,0,0]=4 6708 B13R1.341 CC(=O)NCC1CCC(CC1)(F)F 1626a_100016988479_100015343762 [0,2,0,0,0,0|2,0,0]=4 6709 B13R1.341 CC(=O)NCC1CCC(CC1)(F)F 240690a_100016988479_100015343762 [0,2,0,0,0,0|2,0,0]=4 6710 B13R1.341 CC(=O)NCC1CCC(CC1)(F)F 527a_100016988479_100103153847 [0,2,0,0,0,0|2,0,0]=4 6711 B13R1.341 CC1(CCC(CC1)NCC(=O)N)C 2230a_100000757809_100000747473 [0,2,0,0,0,0|2,0,0]=4 6712 B13R1.341 CC1(CCC(CC1)NCC(=O)N)C 34a_100000757809_100000187820 [0,2,0,0,0,0|2,0,0]=4 6713 B13R1.341 CC1(CCC(CC1)NCC(=O)[O-])C 34a_100000757809_100020667443 [0,2,0,0,0,0|1,0,1]=4 6714 B13R1.341 CC1(CCC(CC1)OCC(=O)N)C 34a_100000703974_100000187820 [0,2,0,0,0,0|2,0,0]=4 6715 B13R1.341 CC1(CCC(CC1)OCC(=O)N)C 7a_100000703974_100000187820 [0,2,0,0,0,0|2,0,0]=4 6716 B13R1.341 CC1(CCC(CC1)OCC(=O)[O-])C 34a_100000703974_100020667443 [0,2,0,0,0,0|1,0,1]=4 6717 B13R1.341 CC1(CCN(CC1)CCC(=O)N)C 2230a_100000750138_100000744528 [0,2,0,0,0,0|2,0,0]=4 6718 B13R1.341 CC1(CCN(CC1)CCC(=O)N)C 269982a_100000750138_100000744528 [0,2,0,0,0,0|2,0,0]=4 6719 B13R1.341 CC1(CCN(CC1)CCC(=O)N)O 2230a_100000690209_100000744528 [0,2,0,0,0,0|2,0,0]=4 6720 B13R1.341 CC1(CCN(CC1)CCC(=O)N)O 269982a_100000690209_100000744528 [0,2,0,0,0,0|2,0,0]=4 6721 B13R1.341 C[C@@]1(CC[C@@H](CC1)NCC(=O)N)O 2230a_202125554758_100000747473 [0,2,0,0,0,0|2,0,0]=4 6722 B13R1.341 C[C@@]1(CC[C@@H](CC1)NCC(=O)N)O 34a_202125554758_100000187820 [0,2,0,0,0,0|2,0,0]=4 6723 B13R1.341 C[C@@]1(CC[C@@H](CC1)NCC(=O)[O-])O 34a_202125554758_100020667443 [0,2,0,0,0,0|1,0,1]=4 6724 B13R1.341 NC(=O)CCN1CCC(CC1)(F)F 2230a_100000724815_100000744528 [0,2,0,0,0,0|2,0,0]=4 6725 B13R1.341 NC(=O)CCN1CCC(CC1)(F)F 269982a_100000724815_100000744528 [0,2,0,0,0,0|2,0,0]=4 6726 B13R1.341 NC(=O)CCN1CCC(CC1)(F)F 34a_100000724815_100000731001 [0,2,0,0,0,0|2,0,0]=4 6727 B13R1.341 NC(=O)CCN1CCC(CC1)(O)O 269982a_100016987284_100000744528 [0,2,0,0,0,0|2,0,0]=4 6728 B13R1.341 NC(=O)CNC1CCC(CC1)(F)F 2230a_100000694335_100000747473 [0,2,0,0,0,0|2,0,0]=4 6729 B13R1.341 NC(=O)CNC1CCC(CC1)(F)F 34a_100000694335_100000187820 [0,2,0,0,0,0|2,0,0]=4 6730 B13R1.341 NC(=O)COC1CCC(CC1)(F)F 34a_100000098475_100000187820 [0,2,0,0,0,0|2,0,0]=4 6731 B13R1.341 NC(=O)COC1CCC(CC1)(F)F 7a_100000098475_100000187820 [0,2,0,0,0,0|2,0,0]=4 6732 B13R1.341 NC(=O)CSC1CCC(CC1)(F)F 62a_100000747473_100009865109 [0,2,0,0,0,0|2,0,0]=4 6733 B13R1.341 NC(=O)CSC1CCC(CC1)(F)F 62a_100009865109_100000747473 [0,2,0,0,0,0|2,0,0]=4 6734 B13R1.341 O=C(O)CNC1CCC(CC1)(F)F 269956a_100016091260_100009865109 [0,2,0,0,0,0|1,0,0]=3 6735 B13R1.341 O=C([O-])CNC1CCC(CC1)(F)F 34a_100000694335_100020667443 [0,2,0,0,0,0|1,0,1]=4 6736 B13R1.341 O=C([O-])COC1CCC(CC1)(F)F 34a_100000098475_100020667443 [0,2,0,0,0,0|1,0,1]=4 6737 B13R1.341 O=C([O-])CSC1CCC(CC1)(F)F 62a_100009865109_100020667443 [0,2,0,0,0,0|1,0,1]=4 6738 B13R1.341 O=C([O-])CSC1CCC(CC1)(F)F 62a_100020667443_100009865109 [0,2,0,0,0,0|1,0,1]=4 6739 B13R1.511 CC(=O)CCN1CCC(C(C1)C)O 269982a_100011998114_100000053229 [0,2,0,0,0,0|2,0,0]=4 6740 B13R1.511 CC(=O)CCN1CCC(C(C1)O)C 269982a_100000696640_100000053229 [0,2,0,0,0,0|2,0,0]=4 6741 B13R1.511 CC(=O)CCN1CC[C@H]([C@H](C1)F)O 269982a_200016994291_100000053229 [0,2,0,0,0,0|2,0,0]=4 6742 B13R1.511 CC(=O)CCN1CC[C@H]([C@H](C1)O)O 269982a_100000690696_100000053229 [0,2,0,0,0,0|2,0,0]=4 6743 B13R1.511 CC1CCC(CC1C)OCC(=O)N 34a_100011215933_100000187820 [0,2,0,0,0,0|2,0,0]=4 6744 B13R1.511 CC1CCC(CC1C)OCC(=O)N 7a_100011215933_100000187820 [0,2,0,0,0,0|2,0,0]=4 6745 B13R1.511 CC1CCC(CC1C)OCC(=O)[O-] 34a_100011215933_100020667443 [0,2,0,0,0,0|1,0,1]=4 6746 B13R1.511 CC1CCN(CC1O)CCC(=O)N 2230a_100000696640_100000744528 [0,2,0,0,0,0|2,0,0]=4 6747 B13R1.511 CC1CCN(CC1O)CCC(=O)N 269982a_100000696640_100000744528 [0,2,0,0,0,0|2,0,0]=4 6748 B13R1.511 CC1CN(CCC1O)CCC(=O)N 2230a_100011998114_100000744528 [0,2,0,0,0,0|2,0,0]=4 6749 B13R1.511 CC1CN(CCC1O)CCC(=O)N 269982a_100011998114_100000744528 [0,2,0,0,0,0|2,0,0]=4 6750 B13R1.511 NC(=O)CCN1CC[C@H]([C@H](C1)F)O 2230a_200016994291_100000744528 [0,2,0,0,0,0|2,0,0]=4 6751 B13R1.511 NC(=O)CCN1CC[C@H]([C@H](C1)F)O 269982a_200016994291_100000744528 [0,2,0,0,0,0|2,0,0]=4 6752 B13R1.511 NC(=O)CCN1CC[C@H]([C@H](C1)O)O 2230a_100000690696_100000744528 [0,2,0,0,0,0|2,0,0]=4 6753 B13R1.511 NC(=O)CCN1CC[C@H]([C@H](C1)O)O 269982a_100000690696_100000744528 [0,2,0,0,0,0|2,0,0]=4 6754 B13R1.514 C[C@@]1(CC[C@@H](CC1)N)OCC(=O)N 34a_202125554758_100000187820 [0,2,0,0,0,0|2,0,0]=4 6755 B13R1.514 C[C@@]1(CC[C@@H](CC1)N)OCC(=O)[O-] 34a_202125554758_100020667443 [0,2,0,0,0,0|1,0,1]=4 6756 B13R1.11 C#CC(=O)CC(=O)C1CCCCC1 1458a_100000211873_100000241979 [0,2,0,0,0,0|1,0,1]=4 6757 B13R1.11 C=CC(=O)CC(=O)C1CCCCC1 1458a_100000185746_100000241979 [0,2,0,0,0,0|1,0,1]=4 6758 B13R1.11 C=CC(=O)N[C@H](C)C1CCCCC1 1626a_100025707633_100000185746 [0,2,0,0,0,0|2,0,0]=4 6759 B13R1.11 C=CC(=O)N[C@H](C)C1CCCCC1 240690a_100025707633_200121576911 [0,2,0,0,0,0|2,0,0]=4 6760 B13R1.11 CC(CC(=O)CF)N1CCCCC1 1458a_100015187720_100015361967 [0,2,0,0,0,0|2,0,0]=4 6761 B13R1.11 CCC(=O)CC(=O)C1CCCCC1 1458a_100000210414_100000241979 [0,2,0,0,0,0|1,0,1]=4 6762 B13R1.11 CCC(=O)CC(=O)C1CCCCC1 1458a_100000210647_100000747405 [0,2,0,0,0,0|1,0,1]=4 6763 B13R1.11 CCC(=O)CC(C)N1CCCCC1 1458a_100015187720_100000210202 [0,2,0,0,0,0|2,0,0]=4 6764 B13R1.11 CCC(=O)CN(C)C1CCCCC1 269982a_100000207522_100000747405 [0,2,0,0,0,0|2,0,0]=4 6765 B13R1.11 CCC(=O)N[C@H](C)C1CCCCC1 11a_100025707633_100000210414 [0,2,0,0,0,0|2,0,0]=4 6766 B13R1.11 CCC(=O)N[C@H](C)C1CCCCC1 1626a_100025707633_100000210414 [0,2,0,0,0,0|2,0,0]=4 6767 B13R1.11 CCC(=O)N[C@H](C)C1CCCCC1 240690a_100025707633_100000210414 [0,2,0,0,0,0|2,0,0]=4 6768 B13R1.11 CCC(=O)N[C@H](C)C1CCCCC1 527a_100025707633_100000210414 [0,2,0,0,0,0|2,0,0]=4 6769 B13R1.11 CNC(=O)CC(=O)C1CCCCC1 1458a_100000210647_100000183359 [0,2,0,0,0,0|1,0,1]=4 6770 B13R1.11 CNC(=O)CC(C)N1CCCCC1 240690a_100102657272_100015187720 [0,2,0,0,0,0|2,0,0]=4 6771 B13R1.11 CNC(=O)CN(C)C1CCCCC1 2230a_100000207522_100000183359 [0,2,0,0,0,0|2,0,0]=4 6772 B13R1.11 CNC(=O)CN(C)C1CCCCC1 269982a_100000207522_100000183359 [0,2,0,0,0,0|2,0,0]=4 6773 B13R1.11 CNC(=O)CN(C)C1CCCCC1 270004a_100000189611_100000210434 [0,2,0,0,0,0|2,0,0]=4 6774 B13R1.11 CNC(=O)CN(C)C1CCCCC1 34a_100000207522_100000183359 [0,2,0,0,0,0|2,0,0]=4 6775 B13R1.11 CNC(=O)N[C@H](C)C1CCCCC1 2708a_100025707633_106832991635 [0,2,0,0,0,0|2,0,0]=4 6776 B13R1.11 CNC(=O)N[C@H](C)C1CCCCC1 2708a_100102657272_100025707633 [0,2,0,0,0,0|2,0,0]=4 6777 B13R1.11 CNC(=O)N[C@H](C)C1CCCCC1 273464a_100025707633_100102657272 [0,2,0,0,0,0|2,0,0]=4 6778 B13R1.11 CNC(=O)N[C@H](C)C1CCCCC1 273464a_100102657272_100025707633 [0,2,0,0,0,0|2,0,0]=4 6779 B13R1.11 CNC(=O)N[C@H](C)C1CCCCC1 512a_100025707633_100102657272 [0,2,0,0,0,0|2,0,0]=4 6780 B13R1.11 CNC(=O)N[C@H](C)C1CCCCC1 512a_106832991638_100025707633 [0,2,0,0,0,0|2,0,0]=4 6781 B13R1.11 COC(=O)CC(=O)C1CCCCC1 1458a_100000210647_100000747449 [0,2,0,0,0,0|0,0,1]=3 6782 B13R1.11 COC(=O)CC(=O)C1CCCCC1 1458a_100000211351_100000210327 [0,2,0,0,0,0|0,0,1]=3 6783 B13R1.11 COC(=O)CC(=O)C1CCCCO1 1458a_100000748299_100000747449 [0,2,0,0,0,0|1,0,1]=4 6784 B13R1.11 COC(=O)CC(=O)C1CCCOC1 1458a_100000211351_100000693364 [0,2,0,0,0,0|1,0,1]=4 6785 B13R1.11 COC(=O)CC(=O)C1CCCOC1 1458a_100000741522_100000747449 [0,2,0,0,0,0|1,0,1]=4 6786 B13R1.11 COC(=O)CC(=O)C1CCOCC1 1458a_100000195482_100000747449 [0,2,0,0,0,0|1,0,1]=4 6787 B13R1.11 COC(=O)CC(=O)C1CCOCC1 1458a_100000211351_100011324220 [0,2,0,0,0,0|1,0,1]=4 6788 B13R1.11 COC(=O)CC(=O)C1CCSCC1 1458a_100000755232_100000747449 [0,2,0,0,0,0|1,0,1]=4 6789 B13R1.11 COC(=O)CC(C)N1CCCOC1 2230a_100000131196_100009817358 [0,2,0,0,0,0|2,0,0]=4 6790 B13R1.11 COC(=O)CC(C)N1CCCOC1 269982a_100000131196_100009817358 [0,2,0,0,0,0|2,0,0]=4 6791 B13R1.11 COC(=O)CC(C)N1CCCOC1 34a_100000131196_100009817358 [0,2,0,0,0,0|2,0,0]=4 6792 B13R1.11 COC(=O)CC(C)N1CCOCC1 2230a_100015191051_100009817358 [0,2,0,0,0,0|2,0,0]=4 6793 B13R1.11 COC(=O)CC(C)N1CCOCC1 269982a_100015191051_100009817358 [0,2,0,0,0,0|2,0,0]=4 6794 B13R1.11 COC(=O)CC(C)N1CCOCC1 34a_100015191051_100009817358 [0,2,0,0,0,0|2,0,0]=4 6795 B13R1.11 COC(=O)CC(C)N1CCSCC1 2230a_100000737611_100009817358 [0,2,0,0,0,0|2,0,0]=4 6796 B13R1.11 COC(=O)CC(C)N1CCSCC1 269982a_100000737611_100009817358 [0,2,0,0,0,0|2,0,0]=4 6797 B13R1.11 COC(=O)CN(C)C1CCCCC1 2230a_100000207522_100000747449 [0,2,0,0,0,0|1,0,0]=3 6798 B13R1.11 COC(=O)CN(C)C1CCCCC1 269982a_100000207522_100000747449 [0,2,0,0,0,0|1,0,0]=3 6799 B13R1.11 COC(=O)CN(C)C1CCCCC1 270004a_100000198492_100000210434 [0,2,0,0,0,0|1,0,0]=3 6800 B13R1.11 COC(=O)CN(C)C1CCCCC1 34a_100000207522_100000747449 [0,2,0,0,0,0|1,0,0]=3 6801 B13R1.11 COC(=O)CN(C)C1CCCOC1 270004a_100000198492_100000753404 [0,2,0,0,0,0|2,0,0]=4 6802 B13R1.11 COC(=O)CN(C)C1CCCSC1 270004a_100000198492_100000057913 [0,2,0,0,0,0|2,0,0]=4 6803 B13R1.11 COC(=O)CN(C)C1CCNCC1 270004a_100000198492_100015192401 [0,2,0,0,0,0|2,0,0]=4 6804 B13R1.11 COC(=O)CN(C)C1CCOCC1 2230a_100020587155_100000747449 [0,2,0,0,0,0|2,0,0]=4 6805 B13R1.11 COC(=O)CN(C)C1CCOCC1 269982a_100020587155_100000747449 [0,2,0,0,0,0|2,0,0]=4 6806 B13R1.11 COC(=O)CN(C)C1CCOCC1 270004a_100000198492_100011217826 [0,2,0,0,0,0|2,0,0]=4 6807 B13R1.11 COC(=O)CN(C)C1CCOCC1 34a_100020587155_100000747449 [0,2,0,0,0,0|2,0,0]=4 6808 B13R1.11 COC(=O)CN(C)C1CCSCC1 2230a_100015184757_100000747449 [0,2,0,0,0,0|2,0,0]=4 6809 B13R1.11 COC(=O)CN(C)C1CCSCC1 269982a_100015184757_100000747449 [0,2,0,0,0,0|2,0,0]=4 6810 B13R1.11 COC(=O)CN(C)C1CCSCC1 270004a_100000198492_100000203788 [0,2,0,0,0,0|2,0,0]=4 6811 B13R1.11 COC(=O)CN(C)C1CCSCC1 34a_100015184757_100000747449 [0,2,0,0,0,0|2,0,0]=4 6812 B13R1.11 C[C@@H](NC(=O)CO)C1CCCCC1 240690a_100025707633_100000210174 [0,2,0,0,0,0|1,0,0]=3 6813 B13R1.11 C[C@@H](NC(=O)CO)C1CCCCC1 527a_100025707633_100000210174 [0,2,0,0,0,0|1,0,0]=3 6814 B13R1.11 O=C(CO)CC(=O)C1CCCCC1 1458a_100000210174_100000241979 [0,2,0,0,0,0|0,0,1]=3 6815 B13R1.11 O=C(CO)CC(=O)C1CCOCC1 1458a_100000210174_100000689883 [0,2,0,0,0,0|1,0,1]=4 6816 B13R1.11 O=C(CO)CC(=O)N1CCCCC1 1458a_100000210174_100000183409 [0,2,0,0,0,0|1,0,1]=4 6817 B13R1.15 C#CC(=O)CCN1CCCC(C1)C 1458a_100000211873_100000766211 [0,2,0,0,0,0|2,0,0]=4 6818 B13R1.15 C=CC(=O)CCN1CCCC(C1)C 1458a_100000185746_100000766211 [0,2,0,0,0,0|2,0,0]=4 6819 B13R1.15 C=CC(=O)NCC1CCCC(C1)O 1626a_100011254705_100000185746 [0,2,0,0,0,0|2,0,0]=4 6820 B13R1.15 C=CC(=O)NCC1CCCC(C1)O 240690a_100011254705_200121576911 [0,2,0,0,0,0|2,0,0]=4 6821 B13R1.15 CC1CCCN(C1)CCC(=O)CF 1458a_200000177587_100015361967 [0,2,0,0,0,0|2,0,0]=4 6822 B13R1.15 CC1CCCN(C1)CCC(=O)CO 1458a_100000210174_100000766211 [0,2,0,0,0,0|1,0,0]=3 6823 B13R1.15 CCC(=O)CCC1CCCN(C1)C 1458a_100015186358_100000210202 [0,2,0,0,0,0|2,0,0]=4 6824 B13R1.15 CCC(=O)CCN1CCCC(C1)C 1458a_100000210414_100000766211 [0,2,0,0,0,0|2,0,0]=4 6825 B13R1.15 CCC(=O)CCN1CCCC(C1)C 1458a_200000177587_100000210202 [0,2,0,0,0,0|2,0,0]=4 6826 B13R1.15 CCC(=O)NCC1CCCC(C1)O 1626a_100011254705_100000210414 [0,2,0,0,0,0|2,0,0]=4 6827 B13R1.15 CCC(=O)NCC1CCCC(C1)O 240690a_100011254705_100000210414 [0,2,0,0,0,0|2,0,0]=4 6828 B13R1.15 CCC(=O)NCC1CCCC(C1)O 527a_100011254705_100000210414 [0,2,0,0,0,0|2,0,0]=4 6829 B13R1.15 CN1CCCC(C1)CCC(=O)CF 1458a_100015186358_100015361967 [0,2,0,0,0,0|2,0,0]=4 6830 B13R1.15 CN1CCC[C@H](C1)CNC(=O)CO 240690a_100016993746_100000210174 [0,2,0,0,0,0|2,0,0]=4 6831 B13R1.15 CN1CCC[C@H](C1)CNC(=O)CO 527a_100016993746_100000210174 [0,2,0,0,0,0|2,0,0]=4 6832 B13R1.15 CNC(=O)CCC1CCCN(C1)C 11a_106832991635_100015186358 [0,2,0,0,0,0|2,0,0]=4 6833 B13R1.15 CNC(=O)CCC1CCCN(C1)C 2230a_100015187509_200000210301 [0,2,0,0,0,0|2,0,0]=4 6834 B13R1.15 CNC(=O)CCC1CCCN(C1)C 240690a_100102657272_100015186358 [0,2,0,0,0,0|2,0,0]=4 6835 B13R1.15 CNC(=O)CCC1CCCN(C1)C 269982a_100015187509_200000210301 [0,2,0,0,0,0|2,0,0]=4 6836 B13R1.15 CNC(=O)CCC1CCCN(C1)C 34a_100015187509_200000210301 [0,2,0,0,0,0|2,0,0]=4 6837 B13R1.15 CNC(=O)CCC1CCCN(C1)C 527a_100102657272_100015186358 [0,2,0,0,0,0|2,0,0]=4 6838 B13R1.15 CNC(=O)CCC1CCCN(C1)[13CH3] 2230a_100015187509_200025704644 [0,2,0,0,0,0|2,0,0]=4 6839 B13R1.15 CNC(=O)CCC1CCCN(C1)[13CH3] 269982a_100015187509_200025704644 [0,2,0,0,0,0|2,0,0]=4 6840 B13R1.15 CNC(=O)CCC1CCCN(C1)[13CH3] 34a_100015187509_200025704644 [0,2,0,0,0,0|2,0,0]=4 6841 B13R1.15 CNC(=O)CCN1CCCC(C1)C 240690a_100102657272_200000177587 [0,2,0,0,0,0|2,0,0]=4 6842 B13R1.15 CNC(=O)CCN1CCCC(C1)F 2230a_100000697950_100000737683 [0,2,0,0,0,0|2,0,0]=4 6843 B13R1.15 CNC(=O)CCN1CCCC(C1)F 269982a_100000697950_100000737683 [0,2,0,0,0,0|2,0,0]=4 6844 B13R1.15 CNC(=O)CCN1CCCC(C1)F 34a_100000697950_100012179268 [0,2,0,0,0,0|2,0,0]=4 6845 B13R1.15 CNC(=O)CCN1CCCC(C1)O 2230a_100000211013_100000737683 [0,2,0,0,0,0|2,0,0]=4 6846 B13R1.15 CNC(=O)CCN1CCCC(C1)O 269982a_100000211013_100000737683 [0,2,0,0,0,0|2,0,0]=4 6847 B13R1.15 CNC(=O)CCN1CCC[C@@H](C1)C 2230a_100000717927_100000737683 [0,2,0,0,0,0|2,0,0]=4 6848 B13R1.15 CNC(=O)CCN1CCC[C@@H](C1)C 269982a_100000717927_100000737683 [0,2,0,0,0,0|2,0,0]=4 6849 B13R1.15 CNC(=O)CCN1CCC[C@@H](C1)C 34a_100000717927_100012179268 [0,2,0,0,0,0|2,0,0]=4 6850 B13R1.15 CNC(=O)CNC1CCCC(C1)C 2230a_100011194320_100000183359 [0,2,0,0,0,0|2,0,0]=4 6851 B13R1.15 CNC(=O)CNC1CCCC(C1)C 270004a_100000693194_100000183594 [0,2,0,0,0,0|2,0,0]=4 6852 B13R1.15 CNC(=O)CNC1CCCC(C1)C 34a_100011194320_100000183359 [0,2,0,0,0,0|2,0,0]=4 6853 B13R1.15 CNC(=O)CNC1CCCC(C1)O 2230a_100015190357_100000183359 [0,2,0,0,0,0|2,0,0]=4 6854 B13R1.15 CNC(=O)CNC1CCCC(C1)O 270004a_100000693194_100012613340 [0,2,0,0,0,0|2,0,0]=4 6855 B13R1.15 CNC(=O)COC1CCCC(C1)C 34a_100000211399_100000183359 [0,2,0,0,0,0|2,0,0]=4 6856 B13R1.15 CNC(=O)NCC1CCCC(C1)O 2708a_100011254705_106832991635 [0,2,0,0,0,0|2,0,0]=4 6857 B13R1.15 CNC(=O)NCC1CCCC(C1)O 2708a_100102657272_100011254705 [0,2,0,0,0,0|2,0,0]=4 6858 B13R1.15 CNC(=O)NCC1CCCC(C1)O 273464a_100011254705_100102657272 [0,2,0,0,0,0|2,0,0]=4 6859 B13R1.15 CNC(=O)NCC1CCCC(C1)O 273464a_100102657272_100011254705 [0,2,0,0,0,0|2,0,0]=4 6860 B13R1.15 CNC(=O)NCC1CCCC(C1)O 512a_100011254705_100102657272 [0,2,0,0,0,0|2,0,0]=4 6861 B13R1.15 CNC(=O)NCC1CCCC(C1)O 512a_106832991638_100011254705 [0,2,0,0,0,0|2,0,0]=4 6862 B13R1.15 COC(=O)CCC1CCCN(C1)C 2230a_100015184279_200000210301 [0,2,0,0,0,0|1,0,0]=3 6863 B13R1.15 COC(=O)CCC1CCCN(C1)C 269982a_100015184279_200000210301 [0,2,0,0,0,0|1,0,0]=3 6864 B13R1.15 COC(=O)CCC1CCCN(C1)C 34a_100015184279_200000210301 [0,2,0,0,0,0|1,0,0]=3 6865 B13R1.15 COC(=O)CCC1CCCN(C1)[13CH3] 2230a_100015184279_200025704644 [0,2,0,0,0,0|1,0,0]=3 6866 B13R1.15 COC(=O)CCC1CCCN(C1)[13CH3] 269982a_100015184279_200025704644 [0,2,0,0,0,0|1,0,0]=3 6867 B13R1.15 COC(=O)CCC1CCCN(C1)[13CH3] 34a_100015184279_200025704644 [0,2,0,0,0,0|1,0,0]=3 6868 B13R1.15 COC(=O)CCN1CCCC(C1)F 2230a_100000697950_100000204255 [0,2,0,0,0,0|1,0,0]=3 6869 B13R1.15 COC(=O)CCN1CCCC(C1)F 269982a_100000697950_100000204255 [0,2,0,0,0,0|1,0,0]=3 6870 B13R1.15 COC(=O)CCN1CCCC(C1)F 34a_100000697950_100000742370 [0,2,0,0,0,0|1,0,0]=3 6871 B13R1.15 COC(=O)CCN1CCCC(C1)O 2230a_100000211013_100000204255 [0,2,0,0,0,0|1,0,0]=3 6872 B13R1.15 COC(=O)CCN1CCCC(C1)O 269982a_100000211013_100000204255 [0,2,0,0,0,0|1,0,0]=3 6873 B13R1.15 COC(=O)CCN1CCC[C@@H](C1)C 2230a_100000717927_100000204255 [0,2,0,0,0,0|1,0,0]=3 6874 B13R1.15 COC(=O)CCN1CCC[C@@H](C1)C 269982a_100000717927_100000204255 [0,2,0,0,0,0|1,0,0]=3 6875 B13R1.15 COC(=O)CCN1CCC[C@@H](C1)C 34a_100000717927_100000742370 [0,2,0,0,0,0|1,0,0]=3 6876 B13R1.15 COC(=O)CCN1CCOC(C1)C 2230a_100000729577_100000204255 [0,2,0,0,0,0|2,0,0]=4 6877 B13R1.15 COC(=O)CCN1CCOC(C1)C 269982a_100000729577_100000204255 [0,2,0,0,0,0|2,0,0]=4 6878 B13R1.15 COC(=O)CCN1CCOC(C1)C 34a_100000729577_100000742370 [0,2,0,0,0,0|2,0,0]=4 6879 B13R1.15 COC(=O)CCN1CCOC(C1)O 2230a_100000688207_100000204255 [0,2,0,0,0,0|2,0,0]=4 6880 B13R1.15 COC(=O)CCN1CCOC(C1)O 269982a_100000688207_100000204255 [0,2,0,0,0,0|2,0,0]=4 6881 B13R1.15 COC(=O)CNC1CCCC(C1)C 2230a_100011194320_100000747449 [0,2,0,0,0,0|1,0,0]=3 6882 B13R1.15 COC(=O)CNC1CCCC(C1)C 34a_100011194320_100000747449 [0,2,0,0,0,0|1,0,0]=3 6883 B13R1.15 COC(=O)CNC1CCCC(C1)O 2230a_100015190357_100000747449 [0,2,0,0,0,0|1,0,0]=3 6884 B13R1.15 COC(=O)COC1CCCC(=O)C1 34a_100012613340_100000747449 [0,2,0,0,0,0|1,0,1]=4 6885 B13R1.15 COC(=O)COC1CCCC(C1)C 34a_100000211399_100000747449 [0,2,0,0,0,0|1,0,0]=3 6886 B13R1.15 COC(=O)COC1CCOC(C1)C 34a_100011986385_100000747449 [0,2,0,0,0,0|2,0,0]=4 6887 B13R1.15 COC(=O)COC1CCOC(C1)C 7a_100011986385_100000747449 [0,2,0,0,0,0|2,0,0]=4 6888 B13R1.15 O=C(CO)NCC1CCCC(C1)O 240690a_100011254705_100000210174 [0,2,0,0,0,0|1,0,0]=3 6889 B13R1.15 O=C(CO)NCC1CCCC(C1)O 527a_100011254705_100000210174 [0,2,0,0,0,0|1,0,0]=3 6890 B13R1.42 C#CCC(=O)CCC1CCCCC1 1458a_100000211375_100000184674 [0,2,0,0,0,0|1,0,0]=3 6891 B13R1.42 C#CCC(=O)CCC1CCCCC1 1458a_100011220946_100011273959 [0,2,0,0,0,0|1,0,0]=3 6892 B13R1.42 C#CCC(=O)CCC1CCOCC1 1458a_100011220946_100011934994 [0,2,0,0,0,0|2,0,0]=4 6893 B13R1.42 C#CCC(=O)CCN1CCCCC1 1458a_100000743487_100000184674 [0,2,0,0,0,0|2,0,0]=4 6894 B13R1.42 C#CCC(=O)CCN1CCCCC1 1458a_100011220946_100000739454 [0,2,0,0,0,0|2,0,0]=4 6895 B13R1.42 C#CCC(=O)COC1CCCCC1 1458a_100011220946_100011935260 [0,2,0,0,0,0|2,0,0]=4 6896 B13R1.42 C#CCC(=O)COC1CCCCC1 1458a_100011223303_100000184674 [0,2,0,0,0,0|2,0,0]=4 6897 B13R1.42 C#CCC(=O)NCC1CCCCC1 1626a_100000210473_100011220946 [0,2,0,0,0,0|2,0,0]=4 6898 B13R1.42 C#CCC(=O)NCC1CCCCC1 527a_100000210473_100011220946 [0,2,0,0,0,0|2,0,0]=4 6899 B13R1.42 C=CCC(=O)CCC1CCCCC1 1458a_100000210193_100011273959 [0,2,0,0,0,0|1,0,0]=3 6900 B13R1.42 C=CCC(=O)CCC1CCCCC1 1458a_100000211375_100000210623 [0,2,0,0,0,0|1,0,0]=3 6901 B13R1.42 C=CCC(=O)CCC1CCOCC1 1458a_100000210193_100011934994 [0,2,0,0,0,0|2,0,0]=4 6902 B13R1.42 C=CCC(=O)CCN1CCCCC1 1458a_100000210193_100000739454 [0,2,0,0,0,0|2,0,0]=4 6903 B13R1.42 C=CCC(=O)CCN1CCCCC1 1458a_100000743487_100000210623 [0,2,0,0,0,0|2,0,0]=4 6904 B13R1.42 C=CCC(=O)COC1CCCCC1 1458a_100000210193_100011935260 [0,2,0,0,0,0|2,0,0]=4 6905 B13R1.42 C=CCC(=O)COC1CCCCC1 1458a_100011223303_100000210623 [0,2,0,0,0,0|2,0,0]=4 6906 B13R1.42 C=CCC(=O)NCC1CCCCC1 11a_100000210473_100000210193 [0,2,0,0,0,0|2,0,0]=4 6907 B13R1.42 C=CCC(=O)NCC1CCCCC1 1626a_100000210473_100000210193 [0,2,0,0,0,0|2,0,0]=4 6908 B13R1.42 C=CCC(=O)NCC1CCCCC1 240690a_100000210473_100000210193 [0,2,0,0,0,0|2,0,0]=4 6909 B13R1.42 C=CCC(=O)NCC1CCCCC1 527a_100000210473_100000210193 [0,2,0,0,0,0|2,0,0]=4 6910 B13R1.42 C=COC(=O)CNC1CCCCC1 2230a_100000182618_100000036128 [0,2,0,0,0,0|1,0,0]=3 6911 B13R1.42 C=COC(=O)CNC1CCCCC1 34a_100000182618_100000036128 [0,2,0,0,0,0|1,0,0]=3 6912 B13R1.42 C=COC(=O)CNC1CCCOC1 2230a_100000719290_100000036128 [0,2,0,0,0,0|2,0,0]=4 6913 B13R1.42 C=COC(=O)CNC1CCCOC1 34a_100000719290_100000036128 [0,2,0,0,0,0|2,0,0]=4 6914 B13R1.42 C=COC(=O)CNC1CCOCC1 2230a_100000741149_100000036128 [0,2,0,0,0,0|2,0,0]=4 6915 B13R1.42 C=COC(=O)CNC1CCOCC1 34a_100000741149_100000036128 [0,2,0,0,0,0|2,0,0]=4 6916 B13R1.42 C=COC(=O)CNC1CCSCC1 2230a_100000748639_100000036128 [0,2,0,0,0,0|2,0,0]=4 6917 B13R1.42 C=COC(=O)CNC1CCSCC1 34a_100000748639_100000036128 [0,2,0,0,0,0|2,0,0]=4 6918 B13R1.42 C=COC(=O)COC1CCCCC1 34a_100000210231_100000036128 [0,2,0,0,0,0|1,0,0]=3 6919 B13R1.42 C=COC(=O)COC1CCCCO1 34a_100000033831_100000036128 [0,2,0,0,0,0|2,0,0]=4 6920 B13R1.42 C=COC(=O)COC1CCCOC1 34a_100000754041_100000036128 [0,2,0,0,0,0|2,0,0]=4 6921 B13R1.42 C=COC(=O)COC1CCOCC1 34a_100000744328_100000036128 [0,2,0,0,0,0|2,0,0]=4 6922 B13R1.42 C=COC(=O)COC1CCSCC1 34a_100000731022_100000036128 [0,2,0,0,0,0|2,0,0]=4 6923 B13R1.42 C=COC(=O)CSC1CCCCC1 62a_100000036128_100000210327 [0,2,0,0,0,0|1,0,0]=3 6924 B13R1.42 C=COC(=O)CSC1CCCCC1 62a_100000210327_100000036128 [0,2,0,0,0,0|1,0,0]=3 6925 B13R1.42 C=COC(=O)CSC1CCCOC1 62a_100000036128_100000693364 [0,2,0,0,0,0|2,0,0]=4 6926 B13R1.42 C=COC(=O)CSC1CCOCC1 62a_100000036128_100011324220 [0,2,0,0,0,0|2,0,0]=4 6927 B13R1.42 C=COC(=O)CSC1CCSCC1 62a_100000036128_100000069128 [0,2,0,0,0,0|2,0,0]=4 6928 B13R1.42 CC#CC(=O)CCC1CCCCC1 1458a_100000763181_100011273959 [0,2,0,0,0,0|1,0,0]=3 6929 B13R1.42 CC#CC(=O)CCC1CCOCC1 1458a_100000763181_100011934994 [0,2,0,0,0,0|2,0,0]=4 6930 B13R1.42 CC#CC(=O)CCN1CCCCC1 1458a_100000763181_100000739454 [0,2,0,0,0,0|2,0,0]=4 6931 B13R1.42 CC#CC(=O)COC1CCCCC1 1458a_100000763181_100011935260 [0,2,0,0,0,0|2,0,0]=4 6932 B13R1.42 CC=CC(=O)CCC1CCCCC1 1458a_100000210699_100011273959 [0,2,0,0,0,0|1,0,0]=3 6933 B13R1.42 CC=CC(=O)CCC1CCOCC1 1458a_100000210699_100011934994 [0,2,0,0,0,0|2,0,0]=4 6934 B13R1.42 CC=CC(=O)CCN1CCCCC1 1458a_100000210699_100000739454 [0,2,0,0,0,0|2,0,0]=4 6935 B13R1.42 CC=CC(=O)COC1CCCCC1 1458a_100000210699_100011935260 [0,2,0,0,0,0|2,0,0]=4 6936 B13R1.42 CC=CC(=O)NCC1CCCCC1 11a_100000210473_100000210699 [0,2,0,0,0,0|2,0,0]=4 6937 B13R1.42 CC=CC(=O)NCC1CCCCC1 1626a_100000210473_100000210699 [0,2,0,0,0,0|2,0,0]=4 6938 B13R1.42 CC=CC(=O)NCC1CCCCC1 240690a_100000210473_100000210699 [0,2,0,0,0,0|2,0,0]=4 6939 B13R1.42 CCCC(=O)CCC1CCCCC1 1458a_100000211375_100000210303 [0,2,0,0,0,0|1,0,0]=3 6940 B13R1.42 CCCC(=O)CCC1CCCCC1 1458a_100000211992_100011273959 [0,2,0,0,0,0|1,0,0]=3 6941 B13R1.42 CCCC(=O)CCC1CCOCC1 1458a_100000211992_100011934994 [0,2,0,0,0,0|2,0,0]=4 6942 B13R1.42 CCCC(=O)CCN1CCCCC1 1458a_100000211992_100000739454 [0,2,0,0,0,0|2,0,0]=4 6943 B13R1.42 CCCC(=O)CCN1CCCCC1 1458a_100000743487_100000210303 [0,2,0,0,0,0|2,0,0]=4 6944 B13R1.42 CCCC(=O)CNC1CCCCC1 2230a_100000182618_100000747444 [0,2,0,0,0,0|2,0,0]=4 6945 B13R1.42 CCCC(=O)COC1CCCCC1 1458a_100000211992_100011935260 [0,2,0,0,0,0|2,0,0]=4 6946 B13R1.42 CCCC(=O)COC1CCCCC1 1458a_100011223303_100000210303 [0,2,0,0,0,0|2,0,0]=4 6947 B13R1.42 CCCC(=O)COC1CCCCC1 7a_100000210231_100000747444 [0,2,0,0,0,0|2,0,0]=4 6948 B13R1.42 CCCC(=O)CSC1CCCCC1 62a_100000210327_100000747444 [0,2,0,0,0,0|2,0,0]=4 6949 B13R1.42 CCCC(=O)CSC1CCCCC1 62a_100000747444_100000210327 [0,2,0,0,0,0|2,0,0]=4 6950 B13R1.42 CCCC(=O)NCC1CCCCC1 11a_100000210473_100000211992 [0,2,0,0,0,0|2,0,0]=4 6951 B13R1.42 CCCC(=O)NCC1CCCCC1 1626a_100000210473_100000211992 [0,2,0,0,0,0|2,0,0]=4 6952 B13R1.42 CCCC(=O)NCC1CCCCC1 240690a_100000210473_100000211992 [0,2,0,0,0,0|2,0,0]=4 6953 B13R1.42 CCCC(=O)NCC1CCCCC1 527a_100000210473_100000211992 [0,2,0,0,0,0|2,0,0]=4 6954 B13R1.42 CCNC(=O)CCC1CCCCC1 11a_100015525214_100000211375 [0,2,0,0,0,0|1,0,0]=3 6955 B13R1.42 CCNC(=O)CCC1CCCCC1 240690a_100015525214_100000211375 [0,2,0,0,0,0|1,0,0]=3 6956 B13R1.42 CCNC(=O)CCC1CCCCC1 527a_100015525214_100000211375 [0,2,0,0,0,0|1,0,0]=3 6957 B13R1.42 CCNC(=O)CCN1CCCCC1 240690a_100015525214_100000743487 [0,2,0,0,0,0|2,0,0]=4 6958 B13R1.42 CCNC(=O)CNC1CCCCC1 2230a_100000182618_100000183381 [0,2,0,0,0,0|2,0,0]=4 6959 B13R1.42 CCNC(=O)CNC1CCCCC1 270004a_100016988866_100000210434 [0,2,0,0,0,0|2,0,0]=4 6960 B13R1.42 CCNC(=O)CNC1CCCCC1 34a_100000182618_100000183381 [0,2,0,0,0,0|2,0,0]=4 6961 B13R1.42 CCNC(=O)COC1CCCCC1 11a_100015525214_100011223303 [0,2,0,0,0,0|2,0,0]=4 6962 B13R1.42 CCNC(=O)COC1CCCCC1 240690a_100015525214_100011223303 [0,2,0,0,0,0|2,0,0]=4 6963 B13R1.42 CCNC(=O)COC1CCCCC1 34a_100000210231_100000183381 [0,2,0,0,0,0|2,0,0]=4 6964 B13R1.42 CCNC(=O)COC1CCCCC1 527a_100015525214_100011223303 [0,2,0,0,0,0|2,0,0]=4 6965 B13R1.42 CCNC(=O)COC1CCCCC1 7a_100000210231_100000183381 [0,2,0,0,0,0|2,0,0]=4 6966 B13R1.42 CCNC(=O)CSC1CCCCC1 62a_100000183381_100000210327 [0,2,0,0,0,0|2,0,0]=4 6967 B13R1.42 CCNC(=O)CSC1CCCCC1 62a_100000210327_100000183381 [0,2,0,0,0,0|2,0,0]=4 6968 B13R1.42 CCNC(=O)NCC1CCCCC1 2708a_100000210473_100015525214 [0,2,0,0,0,0|2,0,0]=4 6969 B13R1.42 CCNC(=O)NCC1CCCCC1 2708a_100015525214_100000210473 [0,2,0,0,0,0|2,0,0]=4 6970 B13R1.42 CCNC(=O)NCC1CCCCC1 273464a_100000210473_100015525214 [0,2,0,0,0,0|2,0,0]=4 6971 B13R1.42 CCNC(=O)NCC1CCCCC1 273464a_100015525214_100000210473 [0,2,0,0,0,0|2,0,0]=4 6972 B13R1.42 CCNC(=O)NCC1CCCCC1 512a_100015525214_100000210473 [0,2,0,0,0,0|2,0,0]=4 6973 B13R1.42 CCOC(=O)CCN1CCCOC1 2230a_100000131196_100011206558 [0,2,0,0,0,0|2,0,0]=4 6974 B13R1.42 CCOC(=O)CCN1CCCOC1 269982a_100000131196_100011206558 [0,2,0,0,0,0|2,0,0]=4 6975 B13R1.42 CCOC(=O)CCN1CCCOC1 34a_100000131196_100000765890 [0,2,0,0,0,0|2,0,0]=4 6976 B13R1.42 CCOC(=O)CCN1CCOCC1 2230a_100015191051_100011206558 [0,2,0,0,0,0|2,0,0]=4 6977 B13R1.42 CCOC(=O)CCN1CCOCC1 269982a_100015191051_100011206558 [0,2,0,0,0,0|2,0,0]=4 6978 B13R1.42 CCOC(=O)CCN1CCOCC1 34a_100015191051_100000765890 [0,2,0,0,0,0|2,0,0]=4 6979 B13R1.42 CCOC(=O)CCN1CCSCC1 2230a_100000737611_100011206558 [0,2,0,0,0,0|2,0,0]=4 6980 B13R1.42 CCOC(=O)CCN1CCSCC1 269982a_100000737611_100011206558 [0,2,0,0,0,0|2,0,0]=4 6981 B13R1.42 CCOC(=O)CNC1CCCCC1 2230a_100000182618_100000188475 [0,2,0,0,0,0|1,0,0]=3 6982 B13R1.42 CCOC(=O)CNC1CCCCC1 34a_100000182618_100000188475 [0,2,0,0,0,0|1,0,0]=3 6983 B13R1.42 CCOC(=O)CNC1CCCOC1 2230a_100000719290_100000188475 [0,2,0,0,0,0|2,0,0]=4 6984 B13R1.42 CCOC(=O)CNC1CCCOC1 34a_100000719290_100000188475 [0,2,0,0,0,0|2,0,0]=4 6985 B13R1.42 CCOC(=O)CNC1CCOCC1 2230a_100000741149_100000188475 [0,2,0,0,0,0|2,0,0]=4 6986 B13R1.42 CCOC(=O)CNC1CCOCC1 34a_100000741149_100000188475 [0,2,0,0,0,0|2,0,0]=4 6987 B13R1.42 CCOC(=O)CNC1CCSCC1 2230a_100000748639_100000188475 [0,2,0,0,0,0|2,0,0]=4 6988 B13R1.42 CCOC(=O)CNC1CCSCC1 34a_100000748639_100000188475 [0,2,0,0,0,0|2,0,0]=4 6989 B13R1.42 CCOC(=O)COC1CCCCC1 34a_100000210231_100000188475 [0,2,0,0,0,0|1,0,0]=3 6990 B13R1.42 CCOC(=O)COC1CCCCC1 7a_100000210231_100000188475 [0,2,0,0,0,0|1,0,0]=3 6991 B13R1.42 CCOC(=O)COC1CCCCO1 34a_100000033831_100000188475 [0,2,0,0,0,0|2,0,0]=4 6992 B13R1.42 CCOC(=O)COC1CCCOC1 34a_100000754041_100000188475 [0,2,0,0,0,0|2,0,0]=4 6993 B13R1.42 CCOC(=O)COC1CCCSC1 7a_100015962668_100000188475 [0,2,0,0,0,0|2,0,0]=4 6994 B13R1.42 CCOC(=O)COC1CCOCC1 34a_100000744328_100000188475 [0,2,0,0,0,0|2,0,0]=4 6995 B13R1.42 CCOC(=O)COC1CCSCC1 34a_100000731022_100000188475 [0,2,0,0,0,0|2,0,0]=4 6996 B13R1.42 CCOC(=O)COC1CCSCC1 7a_100000731022_100000188475 [0,2,0,0,0,0|2,0,0]=4 6997 B13R1.42 CCOC(=O)CSC1CCCCC1 62a_100000188475_100000210327 [0,2,0,0,0,0|1,0,0]=3 6998 B13R1.42 CCOC(=O)CSC1CCCCC1 62a_100000210327_100000188475 [0,2,0,0,0,0|1,0,0]=3 6999 B13R1.42 CCOC(=O)CSC1CCCOC1 62a_100000188475_100000693364 [0,2,0,0,0,0|2,0,0]=4 7000 B13R1.42 CCOC(=O)CSC1CCOCC1 62a_100000188475_100011324220 [0,2,0,0,0,0|2,0,0]=4 7001 B13R1.42 CCOC(=O)CSC1CCSCC1 62a_100000188475_100000069128 [0,2,0,0,0,0|2,0,0]=4 7002 B13R1.42 CN(CCO)CCC1CCCCC1 2230a_100000210263_100012355289 [0,2,0,0,0,0|2,0,0]=4 7003 B13R1.42 CN(CCO)CCC1CCCCC1 269982a_100000210263_100011273959 [0,2,0,0,0,0|2,0,0]=4 7004 B13R1.42 CN(CCO)CCC1CCCCC1 270004a_100000210263_100011713444 [0,2,0,0,0,0|2,0,0]=4 7005 B13R1.42 CNCC(=O)NCC1CCCCC1 2230a_106832991635_100000183341 [0,2,0,0,0,0|2,0,0]=4 7006 B13R1.42 CNCC(=O)NCC1CCCCC1 34a_100102657272_100000183341 [0,2,0,0,0,0|2,0,0]=4 7007 B13R1.42 CNCC(=O)NCC1CCCCC1 7a_106832991635_100000183341 [0,2,0,0,0,0|2,0,0]=4 7008 B13R1.42 CNNC(=O)CCC1CCCCC1 22a_100016993582_100000211375 [0,2,0,0,0,0|1,0,0]=3 7009 B13R1.42 CNNC(=O)CCN1CCCCC1 22a_100016993582_100000743487 [0,2,0,0,0,0|2,0,0]=4 7010 B13R1.42 CNNC(=O)COC1CCCCC1 22a_100016993582_100011223303 [0,2,0,0,0,0|2,0,0]=4 7011 B13R1.42 CNNC(=O)NCC1CCCCC1 273464a_100000210473_100016993582 [0,2,0,0,0,0|2,0,0]=4 7012 B13R1.42 CNNC(=O)NCC1CCCCC1 512a_100016993582_100000210473 [0,2,0,0,0,0|2,0,0]=4 7013 B13R1.42 COCC(=O)CCC1CCCCC1 1458a_100000210968_100011273959 [0,2,0,0,0,0|0,0,0]=2 7014 B13R1.42 COCC(=O)CCC1CCOCC1 1458a_100000210968_100011934994 [0,2,0,0,0,0|1,0,0]=3 7015 B13R1.42 COCC(=O)CCC1OCCCO1 1458a_100000210968_100000764188 [0,2,0,0,0,0|2,0,0]=4 7016 B13R1.42 COCC(=O)CCN1CCCCC1 1458a_100000210968_100000739454 [0,2,0,0,0,0|1,0,0]=3 7017 B13R1.42 COCC(=O)CCN1CCOCC1 1458a_100000210968_100000753993 [0,2,0,0,0,0|2,0,0]=4 7018 B13R1.42 COCC(=O)COC1CCCCC1 1458a_100000210968_100011935260 [0,2,0,0,0,0|1,0,0]=3 7019 B13R1.42 COCC(=O)NCC1CCCCC1 11a_100000210473_100000210968 [0,2,0,0,0,0|1,0,0]=3 7020 B13R1.42 COCC(=O)NCC1CCCCC1 1626a_100000210473_100000210968 [0,2,0,0,0,0|1,0,0]=3 7021 B13R1.42 COCC(=O)NCC1CCCCC1 240690a_100000210473_100000210968 [0,2,0,0,0,0|1,0,0]=3 7022 B13R1.42 COCC(=O)NCC1CCCCC1 34a_100138415774_100000183341 [0,2,0,0,0,0|1,0,0]=3 7023 B13R1.42 COCC(=O)NCC1CCCCC1 527a_100000210473_100000210968 [0,2,0,0,0,0|1,0,0]=3 7024 B13R1.42 COCC(=O)NCC1CCCCO1 11a_100000174945_100000210968 [0,2,0,0,0,0|2,0,0]=4 7025 B13R1.42 COCC(=O)NCC1CCCCO1 1626a_100000174945_100000210968 [0,2,0,0,0,0|2,0,0]=4 7026 B13R1.42 COCC(=O)NCC1CCCCO1 240690a_100000174945_100000210968 [0,2,0,0,0,0|2,0,0]=4 7027 B13R1.42 COCC(=O)NCC1CCCCO1 527a_100000174945_100000210968 [0,2,0,0,0,0|2,0,0]=4 7028 B13R1.42 COCC(=O)NCC1CCCOC1 11a_100000720124_100000210968 [0,2,0,0,0,0|2,0,0]=4 7029 B13R1.42 COCC(=O)NCC1CCCOC1 1626a_100000720124_100000210968 [0,2,0,0,0,0|2,0,0]=4 7030 B13R1.42 COCC(=O)NCC1CCCOC1 240690a_100000720124_100000210968 [0,2,0,0,0,0|2,0,0]=4 7031 B13R1.42 COCC(=O)NCC1CCCOC1 527a_100000720124_100000210968 [0,2,0,0,0,0|2,0,0]=4 7032 B13R1.42 COCC(=O)NCC1CCOCC1 11a_100000746373_100000210968 [0,2,0,0,0,0|2,0,0]=4 7033 B13R1.42 COCC(=O)NCC1CCOCC1 1626a_100000746373_100000210968 [0,2,0,0,0,0|2,0,0]=4 7034 B13R1.42 COCC(=O)NCC1CCOCC1 240690a_100000746373_100000210968 [0,2,0,0,0,0|2,0,0]=4 7035 B13R1.42 COCC(=O)NCC1CCOCC1 527a_100000746373_100000210968 [0,2,0,0,0,0|2,0,0]=4 7036 B13R1.42 COCC(=O)NCC1CCSCC1 11a_100015188806_100000210968 [0,2,0,0,0,0|2,0,0]=4 7037 B13R1.42 COCC(=O)NCC1CCSCC1 240690a_100015188806_100000210968 [0,2,0,0,0,0|2,0,0]=4 7038 B13R1.42 COCC(=O)NCC1CCSCC1 527a_100015188806_100000210968 [0,2,0,0,0,0|2,0,0]=4 7039 B13R1.42 COCC(=O)NNC1CCCCC1 22a_100000709804_100000210968 [0,2,0,0,0,0|2,0,0]=4 7040 B13R1.42 CSCC(=O)CCC1CCCCC1 1458a_100000184570_100011273959 [0,2,0,0,0,0|0,1,0]=3 7041 B13R1.42 CSCC(=O)CCC1CCOCC1 1458a_100000184570_100011934994 [0,2,0,0,0,0|1,1,0]=4 7042 B13R1.42 CSCC(=O)CCN1CCCCC1 1458a_100000184570_100000739454 [0,2,0,0,0,0|1,1,0]=4 7043 B13R1.42 CSCC(=O)COC1CCCCC1 1458a_100000184570_100011935260 [0,2,0,0,0,0|1,1,0]=4 7044 B13R1.42 CSCC(=O)NCC1CCCCC1 11a_100000210473_100000184570 [0,2,0,0,0,0|1,1,0]=4 7045 B13R1.42 CSCC(=O)NCC1CCCCC1 1626a_100000210473_100000184570 [0,2,0,0,0,0|1,1,0]=4 7046 B13R1.42 CSCC(=O)NCC1CCCCC1 240690a_100000210473_100000184570 [0,2,0,0,0,0|1,1,0]=4 7047 B13R1.42 CSCC(=O)NCC1CCCCC1 527a_100000210473_100000184570 [0,2,0,0,0,0|1,1,0]=4 7048 B13R1.42 CSCC(=O)NCC1CCCCC1 62a_100000183341_200000210301 [0,2,0,0,0,0|1,1,0]=4 7049 B13R1.42 CSCC(=O)NCC1CCCCC1 62a_200000210301_100000183341 [0,2,0,0,0,0|1,1,0]=4 7050 B13R1.42 N#CCC(=O)CCC1CCCCC1 1458a_100000211375_100011214920 [0,2,0,0,0,0|1,0,0]=3 7051 B13R1.42 N#CCC(=O)CCC1CCCCC1 1458a_100051588842_100011273959 [0,2,0,0,0,0|1,0,0]=3 7052 B13R1.42 N#CCC(=O)CCC1CCOCC1 1458a_100051588842_100011934994 [0,2,0,0,0,0|2,0,0]=4 7053 B13R1.42 N#CCC(=O)CCN1CCCCC1 1458a_100000743487_100011214920 [0,2,0,0,0,0|2,0,0]=4 7054 B13R1.42 N#CCC(=O)CCN1CCCCC1 1458a_100051588842_100000739454 [0,2,0,0,0,0|2,0,0]=4 7055 B13R1.42 N#CCC(=O)COC1CCCCC1 1458a_100011223303_100011214920 [0,2,0,0,0,0|2,0,0]=4 7056 B13R1.42 N#CCC(=O)COC1CCCCC1 1458a_100051588842_100011935260 [0,2,0,0,0,0|2,0,0]=4 7057 B13R1.42 N#CCC(=O)NCC1CCCCC1 1626a_100000210473_100051588842 [0,2,0,0,0,0|2,0,0]=4 7058 B13R1.42 N#CCC(=O)NCC1CCCCC1 240690a_100000210473_100051588842 [0,2,0,0,0,0|2,0,0]=4 7059 B13R1.42 O=C(C=CBr)CCC1CCCCC1 1458a_100016273825_100011273959 [0,2,0,0,0,0|1,0,0]=3 7060 B13R1.42 O=C(C=CBr)CCC1CCOCC1 1458a_100016273825_100011934994 [0,2,0,0,0,0|2,0,0]=4 7061 B13R1.42 O=C(C=CBr)CCN1CCCCC1 1458a_100016273825_100000739454 [0,2,0,0,0,0|2,0,0]=4 7062 B13R1.42 O=C(C=CBr)COC1CCCCC1 1458a_100016273825_100011935260 [0,2,0,0,0,0|2,0,0]=4 7063 B13R1.42 O=C(C=CBr)NCC1CCCCC1 1626a_100000210473_100016273825 [0,2,0,0,0,0|2,0,0]=4 7064 B13R1.42 O=C(C=CBr)NCC1CCCCC1 240690a_100000210473_100016273825 [0,2,0,0,0,0|2,0,0]=4 7065 B13R1.42 O=C(C=CC1CCCCC1)CCO 1458a_100102566626_100000211926 [0,2,0,0,0,0|0,0,2]=4 7066 B13R1.42 O=C(C=CCl)CCC1CCCCC1 1458a_200016279998_100011273959 [0,2,0,0,0,0|1,0,0]=3 7067 B13R1.42 O=C(C=CCl)CCC1CCOCC1 1458a_200016279998_100011934994 [0,2,0,0,0,0|2,0,0]=4 7068 B13R1.42 O=C(C=CCl)CCN1CCCCC1 1458a_200016279998_100000739454 [0,2,0,0,0,0|2,0,0]=4 7069 B13R1.42 O=C(C=CCl)COC1CCCCC1 1458a_200016279998_100011935260 [0,2,0,0,0,0|2,0,0]=4 7070 B13R1.42 O=C(C=CCl)NCC1CCCCC1 11a_100000210473_200016279998 [0,2,0,0,0,0|2,0,0]=4 7071 B13R1.42 O=C(C=CCl)NCC1CCCCC1 1626a_100000210473_200016279998 [0,2,0,0,0,0|2,0,0]=4 7072 B13R1.42 O=C(C=CCl)NCC1CCCCC1 240690a_100000210473_200016279998 [0,2,0,0,0,0|2,0,0]=4 7073 B13R1.42 O=C(C=CI)CCC1CCCCC1 1458a_100016256311_100011273959 [0,2,0,0,0,0|1,0,0]=3 7074 B13R1.42 O=C(C=CI)CCC1CCOCC1 1458a_100016256311_100011934994 [0,2,0,0,0,0|2,0,0]=4 7075 B13R1.42 O=C(C=CI)CCN1CCCCC1 1458a_100016256311_100000739454 [0,2,0,0,0,0|2,0,0]=4 7076 B13R1.42 O=C(C=CI)COC1CCCCC1 1458a_100016256311_100011935260 [0,2,0,0,0,0|2,0,0]=4 7077 B13R1.42 O=C(C=CI)NCC1CCCCC1 1626a_100000210473_100016256311 [0,2,0,0,0,0|2,0,0]=4 7078 B13R1.42 O=C(CCF)CCC1CCCCC1 1458a_100000211375_100011217306 [0,2,0,0,0,0|1,0,0]=3 7079 B13R1.42 O=C(CCF)CCN1CCCCC1 1458a_100000743487_100011217306 [0,2,0,0,0,0|2,0,0]=4 7080 B13R1.42 O=C(CCF)COC1CCCCC1 1458a_100011223303_100011217306 [0,2,0,0,0,0|2,0,0]=4 7081 B13R1.42 O=C(CCO)CCC1CCCCC1 1458a_100000211375_100000211926 [0,2,0,0,0,0|0,0,0]=2 7082 B13R1.42 O=C(CCO)CCC1CCCCC1 1458a_100011216618_100011273959 [0,2,0,0,0,0|0,0,0]=2 7083 B13R1.42 O=C(CCO)CCC1CCOCC1 1458a_100011216618_100011934994 [0,2,0,0,0,0|1,0,0]=3 7084 B13R1.42 O=C(CCO)CCC1OCCCO1 1458a_100011216618_100000764188 [0,2,0,0,0,0|2,0,0]=4 7085 B13R1.42 O=C(CCO)CCN1CCCCC1 1458a_100000743487_100000211926 [0,2,0,0,0,0|1,0,0]=3 7086 B13R1.42 O=C(CCO)CCN1CCCCC1 1458a_100011216618_100000739454 [0,2,0,0,0,0|1,0,0]=3 7087 B13R1.42 O=C(CCO)CCN1CCCCO1 1458a_200015184090_100000211926 [0,2,0,0,0,0|2,0,0]=4 7088 B13R1.42 O=C(CCO)CCN1CCOCC1 1458a_100000749337_100000211926 [0,2,0,0,0,0|2,0,0]=4 7089 B13R1.42 O=C(CCO)CCN1CCOCC1 1458a_100011216618_100000753993 [0,2,0,0,0,0|2,0,0]=4 7090 B13R1.42 O=C(CCO)COC1CCCCC1 1458a_100011216618_100011935260 [0,2,0,0,0,0|1,0,0]=3 7091 B13R1.42 O=C(CCO)COC1CCCCC1 1458a_100011223303_100000211926 [0,2,0,0,0,0|1,0,0]=3 7092 B13R1.42 O=C(CCO)NCC1CCCCC1 240690a_100000210473_100011216618 [0,2,0,0,0,0|1,0,0]=3 7093 B13R1.42 O=C(CCO)NCC1CCCCO1 240690a_100000174945_100011216618 [0,2,0,0,0,0|2,0,0]=4 7094 B13R1.42 O=C(CCO)NCC1CCCOC1 240690a_100000720124_100011216618 [0,2,0,0,0,0|2,0,0]=4 7095 B13R1.42 O=C(CCO)NCC1CCOCC1 240690a_100000746373_100011216618 [0,2,0,0,0,0|2,0,0]=4 7096 B13R1.42 O=C(CCO)NCC1CCSCC1 240690a_100015188806_100011216618 [0,2,0,0,0,0|2,0,0]=4 7097 B13R1.42 O=C(CCO)NNC1CCCCC1 22a_100000709804_100011216618 [0,2,0,0,0,0|2,0,0]=4 7098 B13R1.42 O=C(CNC1CCCCC1)NCO 2230a_100000182618_100000185155 [0,2,0,0,0,0|1,0,0]=3 7099 B13R1.42 O=C(CNC1CCCCC1)NCO 34a_100000182618_100000185155 [0,2,0,0,0,0|1,0,0]=3 7100 B13R1.42 O=C(CNC1CCCOC1)NCO 2230a_100000719290_100000185155 [0,2,0,0,0,0|2,0,0]=4 7101 B13R1.42 O=C(CNC1CCCOC1)NCO 34a_100000719290_100000185155 [0,2,0,0,0,0|2,0,0]=4 7102 B13R1.42 O=C(CNC1CCOCC1)NCO 2230a_100000741149_100000185155 [0,2,0,0,0,0|2,0,0]=4 7103 B13R1.42 O=C(CNC1CCOCC1)NCO 34a_100000741149_100000185155 [0,2,0,0,0,0|2,0,0]=4 7104 B13R1.42 O=C(CNC1CCSCC1)NCO 2230a_100000748639_100000185155 [0,2,0,0,0,0|2,0,0]=4 7105 B13R1.42 O=C(CNC1CCSCC1)NCO 34a_100000748639_100000185155 [0,2,0,0,0,0|2,0,0]=4 7106 B13R1.42 O=C(COC1CCCCC1)NCO 34a_100000210231_100000185155 [0,2,0,0,0,0|1,0,0]=3 7107 B13R1.42 O=C(COC1CCCCC1)NCO 7a_100000210231_100000185155 [0,2,0,0,0,0|1,0,0]=3 7108 B13R1.42 O=C(COC1CCCCO1)NCO 34a_100000033831_100000185155 [0,2,0,0,0,0|2,0,0]=4 7109 B13R1.42 O=C(COC1CCCOC1)NCO 34a_100000754041_100000185155 [0,2,0,0,0,0|2,0,0]=4 7110 B13R1.42 O=C(COC1CCCSC1)NCO 7a_100015962668_100000185155 [0,2,0,0,0,0|2,0,0]=4 7111 B13R1.42 O=C(COC1CCOCC1)NCO 34a_100000744328_100000185155 [0,2,0,0,0,0|2,0,0]=4 7112 B13R1.42 O=C(COC1CCSCC1)NCO 34a_100000731022_100000185155 [0,2,0,0,0,0|2,0,0]=4 7113 B13R1.42 O=C(COC1CCSCC1)NCO 7a_100000731022_100000185155 [0,2,0,0,0,0|2,0,0]=4 7114 B13R1.42 O=C(CSC1CCCCC1)NCO 62a_100000185155_100000210327 [0,2,0,0,0,0|1,0,0]=3 7115 B13R1.42 O=C(CSC1CCCCC1)NCO 62a_100000210327_100000185155 [0,2,0,0,0,0|1,0,0]=3 7116 B13R1.42 O=C(CSC1CCCOC1)NCO 62a_100000185155_100000693364 [0,2,0,0,0,0|2,0,0]=4 7117 B13R1.42 O=C(CSC1CCOCC1)NCO 62a_100000185155_100011324220 [0,2,0,0,0,0|2,0,0]=4 7118 B13R1.42 O=C(CSC1CCSCC1)NCO 62a_100000185155_100000069128 [0,2,0,0,0,0|2,0,0]=4 7119 B13R1.42 [13CH3]SCC(=O)NCC1CCCCC1 62a_100000183341_200025704644 [0,2,0,0,0,0|1,1,0]=4 7120 B13R1.42 [13CH3]SCC(=O)NCC1CCCCC1 62a_200025704644_100000183341 [0,2,0,0,0,0|1,1,0]=4 7121 B13R1.135 C#CC(=O)C(C)CN1CCCCC1 1458a_100000211873_100009831500 [0,2,0,0,0,0|2,0,0]=4 7122 B13R1.135 C=CC(=O)C(C)CN1CCCCC1 1458a_100000185746_100009831500 [0,2,0,0,0,0|2,0,0]=4 7123 B13R1.135 C=CC(=O)N(C)CC1CCCCC1 1626a_100000736448_100000185746 [0,2,0,0,0,0|2,0,0]=4 7124 B13R1.135 C=CC(=O)N(C)CC1CCCCC1 240690a_100000736448_200121576911 [0,2,0,0,0,0|2,0,0]=4 7125 B13R1.135 CC(CC1CCCCC1)C(=O)CF 1458a_200011416370_100015361967 [0,2,0,0,0,0|1,0,0]=3 7126 B13R1.135 CC(CN1CCCCC1)C(=O)CF 1458a_100000740234_100015361967 [0,2,0,0,0,0|2,0,0]=4 7127 B13R1.135 CC(CN1CCCCC1)C(=O)CO 1458a_100000210174_100009831500 [0,2,0,0,0,0|1,0,0]=3 7128 B13R1.135 CC(OC1CCCCC1)C(=O)NN 34a_100000725659_100000210327 [0,2,0,0,0,0|2,0,0]=4 7129 B13R1.135 CCC(=O)C(C)CC1CCCCC1 1458a_200011416370_100000210202 [0,2,0,0,0,0|1,0,0]=3 7130 B13R1.135 CCC(=O)C(C)CN1CCCCC1 1458a_100000210414_100009831500 [0,2,0,0,0,0|2,0,0]=4 7131 B13R1.135 CCC(=O)C(C)CN1CCCCC1 1458a_100000740234_100000210202 [0,2,0,0,0,0|2,0,0]=4 7132 B13R1.135 CCC(=O)C(C)NC1CCCCC1 2230a_100000182618_100000742827 [0,2,0,0,0,0|2,0,0]=4 7133 B13R1.135 CCC(=O)C(C)OC1CCCCC1 7a_100000210231_100000742827 [0,2,0,0,0,0|2,0,0]=4 7134 B13R1.135 CCC(=O)C(C)SC1CCCCC1 62a_100000210327_100000742827 [0,2,0,0,0,0|2,0,0]=4 7135 B13R1.135 CCC(=O)C(C)SC1CCCCC1 62a_100000742827_100000210327 [0,2,0,0,0,0|2,0,0]=4 7136 B13R1.135 CCC(=O)N(C)CC1CCCCC1 11a_100000736448_100000210414 [0,2,0,0,0,0|2,0,0]=4 7137 B13R1.135 CCC(=O)N(C)CC1CCCCC1 1626a_100000736448_100000210414 [0,2,0,0,0,0|2,0,0]=4 7138 B13R1.135 CCC(=O)N(C)CC1CCCCC1 240690a_100000736448_100000210414 [0,2,0,0,0,0|2,0,0]=4 7139 B13R1.135 CCC(=O)N(C)CC1CCCCC1 527a_100000736448_100000210414 [0,2,0,0,0,0|2,0,0]=4 7140 B13R1.135 CCC(=O)[C@H](O)CC1CCCCC1 1458a_100016183741_100000210202 [0,2,0,0,0,0|1,0,0]=3 7141 B13R1.135 CN(CC1CCCCC1)C(=O)CO 240690a_100000736448_100000210174 [0,2,0,0,0,0|1,0,0]=3 7142 B13R1.135 CN(CC1CCCCC1)C(=O)CO 527a_100000736448_100000210174 [0,2,0,0,0,0|1,0,0]=3 7143 B13R1.135 CN(CC1CCCCO1)C(=O)CO 240690a_100000225654_100000210174 [0,2,0,0,0,0|2,0,0]=4 7144 B13R1.135 CN(CC1CCCCO1)C(=O)CO 527a_100000225654_100000210174 [0,2,0,0,0,0|2,0,0]=4 7145 B13R1.135 CN(CC1CCOCC1)C(=O)CO 240690a_100025706683_100000210174 [0,2,0,0,0,0|2,0,0]=4 7146 B13R1.135 CN(CC1CCOCC1)C(=O)CO 527a_100025706683_100000210174 [0,2,0,0,0,0|2,0,0]=4 7147 B13R1.135 CN(CC1CCSCC1)C(=O)CO 240690a_100011935259_100000210174 [0,2,0,0,0,0|2,0,0]=4 7148 B13R1.135 CN(CC1CCSCC1)C(=O)CO 527a_100011935259_100000210174 [0,2,0,0,0,0|2,0,0]=4 7149 B13R1.135 CNC(=O)C(=O)CC1CCCCC1 1458a_100011218921_100000211423 [0,2,0,0,0,0|1,0,1]=4 7150 B13R1.135 CNC(=O)C(C)CC1CCCCC1 11a_106832991635_200011416370 [0,2,0,0,0,0|1,0,0]=3 7151 B13R1.135 CNC(=O)C(C)CC1CCCCC1 1626a_100102657272_200011416370 [0,2,0,0,0,0|1,0,0]=3 7152 B13R1.135 CNC(=O)C(C)CC1CCCCC1 240690a_100102657272_200011416370 [0,2,0,0,0,0|1,0,0]=3 7153 B13R1.135 CNC(=O)C(C)CC1CCCCC1 527a_100102657272_200011416370 [0,2,0,0,0,0|1,0,0]=3 7154 B13R1.135 CNC(=O)C(C)CN1CCCCC1 11a_106832991635_100000740234 [0,2,0,0,0,0|2,0,0]=4 7155 B13R1.135 CNC(=O)C(C)CN1CCCCC1 240690a_100102657272_100000740234 [0,2,0,0,0,0|2,0,0]=4 7156 B13R1.135 CNC(=O)C(C)NC1CCCCC1 2230a_100000182618_100000731044 [0,2,0,0,0,0|2,0,0]=4 7157 B13R1.135 CNC(=O)C(C)NC1CCCCC1 34a_100000182618_100000731044 [0,2,0,0,0,0|2,0,0]=4 7158 B13R1.135 CNC(=O)C(C)OC1CCCCC1 34a_100000210231_100000731044 [0,2,0,0,0,0|2,0,0]=4 7159 B13R1.135 CNC(=O)C(C)OC1CCCCC1 7a_100000210231_100000209862 [0,2,0,0,0,0|2,0,0]=4 7160 B13R1.135 CNC(=O)C(C)SC1CCCCC1 62a_100000209862_100000210327 [0,2,0,0,0,0|2,0,0]=4 7161 B13R1.135 CNC(=O)C(C)SC1CCCCC1 62a_100000210327_100000731044 [0,2,0,0,0,0|2,0,0]=4 7162 B13R1.135 CNC(=O)C(F)NC1CCCCC1 2230a_100000182618_100009813575 [0,2,0,0,0,0|2,0,0]=4 7163 B13R1.135 CNC(=O)C(F)NC1CCCCC1 34a_100000182618_100009813575 [0,2,0,0,0,0|2,0,0]=4 7164 B13R1.135 CNC(=O)C(F)OC1CCCCC1 34a_100000210231_100009813575 [0,2,0,0,0,0|2,0,0]=4 7165 B13R1.135 CNC(=O)C(F)OC1CCCCC1 7a_100000210231_100009813575 [0,2,0,0,0,0|2,0,0]=4 7166 B13R1.135 CNC(=O)C(F)SC1CCCCC1 62a_100000210327_100009813575 [0,2,0,0,0,0|2,0,0]=4 7167 B13R1.135 CNC(=O)C(F)SC1CCCCC1 62a_100009813575_100000210327 [0,2,0,0,0,0|2,0,0]=4 7168 B13R1.135 CNC(=O)N(C)CC1CCCCC1 2708a_100102657272_100000736448 [0,2,0,0,0,0|2,0,0]=4 7169 B13R1.135 CNC(=O)N(C)CC1CCCCC1 273464a_100102657272_100000736448 [0,2,0,0,0,0|2,0,0]=4 7170 B13R1.135 CNC(=O)[C@@H](C)NC1CCCCC1 34a_100000684985_100000210327 [0,2,0,0,0,0|2,0,0]=4 7171 B13R1.135 CNC(=O)[C@H](O)CC1CCCCC1 240690a_100102657272_100016183741 [0,2,0,0,0,0|1,0,0]=3 7172 B13R1.135 CNC(=O)[C@H](O)CC1CCCCC1 527a_100102657272_100016183741 [0,2,0,0,0,0|1,0,0]=3 7173 B13R1.135 COC(=O)C(=O)NC1CCCCC1 11a_100000182618_100000024059 [0,2,0,0,0,0|1,0,1]=4 7174 B13R1.135 COC(=O)C(=O)NC1CCCCC1 1626a_100000182618_100000024059 [0,2,0,0,0,0|1,0,1]=4 7175 B13R1.135 COC(=O)C(=O)NC1CCCCC1 240690a_100000182618_100000024059 [0,2,0,0,0,0|1,0,1]=4 7176 B13R1.135 COC(=O)C(=O)NC1CCCCC1 527a_100000182618_100000024059 [0,2,0,0,0,0|1,0,1]=4 7177 B13R1.135 COC(=O)C(C)CN1CCCOC1 269982a_100000131196_100000698445 [0,2,0,0,0,0|2,0,0]=4 7178 B13R1.135 COC(=O)C(C)CN1CCCOC1 34a_100000131196_100000698445 [0,2,0,0,0,0|2,0,0]=4 7179 B13R1.135 COC(=O)C(C)CN1CCOCC1 269982a_100015191051_100000698445 [0,2,0,0,0,0|2,0,0]=4 7180 B13R1.135 COC(=O)C(C)CN1CCOCC1 34a_100015191051_100000698445 [0,2,0,0,0,0|2,0,0]=4 7181 B13R1.135 COC(=O)C(C)CN1CCSCC1 269982a_100000737611_100000698445 [0,2,0,0,0,0|2,0,0]=4 7182 B13R1.135 COC(=O)C(C)NC1CCCCC1 2230a_100000182618_100000211248 [0,2,0,0,0,0|1,0,0]=3 7183 B13R1.135 COC(=O)C(C)NC1CCCCC1 34a_100000182618_100000211248 [0,2,0,0,0,0|1,0,0]=3 7184 B13R1.135 COC(=O)C(C)NC1CCCOC1 2230a_100000719290_100000211248 [0,2,0,0,0,0|2,0,0]=4 7185 B13R1.135 COC(=O)C(C)NC1CCCOC1 34a_100000719290_100000211248 [0,2,0,0,0,0|2,0,0]=4 7186 B13R1.135 COC(=O)C(C)NC1CCOCC1 2230a_100000741149_100000211248 [0,2,0,0,0,0|2,0,0]=4 7187 B13R1.135 COC(=O)C(C)NC1CCOCC1 34a_100000741149_100000211248 [0,2,0,0,0,0|2,0,0]=4 7188 B13R1.135 COC(=O)C(C)NC1CCSCC1 2230a_100000748639_100000211248 [0,2,0,0,0,0|2,0,0]=4 7189 B13R1.135 COC(=O)C(C)NC1CCSCC1 34a_100000748639_100000211248 [0,2,0,0,0,0|2,0,0]=4 7190 B13R1.135 COC(=O)C(C)OC1CCCCC1 34a_100000210231_100000211248 [0,2,0,0,0,0|1,0,0]=3 7191 B13R1.135 COC(=O)C(C)OC1CCCCC1 34a_100011215400_100000210327 [0,2,0,0,0,0|1,0,0]=3 7192 B13R1.135 COC(=O)C(C)OC1CCCCC1 7a_100000210231_100000211248 [0,2,0,0,0,0|1,0,0]=3 7193 B13R1.135 COC(=O)C(C)OC1CCCCO1 34a_100000033831_100000211248 [0,2,0,0,0,0|2,0,0]=4 7194 B13R1.135 COC(=O)C(C)OC1CCCOC1 34a_100000754041_100000211248 [0,2,0,0,0,0|2,0,0]=4 7195 B13R1.135 COC(=O)C(C)OC1CCCOC1 34a_100011215400_100000693364 [0,2,0,0,0,0|2,0,0]=4 7196 B13R1.135 COC(=O)C(C)OC1CCCSC1 7a_100015962668_100000211248 [0,2,0,0,0,0|2,0,0]=4 7197 B13R1.135 COC(=O)C(C)OC1CCOCC1 34a_100000744328_100000211248 [0,2,0,0,0,0|2,0,0]=4 7198 B13R1.135 COC(=O)C(C)OC1CCSCC1 34a_100000731022_100000211248 [0,2,0,0,0,0|2,0,0]=4 7199 B13R1.135 COC(=O)C(C)OC1CCSCC1 34a_100011215400_100000069128 [0,2,0,0,0,0|2,0,0]=4 7200 B13R1.135 COC(=O)C(C)OC1CCSCC1 7a_100000731022_100000211248 [0,2,0,0,0,0|2,0,0]=4 7201 B13R1.135 COC(=O)C(C)SC1CCCCC1 62a_100000210327_100000211248 [0,2,0,0,0,0|1,0,0]=3 7202 B13R1.135 COC(=O)C(C)SC1CCCCC1 62a_100000211248_100000210327 [0,2,0,0,0,0|1,0,0]=3 7203 B13R1.135 COC(=O)C(C)SC1CCCOC1 62a_100000211248_100000693364 [0,2,0,0,0,0|2,0,0]=4 7204 B13R1.135 COC(=O)C(C)SC1CCOCC1 62a_100000211248_100011324220 [0,2,0,0,0,0|2,0,0]=4 7205 B13R1.135 COC(=O)C(C)SC1CCSCC1 62a_100000211248_100000069128 [0,2,0,0,0,0|2,0,0]=4 7206 B13R1.135 O=C(CF)[C@H](O)CC1CCCCC1 1458a_100016183741_100015361967 [0,2,0,0,0,0|1,0,0]=3 7207 B13R1.528 C#CC(=O)CCC1CCCCN1C 1458a_100000211873_100000211948 [0,2,0,0,0,0|2,0,0]=4 7208 B13R1.528 C=CC(=O)CCC1CCCCN1C 1458a_100000185746_100000211948 [0,2,0,0,0,0|2,0,0]=4 7209 B13R1.528 C=CC(=O)NCC1CCCCC1O 240690a_100011216029_200121576911 [0,2,0,0,0,0|2,0,0]=4 7210 B13R1.528 CC1CCCCC1OCC(=O)CF 1458a_100011223357_100015361967 [0,2,0,0,0,0|2,0,0]=4 7211 B13R1.528 CCC(=O)CCC1CCCCN1C 1458a_100000210414_100000211948 [0,2,0,0,0,0|2,0,0]=4 7212 B13R1.528 CCC(=O)CCC1CCCCN1C 1458a_100000718493_100000210202 [0,2,0,0,0,0|2,0,0]=4 7213 B13R1.528 CCC(=O)COC1CCCCC1C 1458a_100011223357_100000210202 [0,2,0,0,0,0|2,0,0]=4 7214 B13R1.528 CCC(=O)COC1CCCCC1C 7a_100000211207_100000747405 [0,2,0,0,0,0|2,0,0]=4 7215 B13R1.528 CCC(=O)COC1CCCCC1Cl 7a_100000038908_100000747405 [0,2,0,0,0,0|2,0,0]=4 7216 B13R1.528 CCC(=O)COC1CCCCC1F 34a_100000725409_100015423560 [0,2,0,0,0,0|2,0,0]=4 7217 B13R1.528 CCC(=O)COC1CCCCC1O 34a_100000725409_100000038908 [0,2,0,0,0,0|2,0,0]=4 7218 B13R1.528 CCC(=O)CO[C@@H]1CCCC[C@H]1F 7a_100009816020_100000747405 [0,2,0,0,0,0|2,0,0]=4 7219 B13R1.528 CCC(=O)CSC1CCCCC1F 62a_100000747405_100015423560 [0,2,0,0,0,0|2,0,0]=4 7220 B13R1.528 CCC(=O)CSC1CCCCC1F 62a_100015423560_100000747405 [0,2,0,0,0,0|2,0,0]=4 7221 B13R1.528 CCC(=O)CSC1CCCCC1O 62a_100000038908_100000747405 [0,2,0,0,0,0|2,0,0]=4 7222 B13R1.528 CCC(=O)CSC1CCCCC1O 62a_100000747405_100000038908 [0,2,0,0,0,0|2,0,0]=4 7223 B13R1.528 CCC(=O)NCC1CCCCC1O 240690a_100011216029_100000210414 [0,2,0,0,0,0|2,0,0]=4 7224 B13R1.528 CCC(=O)NCC1CCCCC1O 527a_100011216029_100000210414 [0,2,0,0,0,0|2,0,0]=4 7225 B13R1.528 CN1CCCCC1CCC(=O)CF 1458a_100000718493_100015361967 [0,2,0,0,0,0|2,0,0]=4 7226 B13R1.528 CN1CCCCC1CCC(=O)CO 1458a_100000210174_100000211948 [0,2,0,0,0,0|1,0,0]=3 7227 B13R1.528 CN1CCCCC1CNC(=O)CO 240690a_100011228421_100000210174 [0,2,0,0,0,0|2,0,0]=4 7228 B13R1.528 CN1CCCCC1CNC(=O)CO 527a_100011228421_100000210174 [0,2,0,0,0,0|2,0,0]=4 7229 B13R1.528 CNC(=O)CCC1CCCCN1C 240690a_100102657272_100000718493 [0,2,0,0,0,0|2,0,0]=4 7230 B13R1.528 CNC(=O)CCC1CCCCN1C 527a_100102657272_100000718493 [0,2,0,0,0,0|2,0,0]=4 7231 B13R1.528 CNC(=O)CCN1CCCCC1C 2230a_100000211376_100000737683 [0,2,0,0,0,0|2,0,0]=4 7232 B13R1.528 CNC(=O)CCN1CCCCC1C 240690a_100102657272_100000727554 [0,2,0,0,0,0|2,0,0]=4 7233 B13R1.528 CNC(=O)CCN1CCCCC1C 269982a_100000211376_100000737683 [0,2,0,0,0,0|2,0,0]=4 7234 B13R1.528 CNC(=O)CCN1CCCCC1C 34a_100000211376_100012179268 [0,2,0,0,0,0|2,0,0]=4 7235 B13R1.528 CNC(=O)CNC1CCCCC1C 2230a_100000211402_100000183359 [0,2,0,0,0,0|2,0,0]=4 7236 B13R1.528 CNC(=O)CNC1CCCCC1C 269862a_100000693194_100000210921 [0,2,0,0,0,0|2,0,0]=4 7237 B13R1.528 CNC(=O)CNC1CCCCC1C 270004a_100000693194_100000210921 [0,2,0,0,0,0|2,0,0]=4 7238 B13R1.528 CNC(=O)CNC1CCCCC1C 34a_100000211402_100000183359 [0,2,0,0,0,0|2,0,0]=4 7239 B13R1.528 CNC(=O)CN[C@@H]1CCCC[C@H]1F 2230a_100015195156_100000183359 [0,2,0,0,0,0|2,0,0]=4 7240 B13R1.528 CNC(=O)CN[C@@H]1CCCC[C@H]1F 34a_100015195156_100000183359 [0,2,0,0,0,0|2,0,0]=4 7241 B13R1.528 CNC(=O)COC1CCCCC1C 11a_106832991635_100011223357 [0,2,0,0,0,0|2,0,0]=4 7242 B13R1.528 CNC(=O)COC1CCCCC1C 1626a_100102657272_100011223357 [0,2,0,0,0,0|2,0,0]=4 7243 B13R1.528 CNC(=O)COC1CCCCC1C 240690a_100102657272_100011223357 [0,2,0,0,0,0|2,0,0]=4 7244 B13R1.528 CNC(=O)COC1CCCCC1C 34a_100000211207_100000183359 [0,2,0,0,0,0|2,0,0]=4 7245 B13R1.528 CNC(=O)COC1CCCCC1C 527a_100102657272_100011223357 [0,2,0,0,0,0|2,0,0]=4 7246 B13R1.528 CNC(=O)COC1CCCCC1C 7a_100000211207_100000183359 [0,2,0,0,0,0|2,0,0]=4 7247 B13R1.528 CNC(=O)COC1CCCCC1Cl 34a_100000038908_100000183359 [0,2,0,0,0,0|2,0,0]=4 7248 B13R1.528 CNC(=O)COC1CCCCC1Cl 7a_100000038908_100000183359 [0,2,0,0,0,0|2,0,0]=4 7249 B13R1.528 CNC(=O)COC1CCCCC1F 34a_100000750040_100015423560 [0,2,0,0,0,0|2,0,0]=4 7250 B13R1.528 CNC(=O)COC1CCCCC1O 34a_100000750040_100000038908 [0,2,0,0,0,0|2,0,0]=4 7251 B13R1.528 CNC(=O)CO[C@@H]1CCCC[C@H]1F 34a_100009816020_100000183359 [0,2,0,0,0,0|2,0,0]=4 7252 B13R1.528 CNC(=O)CO[C@@H]1CCCC[C@H]1F 7a_100009816020_100000183359 [0,2,0,0,0,0|2,0,0]=4 7253 B13R1.528 CNC(=O)CO[C@H]1CCCC[C@H]1N 34a_100015191688_100000183359 [0,2,0,0,0,0|2,0,0]=4 7254 B13R1.528 CNC(=O)CSC1CCCCC1F 62a_100000183359_100015423560 [0,2,0,0,0,0|2,0,0]=4 7255 B13R1.528 CNC(=O)CSC1CCCCC1F 62a_100015423560_100000183359 [0,2,0,0,0,0|2,0,0]=4 7256 B13R1.528 CNC(=O)CSC1CCCCC1O 62a_100000038908_100000183359 [0,2,0,0,0,0|2,0,0]=4 7257 B13R1.528 CNC(=O)CSC1CCCCC1O 62a_100000183359_100000038908 [0,2,0,0,0,0|2,0,0]=4 7258 B13R1.528 CNC(=O)NCC1CCCCC1O 2708a_100102657272_100011216029 [0,2,0,0,0,0|2,0,0]=4 7259 B13R1.528 CNC(=O)NCC1CCCCC1O 273464a_100102657272_100011216029 [0,2,0,0,0,0|2,0,0]=4 7260 B13R1.528 CNC(=O)NCC1CCCCC1O 512a_106832991638_100011216029 [0,2,0,0,0,0|2,0,0]=4 7261 B13R1.528 COC(=O)CCN1CCCCC1C 2230a_100000211376_100000204255 [0,2,0,0,0,0|1,0,0]=3 7262 B13R1.528 COC(=O)CCN1CCCCC1C 269982a_100000211376_100000204255 [0,2,0,0,0,0|1,0,0]=3 7263 B13R1.528 COC(=O)CCN1CCCCC1C 34a_100000211376_100000742370 [0,2,0,0,0,0|1,0,0]=3 7264 B13R1.528 COC(=O)CCN1CCOC[C@@H]1C 2230a_100009815349_100000204255 [0,2,0,0,0,0|2,0,0]=4 7265 B13R1.528 COC(=O)CCN1CCOC[C@@H]1C 269982a_100009815349_100000204255 [0,2,0,0,0,0|2,0,0]=4 7266 B13R1.528 COC(=O)CCN1CCOC[C@@H]1C 34a_100009815349_100000742370 [0,2,0,0,0,0|2,0,0]=4 7267 B13R1.528 COC(=O)CNC1CCCCC1C 2230a_100000211402_100000747449 [0,2,0,0,0,0|1,0,0]=3 7268 B13R1.528 COC(=O)CNC1CCCCC1C 34a_100000211402_100000747449 [0,2,0,0,0,0|1,0,0]=3 7269 B13R1.528 COC(=O)CN[C@@H]1CCCC[C@H]1F 2230a_100015195156_100000747449 [0,2,0,0,0,0|1,0,0]=3 7270 B13R1.528 COC(=O)CN[C@@H]1CCCC[C@H]1F 34a_100015195156_100000747449 [0,2,0,0,0,0|1,0,0]=3 7271 B13R1.528 COC(=O)CN[C@@H]1CCOC[C@@H]1O 2230a_100016994285_100000747449 [0,2,0,0,0,0|2,0,0]=4 7272 B13R1.528 COC(=O)CN[C@H]1CCOC[C@@H]1F 2230a_100016994078_100000747449 [0,2,0,0,0,0|2,0,0]=4 7273 B13R1.528 COC(=O)CN[C@H]1CCOC[C@@H]1F 34a_100016994078_100000747449 [0,2,0,0,0,0|2,0,0]=4 7274 B13R1.528 COC(=O)CN[C@H]1COCC[C@@H]1O 2230a_100015739063_100000747449 [0,2,0,0,0,0|2,0,0]=4 7275 B13R1.528 COC(=O)COC1CCCCC1=O 34a_100011214950_100000747449 [0,2,0,0,0,0|1,0,1]=4 7276 B13R1.528 COC(=O)COC1CCCCC1C 34a_100000211207_100000747449 [0,2,0,0,0,0|1,0,0]=3 7277 B13R1.528 COC(=O)COC1CCCCC1C 7a_100000211207_100000747449 [0,2,0,0,0,0|1,0,0]=3 7278 B13R1.528 COC(=O)COC1CCCCC1Cl 34a_100000038908_100000747449 [0,2,0,0,0,0|1,0,0]=3 7279 B13R1.528 COC(=O)COC1CCCCC1Cl 7a_100000038908_100000747449 [0,2,0,0,0,0|1,0,0]=3 7280 B13R1.528 COC(=O)COC1CCNCC1C 34a_100011998114_100000747449 [0,2,0,0,0,0|2,0,0]=4 7281 B13R1.528 COC(=O)COC1CNCCC1C 34a_100000696640_100000747449 [0,2,0,0,0,0|2,0,0]=4 7282 B13R1.528 COC(=O)CO[C@@H]1CCCC[C@H]1F 34a_100009816020_100000747449 [0,2,0,0,0,0|1,0,0]=3 7283 B13R1.528 COC(=O)CO[C@@H]1CCCC[C@H]1F 7a_100009816020_100000747449 [0,2,0,0,0,0|1,0,0]=3 7284 B13R1.528 COC(=O)CO[C@@H]1CCNC[C@@H]1F 34a_200016994291_100000747449 [0,2,0,0,0,0|2,0,0]=4 7285 B13R1.528 COC(=O)CO[C@H]1CCCC[C@H]1N 34a_100015191688_100000747449 [0,2,0,0,0,0|1,0,0]=3 7286 B13R1.528 COC(=O)CO[C@H]1CCOC[C@@H]1N 34a_100015739063_100000747449 [0,2,0,0,0,0|2,0,0]=4 7287 B13R1.528 COC(=O)CO[C@H]1COCC[C@H]1N 34a_100016994285_100000747449 [0,2,0,0,0,0|2,0,0]=4 7288 B13R1.528 COC(=O)CSC1CCCCC1=O 62a_100000204591_100000747449 [0,2,0,0,0,0|1,0,1]=4 7289 B13R1.528 COC(=O)CSC1CCCCC1=O 62a_100000747449_100000204591 [0,2,0,0,0,0|1,0,1]=4 7290 B13R1.528 COC(=O)CSC1CCCCC1F 62a_100000747449_100015423560 [0,2,0,0,0,0|1,0,0]=3 7291 B13R1.528 COC(=O)CSC1CCCCC1F 62a_100015423560_100000747449 [0,2,0,0,0,0|1,0,0]=3 7292 B13R1.528 COC(=O)CSC1CCCCC1O 62a_100000038908_100000747449 [0,2,0,0,0,0|1,0,0]=3 7293 B13R1.528 COC(=O)CSC1CCCCC1O 62a_100000747449_100000038908 [0,2,0,0,0,0|1,0,0]=3 7294 B13R1.528 O=C(CO)NCC1CCCCC1O 240690a_100011216029_100000210174 [0,2,0,0,0,0|1,0,0]=3 7295 B13R1.528 O=C(CO)NCC1CCCCC1O 527a_100011216029_100000210174 [0,2,0,0,0,0|1,0,0]=3 7296 B13R1.2045 C=CC(=O)NCC1(CCCCC1)C 1626a_100000706052_100000185746 [0,2,0,0,0,0|2,0,0]=4 7297 B13R1.2045 C=CC(=O)NCC1(CCCCC1)C 240690a_100000706052_200121576911 [0,2,0,0,0,0|2,0,0]=4 7298 B13R1.2045 C=CC(=O)NCC1(CCCCC1)O 1626a_100000748649_100000185746 [0,2,0,0,0,0|2,0,0]=4 7299 B13R1.2045 C=CC(=O)NCC1(CCCCC1)O 240690a_100000748649_200121576911 [0,2,0,0,0,0|2,0,0]=4 7300 B13R1.2045 CC1(CCCCC1)CNC(=O)CO 240690a_100000706052_100000210174 [0,2,0,0,0,0|1,0,0]=3 7301 B13R1.2045 CC1(CCCCC1)CNC(=O)CO 527a_100000706052_100000210174 [0,2,0,0,0,0|1,0,0]=3 7302 B13R1.2045 CC1(CCOCC1)CNC(=O)CO 240690a_100000695556_100000210174 [0,2,0,0,0,0|2,0,0]=4 7303 B13R1.2045 CC1(CCOCC1)CNC(=O)CO 527a_100000695556_100000210174 [0,2,0,0,0,0|2,0,0]=4 7304 B13R1.2045 CCC(=O)COC1(CCCCC1)C 7a_100011215885_100000747405 [0,2,0,0,0,0|2,0,0]=4 7305 B13R1.2045 CCC(=O)NCC1(CCCCC1)C 11a_100000706052_100000210414 [0,2,0,0,0,0|2,0,0]=4 7306 B13R1.2045 CCC(=O)NCC1(CCCCC1)C 1626a_100000706052_100000210414 [0,2,0,0,0,0|2,0,0]=4 7307 B13R1.2045 CCC(=O)NCC1(CCCCC1)C 240690a_100000706052_100000210414 [0,2,0,0,0,0|2,0,0]=4 7308 B13R1.2045 CCC(=O)NCC1(CCCCC1)C 527a_100000706052_100000210414 [0,2,0,0,0,0|2,0,0]=4 7309 B13R1.2045 CCC(=O)NCC1(CCCCC1)O 11a_100000748649_100000210414 [0,2,0,0,0,0|2,0,0]=4 7310 B13R1.2045 CCC(=O)NCC1(CCCCC1)O 1626a_100000748649_100000210414 [0,2,0,0,0,0|2,0,0]=4 7311 B13R1.2045 CCC(=O)NCC1(CCCCC1)O 240690a_100000748649_100000210414 [0,2,0,0,0,0|2,0,0]=4 7312 B13R1.2045 CCC(=O)NCC1(CCCCC1)O 527a_100000748649_100000210414 [0,2,0,0,0,0|2,0,0]=4 7313 B13R1.2045 CNC(=O)CNC1(CCCCC1)C 2230a_100000741114_100000183359 [0,2,0,0,0,0|2,0,0]=4 7314 B13R1.2045 CNC(=O)CNC1(CCCCC1)C 34a_100000741114_100000183359 [0,2,0,0,0,0|2,0,0]=4 7315 B13R1.2045 CNC(=O)COC1(CCCCC1)C 34a_100011215885_100000183359 [0,2,0,0,0,0|2,0,0]=4 7316 B13R1.2045 CNC(=O)COC1(CCCCC1)C 7a_100011215885_100000183359 [0,2,0,0,0,0|2,0,0]=4 7317 B13R1.2045 CNC(=O)NCC1(CCCCC1)C 2708a_100000706052_106832991635 [0,2,0,0,0,0|2,0,0]=4 7318 B13R1.2045 CNC(=O)NCC1(CCCCC1)C 2708a_100102657272_100000706052 [0,2,0,0,0,0|2,0,0]=4 7319 B13R1.2045 CNC(=O)NCC1(CCCCC1)C 273464a_100000706052_100102657272 [0,2,0,0,0,0|2,0,0]=4 7320 B13R1.2045 CNC(=O)NCC1(CCCCC1)C 273464a_100102657272_100000706052 [0,2,0,0,0,0|2,0,0]=4 7321 B13R1.2045 CNC(=O)NCC1(CCCCC1)C 512a_100000706052_100102657272 [0,2,0,0,0,0|2,0,0]=4 7322 B13R1.2045 CNC(=O)NCC1(CCCCC1)C 512a_106832991638_100000706052 [0,2,0,0,0,0|2,0,0]=4 7323 B13R1.2045 CNC(=O)NCC1(CCCCC1)O 2708a_100102657272_100000748649 [0,2,0,0,0,0|2,0,0]=4 7324 B13R1.2045 CNC(=O)NCC1(CCCCC1)O 273464a_100102657272_100000748649 [0,2,0,0,0,0|2,0,0]=4 7325 B13R1.2045 CNC(=O)NCC1(CCCCC1)O 512a_100000748649_100102657272 [0,2,0,0,0,0|2,0,0]=4 7326 B13R1.2045 CNC(=O)NCC1(CCCCC1)O 512a_106832991638_100000748649 [0,2,0,0,0,0|2,0,0]=4 7327 B13R1.2045 COC(=O)CNC1(CCCCC1)C 2230a_100000741114_100000747449 [0,2,0,0,0,0|1,0,0]=3 7328 B13R1.2045 COC(=O)CNC1(CCCCC1)C 34a_100000741114_100000747449 [0,2,0,0,0,0|1,0,0]=3 7329 B13R1.2045 COC(=O)CNC1(CCOCC1)C 2230a_100000692449_100000747449 [0,2,0,0,0,0|2,0,0]=4 7330 B13R1.2045 COC(=O)CNC1(CCOCC1)C 34a_100000692449_100000747449 [0,2,0,0,0,0|2,0,0]=4 7331 B13R1.2045 COC(=O)COC1(CCCCC1)C 34a_100011215885_100000747449 [0,2,0,0,0,0|1,0,0]=3 7332 B13R1.2045 COC(=O)COC1(CCCCC1)C 7a_100011215885_100000747449 [0,2,0,0,0,0|1,0,0]=3 7333 B13R1.2045 COC(=O)COC1(CCOCC1)C 34a_100011827762_100000747449 [0,2,0,0,0,0|2,0,0]=4 7334 B13R1.2045 COC(=O)COC1(CCOCC1)C 7a_100011827762_100000747449 [0,2,0,0,0,0|2,0,0]=4 7335 B13R1.2045 COC(=O)COC1(CCSCC1)C 34a_200011004327_100000747449 [0,2,0,0,0,0|2,0,0]=4 7336 B13R1.2045 COC(=O)COC1(CCSCC1)C 7a_200011004327_100000747449 [0,2,0,0,0,0|2,0,0]=4 7337 B13R1.2045 O=C(CO)NCC1(CCCCC1)O 240690a_100000748649_100000210174 [0,2,0,0,0,0|1,0,0]=3 7338 B13R1.2045 O=C(CO)NCC1(CCCCC1)O 527a_100000748649_100000210174 [0,2,0,0,0,0|1,0,0]=3 7339 B13R1.2045 O=C(CO)NCC1(CCOCC1)F 240690a_100016991512_100000210174 [0,2,0,0,0,0|2,0,0]=4 7340 B13R1.2045 O=C(CO)NCC1(CCOCC1)F 527a_100016991512_100000210174 [0,2,0,0,0,0|2,0,0]=4 7341 B13R1.2045 O=C(CO)NCC1(CCOCC1)O 240690a_100000704115_100000210174 [0,2,0,0,0,0|2,0,0]=4 7342 B13R1.2045 O=C(CO)NCC1(CCOCC1)O 527a_100000704115_100000210174 [0,2,0,0,0,0|2,0,0]=4 7343 B13R1.2045 O=C(CO)NCC1(CCSCC1)O 240690a_100000758141_100000210174 [0,2,0,0,0,0|2,0,0]=4 7344 B13R1.2045 O=C(CO)NCC1(CCSCC1)O 527a_100000758141_100000210174 [0,2,0,0,0,0|2,0,0]=4 7345 B13R1.148 CC(=O)C(C)NC1CCCC(C1)C 2230a_100011194320_100009814033 [0,2,0,0,0,0|2,0,0]=4 7346 B13R1.148 CC(=O)C(C)NC1CCCC(C1)O 2230a_100015190357_100009814033 [0,2,0,0,0,0|2,0,0]=4 7347 B13R1.148 CC(NC1CCCC(C1)O)C(=O)N 2230a_100015190357_100000702099 [0,2,0,0,0,0|2,0,0]=4 7348 B13R1.148 CC1CCCC(C1)NC(C)C(=O)N 2230a_100011194320_100000702099 [0,2,0,0,0,0|2,0,0]=4 7349 B13R1.148 CC1CCCC(C1)NC(C)C(=O)N 34a_100011194320_100000702099 [0,2,0,0,0,0|2,0,0]=4 7350 B13R1.148 CC1CCCC(C1)NC(F)C(=O)N 2230a_100011194320_100009813875 [0,2,0,0,0,0|2,0,0]=4 7351 B13R1.148 CC1CCCC(C1)NC(F)C(=O)N 34a_100011194320_100009813875 [0,2,0,0,0,0|2,0,0]=4 7352 B13R1.148 CC1CCCC(C1)NC(F)C(=O)[O-] 34a_100011194320_100020610796 [0,2,0,0,0,0|1,0,1]=4 7353 B13R1.148 CC1CCCC(C1)N[C@H](C)C(=O)N 270004a_100000119354_100000183594 [0,2,0,0,0,0|2,0,0]=4 7354 B13R1.148 CC1CCCC(C1)OC(C)C(=O)N 34a_100000211399_100000702099 [0,2,0,0,0,0|2,0,0]=4 7355 B13R1.148 CC1CCCC(C1)OC(F)C(=O)N 34a_100000211399_100009813875 [0,2,0,0,0,0|2,0,0]=4 7356 B13R1.148 CC1CCCC(C1)OC(F)C(=O)[O-] 34a_100000211399_100020610796 [0,2,0,0,0,0|1,0,1]=4 7357 B13R1.148 C[C@@H](NC1CCCC(C1)O)C(=O)N 270004a_100000119354_100012613340 [0,2,0,0,0,0|2,0,0]=4 7358 B13R1.148 NC(=O)C(F)NC1CCCC(C1)O 2230a_100015190357_100009813875 [0,2,0,0,0,0|2,0,0]=4 7359 B13R1.152 CC(=O)C(C)C(=O)C1CCCCC1 1458a_100000210647_100000179758 [0,2,0,0,0,0|1,0,1]=4 7360 B13R1.152 CC(=O)C(C)N(C)C1CCCCC1 2230a_100000207522_100009814033 [0,2,0,0,0,0|2,0,0]=4 7361 B13R1.152 CC(=O)C(C)N(C)C1CCCCC1 269982a_100000207522_100009814033 [0,2,0,0,0,0|2,0,0]=4 7362 B13R1.152 CC(C(=O)N)C(=O)C1CCCCC1 1458a_100000210647_100000702099 [0,2,0,0,0,0|1,0,1]=4 7363 B13R1.152 CC(C(=O)N)N(C)C1CCCCC1 2230a_100000207522_100000702099 [0,2,0,0,0,0|2,0,0]=4 7364 B13R1.152 CC(C(=O)N)N(C)C1CCCCC1 269982a_100000207522_100000184083 [0,2,0,0,0,0|2,0,0]=4 7365 B13R1.152 CC(C(=O)N)N(C)C1CCCCC1 34a_100000207522_100000702099 [0,2,0,0,0,0|2,0,0]=4 7366 B13R1.152 CC(C(=O)O)N(C)C1CCCCC1 269956a_100000749554_100000210327 [0,2,0,0,0,0|1,0,0]=3 7367 B13R1.152 CC(C(=O)O)N(C)C1CCCOC1 269956a_100000749554_100000693364 [0,2,0,0,0,0|2,0,0]=4 7368 B13R1.152 CC(C(=O)O)N(C)C1CCOCC1 269956a_100000749554_100011324220 [0,2,0,0,0,0|2,0,0]=4 7369 B13R1.152 CC(C(=O)O)N(C)C1CCSCC1 269956a_100000749554_100000069128 [0,2,0,0,0,0|2,0,0]=4 7370 B13R1.152 CN(C1CCCCC1)C(F)C(=O)N 2230a_100000207522_100009813875 [0,2,0,0,0,0|2,0,0]=4 7371 B13R1.152 CN(C1CCCCC1)C(F)C(=O)N 269982a_100000207522_100009813875 [0,2,0,0,0,0|2,0,0]=4 7372 B13R1.152 CN(C1CCCCC1)C(F)C(=O)N 34a_100000207522_100009813875 [0,2,0,0,0,0|2,0,0]=4 7373 B13R1.152 CN(C1CCCCC1)C(F)C(=O)[O-] 34a_100000207522_100020610796 [0,2,0,0,0,0|1,0,1]=4 7374 B13R1.152 NC(=O)C(F)C(=O)C1CCCCC1 1458a_100000210647_100009813875 [0,2,0,0,0,0|1,0,1]=4 7375 B13R1.152 O=C([O-])C(F)C(=O)C1CCCCC1 1458a_100000210647_100020610796 [0,2,0,0,0,0|0,0,2]=4 7376 B13R1.202 CC(=O)C(C)NC1CCCCC1C 2230a_100000211402_100009814033 [0,2,0,0,0,0|2,0,0]=4 7377 B13R1.202 CC(=O)C(C)N[C@@H]1CCCC[C@H]1F 2230a_100015195156_100009814033 [0,2,0,0,0,0|2,0,0]=4 7378 B13R1.202 CC(=O)C(C)OC1CCCCC1C 7a_100000211207_100000179758 [0,2,0,0,0,0|2,0,0]=4 7379 B13R1.202 CC(=O)C(C)OC1CCCCC1Cl 7a_100000038908_100000179758 [0,2,0,0,0,0|2,0,0]=4 7380 B13R1.202 CC(=O)C(C)OC1CCCCC1F 34a_100000212229_100015423560 [0,2,0,0,0,0|2,0,0]=4 7381 B13R1.202 CC(=O)C(C)OC1CCCCC1O 34a_100000212229_100000038908 [0,2,0,0,0,0|2,0,0]=4 7382 B13R1.202 CC(=O)C(C)O[C@@H]1CCCC[C@H]1F 7a_100009816020_100000179758 [0,2,0,0,0,0|2,0,0]=4 7383 B13R1.202 CC(=O)C(C)SC1CCCCC1F 62a_100009814033_100015423560 [0,2,0,0,0,0|2,0,0]=4 7384 B13R1.202 CC(=O)C(C)SC1CCCCC1F 62a_100015423560_100009814033 [0,2,0,0,0,0|2,0,0]=4 7385 B13R1.202 CC(=O)C(C)SC1CCCCC1O 62a_100000038908_100009814033 [0,2,0,0,0,0|2,0,0]=4 7386 B13R1.202 CC(=O)C(C)SC1CCCCC1O 62a_100009814033_100000038908 [0,2,0,0,0,0|2,0,0]=4 7387 B13R1.202 CC(NC1CCCCC1C)C(=O)N 2230a_100000211402_100000702099 [0,2,0,0,0,0|2,0,0]=4 7388 B13R1.202 CC(NC1CCCCC1C)C(=O)N 34a_100000211402_100000702099 [0,2,0,0,0,0|2,0,0]=4 7389 B13R1.202 CC(N[C@@H]1CCCC[C@H]1F)C(=O)N 2230a_100015195156_100000702099 [0,2,0,0,0,0|2,0,0]=4 7390 B13R1.202 CC(N[C@@H]1CCCC[C@H]1F)C(=O)N 34a_100015195156_100000702099 [0,2,0,0,0,0|2,0,0]=4 7391 B13R1.202 CC(OC1CCCCC1C)C(=O)N 34a_100000211207_100000702099 [0,2,0,0,0,0|2,0,0]=4 7392 B13R1.202 CC(OC1CCCCC1C)C(=O)N 7a_100000211207_100000702099 [0,2,0,0,0,0|2,0,0]=4 7393 B13R1.202 CC(OC1CCCCC1Cl)C(=O)N 34a_100000038908_100000702099 [0,2,0,0,0,0|2,0,0]=4 7394 B13R1.202 CC(OC1CCCCC1Cl)C(=O)N 7a_100000038908_100000702099 [0,2,0,0,0,0|2,0,0]=4 7395 B13R1.202 CC(O[C@@H]1CCCC[C@H]1F)C(=O)N 34a_100009816020_100000702099 [0,2,0,0,0,0|2,0,0]=4 7396 B13R1.202 CC(O[C@@H]1CCCC[C@H]1F)C(=O)N 7a_100009816020_100000702099 [0,2,0,0,0,0|2,0,0]=4 7397 B13R1.202 CC(O[C@H]1CCCC[C@H]1N)C(=O)N 34a_100015191688_100000702099 [0,2,0,0,0,0|2,0,0]=4 7398 B13R1.202 CC(SC1CCCCC1F)C(=O)N 62a_100000702099_100015423560 [0,2,0,0,0,0|2,0,0]=4 7399 B13R1.202 CC(SC1CCCCC1F)C(=O)N 62a_100015423560_100000702099 [0,2,0,0,0,0|2,0,0]=4 7400 B13R1.202 CC(SC1CCCCC1O)C(=O)N 62a_100000038908_100000702099 [0,2,0,0,0,0|2,0,0]=4 7401 B13R1.202 CC(SC1CCCCC1O)C(=O)N 62a_100000702099_100000038908 [0,2,0,0,0,0|2,0,0]=4 7402 B13R1.202 CC1CCCCC1NC(F)C(=O)N 2230a_100000211402_100009813875 [0,2,0,0,0,0|2,0,0]=4 7403 B13R1.202 CC1CCCCC1NC(F)C(=O)N 34a_100000211402_100009813875 [0,2,0,0,0,0|2,0,0]=4 7404 B13R1.202 CC1CCCCC1NC(F)C(=O)[O-] 34a_100000211402_100020610796 [0,2,0,0,0,0|1,0,1]=4 7405 B13R1.202 CC1CCCCC1N[C@H](C)C(=O)N 270004a_100000119354_100000210921 [0,2,0,0,0,0|2,0,0]=4 7406 B13R1.202 CC1CCCCC1OC(F)C(=O)N 34a_100000211207_100009813875 [0,2,0,0,0,0|2,0,0]=4 7407 B13R1.202 CC1CCCCC1OC(F)C(=O)N 7a_100000211207_100009813875 [0,2,0,0,0,0|2,0,0]=4 7408 B13R1.202 CC1CCCCC1OC(F)C(=O)[O-] 34a_100000211207_100020610796 [0,2,0,0,0,0|1,0,1]=4 7409 B13R1.202 C[C@@H](NC1CCCCC1F)C(=O)N 34a_100000119354_100015423560 [0,2,0,0,0,0|2,0,0]=4 7410 B13R1.202 C[C@@H](NC1CCCCC1O)C(=O)N 34a_100000119354_100000038908 [0,2,0,0,0,0|2,0,0]=4 7411 B13R1.202 C[C@@H](OC1CCCCC1F)C(=O)N 34a_100000731257_100015423560 [0,2,0,0,0,0|2,0,0]=4 7412 B13R1.202 C[C@@H](OC1CCCCC1O)C(=O)N 34a_100000731257_100000038908 [0,2,0,0,0,0|2,0,0]=4 7413 B13R1.202 C[C@H](NC1CCCCC1=O)C(=O)O 269956a_100000743915_100000204591 [0,2,0,0,0,0|1,0,1]=4 7414 B13R1.202 C[C@H](NC1CCCCC1F)C(=O)O 269956a_100000743915_100015423560 [0,2,0,0,0,0|1,0,0]=3 7415 B13R1.202 C[C@H](NC1CCCCC1O)C(=O)O 269956a_100000743915_100000038908 [0,2,0,0,0,0|1,0,0]=3 7416 B13R1.202 NC(=O)C(F)N[C@@H]1CCCC[C@H]1F 2230a_100015195156_100009813875 [0,2,0,0,0,0|2,0,0]=4 7417 B13R1.202 NC(=O)C(F)N[C@@H]1CCCC[C@H]1F 34a_100015195156_100009813875 [0,2,0,0,0,0|2,0,0]=4 7418 B13R1.202 NC(=O)C(F)OC1CCCCC1Cl 34a_100000038908_100009813875 [0,2,0,0,0,0|2,0,0]=4 7419 B13R1.202 NC(=O)C(F)OC1CCCCC1Cl 7a_100000038908_100009813875 [0,2,0,0,0,0|2,0,0]=4 7420 B13R1.202 NC(=O)C(F)O[C@@H]1CCCC[C@H]1F 34a_100009816020_100009813875 [0,2,0,0,0,0|2,0,0]=4 7421 B13R1.202 NC(=O)C(F)O[C@@H]1CCCC[C@H]1F 7a_100009816020_100009813875 [0,2,0,0,0,0|2,0,0]=4 7422 B13R1.202 NC(=O)C(F)O[C@H]1CCCC[C@H]1N 34a_100015191688_100009813875 [0,2,0,0,0,0|2,0,0]=4 7423 B13R1.202 NC(=O)C(F)SC1CCCCC1F 62a_100009813875_100015423560 [0,2,0,0,0,0|2,0,0]=4 7424 B13R1.202 NC(=O)C(F)SC1CCCCC1F 62a_100015423560_100009813875 [0,2,0,0,0,0|2,0,0]=4 7425 B13R1.202 NC(=O)C(F)SC1CCCCC1O 62a_100000038908_100009813875 [0,2,0,0,0,0|2,0,0]=4 7426 B13R1.202 NC(=O)C(F)SC1CCCCC1O 62a_100009813875_100000038908 [0,2,0,0,0,0|2,0,0]=4 7427 B13R1.202 N[C@@H]1CCCC[C@@H]1OC(F)C(=O)[O-] 34a_100015191688_100020610796 [0,2,0,0,0,0|1,0,1]=4 7428 B13R1.202 O=C([O-])C(F)N[C@@H]1CCCC[C@H]1F 34a_100015195156_100020610796 [0,2,0,0,0,0|1,0,1]=4 7429 B13R1.202 O=C([O-])C(F)OC1CCCCC1Cl 34a_100000038908_100020610796 [0,2,0,0,0,0|1,0,1]=4 7430 B13R1.202 O=C([O-])C(F)O[C@@H]1CCCC[C@H]1F 34a_100009816020_100020610796 [0,2,0,0,0,0|1,0,1]=4 7431 B13R1.202 O=C([O-])C(F)SC1CCCCC1F 62a_100015423560_100020610796 [0,2,0,0,0,0|1,0,1]=4 7432 B13R1.202 O=C([O-])C(F)SC1CCCCC1F 62a_100020610796_100015423560 [0,2,0,0,0,0|1,0,1]=4 7433 B13R1.202 O=C([O-])C(F)SC1CCCCC1O 62a_100000038908_100020610796 [0,2,0,0,0,0|1,0,1]=4 7434 B13R1.202 O=C([O-])C(F)SC1CCCCC1O 62a_100020610796_100000038908 [0,2,0,0,0,0|1,0,1]=4 7435 B13R1.418 C=C[C@H](NC1CCCCC1)C(=O)O 269956a_100016992060_100000210327 [0,2,0,0,0,0|1,0,0]=3 7436 B13R1.418 C=C[C@H](NC1CCCOC1)C(=O)O 269956a_100016992060_100000693364 [0,2,0,0,0,0|2,0,0]=4 7437 B13R1.418 C=C[C@H](NC1CCOCC1)C(=O)O 269956a_100016992060_100011324220 [0,2,0,0,0,0|2,0,0]=4 7438 B13R1.418 C=C[C@H](NC1CCSCC1)C(=O)O 269956a_100016992060_100000069128 [0,2,0,0,0,0|2,0,0]=4 7439 B13R1.418 CCC(NC1CCCCC1)C(=O)N 2230a_100000182618_100000750255 [0,2,0,0,0,0|2,0,0]=4 7440 B13R1.418 CCC(NC1CCCCC1)C(=O)N 34a_100000182618_100000750255 [0,2,0,0,0,0|2,0,0]=4 7441 B13R1.418 CCC(NC1CCCCC1)C(=O)N 34a_100000733705_100000210327 [0,2,0,0,0,0|2,0,0]=4 7442 B13R1.418 CCC(OC1CCCCC1)C(=O)N 34a_100000210231_100000750255 [0,2,0,0,0,0|2,0,0]=4 7443 B13R1.418 CCC(OC1CCCCC1)C(=O)N 7a_100000210231_100000750255 [0,2,0,0,0,0|2,0,0]=4 7444 B13R1.418 CCC(SC1CCCCC1)C(=O)N 62a_100000210327_100000750255 [0,2,0,0,0,0|2,0,0]=4 7445 B13R1.418 CCC(SC1CCCCC1)C(=O)N 62a_100000750255_100000210327 [0,2,0,0,0,0|2,0,0]=4 7446 B13R1.418 CC[C@@H](NC1CCCCC1)C(=O)O 269956a_100000747097_100000210327 [0,2,0,0,0,0|1,0,0]=3 7447 B13R1.418 CC[C@@H](NC1CCCOC1)C(=O)O 269956a_100000747097_100000693364 [0,2,0,0,0,0|2,0,0]=4 7448 B13R1.418 CC[C@@H](NC1CCOCC1)C(=O)O 269956a_100000747097_100011324220 [0,2,0,0,0,0|2,0,0]=4 7449 B13R1.418 CC[C@@H](NC1CCSCC1)C(=O)O 269956a_100000747097_100000069128 [0,2,0,0,0,0|2,0,0]=4 7450 B13R1.418 CN[C@@H](CC1CCCCC1)C(=O)N 2230a_200025703520_200000210301 [0,2,0,0,0,0|1,0,0]=3 7451 B13R1.418 CN[C@@H](CC1CCCCC1)C(=O)N 34a_200025703520_200000210301 [0,2,0,0,0,0|1,0,0]=3 7452 B13R1.418 N#CC(NC1CCCCC1)C(=O)N 270004a_100000039599_100000210434 [0,2,0,0,0,0|2,0,0]=4 7453 B13R1.418 NC(=O)[C@H](CO)NC1CCCCC1 270004a_100000729942_100000210434 [0,2,0,0,0,0|2,0,0]=4 7454 B13R1.418 NC(=O)[C@H](CO)NC1CCCCC1 34a_100000729942_100000210327 [0,2,0,0,0,0|2,0,0]=4 7455 B13R1.418 O=C(O)C(CO)NC1CCCCC1 269956a_100000187304_100000210327 [0,2,0,0,0,0|1,0,0]=3 7456 B13R1.418 O=C(O)C(CO)NC1CCCOC1 269956a_100000187304_100000693364 [0,2,0,0,0,0|2,0,0]=4 7457 B13R1.418 O=C(O)C(CO)NC1CCOCC1 269956a_100000187304_100011324220 [0,2,0,0,0,0|2,0,0]=4 7458 B13R1.418 O=C(O)C(CO)NC1CCSCC1 269956a_100000187304_100000069128 [0,2,0,0,0,0|2,0,0]=4 7459 B13R1.418 [13CH3]N[C@@H](CC1CCCCC1)C(=O)N 2230a_200025703520_200025704644 [0,2,0,0,0,0|1,0,0]=3 7460 B13R1.418 [13CH3]N[C@@H](CC1CCCCC1)C(=O)N 34a_200025703520_200025704644 [0,2,0,0,0,0|1,0,0]=3 7461 B13R1.1073 CC(=O)C(C)(C)OC1CCCCC1 34a_100000747739_100000210327 [0,2,0,0,0,0|2,0,0]=4 7462 B13R1.1073 CC(=O)C(C)(C)OC1CCCCC1 7a_100000210231_100000075568 [0,2,0,0,0,0|2,0,0]=4 7463 B13R1.1073 CC(=O)C(C)(C)OC1CCCCC1 7a_100000747739_100000210327 [0,2,0,0,0,0|2,0,0]=4 7464 B13R1.1073 CC(=O)C(C)(C)SC1CCCCC1 62a_100000075568_100000210327 [0,2,0,0,0,0|2,0,0]=4 7465 B13R1.1073 CC(=O)C(C)(C)SC1CCCCC1 62a_100000210327_100000075568 [0,2,0,0,0,0|2,0,0]=4 7466 B13R1.1073 CC(C)(NC1CCCCC1)C(=O)N 2230a_100000182618_100000702505 [0,2,0,0,0,0|2,0,0]=4 7467 B13R1.1073 CC(C)(NC1CCCCC1)C(=O)N 34a_100000182618_100000702505 [0,2,0,0,0,0|2,0,0]=4 7468 B13R1.1073 CC(C)(NC1CCCCC1)C(=O)N 34a_100000743658_100000210327 [0,2,0,0,0,0|2,0,0]=4 7469 B13R1.1073 CC(C)(OC1CCCCC1)C(=O)N 34a_100000210231_100000702505 [0,2,0,0,0,0|2,0,0]=4 7470 B13R1.1073 CC(C)(OC1CCCCC1)C(=O)N 34a_100011626353_100000210327 [0,2,0,0,0,0|2,0,0]=4 7471 B13R1.1073 CC(C)(OC1CCCCC1)C(=O)N 7a_100000210231_100000702505 [0,2,0,0,0,0|2,0,0]=4 7472 B13R1.1073 CC(C)(OC1CCCCC1)C(=O)N 7a_100011626353_100000210327 [0,2,0,0,0,0|2,0,0]=4 7473 B13R1.1073 CC(C)(SC1CCCCC1)C(=O)N 62a_100000210327_100000702505 [0,2,0,0,0,0|2,0,0]=4 7474 B13R1.1073 CC(C)(SC1CCCCC1)C(=O)N 62a_100000702505_100000210327 [0,2,0,0,0,0|2,0,0]=4 7475 B13R1.1073 NC(=O)C(F)(F)OC1CCCCC1 7a_100000210231_100009811971 [0,2,0,0,0,0|2,0,0]=4 7476 B13R1.1073 NC(=O)C(F)(F)SC1CCCCC1 62a_100000210327_100009811971 [0,2,0,0,0,0|2,0,0]=4 7477 B13R1.1073 NC(=O)C(F)(F)SC1CCCCC1 62a_100009811971_100000210327 [0,2,0,0,0,0|2,0,0]=4 7478 B13R1.1073 O=C([O-])C(F)(F)NC1CCCCC1 34a_100000182618_100020612412 [0,2,0,0,0,0|1,0,1]=4 7479 B13R1.1073 O=C([O-])C(F)(F)OC1CCCCC1 34a_100000210231_100020612412 [0,2,0,0,0,0|1,0,1]=4 7480 B13R1.1073 O=C([O-])C(F)(F)SC1CCCCC1 62a_100000210327_100000745680 [0,2,0,0,0,0|1,0,1]=4 7481 B13R1.1073 O=C([O-])C(F)(F)SC1CCCCC1 62a_100000745680_100000210327 [0,2,0,0,0,0|1,0,1]=4 7482 B13R1.6154 CC(=O)C(C)NC1(CCCCC1)C 2230a_100000741114_100009814033 [0,2,0,0,0,0|2,0,0]=4 7483 B13R1.6154 CC(=O)C(C)OC1(CCCCC1)C 7a_100011215885_100000179758 [0,2,0,0,0,0|2,0,0]=4 7484 B13R1.6154 CC(NC1(CCCCC1)C)C(=O)N 2230a_100000741114_100000702099 [0,2,0,0,0,0|2,0,0]=4 7485 B13R1.6154 CC(NC1(CCCCC1)C)C(=O)N 34a_100000741114_100000702099 [0,2,0,0,0,0|2,0,0]=4 7486 B13R1.6154 CC(OC1(CCCCC1)C)C(=O)N 34a_100011215885_100000702099 [0,2,0,0,0,0|2,0,0]=4 7487 B13R1.6154 CC(OC1(CCCCC1)C)C(=O)N 7a_100011215885_100000702099 [0,2,0,0,0,0|2,0,0]=4 7488 B13R1.6154 CC1(CCCCC1)NC(F)C(=O)N 2230a_100000741114_100009813875 [0,2,0,0,0,0|2,0,0]=4 7489 B13R1.6154 CC1(CCCCC1)NC(F)C(=O)N 34a_100000741114_100009813875 [0,2,0,0,0,0|2,0,0]=4 7490 B13R1.6154 CC1(CCCCC1)NC(F)C(=O)[O-] 34a_100000741114_100020610796 [0,2,0,0,0,0|1,0,1]=4 7491 B13R1.6154 CC1(CCCCC1)OC(F)C(=O)N 34a_100011215885_100009813875 [0,2,0,0,0,0|2,0,0]=4 7492 B13R1.6154 CC1(CCCCC1)OC(F)C(=O)N 7a_100011215885_100009813875 [0,2,0,0,0,0|2,0,0]=4 7493 B13R1.6154 CC1(CCCCC1)OC(F)C(=O)[O-] 34a_100011215885_100020610796 [0,2,0,0,0,0|1,0,1]=4 7494 B13R1.147 CC1CCCC(C1)C(=O)CC(=O)N 1458a_100011215569_100000187820 [0,2,0,0,0,0|1,0,1]=4 7495 B13R1.147 CC1CCCC(C1)C(=O)CC(=O)[O-] 1458a_100011215569_100020667443 [0,2,0,0,0,0|0,0,2]=4 7496 B13R1.147 CC1CCCC(C1)N(C)CC(=O)N 270004a_100000739694_100000183594 [0,2,0,0,0,0|2,0,0]=4 7497 B13R1.147 CN(CC(=O)N)C1CCCC(C1)O 270004a_100000739694_100012613340 [0,2,0,0,0,0|2,0,0]=4 7498 B13R1.147 NC(=O)CC(=O)C1CCCC(C1)O 1458a_100000707227_100000187820 [0,2,0,0,0,0|1,0,1]=4 7499 B13R1.147 O=C([O-])CC(=O)C1CCCC(C1)O 1458a_100000707227_100020667443 [0,2,0,0,0,0|0,0,2]=4 7500 B13R1.201 CC1CCCCC1C(=O)CC(=O)N 1458a_100011215568_100000187820 [0,2,0,0,0,0|1,0,1]=4 7501 B13R1.201 CC1CCCCC1C(=O)CC(=O)[O-] 1458a_100011215568_100020667443 [0,2,0,0,0,0|0,0,2]=4 7502 B13R1.201 CC1CCCCC1N(C)CC(=O)N 270004a_100000739694_100000210921 [0,2,0,0,0,0|2,0,0]=4 7503 B13R1.201 CN(CC(=O)N)[C@@H]1CCCC[C@H]1O 269982a_100000708425_100000187820 [0,2,0,0,0,0|2,0,0]=4 7504 B13R1.201 CN(CC(=O)O)C1CCCCC1=O 269956a_100000746989_100000204591 [0,2,0,0,0,0|1,0,1]=4 7505 B13R1.201 CN(CC(=O)O)C1CCCCC1F 269956a_100000746989_100015423560 [0,2,0,0,0,0|1,0,0]=3 7506 B13R1.201 CN(CC(=O)O)C1CCCCC1O 269956a_100000746989_100000038908 [0,2,0,0,0,0|1,0,0]=3 7507 B13R1.201 CN(CC(=O)[O-])[C@@H]1CCCC[C@H]1O 269982a_100000708425_100020667443 [0,2,0,0,0,0|1,0,1]=4 7508 B13R1.201 NC(=O)CC(=O)C1CCCCC1O 1458a_100011803323_100000187820 [0,2,0,0,0,0|1,0,1]=4 7509 B13R1.201 O=C([O-])CC(=O)C1CCCCC1O 1458a_100011803323_100020667443 [0,2,0,0,0,0|0,0,2]=4 7510 B13R1.713 CC(=O)NC(C#N)C1CCCCC1 11a_100000767018_100015343762 [0,2,0,0,0,0|2,0,0]=4 7511 B13R1.713 CC(=O)NC(C#N)C1CCCCC1 1626a_100000767018_100015343762 [0,2,0,0,0,0|2,0,0]=4 7512 B13R1.713 CC(=O)NC(C#N)C1CCCCC1 240690a_100000767018_100015343762 [0,2,0,0,0,0|2,0,0]=4 7513 B13R1.713 CC(=O)NC(C#N)C1CCCCC1 527a_100000767018_100103153847 [0,2,0,0,0,0|2,0,0]=4 7514 B13R1.713 CC(=O)N[C@@H](CO)C1CCCCC1 240690a_100009817630_100015343762 [0,2,0,0,0,0|2,0,0]=4 7515 B13R1.713 CC(=O)N[C@@H](CO)C1CCCCC1 527a_100009817630_100103153847 [0,2,0,0,0,0|2,0,0]=4 7516 B13R1.713 CCN(CC(=O)N)C1CCCCC1 2230a_100000201195_100000747473 [0,2,0,0,0,0|2,0,0]=4 7517 B13R1.713 CCN(CC(=O)N)C1CCCCC1 269982a_100000201195_100000187820 [0,2,0,0,0,0|2,0,0]=4 7518 B13R1.713 CCN(CC(=O)N)C1CCCCC1 34a_100000201195_100000187820 [0,2,0,0,0,0|2,0,0]=4 7519 B13R1.713 CCN(CC(=O)O)C1CCCCC1 269956a_100000746405_100000210327 [0,2,0,0,0,0|1,0,0]=3 7520 B13R1.713 CCN(CC(=O)O)C1CCCOC1 269956a_100000746405_100000693364 [0,2,0,0,0,0|2,0,0]=4 7521 B13R1.713 CCN(CC(=O)O)C1CCOCC1 269956a_100000746405_100011324220 [0,2,0,0,0,0|2,0,0]=4 7522 B13R1.713 CCN(CC(=O)O)C1CCSCC1 269956a_100000746405_100000069128 [0,2,0,0,0,0|2,0,0]=4 7523 B13R1.713 CCN(CC(=O)[O-])C1CCCCC1 269982a_100000201195_100020667443 [0,2,0,0,0,0|1,0,1]=4 7524 B13R1.713 CCN(CC(=O)[O-])C1CCCCC1 34a_100000201195_100020667443 [0,2,0,0,0,0|1,0,1]=4 7525 B13R1.713 CC[C@H](NC(=O)C)C1CCCCC1 11a_100020639352_100015343762 [0,2,0,0,0,0|2,0,0]=4 7526 B13R1.713 CC[C@H](NC(=O)C)C1CCCCC1 1626a_100020639352_100015343762 [0,2,0,0,0,0|2,0,0]=4 7527 B13R1.713 CC[C@H](NC(=O)C)C1CCCCC1 240690a_100020639352_100015343762 [0,2,0,0,0,0|2,0,0]=4 7528 B13R1.713 CC[C@H](NC(=O)C)C1CCCCC1 527a_100020639352_100103153847 [0,2,0,0,0,0|2,0,0]=4 7529 B13R1.713 CNC(CC(=O)O)C1CCCCC1 269956a_100102721385_200000210301 [0,2,0,0,0,0|0,0,0]=2 7530 B13R1.713 O=C([O-])CN(CO)C1CCCCC1 269956a_100016989150_100000210327 [0,2,0,0,0,0|1,0,1]=4 7531 B13R1.713 [13CH3]NC(CC(=O)O)C1CCCCC1 269956a_100102721385_200025704644 [0,2,0,0,0,0|0,0,0]=2 7532 B13R1.7467 CC1(CCCCC1)C(=O)CC(=O)N 1458a_100000762840_100000187820 [0,2,0,0,0,0|1,0,1]=4 7533 B13R1.7467 CC1(CCCCC1)C(=O)CC(=O)[O-] 1458a_100000762840_100020667443 [0,2,0,0,0,0|0,0,2]=4 7534 B13R1.7467 NC(=O)CC(=O)C1(CCCCC1)F 1458a_100000069003_100000187820 [0,2,0,0,0,0|1,0,1]=4 7535 B13R1.7467 NC(=O)CC(=O)C1(CCCCC1)O 1458a_100000242742_100000187820 [0,2,0,0,0,0|1,0,1]=4 7536 B13R1.7467 O=C([O-])CC(=O)C1(CCCCC1)F 1458a_100000069003_100020667443 [0,2,0,0,0,0|0,0,2]=4 7537 B13R1.7467 O=C([O-])CC(=O)C1(CCCCC1)O 1458a_100000242742_100020667443 [0,2,0,0,0,0|0,0,2]=4 7538 B13R1.90 C#CC1CCCCN1CCC(=O)C 269982a_200020621307_100000053229 [0,2,0,0,0,0|2,0,0]=4 7539 B13R1.90 C#CC1CCCCN1CCC(=O)N 2230a_200020621307_100000744528 [0,2,0,0,0,0|2,0,0]=4 7540 B13R1.90 C#CC1CCCCN1CCC(=O)N 269982a_200020621307_100000744528 [0,2,0,0,0,0|2,0,0]=4 7541 B13R1.90 C#CC1CCCCN1CCC(=O)N 34a_200020621307_100000731001 [0,2,0,0,0,0|2,0,0]=4 7542 B13R1.90 CC(=O)CCN1CCCCC1CO 269982a_100000210821_100000053229 [0,2,0,0,0,0|2,0,0]=4 7543 B13R1.90 CCC1CCCCC1OCC(=O)N 34a_100000210738_100000187820 [0,2,0,0,0,0|2,0,0]=4 7544 B13R1.90 CCC1CCCCC1OCC(=O)N 7a_100000210738_100000187820 [0,2,0,0,0,0|2,0,0]=4 7545 B13R1.90 CCC1CCCCC1OCC(=O)[O-] 34a_100000210738_100020667443 [0,2,0,0,0,0|1,0,1]=4 7546 B13R1.90 CCC1CCCCN1CCC(=O)C 269982a_100000210034_100000053229 [0,2,0,0,0,0|2,0,0]=4 7547 B13R1.90 CCC1CCCCN1CCC(=O)N 2230a_100000210034_100000744528 [0,2,0,0,0,0|2,0,0]=4 7548 B13R1.90 CCC1CCCCN1CCC(=O)N 269982a_100000210034_100000744528 [0,2,0,0,0,0|2,0,0]=4 7549 B13R1.90 CCC1CCCCN1CCC(=O)N 34a_100000210034_100000731001 [0,2,0,0,0,0|2,0,0]=4 7550 B13R1.90 CCN1CCCCC1CCC(=O)O 269956a_100000694054_100000210202 [0,2,0,0,0,0|1,0,0]=3 7551 B13R1.90 CN[C@@H]1CCCC[C@H]1OCC(=O)N 34a_100000708425_100000187820 [0,2,0,0,0,0|2,0,0]=4 7552 B13R1.90 CN[C@@H]1CCCC[C@H]1OCC(=O)[O-] 34a_100000708425_100020667443 [0,2,0,0,0,0|1,0,1]=4 7553 B13R1.90 COC1CCCCC1NCC(=O)N 34a_100011208099_100000187820 [0,2,0,0,0,0|2,0,0]=4 7554 B13R1.90 COC1CCCCC1NCC(=O)[O-] 34a_100011208099_100020667443 [0,2,0,0,0,0|1,0,1]=4 7555 B13R1.90 CO[C@H]1CCCC[C@@H]1OCC(=O)N 34a_200009815850_100000187820 [0,2,0,0,0,0|2,0,0]=4 7556 B13R1.90 CO[C@H]1CCCC[C@@H]1OCC(=O)N 7a_200009815850_100000187820 [0,2,0,0,0,0|2,0,0]=4 7557 B13R1.90 CO[C@H]1CCCC[C@@H]1OCC(=O)[O-] 34a_200009815850_100020667443 [0,2,0,0,0,0|1,0,1]=4 7558 B13R1.90 N#CC1CCCCN1CCC(=O)N 34a_100016989756_100000731001 [0,2,0,0,0,0|2,0,0]=4 7559 B13R1.90 NC(=O)CCN1CCCCC1CO 2230a_100000210821_100000744528 [0,2,0,0,0,0|2,0,0]=4 7560 B13R1.90 NC(=O)CCN1CCCCC1CO 269982a_100000210821_100000744528 [0,2,0,0,0,0|2,0,0]=4 7561 B13R1.90 NC(=O)CCN1CCCCC1CO 34a_100000210821_100000731001 [0,2,0,0,0,0|2,0,0]=4 7562 B13R1.90 NCC1CCCCC1OCC(=O)N 34a_100011216029_100000187820 [0,2,0,0,0,0|2,0,0]=4 7563 B13R1.90 NCC1CCCCC1OCC(=O)[O-] 34a_100011216029_100020667443 [0,2,0,0,0,0|1,0,1]=4 7564 B13R1.90 O=C(O)CCC1CCCCN1CF 269956a_100000694054_100015361967 [0,2,0,0,0,0|1,0,0]=3 7565 B13R1.150 CC1CCCC(C1C)NCC(=O)N 2230a_100000211273_100000747473 [0,2,0,0,0,0|2,0,0]=4 7566 B13R1.150 CC1CCCC(C1C)NCC(=O)N 34a_100000211273_100000187820 [0,2,0,0,0,0|2,0,0]=4 7567 B13R1.150 CC1CCCC(C1C)NCC(=O)[O-] 34a_100000211273_100020667443 [0,2,0,0,0,0|1,0,1]=4 7568 B13R1.150 CC1CCCC(C1C)OCC(=O)N 34a_100011217532_100000187820 [0,2,0,0,0,0|2,0,0]=4 7569 B13R1.150 CC1CCCC(C1C)OCC(=O)N 7a_100011217532_100000187820 [0,2,0,0,0,0|2,0,0]=4 7570 B13R1.150 CC1CCCC(C1C)OCC(=O)[O-] 34a_100011217532_100020667443 [0,2,0,0,0,0|1,0,1]=4 7571 B13R1.893 CC1CCC(C(C1)OCC(=O)N)C 34a_100011217446_100000187820 [0,2,0,0,0,0|2,0,0]=4 7572 B13R1.893 CC1CCC(C(C1)OCC(=O)N)C 7a_100011217446_100000187820 [0,2,0,0,0,0|2,0,0]=4 7573 B13R1.893 CC1CCC(C(C1)OCC(=O)[O-])C 34a_100011217446_100020667443 [0,2,0,0,0,0|1,0,1]=4 7574 B13R1.3575 CC(=O)COC1CCCCC1(F)F 34a_100000211253_200009832135 [0,2,0,0,0,0|2,0,0]=4 7575 B13R1.3575 NC(=O)CNC1CCCCC1(F)F 2230a_100000686509_100000747473 [0,2,0,0,0,0|2,0,0]=4 7576 B13R1.3575 NC(=O)CNC1CCCCC1(F)F 34a_100000686509_100000187820 [0,2,0,0,0,0|2,0,0]=4 7577 B13R1.3575 NC(=O)CSC1CCCCC1(F)F 62a_100000747473_200009832135 [0,2,0,0,0,0|2,0,0]=4 7578 B13R1.3575 NC(=O)CSC1CCCCC1(F)F 62a_200009832135_100000747473 [0,2,0,0,0,0|2,0,0]=4 7579 B13R1.3575 O=C(O)CNC1CCCCC1(F)F 269956a_100016091260_200009832135 [0,2,0,0,0,0|1,0,0]=3 7580 B13R1.3575 O=C([O-])CNC1CCCCC1(F)F 34a_100000686509_100020667443 [0,2,0,0,0,0|1,0,1]=4 7581 B13R1.3575 O=C([O-])CSC1CCCCC1(F)F 62a_100020667443_200009832135 [0,2,0,0,0,0|1,0,1]=4 7582 B13R1.3575 O=C([O-])CSC1CCCCC1(F)F 62a_200009832135_100020667443 [0,2,0,0,0,0|1,0,1]=4 7583 B13R1.3787 CC(=O)CCN1C(CCCC1C)C 269982a_100000210447_100000053229 [0,2,0,0,0,0|2,0,0]=4 7584 B13R1.3787 CC1CCCC(C1OCC(=O)N)C 34a_100011218088_100000187820 [0,2,0,0,0,0|2,0,0]=4 7585 B13R1.3787 CC1CCCC(C1OCC(=O)N)C 7a_100011218088_100000187820 [0,2,0,0,0,0|2,0,0]=4 7586 B13R1.3787 CC1CCCC(C1OCC(=O)[O-])C 34a_100011218088_100020667443 [0,2,0,0,0,0|1,0,1]=4 7587 B13R1.3787 CC1CCCC(N1CCC(=O)N)C 2230a_100000210447_100000744528 [0,2,0,0,0,0|2,0,0]=4 7588 B13R1.3787 CC1CCCC(N1CCC(=O)N)C 269982a_100000210447_100000744528 [0,2,0,0,0,0|2,0,0]=4 7589 B13R1.3787 CC1CCCC(N1CCC(=O)N)C 34a_100000210447_100000731001 [0,2,0,0,0,0|2,0,0]=4 7590 B13R1.643 C#CC1CCCN(C1)CCC(=O)C 269982a_100015191679_100000053229 [0,2,0,0,0,0|2,0,0]=4 7591 B13R1.643 C#CC1CCCN(C1)CCC(=O)N 2230a_100015191679_100000744528 [0,2,0,0,0,0|2,0,0]=4 7592 B13R1.643 C#CC1CCCN(C1)CCC(=O)N 269982a_100015191679_100000744528 [0,2,0,0,0,0|2,0,0]=4 7593 B13R1.643 C#CC1CCCN(C1)CCC(=O)N 34a_100015191679_100000731001 [0,2,0,0,0,0|2,0,0]=4 7594 B13R1.643 CC(=O)CCN1CCCC(C1)C#N 269982a_206835378768_100000053229 [0,2,0,0,0,0|2,0,0]=4 7595 B13R1.643 CC(=O)CCN1CCCC(C1)CF 269982a_100016992999_100000053229 [0,2,0,0,0,0|2,0,0]=4 7596 B13R1.643 CC(=O)CCN1CCCC(C1)CO 269982a_100000211344_100000053229 [0,2,0,0,0,0|2,0,0]=4 7597 B13R1.643 CCC1CCCC(C1)OCC(=O)N 7a_100011985506_100000187820 [0,2,0,0,0,0|2,0,0]=4 7598 B13R1.643 CCN1CCCC(C1)CCC(=O)N 2230a_100011533967_100000210202 [0,2,0,0,0,0|2,0,0]=4 7599 B13R1.643 CCN1CCCC(C1)CCC(=O)N 269982a_100011533967_100000204670 [0,2,0,0,0,0|2,0,0]=4 7600 B13R1.643 CCN1CCCC(C1)CCC(=O)N 34a_100011533967_100000210202 [0,2,0,0,0,0|2,0,0]=4 7601 B13R1.643 COC1CCCN(C1)CCC(=O)C 269982a_100000695604_100000053229 [0,2,0,0,0,0|2,0,0]=4 7602 B13R1.643 COC1CCCN(C1)CCC(=O)N 2230a_100000695604_100000744528 [0,2,0,0,0,0|2,0,0]=4 7603 B13R1.643 COC1CCCN(C1)CCC(=O)N 269982a_100000695604_100000744528 [0,2,0,0,0,0|2,0,0]=4 7604 B13R1.643 COC1CCCN(C1)CCC(=O)N 34a_100000695604_100000731001 [0,2,0,0,0,0|2,0,0]=4 7605 B13R1.643 N#CC1CCCN(C1)CCC(=O)N 2230a_100016989302_100000744528 [0,2,0,0,0,0|2,0,0]=4 7606 B13R1.643 N#CC1CCCN(C1)CCC(=O)N 269982a_206835378768_100000744528 [0,2,0,0,0,0|2,0,0]=4 7607 B13R1.643 NC(=O)CCC1CCCN(C1)CF 269982a_100011533967_100015361967 [0,2,0,0,0,0|2,0,0]=4 7608 B13R1.643 NC(=O)CCC1CCCN(C1)CF 34a_100011533967_100015361967 [0,2,0,0,0,0|2,0,0]=4 7609 B13R1.643 NC(=O)CCN1CCCC(C1)CF 2230a_100016992999_100000744528 [0,2,0,0,0,0|2,0,0]=4 7610 B13R1.643 NC(=O)CCN1CCCC(C1)CF 269982a_100016992999_100000744528 [0,2,0,0,0,0|2,0,0]=4 7611 B13R1.643 NC(=O)CCN1CCCC(C1)CF 34a_100016992999_100000731001 [0,2,0,0,0,0|2,0,0]=4 7612 B13R1.643 NC(=O)CCN1CCCC(C1)CO 2230a_100000211344_100000744528 [0,2,0,0,0,0|2,0,0]=4 7613 B13R1.643 NC(=O)CCN1CCCC(C1)CO 269982a_100000211344_100000744528 [0,2,0,0,0,0|2,0,0]=4 7614 B13R1.643 NC(=O)CCN1CCCC(C1)CO 34a_100000211344_100000731001 [0,2,0,0,0,0|2,0,0]=4 7615 B13R1.643 NCC1CCCC(C1)OCC(=O)N 34a_100011254705_100000187820 [0,2,0,0,0,0|2,0,0]=4 7616 B13R1.643 NCC1CCCC(C1)OCC(=O)[O-] 34a_100011254705_100020667443 [0,2,0,0,0,0|1,0,1]=4 7617 B13R1.1035 CC(=O)CCN1CCCC(C1)(C)C 269982a_100000716857_100000053229 [0,2,0,0,0,0|2,0,0]=4 7618 B13R1.1035 CC(=O)CCN1CCCC(C1)(C)O 269982a_100000695535_100000053229 [0,2,0,0,0,0|2,0,0]=4 7619 B13R1.1035 CC(=O)CCN1CCCC(C1)(F)F 269982a_100000732682_100000053229 [0,2,0,0,0,0|2,0,0]=4 7620 B13R1.1035 CC1(CC(CCO1)NCC(=O)O)C 269956a_100016091260_100010191092 [0,2,0,0,0,0|2,0,0]=4 7621 B13R1.1035 CC1(CCCC(C1)OCC(=O)N)C 7a_100011995757_100000187820 [0,2,0,0,0,0|2,0,0]=4 7622 B13R1.1035 CC1(CCCN(C1)CCC(=O)N)C 2230a_100000716857_100000744528 [0,2,0,0,0,0|2,0,0]=4 7623 B13R1.1035 CC1(CCCN(C1)CCC(=O)N)C 269982a_100000716857_100000744528 [0,2,0,0,0,0|2,0,0]=4 7624 B13R1.1035 CC1(CCCN(C1)CCC(=O)N)C 34a_100000716857_100000731001 [0,2,0,0,0,0|2,0,0]=4 7625 B13R1.1035 CC1(CCCN(C1)CCC(=O)N)O 2230a_100000695535_100000744528 [0,2,0,0,0,0|2,0,0]=4 7626 B13R1.1035 CC1(CCCN(C1)CCC(=O)N)O 269982a_100000695535_100000744528 [0,2,0,0,0,0|2,0,0]=4 7627 B13R1.1035 NC(=O)CCN1CCCC(C1)(F)F 2230a_100000732682_100000744528 [0,2,0,0,0,0|2,0,0]=4 7628 B13R1.1035 NC(=O)CCN1CCCC(C1)(F)F 269982a_100000732682_100000744528 [0,2,0,0,0,0|2,0,0]=4 7629 B13R1.1035 NC(=O)CCN1CCCC(C1)(F)F 34a_100000732682_100000731001 [0,2,0,0,0,0|2,0,0]=4 7630 B13R1.3420 CC(=O)CCN1CC(CC(C1)C)C 269982a_100000210448_100000053229 [0,2,0,0,0,0|2,0,0]=4 7631 B13R1.3420 CC1CC(CN(C1)CCC(=O)N)C 2230a_100000210448_100000744528 [0,2,0,0,0,0|2,0,0]=4 7632 B13R1.3420 CC1CC(CN(C1)CCC(=O)N)C 269982a_100000210448_100000744528 [0,2,0,0,0,0|2,0,0]=4 7633 B13R1.3420 CC1CC(CN(C1)CCC(=O)N)C 34a_100000210448_100000731001 [0,2,0,0,0,0|2,0,0]=4 7634 B13R1.5993 C#CC1(CCCCC1)NCC(=O)N 2230a_100132314160_100000747473 [0,2,0,0,0,0|2,0,0]=4 7635 B13R1.5993 C#CC1(CCCCC1)NCC(=O)N 34a_100132314160_100000187820 [0,2,0,0,0,0|2,0,0]=4 7636 B13R1.5993 C#CC1(CCCCC1)NCC(=O)[O-] 34a_100132314160_100020667443 [0,2,0,0,0,0|1,0,1]=4 7637 B13R1.5993 C#CC1(CCCCC1)OCC(=O)N 34a_100011215672_100000187820 [0,2,0,0,0,0|2,0,0]=4 7638 B13R1.5993 C#CC1(CCCCC1)OCC(=O)N 7a_100011215672_100000187820 [0,2,0,0,0,0|2,0,0]=4 7639 B13R1.5993 C#CC1(CCCCC1)OCC(=O)[O-] 34a_100011215672_100020667443 [0,2,0,0,0,0|1,0,1]=4 7640 B13R1.5993 C=CC1(CCCCC1)OCC(=O)N 34a_200011934219_100000187820 [0,2,0,0,0,0|2,0,0]=4 7641 B13R1.5993 C=CC1(CCCCC1)OCC(=O)N 7a_200011934219_100000187820 [0,2,0,0,0,0|2,0,0]=4 7642 B13R1.5993 C=CC1(CCCCC1)OCC(=O)[O-] 34a_200011934219_100020667443 [0,2,0,0,0,0|1,0,1]=4 7643 B13R1.5993 CCC1(CCCCC1)OCC(=O)N 34a_100011216009_100000187820 [0,2,0,0,0,0|2,0,0]=4 7644 B13R1.5993 CCC1(CCCCC1)OCC(=O)N 7a_100011216009_100000187820 [0,2,0,0,0,0|2,0,0]=4 7645 B13R1.5993 CCC1(CCCCC1)OCC(=O)[O-] 34a_100011216009_100020667443 [0,2,0,0,0,0|1,0,1]=4 7646 B13R1.5993 N#CC1(CCCCC1)NCC(=O)N 34a_100000184641_100000187820 [0,2,0,0,0,0|2,0,0]=4 7647 B13R1.5993 N#CC1(CCCCC1)NCC(=O)[O-] 34a_100000184641_100020667443 [0,2,0,0,0,0|1,0,1]=4 7648 B13R1.5993 NC(=O)CNC1(CCCCC1)CO 2230a_100000740034_100000747473 [0,2,0,0,0,0|2,0,0]=4 7649 B13R1.5993 NC(=O)CNC1(CCCCC1)CO 34a_100000740034_100000187820 [0,2,0,0,0,0|2,0,0]=4 7650 B13R1.5993 NCC1(CCCCC1)OCC(=O)N 34a_100000748649_100000187820 [0,2,0,0,0,0|2,0,0]=4 7651 B13R1.5993 NCC1(CCCCC1)OCC(=O)[O-] 34a_100000748649_100020667443 [0,2,0,0,0,0|1,0,1]=4 7652 B13R1.5993 O=C([O-])CNC1(CCCCC1)CO 34a_100000740034_100020667443 [0,2,0,0,0,0|1,0,1]=4 7653 B11R1.27 CCCCOC1CCC(=O)C1 34a_100012614533_100000210210 [0,0,1,1,0,0|2,0,0]=4 7654 B11R1.27 CCCCOC1COC(=O)O1 34a_100000210227_100000032252 [0,0,1,1,0,0|2,0,0]=4 7655 B11R1.27 CCCCSC1COC(=O)O1 62a_100000210211_100000032252 [0,0,1,1,0,0|2,0,0]=4 7656 B11R1.27 CCCNC[C@H]1CCC(=O)N1 2230a_100015423886_100000210303 [0,0,1,1,0,0|2,0,0]=4 7657 B11R1.27 CCCNC[C@H]1CCC(=O)N1 34a_100015423886_100000210303 [0,0,1,1,0,0|2,0,0]=4 7658 B11R1.27 CCCOCC1CCC(=O)N1 34a_100000737831_100000210303 [0,0,1,1,0,0|2,0,0]=4 7659 B11R1.27 CCCOCC1CNC(=O)O1 34a_100000210258_100000181169 [0,0,1,1,0,0|2,0,0]=4 7660 B11R1.27 CCCOCC1CNC(=O)O1 34a_100011315639_100000210303 [0,0,1,1,0,0|2,0,0]=4 7661 B11R1.27 CCCOCC1COC(=O)O1 34a_100000210258_100000073702 [0,0,1,1,0,0|2,0,0]=4 7662 B11R1.27 CCCSCC1CNC(=O)O1 62a_100000181169_100000210303 [0,0,1,1,0,0|2,0,0]=4 7663 B11R1.27 CCCSCC1CNC(=O)O1 62a_100000210303_100000181169 [0,0,1,1,0,0|2,0,0]=4 7664 B11R1.27 CCCSCC1COC(=O)O1 62a_100000073702_100000210303 [0,0,1,1,0,0|2,0,0]=4 7665 B11R1.27 CCCSCC1COC(=O)O1 62a_100000210303_100000073702 [0,0,1,1,0,0|2,0,0]=4 7666 B11R1.27 CCCSC[C@@H]1CCC(=O)N1 62a_100000210303_100015189358 [0,0,1,1,0,0|2,0,0]=4 7667 B11R1.27 CCCSC[C@@H]1CCC(=O)N1 62a_100015189358_100000210303 [0,0,1,1,0,0|2,0,0]=4 7668 B11R1.53 CCC1CCCCN1C(=O)C 11a_100000210034_100015343762 [0,0,1,1,0,0|2,0,0]=4 7669 B11R1.53 CCC1CCCCN1C(=O)C 1626a_100000210034_100015343762 [0,0,1,1,0,0|2,0,0]=4 7670 B11R1.53 CCC1CCCCN1C(=O)C 240690a_100000210034_100015343762 [0,0,1,1,0,0|2,0,0]=4 7671 B11R1.53 CCC1CCCCN1C(=O)C 527a_100000210034_100103153847 [0,0,1,1,0,0|2,0,0]=4 7672 B11R1.53 CCN1CCCCC1C(=O)C 1458a_100000743832_200000210301 [0,0,1,1,0,0|2,0,0]=4 7673 B11R1.53 CCN1CCCCC1C(=O)N 2230a_100000181395_100000210202 [0,0,1,1,0,0|2,0,0]=4 7674 B11R1.53 CCN1CCCCC1C(=O)N 269982a_100000181395_100000204670 [0,0,1,1,0,0|2,0,0]=4 7675 B11R1.53 CCN1CCCCC1C(=O)N 34a_100000181395_100000210202 [0,0,1,1,0,0|2,0,0]=4 7676 B11R1.53 CCN1CCCCC1C(=O)[13CH3] 1458a_100000743832_200025704644 [0,0,1,1,0,0|2,0,0]=4 7677 B11R1.53 CCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000210202 [0,0,1,1,0,0|1,0,0]=3 7678 B11R1.53 CCN1CCOC[C@@H]1C(=O)O 269956a_100016993156_100000210202 [0,0,1,1,0,0|2,0,0]=4 7679 B11R1.53 CCN1CCSCC1C(=O)O 269956a_100011346106_100000210202 [0,0,1,1,0,0|2,0,0]=4 7680 B11R1.53 CCN1CSCCC1C(=O)O 269956a_100015185162_100000210202 [0,0,1,1,0,0|2,0,0]=4 7681 B11R1.53 CN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_200000210301 [0,0,1,1,0,0|1,0,0]=3 7682 B11R1.53 O=C(O)[C@H]1CCCCN1CF 269956a_100000763471_100015361967 [0,0,1,1,0,0|2,0,0]=4 7683 B11R1.53 [13CH3]N[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_200025704644 [0,0,1,1,0,0|1,0,0]=3 7684 B11R1.57 CCC1CCCN1CC(=O)N 2230a_100000754278_100000747473 [0,0,1,1,0,0|2,0,0]=4 7685 B11R1.57 CCC1CCCN1CC(=O)N 269982a_100000754278_100000187820 [0,0,1,1,0,0|2,0,0]=4 7686 B11R1.57 CCC1CCCN1CC(=O)N 34a_100000754278_100000187820 [0,0,1,1,0,0|2,0,0]=4 7687 B11R1.57 CCC1CCCN1CC(=O)[O-] 269982a_100000754278_100020667443 [0,0,1,1,0,0|1,0,1]=4 7688 B11R1.57 CCC1CCCN1CC(=O)[O-] 34a_100000754278_100020667443 [0,0,1,1,0,0|1,0,1]=4 7689 B11R1.78 CCCCCSC1CC(=O)C1 62a_100009894365_100000210326 [0,0,1,1,0,0|2,0,0]=4 7690 B11R1.78 CCCCNCC1CC(=O)C1 2230a_100000102301_100009874392 [0,0,1,1,0,0|2,0,0]=4 7691 B11R1.78 CCCCNCC1CC(=O)C1 7a_106832991798_100009874392 [0,0,1,1,0,0|2,0,0]=4 7692 B11R1.78 CCCCOCC1CC(=O)C1 34a_100000101936_100000210210 [0,0,1,1,0,0|2,0,0]=4 7693 B11R1.78 CCCCOCC1CC(=O)C1 7a_100000210227_100009874392 [0,0,1,1,0,0|2,0,0]=4 7694 B11R1.78 CCCCSCC1CC(=O)C1 62a_100000210211_100009874392 [0,0,1,1,0,0|2,0,0]=4 7695 B11R1.78 CCCCSCC1CC(=O)C1 62a_100009874392_100000210210 [0,0,1,1,0,0|2,0,0]=4 7696 B11R1.102 CC(=O)CCOCC1CC1C 7a_100000744939_100000053229 [0,0,1,1,0,0|2,0,0]=4 7697 B11R1.102 CC1CC1COCCC(=O)N 34a_100000744939_100000731001 [0,0,1,1,0,0|2,0,0]=4 7698 B11R1.102 CC1CC1COCCC(=O)N 7a_100000744939_100000744528 [0,0,1,1,0,0|2,0,0]=4 7699 B11R1.143 CC(=O)C1CCCCCN1C 1458a_100015187800_200000210301 [0,0,1,1,0,0|2,0,0]=4 7700 B11R1.143 CN1CCCCCC1C(=O)O 269956a_100000758484_200000210301 [0,0,1,1,0,0|1,0,0]=3 7701 B11R1.143 CN1CCCCCC1C(=O)[13CH3] 1458a_100015187800_200025704644 [0,0,1,1,0,0|2,0,0]=4 7702 B11R1.143 [13CH3]N1CCCCCC1C(=O)O 269956a_100000758484_200025704644 [0,0,1,1,0,0|1,0,0]=3 7703 B11R1.161 CC(=O)CCCN1CCC1C 269982a_100000755817_100011215641 [0,0,1,1,0,0|2,0,0]=4 7704 B11R1.161 CC(=O)CCCN1CCC1C 34a_100000755817_100000685027 [0,0,1,1,0,0|2,0,0]=4 7705 B11R1.161 CC1CCN1CCCC(=O)N 269982a_100000755817_100102525003 [0,0,1,1,0,0|2,0,0]=4 7706 B11R1.161 CC1CCN1CCCC(=O)N 34a_100000755817_100102525003 [0,0,1,1,0,0|2,0,0]=4 7707 B11R1.172 CC(=O)CCCC1CCCC1 1458a_100000070787_100011713738 [0,0,1,1,0,0|1,0,0]=3 7708 B11R1.172 CC(=O)CCCN1CCCC1 1458a_100000070787_100011445909 [0,0,1,1,0,0|2,0,0]=4 7709 B11R1.172 CC(=O)CCCN1CCCC1 1458a_100000743284_200000210301 [0,0,1,1,0,0|2,0,0]=4 7710 B11R1.172 CC(=O)CCCN1CCCC1 269982a_100000188435_100011215641 [0,0,1,1,0,0|2,0,0]=4 7711 B11R1.172 CC(=O)CCOC1CCCC1 34a_100000759926_100000179811 [0,0,1,1,0,0|2,0,0]=4 7712 B11R1.172 CC(=O)CCOC1CCCC1 7a_100000210269_100000053229 [0,0,1,1,0,0|2,0,0]=4 7713 B11R1.172 CC(=O)CCOC1CCCC1 7a_100000759926_100000179811 [0,0,1,1,0,0|2,0,0]=4 7714 B11R1.172 CC(=O)CCSC1CCCC1 62a_100000053229_100000179811 [0,0,1,1,0,0|2,0,0]=4 7715 B11R1.172 CC(=O)CCSC1CCCC1 62a_100011217020_100000053229 [0,0,1,1,0,0|2,0,0]=4 7716 B11R1.172 CC(=O)COCC1CCCC1 34a_100000211253_100000740388 [0,0,1,1,0,0|2,0,0]=4 7717 B11R1.172 CC(=O)NCCC1CCCC1 11a_100000739158_100015343762 [0,0,1,1,0,0|2,0,0]=4 7718 B11R1.172 CC(=O)NCCC1CCCC1 1626a_100000739158_100015343762 [0,0,1,1,0,0|2,0,0]=4 7719 B11R1.172 CC(=O)NCCC1CCCC1 240690a_100000739158_100015343762 [0,0,1,1,0,0|2,0,0]=4 7720 B11R1.172 CC(=O)NCCC1CCCC1 527a_100000739158_100103153847 [0,0,1,1,0,0|2,0,0]=4 7721 B11R1.172 NC(=O)CCCN1CCCC1 269982a_100000188435_100102525003 [0,0,1,1,0,0|2,0,0]=4 7722 B11R1.172 NC(=O)CCNC1CCCC1 2230a_100000211070_100000744528 [0,0,1,1,0,0|2,0,0]=4 7723 B11R1.172 NC(=O)CCNC1CCCC1 34a_100000211070_100000731001 [0,0,1,1,0,0|2,0,0]=4 7724 B11R1.172 NC(=O)CCOC1CCCC1 34a_100000210269_100000731001 [0,0,1,1,0,0|2,0,0]=4 7725 B11R1.172 NC(=O)CCOC1CCCC1 34a_100000757172_100000179811 [0,0,1,1,0,0|2,0,0]=4 7726 B11R1.172 NC(=O)CCOC1CCCC1 7a_100000210269_100000744528 [0,0,1,1,0,0|2,0,0]=4 7727 B11R1.172 NC(=O)CCOC1CCCC1 7a_100000757172_100000179811 [0,0,1,1,0,0|2,0,0]=4 7728 B11R1.172 NC(=O)CCSC1CCCC1 62a_100000744528_100000179811 [0,0,1,1,0,0|2,0,0]=4 7729 B11R1.172 NC(=O)CCSC1CCCC1 62a_100011217020_100000744528 [0,0,1,1,0,0|2,0,0]=4 7730 B11R1.172 NC(=O)CNCC1CCCC1 2230a_100000711301_100000740388 [0,0,1,1,0,0|2,0,0]=4 7731 B11R1.172 NC(=O)CNCC1CCCC1 2230a_100000737975_100000747473 [0,0,1,1,0,0|2,0,0]=4 7732 B11R1.172 NC(=O)CNCC1CCCC1 34a_100000737975_100000187820 [0,0,1,1,0,0|2,0,0]=4 7733 B11R1.172 NC(=O)COCC1CCCC1 34a_100000742336_100000187820 [0,0,1,1,0,0|2,0,0]=4 7734 B11R1.172 NC(=O)COCC1CCCC1 7a_100000742336_100000187820 [0,0,1,1,0,0|2,0,0]=4 7735 B11R1.172 NC(=O)CSCC1CCCC1 62a_100000740388_100000747473 [0,0,1,1,0,0|2,0,0]=4 7736 B11R1.172 NC(=O)CSCC1CCCC1 62a_100000747473_100000740388 [0,0,1,1,0,0|2,0,0]=4 7737 B11R1.172 O=C(O)CNCC1CCCC1 269956a_100016091260_100000740388 [0,0,1,1,0,0|1,0,0]=3 7738 B11R1.172 O=C(O)CNCC1CCCO1 269956a_100016091260_100000183445 [0,0,1,1,0,0|2,0,0]=4 7739 B11R1.172 O=C(O)CNCC1CCOC1 269956a_100016091260_100011261433 [0,0,1,1,0,0|2,0,0]=4 7740 B11R1.172 O=C(O)CONC1CCCC1 269956a_100000106656_100000179811 [0,0,1,1,0,0|2,0,0]=4 7741 B11R1.172 O=C([O-])CNCC1CCCC1 34a_100000737975_100020667443 [0,0,1,1,0,0|1,0,1]=4 7742 B11R1.172 O=C([O-])COCC1CCCC1 34a_100000742336_100020667443 [0,0,1,1,0,0|1,0,1]=4 7743 B11R1.172 O=C([O-])CSCC1CCCC1 62a_100000740388_100020667443 [0,0,1,1,0,0|1,0,1]=4 7744 B11R1.172 O=C([O-])CSCC1CCCC1 62a_100020667443_100000740388 [0,0,1,1,0,0|1,0,1]=4 7745 B11R1.172 [13CH3]C(=O)CCCN1CCCC1 1458a_100000743284_200025704644 [0,0,1,1,0,0|2,0,0]=4 7746 B11R1.174 CC(=O)CCCCN1CCC1 269982a_100000754969_100000735457 [0,0,1,1,0,0|2,0,0]=4 7747 B11R1.174 CC(=O)CCCNC1CCC1 34a_100000749019_100000685027 [0,0,1,1,0,0|2,0,0]=4 7748 B11R1.174 CC(=O)CCCOC1CCC1 34a_100000748187_100000685027 [0,0,1,1,0,0|2,0,0]=4 7749 B11R1.174 CC(=O)CCCOC1CCC1 34a_100000759063_100000749161 [0,0,1,1,0,0|2,0,0]=4 7750 B11R1.174 CC(=O)CCCSC1CCC1 62a_100011215641_100000749161 [0,0,1,1,0,0|2,0,0]=4 7751 B11R1.174 CC(=O)CCOCC1CCC1 34a_100000759926_100000763275 [0,0,1,1,0,0|2,0,0]=4 7752 B11R1.174 CC(=O)CCOCC1CCC1 7a_100000759926_100000763275 [0,0,1,1,0,0|2,0,0]=4 7753 B11R1.174 CC(=O)CCSCC1CCC1 62a_100000053229_100000763275 [0,0,1,1,0,0|2,0,0]=4 7754 B11R1.174 CC(=O)CCSCC1CCC1 62a_100000763275_100000053229 [0,0,1,1,0,0|2,0,0]=4 7755 B11R1.174 NC(=O)CCCNC1CCC1 34a_100000739312_100000749161 [0,0,1,1,0,0|2,0,0]=4 7756 B11R1.174 NC(=O)CCCNC1CCC1 34a_100000749019_100102525003 [0,0,1,1,0,0|2,0,0]=4 7757 B11R1.174 NC(=O)CCCOC1CCC1 34a_100000748187_100102525003 [0,0,1,1,0,0|2,0,0]=4 7758 B11R1.174 NC(=O)CCCSC1CCC1 62a_100102525003_100000749161 [0,0,1,1,0,0|2,0,0]=4 7759 B11R1.174 NC(=O)CCNCC1CCC1 2230a_100000738700_100000744528 [0,0,1,1,0,0|2,0,0]=4 7760 B11R1.174 NC(=O)CCNCC1CCC1 269862a_100000740010_100000753134 [0,0,1,1,0,0|2,0,0]=4 7761 B11R1.174 NC(=O)CCNCC1CCC1 34a_100000738700_100000731001 [0,0,1,1,0,0|2,0,0]=4 7762 B11R1.174 NC(=O)CCOCC1CCC1 34a_100000757172_100000763275 [0,0,1,1,0,0|2,0,0]=4 7763 B11R1.174 NC(=O)CCOCC1CCC1 34a_100000760304_100000731001 [0,0,1,1,0,0|2,0,0]=4 7764 B11R1.174 NC(=O)CCOCC1CCC1 7a_100000757172_100000763275 [0,0,1,1,0,0|2,0,0]=4 7765 B11R1.174 NC(=O)CCSCC1CCC1 62a_100000744528_100000763275 [0,0,1,1,0,0|2,0,0]=4 7766 B11R1.174 NC(=O)CCSCC1CCC1 62a_100000763275_100000744528 [0,0,1,1,0,0|2,0,0]=4 7767 B11R1.174 O=C(O)CONCC1CCC1 269956a_100000106656_100000763275 [0,0,1,1,0,0|2,0,0]=4 7768 B11R1.176 CC(=O)CCCCNC1CC1 34a_100000212008_100009817362 [0,0,1,1,0,0|2,0,0]=4 7769 B11R1.176 CC(=O)CCCCSC1CC1 62a_100000735457_100000211595 [0,0,1,1,0,0|2,0,0]=4 7770 B11R1.176 CC(=O)CCCNCC1CC1 34a_100000735609_100000685027 [0,0,1,1,0,0|2,0,0]=4 7771 B11R1.176 CC(=O)CCCOCC1CC1 34a_100000211283_100000685027 [0,0,1,1,0,0|2,0,0]=4 7772 B11R1.176 CC(=O)CCCOCC1CC1 34a_100000759063_100000742324 [0,0,1,1,0,0|2,0,0]=4 7773 B11R1.176 CC(=O)CCCOCC1CC1 7a_100000759063_100000742324 [0,0,1,1,0,0|2,0,0]=4 7774 B11R1.176 CC(=O)CCCSCC1CC1 62a_100000756562_100011215641 [0,0,1,1,0,0|2,0,0]=4 7775 B11R1.176 CC(=O)CCCSCC1CC1 62a_100011215641_100000742324 [0,0,1,1,0,0|2,0,0]=4 7776 B11R1.176 CC(=O)CCOCCC1CC1 34a_100000759926_100000694398 [0,0,1,1,0,0|2,0,0]=4 7777 B11R1.176 CC(=O)CCOCCC1CC1 7a_100000754188_100000053229 [0,0,1,1,0,0|2,0,0]=4 7778 B11R1.176 CC(=O)CCOCCC1CC1 7a_100000759926_100000764125 [0,0,1,1,0,0|2,0,0]=4 7779 B11R1.176 CC(=O)CCSCCC1CC1 62a_100000053229_100000764125 [0,0,1,1,0,0|2,0,0]=4 7780 B11R1.176 CC(=O)CCSCCC1CC1 62a_100000764125_100000053229 [0,0,1,1,0,0|2,0,0]=4 7781 B11R1.176 NC(=O)CCCCNC1CC1 34a_100000696515_100000211595 [0,0,1,1,0,0|2,0,0]=4 7782 B11R1.176 NC(=O)CCCCOC1CC1 34a_100012022536_100000211595 [0,0,1,1,0,0|2,0,0]=4 7783 B11R1.176 NC(=O)CCCNCC1CC1 269862a_100000739312_100000741477 [0,0,1,1,0,0|2,0,0]=4 7784 B11R1.176 NC(=O)CCCNCC1CC1 34a_100000735609_100102525003 [0,0,1,1,0,0|2,0,0]=4 7785 B11R1.176 NC(=O)CCCNCC1CC1 34a_100000739312_100000742324 [0,0,1,1,0,0|2,0,0]=4 7786 B11R1.176 NC(=O)CCCOCC1CC1 34a_100000211283_100102525003 [0,0,1,1,0,0|2,0,0]=4 7787 B11R1.176 NC(=O)CCCSCC1CC1 62a_100000756562_100102525003 [0,0,1,1,0,0|2,0,0]=4 7788 B11R1.176 NC(=O)CCCSCC1CC1 62a_100102525003_100000742324 [0,0,1,1,0,0|2,0,0]=4 7789 B11R1.176 NC(=O)CCNCCC1CC1 34a_100000764129_100000731001 [0,0,1,1,0,0|2,0,0]=4 7790 B11R1.176 NC(=O)CCOCCC1CC1 34a_100000754188_100000731001 [0,0,1,1,0,0|2,0,0]=4 7791 B11R1.176 NC(=O)CCOCCC1CC1 34a_100000757172_100000694398 [0,0,1,1,0,0|2,0,0]=4 7792 B11R1.176 NC(=O)CCOCCC1CC1 7a_100000754188_100000744528 [0,0,1,1,0,0|2,0,0]=4 7793 B11R1.176 NC(=O)CCOCCC1CC1 7a_100000757172_100000764125 [0,0,1,1,0,0|2,0,0]=4 7794 B11R1.176 NC(=O)CCSCCC1CC1 62a_100000744528_100000764125 [0,0,1,1,0,0|2,0,0]=4 7795 B11R1.176 NC(=O)CCSCCC1CC1 62a_100000764125_100000744528 [0,0,1,1,0,0|2,0,0]=4 7796 B11R1.176 O=C(O)CNCCCC1CO1 269956a_100016091260_100000733510 [0,0,1,1,0,0|2,0,0]=4 7797 B11R1.176 O=C(O)COCCNC1CC1 269956a_100000700818_100000211595 [0,0,1,1,0,0|2,0,0]=4 7798 B11R1.176 O=C(O)CONCCC1CC1 269956a_100000106656_100000694398 [0,0,1,1,0,0|2,0,0]=4 7799 B11R1.193 CCCN1CCC[C@H]1C(=O)N 2230a_100000003125_100000210303 [0,0,1,1,0,0|2,0,0]=4 7800 B11R1.193 CCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000210207 [0,0,1,1,0,0|1,0,0]=3 7801 B11R1.193 CCCN1CCSC1C(=O)O 269956a_100000035718_100000210207 [0,0,1,1,0,0|2,0,0]=4 7802 B11R1.193 CCCN1CSC[C@H]1C(=O)O 269956a_100000743924_100000210207 [0,0,1,1,0,0|2,0,0]=4 7803 B11R1.193 COCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000766300 [0,0,1,1,0,0|2,0,0]=4 7804 B11R1.193 CSCN1CCC[C@H]1C(=O)O 269956a_100000743916_100011218213 [0,0,1,1,0,0|2,0,0]=4 7805 B11R1.193 O=C(O)[C@@H]1CCCN1CCF 269956a_100000743916_100011217306 [0,0,1,1,0,0|2,0,0]=4 7806 B11R1.193 O=C(O)[C@@H]1CCCN1CCO 269956a_100000743916_100000211926 [0,0,1,1,0,0|2,0,0]=4 7807 B11R1.204 CCCCN1CCC1C(=O)O 269956a_100000021838_100000210211 [0,0,1,1,0,0|1,0,0]=3 7808 B11R1.204 CCOCN1CCC1C(=O)O 269956a_100000021838_100000739092 [0,0,1,1,0,0|2,0,0]=4 7809 B11R1.204 COCCN1CCC1C(=O)O 269956a_100000021838_100000233755 [0,0,1,1,0,0|2,0,0]=4 7810 B11R1.204 CSCCN1CCC1C(=O)O 269956a_100000021838_100000212216 [0,0,1,1,0,0|2,0,0]=4 7811 B11R1.204 O=C(O)C1CCN1CCCF 269956a_100000021838_100011934791 [0,0,1,1,0,0|2,0,0]=4 7812 B11R1.204 O=C(O)C1CCN1CCCO 269956a_100000021838_100011215043 [0,0,1,1,0,0|2,0,0]=4 7813 B11R1.706 CC(=O)N1CCCCCCC1 11a_100000211400_100015343762 [0,0,1,1,0,0|2,0,0]=4 7814 B11R1.706 CC(=O)N1CCCCCCC1 1626a_100000211400_100015343762 [0,0,1,1,0,0|2,0,0]=4 7815 B11R1.706 CC(=O)N1CCCCCCC1 240690a_100000211400_100015343762 [0,0,1,1,0,0|2,0,0]=4 7816 B11R1.706 CC(=O)N1CCCCCCC1 527a_100000211400_100103153847 [0,0,1,1,0,0|2,0,0]=4 7817 B11R1.742 CC(=O)CC1CCCCCC1 1458a_100000070787_200000696569 [0,0,1,1,0,0|1,0,0]=3 7818 B11R1.742 CC(=O)CC1CCCCCC1 1458a_100000685095_200000210301 [0,0,1,1,0,0|1,0,0]=3 7819 B11R1.742 CC(=O)CN1CCCCCC1 1458a_100000740298_200000210301 [0,0,1,1,0,0|2,0,0]=4 7820 B11R1.742 CC(=O)NC1CCCCCC1 11a_100000210984_100015343762 [0,0,1,1,0,0|2,0,0]=4 7821 B11R1.742 CC(=O)NC1CCCCCC1 1626a_100000210984_100015343762 [0,0,1,1,0,0|2,0,0]=4 7822 B11R1.742 CC(=O)NC1CCCCCC1 240690a_100000210984_100015343762 [0,0,1,1,0,0|2,0,0]=4 7823 B11R1.742 CC(=O)NC1CCCCCC1 527a_100000210984_100103153847 [0,0,1,1,0,0|2,0,0]=4 7824 B11R1.742 NC(=O)CN1CCCCCC1 2230a_100000185865_100000747473 [0,0,1,1,0,0|2,0,0]=4 7825 B11R1.742 NC(=O)CN1CCCCCC1 269982a_100000185865_100000187820 [0,0,1,1,0,0|2,0,0]=4 7826 B11R1.742 NC(=O)CN1CCCCCC1 34a_100000185865_100000187820 [0,0,1,1,0,0|2,0,0]=4 7827 B11R1.742 O=C([O-])CN1CCCCCC1 269982a_100000185865_100020667443 [0,0,1,1,0,0|1,0,1]=4 7828 B11R1.742 O=C([O-])CN1CCCCCC1 34a_100000185865_100020667443 [0,0,1,1,0,0|1,0,1]=4 7829 B11R1.742 [13CH3]C(=O)CC1CCCCCC1 1458a_100000685095_200025704644 [0,0,1,1,0,0|1,0,0]=3 7830 B11R1.742 [13CH3]C(=O)CN1CCCCCC1 1458a_100000740298_200025704644 [0,0,1,1,0,0|2,0,0]=4 7831 B11R1.98 CCCN(CC)C1CC(=O)C1 269982a_100000226822_100009894365 [0,0,1,1,0,0|2,0,0]=4 7832 B11R1.124 CCCN1CCC(C1)C(=O)N 2230a_100000752358_100000210303 [0,0,1,1,0,0|2,0,0]=4 7833 B11R1.124 CCCN1CCC(C1)C(=O)N 269982a_100000752358_100000210303 [0,0,1,1,0,0|2,0,0]=4 7834 B11R1.124 CCCN1CCC(C1)C(=O)N 34a_100000752358_100000210303 [0,0,1,1,0,0|2,0,0]=4 7835 B11R1.124 CCN[C@H]1CC[C@H](C1)C(=O)O 269956a_100015195206_100000210202 [0,0,1,1,0,0|1,0,0]=3 7836 B11R1.124 O=C(O)[C@@H]1CC[C@@H](C1)NCF 269956a_100015195206_100015361967 [0,0,1,1,0,0|2,0,0]=4 7837 B11R1.135 CCCN1CCNC(=O)CC1 2230a_100000698595_100000210303 [0,0,1,1,0,0|2,0,0]=4 7838 B11R1.135 CCCN1CCNC(=O)CC1 269982a_100000698595_100000210303 [0,0,1,1,0,0|2,0,0]=4 7839 B11R1.266 CCN1CCCC(C1)C(=O)C 1458a_100000743261_200000210301 [0,0,1,1,0,0|2,0,0]=4 7840 B11R1.266 CCN1CCCC(C1)C(=O)N 2230a_100000195536_100000210202 [0,0,1,1,0,0|2,0,0]=4 7841 B11R1.266 CCN1CCCC(C1)C(=O)N 269982a_100000195536_100000204670 [0,0,1,1,0,0|2,0,0]=4 7842 B11R1.266 CCN1CCCC(C1)C(=O)N 34a_100000195536_100000210202 [0,0,1,1,0,0|2,0,0]=4 7843 B11R1.266 CCN1CCCC(C1)C(=O)[13CH3] 1458a_100000743261_200025704644 [0,0,1,1,0,0|2,0,0]=4 7844 B11R1.266 CNC1CCCC(C1)C(=O)N 2230a_100000749473_200000210301 [0,0,1,1,0,0|2,0,0]=4 7845 B11R1.266 CNC1CCCC(C1)C(=O)N 34a_100000749473_200000210301 [0,0,1,1,0,0|2,0,0]=4 7846 B11R1.266 CNC1CCCC(C1)C(=O)O 269956a_100011216634_200000210301 [0,0,1,1,0,0|1,0,0]=3 7847 B11R1.266 COC1CCCC(C1)C(=O)C 1458a_100011215561_200000210301 [0,0,1,1,0,0|2,0,0]=4 7848 B11R1.266 COC1CCCC(C1)C(=O)[13CH3] 1458a_100011215561_200025704644 [0,0,1,1,0,0|2,0,0]=4 7849 B11R1.266 [13CH3]NC1CCCC(C1)C(=O)N 2230a_100000749473_200025704644 [0,0,1,1,0,0|2,0,0]=4 7850 B11R1.266 [13CH3]NC1CCCC(C1)C(=O)N 34a_100000749473_200025704644 [0,0,1,1,0,0|2,0,0]=4 7851 B11R1.266 [13CH3]NC1CCCC(C1)C(=O)O 269956a_100011216634_200025704644 [0,0,1,1,0,0|1,0,0]=3 7852 B11R1.400 CCC1(CCC1)CNC(=O)C 11a_100000685557_100015343762 [0,0,1,1,0,0|2,0,0]=4 7853 B11R1.400 CCC1(CCC1)CNC(=O)C 1626a_100000685557_100015343762 [0,0,1,1,0,0|2,0,0]=4 7854 B11R1.400 CCC1(CCC1)CNC(=O)C 240690a_100000685557_100015343762 [0,0,1,1,0,0|2,0,0]=4 7855 B11R1.400 CCC1(CCC1)CNC(=O)C 527a_100000685557_100103153847 [0,0,1,1,0,0|2,0,0]=4 7856 B11R1.792 CCCC1(CC1)NCC(=O)N 2230a_100015185929_100000747473 [0,0,1,1,0,0|2,0,0]=4 7857 B11R1.811 CCC(NCC(=O)N)C1CC1 2230a_100025715781_100000747473 [0,0,1,1,0,0|2,0,0]=4 7858 B11R1.811 CCC(NCC(=O)N)C1CC1 34a_100025715781_100000187820 [0,0,1,1,0,0|2,0,0]=4 7859 B11R1.811 CCC(NCC(=O)[O-])C1CC1 34a_100025715781_100020667443 [0,0,1,1,0,0|1,0,1]=4 7860 B11R1.811 CCC(OCC(=O)N)C1CC1 34a_100011351122_100000187820 [0,0,1,1,0,0|2,0,0]=4 7861 B11R1.811 CCC(OCC(=O)N)C1CC1 7a_100011351122_100000187820 [0,0,1,1,0,0|2,0,0]=4 7862 B11R1.811 CCC(OCC(=O)[O-])C1CC1 34a_100011351122_100020667443 [0,0,1,1,0,0|1,0,1]=4 7863 B11R1.811 CCN(CCC(=O)C)C1CC1 269982a_100000738653_100000053229 [0,0,1,1,0,0|2,0,0]=4 7864 B11R1.811 CCN(CCC(=O)N)C1CC1 2230a_100000738653_100000744528 [0,0,1,1,0,0|2,0,0]=4 7865 B11R1.811 CCN(CCC(=O)N)C1CC1 269982a_100000738653_100000744528 [0,0,1,1,0,0|2,0,0]=4 7866 B11R1.49 CCN1C[C@H](C[C@H]1C(=O)O)F 269956a_100016993324_100000210202 [0,0,1,1,0,0|2,0,0]=4 7867 B11R1.49 CCN1C[C@H](C[C@H]1C(=O)O)O 269956a_100000750407_100000210202 [0,0,1,1,0,0|2,0,0]=4 7868 B11R1.167 CN1CCN(C(C1)C(=O)O)C 269956a_100020626280_200000210301 [0,0,1,1,0,0|2,0,0]=4 7869 B11R1.167 CN1CCN(C(C1)C(=O)O)[13CH3] 269956a_100020626280_200025704644 [0,0,1,1,0,0|2,0,0]=4 7870 B11R1.167 C[C@@H]1CCN([C@H](C1)C(=O)O)C 269956a_100009817619_200000210301 [0,0,1,1,0,0|1,0,0]=3 7871 B11R1.167 C[C@@H]1CCN([C@H](C1)C(=O)O)[13CH3] 269956a_100009817619_200025704644 [0,0,1,1,0,0|1,0,0]=3 7872 B11R1.211 CCCCN1CC(C1)C(=O)N 34a_100025753142_100000210210 [0,0,1,1,0,0|2,0,0]=4 7873 B11R1.211 CCCN[C@H]1C[C@H](C1)C(=O)O 269956a_100000738708_100000210207 [0,0,1,1,0,0|1,0,0]=3 7874 B11R1.211 COCN[C@H]1C[C@H](C1)C(=O)O 269956a_100000738708_100000766300 [0,0,1,1,0,0|2,0,0]=4 7875 B11R1.211 CSCN[C@H]1C[C@H](C1)C(=O)O 269956a_100000738708_100011218213 [0,0,1,1,0,0|2,0,0]=4 7876 B11R1.211 O=C(O)[C@H]1C[C@H](C1)NCCF 269956a_100000738708_100011217306 [0,0,1,1,0,0|2,0,0]=4 7877 B11R1.211 O=C(O)[C@H]1C[C@H](C1)NCCO 269956a_100000738708_100000211926 [0,0,1,1,0,0|2,0,0]=4 7878 B11R1.262 CCC1CN(C1)CCC(=O)C 269982a_100015205115_100000053229 [0,0,1,1,0,0|2,0,0]=4 7879 B11R1.262 CCC1CN(C1)CCC(=O)N 2230a_100015205115_100000744528 [0,0,1,1,0,0|2,0,0]=4 7880 B11R1.262 CCC1CN(C1)CCC(=O)N 269982a_100015205115_100000744528 [0,0,1,1,0,0|2,0,0]=4 7881 B11R1.262 O=C(O)CNC1CC(C1)CO 269956a_100016091260_100009874164 [0,0,1,1,0,0|2,0,0]=4 7882 B11R1.287 CCCCN(C)C1CC(=O)C1 269982a_100000207549_100009894365 [0,0,1,1,0,0|2,0,0]=4 7883 B11R1.346 CC(=O)CCN(C)C1CCC1 269982a_100000758072_100000053229 [0,0,1,1,0,0|2,0,0]=4 7884 B11R1.346 CC(NCC(=O)N)C1CCC1 2230a_100016994624_100000747473 [0,0,1,1,0,0|2,0,0]=4 7885 B11R1.346 CC(NCC(=O)N)C1CCC1 34a_100016994624_100000187820 [0,0,1,1,0,0|2,0,0]=4 7886 B11R1.346 CC(NCC(=O)[O-])C1CCC1 34a_100016994624_100020667443 [0,0,1,1,0,0|1,0,1]=4 7887 B11R1.346 CC(OCC(=O)N)C1CCC1 34a_100000766398_100000187820 [0,0,1,1,0,0|2,0,0]=4 7888 B11R1.346 CC(OCC(=O)N)C1CCC1 7a_100000766398_100000187820 [0,0,1,1,0,0|2,0,0]=4 7889 B11R1.346 CC(OCC(=O)[O-])C1CCC1 34a_100000766398_100020667443 [0,0,1,1,0,0|1,0,1]=4 7890 B11R1.346 CN(CCC(=O)N)C1CCC1 2230a_100000758072_100000744528 [0,0,1,1,0,0|2,0,0]=4 7891 B11R1.346 CN(CCC(=O)N)C1CCC1 269982a_100000758072_100000744528 [0,0,1,1,0,0|2,0,0]=4 7892 B11R1.346 CN(CCC(=O)N)C1CCC1 270004a_100000730477_100000241760 [0,0,1,1,0,0|2,0,0]=4 7893 B11R1.346 CN(CCC(=O)N)C1CCC1 34a_100000758072_100000731001 [0,0,1,1,0,0|2,0,0]=4 7894 B11R1.348 CC(=O)CCN(C)CC1CC1 269982a_100000741881_100000053229 [0,0,1,1,0,0|2,0,0]=4 7895 B11R1.348 CN(CCC(=O)N)CC1CC1 2230a_100000730477_100000742324 [0,0,1,1,0,0|2,0,0]=4 7896 B11R1.348 CN(CCC(=O)N)CC1CC1 2230a_100000741881_100000744528 [0,0,1,1,0,0|2,0,0]=4 7897 B11R1.348 CN(CCC(=O)N)CC1CC1 269982a_100000741881_100000744528 [0,0,1,1,0,0|2,0,0]=4 7898 B11R1.495 CC1CCC(N1CC(=O)N)C 2230a_100000687148_100000747473 [0,0,1,1,0,0|2,0,0]=4 7899 B11R1.495 CC1CCC(N1CC(=O)N)C 269982a_100000687148_100000187820 [0,0,1,1,0,0|2,0,0]=4 7900 B11R1.495 CC1CCC(N1CC(=O)N)C 34a_100000687148_100000187820 [0,0,1,1,0,0|2,0,0]=4 7901 B11R1.495 CC1CCC(N1CC(=O)[O-])C 269982a_100000687148_100020667443 [0,0,1,1,0,0|1,0,1]=4 7902 B11R1.495 CC1CCC(N1CC(=O)[O-])C 34a_100000687148_100020667443 [0,0,1,1,0,0|1,0,1]=4 7903 B11R2.76 C=CCN1C2CCC1CC2 2230a_100000735658_100000210623 [1,0,0,1,0,0|2,0,0]=4 7904 B11R2.76 C=CCN1C2CCC1CC2 269982a_100000735658_100000210623 [1,0,0,1,0,0|2,0,0]=4 7905 B11R2.76 C=CCN1C2CCC1CC2 34a_100000735658_100015514636 [1,0,0,1,0,0|2,0,0]=4 7906 B11R2.76 O=CCN1C2CCC1CC2 2230a_100000735658_200015260668 [1,0,0,1,0,0|1,0,0]=3 7907 B11R2.76 O=CCN1C2CCC1CC2 269982a_100000735658_200015260668 [1,0,0,1,0,0|1,0,0]=3 7908 B11R2.76 O=CCN1C2CCC1CC2 34a_100000735658_200009817547 [1,0,0,1,0,0|1,0,0]=3 7909 B11R2.76 OCCN1C2CCC1CC2 2230a_100000735658_100000211926 [1,0,0,1,0,0|1,0,1]=4 7910 B11R2.76 OCCN1C2CCC1CC2 269982a_100000735658_100000211926 [1,0,0,1,0,0|1,0,1]=4 7911 B11R2.76 OCCN1C2CCC1CC2 34a_100000735658_100000211926 [1,0,0,1,0,0|1,0,1]=4 7912 B11R2.157 C=CCCN1CC2CC2C1 2230a_100000741873_100000754431 [1,0,0,1,0,0|2,0,0]=4 7913 B11R2.157 C=CCCN1CC2CC2C1 269982a_100000741873_100000754431 [1,0,0,1,0,0|2,0,0]=4 7914 B11R2.157 C=CCCN1CC2CC2C1 34a_100000741873_100000754431 [1,0,0,1,0,0|2,0,0]=4 7915 B11R2.157 C=CCNC1CC2CC2C1 270004a_100020586998_100010340937 [1,0,0,1,0,0|2,0,0]=4 7916 B11R2.157 OCCCN1CC2CC2C1 2230a_100000741873_100000230001 [1,0,0,1,0,0|1,0,1]=4 7917 B11R2.157 OCCCN1CC2CC2C1 269982a_100000741873_100011215043 [1,0,0,1,0,0|1,0,1]=4 7918 B11R2.157 OCCCN1CC2CC2C1 34a_100000741873_100000230001 [1,0,0,1,0,0|1,0,1]=4 7919 B11R2.157 OCCNC1CC2CC2C1 270004a_100000210304_100010340937 [1,0,0,1,0,0|1,0,1]=4 7920 B11R2.258 O=CCNC1C2C1COC2 2230a_100000702821_200015260668 [1,0,0,1,0,0|2,0,0]=4 7921 B11R2.258 O=CCNC1C2C1COC2 34a_100000702821_200009817547 [1,0,0,1,0,0|2,0,0]=4 7922 B11R2.927 C=CCNC1CCC2C1C2 270004a_100020586998_100000692480 [1,0,0,1,0,0|2,0,0]=4 7923 B11R2.927 C=CCOC1CCC2C1C2 34a_200012295571_100015514636 [1,0,0,1,0,0|2,0,0]=4 7924 B11R2.927 O=CCOC1CCC2C1C2 34a_200012295571_200009817547 [1,0,0,1,0,0|1,0,0]=3 7925 B11R2.927 OCCNC1CCC2C1C2 269862a_100000210304_100000692480 [1,0,0,1,0,0|1,0,1]=4 7926 B11R2.927 OCCNC1CCC2C1C2 270004a_100000210304_100000692480 [1,0,0,1,0,0|1,0,1]=4 7927 B11R2.927 OCCOC1CCC2C1C2 34a_200012295571_100000211926 [1,0,0,1,0,0|1,0,1]=4 7928 B11R2.824 CC(=O)N1C2CCC1CC2 11a_100000735658_100015343762 [0,0,0,1,1,0|2,0,0]=4 7929 B11R2.824 CC(=O)N1C2CCC1CC2 1626a_100000735658_100015343762 [0,0,0,1,1,0|2,0,0]=4 7930 B11R2.824 CC(=O)N1C2CCC1CC2 240690a_100000735658_100015343762 [0,0,0,1,1,0|2,0,0]=4 7931 B11R2.824 CC(=O)N1C2CCC1CC2 527a_100000735658_100103153847 [0,0,0,1,1,0|2,0,0]=4 7932 B11R2.934 NC(=O)CN1CC2CC2C1 2230a_100000741873_100000747473 [0,0,0,1,1,0|2,0,0]=4 7933 B11R2.934 NC(=O)CN1CC2CC2C1 269982a_100000741873_100000187820 [0,0,0,1,1,0|2,0,0]=4 7934 B11R2.934 NC(=O)CN1CC2CC2C1 34a_100000741873_100000187820 [0,0,0,1,1,0|2,0,0]=4 7935 B11R2.934 O=C([O-])CN1CC2CC2C1 269982a_100000741873_100020667443 [0,0,0,1,1,0|1,0,1]=4 7936 B11R2.934 O=C([O-])CN1CC2CC2C1 34a_100000741873_100020667443 [0,0,0,1,1,0|1,0,1]=4 7937 B11R2.1852 CC(=O)[C@H]1[C@H]2[C@@H]1CCCC2 1458a_100153394716_200000210301 [0,0,0,1,1,0|1,0,0]=3 7938 B11R2.1852 [13CH3]C(=O)[C@H]1[C@H]2[C@@H]1CCCC2 1458a_100153394716_200025704644 [0,0,0,1,1,0|1,0,0]=3 7939 B11R2.11 O=C1CC(C1)N2CCCC2 269982a_100000188435_100009894365 [0,0,0,1,1,0|2,0,0]=4 7940 B11R2.845 CC(=O)C1CC2CCC1C2 1458a_100000070787_100000727232 [0,0,0,1,1,0|1,0,0]=3 7941 B11R2.845 CC(=O)C1CC2CCC1C2 1458a_100000181847_200000210301 [0,0,0,1,1,0|1,0,0]=3 7942 B11R2.845 CC(=O)N1CC2CCC1C2 11a_100000743476_100015343762 [0,0,0,1,1,0|2,0,0]=4 7943 B11R2.845 CC(=O)N1CC2CCC1C2 1626a_100000743476_100015343762 [0,0,0,1,1,0|2,0,0]=4 7944 B11R2.845 CC(=O)N1CC2CCC1C2 240690a_100000743476_100015343762 [0,0,0,1,1,0|2,0,0]=4 7945 B11R2.845 CC(=O)N1CC2CCC1C2 527a_100000743476_100103153847 [0,0,0,1,1,0|2,0,0]=4 7946 B11R2.845 [13CH3]C(=O)C1CC2CCC1C2 1458a_100000181847_200025704644 [0,0,0,1,1,0|1,0,0]=3 7947 B13R2.10 O=C1OCC(O1)N2CCCOC2 34a_100000131196_100000032252 [0,0,0,1,0,1|2,0,0]=4 7948 B13R2.10 O=C1OCC(O1)N2CCOCC2 34a_100015191051_100000032252 [0,0,0,1,0,1|2,0,0]=4 7949 B13R2.10 OC1CCN(C1)C2CCCCC2 269982a_100011215560_100000210327 [0,0,0,1,0,1|1,0,1]=4 7950 B13R2.10 OC1CCN(C1)C2CCCCC2 270004a_100011215560_100000210434 [0,0,0,1,0,1|1,0,1]=4 7951 B13R2.31 C=C1CC(C1)NC2CCCCC2 270004a_100132301982_100000210434 [0,0,0,1,0,1|2,0,0]=4 7952 B13R2.31 O=C1CC(C1)SC2CCCCC2 62a_100009894365_100000210327 [0,0,0,1,0,1|1,0,0]=3 7953 B13R2.31 O=C1CC(C1)SC2CCCOC2 62a_100009894365_100000693364 [0,0,0,1,0,1|2,0,0]=4 7954 B13R2.31 O=C1CC(C1)SC2CCOCC2 62a_100009894365_100011324220 [0,0,0,1,0,1|2,0,0]=4 7955 B13R2.31 O=C1CC(C1)SC2CCSCC2 62a_100009894365_100000069128 [0,0,0,1,0,1|2,0,0]=4 7956 B13R2.31 OC1CN(C1)CC2CCCCC2 269982a_100000749847_100000211423 [0,0,0,1,0,1|1,0,1]=4 7957 B13R2.31 O[C@H]1C[C@@H](C1)NC2CCCCC2 270004a_100020629032_100000210434 [0,0,0,1,0,1|1,0,1]=4 7958 B13R2.1264 C=C(C)CCN1C2CCC1CC2 2230a_100000735658_100000730704 [0,0,0,1,0,1|2,0,0]=4 7959 B13R2.1264 C=C(C)CCN1C2CCC1CC2 269982a_100000735658_100000730704 [0,0,0,1,0,1|2,0,0]=4 7960 B13R2.1264 C=C(C)CCN1C2CCC1CC2 34a_100000735658_100000730704 [0,0,0,1,0,1|2,0,0]=4 7961 B13R2.1264 C=C(C)COC1C2CCC1CC2 34a_100000210245_100009813300 [0,0,0,1,0,1|2,0,0]=4 7962 B13R2.1264 C=C(C)CSC1C2CCC1CC2 62a_100000748629_100009813300 [0,0,0,1,0,1|2,0,0]=4 7963 B13R2.1264 C=C(C)CSC1C2CCC1CC2 62a_100009813300_100000211660 [0,0,0,1,0,1|2,0,0]=4 7964 B13R2.1264 C=C(F)COC1C2CCC1CC2 34a_200010262243_100009813300 [0,0,0,1,0,1|2,0,0]=4 7965 B13R2.1264 C=C(F)CSC1C2CCC1CC2 62a_100000042424_100009813300 [0,0,0,1,0,1|2,0,0]=4 7966 B13R2.1264 C=C(F)CSC1C2CCC1CC2 62a_100009813300_100000042424 [0,0,0,1,0,1|2,0,0]=4 7967 B13R2.1264 CC(=O)CCN1C2CCC1CC2 269982a_100000735658_100000053229 [0,0,0,1,0,1|1,0,0]=3 7968 B13R2.1264 CC(=O)COC1C2CCC1CC2 34a_100000211253_100009813300 [0,0,0,1,0,1|1,0,0]=3 7969 B13R2.1264 CC(=O)OCN1C2CCC1CC2 269982a_100000735658_100000076356 [0,0,0,1,0,1|2,0,0]=4 7970 B13R2.1264 CC(=O)OCN1C2CCC1CC2 34a_100000735658_100009813279 [0,0,0,1,0,1|2,0,0]=4 7971 B13R2.1264 CC(O)CCN1C2CCC1CC2 2230a_100000735658_100012276601 [0,0,0,1,0,1|1,0,1]=4 7972 B13R2.1264 CC(O)CCN1C2CCC1CC2 269982a_100000735658_100012276601 [0,0,0,1,0,1|1,0,1]=4 7973 B13R2.1264 CC(O)CCN1C2CCC1CC2 34a_100000735658_100012276601 [0,0,0,1,0,1|1,0,1]=4 7974 B13R2.1264 CC(O)CNC1C2CCC1CC2 34a_100000210904_100009813300 [0,0,0,1,0,1|1,0,1]=4 7975 B13R2.1264 CC(O)CSC1C2CCC1CC2 62a_100009813300_100011218427 [0,0,0,1,0,1|1,0,1]=4 7976 B13R2.1264 CC(O)CSC1C2CCC1CC2 62a_100011218427_100009813300 [0,0,0,1,0,1|1,0,1]=4 7977 B13R2.1264 C[C@@H](O)CSC1C2CCC1CC2 62a_100009813300_100009817552 [0,0,0,1,0,1|1,0,1]=4 7978 B13R2.1264 C[C@@H](O)CSC1C2CCC1CC2 62a_100009817552_100009813300 [0,0,0,1,0,1|1,0,1]=4 7979 B13R2.1264 NC(=O)CCN1C2CCC1CC2 2230a_100000735658_100000744528 [0,0,0,1,0,1|1,0,0]=3 7980 B13R2.1264 NC(=O)CCN1C2CCC1CC2 269982a_100000735658_100000744528 [0,0,0,1,0,1|1,0,0]=3 7981 B13R2.1264 NC(=O)CCN1C2CCC1CC2 34a_100000735658_100000731001 [0,0,0,1,0,1|1,0,0]=3 7982 B13R2.1264 NC(=O)CSC1C2CCC1CC2 62a_100000747473_100009813300 [0,0,0,1,0,1|1,0,0]=3 7983 B13R2.1264 NC(=O)CSC1C2CCC1CC2 62a_100009813300_100000747473 [0,0,0,1,0,1|1,0,0]=3 7984 B13R2.1264 O=C(O)CNC1C2CCC1CC2 269956a_100016091260_100009813300 [0,0,0,1,0,1|0,0,0]=2 7985 B13R2.1264 O=C([O-])CSC1C2CCC1CC2 62a_100009813300_100020667443 [0,0,0,1,0,1|0,0,1]=3 7986 B13R2.1264 O=C([O-])CSC1C2CCC1CC2 62a_100020667443_100009813300 [0,0,0,1,0,1|0,0,1]=3 7987 B13R2.1264 O=[N+]([O-])CSC1C2CCC1CC2 62a_100009813300_100000761209 [0,0,0,1,0,1|1,0,1]=4 7988 B13R2.1274 NC(=O)CCNC1C2C1COC2 2230a_100000702821_100000744528 [0,0,0,1,0,1|2,0,0]=4 7989 B13R2.1274 NC(=O)CCNC1C2C1COC2 34a_100000702821_100000731001 [0,0,0,1,0,1|2,0,0]=4 7990 B13R2.1274 NC(=O)COCC1C2C1CNC2 34a_100000045132_100000187820 [0,0,0,1,0,1|2,0,0]=4 7991 B13R2.1274 O=C([O-])COCC1C2C1CNC2 34a_100000045132_100020667443 [0,0,0,1,0,1|1,0,1]=4 7992 B13R2.1287 C=C(C)CN1CC2CCC1CC2 2230a_100000750499_100000748629 [0,0,0,1,0,1|2,0,0]=4 7993 B13R2.1287 C=C(C)CN1CC2CCC1CC2 269982a_100000750499_100000748629 [0,0,0,1,0,1|2,0,0]=4 7994 B13R2.1287 C=C(C)CN1CC2CCC1CC2 34a_100000750499_100000748629 [0,0,0,1,0,1|2,0,0]=4 7995 B13R2.1287 C=C(F)CN1CC2CCC1CC2 2230a_100000750499_100009893438 [0,0,0,1,0,1|2,0,0]=4 7996 B13R2.1287 C=C(F)CN1CC2CCC1CC2 269982a_100000750499_100009893438 [0,0,0,1,0,1|2,0,0]=4 7997 B13R2.1287 C=C(F)CN1CC2CCC1CC2 34a_100000750499_100009893438 [0,0,0,1,0,1|2,0,0]=4 7998 B13R2.1287 CC(=O)N[C@H]1CN2CCC1CC2 240690a_100016987387_100015343762 [0,0,0,1,0,1|2,0,0]=4 7999 B13R2.1287 CC(O)CN1CC2CCC1CC2 2230a_100000750499_100011218427 [0,0,0,1,0,1|1,0,1]=4 8000 B13R2.1287 CC(O)CN1CC2CCC1CC2 269982a_100000750499_100011218427 [0,0,0,1,0,1|1,0,1]=4 8001 B13R2.1287 CC(O)CN1CC2CCC1CC2 34a_100000750499_100011218427 [0,0,0,1,0,1|1,0,1]=4 8002 B13R2.1287 C[C@@H](O)CN1CC2CCC1CC2 2230a_100000750499_100009817552 [0,0,0,1,0,1|1,0,1]=4 8003 B13R2.1287 C[C@@H](O)CN1CC2CCC1CC2 269982a_100000750499_100009817552 [0,0,0,1,0,1|1,0,1]=4 8004 B13R2.1287 C[C@@H](O)CN1CC2CCC1CC2 34a_100000750499_100009817552 [0,0,0,1,0,1|1,0,1]=4 8005 B13R2.1287 NC(=O)CN1CC2CCC1CC2 2230a_100000750499_100000747473 [0,0,0,1,0,1|1,0,0]=3 8006 B13R2.1287 NC(=O)CN1CC2CCC1CC2 269982a_100000750499_100000187820 [0,0,0,1,0,1|1,0,0]=3 8007 B13R2.1287 NC(=O)CN1CC2CCC1CC2 34a_100000750499_100000187820 [0,0,0,1,0,1|1,0,0]=3 8008 B13R2.1287 O=C([O-])CN1CC2CCC1CC2 269982a_100000750499_100020667443 [0,0,0,1,0,1|0,0,1]=3 8009 B13R2.1287 O=C([O-])CN1CC2CCC1CC2 34a_100000750499_100020667443 [0,0,0,1,0,1|0,0,1]=3 8010 B13R2.1287 O=[N+]([O-])CN1CC2CCC1CC2 269982a_100000750499_100000761209 [0,0,0,1,0,1|1,0,1]=4 8011 B13R2.1287 O=[N+]([O-])CN1CC2CCC1CC2 34a_100000750499_100000761209 [0,0,0,1,0,1|1,0,1]=4 8012 B13R2.2382 C1CCC(CC1)CNCC2CO2 2230a_100000210473_100011216344 [0,0,0,1,0,1|1,0,1]=4 8013 B13R2.2382 C1CCC(CC1)CNCC2CO2 34a_100000210473_102125554688 [0,0,0,1,0,1|1,0,1]=4 8014 B13R2.2382 C1CCC(CC1)COCC2CO2 34a_100000212181_102125554688 [0,0,0,1,0,1|1,0,1]=4 8015 B13R2.2382 C1CCC(CC1)COCC2CO2 7a_100000212181_102125554688 [0,0,0,1,0,1|1,0,1]=4 8016 B13R2.2382 C1CCC(CC1)COC[C@@H]2CO2 34a_100000757423_100000211423 [0,0,0,1,0,1|1,0,1]=4 8017 B13R2.2382 C1CCC(CC1)COC[C@@H]2CO2 7a_100000212181_100000745022 [0,0,0,1,0,1|1,0,1]=4 8018 B13R2.2382 C1CCC(CC1)CSCC2CO2 62a_100000211423_102125554688 [0,0,0,1,0,1|1,0,1]=4 8019 B13R2.2382 C1CCC(CC1)CSCC2CO2 62a_102125554688_100000211423 [0,0,0,1,0,1|1,0,1]=4 8020 B13R2.2382 C1CCC(CC1)CSC[C@@H]2CO2 62a_100000211423_100000745022 [0,0,0,1,0,1|1,0,1]=4 8021 B13R2.2382 C1CCC(CC1)CSC[C@@H]2CO2 62a_100000745022_100000211423 [0,0,0,1,0,1|1,0,1]=4 8022 B13R2.2382 C1CCC(CC1)NCCC2CO2 2230a_100000182618_100000732470 [0,0,0,1,0,1|1,0,1]=4 8023 B13R2.2382 C1CCC(CC1)NCCC2CO2 34a_100000182618_100000732470 [0,0,0,1,0,1|1,0,1]=4 8024 B13R2.2382 C1CCC(CC1)OCCC2CO2 34a_100000210231_100000732470 [0,0,0,1,0,1|1,0,1]=4 8025 B13R2.2382 C1CCC(CC1)OCCC2CO2 7a_100000210231_100000732470 [0,0,0,1,0,1|1,0,1]=4 8026 B13R2.2382 C1CCC(CC1)OCC[C@@H]2CO2 34a_100009820653_100000210327 [0,0,0,1,0,1|1,0,1]=4 8027 B13R2.2382 C1CCC(CC1)SCCC2CO2 62a_100000210327_100000732470 [0,0,0,1,0,1|1,0,1]=4 8028 B13R2.2382 C1CCC(CC1)SCCC2CO2 62a_100000732470_100000210327 [0,0,0,1,0,1|1,0,1]=4 8029 B13R2.5559 CC(=O)N1CCN2CCC1CC2 240690a_100000027273_100015343762 [0,0,0,1,0,1|2,0,0]=4 8030 B13R2.5559 CC(=O)N1CCN2CCC1CC2 527a_100000027273_100103153847 [0,0,0,1,0,1|2,0,0]=4 8031 B13R2.5565 CC(=O)CCCN1CC2CC2C1 269982a_100000741873_100011215641 [0,0,0,1,0,1|2,0,0]=4 8032 B13R2.5565 CC(=O)CCCN1CC2CC2C1 34a_100000741873_100000685027 [0,0,0,1,0,1|2,0,0]=4 8033 B13R2.5565 CC(=O)NCCN1CC2CC2C1 2230a_100000741873_100000189650 [0,0,0,1,0,1|2,0,0]=4 8034 B13R2.5565 CC(=O)NCCN1CC2CC2C1 269982a_100000741873_100000189650 [0,0,0,1,0,1|2,0,0]=4 8035 B13R2.5565 CC(=O)OCCN1CC2CC2C1 269982a_100000741873_100009814007 [0,0,0,1,0,1|2,0,0]=4 8036 B13R2.5565 CC(=O)OCCN1CC2CC2C1 34a_100000741873_100009814007 [0,0,0,1,0,1|2,0,0]=4 8037 B13R2.5565 CC(O)CCNC1CC2CC2C1 270004a_200000755665_100010340937 [0,0,0,1,0,1|1,0,1]=4 8038 B13R2.5565 NC(=O)CCCN1CC2CC2C1 269982a_100000741873_100102525003 [0,0,0,1,0,1|2,0,0]=4 8039 B13R2.5565 NC(=O)CCCN1CC2CC2C1 34a_100000741873_100102525003 [0,0,0,1,0,1|2,0,0]=4 8040 B13R2.5565 NC(=O)NCCN1CC2CC2C1 2230a_100000741873_200000034859 [0,0,0,1,0,1|2,0,0]=4 8041 B13R2.5565 NC(=O)NCCN1CC2CC2C1 269982a_100000741873_200000034859 [0,0,0,1,0,1|2,0,0]=4 8042 B13R2.5565 NC(=O)OCCN1CC2CC2C1 269982a_100000741873_200011214921 [0,0,0,1,0,1|2,0,0]=4 8043 B13R2.5565 NC(=O)OCCN1CC2CC2C1 34a_100000741873_200011214921 [0,0,0,1,0,1|2,0,0]=4 8044 B13R2.13806 C=C(C)CCOC1CCC2C1C2 34a_200012295571_100000730704 [0,0,0,1,0,1|2,0,0]=4 8045 B13R2.13806 CC(=O)OCOC1CCC2C1C2 34a_200012295571_100009813279 [0,0,0,1,0,1|2,0,0]=4 8046 B13R2.13806 CC(O)CCNC1CCC2C1C2 269862a_200000755665_100000692480 [0,0,0,1,0,1|1,0,1]=4 8047 B13R2.13806 CC(O)CCNC1CCC2C1C2 270004a_200000755665_100000692480 [0,0,0,1,0,1|1,0,1]=4 8048 B13R2.13806 CC(O)CCOC1CCC2C1C2 34a_200012295571_100012276601 [0,0,0,1,0,1|1,0,1]=4 8049 B13R2.13806 NC(=O)CCNC1CCC2C1C2 269862a_100000740010_100000692480 [0,0,0,1,0,1|1,0,0]=3 8050 B13R2.13806 NC(=O)CCOC1CCC2C1C2 34a_200012295571_100000731001 [0,0,0,1,0,1|1,0,0]=3 8051 B13R2.689 NC(=O)CN1C2CCC1COC2 2230a_100015205251_100000747473 [0,0,0,1,0,1|2,0,0]=4 8052 B13R2.689 NC(=O)CN1C2CCC1COC2 269982a_100015205251_100000187820 [0,0,0,1,0,1|2,0,0]=4 8053 B13R2.689 NC(=O)CN1C2CCC1COC2 34a_100015205251_100000187820 [0,0,0,1,0,1|2,0,0]=4 8054 B13R2.689 O=C([O-])CN1C2CCC1COC2 269982a_100015205251_100020667443 [0,0,0,1,0,1|1,0,1]=4 8055 B13R2.689 O=C([O-])CN1C2CCC1COC2 34a_100015205251_100020667443 [0,0,0,1,0,1|1,0,1]=4 8056 B13R2.5283 O=C1CC(C1)N2CCCCCC2 269982a_100000185865_100009894365 [0,0,0,1,0,1|2,0,0]=4 8057 B13R2.5283 O=C1CC(C1)N2CCCOCC2 269982a_100000685342_100009894365 [0,0,0,1,0,1|2,0,0]=4 8058 B13R2.147 CC1CCN(CC1)C2CC(=O)C2 269982a_100000188429_100009894365 [0,1,0,1,0,0|2,0,0]=4 8059 B13R2.147 O=C1CC(C1)N2CCC(CC2)F 269982a_100015193889_100009894365 [0,1,0,1,0,0|2,0,0]=4 8060 B13R2.147 O=C1CC(C1)N2CCC(CC2)O 269982a_100025773856_100009894365 [0,1,0,1,0,0|2,0,0]=4 8061 B13R2.5120 CN1CCC2(CCC(=O)N2)CC1 2230a_100016994586_200000210301 [0,1,0,1,0,0|2,0,0]=4 8062 B13R2.5120 CN1CCC2(CCC(=O)N2)CC1 269982a_100016994586_200000210301 [0,1,0,1,0,0|2,0,0]=4 8063 B13R2.5120 CN1CCC2(CCC(=O)N2)CC1 34a_100016994586_200000210301 [0,1,0,1,0,0|2,0,0]=4 8064 B13R2.5120 CN1CCC2(CCC(=O)O2)CC1 2230a_100015191184_200000210301 [0,1,0,1,0,0|1,0,0]=3 8065 B13R2.5120 CN1CCC2(CCC(=O)O2)CC1 269982a_100015191184_200000210301 [0,1,0,1,0,0|1,0,0]=3 8066 B13R2.5120 CN1CCC2(CCC(=O)O2)CC1 34a_100015191184_200000210301 [0,1,0,1,0,0|1,0,0]=3 8067 B13R2.5120 [13CH3]N1CCC2(CCC(=O)N2)CC1 2230a_100016994586_200025704644 [0,1,0,1,0,0|2,0,0]=4 8068 B13R2.5120 [13CH3]N1CCC2(CCC(=O)N2)CC1 269982a_100016994586_200025704644 [0,1,0,1,0,0|2,0,0]=4 8069 B13R2.5120 [13CH3]N1CCC2(CCC(=O)N2)CC1 34a_100016994586_200025704644 [0,1,0,1,0,0|2,0,0]=4 8070 B13R2.5120 [13CH3]N1CCC2(CCC(=O)O2)CC1 2230a_100015191184_200025704644 [0,1,0,1,0,0|1,0,0]=3 8071 B13R2.5120 [13CH3]N1CCC2(CCC(=O)O2)CC1 269982a_100015191184_200025704644 [0,1,0,1,0,0|1,0,0]=3 8072 B13R2.5120 [13CH3]N1CCC2(CCC(=O)O2)CC1 34a_100015191184_200025704644 [0,1,0,1,0,0|1,0,0]=3 8073 B13R2.27 O=C1CCC1NC2CCCCC2 34a_100000182618_100009892977 [0,1,0,1,0,0|2,0,0]=4 8074 B13R2.27 O=C1CCC1OC2CCCCC2 34a_100000210231_100009892977 [0,1,0,1,0,0|2,0,0]=4 8075 B13R2.27 O=C1CCC1OC2CCCCC2 7a_100000210231_100009892977 [0,1,0,1,0,0|2,0,0]=4 8076 B13R2.27 O=C1CCC1SC2CCCCC2 62a_100000210327_100009892977 [0,1,0,1,0,0|2,0,0]=4 8077 B13R2.27 O=C1CCC1SC2CCCCC2 62a_100009892977_100000210327 [0,1,0,1,0,0|2,0,0]=4 8078 B13R2.57 COC1CCC2CCCCC2C1 34a_100000211317_200000210301 [0,1,0,1,0,0|1,0,1]=4 8079 B13R2.57 COC1CCC2CCCCC2C1 7a_100000211317_200000210301 [0,1,0,1,0,0|1,0,1]=4 8080 B13R2.57 [13CH3]OC1CCC2CCCCC2C1 34a_100000211317_200025704644 [0,1,0,1,0,0|1,0,1]=4 8081 B13R2.57 [13CH3]OC1CCC2CCCCC2C1 7a_100000211317_200025704644 [0,1,0,1,0,0|1,0,1]=4 8082 B13R2.528 CCC(=O)C1CC12CCOCC2 1458a_100000766831_100000210202 [0,1,0,1,0,0|2,0,0]=4 8083 B13R2.528 CNC(=O)C1CC12CCOCC2 11a_106832991635_100000766831 [0,1,0,1,0,0|2,0,0]=4 8084 B13R2.528 CNC(=O)C1CC12CCOCC2 1626a_100102657272_100000766831 [0,1,0,1,0,0|2,0,0]=4 8085 B13R2.528 CNC(=O)C1CC12CCOCC2 240690a_100102657272_100000766831 [0,1,0,1,0,0|2,0,0]=4 8086 B13R2.528 CNC(=O)C1CC12CCOCC2 527a_100102657272_100000766831 [0,1,0,1,0,0|2,0,0]=4 8087 B13R2.528 O=C(CF)C1CC12CCOCC2 1458a_100000766831_100015361967 [0,1,0,1,0,0|2,0,0]=4 8088 B13R2.1106 CCC(=O)CN1C2CCC1CC2 269982a_100000735658_100000747405 [0,1,0,1,0,0|2,0,0]=4 8089 B13R2.1106 CNC(=O)CN1C2CCC1CC2 2230a_100000735658_100000183359 [0,1,0,1,0,0|2,0,0]=4 8090 B13R2.1106 CNC(=O)CN1C2CCC1CC2 269982a_100000735658_100000183359 [0,1,0,1,0,0|2,0,0]=4 8091 B13R2.1106 CNC(=O)CN1C2CCC1CC2 34a_100000735658_100000183359 [0,1,0,1,0,0|2,0,0]=4 8092 B13R2.1106 COC(=O)CN1C2CCC1CC2 2230a_100000735658_100000747449 [0,1,0,1,0,0|1,0,0]=3 8093 B13R2.1106 COC(=O)CN1C2CCC1CC2 269982a_100000735658_100000747449 [0,1,0,1,0,0|1,0,0]=3 8094 B13R2.1106 COC(=O)CN1C2CCC1CC2 34a_100000735658_100000747449 [0,1,0,1,0,0|1,0,0]=3 8095 B13R2.1125 COC(=O)CNC1C2C1COC2 2230a_100000702821_100000747449 [0,1,0,1,0,0|2,0,0]=4 8096 B13R2.1125 COC(=O)CNC1C2C1COC2 34a_100000702821_100000747449 [0,1,0,1,0,0|2,0,0]=4 8097 B13R2.1132 CNC(=O)CCN1CC2CC2C1 2230a_100000741873_100000737683 [0,1,0,1,0,0|2,0,0]=4 8098 B13R2.1132 CNC(=O)CCN1CC2CC2C1 269982a_100000741873_100000737683 [0,1,0,1,0,0|2,0,0]=4 8099 B13R2.1132 CNC(=O)CCN1CC2CC2C1 34a_100000741873_100012179268 [0,1,0,1,0,0|2,0,0]=4 8100 B13R2.1132 CNC(=O)CNC1CC2CC2C1 270004a_100000693194_100010340937 [0,1,0,1,0,0|2,0,0]=4 8101 B13R2.1132 COC(=O)CCN1CC2CC2C1 2230a_100000741873_100000204255 [0,1,0,1,0,0|1,0,0]=3 8102 B13R2.1132 COC(=O)CCN1CC2CC2C1 269982a_100000741873_100000204255 [0,1,0,1,0,0|1,0,0]=3 8103 B13R2.1132 COC(=O)CCN1CC2CC2C1 34a_100000741873_100000742370 [0,1,0,1,0,0|1,0,0]=3 8104 B13R2.1153 C=CC(=O)N1CC2CCC1CC2 1626a_100000750499_100000185746 [0,1,0,1,0,0|2,0,0]=4 8105 B13R2.1153 C=CC(=O)N1CC2CCC1CC2 240690a_100000750499_200121576911 [0,1,0,1,0,0|2,0,0]=4 8106 B13R2.1153 CCC(=O)C1CC2CCN1CC2 1458a_100102578056_100000210202 [0,1,0,1,0,0|2,0,0]=4 8107 B13R2.1153 CCC(=O)N1CC2CCC1CC2 11a_100000750499_100000210414 [0,1,0,1,0,0|2,0,0]=4 8108 B13R2.1153 CCC(=O)N1CC2CCC1CC2 1626a_100000750499_100000210414 [0,1,0,1,0,0|2,0,0]=4 8109 B13R2.1153 CCC(=O)N1CC2CCC1CC2 240690a_100000750499_100000210414 [0,1,0,1,0,0|2,0,0]=4 8110 B13R2.1153 CCC(=O)N1CC2CCC1CC2 527a_100000750499_100000210414 [0,1,0,1,0,0|2,0,0]=4 8111 B13R2.1153 CNC(=O)C1CC2CCN1CC2 240690a_100102657272_100102578056 [0,1,0,1,0,0|2,0,0]=4 8112 B13R2.1153 CNC(=O)C1CC2CCN1CC2 527a_100102657272_100102578056 [0,1,0,1,0,0|2,0,0]=4 8113 B13R2.1153 CNC(=O)C1CN2CCC1CC2 11a_106832991635_100000724783 [0,1,0,1,0,0|2,0,0]=4 8114 B13R2.1153 CNC(=O)C1CN2CCC1CC2 240690a_100102657272_100000724783 [0,1,0,1,0,0|2,0,0]=4 8115 B13R2.1153 CNC(=O)N1CC2CCC1CC2 2708a_100102657272_100000750499 [0,1,0,1,0,0|2,0,0]=4 8116 B13R2.1153 CNC(=O)N1CC2CCC1CC2 273464a_100102657272_100000750499 [0,1,0,1,0,0|2,0,0]=4 8117 B13R2.1153 O=C(CF)C1CC2CCN1CC2 1458a_100102578056_100015361967 [0,1,0,1,0,0|2,0,0]=4 8118 B13R2.1153 O=C(CO)N1CC2CCC1CC2 240690a_100000750499_100000210174 [0,1,0,1,0,0|1,0,0]=3 8119 B13R2.1153 O=C(CO)N1CC2CCC1CC2 527a_100000750499_100000210174 [0,1,0,1,0,0|1,0,0]=3 8120 B13R2.1304 CNC(=O)CNC1CCC2C1C2 269862a_100000693194_100000692480 [0,1,0,1,0,0|2,0,0]=4 8121 B13R2.1304 CNC(=O)CNC1CCC2C1C2 270004a_100000693194_100000692480 [0,1,0,1,0,0|2,0,0]=4 8122 B13R2.1304 CNC(=O)COC1CCC2C1C2 34a_200012295571_100000183359 [0,1,0,1,0,0|2,0,0]=4 8123 B13R2.1304 COC(=O)COC1CCC2C1C2 34a_200012295571_100000747449 [0,1,0,1,0,0|1,0,0]=3 8124 B13R2.435 CC(=O)N1C[C@H]2CCCC[C@H]2C1 11a_100015204113_100015343762 [0,1,0,1,0,0|2,0,0]=4 8125 B13R2.435 CC(=O)N1C[C@H]2CCCC[C@H]2C1 1626a_100015204113_100015343762 [0,1,0,1,0,0|2,0,0]=4 8126 B13R2.435 CC(=O)N1C[C@H]2CCCC[C@H]2C1 240690a_100015204113_100015343762 [0,1,0,1,0,0|2,0,0]=4 8127 B13R2.435 CC(=O)N1C[C@H]2CCCC[C@H]2C1 527a_100015204113_100103153847 [0,1,0,1,0,0|2,0,0]=4 8128 B13R2.7919 CC(OC1CCC2C1C2)C(=O)N 34a_200012295571_100000702099 [0,1,0,1,0,0|2,0,0]=4 8129 B13R2.7919 C[C@@H](NC1CCC2C1C2)C(=O)N 270004a_100000119354_100000692480 [0,1,0,1,0,0|2,0,0]=4 8130 B13R2.7919 NC(=O)C(F)OC1CCC2C1C2 34a_200012295571_100009813875 [0,1,0,1,0,0|2,0,0]=4 8131 B13R2.7919 O=C([O-])C(F)OC1CCC2C1C2 34a_200012295571_100020610796 [0,1,0,1,0,0|1,0,1]=4 8132 B13R2.7921 C[C@@H](NC1CC2CC2C1)C(=O)N 270004a_100000119354_100010340937 [0,1,0,1,0,0|2,0,0]=4 8133 B13R2.7936 CC(=O)C(C)N1C2CCC1CC2 2230a_100000735658_100009814033 [0,1,0,1,0,0|2,0,0]=4 8134 B13R2.7936 CC(=O)C(C)N1C2CCC1CC2 269982a_100000735658_100009814033 [0,1,0,1,0,0|2,0,0]=4 8135 B13R2.7936 CC(C(=O)N)N1C2CCC1CC2 2230a_100000735658_100000702099 [0,1,0,1,0,0|2,0,0]=4 8136 B13R2.7936 CC(C(=O)N)N1C2CCC1CC2 269982a_100000735658_100000184083 [0,1,0,1,0,0|2,0,0]=4 8137 B13R2.7936 CC(C(=O)N)N1C2CCC1CC2 34a_100000735658_100000702099 [0,1,0,1,0,0|2,0,0]=4 8138 B13R2.7936 NC(=O)C(F)N1C2CCC1CC2 2230a_100000735658_100009813875 [0,1,0,1,0,0|2,0,0]=4 8139 B13R2.7936 NC(=O)C(F)N1C2CCC1CC2 269982a_100000735658_100009813875 [0,1,0,1,0,0|2,0,0]=4 8140 B13R2.7936 NC(=O)C(F)N1C2CCC1CC2 34a_100000735658_100009813875 [0,1,0,1,0,0|2,0,0]=4 8141 B13R2.7936 O=C([O-])C(F)N1C2CCC1CC2 34a_100000735658_100020610796 [0,1,0,1,0,0|1,0,1]=4 8142 B13R2.4014 CN1CC(=O)NC12CCCCC2 2230a_200015869604_200000210301 [0,1,0,1,0,0|2,0,0]=4 8143 B13R2.4014 CN1CC(=O)NC12CCCCC2 34a_200015869604_200000210301 [0,1,0,1,0,0|2,0,0]=4 8144 B13R2.4014 [13CH3]N1CC(=O)NC12CCCCC2 2230a_200015869604_200025704644 [0,1,0,1,0,0|2,0,0]=4 8145 B13R2.4014 [13CH3]N1CC(=O)NC12CCCCC2 34a_200015869604_200025704644 [0,1,0,1,0,0|2,0,0]=4 8146 B13R2.10119 CN(CC(=O)N)C1CCC2C1C2 270004a_100000739694_100000692480 [0,1,0,1,0,0|2,0,0]=4 8147 B13R2.10121 CN(CC(=O)N)C1CC2CC2C1 270004a_100000739694_100010340937 [0,1,0,1,0,0|2,0,0]=4 8148 B13R2.216 CC1CCCCN1C2CC(=O)C2 269982a_100000211376_100009894365 [0,1,0,1,0,0|2,0,0]=4 8149 B13R2.5551 CC(=O)CCN1CC2CCC1C2 269982a_100000743476_100000053229 [0,1,0,1,0,0|2,0,0]=4 8150 B13R2.5551 CC(=O)COC1CC2CCC1C2 34a_100000211253_100000727232 [0,1,0,1,0,0|2,0,0]=4 8151 B13R2.5551 NC(=O)CCN1CC2CCC1C2 2230a_100000743476_100000744528 [0,1,0,1,0,0|2,0,0]=4 8152 B13R2.5551 NC(=O)CCN1CC2CCC1C2 269982a_100000743476_100000744528 [0,1,0,1,0,0|2,0,0]=4 8153 B13R2.5551 NC(=O)CCN1CC2CCC1C2 34a_100000743476_100000731001 [0,1,0,1,0,0|2,0,0]=4 8154 B13R2.5551 NC(=O)CNC1CC2CCC1C2 2230a_100000758229_100000747473 [0,1,0,1,0,0|2,0,0]=4 8155 B13R2.5551 NC(=O)CNC1CC2CCC1C2 34a_100000758229_100000187820 [0,1,0,1,0,0|2,0,0]=4 8156 B13R2.5551 NC(=O)COC1CC2CCC1C2 34a_100000211339_100000187820 [0,1,0,1,0,0|2,0,0]=4 8157 B13R2.5551 NC(=O)CSC1CC2CCC1C2 62a_100000727232_100000747473 [0,1,0,1,0,0|2,0,0]=4 8158 B13R2.5551 NC(=O)CSC1CC2CCC1C2 62a_100000747473_100000727232 [0,1,0,1,0,0|2,0,0]=4 8159 B13R2.5551 O=C(O)CNC1CC2CCC1C2 269956a_100016091260_100000727232 [0,1,0,1,0,0|1,0,0]=3 8160 B13R2.5551 O=C([O-])CNC1CC2CCC1C2 34a_100000758229_100020667443 [0,1,0,1,0,0|1,0,1]=4 8161 B13R2.5551 O=C([O-])COC1CC2CCC1C2 34a_100000211339_100020667443 [0,1,0,1,0,0|1,0,1]=4 8162 B13R2.5551 O=C([O-])CSC1CC2CCC1C2 62a_100000727232_100020667443 [0,1,0,1,0,0|1,0,1]=4 8163 B13R2.5551 O=C([O-])CSC1CC2CCC1C2 62a_100020667443_100000727232 [0,1,0,1,0,0|1,0,1]=4 8164 B13R2.151 C[C@H]1CCCN(C1)C2CC(=O)C2 269982a_100000717927_100009894365 [0,1,0,1,0,0|2,0,0]=4 8165 B13R2.151 O=C1CC(C1)N2CCCC(C2)F 269982a_100000697950_100009894365 [0,1,0,1,0,0|2,0,0]=4 8166 B13R2.151 O=C1CC(C1)N2CCCC(C2)O 269982a_100000211013_100009894365 [0,1,0,1,0,0|2,0,0]=4 8167 B13R3.3740 O=C1CC(C1)N2CC3CC3C2 269982a_100000741873_100009894365 [0,0,0,2,0,0|2,0,0]=4 8168 B9R0.14 CCCC(CC)NC(=O)C 11a_100000747048_100015343762 [0,0,1,0,1,0|2,0,0]=4 8169 B9R0.14 CCCC(CC)NC(=O)C 1626a_100000747048_100015343762 [0,0,1,0,1,0|2,0,0]=4 8170 B9R0.14 CCCC(CC)NC(=O)C 240690a_100000747048_100015343762 [0,0,1,0,1,0|2,0,0]=4 8171 B9R0.14 CCCC(CC)NC(=O)C 527a_100000747048_100103153847 [0,0,1,0,1,0|2,0,0]=4 8172 B9R0.14 CCCN(CC)CC(=O)N 2230a_100000226822_100000747473 [0,0,1,0,1,0|2,0,0]=4 8173 B9R0.14 CCCN(CC)CC(=O)N 269982a_100000226822_100000187820 [0,0,1,0,1,0|2,0,0]=4 8174 B9R0.14 CCCN(CC)CC(=O)O 269956a_100000746405_100000210207 [0,0,1,0,1,0|1,0,0]=3 8175 B9R0.14 CCCN(CC)CC(=O)[O-] 269982a_100000226822_100020667443 [0,0,1,0,1,0|1,0,1]=4 8176 B9R0.14 CCN(CCF)CC(=O)O 269956a_100000746405_100011217306 [0,0,1,0,1,0|2,0,0]=4 8177 B9R0.14 CCN(CCO)CC(=O)O 269956a_100000746405_100000211926 [0,0,1,0,1,0|2,0,0]=4 8178 B9R0.14 CCN(CCO)CC(=O)O 269956a_100000747938_100000210202 [0,0,1,0,1,0|2,0,0]=4 8179 B9R0.14 CCN(COC)CC(=O)O 269956a_100000746405_100000766300 [0,0,1,0,1,0|2,0,0]=4 8180 B9R0.14 CCN(CSC)CC(=O)O 269956a_100000746405_100011218213 [0,0,1,0,1,0|2,0,0]=4 8181 B9R0.14 CCN[C@H](CC)CC(=O)O 269956a_100016995926_100000210202 [0,0,1,0,1,0|1,0,0]=3 8182 B9R0.14 CCN[C@H](CO)CC(=O)O 269956a_100009816507_100000210202 [0,0,1,0,1,0|2,0,0]=4 8183 B9R0.14 CC[C@H](CC(=O)O)NCF 269956a_100016995926_100015361967 [0,0,1,0,1,0|2,0,0]=4 8184 B9R0.4 CCCCC(C)NC(=O)C 11a_100000126638_100015343762 [0,0,1,0,1,0|2,0,0]=4 8185 B9R0.4 CCCCC(C)NC(=O)C 1626a_100000126638_100015343762 [0,0,1,0,1,0|2,0,0]=4 8186 B9R0.4 CCCCC(C)NC(=O)C 240690a_100000126638_100015343762 [0,0,1,0,1,0|2,0,0]=4 8187 B9R0.4 CCCCC(C)NC(=O)C 527a_100000126638_100103153847 [0,0,1,0,1,0|2,0,0]=4 8188 B9R0.4 CCCCN(C)CC(=O)N 2230a_100000207549_100000747473 [0,0,1,0,1,0|2,0,0]=4 8189 B9R0.4 CCCCN(C)CC(=O)N 2230a_100000739694_100000210211 [0,0,1,0,1,0|2,0,0]=4 8190 B9R0.4 CCCCN(C)CC(=O)N 269982a_100000207549_100000187820 [0,0,1,0,1,0|2,0,0]=4 8191 B9R0.4 CCCCN(C)CC(=O)O 269956a_100000746989_100000210211 [0,0,1,0,1,0|1,0,0]=3 8192 B9R0.4 CCCCN(C)CC(=O)[O-] 269982a_100000207549_100020667443 [0,0,1,0,1,0|1,0,1]=4 8193 B9R0.4 CCNCC(O)CC(=O)O 269956a_100011218706_100000210202 [0,0,1,0,1,0|2,0,0]=4 8194 B9R0.4 CCOCN(C)CC(=O)O 269956a_100000746989_100000739092 [0,0,1,0,1,0|2,0,0]=4 8195 B9R0.4 CN(CCCF)CC(=O)O 269956a_100000746989_100011934791 [0,0,1,0,1,0|2,0,0]=4 8196 B9R0.4 CN(CCCO)CC(=O)O 269956a_100000746989_100011215043 [0,0,1,0,1,0|2,0,0]=4 8197 B9R0.4 COCCN(C)CC(=O)O 269956a_100000746989_100000233755 [0,0,1,0,1,0|2,0,0]=4 8198 B9R0.4 CSCCN(C)CC(=O)O 269956a_100000746989_100000212216 [0,0,1,0,1,0|2,0,0]=4 8199 B9R1.12 C=CCCN1CCCC1 2230a_100000188435_100000754431 [1,0,0,0,1,0|2,0,0]=4 8200 B9R1.12 C=CCCN1CCCC1 269982a_100000188435_100000754431 [1,0,0,0,1,0|2,0,0]=4 8201 B9R1.12 C=CCNC1CCCC1 2230a_100000211070_100000210623 [1,0,0,0,1,0|2,0,0]=4 8202 B9R1.12 C=CCNC1CCCC1 2230a_100020586998_100000179811 [1,0,0,0,1,0|2,0,0]=4 8203 B9R1.12 C=CCNC1CCCC1 270004a_100020586998_100000210133 [1,0,0,0,1,0|2,0,0]=4 8204 B9R1.12 C=CCNC1CCCC1 34a_100000211070_100015514636 [1,0,0,0,1,0|2,0,0]=4 8205 B9R1.12 C=CCOC1CCCC1 34a_100000210269_100015514636 [1,0,0,0,1,0|2,0,0]=4 8206 B9R1.12 C=CCOC1CCCC1 34a_200000210373_100000179811 [1,0,0,0,1,0|2,0,0]=4 8207 B9R1.12 C=CCOC1CCCC1 7a_100000210269_100015514636 [1,0,0,0,1,0|2,0,0]=4 8208 B9R1.12 C=CCSC1CCCC1 62a_100000210623_100000179811 [1,0,0,0,1,0|2,0,0]=4 8209 B9R1.12 C=CCSC1CCCC1 62a_100011217020_100000210623 [1,0,0,0,1,0|2,0,0]=4 8210 B9R1.12 CNCCC1CCCC1 2230a_100000739158_200000210301 [1,0,0,0,1,0|2,0,0]=4 8211 B9R1.12 CNCCC1CCCC1 2230a_106832991635_100000760354 [1,0,0,0,1,0|2,0,0]=4 8212 B9R1.12 CNCCC1CCCC1 34a_100000739158_200000210301 [1,0,0,0,1,0|2,0,0]=4 8213 B9R1.12 CNCCC1CCCC1 34a_100102657272_100000760354 [1,0,0,0,1,0|2,0,0]=4 8214 B9R1.12 CNCCC1CCCC1 7a_106832991635_100000760354 [1,0,0,0,1,0|2,0,0]=4 8215 B9R1.12 COCCC1CCCC1 34a_100000749090_200000210301 [1,0,0,0,1,0|2,0,0]=4 8216 B9R1.12 COCCC1CCCC1 34a_100138415774_100000760354 [1,0,0,0,1,0|2,0,0]=4 8217 B9R1.12 COCCC1CCCC1 7a_100000749090_200000210301 [1,0,0,0,1,0|2,0,0]=4 8218 B9R1.12 CSCCC1CCCC1 62a_100000760354_200000210301 [1,0,0,0,1,0|2,0,0]=4 8219 B9R1.12 CSCCC1CCCC1 62a_200000210301_100000760354 [1,0,0,0,1,0|2,0,0]=4 8220 B9R1.12 O=CCNC1CCCC1 2230a_100000211070_200015260668 [1,0,0,0,1,0|1,0,0]=3 8221 B9R1.12 O=CCNC1CCCC1 34a_100000211070_200009817547 [1,0,0,0,1,0|1,0,0]=3 8222 B9R1.12 O=CCN[C@@H]1CCOC1 2230a_200015188469_200015260668 [1,0,0,0,1,0|2,0,0]=4 8223 B9R1.12 O=CCN[C@H]1CCOC1 2230a_100015188467_200015260668 [1,0,0,0,1,0|2,0,0]=4 8224 B9R1.12 O=CCN[C@H]1CCOC1 34a_100015188467_200009817547 [1,0,0,0,1,0|2,0,0]=4 8225 B9R1.12 O=CCOC1CCCC1 34a_100000210269_200009817547 [1,0,0,0,1,0|1,0,0]=3 8226 B9R1.12 O=CCOC1CCCC1 7a_100000210269_200015260668 [1,0,0,0,1,0|1,0,0]=3 8227 B9R1.12 O=CCOC1CCCO1 34a_100000085407_200009817547 [1,0,0,0,1,0|2,0,0]=4 8228 B9R1.12 O=CCOC1CCSC1 7a_100011232664_200015260668 [1,0,0,0,1,0|2,0,0]=4 8229 B9R1.12 O=CCO[C@H]1CCOC1 34a_100000717292_200009817547 [1,0,0,0,1,0|2,0,0]=4 8230 B9R1.12 O=CCSC1CCCC1 62a_100011217020_200015260668 [1,0,0,0,1,0|1,0,0]=3 8231 B9R1.12 O=CCSC1CCCC1 62a_200015260668_100000179811 [1,0,0,0,1,0|1,0,0]=3 8232 B9R1.12 O=CCSC1CCOC1 62a_200015260668_100000690089 [1,0,0,0,1,0|2,0,0]=4 8233 B9R1.12 OCCCN1CCCC1 2230a_100000188435_100000230001 [1,0,0,0,1,0|1,0,1]=4 8234 B9R1.12 OCCCN1CCCC1 269982a_100000188435_100011215043 [1,0,0,0,1,0|1,0,1]=4 8235 B9R1.12 OCCNC1CCCC1 2230a_100000211070_100000211926 [1,0,0,0,1,0|1,0,1]=4 8236 B9R1.12 OCCNC1CCCC1 2230a_100016997473_100000179811 [1,0,0,0,1,0|1,0,1]=4 8237 B9R1.12 OCCNC1CCCC1 270004a_100000210304_100000210133 [1,0,0,0,1,0|1,0,1]=4 8238 B9R1.12 OCCNC1CCCC1 34a_100000211070_100000211926 [1,0,0,0,1,0|1,0,1]=4 8239 B9R1.12 OCCNC1CCCC1 34a_100016990907_100000179811 [1,0,0,0,1,0|1,0,1]=4 8240 B9R1.12 OCCOC1CCCC1 34a_100000210269_100000211926 [1,0,0,0,1,0|1,0,1]=4 8241 B9R1.12 OCCOC1CCCC1 7a_100000210269_100000211926 [1,0,0,0,1,0|1,0,1]=4 8242 B9R1.12 OCCSC1CCCC1 62a_100000211926_100000179811 [1,0,0,0,1,0|1,0,1]=4 8243 B9R1.12 OCCSC1CCCC1 62a_100011217020_100000211926 [1,0,0,0,1,0|1,0,1]=4 8244 B9R1.12 [13CH3]NCCC1CCCC1 2230a_100000739158_200025704644 [1,0,0,0,1,0|2,0,0]=4 8245 B9R1.12 [13CH3]NCCC1CCCC1 34a_100000739158_200025704644 [1,0,0,0,1,0|2,0,0]=4 8246 B9R1.12 [13CH3]OCCC1CCCC1 34a_100000749090_200025704644 [1,0,0,0,1,0|2,0,0]=4 8247 B9R1.12 [13CH3]OCCC1CCCC1 7a_100000749090_200025704644 [1,0,0,0,1,0|2,0,0]=4 8248 B9R1.12 [13CH3]SCCC1CCCC1 62a_100000760354_200025704644 [1,0,0,0,1,0|2,0,0]=4 8249 B9R1.12 [13CH3]SCCC1CCCC1 62a_200025704644_100000760354 [1,0,0,0,1,0|2,0,0]=4 8250 B9R1.6 CC(=O)C1CCCCC1 1458a_100000070787_100000210327 [0,0,0,0,2,0|1,0,0]=3 8251 B9R1.6 CC(=O)C1CCCCC1 1458a_100000210647_200000210301 [0,0,0,0,2,0|1,0,0]=3 8252 B9R1.6 CC(=O)C1CCCCO1 1458a_100000748299_200000210301 [0,0,0,0,2,0|2,0,0]=4 8253 B9R1.6 CC(=O)C1CCCOC1 1458a_100000070787_100000693364 [0,0,0,0,2,0|2,0,0]=4 8254 B9R1.6 CC(=O)C1CCCOC1 1458a_100000741522_200000210301 [0,0,0,0,2,0|2,0,0]=4 8255 B9R1.6 CC(=O)C1CCOCC1 1458a_100000070787_100011324220 [0,0,0,0,2,0|2,0,0]=4 8256 B9R1.6 CC(=O)C1CCOCC1 1458a_100000195482_200000210301 [0,0,0,0,2,0|2,0,0]=4 8257 B9R1.6 CC(=O)C1CCSCC1 1458a_100000755232_200000210301 [0,0,0,0,2,0|2,0,0]=4 8258 B9R1.6 [13CH3]C(=O)C1CCCCC1 1458a_100000210647_200025704644 [0,0,0,0,2,0|1,0,0]=3 8259 B9R1.6 [13CH3]C(=O)C1CCCCO1 1458a_100000748299_200025704644 [0,0,0,0,2,0|2,0,0]=4 8260 B9R1.6 [13CH3]C(=O)C1CCCOC1 1458a_100000741522_200025704644 [0,0,0,0,2,0|2,0,0]=4 8261 B9R1.6 [13CH3]C(=O)C1CCOCC1 1458a_100000195482_200025704644 [0,0,0,0,2,0|2,0,0]=4 8262 B9R1.6 [13CH3]C(=O)C1CCSCC1 1458a_100000755232_200025704644 [0,0,0,0,2,0|2,0,0]=4 8263 B9R1.13 CC(=O)CC1CCCC1 1458a_100000070787_100000740388 [0,0,0,0,2,0|1,0,0]=3 8264 B9R1.13 CC(=O)CC1CCCC1 1458a_100000210891_200000210301 [0,0,0,0,2,0|1,0,0]=3 8265 B9R1.13 CC(=O)CC1CCCO1 1458a_100000070787_100000203698 [0,0,0,0,2,0|2,0,0]=4 8266 B9R1.13 CC(=O)CC1CCOC1 1458a_100000070787_100000702531 [0,0,0,0,2,0|2,0,0]=4 8267 B9R1.13 CC(=O)CC1CCOC1 1458a_100011218419_200000210301 [0,0,0,0,2,0|2,0,0]=4 8268 B9R1.13 CC(=O)CN1CCCC1 1458a_100000740243_200000210301 [0,0,0,0,2,0|2,0,0]=4 8269 B9R1.13 CC(=O)NC1CCCC1 11a_100000211070_100015343762 [0,0,0,0,2,0|2,0,0]=4 8270 B9R1.13 CC(=O)NC1CCCC1 1626a_100000211070_100015343762 [0,0,0,0,2,0|2,0,0]=4 8271 B9R1.13 CC(=O)NC1CCCC1 240690a_100000211070_100015343762 [0,0,0,0,2,0|2,0,0]=4 8272 B9R1.13 CC(=O)NC1CCCC1 527a_100000211070_100103153847 [0,0,0,0,2,0|2,0,0]=4 8273 B9R1.13 NC(=O)CN1CCCC1 2230a_100000188435_100000747473 [0,0,0,0,2,0|2,0,0]=4 8274 B9R1.13 NC(=O)CN1CCCC1 269982a_100000188435_100000187820 [0,0,0,0,2,0|2,0,0]=4 8275 B9R1.13 O=C([O-])CN1CCCC1 269982a_100000188435_100020667443 [0,0,0,0,2,0|1,0,1]=4 8276 B9R1.13 [13CH3]C(=O)CC1CCCC1 1458a_100000210891_200025704644 [0,0,0,0,2,0|1,0,0]=3 8277 B9R1.13 [13CH3]C(=O)CC1CCOC1 1458a_100011218419_200025704644 [0,0,0,0,2,0|2,0,0]=4 8278 B9R1.13 [13CH3]C(=O)CN1CCCC1 1458a_100000740243_200025704644 [0,0,0,0,2,0|2,0,0]=4 8279 B9R1.84 CC(=O)CCN1CCC1 269982a_100000754969_100000053229 [0,0,0,0,2,0|2,0,0]=4 8280 B9R1.84 CC(=O)COC1CCC1 34a_100000211253_100000749161 [0,0,0,0,2,0|2,0,0]=4 8281 B9R1.84 CC(=O)NCC1CCC1 11a_100000738700_100015343762 [0,0,0,0,2,0|2,0,0]=4 8282 B9R1.84 CC(=O)NCC1CCC1 1626a_100000738700_100015343762 [0,0,0,0,2,0|2,0,0]=4 8283 B9R1.84 CC(=O)NCC1CCC1 240690a_100000738700_100015343762 [0,0,0,0,2,0|2,0,0]=4 8284 B9R1.84 CC(=O)NCC1CCC1 527a_100000738700_100103153847 [0,0,0,0,2,0|2,0,0]=4 8285 B9R1.84 NC(=O)CCN1CCC1 269982a_100000754969_100000744528 [0,0,0,0,2,0|2,0,0]=4 8286 B9R1.84 NC(=O)CNC1CCC1 2230a_100000749019_100000747473 [0,0,0,0,2,0|2,0,0]=4 8287 B9R1.84 NC(=O)CNC1CCC1 34a_100000749019_100000187820 [0,0,0,0,2,0|2,0,0]=4 8288 B9R1.84 NC(=O)COC1CCC1 34a_100000748187_100000187820 [0,0,0,0,2,0|2,0,0]=4 8289 B9R1.84 NC(=O)CSC1CCC1 62a_100000747473_100000749161 [0,0,0,0,2,0|2,0,0]=4 8290 B9R1.84 O=C(O)CNC1CCC1 269956a_100016091260_100000749161 [0,0,0,0,2,0|1,0,0]=3 8291 B9R1.84 O=C(O)CNC1COC1 269956a_100016091260_100009818527 [0,0,0,0,2,0|2,0,0]=4 8292 B9R1.84 O=C([O-])CNC1CCC1 34a_100000749019_100020667443 [0,0,0,0,2,0|1,0,1]=4 8293 B9R1.84 O=C([O-])COC1CCC1 34a_100000748187_100020667443 [0,0,0,0,2,0|1,0,1]=4 8294 B9R1.84 O=C([O-])CSC1CCC1 62a_100020667443_100000749161 [0,0,0,0,2,0|1,0,1]=4 8295 B11R0.45 C=C(C)CCNC(CC)CCC 2230a_100000747048_100000730704 [0,0,1,0,0,1|2,0,0]=4 8296 B11R0.45 C=C(C)CCOC(CC)CCC 34a_100000687864_100000730704 [0,0,1,0,0,1|2,0,0]=4 8297 B11R0.45 C=C(C)CCOC(CC)CCC 7a_100000687864_100000730704 [0,0,1,0,0,1|2,0,0]=4 8298 B11R0.45 C=C(C)CCSC(CC)CCC 62a_100000730704_100011219200 [0,0,1,0,0,1|2,0,0]=4 8299 B11R0.45 C=C(C)CCSC(CC)CCC 62a_100011219200_100000730704 [0,0,1,0,0,1|2,0,0]=4 8300 B11R0.45 CCC(COC)NCCC(=O)N 2230a_100000757820_100000744528 [0,0,1,0,0,1|2,0,0]=4 8301 B11R0.45 CCC(COC)OCCC(=O)C 7a_200011214946_100000053229 [0,0,1,0,0,1|2,0,0]=4 8302 B11R0.45 CCC(COC)OCCC(=O)N 7a_200011214946_100000744528 [0,0,1,0,0,1|2,0,0]=4 8303 B11R0.45 CCCC(CC)NCCC(=O)N 2230a_100000747048_100000744528 [0,0,1,0,0,1|1,0,0]=3 8304 B11R0.45 CCCC(CC)NCCC(C)O 2230a_100000747048_100012276601 [0,0,1,0,0,1|1,0,1]=4 8305 B11R0.45 CCCC(CC)NCCC(C)O 270004a_200000755665_100000687865 [0,0,1,0,0,1|1,0,1]=4 8306 B11R0.45 CCCC(CC)NOCC(=O)O 269956a_100000106656_100011219200 [0,0,1,0,0,1|1,0,0]=3 8307 B11R0.45 CCCC(CC)OCCC(=O)C 7a_100000687864_100000053229 [0,0,1,0,0,1|1,0,0]=3 8308 B11R0.45 CCCC(CC)OCCC(=O)C 7a_100000759926_100011219200 [0,0,1,0,0,1|1,0,0]=3 8309 B11R0.45 CCCC(CC)OCCC(=O)N 34a_100000687864_100000731001 [0,0,1,0,0,1|1,0,0]=3 8310 B11R0.45 CCCC(CC)OCCC(=O)N 7a_100000687864_100000744528 [0,0,1,0,0,1|1,0,0]=3 8311 B11R0.45 CCCC(CC)OCCC(=O)N 7a_100000757172_100011219200 [0,0,1,0,0,1|1,0,0]=3 8312 B11R0.45 CCCC(CC)OCCC(C)O 34a_100000687864_100012276601 [0,0,1,0,0,1|1,0,1]=4 8313 B11R0.45 CCCC(CC)OCCC(C)O 7a_100000687864_100012276601 [0,0,1,0,0,1|1,0,1]=4 8314 B11R0.45 CCCC(CC)OCOC(=O)C 34a_100000687864_100009813279 [0,0,1,0,0,1|2,0,0]=4 8315 B11R0.45 CCCC(CC)SCCC(=O)C 62a_100000053229_100011219200 [0,0,1,0,0,1|1,0,0]=3 8316 B11R0.45 CCCC(CC)SCCC(=O)C 62a_100011219200_100000053229 [0,0,1,0,0,1|1,0,0]=3 8317 B11R0.45 CCCC(CC)SCCC(=O)N 62a_100000744528_100011219200 [0,0,1,0,0,1|1,0,0]=3 8318 B11R0.45 CCCC(CC)SCCC(=O)N 62a_100011219200_100000744528 [0,0,1,0,0,1|1,0,0]=3 8319 B11R0.45 CCCC(CC)SCCC(C)O 62a_100011219200_100012276601 [0,0,1,0,0,1|1,0,1]=4 8320 B11R0.45 CCCC(CC)SCCC(C)O 62a_100012276601_100011219200 [0,0,1,0,0,1|1,0,1]=4 8321 B11R0.45 CCCC(CC)SCOC(=O)C 62a_100000076356_100011219200 [0,0,1,0,0,1|2,0,0]=4 8322 B11R0.45 CCCC(CC)SCOC(=O)C 62a_100011219200_100000076356 [0,0,1,0,0,1|2,0,0]=4 8323 B11R0.45 CCCN(CC)CCCC(=O)C 269982a_100000226822_100011215641 [0,0,1,0,0,1|2,0,0]=4 8324 B11R0.45 CCCN(CC)CCCC(=O)N 269982a_100000226822_100102525003 [0,0,1,0,0,1|2,0,0]=4 8325 B11R0.45 CCCN(CC)CCNC(=O)C 2230a_100000226822_100000189650 [0,0,1,0,0,1|2,0,0]=4 8326 B11R0.45 CCCN(CC)CCNC(=O)C 269982a_100000226822_100000189650 [0,0,1,0,0,1|2,0,0]=4 8327 B11R0.45 CCCN(CC)CCNC(=O)N 2230a_100000226822_200000034859 [0,0,1,0,0,1|2,0,0]=4 8328 B11R0.45 CCCN(CC)CCNC(=O)N 269982a_100000226822_200000034859 [0,0,1,0,0,1|2,0,0]=4 8329 B11R0.45 CCCN(CC)CCOC(=O)C 269982a_100000226822_100009814007 [0,0,1,0,0,1|2,0,0]=4 8330 B11R0.45 CCCN(CC)CCOC(=O)N 269982a_100000226822_200011214921 [0,0,1,0,0,1|2,0,0]=4 8331 B11R0.45 CCC[C@@H](CO)NCCC(=O)N 2230a_100000732646_100000744528 [0,0,1,0,0,1|2,0,0]=4 8332 B11R0.45 CCC[C@@H](CO)NCCC(=O)N 34a_100000732646_100000731001 [0,0,1,0,0,1|2,0,0]=4 8333 B11R0.45 CCOC(CC)CNCC(=O)N 2230a_100015183923_100000747473 [0,0,1,0,0,1|2,0,0]=4 8334 B11R0.45 CCOC(CC)CNCC(=O)N 34a_100015183923_100000187820 [0,0,1,0,0,1|2,0,0]=4 8335 B11R0.45 CCOC(CC)CNCC(=O)[O-] 34a_100015183923_100020667443 [0,0,1,0,0,1|1,0,1]=4 8336 B11R1.203 C=CCCN1CCCCCC1 2230a_100000185865_100000754431 [1,0,0,0,0,1|2,0,0]=4 8337 B11R1.203 C=CCCN1CCCCCC1 269982a_100000185865_100000754431 [1,0,0,0,0,1|2,0,0]=4 8338 B11R1.203 C=CCCN1CCCCCC1 34a_100000185865_100000754431 [1,0,0,0,0,1|2,0,0]=4 8339 B11R1.203 C=CCCN1CCCOCC1 2230a_100000685342_100000754431 [1,0,0,0,0,1|2,0,0]=4 8340 B11R1.203 C=CCCN1CCCOCC1 269982a_100000685342_100000754431 [1,0,0,0,0,1|2,0,0]=4 8341 B11R1.203 C=CCCN1CCCOCC1 34a_100000685342_100000754431 [1,0,0,0,0,1|2,0,0]=4 8342 B11R1.203 C=CCNC1CCCCCC1 2230a_100000210984_100000210623 [1,0,0,0,0,1|2,0,0]=4 8343 B11R1.203 C=CCNC1CCCCCC1 270004a_100020586998_100000210131 [1,0,0,0,0,1|2,0,0]=4 8344 B11R1.203 C=CCNC1CCCCCC1 34a_100000210984_100015514636 [1,0,0,0,0,1|2,0,0]=4 8345 B11R1.203 C=CCNC1CCCNCC1 270004a_100020586998_100015187895 [1,0,0,0,0,1|2,0,0]=4 8346 B11R1.203 C=CCOC1CCCCCC1 34a_100000210887_100015514636 [1,0,0,0,0,1|2,0,0]=4 8347 B11R1.203 C=CCOC1CCCCCC1 34a_200000210373_100011217769 [1,0,0,0,0,1|2,0,0]=4 8348 B11R1.203 C=CCOC1CCCCCC1 7a_100000210887_100015514636 [1,0,0,0,0,1|2,0,0]=4 8349 B11R1.203 C=CCSC1CCCCCC1 62a_100000210623_100011217769 [1,0,0,0,0,1|2,0,0]=4 8350 B11R1.203 C=CCSC1CCCCCC1 62a_100011217769_100000210623 [1,0,0,0,0,1|2,0,0]=4 8351 B11R1.203 CNCCC1CCCCCC1 2230a_100011532351_200000210301 [1,0,0,0,0,1|2,0,0]=4 8352 B11R1.203 CNCCC1CCCCCC1 34a_100011532351_200000210301 [1,0,0,0,0,1|2,0,0]=4 8353 B11R1.203 O=CCNC1CCCCCC1 2230a_100000210984_200015260668 [1,0,0,0,0,1|1,0,0]=3 8354 B11R1.203 O=CCNC1CCCCCC1 34a_100000210984_200009817547 [1,0,0,0,0,1|1,0,0]=3 8355 B11R1.203 O=CCOC1CCCCCC1 34a_100000210887_200009817547 [1,0,0,0,0,1|1,0,0]=3 8356 B11R1.203 O=CCOC1CCCCCC1 7a_100000210887_200015260668 [1,0,0,0,0,1|1,0,0]=3 8357 B11R1.203 O=CCSC1CCCCCC1 62a_100011217769_200015260668 [1,0,0,0,0,1|1,0,0]=3 8358 B11R1.203 O=CCSC1CCCCCC1 62a_200015260668_100011217769 [1,0,0,0,0,1|1,0,0]=3 8359 B11R1.203 OCCCN1CCCCCC1 2230a_100000185865_100000230001 [1,0,0,0,0,1|1,0,1]=4 8360 B11R1.203 OCCCN1CCCCCC1 269982a_100000185865_100011215043 [1,0,0,0,0,1|1,0,1]=4 8361 B11R1.203 OCCCN1CCCCCC1 34a_100000185865_100000230001 [1,0,0,0,0,1|1,0,1]=4 8362 B11R1.203 OCCCN1CCCOCC1 2230a_100000685342_100000230001 [1,0,0,0,0,1|1,0,1]=4 8363 B11R1.203 OCCCN1CCCOCC1 269982a_100000685342_100011215043 [1,0,0,0,0,1|1,0,1]=4 8364 B11R1.203 OCCCN1CCCOCC1 34a_100000685342_100000230001 [1,0,0,0,0,1|1,0,1]=4 8365 B11R1.203 OCCNC1CCCCCC1 2230a_100000210984_100000211926 [1,0,0,0,0,1|1,0,1]=4 8366 B11R1.203 OCCNC1CCCCCC1 270004a_100000210304_100000210131 [1,0,0,0,0,1|1,0,1]=4 8367 B11R1.203 OCCNC1CCCCCC1 34a_100000210984_100000211926 [1,0,0,0,0,1|1,0,1]=4 8368 B11R1.203 OCCNC1CCCCCC1 34a_100016990907_100011217769 [1,0,0,0,0,1|1,0,1]=4 8369 B11R1.203 OCCNC1CCCNCC1 270004a_100000210304_100015187895 [1,0,0,0,0,1|1,0,1]=4 8370 B11R1.203 OCCOC1CCCCCC1 34a_100000210887_100000211926 [1,0,0,0,0,1|1,0,1]=4 8371 B11R1.203 OCCOC1CCCCCC1 7a_100000210887_100000211926 [1,0,0,0,0,1|1,0,1]=4 8372 B11R1.203 OCCSC1CCCCCC1 62a_100000211926_100011217769 [1,0,0,0,0,1|1,0,1]=4 8373 B11R1.203 OCCSC1CCCCCC1 62a_100011217769_100000211926 [1,0,0,0,0,1|1,0,1]=4 8374 B11R1.203 [13CH3]NCCC1CCCCCC1 2230a_100011532351_200025704644 [1,0,0,0,0,1|2,0,0]=4 8375 B11R1.203 [13CH3]NCCC1CCCCCC1 34a_100011532351_200025704644 [1,0,0,0,0,1|2,0,0]=4 8376 B13R1.337 C=C(Br)CCOCC1CCCCC1 34a_100009813270_100000211423 [0,0,0,0,0,2|2,0,0]=4 8377 B13R1.337 C=C(C)CCNCC1CCCCC1 2230a_100000210473_100000730704 [0,0,0,0,0,2|2,0,0]=4 8378 B13R1.337 C=C(C)CCNCC1CCCCC1 34a_100000210473_100000730704 [0,0,0,0,0,2|2,0,0]=4 8379 B13R1.337 C=C(C)CCOCC1CCCCC1 34a_100000212181_100000730704 [0,0,0,0,0,2|2,0,0]=4 8380 B13R1.337 C=C(C)CCOCC1CCCCC1 34a_100000764851_100000211423 [0,0,0,0,0,2|2,0,0]=4 8381 B13R1.337 C=C(C)CCOCC1CCCCC1 7a_100000212181_100000730704 [0,0,0,0,0,2|2,0,0]=4 8382 B13R1.337 C=C(C)CCSCC1CCCCC1 62a_100000211423_100000730704 [0,0,0,0,0,2|2,0,0]=4 8383 B13R1.337 C=C(C)CCSCC1CCCCC1 62a_100000730704_100000211423 [0,0,0,0,0,2|2,0,0]=4 8384 B13R1.337 C=C(C)CNCCC1CCCCC1 2230a_100000738074_100000748629 [0,0,0,0,0,2|2,0,0]=4 8385 B13R1.337 C=C(C)CNCCC1CCCCC1 34a_100000738074_100000748629 [0,0,0,0,0,2|2,0,0]=4 8386 B13R1.337 C=C(C)COCCC1CCCCC1 34a_100000210245_100011209188 [0,0,0,0,0,2|2,0,0]=4 8387 B13R1.337 C=C(C)COCCC1CCCCC1 34a_100011217863_100000748629 [0,0,0,0,0,2|2,0,0]=4 8388 B13R1.337 C=C(C)COCCC1CCCCC1 7a_100011217863_100000748629 [0,0,0,0,0,2|2,0,0]=4 8389 B13R1.337 C=C(C)COCOC1CCCCC1 34a_100000210245_100011935260 [0,0,0,0,0,2|2,0,0]=4 8390 B13R1.337 C=C(C)CSCCC1CCCCC1 62a_100000748629_100012355289 [0,0,0,0,0,2|2,0,0]=4 8391 B13R1.337 C=C(C)CSCCC1CCCCC1 62a_100012355289_100000211660 [0,0,0,0,0,2|2,0,0]=4 8392 B13R1.337 C=C(C)CSCOC1CCCCC1 62a_100000748629_100011935260 [0,0,0,0,0,2|2,0,0]=4 8393 B13R1.337 C=C(C)CSCOC1CCCCC1 62a_100011935260_100000211660 [0,0,0,0,0,2|2,0,0]=4 8394 B13R1.337 C=C(F)CNCCC1CCCCC1 2230a_100000738074_100009893438 [0,0,0,0,0,2|2,0,0]=4 8395 B13R1.337 C=C(F)CNCCC1CCCCC1 34a_100000738074_100009893438 [0,0,0,0,0,2|2,0,0]=4 8396 B13R1.337 C=C(F)COCCC1CCCCC1 34a_100011217863_100009893438 [0,0,0,0,0,2|2,0,0]=4 8397 B13R1.337 C=C(F)COCCC1CCCCC1 34a_200010262243_100011209188 [0,0,0,0,0,2|2,0,0]=4 8398 B13R1.337 C=C(F)COCCC1CCCCC1 7a_100011217863_100000042424 [0,0,0,0,0,2|2,0,0]=4 8399 B13R1.337 C=C(F)COCOC1CCCCC1 34a_200010262243_100011935260 [0,0,0,0,0,2|2,0,0]=4 8400 B13R1.337 C=C(F)CSCCC1CCCCC1 62a_100000042424_100012355289 [0,0,0,0,0,2|2,0,0]=4 8401 B13R1.337 C=C(F)CSCCC1CCCCC1 62a_100012355289_100000042424 [0,0,0,0,0,2|2,0,0]=4 8402 B13R1.337 C=C(F)CSCOC1CCCCC1 62a_100000042424_100011935260 [0,0,0,0,0,2|2,0,0]=4 8403 B13R1.337 C=C(F)CSCOC1CCCCC1 62a_100011935260_100000042424 [0,0,0,0,0,2|2,0,0]=4 8404 B13R1.337 CC(=CCCNC1CCCCC1)C 2230a_100000182618_100011217483 [0,0,0,0,0,2|2,0,0]=4 8405 B13R1.337 CC(=CCCNC1CCCCC1)C 34a_100000182618_100011217483 [0,0,0,0,0,2|2,0,0]=4 8406 B13R1.337 CC(=CCCOC1CCCCC1)C 34a_100000210231_100011217483 [0,0,0,0,0,2|2,0,0]=4 8407 B13R1.337 CC(=CCCOC1CCCCC1)C 7a_100000210231_100011217483 [0,0,0,0,0,2|2,0,0]=4 8408 B13R1.337 CC(=CCCSC1CCCCC1)C 62a_100000210327_100011217483 [0,0,0,0,0,2|2,0,0]=4 8409 B13R1.337 CC(=CCCSC1CCCCC1)C 62a_100011217483_100000210327 [0,0,0,0,0,2|2,0,0]=4 8410 B13R1.337 CC(=CCNCC1CCCCC1)C 2230a_100000210473_100000761012 [0,0,0,0,0,2|2,0,0]=4 8411 B13R1.337 CC(=CCNCC1CCCCC1)C 34a_100000210473_100000761012 [0,0,0,0,0,2|2,0,0]=4 8412 B13R1.337 CC(=CCNCC1CCCCC1)C 34a_100000718196_100000211423 [0,0,0,0,0,2|2,0,0]=4 8413 B13R1.337 CC(=CCOCC1CCCCC1)C 34a_100000212181_100000761012 [0,0,0,0,0,2|2,0,0]=4 8414 B13R1.337 CC(=CCOCC1CCCCC1)C 34a_100000753907_100000211423 [0,0,0,0,0,2|2,0,0]=4 8415 B13R1.337 CC(=CCOCC1CCCCC1)C 7a_100000212181_100000761012 [0,0,0,0,0,2|2,0,0]=4 8416 B13R1.337 CC(=CCSCC1CCCCC1)C 62a_100000211423_100000761012 [0,0,0,0,0,2|2,0,0]=4 8417 B13R1.337 CC(=CCSCC1CCCCC1)C 62a_100000761012_100000211423 [0,0,0,0,0,2|2,0,0]=4 8418 B13R1.337 CC(=O)CCCCC1CCCCC1 1458a_200011215547_200000210301 [0,0,0,0,0,2|1,0,0]=3 8419 B13R1.337 CC(=O)CCCCN1CCCCC1 1458a_100000754417_200000210301 [0,0,0,0,0,2|2,0,0]=4 8420 B13R1.337 CC(=O)CCCNC1CCCCC1 34a_100000182618_100000685027 [0,0,0,0,0,2|1,0,0]=3 8421 B13R1.337 CC(=O)CCCNC1CCCOC1 34a_100000719290_100000685027 [0,0,0,0,0,2|2,0,0]=4 8422 B13R1.337 CC(=O)CCCNC1CCOCC1 34a_100000741149_100000685027 [0,0,0,0,0,2|2,0,0]=4 8423 B13R1.337 CC(=O)CCCNC1CCSCC1 34a_100000748639_100000685027 [0,0,0,0,0,2|2,0,0]=4 8424 B13R1.337 CC(=O)CCCOC1CCCCC1 34a_100000210231_100000685027 [0,0,0,0,0,2|1,0,0]=3 8425 B13R1.337 CC(=O)CCCOC1CCCCC1 34a_100000759063_100000210327 [0,0,0,0,0,2|1,0,0]=3 8426 B13R1.337 CC(=O)CCCOC1CCCCC1 7a_100000210231_100011215641 [0,0,0,0,0,2|1,0,0]=3 8427 B13R1.337 CC(=O)CCCOC1CCCCC1 7a_100000759063_100000210327 [0,0,0,0,0,2|1,0,0]=3 8428 B13R1.337 CC(=O)CCCOC1CCCCO1 1458a_100000070787_100000700653 [0,0,0,0,0,2|2,0,0]=4 8429 B13R1.337 CC(=O)CCCOC1CCCCO1 34a_100000033831_100000685027 [0,0,0,0,0,2|2,0,0]=4 8430 B13R1.337 CC(=O)CCCOC1CCCOC1 34a_100000754041_100000685027 [0,0,0,0,0,2|2,0,0]=4 8431 B13R1.337 CC(=O)CCCOC1CCCOC1 34a_100000759063_100000693364 [0,0,0,0,0,2|2,0,0]=4 8432 B13R1.337 CC(=O)CCCOC1CCCOC1 7a_100000759063_100000693364 [0,0,0,0,0,2|2,0,0]=4 8433 B13R1.337 CC(=O)CCCOC1CCCSC1 7a_100015962668_100011215641 [0,0,0,0,0,2|2,0,0]=4 8434 B13R1.337 CC(=O)CCCOC1CCOCC1 34a_100000744328_100000685027 [0,0,0,0,0,2|2,0,0]=4 8435 B13R1.337 CC(=O)CCCOC1CCOCC1 7a_100000759063_100000686592 [0,0,0,0,0,2|2,0,0]=4 8436 B13R1.337 CC(=O)CCCOC1CCSCC1 34a_100000731022_100000685027 [0,0,0,0,0,2|2,0,0]=4 8437 B13R1.337 CC(=O)CCCOC1CCSCC1 34a_100000759063_100000069128 [0,0,0,0,0,2|2,0,0]=4 8438 B13R1.337 CC(=O)CCCOC1CCSCC1 7a_100000731022_100011215641 [0,0,0,0,0,2|2,0,0]=4 8439 B13R1.337 CC(=O)CCCOC1CCSCC1 7a_100000759063_100011500858 [0,0,0,0,0,2|2,0,0]=4 8440 B13R1.337 CC(=O)CCCSC1CCCCC1 62a_100000210327_100011215641 [0,0,0,0,0,2|1,0,0]=3 8441 B13R1.337 CC(=O)CCCSC1CCCCC1 62a_100011215641_100000210327 [0,0,0,0,0,2|1,0,0]=3 8442 B13R1.337 CC(=O)CCCSC1CCCOC1 62a_100011215641_100000693364 [0,0,0,0,0,2|2,0,0]=4 8443 B13R1.337 CC(=O)CCCSC1CCOCC1 62a_100011215641_100011324220 [0,0,0,0,0,2|2,0,0]=4 8444 B13R1.337 CC(=O)CCCSC1CCSCC1 62a_100011215641_100000069128 [0,0,0,0,0,2|2,0,0]=4 8445 B13R1.337 CC(=O)CCOCC1CCCCC1 34a_100000759926_100000211423 [0,0,0,0,0,2|1,0,0]=3 8446 B13R1.337 CC(=O)CCOCC1CCCCC1 7a_100000212181_100000053229 [0,0,0,0,0,2|1,0,0]=3 8447 B13R1.337 CC(=O)CCOCC1CCCCC1 7a_100000759926_100000211423 [0,0,0,0,0,2|1,0,0]=3 8448 B13R1.337 CC(=O)CCOCC1CCCCO1 34a_100000759926_100000211543 [0,0,0,0,0,2|2,0,0]=4 8449 B13R1.337 CC(=O)CCOCC1CCCCO1 7a_100000211370_100000053229 [0,0,0,0,0,2|2,0,0]=4 8450 B13R1.337 CC(=O)CCOCC1CCCCO1 7a_100000759926_100000211543 [0,0,0,0,0,2|2,0,0]=4 8451 B13R1.337 CC(=O)CCOCC1CCCOC1 34a_100000759926_100000741521 [0,0,0,0,0,2|2,0,0]=4 8452 B13R1.337 CC(=O)CCOCC1CCCOC1 7a_100000759926_100000741521 [0,0,0,0,0,2|2,0,0]=4 8453 B13R1.337 CC(=O)CCOCC1CCOCC1 34a_100000759926_100000754603 [0,0,0,0,0,2|2,0,0]=4 8454 B13R1.337 CC(=O)CCOCC1CCOCC1 7a_100000759926_100000754603 [0,0,0,0,0,2|2,0,0]=4 8455 B13R1.337 CC(=O)CCOCC1CCSCC1 7a_100000070558_100000053229 [0,0,0,0,0,2|2,0,0]=4 8456 B13R1.337 CC(=O)CCSCC1CCCCC1 62a_100000053229_100000211423 [0,0,0,0,0,2|1,0,0]=3 8457 B13R1.337 CC(=O)CCSCC1CCCCC1 62a_100000211423_100000053229 [0,0,0,0,0,2|1,0,0]=3 8458 B13R1.337 CC(=O)CCSCC1CCCCO1 62a_100000053229_100000211543 [0,0,0,0,0,2|2,0,0]=4 8459 B13R1.337 CC(=O)CCSCC1CCCCO1 62a_100000211543_100000053229 [0,0,0,0,0,2|2,0,0]=4 8460 B13R1.337 CC(=O)CCSCC1CCCOC1 62a_100000053229_100000741521 [0,0,0,0,0,2|2,0,0]=4 8461 B13R1.337 CC(=O)CCSCC1CCCOC1 62a_100000741521_100000053229 [0,0,0,0,0,2|2,0,0]=4 8462 B13R1.337 CC(=O)CCSCC1CCOCC1 62a_100000053229_100000749018 [0,0,0,0,0,2|2,0,0]=4 8463 B13R1.337 CC(=O)CCSCC1CCOCC1 62a_100000754603_100000053229 [0,0,0,0,0,2|2,0,0]=4 8464 B13R1.337 CC(=O)COCCC1CCCCC1 34a_100000211253_100011209188 [0,0,0,0,0,2|1,0,0]=3 8465 B13R1.337 CC(=O)COCCC1CCOCC1 34a_100000211253_100011934994 [0,0,0,0,0,2|2,0,0]=4 8466 B13R1.337 CC(=O)COCCN1CCCCC1 34a_100000211253_100000739454 [0,0,0,0,0,2|2,0,0]=4 8467 B13R1.337 CC(=O)COCOC1CCCCC1 34a_100000211253_100011935260 [0,0,0,0,0,2|1,0,0]=3 8468 B13R1.337 CC(=O)NCCCC1CCCCC1 11a_100011211642_100015343762 [0,0,0,0,0,2|1,0,0]=3 8469 B13R1.337 CC(=O)NCCCC1CCCCC1 1626a_100011211642_100015343762 [0,0,0,0,0,2|1,0,0]=3 8470 B13R1.337 CC(=O)NCCCC1CCCCC1 240690a_100011211642_100015343762 [0,0,0,0,0,2|1,0,0]=3 8471 B13R1.337 CC(=O)NCCCC1CCCCC1 527a_100011211642_100103153847 [0,0,0,0,0,2|1,0,0]=3 8472 B13R1.337 CC(=O)NCCCN1CCCCC1 240690a_100000204581_100015343762 [0,0,0,0,0,2|2,0,0]=4 8473 B13R1.337 CC(=O)NCCCN1CCCCC1 527a_100000204581_100103153847 [0,0,0,0,0,2|2,0,0]=4 8474 B13R1.337 CC(=O)NCCNC1CCCCC1 2230a_100000182618_100000189650 [0,0,0,0,0,2|1,0,0]=3 8475 B13R1.337 CC(=O)NCCNC1CCCOC1 2230a_100000719290_100000189650 [0,0,0,0,0,2|2,0,0]=4 8476 B13R1.337 CC(=O)NCCNC1CCOCC1 2230a_100000741149_100000189650 [0,0,0,0,0,2|2,0,0]=4 8477 B13R1.337 CC(=O)NCCNC1CCSCC1 2230a_100000748639_100000189650 [0,0,0,0,0,2|2,0,0]=4 8478 B13R1.337 CC(=O)NCCOC1CCCCC1 11a_100015206981_100015343762 [0,0,0,0,0,2|1,0,0]=3 8479 B13R1.337 CC(=O)NCCOC1CCCCC1 1626a_100015206981_100015343762 [0,0,0,0,0,2|1,0,0]=3 8480 B13R1.337 CC(=O)NCCOC1CCCCC1 240690a_100015206981_100015343762 [0,0,0,0,0,2|1,0,0]=3 8481 B13R1.337 CC(=O)NCCOC1CCCCC1 34a_100000158858_100000210327 [0,0,0,0,0,2|1,0,0]=3 8482 B13R1.337 CC(=O)NCCOC1CCCCC1 527a_100015206981_100103153847 [0,0,0,0,0,2|1,0,0]=3 8483 B13R1.337 CC(=O)NCCOC1CCCCC1 7a_100000210231_100000189650 [0,0,0,0,0,2|1,0,0]=3 8484 B13R1.337 CC(=O)NCCOC1CCCOC1 34a_100000158858_100000693364 [0,0,0,0,0,2|2,0,0]=4 8485 B13R1.337 CC(=O)NCCOC1CCCSC1 7a_100015962668_100000189650 [0,0,0,0,0,2|2,0,0]=4 8486 B13R1.337 CC(=O)NCCOC1CCSCC1 34a_100000158858_100000069128 [0,0,0,0,0,2|2,0,0]=4 8487 B13R1.337 CC(=O)NCCOC1CCSCC1 7a_100000731022_100000189650 [0,0,0,0,0,2|2,0,0]=4 8488 B13R1.337 CC(=O)NCCSC1CCCCC1 62a_100000189650_100000210327 [0,0,0,0,0,2|1,0,0]=3 8489 B13R1.337 CC(=O)NCCSC1CCCCC1 62a_100000210327_100000189650 [0,0,0,0,0,2|1,0,0]=3 8490 B13R1.337 CC(=O)NCCSC1CCCOC1 62a_100000189650_100000693364 [0,0,0,0,0,2|2,0,0]=4 8491 B13R1.337 CC(=O)NCCSC1CCOCC1 62a_100000189650_100011324220 [0,0,0,0,0,2|2,0,0]=4 8492 B13R1.337 CC(=O)NCCSC1CCSCC1 62a_100000189650_100000069128 [0,0,0,0,0,2|2,0,0]=4 8493 B13R1.337 CC(=O)NN=CCC1CCCCC1 4a_100000189765_100011713444 [0,0,0,0,0,2|1,0,1]=4 8494 B13R1.337 CC(=O)NNCCN1CCCCC1 22a_100000739400_100000070787 [0,0,0,0,0,2|2,0,0]=4 8495 B13R1.337 CC(=O)OCCNC1CCCCC1 34a_100000182618_100009814007 [0,0,0,0,0,2|1,0,0]=3 8496 B13R1.337 CC(=O)OCCNC1CCCOC1 34a_100000719290_100009814007 [0,0,0,0,0,2|2,0,0]=4 8497 B13R1.337 CC(=O)OCCNC1CCOCC1 34a_100000741149_100009814007 [0,0,0,0,0,2|2,0,0]=4 8498 B13R1.337 CC(=O)OCCNC1CCSCC1 34a_100000748639_100009814007 [0,0,0,0,0,2|2,0,0]=4 8499 B13R1.337 CC(=O)OCCOC1CCCCC1 34a_100000210231_100009814007 [0,0,0,0,0,2|1,0,0]=3 8500 B13R1.337 CC(=O)OCCOC1CCCCC1 7a_100000210231_100009814007 [0,0,0,0,0,2|1,0,0]=3 8501 B13R1.337 CC(=O)OCCOC1CCCCO1 34a_100000033831_100009814007 [0,0,0,0,0,2|2,0,0]=4 8502 B13R1.337 CC(=O)OCCOC1CCCOC1 34a_100000754041_100009814007 [0,0,0,0,0,2|2,0,0]=4 8503 B13R1.337 CC(=O)OCCOC1CCCSC1 7a_100015962668_100009814007 [0,0,0,0,0,2|2,0,0]=4 8504 B13R1.337 CC(=O)OCCOC1CCOCC1 34a_100000744328_100009814007 [0,0,0,0,0,2|2,0,0]=4 8505 B13R1.337 CC(=O)OCCOC1CCSCC1 34a_100000731022_100009814007 [0,0,0,0,0,2|2,0,0]=4 8506 B13R1.337 CC(=O)OCCOC1CCSCC1 7a_100000731022_100009814007 [0,0,0,0,0,2|2,0,0]=4 8507 B13R1.337 CC(=O)OCCSC1CCCCC1 62a_100000210327_100009814007 [0,0,0,0,0,2|1,0,0]=3 8508 B13R1.337 CC(=O)OCCSC1CCCCC1 62a_100009814007_100000210327 [0,0,0,0,0,2|1,0,0]=3 8509 B13R1.337 CC(=O)OCCSC1CCCOC1 62a_100009814007_100000693364 [0,0,0,0,0,2|2,0,0]=4 8510 B13R1.337 CC(=O)OCCSC1CCOCC1 62a_100009814007_100011324220 [0,0,0,0,0,2|2,0,0]=4 8511 B13R1.337 CC(=O)OCCSC1CCSCC1 62a_100009814007_100000069128 [0,0,0,0,0,2|2,0,0]=4 8512 B13R1.337 CC(=O)OCNCC1CCCCC1 34a_100000210473_100009813279 [0,0,0,0,0,2|1,0,0]=3 8513 B13R1.337 CC(=O)OCNCC1CCCCO1 34a_100000174945_100009813279 [0,0,0,0,0,2|2,0,0]=4 8514 B13R1.337 CC(=O)OCNCC1CCCOC1 34a_100000720124_100009813279 [0,0,0,0,0,2|2,0,0]=4 8515 B13R1.337 CC(=O)OCNCC1CCOCC1 34a_100000746373_100009813279 [0,0,0,0,0,2|2,0,0]=4 8516 B13R1.337 CC(=O)OCNCC1CCSCC1 34a_100015188806_100009813279 [0,0,0,0,0,2|2,0,0]=4 8517 B13R1.337 CC(=O)OCOCC1CCCCC1 34a_100000212181_100009813279 [0,0,0,0,0,2|1,0,0]=3 8518 B13R1.337 CC(=O)OCOCC1CCCCN1 34a_100000210821_100009813279 [0,0,0,0,0,2|2,0,0]=4 8519 B13R1.337 CC(=O)OCOCC1CCCCO1 34a_100000211370_100009813279 [0,0,0,0,0,2|2,0,0]=4 8520 B13R1.337 CC(=O)OCOCC1CCCNC1 34a_100000211344_100009813279 [0,0,0,0,0,2|2,0,0]=4 8521 B13R1.337 CC(=O)OCOCC1CCCOC1 34a_100000741520_100009813279 [0,0,0,0,0,2|2,0,0]=4 8522 B13R1.337 CC(=O)OCOCC1CCNCC1 34a_100000738675_100009813279 [0,0,0,0,0,2|2,0,0]=4 8523 B13R1.337 CC(=O)OCOCC1CCOCC1 34a_100000749013_100009813279 [0,0,0,0,0,2|2,0,0]=4 8524 B13R1.337 CC(=O)OCOCC1CCSCC1 34a_100000070558_100009813279 [0,0,0,0,0,2|2,0,0]=4 8525 B13R1.337 CC(=O)OCSCC1CCCCC1 62a_100000076356_100000211423 [0,0,0,0,0,2|1,0,0]=3 8526 B13R1.337 CC(=O)OCSCC1CCCCC1 62a_100000211423_100000076356 [0,0,0,0,0,2|1,0,0]=3 8527 B13R1.337 CC(=O)OCSCC1CCCCO1 62a_100000076356_100000211543 [0,0,0,0,0,2|2,0,0]=4 8528 B13R1.337 CC(=O)OCSCC1CCCCO1 62a_100000211543_100000076356 [0,0,0,0,0,2|2,0,0]=4 8529 B13R1.337 CC(=O)OCSCC1CCCOC1 62a_100000076356_100000741521 [0,0,0,0,0,2|2,0,0]=4 8530 B13R1.337 CC(=O)OCSCC1CCCOC1 62a_100000741521_100000076356 [0,0,0,0,0,2|2,0,0]=4 8531 B13R1.337 CC(=O)OCSCC1CCOCC1 62a_100000076356_100000749018 [0,0,0,0,0,2|2,0,0]=4 8532 B13R1.337 CC(=O)OCSCC1CCOCC1 62a_100000754603_100000076356 [0,0,0,0,0,2|2,0,0]=4 8533 B13R1.337 CC(O)CCCNC1CCCCC1 2230a_100000182618_200000718107 [0,0,0,0,0,2|1,0,1]=4 8534 B13R1.337 CC(O)CCCNC1CCCCC1 34a_100000182618_200000718107 [0,0,0,0,0,2|1,0,1]=4 8535 B13R1.337 CC(O)CCCOC1CCCCC1 34a_100000210231_200000718107 [0,0,0,0,0,2|1,0,1]=4 8536 B13R1.337 CC(O)CCCOC1CCCCC1 7a_100000210231_200000718107 [0,0,0,0,0,2|1,0,1]=4 8537 B13R1.337 CC(O)CCCSC1CCCCC1 62a_100000210327_200000718107 [0,0,0,0,0,2|1,0,1]=4 8538 B13R1.337 CC(O)CCCSC1CCCCC1 62a_200000718107_100000210327 [0,0,0,0,0,2|1,0,1]=4 8539 B13R1.337 CC(O)CCNCC1CCCCC1 2230a_100000210473_100012276601 [0,0,0,0,0,2|1,0,1]=4 8540 B13R1.337 CC(O)CCNCC1CCCCC1 2230a_200000755665_100000211423 [0,0,0,0,0,2|1,0,1]=4 8541 B13R1.337 CC(O)CCNCC1CCCCC1 269862a_200000755665_100000211278 [0,0,0,0,0,2|1,0,1]=4 8542 B13R1.337 CC(O)CCNCC1CCCCC1 34a_100000210473_100012276601 [0,0,0,0,0,2|1,0,1]=4 8543 B13R1.337 CC(O)CCOCC1CCCCC1 34a_100000212181_100012276601 [0,0,0,0,0,2|1,0,1]=4 8544 B13R1.337 CC(O)CCOCC1CCCCC1 7a_100000212181_100012276601 [0,0,0,0,0,2|1,0,1]=4 8545 B13R1.337 CC(O)CCSCC1CCCCC1 62a_100000211423_100012276601 [0,0,0,0,0,2|1,0,1]=4 8546 B13R1.337 CC(O)CCSCC1CCCCC1 62a_100012276601_100000211423 [0,0,0,0,0,2|1,0,1]=4 8547 B13R1.337 CC(O)CNCCC1CCCCC1 2230a_100000210904_100012355289 [0,0,0,0,0,2|1,0,1]=4 8548 B13R1.337 CC(O)CNCCC1CCCCC1 2230a_100000738074_100011218427 [0,0,0,0,0,2|1,0,1]=4 8549 B13R1.337 CC(O)CNCCC1CCCCC1 270004a_100000210904_100011713444 [0,0,0,0,0,2|1,0,1]=4 8550 B13R1.337 CC(O)CNCCC1CCCCC1 34a_100000210904_100011209188 [0,0,0,0,0,2|1,0,1]=4 8551 B13R1.337 CC(O)CNCCC1CCCCC1 34a_100000738074_100011218427 [0,0,0,0,0,2|1,0,1]=4 8552 B13R1.337 CC(O)CNCOC1CCCCC1 2230a_100000210904_100011935260 [0,0,0,0,0,2|1,0,1]=4 8553 B13R1.337 CC(O)CNCOC1CCCCC1 34a_100000210904_100011935260 [0,0,0,0,0,2|1,0,1]=4 8554 B13R1.337 CC(O)COCCC1CCCCC1 34a_100011217863_100011218427 [0,0,0,0,0,2|1,0,1]=4 8555 B13R1.337 CC(O)COCCC1CCCCC1 7a_100011217863_100011218427 [0,0,0,0,0,2|1,0,1]=4 8556 B13R1.337 CC(O)CSCCC1CCCCC1 62a_100011218427_100012355289 [0,0,0,0,0,2|1,0,1]=4 8557 B13R1.337 CC(O)CSCCC1CCCCC1 62a_100012355289_100011218427 [0,0,0,0,0,2|1,0,1]=4 8558 B13R1.337 CC(O)CSCOC1CCCCC1 62a_100011218427_100011935260 [0,0,0,0,0,2|1,0,1]=4 8559 B13R1.337 CC(O)CSCOC1CCCCC1 62a_100011935260_100011218427 [0,0,0,0,0,2|1,0,1]=4 8560 B13R1.337 CS(=O)CCCNC1CCCCC1 270004a_200000753449_100000210434 [0,0,0,0,0,2|2,0,0]=4 8561 B13R1.337 C[C@@H](O)CNCCC1CCCCC1 2230a_100000738074_100009817552 [0,0,0,0,0,2|1,0,1]=4 8562 B13R1.337 C[C@@H](O)CNCCC1CCCCC1 34a_100000738074_100009817552 [0,0,0,0,0,2|1,0,1]=4 8563 B13R1.337 C[C@@H](O)COCCC1CCCCC1 34a_100011217863_100009817552 [0,0,0,0,0,2|1,0,1]=4 8564 B13R1.337 C[C@@H](O)COCCC1CCCCC1 7a_100011217863_100009817552 [0,0,0,0,0,2|1,0,1]=4 8565 B13R1.337 C[C@@H](O)CSCCC1CCCCC1 62a_100009817552_100012355289 [0,0,0,0,0,2|1,0,1]=4 8566 B13R1.337 C[C@@H](O)CSCCC1CCCCC1 62a_100012355289_100009817552 [0,0,0,0,0,2|1,0,1]=4 8567 B13R1.337 C[C@@H](O)CSCOC1CCCCC1 62a_100009817552_100011935260 [0,0,0,0,0,2|1,0,1]=4 8568 B13R1.337 C[C@@H](O)CSCOC1CCCCC1 62a_100011935260_100009817552 [0,0,0,0,0,2|1,0,1]=4 8569 B13R1.337 FC(=CCCNC1CCCCC1)F 2230a_100000182618_200009816681 [0,0,0,0,0,2|2,0,0]=4 8570 B13R1.337 FC(=CCCNC1CCCCC1)F 34a_100000182618_200009816681 [0,0,0,0,0,2|2,0,0]=4 8571 B13R1.337 FC(=CCCOC1CCCCC1)F 34a_100000210231_200009816681 [0,0,0,0,0,2|2,0,0]=4 8572 B13R1.337 FC(=CCCOC1CCCCC1)F 7a_100000210231_200009816681 [0,0,0,0,0,2|2,0,0]=4 8573 B13R1.337 FC(=CCCSC1CCCCC1)F 62a_100000210327_200009816681 [0,0,0,0,0,2|2,0,0]=4 8574 B13R1.337 FC(=CCCSC1CCCCC1)F 62a_200009816681_100000210327 [0,0,0,0,0,2|2,0,0]=4 8575 B13R1.337 NC(=O)CCCNC1CCCCC1 34a_100000182618_100102525003 [0,0,0,0,0,2|1,0,0]=3 8576 B13R1.337 NC(=O)CCCNC1CCCCC1 34a_100000739312_100000210327 [0,0,0,0,0,2|1,0,0]=3 8577 B13R1.337 NC(=O)CCCNC1CCCOC1 34a_100000719290_100102525003 [0,0,0,0,0,2|2,0,0]=4 8578 B13R1.337 NC(=O)CCCNC1CCCOC1 34a_100000739312_100000693364 [0,0,0,0,0,2|2,0,0]=4 8579 B13R1.337 NC(=O)CCCNC1CCOCC1 34a_100000741149_100102525003 [0,0,0,0,0,2|2,0,0]=4 8580 B13R1.337 NC(=O)CCCNC1CCSCC1 34a_100000739312_100000069128 [0,0,0,0,0,2|2,0,0]=4 8581 B13R1.337 NC(=O)CCCNC1CCSCC1 34a_100000748639_100102525003 [0,0,0,0,0,2|2,0,0]=4 8582 B13R1.337 NC(=O)CCCOC1CCCCC1 34a_100000210231_100102525003 [0,0,0,0,0,2|1,0,0]=3 8583 B13R1.337 NC(=O)CCCOC1CCCCC1 7a_100000210231_100102525003 [0,0,0,0,0,2|1,0,0]=3 8584 B13R1.337 NC(=O)CCCOC1CCCCO1 34a_100000033831_100102525003 [0,0,0,0,0,2|2,0,0]=4 8585 B13R1.337 NC(=O)CCCOC1CCCOC1 34a_100000754041_100102525003 [0,0,0,0,0,2|2,0,0]=4 8586 B13R1.337 NC(=O)CCCOC1CCCSC1 7a_100015962668_100102525003 [0,0,0,0,0,2|2,0,0]=4 8587 B13R1.337 NC(=O)CCCOC1CCOCC1 34a_100000744328_100102525003 [0,0,0,0,0,2|2,0,0]=4 8588 B13R1.337 NC(=O)CCCOC1CCSCC1 34a_100000731022_100102525003 [0,0,0,0,0,2|2,0,0]=4 8589 B13R1.337 NC(=O)CCCOC1CCSCC1 7a_100000731022_100102525003 [0,0,0,0,0,2|2,0,0]=4 8590 B13R1.337 NC(=O)CCCSC1CCCCC1 62a_100000210327_100102525003 [0,0,0,0,0,2|1,0,0]=3 8591 B13R1.337 NC(=O)CCCSC1CCCCC1 62a_100102525003_100000210327 [0,0,0,0,0,2|1,0,0]=3 8592 B13R1.337 NC(=O)CCCSC1CCCOC1 62a_100102525003_100000693364 [0,0,0,0,0,2|2,0,0]=4 8593 B13R1.337 NC(=O)CCCSC1CCOCC1 62a_100102525003_100011324220 [0,0,0,0,0,2|2,0,0]=4 8594 B13R1.337 NC(=O)CCCSC1CCSCC1 62a_100102525003_100000069128 [0,0,0,0,0,2|2,0,0]=4 8595 B13R1.337 NC(=O)CCNCC1CCCCC1 2230a_100000210473_100000744528 [0,0,0,0,0,2|1,0,0]=3 8596 B13R1.337 NC(=O)CCNCC1CCCCC1 269862a_100000740010_100000211278 [0,0,0,0,0,2|1,0,0]=3 8597 B13R1.337 NC(=O)CCNCC1CCCCC1 34a_100000210473_100000731001 [0,0,0,0,0,2|1,0,0]=3 8598 B13R1.337 NC(=O)CCNCC1CCCCO1 2230a_100000174945_100000744528 [0,0,0,0,0,2|2,0,0]=4 8599 B13R1.337 NC(=O)CCNCC1CCCCO1 34a_100000174945_100000731001 [0,0,0,0,0,2|2,0,0]=4 8600 B13R1.337 NC(=O)CCNCC1CCCOC1 2230a_100000720124_100000744528 [0,0,0,0,0,2|2,0,0]=4 8601 B13R1.337 NC(=O)CCNCC1CCCOC1 34a_100000720124_100000731001 [0,0,0,0,0,2|2,0,0]=4 8602 B13R1.337 NC(=O)CCNCC1CCOCC1 2230a_100000746373_100000744528 [0,0,0,0,0,2|2,0,0]=4 8603 B13R1.337 NC(=O)CCNCC1CCOCC1 269862a_100000740010_100000749017 [0,0,0,0,0,2|2,0,0]=4 8604 B13R1.337 NC(=O)CCNCC1CCOCC1 34a_100000746373_100000731001 [0,0,0,0,0,2|2,0,0]=4 8605 B13R1.337 NC(=O)CCNCC1CCSCC1 2230a_100015188806_100000744528 [0,0,0,0,0,2|2,0,0]=4 8606 B13R1.337 NC(=O)CCNCC1CCSCC1 269862a_100000740010_100000067145 [0,0,0,0,0,2|2,0,0]=4 8607 B13R1.337 NC(=O)CCNCC1CCSCC1 34a_100015188806_100000731001 [0,0,0,0,0,2|2,0,0]=4 8608 B13R1.337 NC(=O)CCOCC1CCCCC1 34a_100000212181_100000731001 [0,0,0,0,0,2|1,0,0]=3 8609 B13R1.337 NC(=O)CCOCC1CCCCC1 34a_100000757172_100000211423 [0,0,0,0,0,2|1,0,0]=3 8610 B13R1.337 NC(=O)CCOCC1CCCCC1 7a_100000212181_100000744528 [0,0,0,0,0,2|1,0,0]=3 8611 B13R1.337 NC(=O)CCOCC1CCCCC1 7a_100000757172_100000211423 [0,0,0,0,0,2|1,0,0]=3 8612 B13R1.337 NC(=O)CCOCC1CCCCN1 34a_100000210821_100000731001 [0,0,0,0,0,2|2,0,0]=4 8613 B13R1.337 NC(=O)CCOCC1CCCCO1 34a_100000211370_100000731001 [0,0,0,0,0,2|2,0,0]=4 8614 B13R1.337 NC(=O)CCOCC1CCCCO1 34a_100000757172_100000211543 [0,0,0,0,0,2|2,0,0]=4 8615 B13R1.337 NC(=O)CCOCC1CCCCO1 7a_100000211370_100000744528 [0,0,0,0,0,2|2,0,0]=4 8616 B13R1.337 NC(=O)CCOCC1CCCCO1 7a_100000757172_100000211543 [0,0,0,0,0,2|2,0,0]=4 8617 B13R1.337 NC(=O)CCOCC1CCCNC1 34a_100000211344_100000731001 [0,0,0,0,0,2|2,0,0]=4 8618 B13R1.337 NC(=O)CCOCC1CCCOC1 34a_100000741520_100000731001 [0,0,0,0,0,2|2,0,0]=4 8619 B13R1.337 NC(=O)CCOCC1CCCOC1 34a_100000757172_100000741521 [0,0,0,0,0,2|2,0,0]=4 8620 B13R1.337 NC(=O)CCOCC1CCCOC1 7a_100000757172_100000741521 [0,0,0,0,0,2|2,0,0]=4 8621 B13R1.337 NC(=O)CCOCC1CCNCC1 34a_100000738675_100000731001 [0,0,0,0,0,2|2,0,0]=4 8622 B13R1.337 NC(=O)CCOCC1CCOCC1 34a_100000749013_100000731001 [0,0,0,0,0,2|2,0,0]=4 8623 B13R1.337 NC(=O)CCOCC1CCOCC1 34a_100000757172_100000754603 [0,0,0,0,0,2|2,0,0]=4 8624 B13R1.337 NC(=O)CCOCC1CCOCC1 7a_100000757172_100000754603 [0,0,0,0,0,2|2,0,0]=4 8625 B13R1.337 NC(=O)CCOCC1CCSCC1 34a_100000070558_100000731001 [0,0,0,0,0,2|2,0,0]=4 8626 B13R1.337 NC(=O)CCOCC1CCSCC1 7a_100000070558_100000744528 [0,0,0,0,0,2|2,0,0]=4 8627 B13R1.337 NC(=O)CCSCC1CCCCC1 62a_100000211423_100000744528 [0,0,0,0,0,2|1,0,0]=3 8628 B13R1.337 NC(=O)CCSCC1CCCCC1 62a_100000744528_100000211423 [0,0,0,0,0,2|1,0,0]=3 8629 B13R1.337 NC(=O)CCSCC1CCCCO1 62a_100000211543_100000744528 [0,0,0,0,0,2|2,0,0]=4 8630 B13R1.337 NC(=O)CCSCC1CCCCO1 62a_100000744528_100000211543 [0,0,0,0,0,2|2,0,0]=4 8631 B13R1.337 NC(=O)CCSCC1CCCOC1 62a_100000741521_100000744528 [0,0,0,0,0,2|2,0,0]=4 8632 B13R1.337 NC(=O)CCSCC1CCCOC1 62a_100000744528_100000741521 [0,0,0,0,0,2|2,0,0]=4 8633 B13R1.337 NC(=O)CCSCC1CCOCC1 62a_100000744528_100000749018 [0,0,0,0,0,2|2,0,0]=4 8634 B13R1.337 NC(=O)CCSCC1CCOCC1 62a_100000754603_100000744528 [0,0,0,0,0,2|2,0,0]=4 8635 B13R1.337 NC(=O)CNCCC1CCCCC1 2230a_100000711301_100012355289 [0,0,0,0,0,2|1,0,0]=3 8636 B13R1.337 NC(=O)CNCCC1CCCCC1 2230a_100000738074_100000747473 [0,0,0,0,0,2|1,0,0]=3 8637 B13R1.337 NC(=O)CNCCC1CCCCC1 34a_100000738074_100000187820 [0,0,0,0,0,2|1,0,0]=3 8638 B13R1.337 NC(=O)CNCCC1CCCCO1 2230a_100015183643_100000747473 [0,0,0,0,0,2|2,0,0]=4 8639 B13R1.337 NC(=O)CNCCC1CCCCO1 34a_100015183643_100000187820 [0,0,0,0,0,2|2,0,0]=4 8640 B13R1.337 NC(=O)CNCCC1CCOCC1 2230a_100000711301_100011934994 [0,0,0,0,0,2|2,0,0]=4 8641 B13R1.337 NC(=O)CNCCC1CCOCC1 2230a_100000755988_100000747473 [0,0,0,0,0,2|2,0,0]=4 8642 B13R1.337 NC(=O)CNCCC1CCOCC1 34a_100000755988_100000187820 [0,0,0,0,0,2|2,0,0]=4 8643 B13R1.337 NC(=O)CNCCN1CCCCC1 2230a_100000711301_100000739454 [0,0,0,0,0,2|2,0,0]=4 8644 B13R1.337 NC(=O)CNCOC1CCCCC1 2230a_100000711301_100011935260 [0,0,0,0,0,2|1,0,0]=3 8645 B13R1.337 NC(=O)COCCC1CCCCC1 34a_100011217863_100000187820 [0,0,0,0,0,2|1,0,0]=3 8646 B13R1.337 NC(=O)COCCC1CCCCC1 7a_100011217863_100000187820 [0,0,0,0,0,2|1,0,0]=3 8647 B13R1.337 NC(=O)COCCC1CCCCN1 34a_100000211664_100000187820 [0,0,0,0,0,2|2,0,0]=4 8648 B13R1.337 NC(=O)COCCC1CCCNC1 34a_100000752241_100000187820 [0,0,0,0,0,2|2,0,0]=4 8649 B13R1.337 NC(=O)COCCC1CCNCC1 34a_100015190746_100000187820 [0,0,0,0,0,2|2,0,0]=4 8650 B13R1.337 NC(=O)COCCC1CCOCC1 34a_100011933979_100000187820 [0,0,0,0,0,2|2,0,0]=4 8651 B13R1.337 NC(=O)COCCC1CCOCC1 7a_100011933979_100000187820 [0,0,0,0,0,2|2,0,0]=4 8652 B13R1.337 NC(=O)CSCCC1CCCCC1 62a_100000747473_100012355289 [0,0,0,0,0,2|1,0,0]=3 8653 B13R1.337 NC(=O)CSCCC1CCCCC1 62a_100012355289_100000747473 [0,0,0,0,0,2|1,0,0]=3 8654 B13R1.337 NC(=O)CSCCC1CCOCC1 62a_100000747473_100011934994 [0,0,0,0,0,2|2,0,0]=4 8655 B13R1.337 NC(=O)CSCCC1CCOCC1 62a_100011934994_100000747473 [0,0,0,0,0,2|2,0,0]=4 8656 B13R1.337 NC(=O)CSCCN1CCCCC1 62a_100000739454_100000747473 [0,0,0,0,0,2|2,0,0]=4 8657 B13R1.337 NC(=O)CSCCN1CCCCC1 62a_100000747473_100000739454 [0,0,0,0,0,2|2,0,0]=4 8658 B13R1.337 NC(=O)CSCOC1CCCCC1 62a_100000747473_100011935260 [0,0,0,0,0,2|1,0,0]=3 8659 B13R1.337 NC(=O)CSCOC1CCCCC1 62a_100011935260_100000747473 [0,0,0,0,0,2|1,0,0]=3 8660 B13R1.337 NC(=O)NCCNC1CCCCC1 2230a_100000182618_200000034859 [0,0,0,0,0,2|1,0,0]=3 8661 B13R1.337 NC(=O)NCCNC1CCCCC1 34a_100020590234_100000210327 [0,0,0,0,0,2|1,0,0]=3 8662 B13R1.337 NC(=O)NCCNC1CCCOC1 2230a_100000719290_200000034859 [0,0,0,0,0,2|2,0,0]=4 8663 B13R1.337 NC(=O)NCCNC1CCCOC1 34a_100020590234_100000693364 [0,0,0,0,0,2|2,0,0]=4 8664 B13R1.337 NC(=O)NCCNC1CCOCC1 2230a_100000741149_200000034859 [0,0,0,0,0,2|2,0,0]=4 8665 B13R1.337 NC(=O)NCCNC1CCSCC1 2230a_100000748639_200000034859 [0,0,0,0,0,2|2,0,0]=4 8666 B13R1.337 NC(=O)NCCNC1CCSCC1 34a_100020590234_100000069128 [0,0,0,0,0,2|2,0,0]=4 8667 B13R1.337 NC(=O)NCCOC1CCCCC1 34a_100000181757_100000210327 [0,0,0,0,0,2|1,0,0]=3 8668 B13R1.337 NC(=O)NCCOC1CCCCC1 7a_100000210231_200000034859 [0,0,0,0,0,2|1,0,0]=3 8669 B13R1.337 NC(=O)NCCOC1CCCOC1 34a_100000181757_100000693364 [0,0,0,0,0,2|2,0,0]=4 8670 B13R1.337 NC(=O)NCCOC1CCCSC1 7a_100015962668_200000034859 [0,0,0,0,0,2|2,0,0]=4 8671 B13R1.337 NC(=O)NCCOC1CCSCC1 34a_100000181757_100000069128 [0,0,0,0,0,2|2,0,0]=4 8672 B13R1.337 NC(=O)NCCOC1CCSCC1 7a_100000731022_200000034859 [0,0,0,0,0,2|2,0,0]=4 8673 B13R1.337 NC(=O)NCCSC1CCCCC1 62a_100000210327_200000034859 [0,0,0,0,0,2|1,0,0]=3 8674 B13R1.337 NC(=O)NCCSC1CCCCC1 62a_200000034859_100000210327 [0,0,0,0,0,2|1,0,0]=3 8675 B13R1.337 NC(=O)NCCSC1CCCOC1 62a_200000034859_100000693364 [0,0,0,0,0,2|2,0,0]=4 8676 B13R1.337 NC(=O)NCCSC1CCOCC1 62a_200000034859_100011324220 [0,0,0,0,0,2|2,0,0]=4 8677 B13R1.337 NC(=O)NCCSC1CCSCC1 62a_200000034859_100000069128 [0,0,0,0,0,2|2,0,0]=4 8678 B13R1.337 NC(=O)OCCNC1CCCCC1 34a_100000182618_200011214921 [0,0,0,0,0,2|1,0,0]=3 8679 B13R1.337 NC(=O)OCCNC1CCCOC1 34a_100000719290_200011214921 [0,0,0,0,0,2|2,0,0]=4 8680 B13R1.337 NC(=O)OCCNC1CCOCC1 34a_100000741149_200011214921 [0,0,0,0,0,2|2,0,0]=4 8681 B13R1.337 NC(=O)OCCNC1CCSCC1 34a_100000748639_200011214921 [0,0,0,0,0,2|2,0,0]=4 8682 B13R1.337 NC(=O)OCCOC1CCCCC1 34a_100000210231_200011214921 [0,0,0,0,0,2|1,0,0]=3 8683 B13R1.337 NC(=O)OCCOC1CCCCC1 7a_100000210231_200011214921 [0,0,0,0,0,2|1,0,0]=3 8684 B13R1.337 NC(=O)OCCOC1CCCCC1 7a_100000766696_100000210327 [0,0,0,0,0,2|1,0,0]=3 8685 B13R1.337 NC(=O)OCCOC1CCCCO1 34a_100000033831_200011214921 [0,0,0,0,0,2|2,0,0]=4 8686 B13R1.337 NC(=O)OCCOC1CCCOC1 34a_100000754041_200011214921 [0,0,0,0,0,2|2,0,0]=4 8687 B13R1.337 NC(=O)OCCOC1CCCOC1 7a_100000766696_100000693364 [0,0,0,0,0,2|2,0,0]=4 8688 B13R1.337 NC(=O)OCCOC1CCCSC1 7a_100015962668_200011214921 [0,0,0,0,0,2|2,0,0]=4 8689 B13R1.337 NC(=O)OCCOC1CCOCC1 34a_100000744328_200011214921 [0,0,0,0,0,2|2,0,0]=4 8690 B13R1.337 NC(=O)OCCOC1CCOCC1 7a_100000766696_100000686592 [0,0,0,0,0,2|2,0,0]=4 8691 B13R1.337 NC(=O)OCCOC1CCSCC1 34a_100000731022_200011214921 [0,0,0,0,0,2|2,0,0]=4 8692 B13R1.337 NC(=O)OCCOC1CCSCC1 7a_100000731022_200011214921 [0,0,0,0,0,2|2,0,0]=4 8693 B13R1.337 NC(=O)OCCOC1CCSCC1 7a_100000766696_100011500858 [0,0,0,0,0,2|2,0,0]=4 8694 B13R1.337 NC(=O)OCCSC1CCCCC1 62a_100000210327_200011214921 [0,0,0,0,0,2|1,0,0]=3 8695 B13R1.337 NC(=O)OCCSC1CCCCC1 62a_200011214921_100000210327 [0,0,0,0,0,2|1,0,0]=3 8696 B13R1.337 NC(=O)OCCSC1CCCOC1 62a_200011214921_100000693364 [0,0,0,0,0,2|2,0,0]=4 8697 B13R1.337 NC(=O)OCCSC1CCOCC1 62a_200011214921_100011324220 [0,0,0,0,0,2|2,0,0]=4 8698 B13R1.337 NC(=O)OCCSC1CCSCC1 62a_200011214921_100000069128 [0,0,0,0,0,2|2,0,0]=4 8699 B13R1.337 O=C(O)CNCCC1CCCCC1 269956a_100016091260_100011273959 [0,0,0,0,0,2|0,0,0]=2 8700 B13R1.337 O=C(O)CNCCC1CCOCC1 269956a_100016091260_100011934994 [0,0,0,0,0,2|1,0,0]=3 8701 B13R1.337 O=C(O)CNCCC1OCCCO1 269956a_100016091260_100000764188 [0,0,0,0,0,2|2,0,0]=4 8702 B13R1.337 O=C(O)CNCCN1CCCCC1 269956a_100016091260_100000739454 [0,0,0,0,0,2|1,0,0]=3 8703 B13R1.337 O=C(O)CNCCN1CCOCC1 269956a_100016091260_100000753993 [0,0,0,0,0,2|2,0,0]=4 8704 B13R1.337 O=C(O)CNCOC1CCCCC1 269956a_100016091260_100011935260 [0,0,0,0,0,2|0,0,0]=2 8705 B13R1.337 O=C(O)CONCC1CCCCC1 269956a_100000106656_100000211423 [0,0,0,0,0,2|0,0,0]=2 8706 B13R1.337 O=C(O)CONCC1CCCCO1 269956a_100000106656_100000211543 [0,0,0,0,0,2|1,0,0]=3 8707 B13R1.337 O=C(O)CONCC1CCCOC1 269956a_100000106656_100000741521 [0,0,0,0,0,2|1,0,0]=3 8708 B13R1.337 O=C(O)CONCC1CCOCC1 269956a_100000106656_100000754603 [0,0,0,0,0,2|1,0,0]=3 8709 B13R1.337 O=C([O-])CNCCC1CCCCC1 34a_100000738074_100020667443 [0,0,0,0,0,2|0,0,1]=3 8710 B13R1.337 O=C([O-])CNCCC1CCCCO1 34a_100015183643_100020667443 [0,0,0,0,0,2|1,0,1]=4 8711 B13R1.337 O=C([O-])CNCCC1CCOCC1 34a_100000755988_100020667443 [0,0,0,0,0,2|1,0,1]=4 8712 B13R1.337 O=C([O-])COCCC1CCCCC1 34a_100011217863_100020667443 [0,0,0,0,0,2|0,0,1]=3 8713 B13R1.337 O=C([O-])COCCC1CCCCN1 34a_100000211664_100020667443 [0,0,0,0,0,2|1,0,1]=4 8714 B13R1.337 O=C([O-])COCCC1CCCNC1 34a_100000752241_100020667443 [0,0,0,0,0,2|1,0,1]=4 8715 B13R1.337 O=C([O-])COCCC1CCNCC1 34a_100015190746_100020667443 [0,0,0,0,0,2|1,0,1]=4 8716 B13R1.337 O=C([O-])COCCC1CCOCC1 34a_100011933979_100020667443 [0,0,0,0,0,2|1,0,1]=4 8717 B13R1.337 O=C([O-])CSCCC1CCCCC1 62a_100012355289_100020667443 [0,0,0,0,0,2|0,0,1]=3 8718 B13R1.337 O=C([O-])CSCCC1CCCCC1 62a_100020667443_100012355289 [0,0,0,0,0,2|0,0,1]=3 8719 B13R1.337 O=C([O-])CSCCC1CCOCC1 62a_100011934994_100020667443 [0,0,0,0,0,2|1,0,1]=4 8720 B13R1.337 O=C([O-])CSCCC1CCOCC1 62a_100020667443_100011934994 [0,0,0,0,0,2|1,0,1]=4 8721 B13R1.337 O=C([O-])CSCCN1CCCCC1 62a_100000739454_100020667443 [0,0,0,0,0,2|1,0,1]=4 8722 B13R1.337 O=C([O-])CSCCN1CCCCC1 62a_100020667443_100000739454 [0,0,0,0,0,2|1,0,1]=4 8723 B13R1.337 O=C([O-])CSCOC1CCCCC1 62a_100011935260_100020667443 [0,0,0,0,0,2|0,0,1]=3 8724 B13R1.337 O=C([O-])CSCOC1CCCCC1 62a_100020667443_100011935260 [0,0,0,0,0,2|0,0,1]=3 8725 B13R1.337 O=[N+]([O-])CCCOC1CCCCC1 34a_200000037920_100000210327 [0,0,0,0,0,2|1,0,1]=4 8726 B13R1.337 O=[N+]([O-])CNCCC1CCCCC1 34a_100000738074_100000761209 [0,0,0,0,0,2|1,0,1]=4 8727 B13R1.337 O=[N+]([O-])COCCC1CCCCC1 34a_100011217863_100000761209 [0,0,0,0,0,2|1,0,1]=4 8728 B13R1.337 O=[N+]([O-])CSCCC1CCCCC1 62a_100012355289_100000761209 [0,0,0,0,0,2|1,0,1]=4 8729 B13R1.337 O=[N+]([O-])CSCOC1CCCCC1 62a_100011935260_100000761209 [0,0,0,0,0,2|1,0,1]=4 8730 B13R1.337 [13CH3]C(=O)CCCCC1CCCCC1 1458a_200011215547_200025704644 [0,0,0,0,0,2|1,0,0]=3 8731 B13R1.337 [13CH3]C(=O)CCCCN1CCCCC1 1458a_100000754417_200025704644 [0,0,0,0,0,2|2,0,0]=4 8732 B13R1.1988 C=C(Br)CCOC1CCCCCC1 34a_100009813270_100011217769 [0,0,0,0,0,2|2,0,0]=4 8733 B13R1.1988 C=C(C)CCNC1CCCCCC1 2230a_100000210984_100000730704 [0,0,0,0,0,2|2,0,0]=4 8734 B13R1.1988 C=C(C)CCNC1CCCCCC1 34a_100000210984_100000730704 [0,0,0,0,0,2|2,0,0]=4 8735 B13R1.1988 C=C(C)CCOC1CCCCCC1 34a_100000210887_100000730704 [0,0,0,0,0,2|2,0,0]=4 8736 B13R1.1988 C=C(C)CCOC1CCCCCC1 34a_100000764851_100011217769 [0,0,0,0,0,2|2,0,0]=4 8737 B13R1.1988 C=C(C)CCOC1CCCCCC1 7a_100000210887_100000730704 [0,0,0,0,0,2|2,0,0]=4 8738 B13R1.1988 C=C(C)CCSC1CCCCCC1 62a_100000730704_100011217769 [0,0,0,0,0,2|2,0,0]=4 8739 B13R1.1988 C=C(C)CCSC1CCCCCC1 62a_100011217769_100000730704 [0,0,0,0,0,2|2,0,0]=4 8740 B13R1.1988 C=C(C)CNCC1CCCCCC1 2230a_100015204231_100000748629 [0,0,0,0,0,2|2,0,0]=4 8741 B13R1.1988 C=C(C)CNCC1CCCCCC1 34a_100015204231_100000748629 [0,0,0,0,0,2|2,0,0]=4 8742 B13R1.1988 C=C(C)COCC1CCCCCC1 34a_100000210245_200000696569 [0,0,0,0,0,2|2,0,0]=4 8743 B13R1.1988 C=C(C)COCC1CCCCCC1 34a_100000699130_100000748629 [0,0,0,0,0,2|2,0,0]=4 8744 B13R1.1988 C=C(C)COCC1CCCCCC1 7a_100000699130_100000748629 [0,0,0,0,0,2|2,0,0]=4 8745 B13R1.1988 C=C(C)CSCC1CCCCCC1 62a_100000748629_200000696569 [0,0,0,0,0,2|2,0,0]=4 8746 B13R1.1988 C=C(C)CSCC1CCCCCC1 62a_200000696569_100000211660 [0,0,0,0,0,2|2,0,0]=4 8747 B13R1.1988 C=C(F)CNCC1CCCCCC1 2230a_100015204231_100009893438 [0,0,0,0,0,2|2,0,0]=4 8748 B13R1.1988 C=C(F)CNCC1CCCCCC1 34a_100015204231_100009893438 [0,0,0,0,0,2|2,0,0]=4 8749 B13R1.1988 C=C(F)COCC1CCCCCC1 34a_100000699130_100009893438 [0,0,0,0,0,2|2,0,0]=4 8750 B13R1.1988 C=C(F)COCC1CCCCCC1 34a_200010262243_200000696569 [0,0,0,0,0,2|2,0,0]=4 8751 B13R1.1988 C=C(F)COCC1CCCCCC1 7a_100000699130_100000042424 [0,0,0,0,0,2|2,0,0]=4 8752 B13R1.1988 C=C(F)CSCC1CCCCCC1 62a_100000042424_200000696569 [0,0,0,0,0,2|2,0,0]=4 8753 B13R1.1988 C=C(F)CSCC1CCCCCC1 62a_200000696569_100000042424 [0,0,0,0,0,2|2,0,0]=4 8754 B13R1.1988 CC(=O)CCCN1CCCCCC1 269982a_100000185865_100011215641 [0,0,0,0,0,2|2,0,0]=4 8755 B13R1.1988 CC(=O)CCCN1CCCCCC1 34a_100000185865_100000685027 [0,0,0,0,0,2|2,0,0]=4 8756 B13R1.1988 CC(=O)CCCN1CCCOCC1 269982a_100000685342_100011215641 [0,0,0,0,0,2|2,0,0]=4 8757 B13R1.1988 CC(=O)CCCN1CCCOCC1 34a_100000685342_100000685027 [0,0,0,0,0,2|2,0,0]=4 8758 B13R1.1988 CC(=O)CCOC1CCCCCC1 34a_100000759926_100011217769 [0,0,0,0,0,2|1,0,0]=3 8759 B13R1.1988 CC(=O)CCOC1CCCCCC1 7a_100000210887_100000053229 [0,0,0,0,0,2|1,0,0]=3 8760 B13R1.1988 CC(=O)CCSC1CCCCCC1 62a_100000053229_100011217769 [0,0,0,0,0,2|1,0,0]=3 8761 B13R1.1988 CC(=O)CCSC1CCCCCC1 62a_100011217769_100000053229 [0,0,0,0,0,2|1,0,0]=3 8762 B13R1.1988 CC(=O)COCC1CCCCCC1 34a_100000211253_200000696569 [0,0,0,0,0,2|1,0,0]=3 8763 B13R1.1988 CC(=O)NCCC1CCCCCC1 11a_100011532351_100015343762 [0,0,0,0,0,2|1,0,0]=3 8764 B13R1.1988 CC(=O)NCCC1CCCCCC1 1626a_100011532351_100015343762 [0,0,0,0,0,2|1,0,0]=3 8765 B13R1.1988 CC(=O)NCCC1CCCCCC1 240690a_100011532351_100015343762 [0,0,0,0,0,2|1,0,0]=3 8766 B13R1.1988 CC(=O)NCCC1CCCCCC1 527a_100011532351_100103153847 [0,0,0,0,0,2|1,0,0]=3 8767 B13R1.1988 CC(=O)NCCN1CCCCCC1 11a_100000738142_100015343762 [0,0,0,0,0,2|2,0,0]=4 8768 B13R1.1988 CC(=O)NCCN1CCCCCC1 2230a_100000185865_100000189650 [0,0,0,0,0,2|2,0,0]=4 8769 B13R1.1988 CC(=O)NCCN1CCCCCC1 240690a_100000738142_100015343762 [0,0,0,0,0,2|2,0,0]=4 8770 B13R1.1988 CC(=O)NCCN1CCCCCC1 269982a_100000185865_100000189650 [0,0,0,0,0,2|2,0,0]=4 8771 B13R1.1988 CC(=O)NCCN1CCCCCC1 527a_100000738142_100103153847 [0,0,0,0,0,2|2,0,0]=4 8772 B13R1.1988 CC(=O)NCCN1CCCOCC1 2230a_100000685342_100000189650 [0,0,0,0,0,2|2,0,0]=4 8773 B13R1.1988 CC(=O)NCCN1CCCOCC1 269982a_100000685342_100000189650 [0,0,0,0,0,2|2,0,0]=4 8774 B13R1.1988 CC(=O)OCCN1CCCCCC1 269982a_100000185865_100009814007 [0,0,0,0,0,2|2,0,0]=4 8775 B13R1.1988 CC(=O)OCCN1CCCCCC1 34a_100000185865_100009814007 [0,0,0,0,0,2|2,0,0]=4 8776 B13R1.1988 CC(=O)OCCN1CCCOCC1 269982a_100000685342_100009814007 [0,0,0,0,0,2|2,0,0]=4 8777 B13R1.1988 CC(=O)OCCN1CCCOCC1 34a_100000685342_100009814007 [0,0,0,0,0,2|2,0,0]=4 8778 B13R1.1988 CC(=O)OCNC1CCCCCC1 34a_100000210984_100009813279 [0,0,0,0,0,2|2,0,0]=4 8779 B13R1.1988 CC(=O)OCOC1CCCCCC1 34a_100000210887_100009813279 [0,0,0,0,0,2|2,0,0]=4 8780 B13R1.1988 CC(=O)OCSC1CCCCCC1 62a_100000076356_100011217769 [0,0,0,0,0,2|2,0,0]=4 8781 B13R1.1988 CC(=O)OCSC1CCCCCC1 62a_100011217769_100000076356 [0,0,0,0,0,2|2,0,0]=4 8782 B13R1.1988 CC(O)CCNC1CCCCCC1 2230a_100000210984_100012276601 [0,0,0,0,0,2|1,0,1]=4 8783 B13R1.1988 CC(O)CCNC1CCCCCC1 270004a_200000755665_100000210131 [0,0,0,0,0,2|1,0,1]=4 8784 B13R1.1988 CC(O)CCNC1CCCCCC1 34a_100000210984_100012276601 [0,0,0,0,0,2|1,0,1]=4 8785 B13R1.1988 CC(O)CCNC1CCCNCC1 270004a_200000755665_100015187895 [0,0,0,0,0,2|1,0,1]=4 8786 B13R1.1988 CC(O)CCOC1CCCCCC1 34a_100000210887_100012276601 [0,0,0,0,0,2|1,0,1]=4 8787 B13R1.1988 CC(O)CCOC1CCCCCC1 7a_100000210887_100012276601 [0,0,0,0,0,2|1,0,1]=4 8788 B13R1.1988 CC(O)CCSC1CCCCCC1 62a_100011217769_100012276601 [0,0,0,0,0,2|1,0,1]=4 8789 B13R1.1988 CC(O)CCSC1CCCCCC1 62a_100012276601_100011217769 [0,0,0,0,0,2|1,0,1]=4 8790 B13R1.1988 CC(O)CNCC1CCCCCC1 2230a_100000210904_200000696569 [0,0,0,0,0,2|1,0,1]=4 8791 B13R1.1988 CC(O)CNCC1CCCCCC1 2230a_100015204231_100011218427 [0,0,0,0,0,2|1,0,1]=4 8792 B13R1.1988 CC(O)CNCC1CCCCCC1 269862a_100000210904_200000763224 [0,0,0,0,0,2|1,0,1]=4 8793 B13R1.1988 CC(O)CNCC1CCCCCC1 34a_100000210904_200000696569 [0,0,0,0,0,2|1,0,1]=4 8794 B13R1.1988 CC(O)CNCC1CCCCCC1 34a_100015204231_100011218427 [0,0,0,0,0,2|1,0,1]=4 8795 B13R1.1988 CC(O)COCC1CCCCCC1 34a_100000699130_100011218427 [0,0,0,0,0,2|1,0,1]=4 8796 B13R1.1988 CC(O)COCC1CCCCCC1 7a_100000699130_100011218427 [0,0,0,0,0,2|1,0,1]=4 8797 B13R1.1988 CC(O)CSCC1CCCCCC1 62a_100011218427_200000696569 [0,0,0,0,0,2|1,0,1]=4 8798 B13R1.1988 CC(O)CSCC1CCCCCC1 62a_200000696569_100011218427 [0,0,0,0,0,2|1,0,1]=4 8799 B13R1.1988 C[C@@H](O)CNCC1CCCCCC1 2230a_100015204231_100009817552 [0,0,0,0,0,2|1,0,1]=4 8800 B13R1.1988 C[C@@H](O)CNCC1CCCCCC1 34a_100015204231_100009817552 [0,0,0,0,0,2|1,0,1]=4 8801 B13R1.1988 C[C@@H](O)COCC1CCCCCC1 34a_100000699130_100009817552 [0,0,0,0,0,2|1,0,1]=4 8802 B13R1.1988 C[C@@H](O)COCC1CCCCCC1 7a_100000699130_100009817552 [0,0,0,0,0,2|1,0,1]=4 8803 B13R1.1988 C[C@@H](O)CSCC1CCCCCC1 62a_100009817552_200000696569 [0,0,0,0,0,2|1,0,1]=4 8804 B13R1.1988 C[C@@H](O)CSCC1CCCCCC1 62a_200000696569_100009817552 [0,0,0,0,0,2|1,0,1]=4 8805 B13R1.1988 NC(=O)CCCN1CCCCCC1 269982a_100000185865_100102525003 [0,0,0,0,0,2|2,0,0]=4 8806 B13R1.1988 NC(=O)CCCN1CCCCCC1 34a_100000185865_100102525003 [0,0,0,0,0,2|2,0,0]=4 8807 B13R1.1988 NC(=O)CCCN1CCCOCC1 269982a_100000685342_100102525003 [0,0,0,0,0,2|2,0,0]=4 8808 B13R1.1988 NC(=O)CCCN1CCCOCC1 34a_100000685342_100102525003 [0,0,0,0,0,2|2,0,0]=4 8809 B13R1.1988 NC(=O)CCNC1CCCCCC1 2230a_100000210984_100000744528 [0,0,0,0,0,2|1,0,0]=3 8810 B13R1.1988 NC(=O)CCNC1CCCCCC1 34a_100000210984_100000731001 [0,0,0,0,0,2|1,0,0]=3 8811 B13R1.1988 NC(=O)CCOC1CCCCCC1 34a_100000210887_100000731001 [0,0,0,0,0,2|1,0,0]=3 8812 B13R1.1988 NC(=O)CCOC1CCCCCC1 34a_100000757172_100011217769 [0,0,0,0,0,2|1,0,0]=3 8813 B13R1.1988 NC(=O)CCOC1CCCCCC1 7a_100000210887_100000744528 [0,0,0,0,0,2|1,0,0]=3 8814 B13R1.1988 NC(=O)CCSC1CCCCCC1 62a_100000744528_100011217769 [0,0,0,0,0,2|1,0,0]=3 8815 B13R1.1988 NC(=O)CCSC1CCCCCC1 62a_100011217769_100000744528 [0,0,0,0,0,2|1,0,0]=3 8816 B13R1.1988 NC(=O)CNCC1CCCCCC1 2230a_100000711301_200000696569 [0,0,0,0,0,2|1,0,0]=3 8817 B13R1.1988 NC(=O)CNCC1CCCCCC1 2230a_100015204231_100000747473 [0,0,0,0,0,2|1,0,0]=3 8818 B13R1.1988 NC(=O)CNCC1CCCCCC1 34a_100015204231_100000187820 [0,0,0,0,0,2|1,0,0]=3 8819 B13R1.1988 NC(=O)COCC1CCCCCC1 34a_100000699130_100000187820 [0,0,0,0,0,2|1,0,0]=3 8820 B13R1.1988 NC(=O)COCC1CCCCCC1 7a_100000699130_100000187820 [0,0,0,0,0,2|1,0,0]=3 8821 B13R1.1988 NC(=O)COCC1CNCCOC1 34a_100103147999_100000187820 [0,0,0,0,0,2|2,0,0]=4 8822 B13R1.1988 NC(=O)CSCC1CCCCCC1 62a_100000747473_200000696569 [0,0,0,0,0,2|1,0,0]=3 8823 B13R1.1988 NC(=O)CSCC1CCCCCC1 62a_200000696569_100000747473 [0,0,0,0,0,2|1,0,0]=3 8824 B13R1.1988 NC(=O)NCCN1CCCCCC1 2230a_100000185865_200000034859 [0,0,0,0,0,2|2,0,0]=4 8825 B13R1.1988 NC(=O)NCCN1CCCCCC1 269982a_100000185865_200000034859 [0,0,0,0,0,2|2,0,0]=4 8826 B13R1.1988 NC(=O)NCCN1CCCOCC1 2230a_100000685342_200000034859 [0,0,0,0,0,2|2,0,0]=4 8827 B13R1.1988 NC(=O)NCCN1CCCOCC1 269982a_100000685342_200000034859 [0,0,0,0,0,2|2,0,0]=4 8828 B13R1.1988 NC(=O)OCCN1CCCCCC1 269982a_100000185865_200011214921 [0,0,0,0,0,2|2,0,0]=4 8829 B13R1.1988 NC(=O)OCCN1CCCCCC1 34a_100000185865_200011214921 [0,0,0,0,0,2|2,0,0]=4 8830 B13R1.1988 NC(=O)OCCN1CCCOCC1 269982a_100000685342_200011214921 [0,0,0,0,0,2|2,0,0]=4 8831 B13R1.1988 NC(=O)OCCN1CCCOCC1 34a_100000685342_200011214921 [0,0,0,0,0,2|2,0,0]=4 8832 B13R1.1988 O=C(O)CNCC1CCCCCC1 269956a_100016091260_200000696569 [0,0,0,0,0,2|0,0,0]=2 8833 B13R1.1988 O=C(O)CONC1CCCCCC1 269956a_100000106656_100011217769 [0,0,0,0,0,2|1,0,0]=3 8834 B13R1.1988 O=C([O-])CNCC1CCCCCC1 34a_100015204231_100020667443 [0,0,0,0,0,2|0,0,1]=3 8835 B13R1.1988 O=C([O-])COCC1CCCCCC1 34a_100000699130_100020667443 [0,0,0,0,0,2|0,0,1]=3 8836 B13R1.1988 O=C([O-])COCC1CNCCOC1 34a_100103147999_100020667443 [0,0,0,0,0,2|1,0,1]=4 8837 B13R1.1988 O=C([O-])CSCC1CCCCCC1 62a_100020667443_200000696569 [0,0,0,0,0,2|0,0,1]=3 8838 B13R1.1988 O=C([O-])CSCC1CCCCCC1 62a_200000696569_100020667443 [0,0,0,0,0,2|0,0,1]=3 8839 B13R1.1988 O=[N+]([O-])CNCC1CCCCCC1 34a_100015204231_100000761209 [0,0,0,0,0,2|1,0,1]=4 8840 B13R1.1988 O=[N+]([O-])COCC1CCCCCC1 34a_100000699130_100000761209 [0,0,0,0,0,2|1,0,1]=4 8841 B13R1.1988 O=[N+]([O-])CSCC1CCCCCC1 62a_200000696569_100000761209 [0,0,0,0,0,2|1,0,1]=4 8842 B13R1.1022 CC(=O)CCN1CCCCCCC1 1458a_200015187237_200000210301 [0,0,0,0,0,2|2,0,0]=4 8843 B13R1.1022 CC(=O)CCN1CCCCCCC1 269982a_100000211400_100000053229 [0,0,0,0,0,2|2,0,0]=4 8844 B13R1.1022 CC(=O)COC1CC/C=C\CCC1 34a_100000211253_100021000466 [0,0,0,0,0,2|2,0,0]=4 8845 B13R1.1022 CC(=O)NCC1CC/C=C\CCC1 11a_100102730862_100015343762 [0,0,0,0,0,2|2,0,0]=4 8846 B13R1.1022 CC(=O)NCC1CC/C=C\CCC1 1626a_100102730862_100015343762 [0,0,0,0,0,2|2,0,0]=4 8847 B13R1.1022 CC(=O)NCC1CC/C=C\CCC1 240690a_100102730862_100015343762 [0,0,0,0,0,2|2,0,0]=4 8848 B13R1.1022 CC(=O)NCC1CC/C=C\CCC1 527a_100102730862_100103153847 [0,0,0,0,0,2|2,0,0]=4 8849 B13R1.1022 NC(=O)CCN1CCCCCCC1 2230a_100000211400_100000744528 [0,0,0,0,0,2|2,0,0]=4 8850 B13R1.1022 NC(=O)CCN1CCCCCCC1 269982a_100000211400_100000744528 [0,0,0,0,0,2|2,0,0]=4 8851 B13R1.1022 NC(=O)CCN1CCCCCCC1 34a_100000211400_100000731001 [0,0,0,0,0,2|2,0,0]=4 8852 B13R1.1022 NC(=O)CNC1CCCCCCC1 2230a_100000211152_100000747473 [0,0,0,0,0,2|2,0,0]=4 8853 B13R1.1022 NC(=O)CNC1CCCCCCC1 34a_100000211152_100000187820 [0,0,0,0,0,2|2,0,0]=4 8854 B13R1.1022 NC(=O)COC1C=CCCCCC1 34a_100000688657_100000187820 [0,0,0,0,0,2|2,0,0]=4 8855 B13R1.1022 NC(=O)COC1CC/C=C\CCC1 34a_100016989180_100000187820 [0,0,0,0,0,2|2,0,0]=4 8856 B13R1.1022 NC(=O)COC1CCCCCCC1 34a_100000210054_100000187820 [0,0,0,0,0,2|2,0,0]=4 8857 B13R1.1022 NC(=O)COC1CCCCCCC1 7a_100000210054_100000187820 [0,0,0,0,0,2|2,0,0]=4 8858 B13R1.1022 NC(=O)CSC1CC/C=C\CCC1 62a_100000747473_100021000466 [0,0,0,0,0,2|2,0,0]=4 8859 B13R1.1022 NC(=O)CSC1CC/C=C\CCC1 62a_100021000466_100000747473 [0,0,0,0,0,2|2,0,0]=4 8860 B13R1.1022 O=C(O)CNC1CC/C=C\CCC1 269956a_100016091260_100021000466 [0,0,0,0,0,2|1,0,0]=3 8861 B13R1.1022 O=C([O-])CNC1CCCCCCC1 34a_100000211152_100020667443 [0,0,0,0,0,2|1,0,1]=4 8862 B13R1.1022 O=C([O-])COC1C=CCCCCC1 34a_100000688657_100020667443 [0,0,0,0,0,2|1,0,1]=4 8863 B13R1.1022 O=C([O-])COC1CC/C=C\CCC1 34a_100016989180_100020667443 [0,0,0,0,0,2|1,0,1]=4 8864 B13R1.1022 O=C([O-])COC1CCCCCCC1 34a_100000210054_100020667443 [0,0,0,0,0,2|1,0,1]=4 8865 B13R1.1022 O=C([O-])CSC1CC/C=C\CCC1 62a_100020667443_100021000466 [0,0,0,0,0,2|1,0,1]=4 8866 B13R1.1022 O=C([O-])CSC1CC/C=C\CCC1 62a_100021000466_100020667443 [0,0,0,0,0,2|1,0,1]=4 8867 B13R1.1022 [13CH3]C(=O)CCN1CCCCCCC1 1458a_200015187237_200025704644 [0,0,0,0,0,2|2,0,0]=4