0 B10R0.6 C#CCCCC(=O)CC(C)C 1458a_100000210554_100000731252 [0,0,0,0,0,0|1,0,2]=3 1 B10R0.6 C#CCCCC(=O)CC(C)C 1458a_100000690238_100000210624 [0,0,0,0,0,0|1,0,2]=3 2 B10R0.6 C#CCCCC(=O)CC(C)O 1458a_100000690238_100011218427 [0,0,0,0,0,0|2,0,2]=4 3 B10R0.6 C#CCCCC(=O)CN(C)C 1458a_100000750896_100000731252 [0,0,0,0,0,0|2,0,2]=4 4 B10R0.6 C#CCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000731252 [0,0,0,0,0,0|2,0,2]=4 5 B10R0.6 C#CCCCC(=O)C[S+](C)C 1458a_200159257847_100000731252 [0,0,0,0,0,0|2,0,2]=4 6 B10R0.6 C#CCCCC(=O)NC(C)C 11a_100138425928_100000690238 [0,0,0,0,0,0|2,0,2]=4 7 B10R0.6 C#CCCCC(=O)NC(C)C 1626a_100138425928_100000690238 [0,0,0,0,0,0|2,0,2]=4 8 B10R0.6 C#CCCCC(=O)NC(C)C 240690a_100138425928_100000690238 [0,0,0,0,0,0|2,0,2]=4 9 B10R0.6 C#CCCCC(=O)NC(C)C 527a_100138425928_100000690238 [0,0,0,0,0,0|2,0,2]=4 10 B10R0.6 C#CCCNC(=O)CC(C)C 11a_100000755551_100000210554 [0,0,0,0,0,0|1,0,2]=3 11 B10R0.6 C#CCCNC(=O)CC(C)C 1626a_100000755551_100000210554 [0,0,0,0,0,0|1,0,2]=3 12 B10R0.6 C#CCCNC(=O)CC(C)C 240690a_100000755551_100000210554 [0,0,0,0,0,0|1,0,2]=3 13 B10R0.6 C#CCCNC(=O)CC(C)C 527a_100000755551_100000210554 [0,0,0,0,0,0|1,0,2]=3 14 B10R0.6 C#CCCNC(=O)CN(C)C 11a_100000755551_100000750896 [0,0,0,0,0,0|2,0,2]=4 15 B10R0.6 C#CCCNC(=O)CN(C)C 240690a_100000755551_100000750896 [0,0,0,0,0,0|2,0,2]=4 16 B10R0.6 C#CCCNC(=O)CN(C)C 527a_100000755551_100000750896 [0,0,0,0,0,0|2,0,2]=4 17 B10R0.6 C#CCCNC(=O)C[C@@H](C)O 240690a_100000755551_100011933948 [0,0,0,0,0,0|2,0,2]=4 18 B10R0.6 C#CCCNC(=O)C[S+](C)C 11a_100000755551_200159257847 [0,0,0,0,0,0|2,0,2]=4 19 B10R0.6 C#CCCNC(=O)C[S+](C)C 1626a_100000755551_200159257847 [0,0,0,0,0,0|2,0,2]=4 20 B10R0.6 C#CCCNC(=O)C[S+](C)C 240690a_100000755551_200159257847 [0,0,0,0,0,0|2,0,2]=4 21 B10R0.6 C#CCCNC(=O)C[S+](C)C 527a_100000755551_200159257847 [0,0,0,0,0,0|2,0,2]=4 22 B10R0.6 C#CCCNC(=O)NC(C)C 2708a_100000755551_100138425928 [0,0,0,0,0,0|2,0,2]=4 23 B10R0.6 C#CCCNC(=O)NC(C)C 2708a_100138425928_100000755551 [0,0,0,0,0,0|2,0,2]=4 24 B10R0.6 C#CCCNC(=O)NC(C)C 273464a_100138425928_100000755551 [0,0,0,0,0,0|2,0,2]=4 25 B10R0.6 C#CCCNC(=O)NC(C)C 512a_100000755551_100138425928 [0,0,0,0,0,0|2,0,2]=4 26 B10R0.6 C#CCCNC(=O)NC(C)C 512a_100138425928_100000755551 [0,0,0,0,0,0|2,0,2]=4 27 B10R0.6 C#CCCOC(C)CC(C)C 34a_100000211805_100000688953 [0,0,0,0,0,0|1,0,3]=4 28 B10R0.6 C#CCCOC(C)CC(C)C 34a_100011215631_100000731052 [0,0,0,0,0,0|1,0,3]=4 29 B10R0.6 C#CCCOC(C)CC(C)C 7a_100000211805_100000688953 [0,0,0,0,0,0|1,0,3]=4 30 B10R0.6 C#CCOCC(=O)CC(C)C 1458a_100011251226_100000210624 [0,0,0,0,0,0|2,0,2]=4 31 B10R0.6 C/C=C/C=CC(=O)CC(C)C 1458a_100000185730_100000210624 [0,0,0,0,0,0|1,0,3]=4 32 B10R0.6 C/C=C/COC(C)CC(C)C 34a_100000211805_100102629194 [0,0,0,0,0,0|1,0,3]=4 33 B10R0.6 C/C=C/COC(C)CC(C)C 34a_100016270725_100000731052 [0,0,0,0,0,0|1,0,3]=4 34 B10R0.6 C/C=C/COC(C)CC(C)C 7a_100000211805_100102629194 [0,0,0,0,0,0|1,0,3]=4 35 B10R0.6 C=C(C)CC(=O)C#CCCC 1458a_200011218047_100000748629 [0,0,0,0,0,0|1,0,3]=4 36 B10R0.6 C=C(C)CC(=O)C=CCCC 1458a_100000212230_100000748629 [0,0,0,0,0,0|1,0,3]=4 37 B10R0.6 C=C(C)CC(=O)CCCCC 1458a_100000212188_100000748629 [0,0,0,0,0,0|1,0,2]=3 38 B10R0.6 C=C(C)CC(=O)CCCCO 1458a_100000695505_100000748629 [0,0,0,0,0,0|2,0,2]=4 39 B10R0.6 C=C(C)CC(=O)CCCOC 1458a_100000741012_100000748629 [0,0,0,0,0,0|2,0,2]=4 40 B10R0.6 C=C(C)CC(=O)CCCSC 1458a_100000173376_100000748629 [0,0,0,0,0,0|2,0,2]=4 41 B10R0.6 C=C(C)CC(=O)CCOCC 1458a_100000749530_100000748629 [0,0,0,0,0,0|2,0,2]=4 42 B10R0.6 C=C(C)CC(=O)CCSCC 1458a_100000230768_100000748629 [0,0,0,0,0,0|2,0,2]=4 43 B10R0.6 C=C(C)CC(=O)COCCC 1458a_100000745993_100000748629 [0,0,0,0,0,0|2,0,2]=4 44 B10R0.6 C=C(C)CC(=O)CSCCC 1458a_100000217233_100000748629 [0,0,0,0,0,0|2,0,2]=4 45 B10R0.6 C=C(F)CC(=O)CCCCC 1458a_100000212188_100009893438 [0,0,0,0,0,0|2,0,2]=4 46 B10R0.6 C=CCCCC(=O)CC(C)C 1458a_100000210554_100000757094 [0,0,0,0,0,0|1,0,2]=3 47 B10R0.6 C=CCCCC(=O)CC(C)C 1458a_100000766728_100000210624 [0,0,0,0,0,0|1,0,2]=3 48 B10R0.6 C=CCCCC(=O)CC(C)O 1458a_100000766728_100011218427 [0,0,0,0,0,0|2,0,2]=4 49 B10R0.6 C=CCCCC(=O)CN(C)C 1458a_100000750896_100000757094 [0,0,0,0,0,0|2,0,2]=4 50 B10R0.6 C=CCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000757094 [0,0,0,0,0,0|2,0,2]=4 51 B10R0.6 C=CCCCC(=O)C[S+](C)C 1458a_200159257847_100000757094 [0,0,0,0,0,0|2,0,2]=4 52 B10R0.6 C=CCCCC(=O)NC(C)C 11a_100138425928_100000766728 [0,0,0,0,0,0|2,0,2]=4 53 B10R0.6 C=CCCCC(=O)NC(C)C 1626a_100138425928_100000766728 [0,0,0,0,0,0|2,0,2]=4 54 B10R0.6 C=CCCCC(=O)NC(C)C 240690a_100138425928_100000766728 [0,0,0,0,0,0|2,0,2]=4 55 B10R0.6 C=CCCCC(=O)NC(C)C 527a_100138425928_100000766728 [0,0,0,0,0,0|2,0,2]=4 56 B10R0.6 C=CCCNC(=O)CC(C)C 11a_100015191253_100000210554 [0,0,0,0,0,0|1,0,2]=3 57 B10R0.6 C=CCCNC(=O)CC(C)C 1626a_100015191253_100000210554 [0,0,0,0,0,0|1,0,2]=3 58 B10R0.6 C=CCCNC(=O)CC(C)C 240690a_100015191253_100000210554 [0,0,0,0,0,0|1,0,2]=3 59 B10R0.6 C=CCCNC(=O)CC(C)C 527a_100015191253_100000210554 [0,0,0,0,0,0|1,0,2]=3 60 B10R0.6 C=CCCNC(=O)CN(C)C 11a_100015191253_100000750896 [0,0,0,0,0,0|2,0,2]=4 61 B10R0.6 C=CCCNC(=O)CN(C)C 240690a_100015191253_100000750896 [0,0,0,0,0,0|2,0,2]=4 62 B10R0.6 C=CCCNC(=O)CN(C)C 527a_100015191253_100000750896 [0,0,0,0,0,0|2,0,2]=4 63 B10R0.6 C=CCCNC(=O)C[C@@H](C)O 240690a_100015191253_100011933948 [0,0,0,0,0,0|2,0,2]=4 64 B10R0.6 C=CCCNC(=O)C[S+](C)C 11a_100015191253_200159257847 [0,0,0,0,0,0|2,0,2]=4 65 B10R0.6 C=CCCNC(=O)C[S+](C)C 1626a_100015191253_200159257847 [0,0,0,0,0,0|2,0,2]=4 66 B10R0.6 C=CCCNC(=O)C[S+](C)C 240690a_100015191253_200159257847 [0,0,0,0,0,0|2,0,2]=4 67 B10R0.6 C=CCCNC(=O)C[S+](C)C 527a_100015191253_200159257847 [0,0,0,0,0,0|2,0,2]=4 68 B10R0.6 C=CCCNC(=O)NC(C)C 2708a_100015191253_100138425928 [0,0,0,0,0,0|2,0,2]=4 69 B10R0.6 C=CCCNC(=O)NC(C)C 2708a_100138425928_100015191253 [0,0,0,0,0,0|2,0,2]=4 70 B10R0.6 C=CCCNC(=O)NC(C)C 273464a_100138425928_100015191253 [0,0,0,0,0,0|2,0,2]=4 71 B10R0.6 C=CCCNC(=O)NC(C)C 512a_100015191253_100138425928 [0,0,0,0,0,0|2,0,2]=4 72 B10R0.6 C=CCCNC(=O)NC(C)C 512a_100138425928_100015191253 [0,0,0,0,0,0|2,0,2]=4 73 B10R0.6 C=CCCOC(C)CC(C)C 34a_100000211805_100000754431 [0,0,0,0,0,0|1,0,3]=4 74 B10R0.6 C=CCCOC(C)CC(C)C 34a_100011205117_100000731052 [0,0,0,0,0,0|1,0,3]=4 75 B10R0.6 C=CCCOC(C)CC(C)C 7a_100000211805_100000754431 [0,0,0,0,0,0|1,0,3]=4 76 B10R0.6 C=CCNNC(=O)CC(C)C 22a_100020588587_100000210554 [0,0,0,0,0,0|2,0,2]=4 77 B10R0.6 C=CCSCC(=O)CC(C)C 1458a_100000230395_100000210624 [0,0,0,0,0,0|2,0,2]=4 78 B10R0.6 C=COCCC(=O)CC(C)C 1458a_100000210554_100000039644 [0,0,0,0,0,0|2,0,2]=4 79 B10R0.6 CC#CCNC(=O)CC(C)C 11a_100000685387_100000210554 [0,0,0,0,0,0|1,0,2]=3 80 B10R0.6 CC#CCNC(=O)CC(C)C 1626a_100000685387_100000210554 [0,0,0,0,0,0|1,0,2]=3 81 B10R0.6 CC#CCNC(=O)CC(C)C 527a_100000685387_100000210554 [0,0,0,0,0,0|1,0,2]=3 82 B10R0.6 CC#CCNC(=O)CN(C)C 11a_100000685387_100000750896 [0,0,0,0,0,0|2,0,2]=4 83 B10R0.6 CC#CCNC(=O)CN(C)C 527a_100000685387_100000750896 [0,0,0,0,0,0|2,0,2]=4 84 B10R0.6 CC#CCNC(=O)C[S+](C)C 11a_100000685387_200159257847 [0,0,0,0,0,0|2,0,2]=4 85 B10R0.6 CC#CCNC(=O)C[S+](C)C 1626a_100000685387_200159257847 [0,0,0,0,0,0|2,0,2]=4 86 B10R0.6 CC#CCNC(=O)C[S+](C)C 527a_100000685387_200159257847 [0,0,0,0,0,0|2,0,2]=4 87 B10R0.6 CC#CCNC(=O)NC(C)C 2708a_100138425928_100000685387 [0,0,0,0,0,0|2,0,2]=4 88 B10R0.6 CC#CCNC(=O)NC(C)C 273464a_100138425928_100000685387 [0,0,0,0,0,0|2,0,2]=4 89 B10R0.6 CC#CCNC(=O)NC(C)C 512a_100000685387_100138425928 [0,0,0,0,0,0|2,0,2]=4 90 B10R0.6 CC#CCNC(=O)NC(C)C 512a_100138425928_100000685387 [0,0,0,0,0,0|2,0,2]=4 91 B10R0.6 CC#CCOC(C)CC(C)C 34a_100000211805_100000748600 [0,0,0,0,0,0|1,0,3]=4 92 B10R0.6 CC#CCOC(C)CC(C)C 34a_100000761923_100000731052 [0,0,0,0,0,0|1,0,3]=4 93 B10R0.6 CC#CCOC(C)CC(C)C 7a_100000211805_100000748600 [0,0,0,0,0,0|1,0,3]=4 94 B10R0.6 CC(=CC(=O)CCCCF)C 1458a_100000211388_100000729493 [0,0,0,0,0,0|2,0,2]=4 95 B10R0.6 CC(=CC(=O)CCCCO)C 1458a_100000211388_100000210776 [0,0,0,0,0,0|2,0,2]=4 96 B10R0.6 CC(=CC(=O)NCCCF)C 11a_100015189416_100000211388 [0,0,0,0,0,0|2,0,2]=4 97 B10R0.6 CC(=CC(=O)NCCCF)C 1626a_100015189416_100000211388 [0,0,0,0,0,0|2,0,2]=4 98 B10R0.6 CC(=CC(=O)NCCCF)C 240690a_100015189416_100000211388 [0,0,0,0,0,0|2,0,2]=4 99 B10R0.6 CC(=CC(=O)NCCCO)C 240690a_100000182051_100000211388 [0,0,0,0,0,0|2,0,2]=4 100 B10R0.6 CC(=O)CC(=O)OCCS[13CH3] 62a_100000102702_200025704644 [0,0,0,0,0,0|2,0,1]=3 101 B10R0.6 CC(=O)CC(=O)OCCS[13CH3] 62a_200025704644_100000102702 [0,0,0,0,0,0|2,0,1]=3 102 B10R0.6 CC(C)CC(=O)CC#CCO 1458a_100000210554_200000047223 [0,0,0,0,0,0|2,0,2]=4 103 B10R0.6 CC(C)CC(=O)CCCC#N 1458a_100000075515_100000210624 [0,0,0,0,0,0|2,0,1]=3 104 B10R0.6 CC(C)CC(=O)CCCC#N 1458a_100000210554_100000211468 [0,0,0,0,0,0|2,0,1]=3 105 B10R0.6 CC(C)CC(=O)CCCCF 1458a_100000210554_100000729493 [0,0,0,0,0,0|2,0,0]=2 106 B10R0.6 CC(C)CC(=O)CCCCO 1458a_100000210554_100000210776 [0,0,0,0,0,0|2,0,0]=2 107 B10R0.6 CC(C)CC(=O)CCCCO 1458a_100000695505_100000210624 [0,0,0,0,0,0|2,0,0]=2 108 B10R0.6 CC(C)CC(=O)CCN=[N+]=[N-] 1458a_100000688302_100000210624 [0,0,0,0,0,0|4,0,0]=4 109 B10R0.6 CC(C)CC(=O)COCCO 1458a_100000708028_100000210624 [0,0,0,0,0,0|3,0,0]=3 110 B10R0.6 CC(C)CC(=O)CSCC#N 1458a_100000150266_100000210624 [0,0,0,0,0,0|3,0,1]=4 111 B10R0.6 CC(C)CC(=O)NCCC#N 11a_100000720768_100000210554 [0,0,0,0,0,0|2,0,1]=3 112 B10R0.6 CC(C)CC(=O)NCCC#N 1626a_100000720768_100000210554 [0,0,0,0,0,0|2,0,1]=3 113 B10R0.6 CC(C)CC(=O)NCCC#N 240690a_100000720768_100000210554 [0,0,0,0,0,0|2,0,1]=3 114 B10R0.6 CC(C)CC(=O)NCCC#N 527a_100000720768_100000210554 [0,0,0,0,0,0|2,0,1]=3 115 B10R0.6 CC(C)CC(=O)NCCCF 11a_100015189416_100000210554 [0,0,0,0,0,0|2,0,0]=2 116 B10R0.6 CC(C)CC(=O)NCCCF 1626a_100015189416_100000210554 [0,0,0,0,0,0|2,0,0]=2 117 B10R0.6 CC(C)CC(=O)NCCCF 240690a_100015189416_100000210554 [0,0,0,0,0,0|2,0,0]=2 118 B10R0.6 CC(C)CC(=O)NCCCF 527a_100015189416_100000210554 [0,0,0,0,0,0|2,0,0]=2 119 B10R0.6 CC(C)CC(=O)NCCCO 240690a_100000182051_100000210554 [0,0,0,0,0,0|2,0,0]=2 120 B10R0.6 CC(C)CC(=O)NCCCO 527a_100000182051_100000210554 [0,0,0,0,0,0|2,0,0]=2 121 B10R0.6 CC(C)CC(=O)NNCCO 22a_100000210001_100000210554 [0,0,0,0,0,0|3,0,0]=3 122 B10R0.6 CC(C)CC(C)NCCCF 2230a_100000692259_100011934791 [0,0,0,0,0,0|3,0,1]=4 123 B10R0.6 CC(C)CC(C)NCCCF 2230a_100015189416_100000731052 [0,0,0,0,0,0|3,0,1]=4 124 B10R0.6 CC(C)CC(C)NCCCF 34a_100015189416_100000731052 [0,0,0,0,0,0|3,0,1]=4 125 B10R0.6 CC(C)CC(C)NCCCO 2230a_100000692259_100000230001 [0,0,0,0,0,0|3,0,1]=4 126 B10R0.6 CC(C)CC(C)OCCC#N 7a_100000211805_100000184422 [0,0,0,0,0,0|2,0,2]=4 127 B10R0.6 CC(C)CC(C)OCCCBr 34a_100011217188_100000731052 [0,0,0,0,0,0|2,0,1]=3 128 B10R0.6 CC(C)CC(C)OCCCCl 34a_100000230001_100000731052 [0,0,0,0,0,0|2,0,1]=3 129 B10R0.6 CC(C)CC(C)OCCCF 34a_100000211805_100011934791 [0,0,0,0,0,0|2,0,1]=3 130 B10R0.6 CC(C)CC(C)OCCCF 34a_100000759539_100000731052 [0,0,0,0,0,0|2,0,1]=3 131 B10R0.6 CC(C)CC(C)OCCCF 7a_100000211805_100011934791 [0,0,0,0,0,0|2,0,1]=3 132 B10R0.6 CC(C)CC(C)OCCCN 34a_100000182051_100000731052 [0,0,0,0,0,0|2,0,1]=3 133 B10R0.6 CC(C)CC(C)OCCCO 34a_100000211805_100000230001 [0,0,0,0,0,0|2,0,1]=3 134 B10R0.6 CC(C)CC(C)OCCCO 7a_100000211805_100011215043 [0,0,0,0,0,0|2,0,1]=3 135 B10R0.6 CC(C)CC(C)OCCON 34a_100000700252_100000731052 [0,0,0,0,0,0|3,0,1]=4 136 B10R0.6 CC(C)CC(C)SCCCF 62a_100000731052_100011934791 [0,0,0,0,0,0|2,1,1]=4 137 B10R0.6 CC(C)CC(C)SCCCF 62a_100011934791_100000731052 [0,0,0,0,0,0|2,1,1]=4 138 B10R0.6 CC(C)CC(C)SCCCO 62a_100000731052_100011215043 [0,0,0,0,0,0|2,1,1]=4 139 B10R0.6 CC(C)CC(C)SCCCO 62a_100011215043_100000731052 [0,0,0,0,0,0|2,1,1]=4 140 B10R0.6 CC(C)CN(C)CCCCF 2230a_100000747067_100000729493 [0,0,0,0,0,0|4,0,0]=4 141 B10R0.6 CC(C)CN(C)CCCCF 269982a_100000747067_100000729493 [0,0,0,0,0,0|4,0,0]=4 142 B10R0.6 CC(C)CN(C)CCCCO 2230a_100000717598_100000210760 [0,0,0,0,0,0|4,0,0]=4 143 B10R0.6 CC(C)CN(C)CCCCO 2230a_100000747067_100000210776 [0,0,0,0,0,0|4,0,0]=4 144 B10R0.6 CC(C)CN(C)CCCCO 269982a_100000717598_100000210624 [0,0,0,0,0,0|4,0,0]=4 145 B10R0.6 CC(C)CN(C)CCCCO 269982a_100000747067_100000210776 [0,0,0,0,0,0|4,0,0]=4 146 B10R0.6 CC(C)CN(C)CCCCO 270004a_100000717598_100000210432 [0,0,0,0,0,0|4,0,0]=4 147 B10R0.6 CC(C)NC(=O)CCCC#N 11a_100138425928_100000075515 [0,0,0,0,0,0|3,0,1]=4 148 B10R0.6 CC(C)NC(=O)CCCC#N 1626a_100138425928_100000075515 [0,0,0,0,0,0|3,0,1]=4 149 B10R0.6 CC(C)NC(=O)CCCC#N 240690a_100138425928_100000075515 [0,0,0,0,0,0|3,0,1]=4 150 B10R0.6 CC(C)NC(=O)CCCC#N 527a_100138425928_100000075515 [0,0,0,0,0,0|3,0,1]=4 151 B10R0.6 CC(C)NC(=O)CCCCO 1626a_100138425928_100000695505 [0,0,0,0,0,0|3,0,0]=3 152 B10R0.6 CC(C)NC(=O)CCSCF 62a_100000737564_100015361967 [0,0,0,0,0,0|4,0,0]=4 153 B10R0.6 CC(C)NC(=O)CCSCF 62a_100015361967_100000737564 [0,0,0,0,0,0|4,0,0]=4 154 B10R0.6 CC(C)NC(=O)CNCCF 2230a_100000168517_100011217306 [0,0,0,0,0,0|4,0,0]=4 155 B10R0.6 CC(C)NC(=O)CNCCF 34a_100000724931_100000183996 [0,0,0,0,0,0|4,0,0]=4 156 B10R0.6 CC(C)NC(=O)CNCCO 2230a_100000168517_100000211926 [0,0,0,0,0,0|4,0,0]=4 157 B10R0.6 CC(C)NC(=O)CNCCO 2230a_100016997473_100000183996 [0,0,0,0,0,0|4,0,0]=4 158 B10R0.6 CC(C)NC(=O)CNCCO 34a_100016990907_100000183996 [0,0,0,0,0,0|4,0,0]=4 159 B10R0.6 CC(C)NC(=O)COCCBr 34a_100000211926_100000183996 [0,0,0,0,0,0|4,0,0]=4 160 B10R0.6 CC(C)NC(=O)COCCN 34a_100000210304_100000183996 [0,0,0,0,0,0|4,0,0]=4 161 B10R0.6 CC(C)NC(=O)COCCO 1626a_100138425928_100000708028 [0,0,0,0,0,0|4,0,0]=4 162 B10R0.6 CC(C)NC(=O)COCCO 240690a_100138425928_100000708028 [0,0,0,0,0,0|4,0,0]=4 163 B10R0.6 CC(C)NC(=O)CSCCF 62a_100000183996_100011217306 [0,0,0,0,0,0|4,0,0]=4 164 B10R0.6 CC(C)NC(=O)CSCCF 62a_100011217306_100000183996 [0,0,0,0,0,0|4,0,0]=4 165 B10R0.6 CC(C)NC(=O)CSCCO 62a_100000183996_100000211926 [0,0,0,0,0,0|4,0,0]=4 166 B10R0.6 CC(C)NC(=O)CSCCO 62a_100000211926_100000183996 [0,0,0,0,0,0|4,0,0]=4 167 B10R0.6 CC(C)NC(=O)NCCC#N 2708a_100000720768_100138425928 [0,0,0,0,0,0|3,0,1]=4 168 B10R0.6 CC(C)NC(=O)NCCC#N 2708a_100138425928_100000720768 [0,0,0,0,0,0|3,0,1]=4 169 B10R0.6 CC(C)NC(=O)NCCC#N 273464a_100138425928_100000720768 [0,0,0,0,0,0|3,0,1]=4 170 B10R0.6 CC(C)NC(=O)NCCC#N 512a_100000720768_100138425928 [0,0,0,0,0,0|3,0,1]=4 171 B10R0.6 CC(C)NC(=O)NCCC#N 512a_100138425928_100000720768 [0,0,0,0,0,0|3,0,1]=4 172 B10R0.6 CC(C)NC(=O)NCCCF 2708a_100015189416_100138425928 [0,0,0,0,0,0|3,0,0]=3 173 B10R0.6 CC(C)NC(=O)NCCCF 2708a_100138425928_100015189416 [0,0,0,0,0,0|3,0,0]=3 174 B10R0.6 CC(C)NC(=O)NCCCF 273464a_100138425928_100015189416 [0,0,0,0,0,0|3,0,0]=3 175 B10R0.6 CC(C)NC(=O)NCCCF 512a_100015189416_100138425928 [0,0,0,0,0,0|3,0,0]=3 176 B10R0.6 CC(C)NC(=O)NCCCF 512a_100138425928_100015189416 [0,0,0,0,0,0|3,0,0]=3 177 B10R0.6 CC(C)NC(=O)NCCCO 2708a_100138425928_100000182051 [0,0,0,0,0,0|3,0,0]=3 178 B10R0.6 CC(C)NC(=O)NCCCO 273464a_100138425928_100000182051 [0,0,0,0,0,0|3,0,0]=3 179 B10R0.6 CC(C)NC(=O)NCCCO 512a_100138425928_100000182051 [0,0,0,0,0,0|3,0,0]=3 180 B10R0.6 CC(C)NC(=O)NNCCO 273464a_100138425928_100000210001 [0,0,0,0,0,0|4,0,0]=4 181 B10R0.6 CC(C)NC(=O)NNCCO 512a_100138425928_100000210001 [0,0,0,0,0,0|4,0,0]=4 182 B10R0.6 CC(C)OC(=O)CCSCF 62a_100000760027_100015361967 [0,0,0,0,0,0|4,0,0]=4 183 B10R0.6 CC(C)OC(=O)CCSCF 62a_100015361967_100000760027 [0,0,0,0,0,0|4,0,0]=4 184 B10R0.6 CC(C)OC(=O)CNCCF 34a_100000724931_100011215430 [0,0,0,0,0,0|4,0,0]=4 185 B10R0.6 CC(C)OC(=O)CNCCO 2230a_100016997473_100011215430 [0,0,0,0,0,0|4,0,0]=4 186 B10R0.6 CC(C)OC(=O)CNCCO 34a_100016990907_100011215430 [0,0,0,0,0,0|4,0,0]=4 187 B10R0.6 CC(C)OC(=O)COCCBr 34a_100000211926_100011215430 [0,0,0,0,0,0|4,0,0]=4 188 B10R0.6 CC(C)OC(=O)COCCN 34a_100000210304_100011215430 [0,0,0,0,0,0|4,0,0]=4 189 B10R0.6 CC(C)OC(=O)CSCCF 62a_100011215430_100011217306 [0,0,0,0,0,0|4,0,0]=4 190 B10R0.6 CC(C)OC(=O)CSCCF 62a_100011217306_100011215430 [0,0,0,0,0,0|4,0,0]=4 191 B10R0.6 CC(C)OC(=O)CSCCO 62a_100000211926_100011215430 [0,0,0,0,0,0|4,0,0]=4 192 B10R0.6 CC(C)OC(=O)CSCCO 62a_100011215430_100000211926 [0,0,0,0,0,0|4,0,0]=4 193 B10R0.6 CC(C)OC(=O)OCSCF 62a_100000003507_100015361967 [0,0,0,0,0,0|3,0,0]=3 194 B10R0.6 CC(C)OC(=O)OCSCF 62a_100015361967_100000003507 [0,0,0,0,0,0|3,0,0]=3 195 B10R0.6 CC(O)CC(=O)CCCC#N 1458a_100000075515_100011218427 [0,0,0,0,0,0|3,0,1]=4 196 B10R0.6 CC(O)CC(=O)CCCCO 1458a_100000695505_100011218427 [0,0,0,0,0,0|3,0,0]=3 197 B10R0.6 CC(O)CC(=O)COCCO 1458a_100000708028_100011218427 [0,0,0,0,0,0|4,0,0]=4 198 B10R0.6 CC/C=C/CC(=O)CC(C)C 1458a_100016274230_100000210624 [0,0,0,0,0,0|1,0,2]=3 199 B10R0.6 CC/C=C/CC(=O)CC(C)O 1458a_100016274230_100011218427 [0,0,0,0,0,0|2,0,2]=4 200 B10R0.6 CC/C=C/CC(=O)NC(C)C 11a_100138425928_100016274230 [0,0,0,0,0,0|2,0,2]=4 201 B10R0.6 CC/C=C/CC(=O)NC(C)C 1626a_100138425928_100016274230 [0,0,0,0,0,0|2,0,2]=4 202 B10R0.6 CC/C=C/CC(=O)NC(C)C 240690a_100138425928_100016274230 [0,0,0,0,0,0|2,0,2]=4 203 B10R0.6 CC/C=C/CC(=O)NC(C)C 527a_100138425928_100016274230 [0,0,0,0,0,0|2,0,2]=4 204 B10R0.6 CC/C=C\CC(=O)CC(C)C 1458a_100000210554_100103147603 [0,0,0,0,0,0|1,0,2]=3 205 B10R0.6 CC/C=C\CC(=O)CN(C)C 1458a_100000750896_100103147603 [0,0,0,0,0,0|2,0,2]=4 206 B10R0.6 CC/C=C\CC(=O)C[C@@H](C)O 1458a_100011933948_100103147603 [0,0,0,0,0,0|2,0,2]=4 207 B10R0.6 CC/C=C\CC(=O)C[S+](C)C 1458a_200159257847_100103147603 [0,0,0,0,0,0|2,0,2]=4 208 B10R0.6 CC=CCOC(C)CC(C)C 34a_100000211805_100000070051 [0,0,0,0,0,0|1,0,3]=4 209 B10R0.6 CC=CCOC(C)CC(C)C 7a_100000211805_100000070051 [0,0,0,0,0,0|1,0,3]=4 210 B10R0.6 CCC#CCC(=O)CC(C)C 1458a_100000210554_100009813939 [0,0,0,0,0,0|1,0,2]=3 211 B10R0.6 CCC#CCC(=O)CN(C)C 1458a_100000750896_100009813939 [0,0,0,0,0,0|2,0,2]=4 212 B10R0.6 CCC#CCC(=O)C[C@@H](C)O 1458a_100011933948_100009813939 [0,0,0,0,0,0|2,0,2]=4 213 B10R0.6 CCC#CCC(=O)C[S+](C)C 1458a_200159257847_100009813939 [0,0,0,0,0,0|2,0,2]=4 214 B10R0.6 CCC=NNC(=O)CC(C)C 4a_100000189787_100000210100 [0,0,0,0,0,0|2,0,1]=3 215 B10R0.6 CCC=NNC(=O)CN(C)C 4a_100000750941_100000210100 [0,0,0,0,0,0|3,0,1]=4 216 B10R0.6 CCCC#CC(=O)CC(C)C 1458a_200011218047_100000210624 [0,0,0,0,0,0|1,0,1]=2 217 B10R0.6 CCCC#CC(=O)CC(C)O 1458a_200011218047_100011218427 [0,0,0,0,0,0|2,0,1]=3 218 B10R0.6 CCCC#CC(=O)CC(F)F 1458a_200011218047_100011934356 [0,0,0,0,0,0|3,0,1]=4 219 B10R0.6 CCCC#CC(=O)NC(C)C 240690a_100138425928_200011218047 [0,0,0,0,0,0|2,0,1]=3 220 B10R0.6 CCCC=CC(=O)CC(C)C 1458a_100000212230_100000210624 [0,0,0,0,0,0|1,0,1]=2 221 B10R0.6 CCCC=CC(=O)CC(C)O 1458a_100000212230_100011218427 [0,0,0,0,0,0|2,0,1]=3 222 B10R0.6 CCCC=CC(=O)CC(F)F 1458a_100000212230_100011934356 [0,0,0,0,0,0|3,0,1]=4 223 B10R0.6 CCCC=CC(=O)NC(C)C 11a_100138425928_100000212230 [0,0,0,0,0,0|2,0,1]=3 224 B10R0.6 CCCC=CC(=O)NC(C)C 1626a_100138425928_100000212230 [0,0,0,0,0,0|2,0,1]=3 225 B10R0.6 CCCC=CC(=O)NC(C)C 240690a_100138425928_100000212230 [0,0,0,0,0,0|2,0,1]=3 226 B10R0.6 CCCCCC(=O)C=C(C)C 1458a_100000211388_100000210326 [0,0,0,0,0,0|1,0,2]=3 227 B10R0.6 CCCCCC(=O)C=C(C)Cl 1458a_200042562850_100000210326 [0,0,0,0,0,0|2,0,2]=4 228 B10R0.6 CCCCCC(=O)C=C(C)I 1458a_100025716642_100000210326 [0,0,0,0,0,0|2,0,2]=4 229 B10R0.6 CCCCCC(=O)CC(=O)C 1458a_100000070787_200012276598 [0,0,0,0,0,0|2,0,1]=3 230 B10R0.6 CCCCCC(=O)CC(=O)N 1458a_100000212188_100000187820 [0,0,0,0,0,0|3,0,1]=4 231 B10R0.6 CCCCCC(=O)CC(=O)N 1458a_100134613110_100000210326 [0,0,0,0,0,0|3,0,1]=4 232 B10R0.6 CCCCCC(=O)CC(=O)[O-] 1458a_100000212188_100020667443 [0,0,0,0,0,0|3,0,1]=4 233 B10R0.6 CCCCCC(=O)CC(C)C 1458a_100000210554_100000210326 [0,0,0,0,0,0|1,0,0]=1 234 B10R0.6 CCCCCC(=O)CC(C)C 1458a_100000212188_100000210624 [0,0,0,0,0,0|1,0,0]=1 235 B10R0.6 CCCCCC(=O)CC(C)O 1458a_100000212188_100011218427 [0,0,0,0,0,0|2,0,0]=2 236 B10R0.6 CCCCCC(=O)CC(F)F 1458a_100000212188_100011934356 [0,0,0,0,0,0|3,0,0]=3 237 B10R0.6 CCCCCC(=O)CN(C)C 1458a_100000750896_100000210326 [0,0,0,0,0,0|2,0,0]=2 238 B10R0.6 CCCCCC(=O)CN(C)C 2230a_100102631434_200012276598 [0,0,0,0,0,0|2,0,0]=2 239 B10R0.6 CCCCCC(=O)CN(C)C 269982a_100102631434_200012276598 [0,0,0,0,0,0|2,0,0]=2 240 B10R0.6 CCCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000210326 [0,0,0,0,0,0|2,0,0]=2 241 B10R0.6 CCCCCC(=O)C[N+](=O)[O-] 1458a_100000212188_100000761209 [0,0,0,0,0,0|4,0,0]=4 242 B10R0.6 CCCCCC(=O)C[S+](C)C 1458a_200159257847_100000210326 [0,0,0,0,0,0|2,0,0]=2 243 B10R0.6 CCCCCC(=O)NC(C)C 11a_100138425928_100000212188 [0,0,0,0,0,0|2,0,0]=2 244 B10R0.6 CCCCCC(=O)NC(C)C 1626a_100138425928_100000212188 [0,0,0,0,0,0|2,0,0]=2 245 B10R0.6 CCCCCC(=O)NC(C)C 240690a_100138425928_100000212188 [0,0,0,0,0,0|2,0,0]=2 246 B10R0.6 CCCCCC(=O)NC(C)C 527a_100138425928_100000212188 [0,0,0,0,0,0|2,0,0]=2 247 B10R0.6 CCCCCC(C)NC(C)C 2230a_100000211957_100000210206 [0,0,0,0,0,0|3,0,1]=4 248 B10R0.6 CCCCCC(C)NC(C)C 2230a_100138425928_200011218191 [0,0,0,0,0,0|3,0,1]=4 249 B10R0.6 CCCCCC(C)NC(C)C 34a_100138425928_200011218191 [0,0,0,0,0,0|3,0,1]=4 250 B10R0.6 CCCCCC(C)OC(C)C 34a_100000212225_200011218191 [0,0,0,0,0,0|3,0,1]=4 251 B10R0.6 CCCCCC(C)OC(C)C 34a_100011215632_100000210206 [0,0,0,0,0,0|3,0,1]=4 252 B10R0.6 CCCCCC(C)OC(C)C 7a_100011215632_100000210206 [0,0,0,0,0,0|3,0,1]=4 253 B10R0.6 CCCCCC(C)SC(C)C 62a_100000210206_200011218191 [0,0,0,0,0,0|3,0,1]=4 254 B10R0.6 CCCCCC(C)SC(C)C 62a_200011218191_100000210206 [0,0,0,0,0,0|3,0,1]=4 255 B10R0.6 CCCCCN(C)CC(C)C 2230a_100000223495_100000210760 [0,0,0,0,0,0|3,0,0]=3 256 B10R0.6 CCCCCN(C)CC(C)C 2230a_100000747067_100000210326 [0,0,0,0,0,0|3,0,0]=3 257 B10R0.6 CCCCCN(C)CC(C)C 269982a_100000223495_100000210624 [0,0,0,0,0,0|3,0,0]=3 258 B10R0.6 CCCCCN(C)CC(C)C 269982a_100000747067_100000210215 [0,0,0,0,0,0|3,0,0]=3 259 B10R0.6 CCCCCN(C)CC(C)C 270004a_100000223495_100000210432 [0,0,0,0,0,0|3,0,0]=3 260 B10R0.6 CCCCCN(C)CC(C)O 2230a_100000223495_100011218427 [0,0,0,0,0,0|4,0,0]=4 261 B10R0.6 CCCCCN(C)CC(C)O 2230a_100000227577_100000210326 [0,0,0,0,0,0|4,0,0]=4 262 B10R0.6 CCCCCN(C)CC(C)O 269982a_100000223495_100011218427 [0,0,0,0,0,0|4,0,0]=4 263 B10R0.6 CCCCCN(C)CC(C)O 269982a_100000227577_100000210215 [0,0,0,0,0,0|4,0,0]=4 264 B10R0.6 CCCCCN(C)C[C@@H](C)O 2230a_100000223495_100009817552 [0,0,0,0,0,0|4,0,0]=4 265 B10R0.6 CCCCCN(C)C[C@@H](C)O 269982a_100000223495_100009817552 [0,0,0,0,0,0|4,0,0]=4 266 B10R0.6 CCCCNC(=O)C=C(C)C 11a_100000102301_100000211388 [0,0,0,0,0,0|1,0,2]=3 267 B10R0.6 CCCCNC(=O)C=C(C)C 1626a_100000102301_100000211388 [0,0,0,0,0,0|1,0,2]=3 268 B10R0.6 CCCCNC(=O)C=C(C)C 240690a_100000102301_100000211388 [0,0,0,0,0,0|1,0,2]=3 269 B10R0.6 CCCCNC(=O)C=C(C)Cl 11a_100000102301_200042562850 [0,0,0,0,0,0|2,0,2]=4 270 B10R0.6 CCCCNC(=O)C=C(C)Cl 1626a_100000102301_200042562850 [0,0,0,0,0,0|2,0,2]=4 271 B10R0.6 CCCCNC(=O)C=C(C)Cl 240690a_100000102301_200042562850 [0,0,0,0,0,0|2,0,2]=4 272 B10R0.6 CCCCNC(=O)C=C(C)I 11a_100000102301_100025716642 [0,0,0,0,0,0|2,0,2]=4 273 B10R0.6 CCCCNC(=O)C=C(C)I 1626a_100000102301_100025716642 [0,0,0,0,0,0|2,0,2]=4 274 B10R0.6 CCCCNC(=O)CC(=O)C 1458a_100000070787_100000182744 [0,0,0,0,0,0|2,0,1]=3 275 B10R0.6 CCCCNC(=O)CC(=O)N 240690a_100000102301_100134613110 [0,0,0,0,0,0|3,0,1]=4 276 B10R0.6 CCCCNC(=O)CC(=O)N 527a_100000102301_100134613110 [0,0,0,0,0,0|3,0,1]=4 277 B10R0.6 CCCCNC(=O)CC(C)C 11a_100000102301_100000210554 [0,0,0,0,0,0|1,0,0]=1 278 B10R0.6 CCCCNC(=O)CC(C)C 1626a_100000102301_100000210554 [0,0,0,0,0,0|1,0,0]=1 279 B10R0.6 CCCCNC(=O)CC(C)C 240690a_100000102301_100000210554 [0,0,0,0,0,0|1,0,0]=1 280 B10R0.6 CCCCNC(=O)CC(C)C 527a_100000102301_100000210554 [0,0,0,0,0,0|1,0,0]=1 281 B10R0.6 CCCCNC(=O)CN(C)C 11a_100000102301_100000750896 [0,0,0,0,0,0|2,0,0]=2 282 B10R0.6 CCCCNC(=O)CN(C)C 2230a_100102631434_100000182744 [0,0,0,0,0,0|2,0,0]=2 283 B10R0.6 CCCCNC(=O)CN(C)C 2230a_200000213093_200000210301 [0,0,0,0,0,0|2,0,0]=2 284 B10R0.6 CCCCNC(=O)CN(C)C 240690a_100000102301_100000750896 [0,0,0,0,0,0|2,0,0]=2 285 B10R0.6 CCCCNC(=O)CN(C)C 269982a_100102631434_100000182744 [0,0,0,0,0,0|2,0,0]=2 286 B10R0.6 CCCCNC(=O)CN(C)C 269982a_200000213093_200000210301 [0,0,0,0,0,0|2,0,0]=2 287 B10R0.6 CCCCNC(=O)CN(C)C 527a_100000102301_100000750896 [0,0,0,0,0,0|2,0,0]=2 288 B10R0.6 CCCCNC(=O)CN(C)[13CH3] 2230a_200000213093_200025704644 [0,0,0,0,0,0|2,0,0]=2 289 B10R0.6 CCCCNC(=O)CN(C)[13CH3] 269982a_200000213093_200025704644 [0,0,0,0,0,0|2,0,0]=2 290 B10R0.6 CCCCNC(=O)C[C@@H](C)O 240690a_100000102301_100011933948 [0,0,0,0,0,0|2,0,0]=2 291 B10R0.6 CCCCNC(=O)C[S+](C)C 11a_100000102301_200159257847 [0,0,0,0,0,0|2,0,0]=2 292 B10R0.6 CCCCNC(=O)C[S+](C)C 1626a_100000102301_200159257847 [0,0,0,0,0,0|2,0,0]=2 293 B10R0.6 CCCCNC(=O)C[S+](C)C 240690a_100000102301_200159257847 [0,0,0,0,0,0|2,0,0]=2 294 B10R0.6 CCCCNC(=O)C[S+](C)C 527a_100000102301_200159257847 [0,0,0,0,0,0|2,0,0]=2 295 B10R0.6 CCCCNC(=O)NC(C)C 2708a_100000102301_100138425928 [0,0,0,0,0,0|2,0,0]=2 296 B10R0.6 CCCCNC(=O)NC(C)C 2708a_100138425928_100000102301 [0,0,0,0,0,0|2,0,0]=2 297 B10R0.6 CCCCNC(=O)NC(C)C 273464a_100138425928_100000102301 [0,0,0,0,0,0|2,0,0]=2 298 B10R0.6 CCCCNC(=O)NC(C)C 512a_100000102301_100138425928 [0,0,0,0,0,0|2,0,0]=2 299 B10R0.6 CCCCNC(=O)NC(C)C 512a_100138425928_100000102301 [0,0,0,0,0,0|2,0,0]=2 300 B10R0.6 CCCCNC(C)CC(C)C 2230a_100000102301_100000731052 [0,0,0,0,0,0|2,0,1]=3 301 B10R0.6 CCCCNC(C)CC(C)C 2230a_100000692259_100000210211 [0,0,0,0,0,0|2,0,1]=3 302 B10R0.6 CCCCNC(C)CC(C)C 7a_106832991798_100000731052 [0,0,0,0,0,0|2,0,1]=3 303 B10R0.6 CCCCOC(=O)CC(=O)C 1458a_100000070787_100000211628 [0,0,0,0,0,0|1,0,1]=2 304 B10R0.6 CCCCOC(=O)CN(C)C 2230a_100102631434_100000211628 [0,0,0,0,0,0|1,0,0]=1 305 B10R0.6 CCCCOC(=O)CN(C)C 269982a_100102631434_100000211628 [0,0,0,0,0,0|1,0,0]=1 306 B10R0.6 CCCCOC(C)C=C(C)C 34a_100000717055_100000210210 [0,0,0,0,0,0|1,0,3]=4 307 B10R0.6 CCCCOC(C)CC(C)C 34a_100000210227_100000731052 [0,0,0,0,0,0|1,0,1]=2 308 B10R0.6 CCCCOC(C)CC(C)C 34a_100000211805_100000210210 [0,0,0,0,0,0|1,0,1]=2 309 B10R0.6 CCCCOC(C)CC(C)C 7a_100000210227_100000731052 [0,0,0,0,0,0|1,0,1]=2 310 B10R0.6 CCCCOC(C)CC(C)C 7a_100000211805_100000210211 [0,0,0,0,0,0|1,0,1]=2 311 B10R0.6 CCCCSC(C)CC(C)C 62a_100000210211_100000731052 [0,0,0,0,0,0|1,1,1]=3 312 B10R0.6 CCCCSC(C)CC(C)C 62a_100000731052_100000210210 [0,0,0,0,0,0|1,1,1]=3 313 B10R0.6 CCCCSC(C)CN(C)C 62a_100000210211_100020606517 [0,0,0,0,0,0|2,1,1]=4 314 B10R0.6 CCCCSC(C)CN(C)C 62a_100020606517_100000210210 [0,0,0,0,0,0|2,1,1]=4 315 B10R0.6 CCCNCC(=O)NC(C)C 2230a_100000168517_100000210303 [0,0,0,0,0,0|3,0,0]=3 316 B10R0.6 CCCNNC(=O)C=C(C)C 22a_100000740057_100000211388 [0,0,0,0,0,0|2,0,2]=4 317 B10R0.6 CCCNNC(=O)CC(C)C 22a_100000740057_100000210554 [0,0,0,0,0,0|2,0,0]=2 318 B10R0.6 CCCNNC(=O)CN(C)C 22a_100000740057_100000750896 [0,0,0,0,0,0|3,0,0]=3 319 B10R0.6 CCCNNC(=O)C[C@@H](C)O 22a_100000740057_100011933948 [0,0,0,0,0,0|3,0,0]=3 320 B10R0.6 CCCNNC(=O)C[S+](C)C 22a_100000740057_200159257847 [0,0,0,0,0,0|3,0,0]=3 321 B10R0.6 CCCNNC(=O)NC(C)C 273464a_100138425928_100000740057 [0,0,0,0,0,0|3,0,0]=3 322 B10R0.6 CCCNNC(=O)NC(C)C 512a_100000740057_100138425928 [0,0,0,0,0,0|3,0,0]=3 323 B10R0.6 CCCNNC(=O)NC(C)C 512a_100138425928_100000740057 [0,0,0,0,0,0|3,0,0]=3 324 B10R0.6 CCCOCC(=O)CC(C)C 1458a_100000745993_100000210624 [0,0,0,0,0,0|2,0,0]=2 325 B10R0.6 CCCOCC(=O)CC(C)O 1458a_100000745993_100011218427 [0,0,0,0,0,0|3,0,0]=3 326 B10R0.6 CCCOCC(=O)CC(F)F 1458a_100000745993_100011934356 [0,0,0,0,0,0|4,0,0]=4 327 B10R0.6 CCCOCC(=O)NC(C)C 11a_100138425928_100000745993 [0,0,0,0,0,0|3,0,0]=3 328 B10R0.6 CCCOCC(=O)NC(C)C 1626a_100138425928_100000745993 [0,0,0,0,0,0|3,0,0]=3 329 B10R0.6 CCCOCC(=O)NC(C)C 240690a_100138425928_100000745993 [0,0,0,0,0,0|3,0,0]=3 330 B10R0.6 CCCOCC(=O)NC(C)C 34a_100000210258_100000183996 [0,0,0,0,0,0|3,0,0]=3 331 B10R0.6 CCCOCC(=O)NC(C)C 527a_100138425928_100000745993 [0,0,0,0,0,0|3,0,0]=3 332 B10R0.6 CCCOCC(=O)OC(C)C 34a_100000210258_100011215430 [0,0,0,0,0,0|3,0,0]=3 333 B10R0.6 CCCOC[C@@H](N)CC(C)C 34a_100011830311_100000210303 [0,0,0,0,0,0|3,0,1]=4 334 B10R0.6 CCCSCC(=O)CC(C)C 1458a_100000217233_100000210624 [0,0,0,0,0,0|2,0,0]=2 335 B10R0.6 CCCSCC(=O)CC(C)O 1458a_100000217233_100011218427 [0,0,0,0,0,0|3,0,0]=3 336 B10R0.6 CCCSCC(=O)CC(F)F 1458a_100000217233_100011934356 [0,0,0,0,0,0|4,0,0]=4 337 B10R0.6 CCCSCC(=O)NC(C)C 11a_100138425928_100000217233 [0,0,0,0,0,0|3,0,0]=3 338 B10R0.6 CCCSCC(=O)NC(C)C 1626a_100138425928_100000217233 [0,0,0,0,0,0|3,0,0]=3 339 B10R0.6 CCCSCC(=O)NC(C)C 240690a_100138425928_100000217233 [0,0,0,0,0,0|3,0,0]=3 340 B10R0.6 CCCSCC(=O)NC(C)C 527a_100138425928_100000217233 [0,0,0,0,0,0|3,0,0]=3 341 B10R0.6 CCCSCC(=O)NC(C)C 62a_100000183996_100000210303 [0,0,0,0,0,0|3,0,0]=3 342 B10R0.6 CCCSCC(=O)NC(C)C 62a_100000210303_100000183996 [0,0,0,0,0,0|3,0,0]=3 343 B10R0.6 CCCSCC(=O)OC(C)C 62a_100000210303_100011215430 [0,0,0,0,0,0|3,0,0]=3 344 B10R0.6 CCCSCC(=O)OC(C)C 62a_100011215430_100000210303 [0,0,0,0,0,0|3,0,0]=3 345 B10R0.6 CCNCCC(=O)NC(C)C 2230a_100015525214_100000737564 [0,0,0,0,0,0|3,0,0]=3 346 B10R0.6 CCNCCC(=O)OC(C)C 2230a_100015525214_100000760027 [0,0,0,0,0,0|3,0,0]=3 347 B10R0.6 CCOC=CC(=O)CC(C)C 1458a_100016266692_100000210624 [0,0,0,0,0,0|2,0,1]=3 348 B10R0.6 CCOC=CC(=O)CC(C)O 1458a_100016266692_100011218427 [0,0,0,0,0,0|3,0,1]=4 349 B10R0.6 CCOC=CC(=O)NC(C)C 11a_100138425928_100016266692 [0,0,0,0,0,0|3,0,1]=4 350 B10R0.6 CCOC=CC(=O)NC(C)C 1626a_100138425928_100016266692 [0,0,0,0,0,0|3,0,1]=4 351 B10R0.6 CCOC=CC(=O)NC(C)C 240690a_100138425928_100016266692 [0,0,0,0,0,0|3,0,1]=4 352 B10R0.6 CCOCCC(=O)C=C(C)C 1458a_100000211388_100011215890 [0,0,0,0,0,0|2,0,2]=4 353 B10R0.6 CCOCCC(=O)CC(C)C 1458a_100000210554_100011215890 [0,0,0,0,0,0|2,0,0]=2 354 B10R0.6 CCOCCC(=O)CC(C)C 1458a_100000749530_100000210624 [0,0,0,0,0,0|2,0,0]=2 355 B10R0.6 CCOCCC(=O)CC(C)O 1458a_100000749530_100011218427 [0,0,0,0,0,0|3,0,0]=3 356 B10R0.6 CCOCCC(=O)CC(F)F 1458a_100000749530_100011934356 [0,0,0,0,0,0|4,0,0]=4 357 B10R0.6 CCOCCC(=O)CN(C)C 1458a_100000750896_100011215890 [0,0,0,0,0,0|3,0,0]=3 358 B10R0.6 CCOCCC(=O)C[C@@H](C)O 1458a_100011933948_100011215890 [0,0,0,0,0,0|3,0,0]=3 359 B10R0.6 CCOCCC(=O)C[S+](C)C 1458a_200159257847_100011215890 [0,0,0,0,0,0|3,0,0]=3 360 B10R0.6 CCOCCC(=O)NC(C)C 11a_100138425928_100000749530 [0,0,0,0,0,0|3,0,0]=3 361 B10R0.6 CCOCCC(=O)NC(C)C 1626a_100138425928_100000749530 [0,0,0,0,0,0|3,0,0]=3 362 B10R0.6 CCOCCC(=O)NC(C)C 240690a_100138425928_100000749530 [0,0,0,0,0,0|3,0,0]=3 363 B10R0.6 CCOCCC(=O)NC(C)C 527a_100138425928_100000749530 [0,0,0,0,0,0|3,0,0]=3 364 B10R0.6 CCOCCN(C)CC(C)C 2230a_100000747067_100011215890 [0,0,0,0,0,0|4,0,0]=4 365 B10R0.6 CCOCCN(C)CC(C)C 269982a_100000747067_100011215890 [0,0,0,0,0,0|4,0,0]=4 366 B10R0.6 CCOCC[C@@H](N)CC(C)C 34a_100161151251_100000210202 [0,0,0,0,0,0|3,0,1]=4 367 B10R0.6 CCOCSC(C)CC(C)C 62a_100000731052_100000739092 [0,0,0,0,0,0|2,1,1]=4 368 B10R0.6 CCOCSC(C)CC(C)C 62a_100000739092_100000731052 [0,0,0,0,0,0|2,1,1]=4 369 B10R0.6 CCSCCC(=O)C=C(C)C 1458a_100000211388_100000757381 [0,0,0,0,0,0|2,0,2]=4 370 B10R0.6 CCSCCC(=O)CC(C)C 1458a_100000210554_100000757381 [0,0,0,0,0,0|2,0,0]=2 371 B10R0.6 CCSCCC(=O)CC(C)C 1458a_100000230768_100000210624 [0,0,0,0,0,0|2,0,0]=2 372 B10R0.6 CCSCCC(=O)CC(C)O 1458a_100000230768_100011218427 [0,0,0,0,0,0|3,0,0]=3 373 B10R0.6 CCSCCC(=O)CC(F)F 1458a_100000230768_100011934356 [0,0,0,0,0,0|4,0,0]=4 374 B10R0.6 CCSCCC(=O)CN(C)C 1458a_100000750896_100000757381 [0,0,0,0,0,0|3,0,0]=3 375 B10R0.6 CCSCCC(=O)C[C@@H](C)O 1458a_100011933948_100000757381 [0,0,0,0,0,0|3,0,0]=3 376 B10R0.6 CCSCCC(=O)C[S+](C)C 1458a_200159257847_100000757381 [0,0,0,0,0,0|3,0,0]=3 377 B10R0.6 CCSCCC(=O)NC(C)C 11a_100138425928_100000230768 [0,0,0,0,0,0|3,0,0]=3 378 B10R0.6 CCSCCC(=O)NC(C)C 1626a_100138425928_100000230768 [0,0,0,0,0,0|3,0,0]=3 379 B10R0.6 CCSCCC(=O)NC(C)C 240690a_100138425928_100000230768 [0,0,0,0,0,0|3,0,0]=3 380 B10R0.6 CCSCCC(=O)NC(C)C 527a_100138425928_100000230768 [0,0,0,0,0,0|3,0,0]=3 381 B10R0.6 CCSCCC(=O)NC(C)C 62a_100000210202_100000737564 [0,0,0,0,0,0|3,0,0]=3 382 B10R0.6 CCSCCC(=O)NC(C)C 62a_100000737564_100000210202 [0,0,0,0,0,0|3,0,0]=3 383 B10R0.6 CCSCCC(=O)OC(C)C 62a_100000210202_100000760027 [0,0,0,0,0,0|3,0,0]=3 384 B10R0.6 CCSCCC(=O)OC(C)C 62a_100000760027_100000210202 [0,0,0,0,0,0|3,0,0]=3 385 B10R0.6 CCSCCN(C)CC(C)C 2230a_100000747067_100000757381 [0,0,0,0,0,0|4,0,0]=4 386 B10R0.6 CCSCCN(C)CC(C)C 269982a_100000747067_100000757381 [0,0,0,0,0,0|4,0,0]=4 387 B10R0.6 CCSCOC(=O)OC(C)C 62a_100000003507_100000210202 [0,0,0,0,0,0|2,0,0]=2 388 B10R0.6 CCSCOC(=O)OC(C)C 62a_100000210202_100000003507 [0,0,0,0,0,0|2,0,0]=2 389 B10R0.6 CN(C)CC(=O)CCCC#N 1458a_100000750896_100000211468 [0,0,0,0,0,0|3,0,1]=4 390 B10R0.6 CN(C)CC(=O)CCCCF 1458a_100000750896_100000729493 [0,0,0,0,0,0|3,0,0]=3 391 B10R0.6 CN(C)CC(=O)CCCCO 1458a_100000750896_100000210776 [0,0,0,0,0,0|3,0,0]=3 392 B10R0.6 CN(C)CC(=O)NCCC#N 11a_100000720768_100000750896 [0,0,0,0,0,0|3,0,1]=4 393 B10R0.6 CN(C)CC(=O)NCCC#N 240690a_100000720768_100000750896 [0,0,0,0,0,0|3,0,1]=4 394 B10R0.6 CN(C)CC(=O)NCCC#N 527a_100000720768_100000750896 [0,0,0,0,0,0|3,0,1]=4 395 B10R0.6 CN(C)CC(=O)NCCCF 11a_100015189416_100000750896 [0,0,0,0,0,0|3,0,0]=3 396 B10R0.6 CN(C)CC(=O)NCCCF 240690a_100015189416_100000750896 [0,0,0,0,0,0|3,0,0]=3 397 B10R0.6 CN(C)CC(=O)NCCCF 527a_100015189416_100000750896 [0,0,0,0,0,0|3,0,0]=3 398 B10R0.6 CN(C)CC(=O)NCCCO 240690a_100000182051_100000750896 [0,0,0,0,0,0|3,0,0]=3 399 B10R0.6 CN(C)CC(=O)NCCCO 527a_100000182051_100000750896 [0,0,0,0,0,0|3,0,0]=3 400 B10R0.6 CN(C)CC(=O)NNCCO 22a_100000210001_100000750896 [0,0,0,0,0,0|4,0,0]=4 401 B10R0.6 CNCCOC(=O)CC(=O)C 34a_100102657272_100000102702 [0,0,0,0,0,0|2,0,1]=3 402 B10R0.6 COCC=CC(=O)CC(C)C 1458a_100016285016_100000210624 [0,0,0,0,0,0|2,0,1]=3 403 B10R0.6 COCC=CC(=O)CC(C)O 1458a_100016285016_100011218427 [0,0,0,0,0,0|3,0,1]=4 404 B10R0.6 COCC=CC(=O)NC(C)C 11a_100138425928_100016285016 [0,0,0,0,0,0|3,0,1]=4 405 B10R0.6 COCC=CC(=O)NC(C)C 1626a_100138425928_100016285016 [0,0,0,0,0,0|3,0,1]=4 406 B10R0.6 COCC=CC(=O)NC(C)C 240690a_100138425928_100016285016 [0,0,0,0,0,0|3,0,1]=4 407 B10R0.6 COCCCC(=O)C=C(C)C 1458a_100000211388_100000740836 [0,0,0,0,0,0|2,0,2]=4 408 B10R0.6 COCCCC(=O)CC(C)C 1458a_100000210554_100000740836 [0,0,0,0,0,0|2,0,0]=2 409 B10R0.6 COCCCC(=O)CC(C)C 1458a_100000741012_100000210624 [0,0,0,0,0,0|2,0,0]=2 410 B10R0.6 COCCCC(=O)CC(C)O 1458a_100000741012_100011218427 [0,0,0,0,0,0|3,0,0]=3 411 B10R0.6 COCCCC(=O)CC(F)F 1458a_100000741012_100011934356 [0,0,0,0,0,0|4,0,0]=4 412 B10R0.6 COCCCC(=O)CN(C)C 1458a_100000750896_100000740836 [0,0,0,0,0,0|3,0,0]=3 413 B10R0.6 COCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000740836 [0,0,0,0,0,0|3,0,0]=3 414 B10R0.6 COCCCC(=O)C[S+](C)C 1458a_200159257847_100000740836 [0,0,0,0,0,0|3,0,0]=3 415 B10R0.6 COCCCC(=O)NC(C)C 11a_100138425928_100000741012 [0,0,0,0,0,0|3,0,0]=3 416 B10R0.6 COCCCC(=O)NC(C)C 1626a_100138425928_100000741012 [0,0,0,0,0,0|3,0,0]=3 417 B10R0.6 COCCCC(=O)NC(C)C 240690a_100138425928_100000741012 [0,0,0,0,0,0|3,0,0]=3 418 B10R0.6 COCCCC(=O)NC(C)C 527a_100138425928_100000741012 [0,0,0,0,0,0|3,0,0]=3 419 B10R0.6 COCCCN(C)CC(C)C 2230a_100000224831_100000210760 [0,0,0,0,0,0|4,0,0]=4 420 B10R0.6 COCCCN(C)CC(C)C 2230a_100000747067_100000740836 [0,0,0,0,0,0|4,0,0]=4 421 B10R0.6 COCCCN(C)CC(C)C 269982a_100000224831_100000210624 [0,0,0,0,0,0|4,0,0]=4 422 B10R0.6 COCCCN(C)CC(C)C 269982a_100000747067_100000740836 [0,0,0,0,0,0|4,0,0]=4 423 B10R0.6 COCCCN(C)CC(C)C 270004a_100000224831_100000210432 [0,0,0,0,0,0|4,0,0]=4 424 B10R0.6 COCCNC(=O)C=C(C)C 1626a_100000209980_100000211388 [0,0,0,0,0,0|2,0,2]=4 425 B10R0.6 COCCNC(=O)C=C(C)C 240690a_100000209980_100000211388 [0,0,0,0,0,0|2,0,2]=4 426 B10R0.6 COCCNC(=O)CC(=O)C 1458a_100000070787_100000183275 [0,0,0,0,0,0|3,0,1]=4 427 B10R0.6 COCCNC(=O)CC(C)C 1626a_100000209980_100000210554 [0,0,0,0,0,0|2,0,0]=2 428 B10R0.6 COCCNC(=O)CC(C)C 240690a_100000209980_100000210554 [0,0,0,0,0,0|2,0,0]=2 429 B10R0.6 COCCNC(=O)CC(C)C 527a_100000209980_100000210554 [0,0,0,0,0,0|2,0,0]=2 430 B10R0.6 COCCNC(=O)CN(C)C 2230a_100020672463_200000210301 [0,0,0,0,0,0|3,0,0]=3 431 B10R0.6 COCCNC(=O)CN(C)C 2230a_100102631434_100000183275 [0,0,0,0,0,0|3,0,0]=3 432 B10R0.6 COCCNC(=O)CN(C)C 240690a_100000209980_100000750896 [0,0,0,0,0,0|3,0,0]=3 433 B10R0.6 COCCNC(=O)CN(C)C 269982a_100020672463_200000210301 [0,0,0,0,0,0|3,0,0]=3 434 B10R0.6 COCCNC(=O)CN(C)C 269982a_100102631434_100000183275 [0,0,0,0,0,0|3,0,0]=3 435 B10R0.6 COCCNC(=O)CN(C)C 527a_100000209980_100000750896 [0,0,0,0,0,0|3,0,0]=3 436 B10R0.6 COCCNC(=O)CN(C)[13CH3] 2230a_100020672463_200025704644 [0,0,0,0,0,0|3,0,0]=3 437 B10R0.6 COCCNC(=O)CN(C)[13CH3] 269982a_100020672463_200025704644 [0,0,0,0,0,0|3,0,0]=3 438 B10R0.6 COCCNC(=O)C[C@@H](C)O 240690a_100000209980_100011933948 [0,0,0,0,0,0|3,0,0]=3 439 B10R0.6 COCCNC(=O)C[S+](C)C 1626a_100000209980_200159257847 [0,0,0,0,0,0|3,0,0]=3 440 B10R0.6 COCCNC(=O)C[S+](C)C 240690a_100000209980_200159257847 [0,0,0,0,0,0|3,0,0]=3 441 B10R0.6 COCCNC(=O)C[S+](C)C 527a_100000209980_200159257847 [0,0,0,0,0,0|3,0,0]=3 442 B10R0.6 COCCNC(=O)NC(C)C 2708a_100138425928_100000209980 [0,0,0,0,0,0|3,0,0]=3 443 B10R0.6 COCCNC(=O)NC(C)C 273464a_100138425928_100000209980 [0,0,0,0,0,0|3,0,0]=3 444 B10R0.6 COCCNC(C)CC(C)C 2230a_100000209980_100000731052 [0,0,0,0,0,0|3,0,1]=4 445 B10R0.6 COCCNC(C)CC(C)C 2230a_100000692259_100011201679 [0,0,0,0,0,0|3,0,1]=4 446 B10R0.6 COCCOC(=O)CC(=O)C 1458a_100000070787_200000040189 [0,0,0,0,0,0|2,0,1]=3 447 B10R0.6 COCCOC(=O)CC(=O)C 34a_100138415774_100000102702 [0,0,0,0,0,0|2,0,1]=3 448 B10R0.6 COCCOC(=O)CN(C)C 2230a_100102631434_200000040189 [0,0,0,0,0,0|2,0,0]=2 449 B10R0.6 COCCOC(=O)CN(C)C 269982a_100102631434_200000040189 [0,0,0,0,0,0|2,0,0]=2 450 B10R0.6 COCCOC(C)CC(C)C 34a_100000210237_100000731052 [0,0,0,0,0,0|2,0,1]=3 451 B10R0.6 COCCOC(C)CC(C)C 34a_100000211805_100011201679 [0,0,0,0,0,0|2,0,1]=3 452 B10R0.6 COCCOC(C)CC(C)C 7a_100000211805_100000233755 [0,0,0,0,0,0|2,0,1]=3 453 B10R0.6 COCCSC(C)CC(C)C 62a_100000233755_100000731052 [0,0,0,0,0,0|2,1,1]=4 454 B10R0.6 COCCSC(C)CC(C)C 62a_100000731052_100000233755 [0,0,0,0,0,0|2,1,1]=4 455 B10R0.6 COCNCC(=O)NC(C)C 2230a_100000168517_100000766300 [0,0,0,0,0,0|4,0,0]=4 456 B10R0.6 COCSCC(=O)NC(C)C 62a_100000183996_100000766300 [0,0,0,0,0,0|4,0,0]=4 457 B10R0.6 COCSCC(=O)NC(C)C 62a_100000766300_100000183996 [0,0,0,0,0,0|4,0,0]=4 458 B10R0.6 COCSCC(=O)OC(C)C 62a_100000766300_100011215430 [0,0,0,0,0,0|4,0,0]=4 459 B10R0.6 COCSCC(=O)OC(C)C 62a_100011215430_100000766300 [0,0,0,0,0,0|4,0,0]=4 460 B10R0.6 CSCCCC(=O)CC(C)C 1458a_100000173376_100000210624 [0,0,0,0,0,0|2,0,0]=2 461 B10R0.6 CSCCCC(=O)CC(C)O 1458a_100000173376_100011218427 [0,0,0,0,0,0|3,0,0]=3 462 B10R0.6 CSCCCC(=O)CC(F)F 1458a_100000173376_100011934356 [0,0,0,0,0,0|4,0,0]=4 463 B10R0.6 CSCCCC(=O)NC(C)C 11a_100138425928_100000173376 [0,0,0,0,0,0|3,0,0]=3 464 B10R0.6 CSCCCC(=O)NC(C)C 1626a_100138425928_100000173376 [0,0,0,0,0,0|3,0,0]=3 465 B10R0.6 CSCCCC(=O)NC(C)C 240690a_100138425928_100000173376 [0,0,0,0,0,0|3,0,0]=3 466 B10R0.6 CSCCCC(=O)NC(C)C 527a_100138425928_100000173376 [0,0,0,0,0,0|3,0,0]=3 467 B10R0.6 CSCCNC(=O)C=C(C)C 11a_100020590264_100000211388 [0,0,0,0,0,0|2,0,2]=4 468 B10R0.6 CSCCNC(=O)C=C(C)C 1626a_100020590264_100000211388 [0,0,0,0,0,0|2,0,2]=4 469 B10R0.6 CSCCNC(=O)C=C(C)C 240690a_100020590264_100000211388 [0,0,0,0,0,0|2,0,2]=4 470 B10R0.6 CSCCNC(=O)CC(C)C 11a_100020590264_100000210554 [0,0,0,0,0,0|2,0,0]=2 471 B10R0.6 CSCCNC(=O)CC(C)C 1626a_100020590264_100000210554 [0,0,0,0,0,0|2,0,0]=2 472 B10R0.6 CSCCNC(=O)CC(C)C 240690a_100020590264_100000210554 [0,0,0,0,0,0|2,0,0]=2 473 B10R0.6 CSCCNC(=O)CC(C)C 527a_100020590264_100000210554 [0,0,0,0,0,0|2,0,0]=2 474 B10R0.6 CSCCNC(=O)CN(C)C 11a_100020590264_100000750896 [0,0,0,0,0,0|3,0,0]=3 475 B10R0.6 CSCCNC(=O)CN(C)C 240690a_100020590264_100000750896 [0,0,0,0,0,0|3,0,0]=3 476 B10R0.6 CSCCNC(=O)CN(C)C 527a_100020590264_100000750896 [0,0,0,0,0,0|3,0,0]=3 477 B10R0.6 CSCCNC(=O)C[C@@H](C)O 240690a_100020590264_100011933948 [0,0,0,0,0,0|3,0,0]=3 478 B10R0.6 CSCCNC(=O)C[S+](C)C 11a_100020590264_200159257847 [0,0,0,0,0,0|3,0,0]=3 479 B10R0.6 CSCCNC(=O)C[S+](C)C 1626a_100020590264_200159257847 [0,0,0,0,0,0|3,0,0]=3 480 B10R0.6 CSCCNC(=O)C[S+](C)C 240690a_100020590264_200159257847 [0,0,0,0,0,0|3,0,0]=3 481 B10R0.6 CSCCNC(=O)C[S+](C)C 527a_100020590264_200159257847 [0,0,0,0,0,0|3,0,0]=3 482 B10R0.6 CSCCNC(=O)NC(C)C 2708a_100020590264_100138425928 [0,0,0,0,0,0|3,0,0]=3 483 B10R0.6 CSCCNC(=O)NC(C)C 2708a_100138425928_100020590264 [0,0,0,0,0,0|3,0,0]=3 484 B10R0.6 CSCCNC(=O)NC(C)C 273464a_100138425928_100020590264 [0,0,0,0,0,0|3,0,0]=3 485 B10R0.6 CSCCNC(=O)NC(C)C 512a_100020590264_100138425928 [0,0,0,0,0,0|3,0,0]=3 486 B10R0.6 CSCCNC(=O)NC(C)C 512a_100138425928_100020590264 [0,0,0,0,0,0|3,0,0]=3 487 B10R0.6 CSCCNC(C)CC(C)C 2230a_100000692259_100000751147 [0,0,0,0,0,0|3,0,1]=4 488 B10R0.6 CSCCNC(C)CC(C)C 2230a_100020590264_100000731052 [0,0,0,0,0,0|3,0,1]=4 489 B10R0.6 CSCCOC(=O)CC(=O)C 62a_100000102702_200000210301 [0,0,0,0,0,0|2,0,1]=3 490 B10R0.6 CSCCOC(=O)CC(=O)C 62a_200000210301_100000102702 [0,0,0,0,0,0|2,0,1]=3 491 B10R0.6 CSCCOC(C)CC(C)C 34a_100000211805_100000212216 [0,0,0,0,0,0|2,0,1]=3 492 B10R0.6 CSCCOC(C)CC(C)C 34a_100000230434_100000731052 [0,0,0,0,0,0|2,0,1]=3 493 B10R0.6 CSCCOC(C)CC(C)C 7a_100000211805_100000212216 [0,0,0,0,0,0|2,0,1]=3 494 B10R0.6 CSCCOC(C)CC(C)C 7a_100000230434_100000731052 [0,0,0,0,0,0|2,0,1]=3 495 B10R0.6 CSCCSC(C)CC(C)C 62a_100000212216_100000731052 [0,0,0,0,0,0|2,1,1]=4 496 B10R0.6 CSCCSC(C)CC(C)C 62a_100000731052_100000751147 [0,0,0,0,0,0|2,1,1]=4 497 B10R0.6 CSCNCC(=O)NC(C)C 2230a_100000168517_100011218213 [0,0,0,0,0,0|4,0,0]=4 498 B10R0.6 CSCSCC(=O)NC(C)C 62a_100000183996_100011218213 [0,0,0,0,0,0|4,0,0]=4 499 B10R0.6 CSCSCC(=O)NC(C)C 62a_100011218213_100000183996 [0,0,0,0,0,0|4,0,0]=4 500 B10R0.6 CSCSCC(=O)OC(C)C 62a_100011215430_100011218213 [0,0,0,0,0,0|4,0,0]=4 501 B10R0.6 CSCSCC(=O)OC(C)C 62a_100011218213_100011215430 [0,0,0,0,0,0|4,0,0]=4 502 B10R0.6 C[C@@H](O)CC(=O)CCCC#N 1458a_100011933948_100000211468 [0,0,0,0,0,0|3,0,1]=4 503 B10R0.6 C[C@@H](O)CC(=O)CCCCF 1458a_100011933948_100000729493 [0,0,0,0,0,0|3,0,0]=3 504 B10R0.6 C[C@@H](O)CC(=O)CCCCO 1458a_100011933948_100000210776 [0,0,0,0,0,0|3,0,0]=3 505 B10R0.6 C[C@@H](O)CC(=O)NCCC#N 240690a_100000720768_100011933948 [0,0,0,0,0,0|3,0,1]=4 506 B10R0.6 C[C@@H](O)CC(=O)NCCCF 240690a_100015189416_100011933948 [0,0,0,0,0,0|3,0,0]=3 507 B10R0.6 C[C@@H](O)CC(=O)NCCCO 240690a_100000182051_100011933948 [0,0,0,0,0,0|3,0,0]=3 508 B10R0.6 C[C@@H](O)CC(=O)NNCCO 22a_100000210001_100011933948 [0,0,0,0,0,0|4,0,0]=4 509 B10R0.6 C[S+](C)CC(=O)CCCC#N 1458a_200159257847_100000211468 [0,0,0,0,0,0|3,0,1]=4 510 B10R0.6 C[S+](C)CC(=O)CCCCF 1458a_200159257847_100000729493 [0,0,0,0,0,0|3,0,0]=3 511 B10R0.6 C[S+](C)CC(=O)CCCCO 1458a_200159257847_100000210776 [0,0,0,0,0,0|3,0,0]=3 512 B10R0.6 C[S+](C)CC(=O)NCCC#N 11a_100000720768_200159257847 [0,0,0,0,0,0|3,0,1]=4 513 B10R0.6 C[S+](C)CC(=O)NCCC#N 1626a_100000720768_200159257847 [0,0,0,0,0,0|3,0,1]=4 514 B10R0.6 C[S+](C)CC(=O)NCCC#N 240690a_100000720768_200159257847 [0,0,0,0,0,0|3,0,1]=4 515 B10R0.6 C[S+](C)CC(=O)NCCC#N 527a_100000720768_200159257847 [0,0,0,0,0,0|3,0,1]=4 516 B10R0.6 C[S+](C)CC(=O)NCCCF 11a_100015189416_200159257847 [0,0,0,0,0,0|3,0,0]=3 517 B10R0.6 C[S+](C)CC(=O)NCCCF 1626a_100015189416_200159257847 [0,0,0,0,0,0|3,0,0]=3 518 B10R0.6 C[S+](C)CC(=O)NCCCF 240690a_100015189416_200159257847 [0,0,0,0,0,0|3,0,0]=3 519 B10R0.6 C[S+](C)CC(=O)NCCCF 527a_100015189416_200159257847 [0,0,0,0,0,0|3,0,0]=3 520 B10R0.6 C[S+](C)CC(=O)NCCCO 240690a_100000182051_200159257847 [0,0,0,0,0,0|3,0,0]=3 521 B10R0.6 C[S+](C)CC(=O)NCCCO 527a_100000182051_200159257847 [0,0,0,0,0,0|3,0,0]=3 522 B10R0.6 C[S+](C)CC(=O)NNCCO 22a_100000210001_200159257847 [0,0,0,0,0,0|4,0,0]=4 523 B10R0.6 O=C(CCCCO)CC(F)F 1458a_100000695505_100011934356 [0,0,0,0,0,0|4,0,0]=4 524 B9R0.2 C#CCCOCCC(C)C 34a_100000210254_100000688953 [1,0,0,0,0,0|0,0,3]=4 525 B9R0.2 C#CCCOCCC(C)C 34a_100011215631_100000210312 [1,0,0,0,0,0|0,0,3]=4 526 B9R0.2 C#CCCOCCC(C)C 7a_100000210254_100000688953 [1,0,0,0,0,0|0,0,3]=4 527 B9R0.2 C/C=C/COCCC(C)C 34a_100000210254_100102629194 [1,0,0,0,0,0|0,0,3]=4 528 B9R0.2 C/C=C/COCCC(C)C 34a_100016270725_100000210312 [1,0,0,0,0,0|0,0,3]=4 529 B9R0.2 C/C=C/COCCC(C)C 7a_100000210254_100102629194 [1,0,0,0,0,0|0,0,3]=4 530 B9R0.2 C=C(C)CCOCCCC 34a_100000210227_100000730704 [1,0,0,0,0,0|0,0,3]=4 531 B9R0.2 C=C(C)CCOCCCC 34a_100000764851_100000210210 [1,0,0,0,0,0|0,0,3]=4 532 B9R0.2 C=C(C)CCOCCCC 7a_100000210227_100000730704 [1,0,0,0,0,0|0,0,3]=4 533 B9R0.2 C=CCCOCCC(C)C 34a_100000210254_100000754431 [1,0,0,0,0,0|0,0,3]=4 534 B9R0.2 C=CCCOCCC(C)C 34a_100011205117_100000210312 [1,0,0,0,0,0|0,0,3]=4 535 B9R0.2 C=CCCOCCC(C)C 7a_100000210254_100000754431 [1,0,0,0,0,0|0,0,3]=4 536 B9R0.2 CC#CCOCCC(C)C 34a_100000210254_100000748600 [1,0,0,0,0,0|0,0,3]=4 537 B9R0.2 CC#CCOCCC(C)C 34a_100000761923_100000210312 [1,0,0,0,0,0|0,0,3]=4 538 B9R0.2 CC#CCOCCC(C)C 7a_100000210254_100000748600 [1,0,0,0,0,0|0,0,3]=4 539 B9R0.2 CC(Br)CCOCCCF 34a_100009893172_100011934791 [1,0,0,0,0,0|2,0,1]=4 540 B9R0.2 CC(Br)CCOCCCO 34a_100009893172_100000230001 [1,0,0,0,0,0|2,0,1]=4 541 B9R0.2 CC(C)CC=NNCCO 4a_100000210001_100000185833 [1,0,0,0,0,0|3,0,0]=4 542 B9R0.2 CC(C)CCCCCN[13CH3] 2230a_100011290863_200025704644 [1,0,0,0,0,0|2,0,1]=4 543 B9R0.2 CC(C)CCCCCN[13CH3] 34a_100011290863_200025704644 [1,0,0,0,0,0|2,0,1]=4 544 B9R0.2 CC(C)CCCCCO[13CH3] 34a_100011995859_200025704644 [1,0,0,0,0,0|2,0,1]=4 545 B9R0.2 CC(C)CCCCCO[13CH3] 7a_100011995859_200025704644 [1,0,0,0,0,0|2,0,1]=4 546 B9R0.2 CC(C)CCCCCS[13CH3] 62a_100000210682_200025704644 [1,0,0,0,0,0|2,0,1]=4 547 B9R0.2 CC(C)CCCCCS[13CH3] 62a_200025704644_100000210682 [1,0,0,0,0,0|2,0,1]=4 548 B9R0.2 CC(C)CCNCCCF 2230a_100015189416_100000210312 [1,0,0,0,0,0|2,0,1]=4 549 B9R0.2 CC(C)CCNCCCF 269862a_100015189416_100000185833 [1,0,0,0,0,0|2,0,1]=4 550 B9R0.2 CC(C)CCNCCCF 34a_100015189416_100000210312 [1,0,0,0,0,0|2,0,1]=4 551 B9R0.2 CC(C)CCNCCCO 269862a_100000182051_100000185833 [1,0,0,0,0,0|2,0,1]=4 552 B9R0.2 CC(C)CCOCCC#N 7a_100000210254_100000184422 [1,0,0,0,0,0|1,0,2]=4 553 B9R0.2 CC(C)CCOCCCBr 34a_100011217188_100000210312 [1,0,0,0,0,0|1,0,1]=3 554 B9R0.2 CC(C)CCOCCCCl 34a_100000230001_100000210312 [1,0,0,0,0,0|1,0,1]=3 555 B9R0.2 CC(C)CCOCCCF 34a_100000210254_100011934791 [1,0,0,0,0,0|1,0,1]=3 556 B9R0.2 CC(C)CCOCCCF 34a_100000759539_100000210312 [1,0,0,0,0,0|1,0,1]=3 557 B9R0.2 CC(C)CCOCCCF 7a_100000210254_100011934791 [1,0,0,0,0,0|1,0,1]=3 558 B9R0.2 CC(C)CCOCCCN 34a_100000182051_100000210312 [1,0,0,0,0,0|1,0,1]=3 559 B9R0.2 CC(C)CCOCCCO 34a_100000210254_100000230001 [1,0,0,0,0,0|1,0,1]=3 560 B9R0.2 CC(C)CCOCCCO 7a_100000210254_100011215043 [1,0,0,0,0,0|1,0,1]=3 561 B9R0.2 CC(C)CCOCCON 34a_100000700252_100000210312 [1,0,0,0,0,0|2,0,1]=4 562 B9R0.2 CC(C)CCSCCCF 62a_100000210312_100011934791 [1,0,0,0,0,0|1,1,1]=4 563 B9R0.2 CC(C)CCSCCCF 62a_100011934791_100000210312 [1,0,0,0,0,0|1,1,1]=4 564 B9R0.2 CC(C)CCSCCCO 62a_100000210312_100011215043 [1,0,0,0,0,0|1,1,1]=4 565 B9R0.2 CC(C)CCSCCCO 62a_100011215043_100000210312 [1,0,0,0,0,0|1,1,1]=4 566 B9R0.2 CC(C)CNCCCCF 2230a_100000210953_100000729493 [1,0,0,0,0,0|3,0,0]=4 567 B9R0.2 CC(C)CNCCCCF 34a_100000210953_100000729493 [1,0,0,0,0,0|3,0,0]=4 568 B9R0.2 CC(C)CNCCCCO 2230a_100000210953_100000210776 [1,0,0,0,0,0|3,0,0]=4 569 B9R0.2 CC(C)CNCCCCO 2230a_100000750430_100000210760 [1,0,0,0,0,0|3,0,0]=4 570 B9R0.2 CC(C)CNCCCCO 270004a_100000750430_100000210432 [1,0,0,0,0,0|3,0,0]=4 571 B9R0.2 CC(C)CNCCCCO 34a_100000210953_100011216708 [1,0,0,0,0,0|3,0,0]=4 572 B9R0.2 CC(C)CNCCCCO 34a_100000750430_100000210624 [1,0,0,0,0,0|3,0,0]=4 573 B9R0.2 CC(C)COCCCCBr 34a_100011216708_100000210624 [1,0,0,0,0,0|3,0,0]=4 574 B9R0.2 CC(C)COCCCCCl 34a_100000210776_100000210624 [1,0,0,0,0,0|3,0,0]=4 575 B9R0.2 CC(C)COCCCCCl 7a_100000210776_100000210760 [1,0,0,0,0,0|3,0,0]=4 576 B9R0.2 CC(C)COCCCCF 34a_100000210257_100000729493 [1,0,0,0,0,0|3,0,0]=4 577 B9R0.2 CC(C)COCCCCF 34a_100011995726_100000210624 [1,0,0,0,0,0|3,0,0]=4 578 B9R0.2 CC(C)COCCCCF 7a_100011995726_100000210760 [1,0,0,0,0,0|3,0,0]=4 579 B9R0.2 CC(C)COCCCCI 34a_200012148704_100000210624 [1,0,0,0,0,0|3,0,0]=4 580 B9R0.2 CC(C)COCCCCN 34a_100000750430_100000210624 [1,0,0,0,0,0|3,0,0]=4 581 B9R0.2 CC(C)COCCCCO 34a_100000210257_100011216708 [1,0,0,0,0,0|3,0,0]=4 582 B9R0.2 CC(C)COCCCN[13CH3] 2230a_100000205972_200025704644 [1,0,0,0,0,0|3,0,0]=4 583 B9R0.2 CC(C)COCCCN[13CH3] 34a_100000205972_200025704644 [1,0,0,0,0,0|3,0,0]=4 584 B9R0.2 CC(C)CSCCCCF 62a_100000210624_100000729493 [1,0,0,0,0,0|3,0,0]=4 585 B9R0.2 CC(C)CSCCCCF 62a_100000729493_100000210760 [1,0,0,0,0,0|3,0,0]=4 586 B9R0.2 CC(C)CSCCCCO 62a_100000210624_100000210776 [1,0,0,0,0,0|3,0,0]=4 587 B9R0.2 CC(C)CSCCCCO 62a_100000210776_100000210760 [1,0,0,0,0,0|3,0,0]=4 588 B9R0.2 CC(C)OCOCCCBr 34a_100011217188_100000709892 [1,0,0,0,0,0|2,0,1]=4 589 B9R0.2 CC(C)OCOCCCCl 34a_100000230001_100000709892 [1,0,0,0,0,0|2,0,1]=4 590 B9R0.2 CC(C)OCOCCCF 34a_100000759539_100000709892 [1,0,0,0,0,0|2,0,1]=4 591 B9R0.2 CC(C)OCOCCCN 34a_100000182051_100000709892 [1,0,0,0,0,0|2,0,1]=4 592 B9R0.2 CC(O)CCOCCCBr 34a_100011217188_100012276601 [1,0,0,0,0,0|2,0,1]=4 593 B9R0.2 CC(O)CCOCCCCl 34a_100000230001_100012276601 [1,0,0,0,0,0|2,0,1]=4 594 B9R0.2 CC(O)CCOCCCF 34a_100000759539_100012276601 [1,0,0,0,0,0|2,0,1]=4 595 B9R0.2 CC(O)CCOCCCN 34a_100000182051_100012276601 [1,0,0,0,0,0|2,0,1]=4 596 B9R0.2 CC=CCOCCC(C)C 34a_100000210254_100000070051 [1,0,0,0,0,0|0,0,3]=4 597 B9R0.2 CC=CCOCCC(C)C 7a_100000210254_100000070051 [1,0,0,0,0,0|0,0,3]=4 598 B9R0.2 CCCC/C=C/CC(=O)C 1458a_200016282684_200000210301 [1,0,0,0,0,0|2,0,1]=4 599 B9R0.2 CCCC/C=C/CC(=O)[13CH3] 1458a_200016282684_200025704644 [1,0,0,0,0,0|2,0,1]=4 600 B9R0.2 CCCCC=NNC(C)C 4a_100000741168_100000210104 [1,0,0,0,0,0|3,0,0]=4 601 B9R0.2 CCCCCCCN(C)C 2230a_100000228206_200000210301 [1,0,0,0,0,0|2,0,1]=4 602 B9R0.2 CCCCCCCN(C)C 2230a_100102631434_100000210681 [1,0,0,0,0,0|2,0,1]=4 603 B9R0.2 CCCCCCCN(C)C 269982a_100000228206_200000210301 [1,0,0,0,0,0|2,0,1]=4 604 B9R0.2 CCCCCCCN(C)C 269982a_100102631434_100000210681 [1,0,0,0,0,0|2,0,1]=4 605 B9R0.2 CCCCCCCN(C)[13CH3] 2230a_100000228206_200025704644 [1,0,0,0,0,0|2,0,1]=4 606 B9R0.2 CCCCCCCN(C)[13CH3] 269982a_100000228206_200025704644 [1,0,0,0,0,0|2,0,1]=4 607 B9R0.2 CCCCCCNC(C)C 2230a_100000210581_100000210206 [1,0,0,0,0,0|2,0,1]=4 608 B9R0.2 CCCCCCNC(C)C 2230a_100138425928_100000210314 [1,0,0,0,0,0|2,0,1]=4 609 B9R0.2 CCCCCCNC(C)C 34a_100138425928_100000210314 [1,0,0,0,0,0|2,0,1]=4 610 B9R0.2 CCCCCCOC(C)C 34a_100000210259_100000210206 [1,0,0,0,0,0|2,0,1]=4 611 B9R0.2 CCCCCCOC(C)C 34a_100000212225_100000210314 [1,0,0,0,0,0|2,0,1]=4 612 B9R0.2 CCCCCCOC(C)C 7a_100000210259_100000210206 [1,0,0,0,0,0|2,0,1]=4 613 B9R0.2 CCCCCCSC(C)C 62a_100000210206_100000210757 [1,0,0,0,0,0|2,0,1]=4 614 B9R0.2 CCCCCCSC(C)C 62a_100000210314_100000210206 [1,0,0,0,0,0|2,0,1]=4 615 B9R0.2 CCCCCNCC(C)C 2230a_100000209983_100000210760 [1,0,0,0,0,0|2,0,0]=3 616 B9R0.2 CCCCCNCC(C)C 2230a_100000210953_100000210326 [1,0,0,0,0,0|2,0,0]=3 617 B9R0.2 CCCCCNCC(C)C 270004a_100000209983_100000210432 [1,0,0,0,0,0|2,0,0]=3 618 B9R0.2 CCCCCNCC(C)C 34a_100000210953_100000718602 [1,0,0,0,0,0|2,0,0]=3 619 B9R0.2 CCCCCNCC(C)O 2230a_100000209983_100011218427 [1,0,0,0,0,0|3,0,0]=4 620 B9R0.2 CCCCCNCC(C)O 2230a_100000210904_100000210326 [1,0,0,0,0,0|3,0,0]=4 621 B9R0.2 CCCCCNCC(C)O 34a_100000210904_100000718602 [1,0,0,0,0,0|3,0,0]=4 622 B9R0.2 CCCCCNC[C@@H](C)O 2230a_100000209983_100009817552 [1,0,0,0,0,0|3,0,0]=4 623 B9R0.2 CCCCCOCC(C)Br 34a_100012180447_100000718602 [1,0,0,0,0,0|3,0,0]=4 624 B9R0.2 CCCCCOCC(C)C 34a_100000210253_100000210624 [1,0,0,0,0,0|2,0,0]=3 625 B9R0.2 CCCCCOCC(C)C 34a_100000210257_100000718602 [1,0,0,0,0,0|2,0,0]=3 626 B9R0.2 CCCCCOCC(C)C 7a_100000210253_100000210760 [1,0,0,0,0,0|2,0,0]=3 627 B9R0.2 CCCCCOCC(C)F 34a_100015925927_100000718602 [1,0,0,0,0,0|3,0,0]=4 628 B9R0.2 CCCCCOCC(C)O 34a_100000210253_100011218427 [1,0,0,0,0,0|3,0,0]=4 629 B9R0.2 CCCCCOCC(C)O 7a_100000210253_100011218427 [1,0,0,0,0,0|3,0,0]=4 630 B9R0.2 CCCCCOC[C@@H](C)Cl 34a_100016084084_100000718602 [1,0,0,0,0,0|3,0,0]=4 631 B9R0.2 CCCCCOC[C@@H](C)N 34a_100000737577_100000718602 [1,0,0,0,0,0|3,0,0]=4 632 B9R0.2 CCCCCOC[C@@H](C)O 34a_100000210253_100009817552 [1,0,0,0,0,0|3,0,0]=4 633 B9R0.2 CCCCCOC[C@@H](C)O 7a_100000210253_100009817552 [1,0,0,0,0,0|3,0,0]=4 634 B9R0.2 CCCCCSCC(C)C 62a_100000210326_100000210760 [1,0,0,0,0,0|2,0,0]=3 635 B9R0.2 CCCCCSCC(C)C 62a_100000210624_100000210326 [1,0,0,0,0,0|2,0,0]=3 636 B9R0.2 CCCCCSCC(C)O 62a_100000210326_100011218427 [1,0,0,0,0,0|3,0,0]=4 637 B9R0.2 CCCCCSCC(C)O 62a_100011218427_100000210326 [1,0,0,0,0,0|3,0,0]=4 638 B9R0.2 CCCCCSC[C@@H](C)O 62a_100000210326_100009817552 [1,0,0,0,0,0|3,0,0]=4 639 B9R0.2 CCCCCSC[C@@H](C)O 62a_100009817552_100000210326 [1,0,0,0,0,0|3,0,0]=4 640 B9R0.2 CCCCNCCC(C)C 2230a_100000102301_100000210312 [1,0,0,0,0,0|1,0,1]=3 641 B9R0.2 CCCCNCCC(C)C 269862a_100000102301_100000185833 [1,0,0,0,0,0|1,0,1]=3 642 B9R0.2 CCCCNCCC(C)C 7a_106832991798_100000210626 [1,0,0,0,0,0|1,0,1]=3 643 B9R0.2 CCCCNCCC(C)O 2230a_100000102301_100012276601 [1,0,0,0,0,0|2,0,1]=4 644 B9R0.2 CCCCNCCC(C)O 2230a_200000755665_100000210211 [1,0,0,0,0,0|2,0,1]=4 645 B9R0.2 CCCCNCCC(C)O 7a_106832991798_100012276601 [1,0,0,0,0,0|2,0,1]=4 646 B9R0.2 CCCCNCCN(C)C 7a_106832991798_100000755713 [1,0,0,0,0,0|2,0,1]=4 647 B9R0.2 CCCCNCOC(C)C 2230a_100000102301_100000709892 [1,0,0,0,0,0|2,0,1]=4 648 B9R0.2 CCCCNN=CC(C)C 4a_100025702795_100000210432 [1,0,0,0,0,0|2,0,1]=4 649 B9R0.2 CCCCOCC=C(C)C 34a_100000210227_100000761012 [1,0,0,0,0,0|0,0,3]=4 650 B9R0.2 CCCCOCC=C(C)C 34a_100000753907_100000210210 [1,0,0,0,0,0|0,0,3]=4 651 B9R0.2 CCCCOCC=C(C)C 7a_100000210227_100000761012 [1,0,0,0,0,0|0,0,3]=4 652 B9R0.2 CCCCOCCC(=O)C 1458a_100000070787_100000743108 [1,0,0,0,0,0|1,0,2]=4 653 B9R0.2 CCCCOCCC(=O)C 34a_100000759926_100000210210 [1,0,0,0,0,0|1,0,2]=4 654 B9R0.2 CCCCOCCC(=O)C 7a_100000210227_100000053229 [1,0,0,0,0,0|1,0,2]=4 655 B9R0.2 CCCCOCCC(=O)C 7a_100000759926_100000210211 [1,0,0,0,0,0|1,0,2]=4 656 B9R0.2 CCCCOCCC(C)Br 34a_100009893172_100000210210 [1,0,0,0,0,0|1,0,1]=3 657 B9R0.2 CCCCOCCC(C)C 34a_100000210227_100000210312 [1,0,0,0,0,0|0,0,1]=2 658 B9R0.2 CCCCOCCC(C)C 34a_100000210254_100000210210 [1,0,0,0,0,0|0,0,1]=2 659 B9R0.2 CCCCOCCC(C)C 7a_100000210227_100000210626 [1,0,0,0,0,0|0,0,1]=2 660 B9R0.2 CCCCOCCC(C)C 7a_100000210254_100000210211 [1,0,0,0,0,0|0,0,1]=2 661 B9R0.2 CCCCOCCC(C)O 34a_100000210227_100012276601 [1,0,0,0,0,0|1,0,1]=3 662 B9R0.2 CCCCOCCC(C)O 7a_100000210227_100012276601 [1,0,0,0,0,0|1,0,1]=3 663 B9R0.2 CCCCOCCC(F)F 34a_100103093639_100000210210 [1,0,0,0,0,0|2,0,1]=4 664 B9R0.2 CCCCOCCN(C)C 2230a_100102631434_100000743108 [1,0,0,0,0,0|1,0,1]=3 665 B9R0.2 CCCCOCCN(C)C 269982a_100102631434_100000743108 [1,0,0,0,0,0|1,0,1]=3 666 B9R0.2 CCCCOCCN(C)C 7a_100000210227_100000755713 [1,0,0,0,0,0|1,0,1]=3 667 B9R0.2 CCCCOCC[C@@H](C)N 34a_100000706166_100000210210 [1,0,0,0,0,0|1,0,1]=3 668 B9R0.2 CCCCOCNC(C)C 2230a_100138425928_100011995733 [1,0,0,0,0,0|1,0,1]=3 669 B9R0.2 CCCCOCNC(C)C 34a_100138425928_100011995733 [1,0,0,0,0,0|1,0,1]=3 670 B9R0.2 CCCCOCOC(C)C 34a_100000210227_100000709892 [1,0,0,0,0,0|1,0,1]=3 671 B9R0.2 CCCCOCOC(C)C 34a_100000212225_100011995733 [1,0,0,0,0,0|1,0,1]=3 672 B9R0.2 CCCCOCSC(C)C 62a_100000210206_100011995733 [1,0,0,0,0,0|1,0,1]=3 673 B9R0.2 CCCCOCSC(C)C 62a_100011995733_100000210206 [1,0,0,0,0,0|1,0,1]=3 674 B9R0.2 CCCCSCCC(C)C 62a_100000210211_100000210312 [1,0,0,0,0,0|0,1,1]=3 675 B9R0.2 CCCCSCCC(C)C 62a_100000210312_100000210210 [1,0,0,0,0,0|0,1,1]=3 676 B9R0.2 CCCCSCCC(C)O 62a_100000210211_100012276601 [1,0,0,0,0,0|1,1,1]=4 677 B9R0.2 CCCCSCCC(C)O 62a_100012276601_100000210210 [1,0,0,0,0,0|1,1,1]=4 678 B9R0.2 CCCCSCCN(C)C 62a_100000210211_100000755713 [1,0,0,0,0,0|1,1,1]=4 679 B9R0.2 CCCCSCOC(C)C 62a_100000210211_100000709892 [1,0,0,0,0,0|1,1,1]=4 680 B9R0.2 CCCCSCOC(C)C 62a_100000709892_100000210210 [1,0,0,0,0,0|1,1,1]=4 681 B9R0.2 CCCNCCCC(C)C 2230a_200000737386_100000210303 [1,0,0,0,0,0|2,0,1]=4 682 B9R0.2 CCCNCCCC(C)C 34a_200000737386_100000210303 [1,0,0,0,0,0|2,0,1]=4 683 B9R0.2 CCCNN=CCC(C)C 4a_100000740057_100000185833 [1,0,0,0,0,0|2,0,0]=3 684 B9R0.2 CCCOCCCC(C)C 34a_100000210258_100011214892 [1,0,0,0,0,0|2,0,1]=4 685 B9R0.2 CCCOCCCC(C)C 34a_100000210774_100000210303 [1,0,0,0,0,0|2,0,1]=4 686 B9R0.2 CCCOCCCC(C)C 7a_100000210774_100000210303 [1,0,0,0,0,0|2,0,1]=4 687 B9R0.2 CCCSCCCC(C)C 62a_100000210303_100011214892 [1,0,0,0,0,0|2,0,1]=4 688 B9R0.2 CCCSCCCC(C)C 62a_100011214892_100000210303 [1,0,0,0,0,0|2,0,1]=4 689 B9R0.2 CCNCCCCC(C)C 2230a_100015525214_100011216152 [1,0,0,0,0,0|2,0,1]=4 690 B9R0.2 CCOCCCCC(C)C 34a_100011214890_100000210202 [1,0,0,0,0,0|2,0,1]=4 691 B9R0.2 CCOCCCCC(C)C 34a_100121572206_100011216152 [1,0,0,0,0,0|2,0,1]=4 692 B9R0.2 CCOCCCCC(C)C 7a_100011214890_100000210202 [1,0,0,0,0,0|2,0,1]=4 693 B9R0.2 CCOCCNCC(C)C 2230a_100000210953_100011215890 [1,0,0,0,0,0|3,0,0]=4 694 B9R0.2 CCOCCNCC(C)C 2230a_102516460346_100000210760 [1,0,0,0,0,0|3,0,0]=4 695 B9R0.2 CCOCCNCC(C)C 270004a_102516460346_100000210432 [1,0,0,0,0,0|3,0,0]=4 696 B9R0.2 CCOCCNCC(C)C 34a_100000210953_100000210147 [1,0,0,0,0,0|3,0,0]=4 697 B9R0.2 CCOCCNCC(C)C 34a_100015185251_100000210202 [1,0,0,0,0,0|3,0,0]=4 698 B9R0.2 CCOCCNCC(C)C 34a_102516460346_100000210624 [1,0,0,0,0,0|3,0,0]=4 699 B9R0.2 CCOCCOCC(C)C 34a_100000210136_100000210624 [1,0,0,0,0,0|3,0,0]=4 700 B9R0.2 CCOCCOCC(C)C 34a_100000210257_100000210147 [1,0,0,0,0,0|3,0,0]=4 701 B9R0.2 CCOCCOCC(C)C 34a_100000703358_100000210202 [1,0,0,0,0,0|3,0,0]=4 702 B9R0.2 CCOCCOCC(C)C 7a_100000210136_100000210760 [1,0,0,0,0,0|3,0,0]=4 703 B9R0.2 CCOCCOCC(C)C 7a_100000703358_100000210202 [1,0,0,0,0,0|3,0,0]=4 704 B9R0.2 CCOCCSCC(C)C 34a_200000230437_100000210202 [1,0,0,0,0,0|3,0,0]=4 705 B9R0.2 CCOCCSCC(C)C 62a_100000210147_100000210760 [1,0,0,0,0,0|3,0,0]=4 706 B9R0.2 CCOCCSCC(C)C 62a_100000210624_100011215890 [1,0,0,0,0,0|3,0,0]=4 707 B9R0.2 CCOCCSCC(C)C 7a_200000230437_100000210202 [1,0,0,0,0,0|3,0,0]=4 708 B9R0.2 CCOCSCCC(C)C 62a_100000210312_100000739092 [1,0,0,0,0,0|1,1,1]=4 709 B9R0.2 CCOCSCCC(C)C 62a_100000739092_100000210312 [1,0,0,0,0,0|1,1,1]=4 710 B9R0.2 CCSCCCCC(C)C 62a_100000210202_100011216152 [1,0,0,0,0,0|2,0,1]=4 711 B9R0.2 CCSCCCCC(C)C 62a_100011216152_100000210202 [1,0,0,0,0,0|2,0,1]=4 712 B9R0.2 CCSCCNCC(C)C 2230a_100000106463_100000210760 [1,0,0,0,0,0|3,0,0]=4 713 B9R0.2 CCSCCNCC(C)C 2230a_100000210953_100000757381 [1,0,0,0,0,0|3,0,0]=4 714 B9R0.2 CCSCCNCC(C)C 270004a_100000106463_100000210432 [1,0,0,0,0,0|3,0,0]=4 715 B9R0.2 CCSCCNCC(C)C 34a_100000210953_100000757381 [1,0,0,0,0,0|3,0,0]=4 716 B9R0.2 CCSCCOCC(C)C 34a_100000210257_100000757381 [1,0,0,0,0,0|3,0,0]=4 717 B9R0.2 CCSCCOCC(C)C 34a_100000212035_100000210624 [1,0,0,0,0,0|3,0,0]=4 718 B9R0.2 CCSCCOCC(C)C 7a_100000212035_100000210760 [1,0,0,0,0,0|3,0,0]=4 719 B9R0.2 CCSCCSCC(C)C 62a_100000210624_100000757381 [1,0,0,0,0,0|3,0,0]=4 720 B9R0.2 CCSCCSCC(C)C 62a_100000757381_100000210760 [1,0,0,0,0,0|3,0,0]=4 721 B9R0.2 CNCCCCCC(C)C 2230a_100011290863_200000210301 [1,0,0,0,0,0|2,0,1]=4 722 B9R0.2 CNCCCCCC(C)C 2230a_106832991635_100000210682 [1,0,0,0,0,0|2,0,1]=4 723 B9R0.2 CNCCCCCC(C)C 34a_100011290863_200000210301 [1,0,0,0,0,0|2,0,1]=4 724 B9R0.2 CNCCCCCC(C)C 34a_100102657272_100000210682 [1,0,0,0,0,0|2,0,1]=4 725 B9R0.2 CNCCCCCC(C)C 7a_106832991635_100000210682 [1,0,0,0,0,0|2,0,1]=4 726 B9R0.2 CNCCCOCC(C)C 2230a_100000205972_200000210301 [1,0,0,0,0,0|3,0,0]=4 727 B9R0.2 CNCCCOCC(C)C 34a_100000205972_200000210301 [1,0,0,0,0,0|3,0,0]=4 728 B9R0.2 CNCCCOCC(C)C 34a_100000213112_100000210624 [1,0,0,0,0,0|3,0,0]=4 729 B9R0.2 COCCCCCC(C)C 34a_100011995859_200000210301 [1,0,0,0,0,0|2,0,1]=4 730 B9R0.2 COCCCCCC(C)C 34a_100138415774_100000210682 [1,0,0,0,0,0|2,0,1]=4 731 B9R0.2 COCCCCCC(C)C 7a_100011995859_200000210301 [1,0,0,0,0,0|2,0,1]=4 732 B9R0.2 COCCCNCC(C)C 2230a_100000210953_100000740836 [1,0,0,0,0,0|3,0,0]=4 733 B9R0.2 COCCCNCC(C)C 270004a_100150723488_100000210432 [1,0,0,0,0,0|3,0,0]=4 734 B9R0.2 COCCCNCC(C)C 34a_100000210953_100000740836 [1,0,0,0,0,0|3,0,0]=4 735 B9R0.2 COCCCNCC(C)C 34a_100150723488_100000210624 [1,0,0,0,0,0|3,0,0]=4 736 B9R0.2 COCCCOCC(C)C 34a_100000210257_100000740836 [1,0,0,0,0,0|3,0,0]=4 737 B9R0.2 COCCCOCC(C)C 34a_100000740835_100000210624 [1,0,0,0,0,0|3,0,0]=4 738 B9R0.2 COCCCSCC(C)C 62a_100000210624_100000709357 [1,0,0,0,0,0|3,0,0]=4 739 B9R0.2 COCCCSCC(C)C 62a_100000709357_100000210760 [1,0,0,0,0,0|3,0,0]=4 740 B9R0.2 COCCNCCC(C)C 2230a_100000209980_100000210312 [1,0,0,0,0,0|2,0,1]=4 741 B9R0.2 COCCNCCC(C)C 269862a_100000209980_100000185833 [1,0,0,0,0,0|2,0,1]=4 742 B9R0.2 COCCOCCC(C)Br 34a_100009893172_100011201679 [1,0,0,0,0,0|2,0,1]=4 743 B9R0.2 COCCOCCC(C)C 34a_100000210237_100000210312 [1,0,0,0,0,0|1,0,1]=3 744 B9R0.2 COCCOCCC(C)C 34a_100000210254_100011201679 [1,0,0,0,0,0|1,0,1]=3 745 B9R0.2 COCCOCCC(C)C 7a_100000210254_100000233755 [1,0,0,0,0,0|1,0,1]=3 746 B9R0.2 COCCOCCC(C)O 34a_100000210237_100012276601 [1,0,0,0,0,0|2,0,1]=4 747 B9R0.2 COCCOCCN(C)C 2230a_100102631434_100000695917 [1,0,0,0,0,0|2,0,1]=4 748 B9R0.2 COCCOCCN(C)C 269982a_100102631434_100000695917 [1,0,0,0,0,0|2,0,1]=4 749 B9R0.2 COCCOCC[C@@H](C)N 34a_100000706166_100011201679 [1,0,0,0,0,0|2,0,1]=4 750 B9R0.2 COCCOCNC(C)C 2230a_100138425928_100000231047 [1,0,0,0,0,0|2,0,1]=4 751 B9R0.2 COCCOCOC(C)C 34a_100000210237_100000709892 [1,0,0,0,0,0|2,0,1]=4 752 B9R0.2 COCCOCSC(C)C 62a_100000210206_100000231047 [1,0,0,0,0,0|2,0,1]=4 753 B9R0.2 COCCOCSC(C)C 62a_100000231047_100000210206 [1,0,0,0,0,0|2,0,1]=4 754 B9R0.2 COCCSCCC(C)C 62a_100000210312_100000233755 [1,0,0,0,0,0|1,1,1]=4 755 B9R0.2 COCCSCCC(C)C 62a_100000233755_100000210312 [1,0,0,0,0,0|1,1,1]=4 756 B9R0.2 CSCCCCCC(C)C 62a_100000210682_200000210301 [1,0,0,0,0,0|2,0,1]=4 757 B9R0.2 CSCCCCCC(C)C 62a_200000210301_100000210682 [1,0,0,0,0,0|2,0,1]=4 758 B9R0.2 CSCCCNCC(C)C 2230a_100000749238_100000210760 [1,0,0,0,0,0|3,0,0]=4 759 B9R0.2 CSCCCNCC(C)C 270004a_100000749238_100000210432 [1,0,0,0,0,0|3,0,0]=4 760 B9R0.2 CSCCCOCC(C)C 34a_100000690336_100000210624 [1,0,0,0,0,0|3,0,0]=4 761 B9R0.2 CSCCCOCC(C)C 7a_100000690336_100000210760 [1,0,0,0,0,0|3,0,0]=4 762 B9R0.2 CSCCNCCC(C)C 2230a_100020590264_100000210312 [1,0,0,0,0,0|2,0,1]=4 763 B9R0.2 CSCCNCCC(C)C 269862a_100020590264_100000185833 [1,0,0,0,0,0|2,0,1]=4 764 B9R0.2 CSCCOCCC(C)Br 34a_100009893172_100000212216 [1,0,0,0,0,0|2,0,1]=4 765 B9R0.2 CSCCOCCC(C)C 34a_100000210254_100000212216 [1,0,0,0,0,0|1,0,1]=3 766 B9R0.2 CSCCOCCC(C)C 34a_100000230434_100000210312 [1,0,0,0,0,0|1,0,1]=3 767 B9R0.2 CSCCOCCC(C)C 7a_100000210254_100000212216 [1,0,0,0,0,0|1,0,1]=3 768 B9R0.2 CSCCOCCC(C)C 7a_100000230434_100000210626 [1,0,0,0,0,0|1,0,1]=3 769 B9R0.2 CSCCOCCC(C)O 34a_100000230434_100012276601 [1,0,0,0,0,0|2,0,1]=4 770 B9R0.2 CSCCOCCC(C)O 7a_100000230434_100012276601 [1,0,0,0,0,0|2,0,1]=4 771 B9R0.2 CSCCOCCN(C)C 7a_100000230434_100000755713 [1,0,0,0,0,0|2,0,1]=4 772 B9R0.2 CSCCOCC[C@@H](C)N 34a_100000706166_100000212216 [1,0,0,0,0,0|2,0,1]=4 773 B9R0.2 CSCCOCOC(C)C 34a_100000230434_100000709892 [1,0,0,0,0,0|2,0,1]=4 774 B9R0.2 CSCCSCCC(C)C 62a_100000210312_100000751147 [1,0,0,0,0,0|1,1,1]=4 775 B9R0.2 CSCCSCCC(C)C 62a_100000212216_100000210312 [1,0,0,0,0,0|1,1,1]=4 776 B9R0.2 C[C@@H](N)CCOCCCF 34a_100000706166_100011934791 [1,0,0,0,0,0|2,0,1]=4 777 B9R0.2 C[C@@H](N)CCOCCCO 34a_100000706166_100000230001 [1,0,0,0,0,0|2,0,1]=4 778 B9R0.4 C#CCCC(=O)CC(C)C 1458a_100000210554_100000753159 [1,0,0,0,0,0|0,0,2]=3 779 B9R0.4 C#CCCC(=O)CC(C)C 1458a_100000692101_100000210624 [1,0,0,0,0,0|0,0,2]=3 780 B9R0.4 C#CCCC(=O)CC(C)O 1458a_100000692101_100011218427 [1,0,0,0,0,0|1,0,2]=4 781 B9R0.4 C#CCCC(=O)CN(C)C 1458a_100000750896_100000753159 [1,0,0,0,0,0|1,0,2]=4 782 B9R0.4 C#CCCC(=O)C[C@@H](C)O 1458a_100011933948_100000753159 [1,0,0,0,0,0|1,0,2]=4 783 B9R0.4 C#CCCC(=O)C[S+](C)C 1458a_200159257847_100000753159 [1,0,0,0,0,0|1,0,2]=4 784 B9R0.4 C#CCCC(=O)NC(C)C 11a_100138425928_100000692101 [1,0,0,0,0,0|1,0,2]=4 785 B9R0.4 C#CCCC(=O)NC(C)C 1626a_100138425928_100000692101 [1,0,0,0,0,0|1,0,2]=4 786 B9R0.4 C#CCCC(=O)NC(C)C 240690a_100138425928_100000692101 [1,0,0,0,0,0|1,0,2]=4 787 B9R0.4 C#CCCC(=O)NC(C)C 527a_100138425928_100000692101 [1,0,0,0,0,0|1,0,2]=4 788 B9R0.4 C#CCNC(=O)CC(C)C 11a_100000212058_100000210554 [1,0,0,0,0,0|1,0,2]=4 789 B9R0.4 C#CCNC(=O)CC(C)C 1626a_100000212058_100000210554 [1,0,0,0,0,0|1,0,2]=4 790 B9R0.4 C#CCNC(=O)CC(C)C 240690a_100000212058_100000210554 [1,0,0,0,0,0|1,0,2]=4 791 B9R0.4 C#CCNC(=O)CC(C)C 527a_100000212058_100000210554 [1,0,0,0,0,0|1,0,2]=4 792 B9R0.4 C/C=C/CC(=O)CC(C)C 1458a_100000210554_100102629194 [1,0,0,0,0,0|0,0,2]=3 793 B9R0.4 C/C=C/CC(=O)CN(C)C 1458a_100000750896_100102629194 [1,0,0,0,0,0|1,0,2]=4 794 B9R0.4 C/C=C/CC(=O)C[C@@H](C)O 1458a_100011933948_100102629194 [1,0,0,0,0,0|1,0,2]=4 795 B9R0.4 C/C=C/CC(=O)C[S+](C)C 1458a_200159257847_100102629194 [1,0,0,0,0,0|1,0,2]=4 796 B9R0.4 C=C(C)CC(=O)CCCC 1458a_100000210183_100000748629 [1,0,0,0,0,0|0,0,2]=3 797 B9R0.4 C=C(C)CC(=O)CCOC 1458a_100000749529_100000748629 [1,0,0,0,0,0|1,0,2]=4 798 B9R0.4 C=C(C)CC(=O)CCSC 1458a_100000174002_100000748629 [1,0,0,0,0,0|1,0,2]=4 799 B9R0.4 C=C(C)CC(=O)COCC 1458a_100000211967_100000748629 [1,0,0,0,0,0|1,0,2]=4 800 B9R0.4 C=C(C)CC(=O)CSCC 1458a_100000230394_100000748629 [1,0,0,0,0,0|1,0,2]=4 801 B9R0.4 C=C(CN(C)C)OCOC 269982a_100102631434_100000042856 [1,0,0,0,0,0|3,0,0]=4 802 B9R0.4 C=C(F)CC(=O)CCCC 1458a_100000210183_100009893438 [1,0,0,0,0,0|1,0,2]=4 803 B9R0.4 C=CCCC(=O)CC(C)C 1458a_100000210554_100000754431 [1,0,0,0,0,0|0,0,2]=3 804 B9R0.4 C=CCCC(=O)CC(C)C 1458a_100000749702_100000210624 [1,0,0,0,0,0|0,0,2]=3 805 B9R0.4 C=CCCC(=O)CC(C)O 1458a_100000749702_100011218427 [1,0,0,0,0,0|1,0,2]=4 806 B9R0.4 C=CCCC(=O)CN(C)C 1458a_100000750896_100000754431 [1,0,0,0,0,0|1,0,2]=4 807 B9R0.4 C=CCCC(=O)C[C@@H](C)O 1458a_100011933948_100000754431 [1,0,0,0,0,0|1,0,2]=4 808 B9R0.4 C=CCCC(=O)C[S+](C)C 1458a_200159257847_100000754431 [1,0,0,0,0,0|1,0,2]=4 809 B9R0.4 C=CCCC(=O)NC(C)C 11a_100138425928_100000749702 [1,0,0,0,0,0|1,0,2]=4 810 B9R0.4 C=CCCC(=O)NC(C)C 1626a_100138425928_100000749702 [1,0,0,0,0,0|1,0,2]=4 811 B9R0.4 C=CCCC(=O)NC(C)C 240690a_100138425928_100000749702 [1,0,0,0,0,0|1,0,2]=4 812 B9R0.4 C=CCCC(=O)NC(C)C 527a_100138425928_100000749702 [1,0,0,0,0,0|1,0,2]=4 813 B9R0.4 C=CCNC(=O)CC(C)C 1626a_100020586998_100000210554 [1,0,0,0,0,0|1,0,2]=4 814 B9R0.4 C=CCNC(=O)CC(C)C 240690a_100020586998_100000210554 [1,0,0,0,0,0|1,0,2]=4 815 B9R0.4 C=CCNC(=O)CC(C)C 527a_100020586998_100000210554 [1,0,0,0,0,0|1,0,2]=4 816 B9R0.4 C=CCOC(=O)CN(C)C 2230a_100102631434_100000033060 [1,0,0,0,0,0|1,0,2]=4 817 B9R0.4 C=CCOC(=O)CN(C)C 269982a_100102631434_100000033060 [1,0,0,0,0,0|1,0,2]=4 818 B9R0.4 CC#CCC(=O)CC(C)C 1458a_100000210554_100000748600 [1,0,0,0,0,0|0,0,2]=3 819 B9R0.4 CC#CCC(=O)CN(C)C 1458a_100000750896_100000748600 [1,0,0,0,0,0|1,0,2]=4 820 B9R0.4 CC#CCC(=O)C[C@@H](C)O 1458a_100011933948_100000748600 [1,0,0,0,0,0|1,0,2]=4 821 B9R0.4 CC#CCC(=O)C[S+](C)C 1458a_200159257847_100000748600 [1,0,0,0,0,0|1,0,2]=4 822 B9R0.4 CC(=CC(=O)CCCF)C 1458a_100000211388_100011934791 [1,0,0,0,0,0|1,0,2]=4 823 B9R0.4 CC(=CC(=O)CCCO)C 1458a_100000211388_100011215043 [1,0,0,0,0,0|1,0,2]=4 824 B9R0.4 CC(C)CC(=O)C#CCO 1458a_100000049017_100000210624 [1,0,0,0,0,0|1,0,2]=4 825 B9R0.4 CC(C)CC(=O)CCC#N 1458a_100000210554_100011215226 [1,0,0,0,0,0|1,0,1]=3 826 B9R0.4 CC(C)CC(=O)CCC#N 1458a_100011934036_100000210624 [1,0,0,0,0,0|1,0,1]=3 827 B9R0.4 CC(C)CC(=O)CCCF 1458a_100000210554_100011934791 [1,0,0,0,0,0|1,0,0]=2 828 B9R0.4 CC(C)CC(=O)CCCO 1458a_100000210554_100011215043 [1,0,0,0,0,0|1,0,0]=2 829 B9R0.4 CC(C)CC(=O)NCC#N 1626a_100000734998_100000210554 [1,0,0,0,0,0|2,0,1]=4 830 B9R0.4 CC(C)CC(=O)NCC#N 527a_100000734998_100000210554 [1,0,0,0,0,0|2,0,1]=4 831 B9R0.4 CC(C)CC(=O)NCCF 11a_100000724931_100000210554 [1,0,0,0,0,0|2,0,0]=3 832 B9R0.4 CC(C)CC(=O)NCCF 1626a_100000724931_100000210554 [1,0,0,0,0,0|2,0,0]=3 833 B9R0.4 CC(C)CC(=O)NCCF 240690a_100000724931_100000210554 [1,0,0,0,0,0|2,0,0]=3 834 B9R0.4 CC(C)CC(=O)NCCF 527a_100000724931_100000210554 [1,0,0,0,0,0|2,0,0]=3 835 B9R0.4 CC(C)CC(=O)NCCO 240690a_100000210304_100000210554 [1,0,0,0,0,0|2,0,0]=3 836 B9R0.4 CC(C)CC(=O)NCCO 527a_100000210304_100000210554 [1,0,0,0,0,0|2,0,0]=3 837 B9R0.4 CC(C)CC(C)OCCBr 34a_100000211926_100000731052 [1,0,0,0,0,0|2,0,1]=4 838 B9R0.4 CC(C)CC(C)OCCF 34a_100000211805_100011217306 [1,0,0,0,0,0|2,0,1]=4 839 B9R0.4 CC(C)CC(C)OCCF 7a_100000211805_100011217306 [1,0,0,0,0,0|2,0,1]=4 840 B9R0.4 CC(C)CC(C)OCCN 34a_100000210304_100000731052 [1,0,0,0,0,0|2,0,1]=4 841 B9R0.4 CC(C)CC(C)OCCO 34a_100000211805_100000211926 [1,0,0,0,0,0|2,0,1]=4 842 B9R0.4 CC(C)CC(C)OCCO 7a_100000211805_100000211926 [1,0,0,0,0,0|2,0,1]=4 843 B9R0.4 CC(C)CN(C)CCCF 2230a_100000747067_100011934791 [1,0,0,0,0,0|3,0,0]=4 844 B9R0.4 CC(C)CN(C)CCCF 269982a_100000747067_100011934791 [1,0,0,0,0,0|3,0,0]=4 845 B9R0.4 CC(C)CN(C)CCCO 2230a_100000213112_100000210760 [1,0,0,0,0,0|3,0,0]=4 846 B9R0.4 CC(C)CN(C)CCCO 2230a_100000747067_100000230001 [1,0,0,0,0,0|3,0,0]=4 847 B9R0.4 CC(C)CN(C)CCCO 269982a_100000213112_100000210624 [1,0,0,0,0,0|3,0,0]=4 848 B9R0.4 CC(C)CN(C)CCCO 269982a_100000747067_100011215043 [1,0,0,0,0,0|3,0,0]=4 849 B9R0.4 CC(C)CN(C)CCCO 270004a_100000213112_100000210432 [1,0,0,0,0,0|3,0,0]=4 850 B9R0.4 CC(C)C[C@H](N)CCO[13CH3] 34a_100161151251_200025704644 [1,0,0,0,0,0|2,0,1]=4 851 B9R0.4 CC(C)NC(=O)CCC#N 11a_100138425928_100011934036 [1,0,0,0,0,0|2,0,1]=4 852 B9R0.4 CC(C)NC(=O)CCC#N 1626a_100138425928_100011934036 [1,0,0,0,0,0|2,0,1]=4 853 B9R0.4 CC(C)NC(=O)CCC#N 240690a_100138425928_100011934036 [1,0,0,0,0,0|2,0,1]=4 854 B9R0.4 CC(C)NC(=O)CCC#N 527a_100138425928_100011934036 [1,0,0,0,0,0|2,0,1]=4 855 B9R0.4 CC(C)NC(=O)CCS[13CH3] 62a_100000737564_200025704644 [1,0,0,0,0,0|2,0,0]=3 856 B9R0.4 CC(C)NC(=O)CCS[13CH3] 62a_200025704644_100000737564 [1,0,0,0,0,0|2,0,0]=3 857 B9R0.4 CC(C)NC(=O)CSCF 62a_100000183996_100015361967 [1,0,0,0,0,0|3,0,0]=4 858 B9R0.4 CC(C)NC(=O)CSCF 62a_100015361967_100000183996 [1,0,0,0,0,0|3,0,0]=4 859 B9R0.4 CC(C)NC(=O)NCCF 2708a_100138425928_100000724931 [1,0,0,0,0,0|3,0,0]=4 860 B9R0.4 CC(C)NC(=O)NCCF 273464a_100138425928_100000724931 [1,0,0,0,0,0|3,0,0]=4 861 B9R0.4 CC(C)NC(=O)NCCF 512a_100138425928_100000724931 [1,0,0,0,0,0|3,0,0]=4 862 B9R0.4 CC(C)NC(=O)NCCO 2708a_100138425928_100000210304 [1,0,0,0,0,0|3,0,0]=4 863 B9R0.4 CC(C)NC(=O)NCCO 273464a_100138425928_100000210304 [1,0,0,0,0,0|3,0,0]=4 864 B9R0.4 CC(C)NC(=O)NCCO 512a_100138425928_100000210304 [1,0,0,0,0,0|3,0,0]=4 865 B9R0.4 CC(C)OC(=O)CCS[13CH3] 62a_100000760027_200025704644 [1,0,0,0,0,0|2,0,0]=3 866 B9R0.4 CC(C)OC(=O)CCS[13CH3] 62a_200025704644_100000760027 [1,0,0,0,0,0|2,0,0]=3 867 B9R0.4 CC(C)OC(=O)CSCF 62a_100011215430_100015361967 [1,0,0,0,0,0|3,0,0]=4 868 B9R0.4 CC(C)OC(=O)CSCF 62a_100015361967_100011215430 [1,0,0,0,0,0|3,0,0]=4 869 B9R0.4 CC(C)OC(=O)OCS[13CH3] 62a_100000003507_200025704644 [1,0,0,0,0,0|2,0,0]=3 870 B9R0.4 CC(C)OC(=O)OCS[13CH3] 62a_200025704644_100000003507 [1,0,0,0,0,0|2,0,0]=3 871 B9R0.4 CC(O)CC(=O)CCC#N 1458a_100011934036_100011218427 [1,0,0,0,0,0|2,0,1]=4 872 B9R0.4 CC=CCC(=O)CC(C)C 1458a_100000210554_100000070051 [1,0,0,0,0,0|0,0,2]=3 873 B9R0.4 CC=CCC(=O)CC(C)C 1458a_100121576822_100000210624 [1,0,0,0,0,0|0,0,2]=3 874 B9R0.4 CC=CCC(=O)CC(C)O 1458a_100121576822_100011218427 [1,0,0,0,0,0|1,0,2]=4 875 B9R0.4 CC=CCC(=O)CN(C)C 1458a_100000750896_100000070051 [1,0,0,0,0,0|1,0,2]=4 876 B9R0.4 CC=CCC(=O)C[C@@H](C)O 1458a_100011933948_100000070051 [1,0,0,0,0,0|1,0,2]=4 877 B9R0.4 CC=CCC(=O)C[S+](C)C 1458a_200159257847_100000070051 [1,0,0,0,0,0|1,0,2]=4 878 B9R0.4 CC=CCC(=O)NC(C)C 11a_100138425928_100121576822 [1,0,0,0,0,0|1,0,2]=4 879 B9R0.4 CC=CCC(=O)NC(C)C 1626a_100138425928_100121576822 [1,0,0,0,0,0|1,0,2]=4 880 B9R0.4 CC=CCC(=O)NC(C)C 240690a_100138425928_100121576822 [1,0,0,0,0,0|1,0,2]=4 881 B9R0.4 CC=CCC(=O)NC(C)C 527a_100138425928_100121576822 [1,0,0,0,0,0|1,0,2]=4 882 B9R0.4 CC=NNC(=O)CC(C)C 4a_100000189787_200000210099 [1,0,0,0,0,0|2,0,1]=4 883 B9R0.4 CCC#CC(=O)CC(C)C 1458a_100011827653_100000210624 [1,0,0,0,0,0|0,0,2]=3 884 B9R0.4 CCC#CC(=O)CC(C)O 1458a_100011827653_100011218427 [1,0,0,0,0,0|1,0,2]=4 885 B9R0.4 CCC=CC(=O)CC(C)C 1458a_100000212282_100000210624 [1,0,0,0,0,0|0,0,2]=3 886 B9R0.4 CCC=CC(=O)CC(C)O 1458a_100000212282_100011218427 [1,0,0,0,0,0|1,0,2]=4 887 B9R0.4 CCC=CC(=O)NC(C)C 11a_100138425928_100000212282 [1,0,0,0,0,0|1,0,2]=4 888 B9R0.4 CCC=CC(=O)NC(C)C 1626a_100138425928_100000212282 [1,0,0,0,0,0|1,0,2]=4 889 B9R0.4 CCC=CC(=O)NC(C)C 240690a_100138425928_100000212282 [1,0,0,0,0,0|1,0,2]=4 890 B9R0.4 CCCCC(=O)C=C(C)C 1458a_100000211388_100000210211 [1,0,0,0,0,0|0,0,2]=3 891 B9R0.4 CCCCC(=O)C=C(C)Cl 1458a_200042562850_100000210211 [1,0,0,0,0,0|1,0,2]=4 892 B9R0.4 CCCCC(=O)C=C(C)I 1458a_100025716642_100000210211 [1,0,0,0,0,0|1,0,2]=4 893 B9R0.4 CCCCC(=O)CC(=O)N 1458a_100000210183_100000187820 [1,0,0,0,0,0|2,0,1]=4 894 B9R0.4 CCCCC(=O)CC(=O)N 1458a_100134613110_100000210211 [1,0,0,0,0,0|2,0,1]=4 895 B9R0.4 CCCCC(=O)CC(=O)[O-] 1458a_100000210183_100020667443 [1,0,0,0,0,0|2,0,1]=4 896 B9R0.4 CCCCC(=O)CC(C)C 1458a_100000210183_100000210624 [1,0,0,0,0,0|0,0,0]=1 897 B9R0.4 CCCCC(=O)CC(C)C 1458a_100000210554_100000210211 [1,0,0,0,0,0|0,0,0]=1 898 B9R0.4 CCCCC(=O)CC(C)O 1458a_100000210183_100011218427 [1,0,0,0,0,0|1,0,0]=2 899 B9R0.4 CCCCC(=O)CC(F)F 1458a_100000210183_100011934356 [1,0,0,0,0,0|2,0,0]=3 900 B9R0.4 CCCCC(=O)CN(C)C 1458a_100000750896_100000210211 [1,0,0,0,0,0|1,0,0]=2 901 B9R0.4 CCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000210211 [1,0,0,0,0,0|1,0,0]=2 902 B9R0.4 CCCCC(=O)C[N+](=O)[O-] 1458a_100000210183_100000761209 [1,0,0,0,0,0|3,0,0]=4 903 B9R0.4 CCCCC(=O)C[S+](C)C 1458a_200159257847_100000210211 [1,0,0,0,0,0|1,0,0]=2 904 B9R0.4 CCCCC(=O)NC(C)C 11a_100138425928_100000210183 [1,0,0,0,0,0|1,0,0]=2 905 B9R0.4 CCCCC(=O)NC(C)C 1626a_100138425928_100000210183 [1,0,0,0,0,0|1,0,0]=2 906 B9R0.4 CCCCC(=O)NC(C)C 240690a_100138425928_100000210183 [1,0,0,0,0,0|1,0,0]=2 907 B9R0.4 CCCCC(=O)NC(C)C 527a_100138425928_100000210183 [1,0,0,0,0,0|1,0,0]=2 908 B9R0.4 CCCCC(C)NC(C)C 2230a_100000126638_100000210206 [1,0,0,0,0,0|2,0,1]=4 909 B9R0.4 CCCCC(C)NC(C)C 2230a_100138425928_200011215066 [1,0,0,0,0,0|2,0,1]=4 910 B9R0.4 CCCCC(C)NC(C)C 34a_100138425928_200011215066 [1,0,0,0,0,0|2,0,1]=4 911 B9R0.4 CCCCC(C)OC(C)C 34a_100000212225_200011215066 [1,0,0,0,0,0|2,0,1]=4 912 B9R0.4 CCCCC(C)OC(C)C 34a_100000687866_100000210206 [1,0,0,0,0,0|2,0,1]=4 913 B9R0.4 CCCCC(C)OC(C)C 7a_100000687866_100000210206 [1,0,0,0,0,0|2,0,1]=4 914 B9R0.4 CCCCC(C)SC(C)C 62a_100000210206_200011215066 [1,0,0,0,0,0|2,0,1]=4 915 B9R0.4 CCCCC(C)SC(C)C 62a_200011215066_100000210206 [1,0,0,0,0,0|2,0,1]=4 916 B9R0.4 CCCCN(C)CC(C)C 2230a_100000207549_100000210760 [1,0,0,0,0,0|2,0,0]=3 917 B9R0.4 CCCCN(C)CC(C)C 2230a_100000747067_100000210211 [1,0,0,0,0,0|2,0,0]=3 918 B9R0.4 CCCCN(C)CC(C)C 269982a_100000207549_100000210624 [1,0,0,0,0,0|2,0,0]=3 919 B9R0.4 CCCCN(C)CC(C)C 269982a_100000747067_100000210211 [1,0,0,0,0,0|2,0,0]=3 920 B9R0.4 CCCCN(C)CC(C)C 270004a_100000207549_100000210432 [1,0,0,0,0,0|2,0,0]=3 921 B9R0.4 CCCCN(C)CC(C)O 2230a_100000207549_100011218427 [1,0,0,0,0,0|3,0,0]=4 922 B9R0.4 CCCCN(C)CC(C)O 2230a_100000227577_100000210211 [1,0,0,0,0,0|3,0,0]=4 923 B9R0.4 CCCCN(C)CC(C)O 269982a_100000207549_100011218427 [1,0,0,0,0,0|3,0,0]=4 924 B9R0.4 CCCCN(C)CC(C)O 269982a_100000227577_100000210211 [1,0,0,0,0,0|3,0,0]=4 925 B9R0.4 CCCCN(C)C[C@@H](C)O 2230a_100000207549_100009817552 [1,0,0,0,0,0|3,0,0]=4 926 B9R0.4 CCCCN(C)C[C@@H](C)O 269982a_100000207549_100009817552 [1,0,0,0,0,0|3,0,0]=4 927 B9R0.4 CCCNC(=O)C=C(C)C 11a_100020643023_100000211388 [1,0,0,0,0,0|1,0,2]=4 928 B9R0.4 CCCNC(=O)C=C(C)C 1626a_100020643023_100000211388 [1,0,0,0,0,0|1,0,2]=4 929 B9R0.4 CCCNC(=O)C=C(C)C 240690a_100020643023_100000211388 [1,0,0,0,0,0|1,0,2]=4 930 B9R0.4 CCCNC(=O)CC(=O)C 1458a_100000070787_100000183358 [1,0,0,0,0,0|2,0,1]=4 931 B9R0.4 CCCNC(=O)CC(C)C 11a_100020643023_100000210554 [1,0,0,0,0,0|1,0,0]=2 932 B9R0.4 CCCNC(=O)CC(C)C 1626a_100020643023_100000210554 [1,0,0,0,0,0|1,0,0]=2 933 B9R0.4 CCCNC(=O)CC(C)C 240690a_100020643023_100000210554 [1,0,0,0,0,0|1,0,0]=2 934 B9R0.4 CCCNC(=O)CC(C)C 527a_100020643023_100000210554 [1,0,0,0,0,0|1,0,0]=2 935 B9R0.4 CCCNC(=O)CN(C)C 11a_100020643023_100000750896 [1,0,0,0,0,0|2,0,0]=3 936 B9R0.4 CCCNC(=O)CN(C)C 2230a_100000684209_200000210301 [1,0,0,0,0,0|2,0,0]=3 937 B9R0.4 CCCNC(=O)CN(C)C 2230a_100102631434_100000183358 [1,0,0,0,0,0|2,0,0]=3 938 B9R0.4 CCCNC(=O)CN(C)C 240690a_100020643023_100000750896 [1,0,0,0,0,0|2,0,0]=3 939 B9R0.4 CCCNC(=O)CN(C)C 269982a_100000684209_200000210301 [1,0,0,0,0,0|2,0,0]=3 940 B9R0.4 CCCNC(=O)CN(C)C 269982a_100102631434_100000183358 [1,0,0,0,0,0|2,0,0]=3 941 B9R0.4 CCCNC(=O)CN(C)C 527a_100020643023_100000750896 [1,0,0,0,0,0|2,0,0]=3 942 B9R0.4 CCCNC(=O)CN(C)[13CH3] 2230a_100000684209_200025704644 [1,0,0,0,0,0|2,0,0]=3 943 B9R0.4 CCCNC(=O)CN(C)[13CH3] 269982a_100000684209_200025704644 [1,0,0,0,0,0|2,0,0]=3 944 B9R0.4 CCCNC(=O)C[C@@H](C)O 240690a_100020643023_100011933948 [1,0,0,0,0,0|2,0,0]=3 945 B9R0.4 CCCNC(=O)C[S+](C)C 11a_100020643023_200159257847 [1,0,0,0,0,0|2,0,0]=3 946 B9R0.4 CCCNC(=O)C[S+](C)C 1626a_100020643023_200159257847 [1,0,0,0,0,0|2,0,0]=3 947 B9R0.4 CCCNC(=O)C[S+](C)C 240690a_100020643023_200159257847 [1,0,0,0,0,0|2,0,0]=3 948 B9R0.4 CCCNC(=O)C[S+](C)C 527a_100020643023_200159257847 [1,0,0,0,0,0|2,0,0]=3 949 B9R0.4 CCCNC(=O)NC(C)C 2708a_100020643023_100138425928 [1,0,0,0,0,0|2,0,0]=3 950 B9R0.4 CCCNC(=O)NC(C)C 2708a_100138425928_100020643023 [1,0,0,0,0,0|2,0,0]=3 951 B9R0.4 CCCNC(=O)NC(C)C 273464a_100138425928_100020643023 [1,0,0,0,0,0|2,0,0]=3 952 B9R0.4 CCCNC(=O)NC(C)C 512a_100020643023_100138425928 [1,0,0,0,0,0|2,0,0]=3 953 B9R0.4 CCCNC(=O)NC(C)C 512a_100138425928_100020643023 [1,0,0,0,0,0|2,0,0]=3 954 B9R0.4 CCCNC(C)CC(C)C 2230a_100000692259_100000210303 [1,0,0,0,0,0|2,0,1]=4 955 B9R0.4 CCCOC(=O)CC(=O)C 1458a_100000070787_200011215008 [1,0,0,0,0,0|1,0,1]=3 956 B9R0.4 CCCOC(=O)CN(C)C 2230a_100102631434_200011215008 [1,0,0,0,0,0|1,0,0]=2 957 B9R0.4 CCCOC(=O)CN(C)C 269982a_100102631434_200011215008 [1,0,0,0,0,0|1,0,0]=2 958 B9R0.4 CCCOC(C)CC(C)C 34a_100000210258_100000731052 [1,0,0,0,0,0|1,0,1]=3 959 B9R0.4 CCCOC(C)CC(C)C 34a_100000211805_100000210303 [1,0,0,0,0,0|1,0,1]=3 960 B9R0.4 CCCOC(C)CC(C)C 7a_100000211805_100000210303 [1,0,0,0,0,0|1,0,1]=3 961 B9R0.4 CCCSC(C)CC(C)C 62a_100000210303_100000731052 [1,0,0,0,0,0|1,1,1]=4 962 B9R0.4 CCCSC(C)CC(C)C 62a_100000731052_100000210303 [1,0,0,0,0,0|1,1,1]=4 963 B9R0.4 CCNCC(=O)NC(C)C 2230a_100000168517_100000210202 [1,0,0,0,0,0|2,0,0]=3 964 B9R0.4 CCNCC(=O)NC(C)C 2230a_100015525214_100000183996 [1,0,0,0,0,0|2,0,0]=3 965 B9R0.4 CCNCC(=O)OC(C)C 2230a_100015525214_100011215430 [1,0,0,0,0,0|2,0,0]=3 966 B9R0.4 CCNNC(=O)CC(C)C 22a_100000756455_100000210554 [1,0,0,0,0,0|2,0,0]=3 967 B9R0.4 CCNNC(=O)CN(C)C 22a_100000756455_100000750896 [1,0,0,0,0,0|3,0,0]=4 968 B9R0.4 CCNNC(=O)C[C@@H](C)O 22a_100000756455_100011933948 [1,0,0,0,0,0|3,0,0]=4 969 B9R0.4 CCNNC(=O)C[S+](C)C 22a_100000756455_200159257847 [1,0,0,0,0,0|3,0,0]=4 970 B9R0.4 CCNNC(=O)NC(C)C 273464a_100138425928_100000756455 [1,0,0,0,0,0|3,0,0]=4 971 B9R0.4 CCNNC(=O)NC(C)C 512a_100000756455_100138425928 [1,0,0,0,0,0|3,0,0]=4 972 B9R0.4 CCNNC(=O)NC(C)C 512a_100138425928_100000756455 [1,0,0,0,0,0|3,0,0]=4 973 B9R0.4 CCOCC(=O)CC(C)C 1458a_100000211967_100000210624 [1,0,0,0,0,0|1,0,0]=2 974 B9R0.4 CCOCC(=O)CC(C)O 1458a_100000211967_100011218427 [1,0,0,0,0,0|2,0,0]=3 975 B9R0.4 CCOCC(=O)CC(F)F 1458a_100000211967_100011934356 [1,0,0,0,0,0|3,0,0]=4 976 B9R0.4 CCOCC(=O)NC(C)C 11a_100138425928_100000211967 [1,0,0,0,0,0|2,0,0]=3 977 B9R0.4 CCOCC(=O)NC(C)C 1626a_100138425928_100000211967 [1,0,0,0,0,0|2,0,0]=3 978 B9R0.4 CCOCC(=O)NC(C)C 240690a_100138425928_100000211967 [1,0,0,0,0,0|2,0,0]=3 979 B9R0.4 CCOCC(=O)NC(C)C 34a_100121572206_100000183996 [1,0,0,0,0,0|2,0,0]=3 980 B9R0.4 CCOCC(=O)NC(C)C 527a_100138425928_100000211967 [1,0,0,0,0,0|2,0,0]=3 981 B9R0.4 CCOCC(=O)OC(C)C 34a_100121572206_100011215430 [1,0,0,0,0,0|2,0,0]=3 982 B9R0.4 CCOCN(C)CC(C)C 269982a_100000747067_100000739092 [1,0,0,0,0,0|3,0,0]=4 983 B9R0.4 CCOC[C@@H](N)CC(C)C 34a_100011830311_100000210202 [1,0,0,0,0,0|2,0,1]=4 984 B9R0.4 CCSCC(=O)CC(C)C 1458a_100000230394_100000210624 [1,0,0,0,0,0|1,0,0]=2 985 B9R0.4 CCSCC(=O)CC(C)O 1458a_100000230394_100011218427 [1,0,0,0,0,0|2,0,0]=3 986 B9R0.4 CCSCC(=O)CC(F)F 1458a_100000230394_100011934356 [1,0,0,0,0,0|3,0,0]=4 987 B9R0.4 CCSCC(=O)NC(C)C 11a_100138425928_100000230394 [1,0,0,0,0,0|2,0,0]=3 988 B9R0.4 CCSCC(=O)NC(C)C 1626a_100138425928_100000230394 [1,0,0,0,0,0|2,0,0]=3 989 B9R0.4 CCSCC(=O)NC(C)C 240690a_100138425928_100000230394 [1,0,0,0,0,0|2,0,0]=3 990 B9R0.4 CCSCC(=O)NC(C)C 527a_100138425928_100000230394 [1,0,0,0,0,0|2,0,0]=3 991 B9R0.4 CCSCC(=O)NC(C)C 62a_100000183996_100000210202 [1,0,0,0,0,0|2,0,0]=3 992 B9R0.4 CCSCC(=O)NC(C)C 62a_100000210202_100000183996 [1,0,0,0,0,0|2,0,0]=3 993 B9R0.4 CCSCC(=O)OC(C)C 62a_100000210202_100011215430 [1,0,0,0,0,0|2,0,0]=3 994 B9R0.4 CCSCC(=O)OC(C)C 62a_100011215430_100000210202 [1,0,0,0,0,0|2,0,0]=3 995 B9R0.4 CN(C)CC(=O)CCC#N 1458a_100000750896_100011215226 [1,0,0,0,0,0|2,0,1]=4 996 B9R0.4 CN(C)CC(=O)CCCF 1458a_100000750896_100011934791 [1,0,0,0,0,0|2,0,0]=3 997 B9R0.4 CN(C)CC(=O)CCCO 1458a_100000750896_100011215043 [1,0,0,0,0,0|2,0,0]=3 998 B9R0.4 CN(C)CC(=O)NCCF 11a_100000724931_100000750896 [1,0,0,0,0,0|3,0,0]=4 999 B9R0.4 CN(C)CC(=O)NCCF 240690a_100000724931_100000750896 [1,0,0,0,0,0|3,0,0]=4 1000 B9R0.4 CN(C)CC(=O)NCCF 527a_100000724931_100000750896 [1,0,0,0,0,0|3,0,0]=4 1001 B9R0.4 CN(C)CC(=O)NCCO 240690a_100000210304_100000750896 [1,0,0,0,0,0|3,0,0]=4 1002 B9R0.4 CN(C)CC(=O)NCCO 527a_100000210304_100000750896 [1,0,0,0,0,0|3,0,0]=4 1003 B9R0.4 CNCCC(=O)NC(C)C 2230a_106832991635_100000737564 [1,0,0,0,0,0|2,0,0]=3 1004 B9R0.4 CNCCC(=O)NC(C)C 7a_106832991635_100000737564 [1,0,0,0,0,0|2,0,0]=3 1005 B9R0.4 CNCCC(=O)OC(C)C 2230a_106832991635_100000760027 [1,0,0,0,0,0|2,0,0]=3 1006 B9R0.4 CNCCC(=O)OC(C)C 7a_106832991635_100000760027 [1,0,0,0,0,0|2,0,0]=3 1007 B9R0.4 COC=CC(=O)CC(C)C 1458a_100016268678_100000210624 [1,0,0,0,0,0|1,0,2]=4 1008 B9R0.4 COCCC(=O)C=C(C)C 1458a_100000211388_100000233755 [1,0,0,0,0,0|1,0,2]=4 1009 B9R0.4 COCCC(=O)CC(C)C 1458a_100000210554_100000233755 [1,0,0,0,0,0|1,0,0]=2 1010 B9R0.4 COCCC(=O)CC(C)C 1458a_100000749529_100000210624 [1,0,0,0,0,0|1,0,0]=2 1011 B9R0.4 COCCC(=O)CC(C)O 1458a_100000749529_100011218427 [1,0,0,0,0,0|2,0,0]=3 1012 B9R0.4 COCCC(=O)CC(F)F 1458a_100000749529_100011934356 [1,0,0,0,0,0|3,0,0]=4 1013 B9R0.4 COCCC(=O)CN(C)C 1458a_100000750896_100000233755 [1,0,0,0,0,0|2,0,0]=3 1014 B9R0.4 COCCC(=O)C[C@@H](C)O 1458a_100011933948_100000233755 [1,0,0,0,0,0|2,0,0]=3 1015 B9R0.4 COCCC(=O)C[S+](C)C 1458a_200159257847_100000233755 [1,0,0,0,0,0|2,0,0]=3 1016 B9R0.4 COCCC(=O)NC(C)C 11a_100138425928_100000749529 [1,0,0,0,0,0|2,0,0]=3 1017 B9R0.4 COCCC(=O)NC(C)C 1626a_100138425928_100000749529 [1,0,0,0,0,0|2,0,0]=3 1018 B9R0.4 COCCC(=O)NC(C)C 240690a_100138425928_100000749529 [1,0,0,0,0,0|2,0,0]=3 1019 B9R0.4 COCCC(=O)NC(C)C 527a_100138425928_100000749529 [1,0,0,0,0,0|2,0,0]=3 1020 B9R0.4 COCCN(C)CC(C)C 2230a_100000743101_100000210760 [1,0,0,0,0,0|3,0,0]=4 1021 B9R0.4 COCCN(C)CC(C)C 2230a_100000747067_100011201679 [1,0,0,0,0,0|3,0,0]=4 1022 B9R0.4 COCCN(C)CC(C)C 269982a_100000743101_100000210624 [1,0,0,0,0,0|3,0,0]=4 1023 B9R0.4 COCCN(C)CC(C)C 269982a_100000747067_100000233755 [1,0,0,0,0,0|3,0,0]=4 1024 B9R0.4 COCCN(C)CC(C)C 270004a_100000743101_100000210432 [1,0,0,0,0,0|3,0,0]=4 1025 B9R0.4 COCC[C@@H](N)CC(C)C 34a_100161151251_200000210301 [1,0,0,0,0,0|2,0,1]=4 1026 B9R0.4 CSCCC(=O)C=C(C)C 1458a_100000211388_100000751147 [1,0,0,0,0,0|1,0,2]=4 1027 B9R0.4 CSCCC(=O)CC(C)C 1458a_100000174002_100000210624 [1,0,0,0,0,0|1,0,0]=2 1028 B9R0.4 CSCCC(=O)CC(C)C 1458a_100000210554_100000751147 [1,0,0,0,0,0|1,0,0]=2 1029 B9R0.4 CSCCC(=O)CC(C)O 1458a_100000174002_100011218427 [1,0,0,0,0,0|2,0,0]=3 1030 B9R0.4 CSCCC(=O)CC(F)F 1458a_100000174002_100011934356 [1,0,0,0,0,0|3,0,0]=4 1031 B9R0.4 CSCCC(=O)CN(C)C 1458a_100000750896_100000751147 [1,0,0,0,0,0|2,0,0]=3 1032 B9R0.4 CSCCC(=O)C[C@@H](C)O 1458a_100011933948_100000751147 [1,0,0,0,0,0|2,0,0]=3 1033 B9R0.4 CSCCC(=O)C[S+](C)C 1458a_200159257847_100000751147 [1,0,0,0,0,0|2,0,0]=3 1034 B9R0.4 CSCCC(=O)NC(C)C 11a_100138425928_100000174002 [1,0,0,0,0,0|2,0,0]=3 1035 B9R0.4 CSCCC(=O)NC(C)C 1626a_100138425928_100000174002 [1,0,0,0,0,0|2,0,0]=3 1036 B9R0.4 CSCCC(=O)NC(C)C 240690a_100138425928_100000174002 [1,0,0,0,0,0|2,0,0]=3 1037 B9R0.4 CSCCC(=O)NC(C)C 527a_100138425928_100000174002 [1,0,0,0,0,0|2,0,0]=3 1038 B9R0.4 CSCCC(=O)NC(C)C 62a_100000737564_200000210301 [1,0,0,0,0,0|2,0,0]=3 1039 B9R0.4 CSCCC(=O)NC(C)C 62a_200000210301_100000737564 [1,0,0,0,0,0|2,0,0]=3 1040 B9R0.4 CSCCC(=O)OC(C)C 62a_100000760027_200000210301 [1,0,0,0,0,0|2,0,0]=3 1041 B9R0.4 CSCCC(=O)OC(C)C 62a_200000210301_100000760027 [1,0,0,0,0,0|2,0,0]=3 1042 B9R0.4 CSCCN(C)CC(C)C 2230a_100000686725_100000210760 [1,0,0,0,0,0|3,0,0]=4 1043 B9R0.4 CSCCN(C)CC(C)C 2230a_100000747067_100000751147 [1,0,0,0,0,0|3,0,0]=4 1044 B9R0.4 CSCCN(C)CC(C)C 269982a_100000686725_100000210624 [1,0,0,0,0,0|3,0,0]=4 1045 B9R0.4 CSCCN(C)CC(C)C 269982a_100000747067_100000212216 [1,0,0,0,0,0|3,0,0]=4 1046 B9R0.4 CSCCN(C)CC(C)C 270004a_100000686725_100000210432 [1,0,0,0,0,0|3,0,0]=4 1047 B9R0.4 CSCOC(=O)OC(C)C 62a_100000003507_200000210301 [1,0,0,0,0,0|2,0,0]=3 1048 B9R0.4 CSCOC(=O)OC(C)C 62a_200000210301_100000003507 [1,0,0,0,0,0|2,0,0]=3 1049 B9R0.4 CSCOC(C)CC(C)C 34a_100000211805_100011218213 [1,0,0,0,0,0|2,0,1]=4 1050 B9R0.4 C[C@@H](O)CC(=O)CCC#N 1458a_100011933948_100011215226 [1,0,0,0,0,0|2,0,1]=4 1051 B9R0.4 C[C@@H](O)CC(=O)CCCF 1458a_100011933948_100011934791 [1,0,0,0,0,0|2,0,0]=3 1052 B9R0.4 C[C@@H](O)CC(=O)CCCO 1458a_100011933948_100011215043 [1,0,0,0,0,0|2,0,0]=3 1053 B9R0.4 C[C@@H](O)CC(=O)NCCF 240690a_100000724931_100011933948 [1,0,0,0,0,0|3,0,0]=4 1054 B9R0.4 C[C@@H](O)CC(=O)NCCO 240690a_100000210304_100011933948 [1,0,0,0,0,0|3,0,0]=4 1055 B9R0.4 C[S+](C)CC(=O)CCC#N 1458a_200159257847_100011215226 [1,0,0,0,0,0|2,0,1]=4 1056 B9R0.4 C[S+](C)CC(=O)CCCF 1458a_200159257847_100011934791 [1,0,0,0,0,0|2,0,0]=3 1057 B9R0.4 C[S+](C)CC(=O)CCCO 1458a_200159257847_100011215043 [1,0,0,0,0,0|2,0,0]=3 1058 B9R0.4 C[S+](C)CC(=O)NCCF 11a_100000724931_200159257847 [1,0,0,0,0,0|3,0,0]=4 1059 B9R0.4 C[S+](C)CC(=O)NCCF 1626a_100000724931_200159257847 [1,0,0,0,0,0|3,0,0]=4 1060 B9R0.4 C[S+](C)CC(=O)NCCF 240690a_100000724931_200159257847 [1,0,0,0,0,0|3,0,0]=4 1061 B9R0.4 C[S+](C)CC(=O)NCCF 527a_100000724931_200159257847 [1,0,0,0,0,0|3,0,0]=4 1062 B9R0.4 C[S+](C)CC(=O)NCCO 240690a_100000210304_200159257847 [1,0,0,0,0,0|3,0,0]=4 1063 B9R0.4 C[S+](C)CC(=O)NCCO 527a_100000210304_200159257847 [1,0,0,0,0,0|3,0,0]=4 1064 B9R0.5 C#CCC(=O)CCCCC 1458a_100000212188_100000184674 [1,0,0,0,0,0|1,0,2]=4 1065 B9R0.5 C#CCC(=O)CCCCC 1458a_100011220946_100000210326 [1,0,0,0,0,0|1,0,2]=4 1066 B9R0.5 C#CCC(=O)NCCCC 1626a_100000102301_100011220946 [1,0,0,0,0,0|1,0,2]=4 1067 B9R0.5 C#CCC(=O)NCCCC 527a_100000102301_100011220946 [1,0,0,0,0,0|1,0,2]=4 1068 B9R0.5 C#CCCCC(=O)CCC 1458a_100000211992_100000731252 [1,0,0,0,0,0|1,0,2]=4 1069 B9R0.5 C#CCCCC(=O)CCC 1458a_100000690238_100000210303 [1,0,0,0,0,0|1,0,2]=4 1070 B9R0.5 C#CCCNC(=O)CCC 11a_100000755551_100000211992 [1,0,0,0,0,0|1,0,2]=4 1071 B9R0.5 C#CCCNC(=O)CCC 1626a_100000755551_100000211992 [1,0,0,0,0,0|1,0,2]=4 1072 B9R0.5 C#CCCNC(=O)CCC 240690a_100000755551_100000211992 [1,0,0,0,0,0|1,0,2]=4 1073 B9R0.5 C#CCCNC(=O)CCC 527a_100000755551_100000211992 [1,0,0,0,0,0|1,0,2]=4 1074 B9R0.5 C=CCC(=O)CCCCC 1458a_100000210193_100000210326 [1,0,0,0,0,0|1,0,2]=4 1075 B9R0.5 C=CCC(=O)CCCCC 1458a_100000212188_100000210623 [1,0,0,0,0,0|1,0,2]=4 1076 B9R0.5 C=CCC(=O)NCCCC 11a_100000102301_100000210193 [1,0,0,0,0,0|1,0,2]=4 1077 B9R0.5 C=CCC(=O)NCCCC 1626a_100000102301_100000210193 [1,0,0,0,0,0|1,0,2]=4 1078 B9R0.5 C=CCC(=O)NCCCC 240690a_100000102301_100000210193 [1,0,0,0,0,0|1,0,2]=4 1079 B9R0.5 C=CCC(=O)NCCCC 527a_100000102301_100000210193 [1,0,0,0,0,0|1,0,2]=4 1080 B9R0.5 C=CCCCC(=O)CCC 1458a_100000211992_100000757094 [1,0,0,0,0,0|1,0,2]=4 1081 B9R0.5 C=CCCCC(=O)CCC 1458a_100000766728_100000210303 [1,0,0,0,0,0|1,0,2]=4 1082 B9R0.5 C=CCCNC(=O)CCC 11a_100015191253_100000211992 [1,0,0,0,0,0|1,0,2]=4 1083 B9R0.5 C=CCCNC(=O)CCC 1626a_100015191253_100000211992 [1,0,0,0,0,0|1,0,2]=4 1084 B9R0.5 C=CCCNC(=O)CCC 240690a_100015191253_100000211992 [1,0,0,0,0,0|1,0,2]=4 1085 B9R0.5 C=CCCNC(=O)CCC 527a_100015191253_100000211992 [1,0,0,0,0,0|1,0,2]=4 1086 B9R0.5 CC#CC(=O)CCCCC 1458a_100000763181_100000210326 [1,0,0,0,0,0|1,0,2]=4 1087 B9R0.5 CC#CCNC(=O)CCC 11a_100000685387_100000211992 [1,0,0,0,0,0|1,0,2]=4 1088 B9R0.5 CC#CCNC(=O)CCC 1626a_100000685387_100000211992 [1,0,0,0,0,0|1,0,2]=4 1089 B9R0.5 CC#CCNC(=O)CCC 527a_100000685387_100000211992 [1,0,0,0,0,0|1,0,2]=4 1090 B9R0.5 CC/C=C/CC(=O)CCC 1458a_100016274230_100000210303 [1,0,0,0,0,0|1,0,2]=4 1091 B9R0.5 CC/C=C\CC(=O)CCC 1458a_100000211992_100103147603 [1,0,0,0,0,0|1,0,2]=4 1092 B9R0.5 CC=CC(=O)CCCCC 1458a_100000210699_100000210326 [1,0,0,0,0,0|1,0,2]=4 1093 B9R0.5 CC=CC(=O)NCCCC 11a_100000102301_100000210699 [1,0,0,0,0,0|1,0,2]=4 1094 B9R0.5 CC=CC(=O)NCCCC 1626a_100000102301_100000210699 [1,0,0,0,0,0|1,0,2]=4 1095 B9R0.5 CC=CC(=O)NCCCC 240690a_100000102301_100000210699 [1,0,0,0,0,0|1,0,2]=4 1096 B9R0.5 CCC#CCC(=O)CCC 1458a_100000211992_100009813939 [1,0,0,0,0,0|1,0,2]=4 1097 B9R0.5 CCC=NNC(=O)CCC 4a_100000189770_100000210100 [1,0,0,0,0,0|2,0,1]=4 1098 B9R0.5 CCCC#CC(=O)CCC 1458a_200011218047_100000210303 [1,0,0,0,0,0|1,0,1]=3 1099 B9R0.5 CCCC#CC(=O)CCF 1458a_200011218047_100011217306 [1,0,0,0,0,0|2,0,1]=4 1100 B9R0.5 CCCC#CC(=O)CCO 1458a_200011218047_100000211926 [1,0,0,0,0,0|2,0,1]=4 1101 B9R0.5 CCCC#CC(=O)NCC 240690a_100015525214_200011218047 [1,0,0,0,0,0|2,0,1]=4 1102 B9R0.5 CCCC(=O)C=CCOC 1458a_100016285016_100000210303 [1,0,0,0,0,0|2,0,1]=4 1103 B9R0.5 CCCC(=O)C=COCC 1458a_100016266692_100000210303 [1,0,0,0,0,0|2,0,1]=4 1104 B9R0.5 CCCC(=O)CCCC#N 1458a_100000075515_100000210303 [1,0,0,0,0,0|2,0,1]=4 1105 B9R0.5 CCCC(=O)CCCC#N 1458a_100000211992_100000211468 [1,0,0,0,0,0|2,0,1]=4 1106 B9R0.5 CCCC(=O)CCCCF 1458a_100000211992_100000729493 [1,0,0,0,0,0|2,0,0]=3 1107 B9R0.5 CCCC(=O)CCCCO 1458a_100000211992_100000210776 [1,0,0,0,0,0|2,0,0]=3 1108 B9R0.5 CCCC(=O)CCCCO 1458a_100000695505_100000210303 [1,0,0,0,0,0|2,0,0]=3 1109 B9R0.5 CCCC(=O)CCCOC 1458a_100000211992_100000740836 [1,0,0,0,0,0|2,0,0]=3 1110 B9R0.5 CCCC(=O)CCCOC 1458a_100000741012_100000210303 [1,0,0,0,0,0|2,0,0]=3 1111 B9R0.5 CCCC(=O)CCCSC 1458a_100000173376_100000210303 [1,0,0,0,0,0|2,0,0]=3 1112 B9R0.5 CCCC(=O)CCOCC 1458a_100000211992_100011215890 [1,0,0,0,0,0|2,0,0]=3 1113 B9R0.5 CCCC(=O)CCOCC 1458a_100000749530_100000210303 [1,0,0,0,0,0|2,0,0]=3 1114 B9R0.5 CCCC(=O)CCSCC 1458a_100000211992_100000757381 [1,0,0,0,0,0|2,0,0]=3 1115 B9R0.5 CCCC(=O)CCSCC 1458a_100000230768_100000210303 [1,0,0,0,0,0|2,0,0]=3 1116 B9R0.5 CCCC(=O)CNCCO 2230a_100016997473_100000747444 [1,0,0,0,0,0|3,0,0]=4 1117 B9R0.5 CCCC(=O)COCCO 1458a_100000708028_100000210303 [1,0,0,0,0,0|3,0,0]=4 1118 B9R0.5 CCCC(=O)CSCCF 62a_100000747444_100011217306 [1,0,0,0,0,0|3,0,0]=4 1119 B9R0.5 CCCC(=O)CSCCF 62a_100011217306_100000747444 [1,0,0,0,0,0|3,0,0]=4 1120 B9R0.5 CCCC(=O)CSCCO 62a_100000211926_100000747444 [1,0,0,0,0,0|3,0,0]=4 1121 B9R0.5 CCCC(=O)CSCCO 62a_100000747444_100000211926 [1,0,0,0,0,0|3,0,0]=4 1122 B9R0.5 CCCC(=O)CSCOC 62a_100000747444_100000766300 [1,0,0,0,0,0|3,0,0]=4 1123 B9R0.5 CCCC(=O)CSCOC 62a_100000766300_100000747444 [1,0,0,0,0,0|3,0,0]=4 1124 B9R0.5 CCCC(=O)CSCSC 62a_100000747444_100011218213 [1,0,0,0,0,0|3,0,0]=4 1125 B9R0.5 CCCC(=O)CSCSC 62a_100011218213_100000747444 [1,0,0,0,0,0|3,0,0]=4 1126 B9R0.5 CCCC(=O)NCCC#N 11a_100000720768_100000211992 [1,0,0,0,0,0|2,0,1]=4 1127 B9R0.5 CCCC(=O)NCCC#N 1626a_100000720768_100000211992 [1,0,0,0,0,0|2,0,1]=4 1128 B9R0.5 CCCC(=O)NCCC#N 240690a_100000720768_100000211992 [1,0,0,0,0,0|2,0,1]=4 1129 B9R0.5 CCCC(=O)NCCC#N 527a_100000720768_100000211992 [1,0,0,0,0,0|2,0,1]=4 1130 B9R0.5 CCCC(=O)NCCCF 11a_100015189416_100000211992 [1,0,0,0,0,0|2,0,0]=3 1131 B9R0.5 CCCC(=O)NCCCF 1626a_100015189416_100000211992 [1,0,0,0,0,0|2,0,0]=3 1132 B9R0.5 CCCC(=O)NCCCF 240690a_100015189416_100000211992 [1,0,0,0,0,0|2,0,0]=3 1133 B9R0.5 CCCC(=O)NCCCF 527a_100015189416_100000211992 [1,0,0,0,0,0|2,0,0]=3 1134 B9R0.5 CCCC(=O)NCCCO 240690a_100000182051_100000211992 [1,0,0,0,0,0|2,0,0]=3 1135 B9R0.5 CCCC(=O)NCCCO 527a_100000182051_100000211992 [1,0,0,0,0,0|2,0,0]=3 1136 B9R0.5 CCCC(=O)NCCOC 1626a_100000209980_100000211992 [1,0,0,0,0,0|2,0,0]=3 1137 B9R0.5 CCCC(=O)NCCOC 240690a_100000209980_100000211992 [1,0,0,0,0,0|2,0,0]=3 1138 B9R0.5 CCCC(=O)NCCOC 527a_100000209980_100000211992 [1,0,0,0,0,0|2,0,0]=3 1139 B9R0.5 CCCC(=O)NCCSC 11a_100020590264_100000211992 [1,0,0,0,0,0|2,0,0]=3 1140 B9R0.5 CCCC(=O)NCCSC 1626a_100020590264_100000211992 [1,0,0,0,0,0|2,0,0]=3 1141 B9R0.5 CCCC(=O)NCCSC 240690a_100020590264_100000211992 [1,0,0,0,0,0|2,0,0]=3 1142 B9R0.5 CCCC(=O)NCCSC 527a_100020590264_100000211992 [1,0,0,0,0,0|2,0,0]=3 1143 B9R0.5 CCCC(=O)NNCCO 22a_100000210001_100000211992 [1,0,0,0,0,0|3,0,0]=4 1144 B9R0.5 CCCC(=O)OCNCC 2230a_100015525214_100000034017 [1,0,0,0,0,0|1,0,0]=2 1145 B9R0.5 CCCC(=O)OCOCC 34a_100121572206_100000034017 [1,0,0,0,0,0|1,0,0]=2 1146 B9R0.5 CCCC(=O)OCSCC 62a_100000210202_100000034017 [1,0,0,0,0,0|1,0,0]=2 1147 B9R0.5 CCCC(=O)OCSCF 62a_100015361967_100000034017 [1,0,0,0,0,0|2,0,0]=3 1148 B9R0.5 CCCC(C)OCCCBr 34a_100011217188_100000766640 [1,0,0,0,0,0|2,0,1]=4 1149 B9R0.5 CCCC(C)OCCCCl 34a_100000230001_100000766640 [1,0,0,0,0,0|2,0,1]=4 1150 B9R0.5 CCCC(C)OCCCF 34a_100000759539_100000766640 [1,0,0,0,0,0|2,0,1]=4 1151 B9R0.5 CCCC(C)OCCCF 34a_100000764384_100011934791 [1,0,0,0,0,0|2,0,1]=4 1152 B9R0.5 CCCC(C)OCCCF 7a_100000764384_100011934791 [1,0,0,0,0,0|2,0,1]=4 1153 B9R0.5 CCCC(C)OCCCN 34a_100000182051_100000766640 [1,0,0,0,0,0|2,0,1]=4 1154 B9R0.5 CCCC(C)OCCCO 34a_100000764384_100000230001 [1,0,0,0,0,0|2,0,1]=4 1155 B9R0.5 CCCC(C)OCCCO 7a_100000764384_100011215043 [1,0,0,0,0,0|2,0,1]=4 1156 B9R0.5 CCCC(C)OCCOC 34a_100000210237_100000766640 [1,0,0,0,0,0|2,0,1]=4 1157 B9R0.5 CCCC(C)OCCOC 34a_100000764384_100011201679 [1,0,0,0,0,0|2,0,1]=4 1158 B9R0.5 CCCC(C)OCCOC 7a_100000764384_100000233755 [1,0,0,0,0,0|2,0,1]=4 1159 B9R0.5 CCCC(C)OCCSC 34a_100000230434_100000766640 [1,0,0,0,0,0|2,0,1]=4 1160 B9R0.5 CCCC(C)OCCSC 34a_100000764384_100000212216 [1,0,0,0,0,0|2,0,1]=4 1161 B9R0.5 CCCC(C)OCCSC 7a_100000230434_100000766640 [1,0,0,0,0,0|2,0,1]=4 1162 B9R0.5 CCCC(C)OCCSC 7a_100000764384_100000212216 [1,0,0,0,0,0|2,0,1]=4 1163 B9R0.5 CCCC=CC(=O)CCC 1458a_100000212230_100000210303 [1,0,0,0,0,0|1,0,1]=3 1164 B9R0.5 CCCC=CC(=O)CCF 1458a_100000212230_100011217306 [1,0,0,0,0,0|2,0,1]=4 1165 B9R0.5 CCCC=CC(=O)CCO 1458a_100000212230_100000211926 [1,0,0,0,0,0|2,0,1]=4 1166 B9R0.5 CCCC=CC(=O)NCC 11a_100015525214_100000212230 [1,0,0,0,0,0|2,0,1]=4 1167 B9R0.5 CCCC=CC(=O)NCC 240690a_100015525214_100000212230 [1,0,0,0,0,0|2,0,1]=4 1168 B9R0.5 CCCCCC(=O)CC#N 1458a_100000212188_100011214920 [1,0,0,0,0,0|2,0,1]=4 1169 B9R0.5 CCCCCC(=O)CC#N 1458a_100051588842_100000210326 [1,0,0,0,0,0|2,0,1]=4 1170 B9R0.5 CCCCCC(=O)CCC 1458a_100000211992_100000210326 [1,0,0,0,0,0|1,0,0]=2 1171 B9R0.5 CCCCCC(=O)CCC 1458a_100000212188_100000210303 [1,0,0,0,0,0|1,0,0]=2 1172 B9R0.5 CCCCCC(=O)CCF 1458a_100000212188_100011217306 [1,0,0,0,0,0|2,0,0]=3 1173 B9R0.5 CCCCCC(=O)CCO 1458a_100000212188_100000211926 [1,0,0,0,0,0|2,0,0]=3 1174 B9R0.5 CCCCCC(=O)CCO 1458a_100011216618_100000210326 [1,0,0,0,0,0|2,0,0]=3 1175 B9R0.5 CCCCCC(=O)CNC 2230a_106832991635_200012276598 [1,0,0,0,0,0|2,0,0]=3 1176 B9R0.5 CCCCCC(=O)CNC 34a_100102657272_200012276598 [1,0,0,0,0,0|2,0,0]=3 1177 B9R0.5 CCCCCC(=O)CNC 7a_106832991635_200012276598 [1,0,0,0,0,0|2,0,0]=3 1178 B9R0.5 CCCCCC(=O)COC 1458a_100000210968_100000210326 [1,0,0,0,0,0|2,0,0]=3 1179 B9R0.5 CCCCCC(=O)COC 34a_100138415774_200012276598 [1,0,0,0,0,0|2,0,0]=3 1180 B9R0.5 CCCCCC(=O)CSC 1458a_100000184570_100000210326 [1,0,0,0,0,0|2,0,0]=3 1181 B9R0.5 CCCCCC(=O)CSC 62a_200000210301_200012276598 [1,0,0,0,0,0|2,0,0]=3 1182 B9R0.5 CCCCCC(=O)CSC 62a_200012276598_200000210301 [1,0,0,0,0,0|2,0,0]=3 1183 B9R0.5 CCCCCC(=O)CS[13CH3] 62a_200012276598_200025704644 [1,0,0,0,0,0|2,0,0]=3 1184 B9R0.5 CCCCCC(=O)CS[13CH3] 62a_200025704644_200012276598 [1,0,0,0,0,0|2,0,0]=3 1185 B9R0.5 CCCCCC(=O)NCC 11a_100015525214_100000212188 [1,0,0,0,0,0|2,0,0]=3 1186 B9R0.5 CCCCCC(=O)NCC 240690a_100015525214_100000212188 [1,0,0,0,0,0|2,0,0]=3 1187 B9R0.5 CCCCCC(=O)NCC 527a_100015525214_100000212188 [1,0,0,0,0,0|2,0,0]=3 1188 B9R0.5 CCCCCC(=O)NNC 22a_100016993582_100000212188 [1,0,0,0,0,0|3,0,0]=4 1189 B9R0.5 CCCCCN(C)CCC 2230a_100000223495_100000210303 [1,0,0,0,0,0|3,0,0]=4 1190 B9R0.5 CCCCCN(C)CCC 2230a_100000747261_100000210326 [1,0,0,0,0,0|3,0,0]=4 1191 B9R0.5 CCCCCN(C)CCC 2230a_200000226819_200000210301 [1,0,0,0,0,0|3,0,0]=4 1192 B9R0.5 CCCCCN(C)CCC 269982a_100000223495_100000210303 [1,0,0,0,0,0|3,0,0]=4 1193 B9R0.5 CCCCCN(C)CCC 269982a_100000747261_100000210215 [1,0,0,0,0,0|3,0,0]=4 1194 B9R0.5 CCCCCN(C)CCC 269982a_200000226819_200000210301 [1,0,0,0,0,0|3,0,0]=4 1195 B9R0.5 CCCCCN([13CH3])CCC 2230a_200000226819_200025704644 [1,0,0,0,0,0|3,0,0]=4 1196 B9R0.5 CCCCCN([13CH3])CCC 269982a_200000226819_200025704644 [1,0,0,0,0,0|3,0,0]=4 1197 B9R0.5 CCCCNC(=O)CC#N 1626a_100000102301_100051588842 [1,0,0,0,0,0|2,0,1]=4 1198 B9R0.5 CCCCNC(=O)CC#N 240690a_100000102301_100051588842 [1,0,0,0,0,0|2,0,1]=4 1199 B9R0.5 CCCCNC(=O)CCC 11a_100000102301_100000211992 [1,0,0,0,0,0|1,0,0]=2 1200 B9R0.5 CCCCNC(=O)CCC 1626a_100000102301_100000211992 [1,0,0,0,0,0|1,0,0]=2 1201 B9R0.5 CCCCNC(=O)CCC 240690a_100000102301_100000211992 [1,0,0,0,0,0|1,0,0]=2 1202 B9R0.5 CCCCNC(=O)CCC 527a_100000102301_100000211992 [1,0,0,0,0,0|1,0,0]=2 1203 B9R0.5 CCCCNC(=O)CCO 240690a_100000102301_100011216618 [1,0,0,0,0,0|2,0,0]=3 1204 B9R0.5 CCCCNC(=O)CNC 2230a_106832991635_100000182744 [1,0,0,0,0,0|2,0,0]=3 1205 B9R0.5 CCCCNC(=O)CNC 34a_100102657272_100000182744 [1,0,0,0,0,0|2,0,0]=3 1206 B9R0.5 CCCCNC(=O)CNC 7a_106832991635_100000182744 [1,0,0,0,0,0|2,0,0]=3 1207 B9R0.5 CCCCNC(=O)COC 11a_100000102301_100000210968 [1,0,0,0,0,0|2,0,0]=3 1208 B9R0.5 CCCCNC(=O)COC 1626a_100000102301_100000210968 [1,0,0,0,0,0|2,0,0]=3 1209 B9R0.5 CCCCNC(=O)COC 240690a_100000102301_100000210968 [1,0,0,0,0,0|2,0,0]=3 1210 B9R0.5 CCCCNC(=O)COC 34a_100138415774_100000182744 [1,0,0,0,0,0|2,0,0]=3 1211 B9R0.5 CCCCNC(=O)COC 527a_100000102301_100000210968 [1,0,0,0,0,0|2,0,0]=3 1212 B9R0.5 CCCCNC(=O)CSC 11a_100000102301_100000184570 [1,0,0,0,0,0|2,0,0]=3 1213 B9R0.5 CCCCNC(=O)CSC 1626a_100000102301_100000184570 [1,0,0,0,0,0|2,0,0]=3 1214 B9R0.5 CCCCNC(=O)CSC 240690a_100000102301_100000184570 [1,0,0,0,0,0|2,0,0]=3 1215 B9R0.5 CCCCNC(=O)CSC 527a_100000102301_100000184570 [1,0,0,0,0,0|2,0,0]=3 1216 B9R0.5 CCCCNC(=O)CSC 62a_100000182744_200000210301 [1,0,0,0,0,0|2,0,0]=3 1217 B9R0.5 CCCCNC(=O)CSC 62a_200000210301_100000182744 [1,0,0,0,0,0|2,0,0]=3 1218 B9R0.5 CCCCNC(=O)CS[13CH3] 62a_100000182744_200025704644 [1,0,0,0,0,0|2,0,0]=3 1219 B9R0.5 CCCCNC(=O)CS[13CH3] 62a_200025704644_100000182744 [1,0,0,0,0,0|2,0,0]=3 1220 B9R0.5 CCCCNC(=O)NCC 2708a_100000102301_100015525214 [1,0,0,0,0,0|2,0,0]=3 1221 B9R0.5 CCCCNC(=O)NCC 2708a_100015525214_100000102301 [1,0,0,0,0,0|2,0,0]=3 1222 B9R0.5 CCCCNC(=O)NCC 273464a_100000102301_100015525214 [1,0,0,0,0,0|2,0,0]=3 1223 B9R0.5 CCCCNC(=O)NCC 273464a_100015525214_100000102301 [1,0,0,0,0,0|2,0,0]=3 1224 B9R0.5 CCCCNC(=O)NCC 512a_100000102301_100015525214 [1,0,0,0,0,0|2,0,0]=3 1225 B9R0.5 CCCCNC(=O)NCC 512a_100015525214_100000102301 [1,0,0,0,0,0|2,0,0]=3 1226 B9R0.5 CCCCNC(=O)NNC 273464a_100000102301_100016993582 [1,0,0,0,0,0|3,0,0]=4 1227 B9R0.5 CCCCNC(=O)NNC 512a_100000102301_100016993582 [1,0,0,0,0,0|3,0,0]=4 1228 B9R0.5 CCCCNC(=O)NNC 512a_100016993582_100000102301 [1,0,0,0,0,0|3,0,0]=4 1229 B9R0.5 CCCCNC(C)CCC 2230a_100000102301_100000766640 [1,0,0,0,0,0|2,0,1]=4 1230 B9R0.5 CCCCNC(C)CCC 2230a_100000741246_100000210211 [1,0,0,0,0,0|2,0,1]=4 1231 B9R0.5 CCCCNC(C)CCC 270004a_100000102301_100000211909 [1,0,0,0,0,0|2,0,1]=4 1232 B9R0.5 CCCCNC(C)CCC 7a_106832991798_100000766640 [1,0,0,0,0,0|2,0,1]=4 1233 B9R0.5 CCCCOC(=O)CNC 2230a_106832991635_100000211628 [1,0,0,0,0,0|1,0,0]=2 1234 B9R0.5 CCCCOC(=O)CNC 34a_100102657272_100000211628 [1,0,0,0,0,0|1,0,0]=2 1235 B9R0.5 CCCCOC(=O)CNC 7a_106832991635_100000211628 [1,0,0,0,0,0|1,0,0]=2 1236 B9R0.5 CCCCOC(=O)COC 34a_100138415774_100000211628 [1,0,0,0,0,0|1,0,0]=2 1237 B9R0.5 CCCCOC(=O)CSC 62a_100000211628_200000210301 [1,0,0,0,0,0|1,0,0]=2 1238 B9R0.5 CCCCOC(=O)CSC 62a_200000210301_100000211628 [1,0,0,0,0,0|1,0,0]=2 1239 B9R0.5 CCCCOC(=O)CS[13CH3] 62a_100000211628_200025704644 [1,0,0,0,0,0|1,0,0]=2 1240 B9R0.5 CCCCOC(=O)CS[13CH3] 62a_200025704644_100000211628 [1,0,0,0,0,0|1,0,0]=2 1241 B9R0.5 CCCCOC(C)CCBr 34a_100012276601_100000210210 [1,0,0,0,0,0|2,0,1]=4 1242 B9R0.5 CCCCOC(C)CCC 34a_100000210227_100000766640 [1,0,0,0,0,0|1,0,1]=3 1243 B9R0.5 CCCCOC(C)CCC 34a_100000764384_100000210210 [1,0,0,0,0,0|1,0,1]=3 1244 B9R0.5 CCCCOC(C)CCC 7a_100000210227_100000766640 [1,0,0,0,0,0|1,0,1]=3 1245 B9R0.5 CCCCOC(C)CCC 7a_100000764384_100000210211 [1,0,0,0,0,0|1,0,1]=3 1246 B9R0.5 CCCCOC(C)CCO 34a_100000210227_100009893172 [1,0,0,0,0,0|2,0,1]=4 1247 B9R0.5 CCCCOC(C)CCO 7a_100000210227_100009893172 [1,0,0,0,0,0|2,0,1]=4 1248 B9R0.5 CCCCOC(C)COC 34a_100000210227_100000765312 [1,0,0,0,0,0|2,0,1]=4 1249 B9R0.5 CCCCOC(C)COC 7a_100000210227_100000765312 [1,0,0,0,0,0|2,0,1]=4 1250 B9R0.5 CCCCO[C@H](C)COC 34a_100011934205_100000210210 [1,0,0,0,0,0|2,0,1]=4 1251 B9R0.5 CCCCSC(C)CCC 62a_100000210211_100000766640 [1,0,0,0,0,0|1,1,1]=4 1252 B9R0.5 CCCCSC(C)CCC 62a_100000766640_100000210210 [1,0,0,0,0,0|1,1,1]=4 1253 B9R0.5 CCCNCC(=O)NCC 2230a_100016988866_100000210303 [1,0,0,0,0,0|3,0,0]=4 1254 B9R0.5 CCCNN=C(C)CCC 4a_100000740057_100000211909 [1,0,0,0,0,0|3,0,0]=4 1255 B9R0.5 CCCNNC(=O)CCC 22a_100000740057_100000211992 [1,0,0,0,0,0|2,0,0]=3 1256 B9R0.5 CCCNNC(=O)CCO 22a_100000740057_100011216618 [1,0,0,0,0,0|3,0,0]=4 1257 B9R0.5 CCCNNC(=O)COC 22a_100000740057_100000210968 [1,0,0,0,0,0|3,0,0]=4 1258 B9R0.5 CCCNNC(=O)CSC 22a_100000740057_100000184570 [1,0,0,0,0,0|3,0,0]=4 1259 B9R0.5 CCCNNC(=O)NCC 273464a_100015525214_100000740057 [1,0,0,0,0,0|3,0,0]=4 1260 B9R0.5 CCCNNC(=O)NCC 512a_100000740057_100015525214 [1,0,0,0,0,0|3,0,0]=4 1261 B9R0.5 CCCNNC(=O)NCC 512a_100015525214_100000740057 [1,0,0,0,0,0|3,0,0]=4 1262 B9R0.5 CCCOCC(=O)CCC 1458a_100000745993_100000210303 [1,0,0,0,0,0|2,0,0]=3 1263 B9R0.5 CCCOCC(=O)CCF 1458a_100000745993_100011217306 [1,0,0,0,0,0|3,0,0]=4 1264 B9R0.5 CCCOCC(=O)CCO 1458a_100000745993_100000211926 [1,0,0,0,0,0|3,0,0]=4 1265 B9R0.5 CCCOCC(=O)NCC 11a_100015525214_100000745993 [1,0,0,0,0,0|3,0,0]=4 1266 B9R0.5 CCCOCC(=O)NCC 240690a_100015525214_100000745993 [1,0,0,0,0,0|3,0,0]=4 1267 B9R0.5 CCCOCC(=O)NCC 34a_100000210258_100000183381 [1,0,0,0,0,0|3,0,0]=4 1268 B9R0.5 CCCOCC(=O)NCC 527a_100015525214_100000745993 [1,0,0,0,0,0|3,0,0]=4 1269 B9R0.5 CCCOCC(=O)OCC 34a_100000210258_100000188475 [1,0,0,0,0,0|3,0,0]=4 1270 B9R0.5 CCCSCC(=O)CCC 1458a_100000217233_100000210303 [1,0,0,0,0,0|2,0,0]=3 1271 B9R0.5 CCCSCC(=O)CCC 62a_100000210303_100000747444 [1,0,0,0,0,0|2,0,0]=3 1272 B9R0.5 CCCSCC(=O)CCC 62a_100000747444_100000210303 [1,0,0,0,0,0|2,0,0]=3 1273 B9R0.5 CCCSCC(=O)CCF 1458a_100000217233_100011217306 [1,0,0,0,0,0|3,0,0]=4 1274 B9R0.5 CCCSCC(=O)CCO 1458a_100000217233_100000211926 [1,0,0,0,0,0|3,0,0]=4 1275 B9R0.5 CCCSCC(=O)NCC 11a_100015525214_100000217233 [1,0,0,0,0,0|3,0,0]=4 1276 B9R0.5 CCCSCC(=O)NCC 240690a_100015525214_100000217233 [1,0,0,0,0,0|3,0,0]=4 1277 B9R0.5 CCCSCC(=O)NCC 527a_100015525214_100000217233 [1,0,0,0,0,0|3,0,0]=4 1278 B9R0.5 CCCSCC(=O)NCC 62a_100000183381_100000210303 [1,0,0,0,0,0|3,0,0]=4 1279 B9R0.5 CCCSCC(=O)NCC 62a_100000210303_100000183381 [1,0,0,0,0,0|3,0,0]=4 1280 B9R0.5 CCCSCC(=O)OCC 62a_100000188475_100000210303 [1,0,0,0,0,0|3,0,0]=4 1281 B9R0.5 CCCSCC(=O)OCC 62a_100000210303_100000188475 [1,0,0,0,0,0|3,0,0]=4 1282 B9R0.5 CCNC(=O)CCCOC 11a_100015525214_100000741012 [1,0,0,0,0,0|3,0,0]=4 1283 B9R0.5 CCNC(=O)CCCOC 240690a_100015525214_100000741012 [1,0,0,0,0,0|3,0,0]=4 1284 B9R0.5 CCNC(=O)CCCOC 527a_100015525214_100000741012 [1,0,0,0,0,0|3,0,0]=4 1285 B9R0.5 CCNC(=O)CCCSC 11a_100015525214_100000173376 [1,0,0,0,0,0|3,0,0]=4 1286 B9R0.5 CCNC(=O)CCCSC 240690a_100015525214_100000173376 [1,0,0,0,0,0|3,0,0]=4 1287 B9R0.5 CCNC(=O)CCCSC 527a_100015525214_100000173376 [1,0,0,0,0,0|3,0,0]=4 1288 B9R0.5 CCNC(=O)CCOCC 11a_100015525214_100000749530 [1,0,0,0,0,0|3,0,0]=4 1289 B9R0.5 CCNC(=O)CCOCC 240690a_100015525214_100000749530 [1,0,0,0,0,0|3,0,0]=4 1290 B9R0.5 CCNC(=O)CCOCC 527a_100015525214_100000749530 [1,0,0,0,0,0|3,0,0]=4 1291 B9R0.5 CCNC(=O)CCSCC 11a_100015525214_100000230768 [1,0,0,0,0,0|3,0,0]=4 1292 B9R0.5 CCNC(=O)CCSCC 240690a_100015525214_100000230768 [1,0,0,0,0,0|3,0,0]=4 1293 B9R0.5 CCNC(=O)CCSCC 527a_100015525214_100000230768 [1,0,0,0,0,0|3,0,0]=4 1294 B9R0.5 CCNC(=O)CCSCC 62a_100000210202_100000737597 [1,0,0,0,0,0|3,0,0]=4 1295 B9R0.5 CCNC(=O)CCSCC 62a_100000737597_100000210202 [1,0,0,0,0,0|3,0,0]=4 1296 B9R0.5 CCNC(=O)NCCCF 2708a_100015189416_100015525214 [1,0,0,0,0,0|3,0,0]=4 1297 B9R0.5 CCNC(=O)NCCCF 2708a_100015525214_100015189416 [1,0,0,0,0,0|3,0,0]=4 1298 B9R0.5 CCNC(=O)NCCCF 273464a_100015189416_100015525214 [1,0,0,0,0,0|3,0,0]=4 1299 B9R0.5 CCNC(=O)NCCCF 273464a_100015525214_100015189416 [1,0,0,0,0,0|3,0,0]=4 1300 B9R0.5 CCNC(=O)NCCCF 512a_100015189416_100015525214 [1,0,0,0,0,0|3,0,0]=4 1301 B9R0.5 CCNC(=O)NCCCF 512a_100015525214_100015189416 [1,0,0,0,0,0|3,0,0]=4 1302 B9R0.5 CCNC(=O)NCCCO 2708a_100015525214_100000182051 [1,0,0,0,0,0|3,0,0]=4 1303 B9R0.5 CCNC(=O)NCCCO 273464a_100000182051_100015525214 [1,0,0,0,0,0|3,0,0]=4 1304 B9R0.5 CCNC(=O)NCCCO 273464a_100015525214_100000182051 [1,0,0,0,0,0|3,0,0]=4 1305 B9R0.5 CCNC(=O)NCCCO 512a_100015525214_100000182051 [1,0,0,0,0,0|3,0,0]=4 1306 B9R0.5 CCNC(=O)NCCOC 2708a_100015525214_100000209980 [1,0,0,0,0,0|3,0,0]=4 1307 B9R0.5 CCNC(=O)NCCOC 273464a_100000209980_100015525214 [1,0,0,0,0,0|3,0,0]=4 1308 B9R0.5 CCNC(=O)NCCOC 273464a_100015525214_100000209980 [1,0,0,0,0,0|3,0,0]=4 1309 B9R0.5 CCNC(=O)NCCSC 2708a_100015525214_100020590264 [1,0,0,0,0,0|3,0,0]=4 1310 B9R0.5 CCNC(=O)NCCSC 2708a_100020590264_100015525214 [1,0,0,0,0,0|3,0,0]=4 1311 B9R0.5 CCNC(=O)NCCSC 273464a_100015525214_100020590264 [1,0,0,0,0,0|3,0,0]=4 1312 B9R0.5 CCNC(=O)NCCSC 273464a_100020590264_100015525214 [1,0,0,0,0,0|3,0,0]=4 1313 B9R0.5 CCNC(=O)NCCSC 512a_100015525214_100020590264 [1,0,0,0,0,0|3,0,0]=4 1314 B9R0.5 CCNC(=O)NCCSC 512a_100020590264_100015525214 [1,0,0,0,0,0|3,0,0]=4 1315 B9R0.5 CCNCCC(=O)NCC 2230a_100015525214_100000737597 [1,0,0,0,0,0|3,0,0]=4 1316 B9R0.5 CCNCCC(=O)NCC 34a_100025743525_100000210202 [1,0,0,0,0,0|3,0,0]=4 1317 B9R0.5 CCNCCC(=O)OCC 2230a_100015525214_100011206558 [1,0,0,0,0,0|3,0,0]=4 1318 B9R0.5 CCOC(=O)CCCNC 2230a_106832991635_100009991533 [1,0,0,0,0,0|3,0,0]=4 1319 B9R0.5 CCOC(=O)CCCNC 34a_100102657272_100009991533 [1,0,0,0,0,0|3,0,0]=4 1320 B9R0.5 CCOC(=O)CCCNC 7a_106832991635_100011215271 [1,0,0,0,0,0|3,0,0]=4 1321 B9R0.5 CCOC(=O)CCCOC 34a_100138415774_100009991533 [1,0,0,0,0,0|3,0,0]=4 1322 B9R0.5 CCOC(=O)CCCOC 7a_100012001163_200000210301 [1,0,0,0,0,0|3,0,0]=4 1323 B9R0.5 CCOC(=O)CCCO[13CH3] 7a_100012001163_200025704644 [1,0,0,0,0,0|3,0,0]=4 1324 B9R0.5 CCOC(=O)CCCSC 62a_100009991533_200000210301 [1,0,0,0,0,0|3,0,0]=4 1325 B9R0.5 CCOC(=O)CCCSC 62a_200000210301_100009991533 [1,0,0,0,0,0|3,0,0]=4 1326 B9R0.5 CCOC(=O)CCCS[13CH3] 62a_100009991533_200025704644 [1,0,0,0,0,0|3,0,0]=4 1327 B9R0.5 CCOC(=O)CCCS[13CH3] 62a_200025704644_100009991533 [1,0,0,0,0,0|3,0,0]=4 1328 B9R0.5 CCOC(=O)CCSCC 62a_100000210202_100000765890 [1,0,0,0,0,0|3,0,0]=4 1329 B9R0.5 CCOC(=O)CCSCC 62a_100000765890_100000210202 [1,0,0,0,0,0|3,0,0]=4 1330 B9R0.5 CCOC(=O)NCCNC 7a_106832991635_200011445536 [1,0,0,0,0,0|3,0,0]=4 1331 B9R0.5 CCOC(=O)NCCOC 34a_100000158857_200000210301 [1,0,0,0,0,0|3,0,0]=4 1332 B9R0.5 CCOC(=O)NCCO[13CH3] 34a_100000158857_200025704644 [1,0,0,0,0,0|3,0,0]=4 1333 B9R0.5 CCOC(=O)NCCSC 62a_200000210301_200011445536 [1,0,0,0,0,0|3,0,0]=4 1334 B9R0.5 CCOC(=O)NCCS[13CH3] 62a_200025704644_200011445536 [1,0,0,0,0,0|3,0,0]=4 1335 B9R0.5 CCOC(=O)OCSCC 62a_100000210202_100000075025 [1,0,0,0,0,0|2,0,0]=3 1336 B9R0.5 CCOC(=O)OCSCF 62a_100015361967_100000075025 [1,0,0,0,0,0|3,0,0]=4 1337 B9R0.5 CCOCCC(=O)CCF 1458a_100000749530_100011217306 [1,0,0,0,0,0|3,0,0]=4 1338 B9R0.5 CCOCCC(=O)CCO 1458a_100000749530_100000211926 [1,0,0,0,0,0|3,0,0]=4 1339 B9R0.5 CCOCCC(=O)CCO 1458a_100011216618_100011215890 [1,0,0,0,0,0|3,0,0]=4 1340 B9R0.5 CCOCCC(=O)COC 1458a_100000210968_100011215890 [1,0,0,0,0,0|3,0,0]=4 1341 B9R0.5 CCOCCC(=O)CSC 1458a_100000184570_100011215890 [1,0,0,0,0,0|3,0,0]=4 1342 B9R0.5 CCOCCC(=O)OCC 34a_100121572206_100000765890 [1,0,0,0,0,0|3,0,0]=4 1343 B9R0.5 CCSCCC(=O)CCF 1458a_100000230768_100011217306 [1,0,0,0,0,0|3,0,0]=4 1344 B9R0.5 CCSCCC(=O)CCO 1458a_100000230768_100000211926 [1,0,0,0,0,0|3,0,0]=4 1345 B9R0.5 CCSCCC(=O)CCO 1458a_100011216618_100000757381 [1,0,0,0,0,0|3,0,0]=4 1346 B9R0.5 CCSCCC(=O)COC 1458a_100000210968_100000757381 [1,0,0,0,0,0|3,0,0]=4 1347 B9R0.5 CCSCCC(=O)CSC 1458a_100000184570_100000757381 [1,0,0,0,0,0|3,0,0]=4 1348 B9R0.5 CNCC(=O)NCCOC 2230a_100000754632_200000210301 [1,0,0,0,0,0|3,0,0]=4 1349 B9R0.5 CNCC(=O)NCCOC 2230a_106832991635_100000183275 [1,0,0,0,0,0|3,0,0]=4 1350 B9R0.5 CNCC(=O)NCCOC 34a_100102657272_100000183275 [1,0,0,0,0,0|3,0,0]=4 1351 B9R0.5 CNCC(=O)NCCOC 7a_106832991635_100000183275 [1,0,0,0,0,0|3,0,0]=4 1352 B9R0.5 CNCC(=O)OCCOC 2230a_106832991635_200000040189 [1,0,0,0,0,0|2,0,0]=3 1353 B9R0.5 CNCC(=O)OCCOC 34a_100102657272_200000040189 [1,0,0,0,0,0|2,0,0]=3 1354 B9R0.5 CNCC(=O)OCCOC 7a_106832991635_200000040189 [1,0,0,0,0,0|2,0,0]=3 1355 B9R0.5 COCC(=O)CCCCF 1458a_100000210968_100000729493 [1,0,0,0,0,0|3,0,0]=4 1356 B9R0.5 COCC(=O)CCCCO 1458a_100000210968_100000210776 [1,0,0,0,0,0|3,0,0]=4 1357 B9R0.5 COCC(=O)NCCCF 11a_100015189416_100000210968 [1,0,0,0,0,0|3,0,0]=4 1358 B9R0.5 COCC(=O)NCCCF 1626a_100015189416_100000210968 [1,0,0,0,0,0|3,0,0]=4 1359 B9R0.5 COCC(=O)NCCCF 240690a_100015189416_100000210968 [1,0,0,0,0,0|3,0,0]=4 1360 B9R0.5 COCC(=O)NCCCF 527a_100015189416_100000210968 [1,0,0,0,0,0|3,0,0]=4 1361 B9R0.5 COCC(=O)NCCCO 240690a_100000182051_100000210968 [1,0,0,0,0,0|3,0,0]=4 1362 B9R0.5 COCC(=O)NCCCO 527a_100000182051_100000210968 [1,0,0,0,0,0|3,0,0]=4 1363 B9R0.5 COCC(=O)NCCSC 11a_100020590264_100000210968 [1,0,0,0,0,0|3,0,0]=4 1364 B9R0.5 COCC(=O)NCCSC 1626a_100020590264_100000210968 [1,0,0,0,0,0|3,0,0]=4 1365 B9R0.5 COCC(=O)NCCSC 240690a_100020590264_100000210968 [1,0,0,0,0,0|3,0,0]=4 1366 B9R0.5 COCC(=O)NCCSC 527a_100020590264_100000210968 [1,0,0,0,0,0|3,0,0]=4 1367 B9R0.5 COCCCC(=O)CCF 1458a_100000741012_100011217306 [1,0,0,0,0,0|3,0,0]=4 1368 B9R0.5 COCCCC(=O)CCO 1458a_100000741012_100000211926 [1,0,0,0,0,0|3,0,0]=4 1369 B9R0.5 COCCCC(=O)CCO 1458a_100011216618_100000740836 [1,0,0,0,0,0|3,0,0]=4 1370 B9R0.5 COCCCC(=O)COC 1458a_100000210968_100000740836 [1,0,0,0,0,0|3,0,0]=4 1371 B9R0.5 COCCCC(=O)CSC 1458a_100000184570_100000740836 [1,0,0,0,0,0|3,0,0]=4 1372 B9R0.5 COCCNC(=O)CCO 240690a_100000209980_100011216618 [1,0,0,0,0,0|3,0,0]=4 1373 B9R0.5 COCCNC(=O)CN[13CH3] 2230a_100000754632_200025704644 [1,0,0,0,0,0|3,0,0]=4 1374 B9R0.5 COCCNC(=O)COC 1626a_100000209980_100000210968 [1,0,0,0,0,0|3,0,0]=4 1375 B9R0.5 COCCNC(=O)COC 240690a_100000209980_100000210968 [1,0,0,0,0,0|3,0,0]=4 1376 B9R0.5 COCCNC(=O)COC 34a_100138415774_100000183275 [1,0,0,0,0,0|3,0,0]=4 1377 B9R0.5 COCCNC(=O)COC 527a_100000209980_100000210968 [1,0,0,0,0,0|3,0,0]=4 1378 B9R0.5 COCCNC(=O)CSC 1626a_100000209980_100000184570 [1,0,0,0,0,0|3,0,0]=4 1379 B9R0.5 COCCNC(=O)CSC 240690a_100000209980_100000184570 [1,0,0,0,0,0|3,0,0]=4 1380 B9R0.5 COCCNC(=O)CSC 527a_100000209980_100000184570 [1,0,0,0,0,0|3,0,0]=4 1381 B9R0.5 COCCNC(=O)CSC 62a_100000183275_200000210301 [1,0,0,0,0,0|3,0,0]=4 1382 B9R0.5 COCCNC(=O)CSC 62a_200000210301_100000183275 [1,0,0,0,0,0|3,0,0]=4 1383 B9R0.5 COCCNC(=O)CS[13CH3] 62a_100000183275_200025704644 [1,0,0,0,0,0|3,0,0]=4 1384 B9R0.5 COCCNC(=O)CS[13CH3] 62a_200025704644_100000183275 [1,0,0,0,0,0|3,0,0]=4 1385 B9R0.5 COCCOC(=O)COC 34a_100138415774_200000040189 [1,0,0,0,0,0|2,0,0]=3 1386 B9R0.5 COCCOC(=O)CSC 62a_200000040189_200000210301 [1,0,0,0,0,0|2,0,0]=3 1387 B9R0.5 COCCOC(=O)CSC 62a_200000210301_200000040189 [1,0,0,0,0,0|2,0,0]=3 1388 B9R0.5 COCCOC(=O)CS[13CH3] 62a_200000040189_200025704644 [1,0,0,0,0,0|2,0,0]=3 1389 B9R0.5 COCCOC(=O)CS[13CH3] 62a_200025704644_200000040189 [1,0,0,0,0,0|2,0,0]=3 1390 B9R0.5 CSCC(=O)CCCCF 1458a_100000184570_100000729493 [1,0,0,0,0,0|3,0,0]=4 1391 B9R0.5 CSCC(=O)CCCCO 1458a_100000184570_100000210776 [1,0,0,0,0,0|3,0,0]=4 1392 B9R0.5 CSCC(=O)NCCCF 11a_100015189416_100000184570 [1,0,0,0,0,0|3,0,0]=4 1393 B9R0.5 CSCC(=O)NCCCF 1626a_100015189416_100000184570 [1,0,0,0,0,0|3,0,0]=4 1394 B9R0.5 CSCC(=O)NCCCF 240690a_100015189416_100000184570 [1,0,0,0,0,0|3,0,0]=4 1395 B9R0.5 CSCC(=O)NCCCF 527a_100015189416_100000184570 [1,0,0,0,0,0|3,0,0]=4 1396 B9R0.5 CSCC(=O)NCCCO 240690a_100000182051_100000184570 [1,0,0,0,0,0|3,0,0]=4 1397 B9R0.5 CSCC(=O)NCCCO 527a_100000182051_100000184570 [1,0,0,0,0,0|3,0,0]=4 1398 B9R0.5 CSCCCC(=O)CCF 1458a_100000173376_100011217306 [1,0,0,0,0,0|3,0,0]=4 1399 B9R0.5 CSCCCC(=O)CCO 1458a_100000173376_100000211926 [1,0,0,0,0,0|3,0,0]=4 1400 B9R0.5 CSCCNC(=O)CCO 240690a_100020590264_100011216618 [1,0,0,0,0,0|3,0,0]=4 1401 B9R0.5 CSCCNC(=O)CSC 11a_100020590264_100000184570 [1,0,0,0,0,0|3,0,0]=4 1402 B9R0.5 CSCCNC(=O)CSC 1626a_100020590264_100000184570 [1,0,0,0,0,0|3,0,0]=4 1403 B9R0.5 CSCCNC(=O)CSC 240690a_100020590264_100000184570 [1,0,0,0,0,0|3,0,0]=4 1404 B9R0.5 CSCCNC(=O)CSC 527a_100020590264_100000184570 [1,0,0,0,0,0|3,0,0]=4 1405 B9R0.5 O=C(CCF)CCCCO 1458a_100000695505_100011217306 [1,0,0,0,0,0|3,0,0]=4 1406 B9R0.5 O=C(CCO)CCCCF 1458a_100011216618_100000729493 [1,0,0,0,0,0|3,0,0]=4 1407 B9R0.5 O=C(CCO)CCCCO 1458a_100000695505_100000211926 [1,0,0,0,0,0|3,0,0]=4 1408 B9R0.5 O=C(CCO)CCCCO 1458a_100011216618_100000210776 [1,0,0,0,0,0|3,0,0]=4 1409 B9R0.5 O=C(CCO)NCCCF 240690a_100015189416_100011216618 [1,0,0,0,0,0|3,0,0]=4 1410 B9R0.5 O=C(CCO)NCCCO 240690a_100000182051_100011216618 [1,0,0,0,0,0|3,0,0]=4 1411 B11R0.1 C=C(C)CC(=O)CC(C)CCC 1458a_100000748435_100000748629 [0,1,0,0,0,0|1,0,2]=4 1412 B11R0.1 C=C(CCC)CC(=O)CC(C)C 1458a_100000138376_100000210624 [0,1,0,0,0,0|1,0,1]=3 1413 B11R0.1 C=C(CCC)CC(=O)CC(C)O 1458a_100000138376_100011218427 [0,1,0,0,0,0|2,0,1]=4 1414 B11R0.1 C=C(CCC)CC(=O)NC(C)C 11a_100138425928_100000138376 [0,1,0,0,0,0|2,0,1]=4 1415 B11R0.1 C=C(CCC)CC(=O)NC(C)C 240690a_100138425928_100000138376 [0,1,0,0,0,0|2,0,1]=4 1416 B11R0.1 C=C(CCC)CC(=O)NC(C)C 527a_100138425928_100000138376 [0,1,0,0,0,0|2,0,1]=4 1417 B11R0.1 CC(C)CC(=O)N[C@@H](C)CC#N 11a_100016994482_100000210554 [0,1,0,0,0,0|2,0,1]=4 1418 B11R0.1 CC(C)CC(=O)N[C@@H](C)CC#N 1626a_100016994482_100000210554 [0,1,0,0,0,0|2,0,1]=4 1419 B11R0.1 CC(C)CC(=O)N[C@@H](C)CC#N 240690a_100016994482_100000210554 [0,1,0,0,0,0|2,0,1]=4 1420 B11R0.1 CC(C)CC(=O)N[C@@H](C)CC#N 527a_100016994482_100000210554 [0,1,0,0,0,0|2,0,1]=4 1421 B11R0.1 CC(C)CC(=O)N[C@H](C)CCO 240690a_100000706166_100000210554 [0,1,0,0,0,0|2,0,0]=3 1422 B11R0.1 CC(C)CC(=O)N[C@H](C)CCO 527a_100000706166_100000210554 [0,1,0,0,0,0|2,0,0]=3 1423 B11R0.1 CC(C)CC(C)OC(C)CCBr 34a_100012276601_100000731052 [0,1,0,0,0,0|2,0,1]=4 1424 B11R0.1 CC(C)CC(C)OC(C)CCO 34a_100000211805_100009893172 [0,1,0,0,0,0|2,0,1]=4 1425 B11R0.1 CC(C)CC(C)OC(C)CCO 7a_100000211805_100009893172 [0,1,0,0,0,0|2,0,1]=4 1426 B11R0.1 CC(C)NC(=O)N[C@H](C)CCO 2708a_100138425928_100000706166 [0,1,0,0,0,0|3,0,0]=4 1427 B11R0.1 CC(C)NC(=O)N[C@H](C)CCO 512a_100000706166_100138425928 [0,1,0,0,0,0|3,0,0]=4 1428 B11R0.1 CC(C)NC(=O)N[C@H](C)CCO 512a_100138425928_100000706166 [0,1,0,0,0,0|3,0,0]=4 1429 B11R0.1 CC(C)OC(=O)OC(C)SCF 62a_100000067433_100015361967 [0,1,0,0,0,0|3,0,0]=4 1430 B11R0.1 CC(C)OC(=O)OC(C)SCF 62a_100015361967_100000067433 [0,1,0,0,0,0|3,0,0]=4 1431 B11R0.1 CCCC(=CC(=O)CC(C)C)C 1458a_100020676950_100000210624 [0,1,0,0,0,0|1,0,1]=3 1432 B11R0.1 CCCC(=CC(=O)CC(C)O)C 1458a_100020676950_100011218427 [0,1,0,0,0,0|2,0,1]=4 1433 B11R0.1 CCCC(=CC(=O)NC(C)C)C 11a_100138425928_100020676950 [0,1,0,0,0,0|2,0,1]=4 1434 B11R0.1 CCCC(=CC(=O)NC(C)C)C 1626a_100138425928_100020676950 [0,1,0,0,0,0|2,0,1]=4 1435 B11R0.1 CCCC(=CC(=O)NC(C)C)C 240690a_100138425928_100020676950 [0,1,0,0,0,0|2,0,1]=4 1436 B11R0.1 CCCC(=O)CC(=O)CC(C)C 1458a_100000210554_100000747444 [0,1,0,0,0,0|1,0,1]=3 1437 B11R0.1 CCCC(=O)CC(=O)CN(C)C 1458a_100000750896_100000747444 [0,1,0,0,0,0|2,0,1]=4 1438 B11R0.1 CCCC(=O)CC(=O)C[C@@H](C)O 1458a_100011933948_100000747444 [0,1,0,0,0,0|2,0,1]=4 1439 B11R0.1 CCCC(=O)CC(=O)C[S+](C)C 1458a_200159257847_100000747444 [0,1,0,0,0,0|2,0,1]=4 1440 B11R0.1 CCCC(=O)CC(=O)NC(C)C 1458a_100000211992_100000183996 [0,1,0,0,0,0|2,0,1]=4 1441 B11R0.1 CCCC(=O)CC(=O)OC(C)C 1458a_100000211992_100011215430 [0,1,0,0,0,0|2,0,1]=4 1442 B11R0.1 CCCC(C)CC(=O)C=C(C)C 1458a_100000211388_100011216630 [0,1,0,0,0,0|1,0,2]=4 1443 B11R0.1 CCCC(C)CC(=O)CC(C)C 1458a_100000210554_100011216630 [0,1,0,0,0,0|1,0,0]=2 1444 B11R0.1 CCCC(C)CC(=O)CC(C)C 1458a_100000748435_100000210624 [0,1,0,0,0,0|1,0,0]=2 1445 B11R0.1 CCCC(C)CC(=O)CC(C)O 1458a_100000748435_100011218427 [0,1,0,0,0,0|2,0,0]=3 1446 B11R0.1 CCCC(C)CC(=O)CC(F)F 1458a_100000748435_100011934356 [0,1,0,0,0,0|3,0,0]=4 1447 B11R0.1 CCCC(C)CC(=O)CN(C)C 1458a_100000750896_100011216630 [0,1,0,0,0,0|2,0,0]=3 1448 B11R0.1 CCCC(C)CC(=O)C[C@@H](C)O 1458a_100011933948_100011216630 [0,1,0,0,0,0|2,0,0]=3 1449 B11R0.1 CCCC(C)CC(=O)C[S+](C)C 1458a_200159257847_100011216630 [0,1,0,0,0,0|2,0,0]=3 1450 B11R0.1 CCCC(C)CC(=O)NC(C)C 11a_100138425928_100000748435 [0,1,0,0,0,0|2,0,0]=3 1451 B11R0.1 CCCC(C)CC(=O)NC(C)C 1626a_100138425928_100000748435 [0,1,0,0,0,0|2,0,0]=3 1452 B11R0.1 CCCC(C)CC(=O)NC(C)C 240690a_100138425928_100000748435 [0,1,0,0,0,0|2,0,0]=3 1453 B11R0.1 CCCC(C)CC(=O)NC(C)C 527a_100138425928_100000748435 [0,1,0,0,0,0|2,0,0]=3 1454 B11R0.1 CCCC(C)CN(C)CC(C)C 2230a_100000747067_100011216630 [0,1,0,0,0,0|3,0,0]=4 1455 B11R0.1 CCCC(C)CN(C)CC(C)C 269982a_100000747067_100011216630 [0,1,0,0,0,0|3,0,0]=4 1456 B11R0.1 CCCC(C)CN(C)CC(C)C 270004a_100000747067_100000243154 [0,1,0,0,0,0|3,0,0]=4 1457 B11R0.1 CCCC(C)NC(=O)C=C(C)C 11a_100000741246_100000211388 [0,1,0,0,0,0|1,0,2]=4 1458 B11R0.1 CCCC(C)NC(=O)C=C(C)C 1626a_100000741246_100000211388 [0,1,0,0,0,0|1,0,2]=4 1459 B11R0.1 CCCC(C)NC(=O)C=C(C)C 240690a_100000741246_100000211388 [0,1,0,0,0,0|1,0,2]=4 1460 B11R0.1 CCCC(C)NC(=O)CC(C)C 11a_100000741246_100000210554 [0,1,0,0,0,0|1,0,0]=2 1461 B11R0.1 CCCC(C)NC(=O)CC(C)C 1626a_100000741246_100000210554 [0,1,0,0,0,0|1,0,0]=2 1462 B11R0.1 CCCC(C)NC(=O)CC(C)C 240690a_100000741246_100000210554 [0,1,0,0,0,0|1,0,0]=2 1463 B11R0.1 CCCC(C)NC(=O)CC(C)C 527a_100000741246_100000210554 [0,1,0,0,0,0|1,0,0]=2 1464 B11R0.1 CCCC(C)NC(=O)CN(C)C 11a_100000741246_100000750896 [0,1,0,0,0,0|2,0,0]=3 1465 B11R0.1 CCCC(C)NC(=O)CN(C)C 240690a_100000741246_100000750896 [0,1,0,0,0,0|2,0,0]=3 1466 B11R0.1 CCCC(C)NC(=O)CN(C)C 527a_100000741246_100000750896 [0,1,0,0,0,0|2,0,0]=3 1467 B11R0.1 CCCC(C)NC(=O)C[C@@H](C)O 240690a_100000741246_100011933948 [0,1,0,0,0,0|2,0,0]=3 1468 B11R0.1 CCCC(C)NC(=O)C[S+](C)C 11a_100000741246_200159257847 [0,1,0,0,0,0|2,0,0]=3 1469 B11R0.1 CCCC(C)NC(=O)C[S+](C)C 1626a_100000741246_200159257847 [0,1,0,0,0,0|2,0,0]=3 1470 B11R0.1 CCCC(C)NC(=O)C[S+](C)C 240690a_100000741246_200159257847 [0,1,0,0,0,0|2,0,0]=3 1471 B11R0.1 CCCC(C)NC(=O)C[S+](C)C 527a_100000741246_200159257847 [0,1,0,0,0,0|2,0,0]=3 1472 B11R0.1 CCCC(C)NC(=O)NC(C)C 2708a_100000741246_100138425928 [0,1,0,0,0,0|2,0,0]=3 1473 B11R0.1 CCCC(C)NC(=O)NC(C)C 2708a_100138425928_100000741246 [0,1,0,0,0,0|2,0,0]=3 1474 B11R0.1 CCCC(C)NC(=O)NC(C)C 512a_100000741246_100138425928 [0,1,0,0,0,0|2,0,0]=3 1475 B11R0.1 CCCC(C)NC(=O)NC(C)C 512a_100138425928_100000741246 [0,1,0,0,0,0|2,0,0]=3 1476 B11R0.1 CCCC(C)NC(C)CC(C)C 2230a_100000692259_100000766640 [0,1,0,0,0,0|2,0,1]=4 1477 B11R0.1 CCCC(C)NC(C)CC(C)C 2230a_100000741246_100000731052 [0,1,0,0,0,0|2,0,1]=4 1478 B11R0.1 CCCC(C)NC(C)CC(C)C 270004a_100000692259_100000211909 [0,1,0,0,0,0|2,0,1]=4 1479 B11R0.1 CCCC(C)OC(C)CC(C)C 34a_100000211805_100000766640 [0,1,0,0,0,0|1,0,1]=3 1480 B11R0.1 CCCC(C)OC(C)CC(C)C 34a_100000764384_100000731052 [0,1,0,0,0,0|1,0,1]=3 1481 B11R0.1 CCCC(C)OC(C)CC(C)C 7a_100000211805_100000766640 [0,1,0,0,0,0|1,0,1]=3 1482 B11R0.1 CCCC(C)OC(C)CC(C)C 7a_100000764384_100000731052 [0,1,0,0,0,0|1,0,1]=3 1483 B11R0.1 CCCC(C)SC(C)CC(C)C 62a_100000731052_100000766640 [0,1,0,0,0,0|1,1,1]=4 1484 B11R0.1 CCCC(C)SC(C)CC(C)C 62a_100000766640_100000731052 [0,1,0,0,0,0|1,1,1]=4 1485 B11R0.1 CCCN(C)CC(=O)NC(C)C 2230a_100000168146_100000210303 [0,1,0,0,0,0|3,0,0]=4 1486 B11R0.1 CCCN(C)CC(=O)NC(C)C 2230a_100000747261_100000183996 [0,1,0,0,0,0|3,0,0]=4 1487 B11R0.1 CCCN(C)CC(=O)NC(C)C 269982a_100000168146_100000210303 [0,1,0,0,0,0|3,0,0]=4 1488 B11R0.1 CCCN(C)CC(=O)NC(C)C 269982a_100000747261_100000183996 [0,1,0,0,0,0|3,0,0]=4 1489 B11R0.1 CCCN(C)CC(=O)OC(C)C 2230a_100000747261_100011215430 [0,1,0,0,0,0|3,0,0]=4 1490 B11R0.1 CCCN(C)CC(=O)OC(C)C 269982a_100000747261_100011215430 [0,1,0,0,0,0|3,0,0]=4 1491 B11R0.1 CCCS(=O)CC(=O)CC(C)C 1458a_100011387404_100000210624 [0,1,0,0,0,0|2,0,0]=3 1492 B11R0.1 CCCS(=O)CC(=O)CC(C)O 1458a_100011387404_100011218427 [0,1,0,0,0,0|3,0,0]=4 1493 B11R0.1 CCCS(=O)CC(=O)NC(C)C 11a_100138425928_100011387404 [0,1,0,0,0,0|3,0,0]=4 1494 B11R0.1 CCCS(=O)CC(=O)NC(C)C 1626a_100138425928_100011387404 [0,1,0,0,0,0|3,0,0]=4 1495 B11R0.1 CCCS(=O)CC(=O)NC(C)C 240690a_100138425928_100011387404 [0,1,0,0,0,0|3,0,0]=4 1496 B11R0.1 CCCS(=O)CC(=O)NC(C)C 527a_100138425928_100011387404 [0,1,0,0,0,0|3,0,0]=4 1497 B11R0.1 CCNC(=O)CC(=O)CC(C)C 1458a_100000210554_100000183381 [0,1,0,0,0,0|2,0,1]=4 1498 B11R0.1 CCOC(=O)CC(=O)CC(C)C 1458a_100000210554_100000188475 [0,1,0,0,0,0|2,0,1]=4 1499 B11R0.1 CCOC(=O)CC(=O)CC(C)C 1458a_100000243816_100000210624 [0,1,0,0,0,0|2,0,1]=4 1500 B11R0.1 CCSC(C)CC(=O)CC(C)C 1458a_200011311441_100000210624 [0,1,0,0,0,0|2,0,0]=3 1501 B11R0.1 CCSC(C)CC(=O)CC(C)O 1458a_200011311441_100011218427 [0,1,0,0,0,0|3,0,0]=4 1502 B11R0.1 CCSC(C)CC(=O)NC(C)C 11a_100138425928_200011311441 [0,1,0,0,0,0|3,0,0]=4 1503 B11R0.1 CCSC(C)CC(=O)NC(C)C 1626a_100138425928_200011311441 [0,1,0,0,0,0|3,0,0]=4 1504 B11R0.1 CCSC(C)CC(=O)NC(C)C 240690a_100138425928_200011311441 [0,1,0,0,0,0|3,0,0]=4 1505 B11R0.1 CCSC(C)CC(=O)NC(C)C 527a_100138425928_200011311441 [0,1,0,0,0,0|3,0,0]=4 1506 B11R0.1 CCSC(C)OC(=O)OC(C)C 62a_100000067433_100000210202 [0,1,0,0,0,0|2,0,0]=3 1507 B11R0.1 CCSC(C)OC(=O)OC(C)C 62a_100000210202_100000067433 [0,1,0,0,0,0|2,0,0]=3 1508 B11R0.1 COCC(C)OC(C)CC(C)C 34a_100000211805_100000765312 [0,1,0,0,0,0|2,0,1]=4 1509 B11R0.1 COCC(C)OC(C)CC(C)C 7a_100000211805_100000765312 [0,1,0,0,0,0|2,0,1]=4 1510 B11R0.1 COC[C@@H](C)NC(=O)CC(C)C 11a_100000764878_100000210554 [0,1,0,0,0,0|2,0,0]=3 1511 B11R0.1 COC[C@@H](C)NC(=O)CC(C)C 1626a_100000764878_100000210554 [0,1,0,0,0,0|2,0,0]=3 1512 B11R0.1 COC[C@@H](C)NC(=O)CC(C)C 240690a_100000764878_100000210554 [0,1,0,0,0,0|2,0,0]=3 1513 B11R0.1 COC[C@@H](C)NC(=O)CC(C)C 527a_100000764878_100000210554 [0,1,0,0,0,0|2,0,0]=3 1514 B11R0.1 COC[C@@H](C)NC(=O)CN(C)C 11a_100000764878_100000750896 [0,1,0,0,0,0|3,0,0]=4 1515 B11R0.1 COC[C@@H](C)NC(=O)CN(C)C 240690a_100000764878_100000750896 [0,1,0,0,0,0|3,0,0]=4 1516 B11R0.1 COC[C@@H](C)NC(=O)CN(C)C 527a_100000764878_100000750896 [0,1,0,0,0,0|3,0,0]=4 1517 B11R0.1 COC[C@@H](C)NC(=O)C[C@@H](C)O 240690a_100000764878_100011933948 [0,1,0,0,0,0|3,0,0]=4 1518 B11R0.1 COC[C@@H](C)NC(=O)C[S+](C)C 11a_100000764878_200159257847 [0,1,0,0,0,0|3,0,0]=4 1519 B11R0.1 COC[C@@H](C)NC(=O)C[S+](C)C 1626a_100000764878_200159257847 [0,1,0,0,0,0|3,0,0]=4 1520 B11R0.1 COC[C@@H](C)NC(=O)C[S+](C)C 240690a_100000764878_200159257847 [0,1,0,0,0,0|3,0,0]=4 1521 B11R0.1 COC[C@@H](C)NC(=O)C[S+](C)C 527a_100000764878_200159257847 [0,1,0,0,0,0|3,0,0]=4 1522 B11R0.1 COC[C@@H](C)NC(=O)NC(C)C 2708a_100000764878_100138425928 [0,1,0,0,0,0|3,0,0]=4 1523 B11R0.1 COC[C@@H](C)NC(=O)NC(C)C 2708a_100138425928_100000764878 [0,1,0,0,0,0|3,0,0]=4 1524 B11R0.1 COC[C@@H](C)NC(=O)NC(C)C 273464a_100138425928_100000764878 [0,1,0,0,0,0|3,0,0]=4 1525 B11R0.1 COC[C@@H](C)NC(=O)NC(C)C 512a_100000764878_100138425928 [0,1,0,0,0,0|3,0,0]=4 1526 B11R0.1 COC[C@@H](C)NC(=O)NC(C)C 512a_100138425928_100000764878 [0,1,0,0,0,0|3,0,0]=4 1527 B11R0.1 COC[C@@H](C)OC(C)CC(C)C 34a_100011934205_100000731052 [0,1,0,0,0,0|2,0,1]=4 1528 B11R0.1 C[C@H](CCO)NC(=O)CN(C)C 240690a_100000706166_100000750896 [0,1,0,0,0,0|3,0,0]=4 1529 B11R0.1 C[C@H](CCO)NC(=O)CN(C)C 527a_100000706166_100000750896 [0,1,0,0,0,0|3,0,0]=4 1530 B11R0.1 C[C@H](CCO)NC(=O)C[C@@H](C)O 240690a_100000706166_100011933948 [0,1,0,0,0,0|3,0,0]=4 1531 B11R0.1 C[C@H](CCO)NC(=O)C[S+](C)C 240690a_100000706166_200159257847 [0,1,0,0,0,0|3,0,0]=4 1532 B11R0.1 C[C@H](CCO)NC(=O)C[S+](C)C 527a_100000706166_200159257847 [0,1,0,0,0,0|3,0,0]=4 1533 B11R0.2 C#CCCCCC(=O)CC(C)C 1458a_100000210554_100010269958 [0,1,0,0,0,0|1,0,1]=3 1534 B11R0.2 C#CCCCCC(=O)CC(C)C 1458a_100000696528_100000210624 [0,1,0,0,0,0|1,0,1]=3 1535 B11R0.2 C#CCCCCC(=O)CC(C)O 1458a_100000696528_100011218427 [0,1,0,0,0,0|2,0,1]=4 1536 B11R0.2 C#CCCCCC(=O)CN(C)C 1458a_100000750896_100010269958 [0,1,0,0,0,0|2,0,1]=4 1537 B11R0.2 C#CCCCCC(=O)C[C@@H](C)O 1458a_100011933948_100010269958 [0,1,0,0,0,0|2,0,1]=4 1538 B11R0.2 C#CCCCCC(=O)C[S+](C)C 1458a_200159257847_100010269958 [0,1,0,0,0,0|2,0,1]=4 1539 B11R0.2 C#CCCCCC(=O)NC(C)C 11a_100138425928_100000696528 [0,1,0,0,0,0|2,0,1]=4 1540 B11R0.2 C#CCCCCC(=O)NC(C)C 1626a_100138425928_100000696528 [0,1,0,0,0,0|2,0,1]=4 1541 B11R0.2 C#CCCCCC(=O)NC(C)C 240690a_100138425928_100000696528 [0,1,0,0,0,0|2,0,1]=4 1542 B11R0.2 C#CCCCCC(=O)NC(C)C 527a_100138425928_100000696528 [0,1,0,0,0,0|2,0,1]=4 1543 B11R0.2 C#CCCCNC(=O)CC(C)C 11a_100000718082_100000210554 [0,1,0,0,0,0|1,0,1]=3 1544 B11R0.2 C#CCCCNC(=O)CC(C)C 1626a_100000718082_100000210554 [0,1,0,0,0,0|1,0,1]=3 1545 B11R0.2 C#CCCCNC(=O)CC(C)C 240690a_100000718082_100000210554 [0,1,0,0,0,0|1,0,1]=3 1546 B11R0.2 C#CCCCNC(=O)CC(C)C 527a_100000718082_100000210554 [0,1,0,0,0,0|1,0,1]=3 1547 B11R0.2 C#CCCCNC(=O)CN(C)C 11a_100000718082_100000750896 [0,1,0,0,0,0|2,0,1]=4 1548 B11R0.2 C#CCCCNC(=O)CN(C)C 240690a_100000718082_100000750896 [0,1,0,0,0,0|2,0,1]=4 1549 B11R0.2 C#CCCCNC(=O)CN(C)C 527a_100000718082_100000750896 [0,1,0,0,0,0|2,0,1]=4 1550 B11R0.2 C#CCCCNC(=O)C[C@@H](C)O 240690a_100000718082_100011933948 [0,1,0,0,0,0|2,0,1]=4 1551 B11R0.2 C#CCCCNC(=O)C[S+](C)C 11a_100000718082_200159257847 [0,1,0,0,0,0|2,0,1]=4 1552 B11R0.2 C#CCCCNC(=O)C[S+](C)C 1626a_100000718082_200159257847 [0,1,0,0,0,0|2,0,1]=4 1553 B11R0.2 C#CCCCNC(=O)C[S+](C)C 240690a_100000718082_200159257847 [0,1,0,0,0,0|2,0,1]=4 1554 B11R0.2 C#CCCCNC(=O)C[S+](C)C 527a_100000718082_200159257847 [0,1,0,0,0,0|2,0,1]=4 1555 B11R0.2 C#CCCCNC(=O)NC(C)C 2708a_100000718082_100138425928 [0,1,0,0,0,0|2,0,1]=4 1556 B11R0.2 C#CCCCNC(=O)NC(C)C 2708a_100138425928_100000718082 [0,1,0,0,0,0|2,0,1]=4 1557 B11R0.2 C#CCCCNC(=O)NC(C)C 273464a_100138425928_100000718082 [0,1,0,0,0,0|2,0,1]=4 1558 B11R0.2 C#CCCCNC(=O)NC(C)C 512a_100000718082_100138425928 [0,1,0,0,0,0|2,0,1]=4 1559 B11R0.2 C#CCCCNC(=O)NC(C)C 512a_100138425928_100000718082 [0,1,0,0,0,0|2,0,1]=4 1560 B11R0.2 C#CCCCOC(C)CC(C)C 34a_100000211805_100000695029 [0,1,0,0,0,0|1,0,2]=4 1561 B11R0.2 C#CCCCOC(C)CC(C)C 34a_100000215630_100000731052 [0,1,0,0,0,0|1,0,2]=4 1562 B11R0.2 C#CCCCOC(C)CC(C)C 7a_100000211805_100011215417 [0,1,0,0,0,0|1,0,2]=4 1563 B11R0.2 C#CCCCOC(C)CC(C)C 7a_100000215630_100000731052 [0,1,0,0,0,0|1,0,2]=4 1564 B11R0.2 C#CCCOCC(=O)NC(C)C 34a_100011215631_100000183996 [0,1,0,0,0,0|1,0,2]=4 1565 B11R0.2 C#CCCOCC(=O)OC(C)C 34a_100011215631_100011215430 [0,1,0,0,0,0|1,0,2]=4 1566 B11R0.2 C#CCOCCC(=O)CC(C)C 1458a_100000210554_100010402529 [0,1,0,0,0,0|1,0,2]=4 1567 B11R0.2 C#CCOCCC(=O)CC(C)C 1458a_100000693358_100000210624 [0,1,0,0,0,0|1,0,2]=4 1568 B11R0.2 C#CCSCOC(=O)OC(C)C 62a_100000038162_100000003507 [0,1,0,0,0,0|1,0,2]=4 1569 B11R0.2 C/C=C/CCOC(C)CC(C)C 34a_100016278192_100000731052 [0,1,0,0,0,0|1,0,2]=4 1570 B11R0.2 C/C=C/COCC(=O)NC(C)C 34a_100016270725_100000183996 [0,1,0,0,0,0|1,0,2]=4 1571 B11R0.2 C/C=C/COCC(=O)OC(C)C 34a_100016270725_100011215430 [0,1,0,0,0,0|1,0,2]=4 1572 B11R0.2 C=C(C)CC(=O)C=CCCCC 1458a_100016266645_100000748629 [0,1,0,0,0,0|1,0,2]=4 1573 B11R0.2 C=C(C)CC(=O)CCCCCC 1458a_100102632555_100000748629 [0,1,0,0,0,0|1,0,2]=4 1574 B11R0.2 C=C(C)CC(=O)CCCCCO 1458a_100102619762_100000748629 [0,1,0,0,0,0|1,0,2]=4 1575 B11R0.2 C=C(C)CC(=O)COCCCC 1458a_100000757543_100000748629 [0,1,0,0,0,0|0,0,2]=3 1576 B11R0.2 C=C(C)CC(=O)COCCOC 1458a_100000211095_100000748629 [0,1,0,0,0,0|1,0,2]=4 1577 B11R0.2 C=C(C)CC(=O)CSCCCC 1458a_100000191162_100000748629 [0,1,0,0,0,0|0,1,2]=4 1578 B11R0.2 C=C(F)CC(=O)COCCCC 1458a_100000757543_100009893438 [0,1,0,0,0,0|1,0,2]=4 1579 B11R0.2 C=CCCCCC(=O)CC(C)C 1458a_100000210554_100011215482 [0,1,0,0,0,0|1,0,1]=3 1580 B11R0.2 C=CCCCCC(=O)CC(C)C 1458a_100011215552_100000210624 [0,1,0,0,0,0|1,0,1]=3 1581 B11R0.2 C=CCCCCC(=O)CC(C)O 1458a_100011215552_100011218427 [0,1,0,0,0,0|2,0,1]=4 1582 B11R0.2 C=CCCCCC(=O)CN(C)C 1458a_100000750896_100011215482 [0,1,0,0,0,0|2,0,1]=4 1583 B11R0.2 C=CCCCCC(=O)C[C@@H](C)O 1458a_100011933948_100011215482 [0,1,0,0,0,0|2,0,1]=4 1584 B11R0.2 C=CCCCCC(=O)C[S+](C)C 1458a_200159257847_100011215482 [0,1,0,0,0,0|2,0,1]=4 1585 B11R0.2 C=CCCCCC(=O)NC(C)C 11a_100138425928_100011215552 [0,1,0,0,0,0|2,0,1]=4 1586 B11R0.2 C=CCCCCC(=O)NC(C)C 1626a_100138425928_100011215552 [0,1,0,0,0,0|2,0,1]=4 1587 B11R0.2 C=CCCCCC(=O)NC(C)C 240690a_100138425928_100011215552 [0,1,0,0,0,0|2,0,1]=4 1588 B11R0.2 C=CCCCCC(=O)NC(C)C 527a_100138425928_100011215552 [0,1,0,0,0,0|2,0,1]=4 1589 B11R0.2 C=CCCCNC(=O)CC(C)C 11a_100000700776_100000210554 [0,1,0,0,0,0|1,0,1]=3 1590 B11R0.2 C=CCCCNC(=O)CC(C)C 1626a_100000700776_100000210554 [0,1,0,0,0,0|1,0,1]=3 1591 B11R0.2 C=CCCCNC(=O)CC(C)C 240690a_100000700776_100000210554 [0,1,0,0,0,0|1,0,1]=3 1592 B11R0.2 C=CCCCNC(=O)CC(C)C 527a_100000700776_100000210554 [0,1,0,0,0,0|1,0,1]=3 1593 B11R0.2 C=CCCCNC(=O)CN(C)C 11a_100000700776_100000750896 [0,1,0,0,0,0|2,0,1]=4 1594 B11R0.2 C=CCCCNC(=O)CN(C)C 240690a_100000700776_100000750896 [0,1,0,0,0,0|2,0,1]=4 1595 B11R0.2 C=CCCCNC(=O)CN(C)C 527a_100000700776_100000750896 [0,1,0,0,0,0|2,0,1]=4 1596 B11R0.2 C=CCCCNC(=O)C[C@@H](C)O 240690a_100000700776_100011933948 [0,1,0,0,0,0|2,0,1]=4 1597 B11R0.2 C=CCCCNC(=O)C[S+](C)C 11a_100000700776_200159257847 [0,1,0,0,0,0|2,0,1]=4 1598 B11R0.2 C=CCCCNC(=O)C[S+](C)C 1626a_100000700776_200159257847 [0,1,0,0,0,0|2,0,1]=4 1599 B11R0.2 C=CCCCNC(=O)C[S+](C)C 240690a_100000700776_200159257847 [0,1,0,0,0,0|2,0,1]=4 1600 B11R0.2 C=CCCCNC(=O)C[S+](C)C 527a_100000700776_200159257847 [0,1,0,0,0,0|2,0,1]=4 1601 B11R0.2 C=CCCCNC(=O)NC(C)C 2708a_100000700776_100138425928 [0,1,0,0,0,0|2,0,1]=4 1602 B11R0.2 C=CCCCNC(=O)NC(C)C 2708a_100138425928_100000700776 [0,1,0,0,0,0|2,0,1]=4 1603 B11R0.2 C=CCCCNC(=O)NC(C)C 273464a_100138425928_100000700776 [0,1,0,0,0,0|2,0,1]=4 1604 B11R0.2 C=CCCCNC(=O)NC(C)C 512a_100000700776_100138425928 [0,1,0,0,0,0|2,0,1]=4 1605 B11R0.2 C=CCCCNC(=O)NC(C)C 512a_100138425928_100000700776 [0,1,0,0,0,0|2,0,1]=4 1606 B11R0.2 C=CCCCOC(C)CC(C)C 34a_100000211805_100000757094 [0,1,0,0,0,0|1,0,2]=4 1607 B11R0.2 C=CCCCOC(C)CC(C)C 34a_100000758997_100000731052 [0,1,0,0,0,0|1,0,2]=4 1608 B11R0.2 C=CCCCOC(C)CC(C)C 7a_100000211805_100000757094 [0,1,0,0,0,0|1,0,2]=4 1609 B11R0.2 C=CCCCOC(C)CC(C)C 7a_100000758997_100000731052 [0,1,0,0,0,0|1,0,2]=4 1610 B11R0.2 C=CCCOCC(=O)NC(C)C 34a_100011205117_100000183996 [0,1,0,0,0,0|1,0,2]=4 1611 B11R0.2 C=CCCOCC(=O)OC(C)C 34a_100011205117_100011215430 [0,1,0,0,0,0|1,0,2]=4 1612 B11R0.2 C=CCOCCC(=O)CC(C)C 1458a_200011217002_100000210624 [0,1,0,0,0,0|1,0,2]=4 1613 B11R0.2 C=CCSCOC(=O)OC(C)C 62a_100000003507_100000210623 [0,1,0,0,0,0|1,0,2]=4 1614 B11R0.2 C=CCSCOC(=O)OC(C)C 62a_100000210623_100000003507 [0,1,0,0,0,0|1,0,2]=4 1615 B11R0.2 CC#CCCOC(C)CC(C)C 34a_100000750427_100000731052 [0,1,0,0,0,0|1,0,2]=4 1616 B11R0.2 CC#CCOCC(=O)NC(C)C 34a_100000761923_100000183996 [0,1,0,0,0,0|1,0,2]=4 1617 B11R0.2 CC#CCOCC(=O)OC(C)C 34a_100000761923_100011215430 [0,1,0,0,0,0|1,0,2]=4 1618 B11R0.2 CC(=CC(=O)CCCCCF)C 1458a_100000211388_100000729378 [0,1,0,0,0,0|1,0,2]=4 1619 B11R0.2 CC(=CC(=O)CCCCCO)C 1458a_100000211388_100000746330 [0,1,0,0,0,0|1,0,2]=4 1620 B11R0.2 CC(=CC(=O)NCCCCO)C 240690a_100000750430_100000211388 [0,1,0,0,0,0|1,0,2]=4 1621 B11R0.2 CC(=O)CC(=O)OCCSCF 62a_100000102702_100015361967 [0,1,0,0,0,0|2,0,1]=4 1622 B11R0.2 CC(=O)CC(=O)OCCSCF 62a_100015361967_100000102702 [0,1,0,0,0,0|2,0,1]=4 1623 B11R0.2 CC(C)CC(=O)CCCCC#N 1458a_100000210554_100000211819 [0,1,0,0,0,0|1,0,1]=3 1624 B11R0.2 CC(C)CC(=O)CCCCCF 1458a_100000210554_100000729378 [0,1,0,0,0,0|1,0,0]=2 1625 B11R0.2 CC(C)CC(=O)CCCCCO 1458a_100000210554_100000746330 [0,1,0,0,0,0|1,0,0]=2 1626 B11R0.2 CC(C)CC(=O)CCCCCO 1458a_100102619762_100000210624 [0,1,0,0,0,0|1,0,0]=2 1627 B11R0.2 CC(C)CC(=O)CCCN=[N+]=[N-] 1458a_100010262590_100000210624 [0,1,0,0,0,0|3,0,0]=4 1628 B11R0.2 CC(C)CC(=O)CCOCC#N 1458a_100000210554_200000047693 [0,1,0,0,0,0|2,0,1]=4 1629 B11R0.2 CC(C)CC(=O)CCOCCO 1458a_100000210554_100011215305 [0,1,0,0,0,0|2,0,0]=3 1630 B11R0.2 CC(C)CC(=O)CCOCCO 1458a_100011229844_100000210624 [0,1,0,0,0,0|2,0,0]=3 1631 B11R0.2 CC(C)CC(=O)NCCCCO 240690a_100000750430_100000210554 [0,1,0,0,0,0|1,0,0]=2 1632 B11R0.2 CC(C)CC(=O)NCCCCO 527a_100000750430_100000210554 [0,1,0,0,0,0|1,0,0]=2 1633 B11R0.2 CC(C)CC(=O)NNCCC#N 22a_100000229987_100000210554 [0,1,0,0,0,0|2,0,1]=4 1634 B11R0.2 CC(C)CC(C)NCCCCF 2230a_100000692259_100000729493 [0,1,0,0,0,0|2,0,1]=4 1635 B11R0.2 CC(C)CC(C)NCCCCO 2230a_100000692259_100000210776 [0,1,0,0,0,0|2,0,1]=4 1636 B11R0.2 CC(C)CC(C)NCCCCO 2230a_100000750430_100000731052 [0,1,0,0,0,0|2,0,1]=4 1637 B11R0.2 CC(C)CC(C)NCCCCO 34a_100000750430_100000731052 [0,1,0,0,0,0|2,0,1]=4 1638 B11R0.2 CC(C)CC(C)OCCCC#N 7a_100000211805_100000687738 [0,1,0,0,0,0|1,0,2]=4 1639 B11R0.2 CC(C)CC(C)OCCCC=O 7a_100000211805_200011292268 [0,1,0,0,0,0|1,0,2]=4 1640 B11R0.2 CC(C)CC(C)OCCCCBr 34a_100011216708_100000731052 [0,1,0,0,0,0|1,0,1]=3 1641 B11R0.2 CC(C)CC(C)OCCCCCl 34a_100000210776_100000731052 [0,1,0,0,0,0|1,0,1]=3 1642 B11R0.2 CC(C)CC(C)OCCCCCl 7a_100000210776_100000731052 [0,1,0,0,0,0|1,0,1]=3 1643 B11R0.2 CC(C)CC(C)OCCCCF 34a_100000211805_100000729493 [0,1,0,0,0,0|1,0,1]=3 1644 B11R0.2 CC(C)CC(C)OCCCCF 34a_100011995726_100000731052 [0,1,0,0,0,0|1,0,1]=3 1645 B11R0.2 CC(C)CC(C)OCCCCF 7a_100000211805_100000729493 [0,1,0,0,0,0|1,0,1]=3 1646 B11R0.2 CC(C)CC(C)OCCCCF 7a_100011995726_100000731052 [0,1,0,0,0,0|1,0,1]=3 1647 B11R0.2 CC(C)CC(C)OCCCCI 34a_200012148704_100000731052 [0,1,0,0,0,0|1,0,1]=3 1648 B11R0.2 CC(C)CC(C)OCCCCN 34a_100000750430_100000731052 [0,1,0,0,0,0|1,0,1]=3 1649 B11R0.2 CC(C)CC(C)OCCCCO 34a_100000211805_100011216708 [0,1,0,0,0,0|1,0,1]=3 1650 B11R0.2 CC(C)CC(C)OCCCCO 7a_100000211805_100000210776 [0,1,0,0,0,0|1,0,1]=3 1651 B11R0.2 CC(C)CC(C)SCCCCF 62a_100000729493_100000731052 [0,1,0,0,0,0|1,1,1]=4 1652 B11R0.2 CC(C)CC(C)SCCCCF 62a_100000731052_100000729493 [0,1,0,0,0,0|1,1,1]=4 1653 B11R0.2 CC(C)CC(C)SCCCCO 62a_100000210776_100000731052 [0,1,0,0,0,0|1,1,1]=4 1654 B11R0.2 CC(C)CC(C)SCCCCO 62a_100000731052_100000210776 [0,1,0,0,0,0|1,1,1]=4 1655 B11R0.2 CC(C)CN(C)CCCCCF 2230a_100000747067_100000729378 [0,1,0,0,0,0|3,0,0]=4 1656 B11R0.2 CC(C)CN(C)CCCCCF 269982a_100000747067_100000729378 [0,1,0,0,0,0|3,0,0]=4 1657 B11R0.2 CC(C)CN(C)CCCCCO 2230a_100000722520_100000210760 [0,1,0,0,0,0|3,0,0]=4 1658 B11R0.2 CC(C)CN(C)CCCCCO 2230a_100000747067_100000746330 [0,1,0,0,0,0|3,0,0]=4 1659 B11R0.2 CC(C)CN(C)CCCCCO 269982a_100000722520_100000210624 [0,1,0,0,0,0|3,0,0]=4 1660 B11R0.2 CC(C)CN(C)CCCCCO 269982a_100000747067_100000746330 [0,1,0,0,0,0|3,0,0]=4 1661 B11R0.2 CC(C)CN(C)CCCCCO 270004a_100000722520_100000210432 [0,1,0,0,0,0|3,0,0]=4 1662 B11R0.2 CC(C)C[C@H](N)COCCCF 34a_100011830311_100011934791 [0,1,0,0,0,0|2,0,1]=4 1663 B11R0.2 CC(C)C[C@H](N)COCCCO 34a_100011830311_100000230001 [0,1,0,0,0,0|2,0,1]=4 1664 B11R0.2 CC(C)NC(=O)CCCCCO 240690a_100138425928_100102619762 [0,1,0,0,0,0|2,0,0]=3 1665 B11R0.2 CC(C)NC(=O)CCNCCO 2230a_100016997473_100000737564 [0,1,0,0,0,0|3,0,0]=4 1666 B11R0.2 CC(C)NC(=O)CCOCCO 1626a_100138425928_100011229844 [0,1,0,0,0,0|3,0,0]=4 1667 B11R0.2 CC(C)NC(=O)CCOCCO 240690a_100138425928_100011229844 [0,1,0,0,0,0|3,0,0]=4 1668 B11R0.2 CC(C)NC(=O)CCSCCF 62a_100000737564_100011217306 [0,1,0,0,0,0|3,0,0]=4 1669 B11R0.2 CC(C)NC(=O)CCSCCF 62a_100011217306_100000737564 [0,1,0,0,0,0|3,0,0]=4 1670 B11R0.2 CC(C)NC(=O)CCSCCO 62a_100000211926_100000737564 [0,1,0,0,0,0|3,0,0]=4 1671 B11R0.2 CC(C)NC(=O)CCSCCO 62a_100000737564_100000211926 [0,1,0,0,0,0|3,0,0]=4 1672 B11R0.2 CC(C)NC(=O)CNCCCF 2230a_100000168517_100011934791 [0,1,0,0,0,0|3,0,0]=4 1673 B11R0.2 CC(C)NC(=O)CNCCCF 2230a_100015189416_100000183996 [0,1,0,0,0,0|3,0,0]=4 1674 B11R0.2 CC(C)NC(=O)CNCCCF 34a_100015189416_100000183996 [0,1,0,0,0,0|3,0,0]=4 1675 B11R0.2 CC(C)NC(=O)CNCCCO 2230a_100000168517_100000230001 [0,1,0,0,0,0|3,0,0]=4 1676 B11R0.2 CC(C)NC(=O)COCCCBr 34a_100011217188_100000183996 [0,1,0,0,0,0|2,0,0]=3 1677 B11R0.2 CC(C)NC(=O)COCCCCl 34a_100000230001_100000183996 [0,1,0,0,0,0|2,0,0]=3 1678 B11R0.2 CC(C)NC(=O)COCCCF 34a_100000759539_100000183996 [0,1,0,0,0,0|2,0,0]=3 1679 B11R0.2 CC(C)NC(=O)COCCCN 34a_100000182051_100000183996 [0,1,0,0,0,0|2,0,0]=3 1680 B11R0.2 CC(C)NC(=O)COCCON 34a_100000700252_100000183996 [0,1,0,0,0,0|3,0,0]=4 1681 B11R0.2 CC(C)NC(=O)CSCCCF 62a_100000183996_100011934791 [0,1,0,0,0,0|2,1,0]=4 1682 B11R0.2 CC(C)NC(=O)CSCCCF 62a_100011934791_100000183996 [0,1,0,0,0,0|2,1,0]=4 1683 B11R0.2 CC(C)NC(=O)CSCCCO 62a_100000183996_100011215043 [0,1,0,0,0,0|2,1,0]=4 1684 B11R0.2 CC(C)NC(=O)CSCCCO 62a_100011215043_100000183996 [0,1,0,0,0,0|2,1,0]=4 1685 B11R0.2 CC(C)NC(=O)NCCCCO 2708a_100000750430_100138425928 [0,1,0,0,0,0|2,0,0]=3 1686 B11R0.2 CC(C)NC(=O)NCCCCO 2708a_100138425928_100000750430 [0,1,0,0,0,0|2,0,0]=3 1687 B11R0.2 CC(C)NC(=O)NCCCCO 273464a_100138425928_100000750430 [0,1,0,0,0,0|2,0,0]=3 1688 B11R0.2 CC(C)NC(=O)NCCCCO 512a_100000750430_100138425928 [0,1,0,0,0,0|2,0,0]=3 1689 B11R0.2 CC(C)NC(=O)NCCCCO 512a_100138425928_100000750430 [0,1,0,0,0,0|2,0,0]=3 1690 B11R0.2 CC(C)OC(=O)CCNCCO 2230a_100016997473_100000760027 [0,1,0,0,0,0|3,0,0]=4 1691 B11R0.2 CC(C)OC(=O)CCSCCF 62a_100000760027_100011217306 [0,1,0,0,0,0|3,0,0]=4 1692 B11R0.2 CC(C)OC(=O)CCSCCF 62a_100011217306_100000760027 [0,1,0,0,0,0|3,0,0]=4 1693 B11R0.2 CC(C)OC(=O)CCSCCO 62a_100000211926_100000760027 [0,1,0,0,0,0|3,0,0]=4 1694 B11R0.2 CC(C)OC(=O)CCSCCO 62a_100000760027_100000211926 [0,1,0,0,0,0|3,0,0]=4 1695 B11R0.2 CC(C)OC(=O)CNCCCF 2230a_100015189416_100011215430 [0,1,0,0,0,0|3,0,0]=4 1696 B11R0.2 CC(C)OC(=O)CNCCCF 34a_100015189416_100011215430 [0,1,0,0,0,0|3,0,0]=4 1697 B11R0.2 CC(C)OC(=O)COCCCBr 34a_100011217188_100011215430 [0,1,0,0,0,0|2,0,0]=3 1698 B11R0.2 CC(C)OC(=O)COCCCCl 34a_100000230001_100011215430 [0,1,0,0,0,0|2,0,0]=3 1699 B11R0.2 CC(C)OC(=O)COCCCF 34a_100000759539_100011215430 [0,1,0,0,0,0|2,0,0]=3 1700 B11R0.2 CC(C)OC(=O)COCCCN 34a_100000182051_100011215430 [0,1,0,0,0,0|2,0,0]=3 1701 B11R0.2 CC(C)OC(=O)COCCON 34a_100000700252_100011215430 [0,1,0,0,0,0|3,0,0]=4 1702 B11R0.2 CC(C)OC(=O)CSCCCF 62a_100011215430_100011934791 [0,1,0,0,0,0|2,1,0]=4 1703 B11R0.2 CC(C)OC(=O)CSCCCF 62a_100011934791_100011215430 [0,1,0,0,0,0|2,1,0]=4 1704 B11R0.2 CC(C)OC(=O)CSCCCO 62a_100011215043_100011215430 [0,1,0,0,0,0|2,1,0]=4 1705 B11R0.2 CC(C)OC(=O)CSCCCO 62a_100011215430_100011215043 [0,1,0,0,0,0|2,1,0]=4 1706 B11R0.2 CC(C)OC(=O)OCSCC#N 62a_100000003507_100011215382 [0,1,0,0,0,0|2,0,1]=4 1707 B11R0.2 CC(C)OC(=O)OCSCC#N 62a_100011215382_100000003507 [0,1,0,0,0,0|2,0,1]=4 1708 B11R0.2 CC(C)OC(=O)OCSCC=O 62a_100000003507_200015260668 [0,1,0,0,0,0|2,0,1]=4 1709 B11R0.2 CC(C)OC(=O)OCSCC=O 62a_200015260668_100000003507 [0,1,0,0,0,0|2,0,1]=4 1710 B11R0.2 CC(C)OC(=O)OCSCCF 62a_100000003507_100011217306 [0,1,0,0,0,0|2,0,0]=3 1711 B11R0.2 CC(C)OC(=O)OCSCCF 62a_100011217306_100000003507 [0,1,0,0,0,0|2,0,0]=3 1712 B11R0.2 CC(C)OC(=O)OCSCCO 62a_100000003507_100000211926 [0,1,0,0,0,0|2,0,0]=3 1713 B11R0.2 CC(C)OC(=O)OCSCCO 62a_100000211926_100000003507 [0,1,0,0,0,0|2,0,0]=3 1714 B11R0.2 CC(O)CC(=O)CCCCCO 1458a_100102619762_100011218427 [0,1,0,0,0,0|2,0,0]=3 1715 B11R0.2 CC(O)CC(=O)CCOCCO 1458a_100011229844_100011218427 [0,1,0,0,0,0|3,0,0]=4 1716 B11R0.2 CC/C=C\CCC(=O)CC(C)C 1458a_100000210554_100015370543 [0,1,0,0,0,0|1,0,1]=3 1717 B11R0.2 CC/C=C\CCC(=O)CN(C)C 1458a_100000750896_100015370543 [0,1,0,0,0,0|2,0,1]=4 1718 B11R0.2 CC/C=C\CCC(=O)C[C@@H](C)O 1458a_100011933948_100015370543 [0,1,0,0,0,0|2,0,1]=4 1719 B11R0.2 CC/C=C\CCC(=O)C[S+](C)C 1458a_200159257847_100015370543 [0,1,0,0,0,0|2,0,1]=4 1720 B11R0.2 CC/C=C\COC(C)CC(C)C 34a_100000211805_100103147603 [0,1,0,0,0,0|1,0,2]=4 1721 B11R0.2 CC/C=C\COC(C)CC(C)C 34a_100016268518_100000731052 [0,1,0,0,0,0|1,0,2]=4 1722 B11R0.2 CC/C=C\COC(C)CC(C)C 7a_100000211805_100103147603 [0,1,0,0,0,0|1,0,2]=4 1723 B11R0.2 CCC#CCOC(C)CC(C)C 34a_100000032950_100000731052 [0,1,0,0,0,0|1,0,2]=4 1724 B11R0.2 CCC#CCOC(C)CC(C)C 34a_100000211805_100009813939 [0,1,0,0,0,0|1,0,2]=4 1725 B11R0.2 CCC#CCOC(C)CC(C)C 7a_100000211805_100009813939 [0,1,0,0,0,0|1,0,2]=4 1726 B11R0.2 CCC/C=C/CC(=O)CC(C)C 1458a_200016266809_100000210624 [0,1,0,0,0,0|1,0,1]=3 1727 B11R0.2 CCC/C=C/CC(=O)CC(C)O 1458a_200016266809_100011218427 [0,1,0,0,0,0|2,0,1]=4 1728 B11R0.2 CCC/C=C/CC(=O)NC(C)C 11a_100138425928_200016266809 [0,1,0,0,0,0|2,0,1]=4 1729 B11R0.2 CCC/C=C/CC(=O)NC(C)C 1626a_100138425928_200016266809 [0,1,0,0,0,0|2,0,1]=4 1730 B11R0.2 CCC/C=C/CC(=O)NC(C)C 240690a_100138425928_200016266809 [0,1,0,0,0,0|2,0,1]=4 1731 B11R0.2 CCC/C=C/CC(=O)NC(C)C 527a_100138425928_200016266809 [0,1,0,0,0,0|2,0,1]=4 1732 B11R0.2 CCCC=NNC(=O)CC(C)C 4a_100000189787_100000185831 [0,1,0,0,0,0|1,0,1]=3 1733 B11R0.2 CCCC=NNC(=O)CN(C)C 4a_100000750941_100000185831 [0,1,0,0,0,0|2,0,1]=4 1734 B11R0.2 CCCCC=CC(=O)CC(C)C 1458a_100016266645_100000210624 [0,1,0,0,0,0|1,0,0]=2 1735 B11R0.2 CCCCC=CC(=O)CC(C)O 1458a_100016266645_100011218427 [0,1,0,0,0,0|2,0,0]=3 1736 B11R0.2 CCCCC=CC(=O)CC(F)F 1458a_100016266645_100011934356 [0,1,0,0,0,0|3,0,0]=4 1737 B11R0.2 CCCCC=CC(=O)NC(C)C 11a_100138425928_100016266645 [0,1,0,0,0,0|2,0,0]=3 1738 B11R0.2 CCCCC=CC(=O)NC(C)C 1626a_100138425928_100016266645 [0,1,0,0,0,0|2,0,0]=3 1739 B11R0.2 CCCCC=CC(=O)NC(C)C 240690a_100138425928_100016266645 [0,1,0,0,0,0|2,0,0]=3 1740 B11R0.2 CCCCCCC(=O)C=C(C)C 1458a_100000211388_100000210757 [0,1,0,0,0,0|1,0,2]=4 1741 B11R0.2 CCCCCCC(=O)CC(C)C 1458a_100000210554_100000210757 [0,1,0,0,0,0|1,0,0]=2 1742 B11R0.2 CCCCCCC(=O)CC(C)C 1458a_100102632555_100000210624 [0,1,0,0,0,0|1,0,0]=2 1743 B11R0.2 CCCCCCC(=O)CC(C)O 1458a_100102632555_100011218427 [0,1,0,0,0,0|2,0,0]=3 1744 B11R0.2 CCCCCCC(=O)CC(F)F 1458a_100102632555_100011934356 [0,1,0,0,0,0|3,0,0]=4 1745 B11R0.2 CCCCCCC(=O)CN(C)C 1458a_100000750896_100000210757 [0,1,0,0,0,0|2,0,0]=3 1746 B11R0.2 CCCCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000210757 [0,1,0,0,0,0|2,0,0]=3 1747 B11R0.2 CCCCCCC(=O)C[S+](C)C 1458a_200159257847_100000210757 [0,1,0,0,0,0|2,0,0]=3 1748 B11R0.2 CCCCCCC(=O)NC(C)C 11a_100138425928_100102632555 [0,1,0,0,0,0|2,0,0]=3 1749 B11R0.2 CCCCCCC(=O)NC(C)C 1626a_100138425928_100102632555 [0,1,0,0,0,0|2,0,0]=3 1750 B11R0.2 CCCCCCC(=O)NC(C)C 240690a_100138425928_100102632555 [0,1,0,0,0,0|2,0,0]=3 1751 B11R0.2 CCCCCCC(=O)NC(C)C 527a_100138425928_100102632555 [0,1,0,0,0,0|2,0,0]=3 1752 B11R0.2 CCCCCCN(C)CC(C)C 2230a_100000747067_100000210314 [0,1,0,0,0,0|3,0,0]=4 1753 B11R0.2 CCCCCCN(C)CC(C)C 2230a_106256046315_100000210760 [0,1,0,0,0,0|3,0,0]=4 1754 B11R0.2 CCCCCCN(C)CC(C)C 269982a_100000747067_100000210757 [0,1,0,0,0,0|3,0,0]=4 1755 B11R0.2 CCCCCCN(C)CC(C)C 269982a_106256046315_100000210624 [0,1,0,0,0,0|3,0,0]=4 1756 B11R0.2 CCCCCCN(C)CC(C)C 270004a_106256046315_100000210432 [0,1,0,0,0,0|3,0,0]=4 1757 B11R0.2 CCCCCNC(=O)C=C(C)C 11a_100000209983_100000211388 [0,1,0,0,0,0|1,0,2]=4 1758 B11R0.2 CCCCCNC(=O)C=C(C)C 1626a_100000209983_100000211388 [0,1,0,0,0,0|1,0,2]=4 1759 B11R0.2 CCCCCNC(=O)C=C(C)C 240690a_100000209983_100000211388 [0,1,0,0,0,0|1,0,2]=4 1760 B11R0.2 CCCCCNC(=O)CC(=O)C 1458a_100000070787_100000230301 [0,1,0,0,0,0|2,0,1]=4 1761 B11R0.2 CCCCCNC(=O)CC(C)C 11a_100000209983_100000210554 [0,1,0,0,0,0|1,0,0]=2 1762 B11R0.2 CCCCCNC(=O)CC(C)C 1626a_100000209983_100000210554 [0,1,0,0,0,0|1,0,0]=2 1763 B11R0.2 CCCCCNC(=O)CC(C)C 240690a_100000209983_100000210554 [0,1,0,0,0,0|1,0,0]=2 1764 B11R0.2 CCCCCNC(=O)CC(C)C 527a_100000209983_100000210554 [0,1,0,0,0,0|1,0,0]=2 1765 B11R0.2 CCCCCNC(=O)CN(C)C 11a_100000209983_100000750896 [0,1,0,0,0,0|2,0,0]=3 1766 B11R0.2 CCCCCNC(=O)CN(C)C 2230a_100102631434_100000230301 [0,1,0,0,0,0|2,0,0]=3 1767 B11R0.2 CCCCCNC(=O)CN(C)C 240690a_100000209983_100000750896 [0,1,0,0,0,0|2,0,0]=3 1768 B11R0.2 CCCCCNC(=O)CN(C)C 269982a_100102631434_100000230301 [0,1,0,0,0,0|2,0,0]=3 1769 B11R0.2 CCCCCNC(=O)CN(C)C 527a_100000209983_100000750896 [0,1,0,0,0,0|2,0,0]=3 1770 B11R0.2 CCCCCNC(=O)C[C@@H](C)O 240690a_100000209983_100011933948 [0,1,0,0,0,0|2,0,0]=3 1771 B11R0.2 CCCCCNC(=O)C[S+](C)C 11a_100000209983_200159257847 [0,1,0,0,0,0|2,0,0]=3 1772 B11R0.2 CCCCCNC(=O)C[S+](C)C 1626a_100000209983_200159257847 [0,1,0,0,0,0|2,0,0]=3 1773 B11R0.2 CCCCCNC(=O)C[S+](C)C 240690a_100000209983_200159257847 [0,1,0,0,0,0|2,0,0]=3 1774 B11R0.2 CCCCCNC(=O)C[S+](C)C 527a_100000209983_200159257847 [0,1,0,0,0,0|2,0,0]=3 1775 B11R0.2 CCCCCNC(=O)NC(C)C 2708a_100000209983_100138425928 [0,1,0,0,0,0|2,0,0]=3 1776 B11R0.2 CCCCCNC(=O)NC(C)C 2708a_100138425928_100000209983 [0,1,0,0,0,0|2,0,0]=3 1777 B11R0.2 CCCCCNC(=O)NC(C)C 273464a_100138425928_100000209983 [0,1,0,0,0,0|2,0,0]=3 1778 B11R0.2 CCCCCNC(=O)NC(C)C 512a_100000209983_100138425928 [0,1,0,0,0,0|2,0,0]=3 1779 B11R0.2 CCCCCNC(=O)NC(C)C 512a_100138425928_100000209983 [0,1,0,0,0,0|2,0,0]=3 1780 B11R0.2 CCCCCNC(C)CC(C)C 2230a_100000209983_100000731052 [0,1,0,0,0,0|2,0,1]=4 1781 B11R0.2 CCCCCNC(C)CC(C)C 2230a_100000692259_100000210326 [0,1,0,0,0,0|2,0,1]=4 1782 B11R0.2 CCCCCOC(C)CC(C)C 34a_100000210253_100000731052 [0,1,0,0,0,0|1,0,1]=3 1783 B11R0.2 CCCCCOC(C)CC(C)C 34a_100000211805_100000718602 [0,1,0,0,0,0|1,0,1]=3 1784 B11R0.2 CCCCCOC(C)CC(C)C 7a_100000210253_100000731052 [0,1,0,0,0,0|1,0,1]=3 1785 B11R0.2 CCCCCOC(C)CC(C)C 7a_100000211805_100000210326 [0,1,0,0,0,0|1,0,1]=3 1786 B11R0.2 CCCCCSC(C)CC(C)C 62a_100000210326_100000731052 [0,1,0,0,0,0|1,1,1]=4 1787 B11R0.2 CCCCCSC(C)CC(C)C 62a_100000731052_100000210326 [0,1,0,0,0,0|1,1,1]=4 1788 B11R0.2 CCCCNCC(=O)NC(C)C 2230a_100000102301_100000183996 [0,1,0,0,0,0|2,0,0]=3 1789 B11R0.2 CCCCNCC(=O)NC(C)C 2230a_100000168517_100000210211 [0,1,0,0,0,0|2,0,0]=3 1790 B11R0.2 CCCCNCC(=O)NC(C)C 7a_106832991798_100000183996 [0,1,0,0,0,0|2,0,0]=3 1791 B11R0.2 CCCCNCC(=O)OC(C)C 2230a_100000102301_100011215430 [0,1,0,0,0,0|2,0,0]=3 1792 B11R0.2 CCCCNCC(=O)OC(C)C 7a_106832991798_100011215430 [0,1,0,0,0,0|2,0,0]=3 1793 B11R0.2 CCCCNNC(=O)C=C(C)C 22a_100025702795_100000211388 [0,1,0,0,0,0|1,0,2]=4 1794 B11R0.2 CCCCNNC(=O)CC(C)C 22a_100025702795_100000210554 [0,1,0,0,0,0|1,0,0]=2 1795 B11R0.2 CCCCNNC(=O)CN(C)C 22a_100025702795_100000750896 [0,1,0,0,0,0|2,0,0]=3 1796 B11R0.2 CCCCNNC(=O)C[C@@H](C)O 22a_100025702795_100011933948 [0,1,0,0,0,0|2,0,0]=3 1797 B11R0.2 CCCCNNC(=O)C[S+](C)C 22a_100025702795_200159257847 [0,1,0,0,0,0|2,0,0]=3 1798 B11R0.2 CCCCNNC(=O)NC(C)C 273464a_100138425928_100025702795 [0,1,0,0,0,0|2,0,0]=3 1799 B11R0.2 CCCCNNC(=O)NC(C)C 512a_100025702795_100138425928 [0,1,0,0,0,0|2,0,0]=3 1800 B11R0.2 CCCCNNC(=O)NC(C)C 512a_100138425928_100025702795 [0,1,0,0,0,0|2,0,0]=3 1801 B11R0.2 CCCCOCC(=O)C=C(C)C 1458a_100000211388_100011995733 [0,1,0,0,0,0|0,0,2]=3 1802 B11R0.2 CCCCOCC(=O)C=C(C)Cl 1458a_200042562850_100011995733 [0,1,0,0,0,0|1,0,2]=4 1803 B11R0.2 CCCCOCC(=O)C=C(C)I 1458a_100025716642_100011995733 [0,1,0,0,0,0|1,0,2]=4 1804 B11R0.2 CCCCOCC(=O)CC(=O)N 1458a_100000757543_100000187820 [0,1,0,0,0,0|2,0,1]=4 1805 B11R0.2 CCCCOCC(=O)CC(=O)N 1458a_100134613110_100011995733 [0,1,0,0,0,0|2,0,1]=4 1806 B11R0.2 CCCCOCC(=O)CC(=O)[O-] 1458a_100000757543_100020667443 [0,1,0,0,0,0|2,0,1]=4 1807 B11R0.2 CCCCOCC(=O)CC(C)C 1458a_100000210554_100011995733 [0,1,0,0,0,0|0,0,0]=1 1808 B11R0.2 CCCCOCC(=O)CC(C)C 1458a_100000757543_100000210624 [0,1,0,0,0,0|0,0,0]=1 1809 B11R0.2 CCCCOCC(=O)CC(C)O 1458a_100000757543_100011218427 [0,1,0,0,0,0|1,0,0]=2 1810 B11R0.2 CCCCOCC(=O)CC(F)F 1458a_100000757543_100011934356 [0,1,0,0,0,0|2,0,0]=3 1811 B11R0.2 CCCCOCC(=O)CN(C)C 1458a_100000750896_100011995733 [0,1,0,0,0,0|1,0,0]=2 1812 B11R0.2 CCCCOCC(=O)C[C@@H](C)O 1458a_100011933948_100011995733 [0,1,0,0,0,0|1,0,0]=2 1813 B11R0.2 CCCCOCC(=O)C[N+](=O)[O-] 1458a_100000757543_100000761209 [0,1,0,0,0,0|3,0,0]=4 1814 B11R0.2 CCCCOCC(=O)C[S+](C)C 1458a_200159257847_100011995733 [0,1,0,0,0,0|1,0,0]=2 1815 B11R0.2 CCCCOCC(=O)NC(=O)C 7a_100000210227_100000183797 [0,1,0,0,0,0|2,0,1]=4 1816 B11R0.2 CCCCOCC(=O)NC(C)C 11a_100138425928_100000757543 [0,1,0,0,0,0|1,0,0]=2 1817 B11R0.2 CCCCOCC(=O)NC(C)C 1626a_100138425928_100000757543 [0,1,0,0,0,0|1,0,0]=2 1818 B11R0.2 CCCCOCC(=O)NC(C)C 240690a_100138425928_100000757543 [0,1,0,0,0,0|1,0,0]=2 1819 B11R0.2 CCCCOCC(=O)NC(C)C 34a_100000210227_100000183996 [0,1,0,0,0,0|1,0,0]=2 1820 B11R0.2 CCCCOCC(=O)NC(C)C 527a_100138425928_100000757543 [0,1,0,0,0,0|1,0,0]=2 1821 B11R0.2 CCCCOCC(=O)NC(C)C 7a_100000210227_100000183996 [0,1,0,0,0,0|1,0,0]=2 1822 B11R0.2 CCCCOCC(=O)OC(C)C 34a_100000210227_100011215430 [0,1,0,0,0,0|1,0,0]=2 1823 B11R0.2 CCCCOCC(=O)OC(C)C 7a_100000210227_100011215430 [0,1,0,0,0,0|1,0,0]=2 1824 B11R0.2 CCCCOCC(C)CN(C)C 7a_100000210227_100015348159 [0,1,0,0,0,0|2,0,1]=4 1825 B11R0.2 CCCCOCC(C)OC(C)C 34a_100011217071_100000210206 [0,1,0,0,0,0|2,0,1]=4 1826 B11R0.2 CCCCOCC(C)OC(C)C 7a_100011217071_100000210206 [0,1,0,0,0,0|2,0,1]=4 1827 B11R0.2 CCCCOCN(C)CC(C)C 2230a_100000747067_100011995733 [0,1,0,0,0,0|2,0,0]=3 1828 B11R0.2 CCCCOCN(C)CC(C)C 269982a_100000747067_100011995733 [0,1,0,0,0,0|2,0,0]=3 1829 B11R0.2 CCCCOCN(C)CC(C)O 2230a_100000227577_100011995733 [0,1,0,0,0,0|3,0,0]=4 1830 B11R0.2 CCCCOCN(C)CC(C)O 269982a_100000227577_100011995733 [0,1,0,0,0,0|3,0,0]=4 1831 B11R0.2 CCCCOC[C@@H](N)CC(C)C 34a_100011830311_100000210210 [0,1,0,0,0,0|1,0,1]=3 1832 B11R0.2 CCCCSCC(=O)CC(C)C 1458a_100000191162_100000210624 [0,1,0,0,0,0|0,1,0]=2 1833 B11R0.2 CCCCSCC(=O)CC(C)O 1458a_100000191162_100011218427 [0,1,0,0,0,0|1,1,0]=3 1834 B11R0.2 CCCCSCC(=O)CC(F)F 1458a_100000191162_100011934356 [0,1,0,0,0,0|2,1,0]=4 1835 B11R0.2 CCCCSCC(=O)NC(C)C 11a_100138425928_100000191162 [0,1,0,0,0,0|1,1,0]=3 1836 B11R0.2 CCCCSCC(=O)NC(C)C 1626a_100138425928_100000191162 [0,1,0,0,0,0|1,1,0]=3 1837 B11R0.2 CCCCSCC(=O)NC(C)C 240690a_100138425928_100000191162 [0,1,0,0,0,0|1,1,0]=3 1838 B11R0.2 CCCCSCC(=O)NC(C)C 527a_100138425928_100000191162 [0,1,0,0,0,0|1,1,0]=3 1839 B11R0.2 CCCCSCC(=O)NC(C)C 62a_100000183996_100000210210 [0,1,0,0,0,0|1,1,0]=3 1840 B11R0.2 CCCCSCC(=O)NC(C)C 62a_100000210211_100000183996 [0,1,0,0,0,0|1,1,0]=3 1841 B11R0.2 CCCCSCC(=O)OC(C)C 62a_100000210211_100011215430 [0,1,0,0,0,0|1,1,0]=3 1842 B11R0.2 CCCCSCC(=O)OC(C)C 62a_100011215430_100000210210 [0,1,0,0,0,0|1,1,0]=3 1843 B11R0.2 CCCOCCC(=O)C=C(C)C 1458a_100000211388_100011215938 [0,1,0,0,0,0|1,0,2]=4 1844 B11R0.2 CCCOCCC(=O)CC(C)C 1458a_100000210554_100011215938 [0,1,0,0,0,0|1,0,0]=2 1845 B11R0.2 CCCOCCC(=O)CN(C)C 1458a_100000750896_100011215938 [0,1,0,0,0,0|2,0,0]=3 1846 B11R0.2 CCCOCCC(=O)C[C@@H](C)O 1458a_100011933948_100011215938 [0,1,0,0,0,0|2,0,0]=3 1847 B11R0.2 CCCOCCC(=O)C[S+](C)C 1458a_200159257847_100011215938 [0,1,0,0,0,0|2,0,0]=3 1848 B11R0.2 CCCOCCN(C)CC(C)C 2230a_100000747067_100011215938 [0,1,0,0,0,0|3,0,0]=4 1849 B11R0.2 CCCOCCN(C)CC(C)C 269982a_100000747067_100011215938 [0,1,0,0,0,0|3,0,0]=4 1850 B11R0.2 CCCOCC[C@@H](N)CC(C)C 34a_100161151251_100000210303 [0,1,0,0,0,0|2,0,1]=4 1851 B11R0.2 CCCSCCC(=O)NC(C)C 62a_100000210303_100000737564 [0,1,0,0,0,0|2,0,0]=3 1852 B11R0.2 CCCSCCC(=O)NC(C)C 62a_100000737564_100000210303 [0,1,0,0,0,0|2,0,0]=3 1853 B11R0.2 CCCSCCC(=O)OC(C)C 62a_100000210303_100000760027 [0,1,0,0,0,0|2,0,0]=3 1854 B11R0.2 CCCSCCC(=O)OC(C)C 62a_100000760027_100000210303 [0,1,0,0,0,0|2,0,0]=3 1855 B11R0.2 CCCSCOC(=O)OC(C)C 62a_100000003507_100000210303 [0,1,0,0,0,0|1,0,0]=2 1856 B11R0.2 CCCSCOC(=O)OC(C)C 62a_100000210303_100000003507 [0,1,0,0,0,0|1,0,0]=2 1857 B11R0.2 CCOCCCC(=O)C=C(C)C 1458a_100000211388_100012232248 [0,1,0,0,0,0|1,0,2]=4 1858 B11R0.2 CCOCCCC(=O)CC(C)C 1458a_100000210554_100012232248 [0,1,0,0,0,0|1,0,0]=2 1859 B11R0.2 CCOCCCC(=O)CN(C)C 1458a_100000750896_100012232248 [0,1,0,0,0,0|2,0,0]=3 1860 B11R0.2 CCOCCCC(=O)C[C@@H](C)O 1458a_100011933948_100012232248 [0,1,0,0,0,0|2,0,0]=3 1861 B11R0.2 CCOCCCC(=O)C[S+](C)C 1458a_200159257847_100012232248 [0,1,0,0,0,0|2,0,0]=3 1862 B11R0.2 CCOCCCN(C)CC(C)C 2230a_100000747067_100012232248 [0,1,0,0,0,0|3,0,0]=4 1863 B11R0.2 CCOCCCN(C)CC(C)C 269982a_100000747067_100012232248 [0,1,0,0,0,0|3,0,0]=4 1864 B11R0.2 CCOCCNC(=O)C=C(C)C 11a_100011200944_100000211388 [0,1,0,0,0,0|1,0,2]=4 1865 B11R0.2 CCOCCNC(=O)C=C(C)C 1626a_102516460346_100000211388 [0,1,0,0,0,0|1,0,2]=4 1866 B11R0.2 CCOCCNC(=O)C=C(C)C 240690a_100011200944_100000211388 [0,1,0,0,0,0|1,0,2]=4 1867 B11R0.2 CCOCCNC(=O)CC(C)C 11a_100011200944_100000210554 [0,1,0,0,0,0|1,0,0]=2 1868 B11R0.2 CCOCCNC(=O)CC(C)C 1626a_102516460346_100000210554 [0,1,0,0,0,0|1,0,0]=2 1869 B11R0.2 CCOCCNC(=O)CC(C)C 240690a_100011200944_100000210554 [0,1,0,0,0,0|1,0,0]=2 1870 B11R0.2 CCOCCNC(=O)CC(C)C 527a_100011200944_100000210554 [0,1,0,0,0,0|1,0,0]=2 1871 B11R0.2 CCOCCNC(=O)CN(C)C 11a_100011200944_100000750896 [0,1,0,0,0,0|2,0,0]=3 1872 B11R0.2 CCOCCNC(=O)CN(C)C 240690a_100011200944_100000750896 [0,1,0,0,0,0|2,0,0]=3 1873 B11R0.2 CCOCCNC(=O)CN(C)C 527a_100011200944_100000750896 [0,1,0,0,0,0|2,0,0]=3 1874 B11R0.2 CCOCCNC(=O)C[C@@H](C)O 240690a_100011200944_100011933948 [0,1,0,0,0,0|2,0,0]=3 1875 B11R0.2 CCOCCNC(=O)C[S+](C)C 11a_100011200944_200159257847 [0,1,0,0,0,0|2,0,0]=3 1876 B11R0.2 CCOCCNC(=O)C[S+](C)C 1626a_102516460346_200159257847 [0,1,0,0,0,0|2,0,0]=3 1877 B11R0.2 CCOCCNC(=O)C[S+](C)C 240690a_100011200944_200159257847 [0,1,0,0,0,0|2,0,0]=3 1878 B11R0.2 CCOCCNC(=O)C[S+](C)C 527a_100011200944_200159257847 [0,1,0,0,0,0|2,0,0]=3 1879 B11R0.2 CCOCCNC(=O)NC(C)C 2708a_100011200944_100138425928 [0,1,0,0,0,0|2,0,0]=3 1880 B11R0.2 CCOCCNC(=O)NC(C)C 2708a_100138425928_100011200944 [0,1,0,0,0,0|2,0,0]=3 1881 B11R0.2 CCOCCNC(=O)NC(C)C 273464a_100138425928_102516460346 [0,1,0,0,0,0|2,0,0]=3 1882 B11R0.2 CCOCCNC(=O)NC(C)C 512a_100011200944_100138425928 [0,1,0,0,0,0|2,0,0]=3 1883 B11R0.2 CCOCCNC(=O)NC(C)C 512a_100138425928_100011200944 [0,1,0,0,0,0|2,0,0]=3 1884 B11R0.2 CCOCCNC(C)CC(C)C 2230a_100000692259_100011215890 [0,1,0,0,0,0|2,0,1]=4 1885 B11R0.2 CCOCCNC(C)CC(C)C 2230a_102516460346_100000731052 [0,1,0,0,0,0|2,0,1]=4 1886 B11R0.2 CCOCCNC(C)CC(C)C 34a_102516460346_100000731052 [0,1,0,0,0,0|2,0,1]=4 1887 B11R0.2 CCOCCOC(=O)CC(=O)C 1458a_100000070787_200000101388 [0,1,0,0,0,0|1,0,1]=3 1888 B11R0.2 CCOCCOC(=O)CC(=O)C 34a_100121572206_100000102702 [0,1,0,0,0,0|1,0,1]=3 1889 B11R0.2 CCOCCOC(=O)CN(C)C 2230a_100102631434_200000101388 [0,1,0,0,0,0|1,0,0]=2 1890 B11R0.2 CCOCCOC(=O)CN(C)C 269982a_100102631434_200000101388 [0,1,0,0,0,0|1,0,0]=2 1891 B11R0.2 CCOCCOC(C)CC(C)C 34a_100000210136_100000731052 [0,1,0,0,0,0|1,0,1]=3 1892 B11R0.2 CCOCCOC(C)CC(C)C 34a_100000211805_100000210147 [0,1,0,0,0,0|1,0,1]=3 1893 B11R0.2 CCOCCOC(C)CC(C)C 7a_100000210136_100000731052 [0,1,0,0,0,0|1,0,1]=3 1894 B11R0.2 CCOCCOC(C)CC(C)C 7a_100000211805_100011215890 [0,1,0,0,0,0|1,0,1]=3 1895 B11R0.2 CCOCCSC(C)CC(C)C 62a_100000210147_100000731052 [0,1,0,0,0,0|1,1,1]=4 1896 B11R0.2 CCOCCSC(C)CC(C)C 62a_100000731052_100011215890 [0,1,0,0,0,0|1,1,1]=4 1897 B11R0.2 CCOCSCC(=O)NC(C)C 62a_100000183996_100000739092 [0,1,0,0,0,0|2,1,0]=4 1898 B11R0.2 CCOCSCC(=O)NC(C)C 62a_100000739092_100000183996 [0,1,0,0,0,0|2,1,0]=4 1899 B11R0.2 CCOCSCC(=O)OC(C)C 62a_100000739092_100011215430 [0,1,0,0,0,0|2,1,0]=4 1900 B11R0.2 CCOCSCC(=O)OC(C)C 62a_100011215430_100000739092 [0,1,0,0,0,0|2,1,0]=4 1901 B11R0.2 CCSCCNC(=O)C=C(C)C 11a_100000106463_100000211388 [0,1,0,0,0,0|1,0,2]=4 1902 B11R0.2 CCSCCNC(=O)C=C(C)C 1626a_100000106463_100000211388 [0,1,0,0,0,0|1,0,2]=4 1903 B11R0.2 CCSCCNC(=O)C=C(C)C 240690a_100000106463_100000211388 [0,1,0,0,0,0|1,0,2]=4 1904 B11R0.2 CCSCCNC(=O)CC(C)C 11a_100000106463_100000210554 [0,1,0,0,0,0|1,0,0]=2 1905 B11R0.2 CCSCCNC(=O)CC(C)C 1626a_100000106463_100000210554 [0,1,0,0,0,0|1,0,0]=2 1906 B11R0.2 CCSCCNC(=O)CC(C)C 240690a_100000106463_100000210554 [0,1,0,0,0,0|1,0,0]=2 1907 B11R0.2 CCSCCNC(=O)CC(C)C 527a_100000106463_100000210554 [0,1,0,0,0,0|1,0,0]=2 1908 B11R0.2 CCSCCNC(=O)CN(C)C 11a_100000106463_100000750896 [0,1,0,0,0,0|2,0,0]=3 1909 B11R0.2 CCSCCNC(=O)CN(C)C 240690a_100000106463_100000750896 [0,1,0,0,0,0|2,0,0]=3 1910 B11R0.2 CCSCCNC(=O)CN(C)C 527a_100000106463_100000750896 [0,1,0,0,0,0|2,0,0]=3 1911 B11R0.2 CCSCCNC(=O)C[C@@H](C)O 240690a_100000106463_100011933948 [0,1,0,0,0,0|2,0,0]=3 1912 B11R0.2 CCSCCNC(=O)C[S+](C)C 11a_100000106463_200159257847 [0,1,0,0,0,0|2,0,0]=3 1913 B11R0.2 CCSCCNC(=O)C[S+](C)C 1626a_100000106463_200159257847 [0,1,0,0,0,0|2,0,0]=3 1914 B11R0.2 CCSCCNC(=O)C[S+](C)C 240690a_100000106463_200159257847 [0,1,0,0,0,0|2,0,0]=3 1915 B11R0.2 CCSCCNC(=O)C[S+](C)C 527a_100000106463_200159257847 [0,1,0,0,0,0|2,0,0]=3 1916 B11R0.2 CCSCCNC(=O)NC(C)C 2708a_100000106463_100138425928 [0,1,0,0,0,0|2,0,0]=3 1917 B11R0.2 CCSCCNC(=O)NC(C)C 2708a_100138425928_100000106463 [0,1,0,0,0,0|2,0,0]=3 1918 B11R0.2 CCSCCNC(=O)NC(C)C 273464a_100138425928_100000106463 [0,1,0,0,0,0|2,0,0]=3 1919 B11R0.2 CCSCCNC(=O)NC(C)C 512a_100000106463_100138425928 [0,1,0,0,0,0|2,0,0]=3 1920 B11R0.2 CCSCCNC(=O)NC(C)C 512a_100138425928_100000106463 [0,1,0,0,0,0|2,0,0]=3 1921 B11R0.2 CCSCCNC(C)CC(C)C 2230a_100000106463_100000731052 [0,1,0,0,0,0|2,0,1]=4 1922 B11R0.2 CCSCCNC(C)CC(C)C 2230a_100000692259_100000757381 [0,1,0,0,0,0|2,0,1]=4 1923 B11R0.2 CCSCCOC(=O)CC(=O)C 62a_100000102702_100000210202 [0,1,0,0,0,0|1,0,1]=3 1924 B11R0.2 CCSCCOC(=O)CC(=O)C 62a_100000210202_100000102702 [0,1,0,0,0,0|1,0,1]=3 1925 B11R0.2 CCSCCOC(C)CC(C)C 34a_100000211805_100000757381 [0,1,0,0,0,0|1,0,1]=3 1926 B11R0.2 CCSCCOC(C)CC(C)C 34a_100000212035_100000731052 [0,1,0,0,0,0|1,0,1]=3 1927 B11R0.2 CCSCCOC(C)CC(C)C 7a_100000211805_100000757381 [0,1,0,0,0,0|1,0,1]=3 1928 B11R0.2 CCSCCOC(C)CC(C)C 7a_100000212035_100000731052 [0,1,0,0,0,0|1,0,1]=3 1929 B11R0.2 CCSCCSC(C)CC(C)C 62a_100000731052_100000757381 [0,1,0,0,0,0|1,1,1]=4 1930 B11R0.2 CCSCCSC(C)CC(C)C 62a_100000757381_100000731052 [0,1,0,0,0,0|1,1,1]=4 1931 B11R0.2 CN(C)CC(=O)CCCCC#N 1458a_100000750896_100000211819 [0,1,0,0,0,0|2,0,1]=4 1932 B11R0.2 CN(C)CC(=O)CCCCCF 1458a_100000750896_100000729378 [0,1,0,0,0,0|2,0,0]=3 1933 B11R0.2 CN(C)CC(=O)CCCCCO 1458a_100000750896_100000746330 [0,1,0,0,0,0|2,0,0]=3 1934 B11R0.2 CN(C)CC(=O)CCOCCO 1458a_100000750896_100011215305 [0,1,0,0,0,0|3,0,0]=4 1935 B11R0.2 CN(C)CC(=O)NCCCCO 240690a_100000750430_100000750896 [0,1,0,0,0,0|2,0,0]=3 1936 B11R0.2 CN(C)CC(=O)NCCCCO 527a_100000750430_100000750896 [0,1,0,0,0,0|2,0,0]=3 1937 B11R0.2 CNCCCOC(C)CC(C)C 34a_100000213112_100000731052 [0,1,0,0,0,0|1,0,1]=3 1938 B11R0.2 COCCCCC(=O)C=C(C)C 1458a_100000211388_100000755781 [0,1,0,0,0,0|1,0,2]=4 1939 B11R0.2 COCCCCC(=O)CC(C)C 1458a_100000210554_100000755781 [0,1,0,0,0,0|1,0,0]=2 1940 B11R0.2 COCCCCC(=O)CN(C)C 1458a_100000750896_100000755781 [0,1,0,0,0,0|2,0,0]=3 1941 B11R0.2 COCCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000755781 [0,1,0,0,0,0|2,0,0]=3 1942 B11R0.2 COCCCCC(=O)C[S+](C)C 1458a_200159257847_100000755781 [0,1,0,0,0,0|2,0,0]=3 1943 B11R0.2 COCCCCN(C)CC(C)C 2230a_100000747067_100000730899 [0,1,0,0,0,0|3,0,0]=4 1944 B11R0.2 COCCCCN(C)CC(C)C 269982a_100000747067_100000730899 [0,1,0,0,0,0|3,0,0]=4 1945 B11R0.2 COCCCNC(=O)C=C(C)C 1626a_100150723488_100000211388 [0,1,0,0,0,0|1,0,2]=4 1946 B11R0.2 COCCCNC(=O)C=C(C)C 240690a_100150723488_100000211388 [0,1,0,0,0,0|1,0,2]=4 1947 B11R0.2 COCCCNC(=O)CC(=O)C 1458a_100000070787_100000183178 [0,1,0,0,0,0|2,0,1]=4 1948 B11R0.2 COCCCNC(=O)CC(C)C 1626a_100150723488_100000210554 [0,1,0,0,0,0|1,0,0]=2 1949 B11R0.2 COCCCNC(=O)CC(C)C 240690a_100150723488_100000210554 [0,1,0,0,0,0|1,0,0]=2 1950 B11R0.2 COCCCNC(=O)CC(C)C 527a_100150723488_100000210554 [0,1,0,0,0,0|1,0,0]=2 1951 B11R0.2 COCCCNC(=O)CN(C)C 2230a_100000168148_200000210301 [0,1,0,0,0,0|2,0,0]=3 1952 B11R0.2 COCCCNC(=O)CN(C)C 2230a_100102631434_100000183178 [0,1,0,0,0,0|2,0,0]=3 1953 B11R0.2 COCCCNC(=O)CN(C)C 240690a_100150723488_100000750896 [0,1,0,0,0,0|2,0,0]=3 1954 B11R0.2 COCCCNC(=O)CN(C)C 269982a_100000168148_200000210301 [0,1,0,0,0,0|2,0,0]=3 1955 B11R0.2 COCCCNC(=O)CN(C)C 269982a_100102631434_100000183178 [0,1,0,0,0,0|2,0,0]=3 1956 B11R0.2 COCCCNC(=O)CN(C)C 527a_100150723488_100000750896 [0,1,0,0,0,0|2,0,0]=3 1957 B11R0.2 COCCCNC(=O)CN(C)[13CH3] 2230a_100000168148_200025704644 [0,1,0,0,0,0|2,0,0]=3 1958 B11R0.2 COCCCNC(=O)CN(C)[13CH3] 269982a_100000168148_200025704644 [0,1,0,0,0,0|2,0,0]=3 1959 B11R0.2 COCCCNC(=O)C[C@@H](C)O 240690a_100150723488_100011933948 [0,1,0,0,0,0|2,0,0]=3 1960 B11R0.2 COCCCNC(=O)C[S+](C)C 1626a_100150723488_200159257847 [0,1,0,0,0,0|2,0,0]=3 1961 B11R0.2 COCCCNC(=O)C[S+](C)C 240690a_100150723488_200159257847 [0,1,0,0,0,0|2,0,0]=3 1962 B11R0.2 COCCCNC(=O)C[S+](C)C 527a_100150723488_200159257847 [0,1,0,0,0,0|2,0,0]=3 1963 B11R0.2 COCCCNC(=O)NC(C)C 2708a_100138425928_100150723488 [0,1,0,0,0,0|2,0,0]=3 1964 B11R0.2 COCCCNC(=O)NC(C)C 2708a_100150723488_100138425928 [0,1,0,0,0,0|2,0,0]=3 1965 B11R0.2 COCCCNC(=O)NC(C)C 273464a_100138425928_100150723488 [0,1,0,0,0,0|2,0,0]=3 1966 B11R0.2 COCCCNC(=O)NC(C)C 512a_100138425928_100150723488 [0,1,0,0,0,0|2,0,0]=3 1967 B11R0.2 COCCCNC(C)CC(C)C 2230a_100000692259_100000740836 [0,1,0,0,0,0|2,0,1]=4 1968 B11R0.2 COCCCNC(C)CC(C)C 34a_100150723488_100000731052 [0,1,0,0,0,0|2,0,1]=4 1969 B11R0.2 COCCCOC(C)CC(C)C 34a_100000211805_100000740836 [0,1,0,0,0,0|1,0,1]=3 1970 B11R0.2 COCCCOC(C)CC(C)C 34a_100000740835_100000731052 [0,1,0,0,0,0|1,0,1]=3 1971 B11R0.2 COCCCOC(C)CC(C)C 7a_100000211805_100000740836 [0,1,0,0,0,0|1,0,1]=3 1972 B11R0.2 COCCCSC(C)CC(C)C 62a_100000709357_100000731052 [0,1,0,0,0,0|1,1,1]=4 1973 B11R0.2 COCCCSC(C)CC(C)C 62a_100000731052_100000709357 [0,1,0,0,0,0|1,1,1]=4 1974 B11R0.2 COCCNCC(=O)NC(C)C 2230a_100000168517_100011201679 [0,1,0,0,0,0|3,0,0]=4 1975 B11R0.2 COCCNCC(=O)NC(C)C 2230a_100000209980_100000183996 [0,1,0,0,0,0|3,0,0]=4 1976 B11R0.2 COCCNCC(=O)OC(C)C 2230a_100000209980_100011215430 [0,1,0,0,0,0|3,0,0]=4 1977 B11R0.2 COCCNNC(=O)CC(C)C 22a_100000741390_100000210554 [0,1,0,0,0,0|2,0,0]=3 1978 B11R0.2 COCCNNC(=O)CN(C)C 22a_100000741390_100000750896 [0,1,0,0,0,0|3,0,0]=4 1979 B11R0.2 COCCNNC(=O)C[C@@H](C)O 22a_100000741390_100011933948 [0,1,0,0,0,0|3,0,0]=4 1980 B11R0.2 COCCNNC(=O)C[S+](C)C 22a_100000741390_200159257847 [0,1,0,0,0,0|3,0,0]=4 1981 B11R0.2 COCCNNC(=O)NC(C)C 273464a_100138425928_100000741390 [0,1,0,0,0,0|3,0,0]=4 1982 B11R0.2 COCCOCC(=O)CC(C)C 1458a_100000211095_100000210624 [0,1,0,0,0,0|1,0,0]=2 1983 B11R0.2 COCCOCC(=O)CC(C)O 1458a_100000211095_100011218427 [0,1,0,0,0,0|2,0,0]=3 1984 B11R0.2 COCCOCC(=O)CC(F)F 1458a_100000211095_100011934356 [0,1,0,0,0,0|3,0,0]=4 1985 B11R0.2 COCCOCC(=O)NC(C)C 11a_100138425928_100000211095 [0,1,0,0,0,0|2,0,0]=3 1986 B11R0.2 COCCOCC(=O)NC(C)C 1626a_100138425928_100000211095 [0,1,0,0,0,0|2,0,0]=3 1987 B11R0.2 COCCOCC(=O)NC(C)C 240690a_100138425928_100000211095 [0,1,0,0,0,0|2,0,0]=3 1988 B11R0.2 COCCOCC(=O)NC(C)C 34a_100000210237_100000183996 [0,1,0,0,0,0|2,0,0]=3 1989 B11R0.2 COCCOCC(=O)NC(C)C 527a_100138425928_100000211095 [0,1,0,0,0,0|2,0,0]=3 1990 B11R0.2 COCCOCC(=O)OC(C)C 34a_100000210237_100011215430 [0,1,0,0,0,0|2,0,0]=3 1991 B11R0.2 COCCOCN(C)CC(C)C 2230a_100000747067_100000231047 [0,1,0,0,0,0|3,0,0]=4 1992 B11R0.2 COCCOCN(C)CC(C)C 269982a_100000747067_100000231047 [0,1,0,0,0,0|3,0,0]=4 1993 B11R0.2 COCCOC[C@@H](N)CC(C)C 34a_100011830311_100011201679 [0,1,0,0,0,0|2,0,1]=4 1994 B11R0.2 COCCSCC(=O)NC(C)C 62a_100000183996_100000233755 [0,1,0,0,0,0|2,1,0]=4 1995 B11R0.2 COCCSCC(=O)NC(C)C 62a_100000233755_100000183996 [0,1,0,0,0,0|2,1,0]=4 1996 B11R0.2 COCCSCC(=O)OC(C)C 62a_100000233755_100011215430 [0,1,0,0,0,0|2,1,0]=4 1997 B11R0.2 COCCSCC(=O)OC(C)C 62a_100011215430_100000233755 [0,1,0,0,0,0|2,1,0]=4 1998 B11R0.2 COCSCCC(=O)NC(C)C 62a_100000737564_100000766300 [0,1,0,0,0,0|3,0,0]=4 1999 B11R0.2 COCSCCC(=O)NC(C)C 62a_100000766300_100000737564 [0,1,0,0,0,0|3,0,0]=4 2000 B11R0.2 COCSCCC(=O)OC(C)C 62a_100000760027_100000766300 [0,1,0,0,0,0|3,0,0]=4 2001 B11R0.2 COCSCCC(=O)OC(C)C 62a_100000766300_100000760027 [0,1,0,0,0,0|3,0,0]=4 2002 B11R0.2 COCSCOC(=O)OC(C)C 62a_100000003507_100000766300 [0,1,0,0,0,0|2,0,0]=3 2003 B11R0.2 COCSCOC(=O)OC(C)C 62a_100000766300_100000003507 [0,1,0,0,0,0|2,0,0]=3 2004 B11R0.2 CSCCCNC(=O)C=C(C)C 11a_100000749238_100000211388 [0,1,0,0,0,0|1,0,2]=4 2005 B11R0.2 CSCCCNC(=O)C=C(C)C 1626a_100000749238_100000211388 [0,1,0,0,0,0|1,0,2]=4 2006 B11R0.2 CSCCCNC(=O)C=C(C)C 240690a_100000749238_100000211388 [0,1,0,0,0,0|1,0,2]=4 2007 B11R0.2 CSCCCNC(=O)CC(C)C 11a_100000749238_100000210554 [0,1,0,0,0,0|1,0,0]=2 2008 B11R0.2 CSCCCNC(=O)CC(C)C 1626a_100000749238_100000210554 [0,1,0,0,0,0|1,0,0]=2 2009 B11R0.2 CSCCCNC(=O)CC(C)C 240690a_100000749238_100000210554 [0,1,0,0,0,0|1,0,0]=2 2010 B11R0.2 CSCCCNC(=O)CC(C)C 527a_100000749238_100000210554 [0,1,0,0,0,0|1,0,0]=2 2011 B11R0.2 CSCCCNC(=O)CN(C)C 11a_100000749238_100000750896 [0,1,0,0,0,0|2,0,0]=3 2012 B11R0.2 CSCCCNC(=O)CN(C)C 240690a_100000749238_100000750896 [0,1,0,0,0,0|2,0,0]=3 2013 B11R0.2 CSCCCNC(=O)CN(C)C 527a_100000749238_100000750896 [0,1,0,0,0,0|2,0,0]=3 2014 B11R0.2 CSCCCNC(=O)C[C@@H](C)O 240690a_100000749238_100011933948 [0,1,0,0,0,0|2,0,0]=3 2015 B11R0.2 CSCCCNC(=O)C[S+](C)C 11a_100000749238_200159257847 [0,1,0,0,0,0|2,0,0]=3 2016 B11R0.2 CSCCCNC(=O)C[S+](C)C 1626a_100000749238_200159257847 [0,1,0,0,0,0|2,0,0]=3 2017 B11R0.2 CSCCCNC(=O)C[S+](C)C 240690a_100000749238_200159257847 [0,1,0,0,0,0|2,0,0]=3 2018 B11R0.2 CSCCCNC(=O)C[S+](C)C 527a_100000749238_200159257847 [0,1,0,0,0,0|2,0,0]=3 2019 B11R0.2 CSCCCNC(=O)NC(C)C 2708a_100000749238_100138425928 [0,1,0,0,0,0|2,0,0]=3 2020 B11R0.2 CSCCCNC(=O)NC(C)C 2708a_100138425928_100000749238 [0,1,0,0,0,0|2,0,0]=3 2021 B11R0.2 CSCCCNC(=O)NC(C)C 273464a_100138425928_100000749238 [0,1,0,0,0,0|2,0,0]=3 2022 B11R0.2 CSCCCNC(=O)NC(C)C 512a_100000749238_100138425928 [0,1,0,0,0,0|2,0,0]=3 2023 B11R0.2 CSCCCNC(=O)NC(C)C 512a_100138425928_100000749238 [0,1,0,0,0,0|2,0,0]=3 2024 B11R0.2 CSCCCNC(C)CC(C)C 2230a_100000749238_100000731052 [0,1,0,0,0,0|2,0,1]=4 2025 B11R0.2 CSCCCOC(C)CC(C)C 34a_100000690336_100000731052 [0,1,0,0,0,0|1,0,1]=3 2026 B11R0.2 CSCCCOC(C)CC(C)C 7a_100000690336_100000731052 [0,1,0,0,0,0|1,0,1]=3 2027 B11R0.2 CSCCNCC(=O)NC(C)C 2230a_100000168517_100000751147 [0,1,0,0,0,0|3,0,0]=4 2028 B11R0.2 CSCCNCC(=O)NC(C)C 2230a_100020590264_100000183996 [0,1,0,0,0,0|3,0,0]=4 2029 B11R0.2 CSCCNCC(=O)OC(C)C 2230a_100020590264_100011215430 [0,1,0,0,0,0|3,0,0]=4 2030 B11R0.2 CSCCOCC(=O)NC(C)C 34a_100000230434_100000183996 [0,1,0,0,0,0|2,0,0]=3 2031 B11R0.2 CSCCOCC(=O)NC(C)C 7a_100000230434_100000183996 [0,1,0,0,0,0|2,0,0]=3 2032 B11R0.2 CSCCOCC(=O)OC(C)C 34a_100000230434_100011215430 [0,1,0,0,0,0|2,0,0]=3 2033 B11R0.2 CSCCOCC(=O)OC(C)C 7a_100000230434_100011215430 [0,1,0,0,0,0|2,0,0]=3 2034 B11R0.2 CSCCOC[C@@H](N)CC(C)C 34a_100011830311_100000212216 [0,1,0,0,0,0|2,0,1]=4 2035 B11R0.2 CSCCSCC(=O)NC(C)C 62a_100000183996_100000751147 [0,1,0,0,0,0|2,1,0]=4 2036 B11R0.2 CSCCSCC(=O)NC(C)C 62a_100000212216_100000183996 [0,1,0,0,0,0|2,1,0]=4 2037 B11R0.2 CSCCSCC(=O)OC(C)C 62a_100000212216_100011215430 [0,1,0,0,0,0|2,1,0]=4 2038 B11R0.2 CSCCSCC(=O)OC(C)C 62a_100011215430_100000751147 [0,1,0,0,0,0|2,1,0]=4 2039 B11R0.2 CSCSCCC(=O)NC(C)C 62a_100000737564_100011218213 [0,1,0,0,0,0|3,0,0]=4 2040 B11R0.2 CSCSCCC(=O)NC(C)C 62a_100011218213_100000737564 [0,1,0,0,0,0|3,0,0]=4 2041 B11R0.2 CSCSCCC(=O)OC(C)C 62a_100000760027_100011218213 [0,1,0,0,0,0|3,0,0]=4 2042 B11R0.2 CSCSCCC(=O)OC(C)C 62a_100011218213_100000760027 [0,1,0,0,0,0|3,0,0]=4 2043 B11R0.2 CSCSCOC(=O)OC(C)C 62a_100000003507_100011218213 [0,1,0,0,0,0|2,0,0]=3 2044 B11R0.2 CSCSCOC(=O)OC(C)C 62a_100011218213_100000003507 [0,1,0,0,0,0|2,0,0]=3 2045 B11R0.2 C[C@@H](O)CC(=O)CCCCC#N 1458a_100011933948_100000211819 [0,1,0,0,0,0|2,0,1]=4 2046 B11R0.2 C[C@@H](O)CC(=O)CCCCCF 1458a_100011933948_100000729378 [0,1,0,0,0,0|2,0,0]=3 2047 B11R0.2 C[C@@H](O)CC(=O)CCCCCO 1458a_100011933948_100000746330 [0,1,0,0,0,0|2,0,0]=3 2048 B11R0.2 C[C@@H](O)CC(=O)CCOCCO 1458a_100011933948_100011215305 [0,1,0,0,0,0|3,0,0]=4 2049 B11R0.2 C[C@@H](O)CC(=O)NCCCCO 240690a_100000750430_100011933948 [0,1,0,0,0,0|2,0,0]=3 2050 B11R0.2 C[S+](C)CC(=O)CCCCC#N 1458a_200159257847_100000211819 [0,1,0,0,0,0|2,0,1]=4 2051 B11R0.2 C[S+](C)CC(=O)CCCCCF 1458a_200159257847_100000729378 [0,1,0,0,0,0|2,0,0]=3 2052 B11R0.2 C[S+](C)CC(=O)CCCCCO 1458a_200159257847_100000746330 [0,1,0,0,0,0|2,0,0]=3 2053 B11R0.2 C[S+](C)CC(=O)CCOCCO 1458a_200159257847_100011215305 [0,1,0,0,0,0|3,0,0]=4 2054 B11R0.2 C[S+](C)CC(=O)NCCCCO 240690a_100000750430_200159257847 [0,1,0,0,0,0|2,0,0]=3 2055 B11R0.2 C[S+](C)CC(=O)NCCCCO 527a_100000750430_200159257847 [0,1,0,0,0,0|2,0,0]=3 2056 B11R0.2 O=C(CCCCCO)CC(F)F 1458a_100102619762_100011934356 [0,1,0,0,0,0|3,0,0]=4 2057 B11R0.6 C=C(C)CC(=O)CCCC(C)C 1458a_100011216857_100000748629 [0,1,0,0,0,0|1,0,2]=4 2058 B11R0.6 C=C(C)CCOC(C)CC(C)C 34a_100000211805_100000730704 [0,1,0,0,0,0|1,0,2]=4 2059 B11R0.6 C=C(C)CCOC(C)CC(C)C 34a_100000764851_100000731052 [0,1,0,0,0,0|1,0,2]=4 2060 B11R0.6 C=C(C)CCOC(C)CC(C)C 7a_100000211805_100000730704 [0,1,0,0,0,0|1,0,2]=4 2061 B11R0.6 C=C(C)CNNC(=O)CC(C)C 22a_100000729518_100000210554 [0,1,0,0,0,0|2,0,1]=4 2062 B11R0.6 CC(=CC(=O)CCCC(C)C)C 1458a_100000211388_100011214892 [0,1,0,0,0,0|1,0,2]=4 2063 B11R0.6 CC(=CC(=O)CCCC(C)O)C 1458a_100000211388_200000718107 [0,1,0,0,0,0|1,0,2]=4 2064 B11R0.6 CC(=CC(=O)NCCC(C)C)C 11a_100000210545_100000211388 [0,1,0,0,0,0|1,0,2]=4 2065 B11R0.6 CC(=CC(=O)NCCC(C)C)C 1626a_100000210545_100000211388 [0,1,0,0,0,0|1,0,2]=4 2066 B11R0.6 CC(=CC(=O)NCCC(C)C)C 240690a_100000210545_100000211388 [0,1,0,0,0,0|1,0,2]=4 2067 B11R0.6 CC(=CC(=O)NCCC(C)O)C 240690a_200000755665_100000211388 [0,1,0,0,0,0|1,0,2]=4 2068 B11R0.6 CC(=CCCC(=O)CC(C)C)C 1458a_100000210554_100011217483 [0,1,0,0,0,0|1,0,2]=4 2069 B11R0.6 CC(=CCNC(=O)CC(C)C)C 11a_100000718196_100000210554 [0,1,0,0,0,0|1,0,2]=4 2070 B11R0.6 CC(=CCNC(=O)CC(C)C)C 1626a_100000718196_100000210554 [0,1,0,0,0,0|1,0,2]=4 2071 B11R0.6 CC(=CCNC(=O)CC(C)C)C 527a_100000718196_100000210554 [0,1,0,0,0,0|1,0,2]=4 2072 B11R0.6 CC(=O)CC(=O)OCCN(C)C 269982a_100102631434_100000102702 [0,1,0,0,0,0|2,0,1]=4 2073 B11R0.6 CC(=O)CCCC(=O)CC(C)C 1458a_100000210554_100011215641 [0,1,0,0,0,0|1,0,1]=3 2074 B11R0.6 CC(=O)CCCC(=O)CN(C)C 1458a_100000750896_100011215641 [0,1,0,0,0,0|2,0,1]=4 2075 B11R0.6 CC(=O)CCCC(=O)C[C@@H](C)O 1458a_100011933948_100011215641 [0,1,0,0,0,0|2,0,1]=4 2076 B11R0.6 CC(=O)CCCC(=O)C[S+](C)C 1458a_200159257847_100011215641 [0,1,0,0,0,0|2,0,1]=4 2077 B11R0.6 CC(=O)CCOC(=O)CC(=O)C 1458a_100000070787_100000102702 [0,1,0,0,0,0|1,0,2]=4 2078 B11R0.6 CC(=O)CCOC(C)CC(C)C 34a_100000759926_100000731052 [0,1,0,0,0,0|1,0,2]=4 2079 B11R0.6 CC(=O)CCOC(C)CC(C)C 7a_100000211805_100000053229 [0,1,0,0,0,0|1,0,2]=4 2080 B11R0.6 CC(=O)CCOC(C)CC(C)C 7a_100000759926_100000731052 [0,1,0,0,0,0|1,0,2]=4 2081 B11R0.6 CC(=O)NCCC(=O)CC(C)C 1458a_100000183196_100000210624 [0,1,0,0,0,0|2,0,1]=4 2082 B11R0.6 CC(=O)NCCC(=O)CC(C)C 1458a_100000210554_100000189650 [0,1,0,0,0,0|2,0,1]=4 2083 B11R0.6 CC(=O)OCCC(=O)CC(C)C 1458a_100000210554_100009814007 [0,1,0,0,0,0|2,0,1]=4 2084 B11R0.6 CC(=O)SCCC(=O)CC(C)C 1458a_100000048949_100000210624 [0,1,0,0,0,0|2,0,1]=4 2085 B11R0.6 CC(Br)COCC(=O)NC(C)C 34a_100012180447_100000183996 [0,1,0,0,0,0|3,0,0]=4 2086 B11R0.6 CC(Br)COCC(=O)OC(C)C 34a_100012180447_100011215430 [0,1,0,0,0,0|3,0,0]=4 2087 B11R0.6 CC(C)/C=C/CC(=O)CC(C)C 1458a_100016292215_100000210624 [0,1,0,0,0,0|1,0,2]=4 2088 B11R0.6 CC(C)C=NNC(=O)CC(C)C 4a_100000189787_100000210432 [0,1,0,0,0,0|2,0,1]=4 2089 B11R0.6 CC(C)CC(=O)C=CCN(C)C 1458a_100000754359_100000210624 [0,1,0,0,0,0|2,0,1]=4 2090 B11R0.6 CC(C)CC(=O)CCCC(=O)N 1458a_100000210554_100102525003 [0,1,0,0,0,0|2,0,1]=4 2091 B11R0.6 CC(C)CC(=O)CCCC(C)O 1458a_100000210554_200000718107 [0,1,0,0,0,0|1,0,0]=2 2092 B11R0.6 CC(C)CC(=O)CCCN(C)C 1458a_100000210554_100000695564 [0,1,0,0,0,0|2,0,0]=3 2093 B11R0.6 CC(C)CC(=O)CCC[N+](=O)[O-] 1458a_100016109205_100000210624 [0,1,0,0,0,0|3,0,0]=4 2094 B11R0.6 CC(C)CC(=O)CCOC(C)C 1458a_100000210554_100000211751 [0,1,0,0,0,0|2,0,0]=3 2095 B11R0.6 CC(C)CC(=O)CCSC(C)C 1458a_100000210554_100000730970 [0,1,0,0,0,0|2,0,0]=3 2096 B11R0.6 CC(C)CC(=O)NCCC(=O)N 11a_100000740010_100000210554 [0,1,0,0,0,0|2,0,1]=4 2097 B11R0.6 CC(C)CC(=O)NCCC(=O)N 240690a_100000740010_100000210554 [0,1,0,0,0,0|2,0,1]=4 2098 B11R0.6 CC(C)CC(=O)NCCC(=O)N 527a_100000740010_100000210554 [0,1,0,0,0,0|2,0,1]=4 2099 B11R0.6 CC(C)CC(=O)NCCC(C)O 240690a_200000755665_100000210554 [0,1,0,0,0,0|1,0,0]=2 2100 B11R0.6 CC(C)CC(=O)NCCC(C)O 527a_200000755665_100000210554 [0,1,0,0,0,0|1,0,0]=2 2101 B11R0.6 CC(C)CC(=O)NCCN(C)C 240690a_100000210585_100000210554 [0,1,0,0,0,0|2,0,0]=3 2102 B11R0.6 CC(C)CC(=O)NCCN(C)C 527a_100000210585_100000210554 [0,1,0,0,0,0|2,0,0]=3 2103 B11R0.6 CC(C)CC(=O)NNCC(C)O 22a_200000730056_100000210554 [0,1,0,0,0,0|2,0,0]=3 2104 B11R0.6 CC(C)CC(C)NCCC(C)O 2230a_100000692259_100012276601 [0,1,0,0,0,0|2,0,1]=4 2105 B11R0.6 CC(C)CC(C)NCCC(C)O 2230a_200000755665_100000731052 [0,1,0,0,0,0|2,0,1]=4 2106 B11R0.6 CC(C)CC(C)OCCC(C)Br 34a_100009893172_100000731052 [0,1,0,0,0,0|1,0,1]=3 2107 B11R0.6 CC(C)CC(C)OCCC(C)O 34a_100000211805_100012276601 [0,1,0,0,0,0|1,0,1]=3 2108 B11R0.6 CC(C)CC(C)OCCC(C)O 7a_100000211805_100012276601 [0,1,0,0,0,0|1,0,1]=3 2109 B11R0.6 CC(C)CC(C)OCCC(F)F 34a_100103093639_100000731052 [0,1,0,0,0,0|2,0,1]=4 2110 B11R0.6 CC(C)CC(C)OCCN(C)C 7a_100000211805_100000755713 [0,1,0,0,0,0|2,0,1]=4 2111 B11R0.6 CC(C)CC(C)OCC[C@@H](C)N 34a_100000706166_100000731052 [0,1,0,0,0,0|1,0,1]=3 2112 B11R0.6 CC(C)CC(C)OCOC(C)C 34a_100000211805_100000709892 [0,1,0,0,0,0|2,0,1]=4 2113 B11R0.6 CC(C)CC(C)SCCC(C)O 62a_100000731052_100012276601 [0,1,0,0,0,0|1,1,1]=4 2114 B11R0.6 CC(C)CC(C)SCCC(C)O 62a_100012276601_100000731052 [0,1,0,0,0,0|1,1,1]=4 2115 B11R0.6 CC(C)CCCC(=O)CC(C)C 1458a_100000210554_100011214892 [0,1,0,0,0,0|1,0,0]=2 2116 B11R0.6 CC(C)CCCC(=O)CC(C)C 1458a_100011216857_100000210624 [0,1,0,0,0,0|1,0,0]=2 2117 B11R0.6 CC(C)CCCC(=O)CC(C)O 1458a_100011216857_100011218427 [0,1,0,0,0,0|2,0,0]=3 2118 B11R0.6 CC(C)CCCC(=O)CC(F)F 1458a_100011216857_100011934356 [0,1,0,0,0,0|3,0,0]=4 2119 B11R0.6 CC(C)CCCC(=O)CN(C)C 1458a_100000750896_100011214892 [0,1,0,0,0,0|2,0,0]=3 2120 B11R0.6 CC(C)CCCC(=O)C[C@@H](C)O 1458a_100011933948_100011214892 [0,1,0,0,0,0|2,0,0]=3 2121 B11R0.6 CC(C)CCCC(=O)C[S+](C)C 1458a_200159257847_100011214892 [0,1,0,0,0,0|2,0,0]=3 2122 B11R0.6 CC(C)CCCC(=O)NC(C)C 11a_100138425928_100011216857 [0,1,0,0,0,0|2,0,0]=3 2123 B11R0.6 CC(C)CCCC(=O)NC(C)C 1626a_100138425928_100011216857 [0,1,0,0,0,0|2,0,0]=3 2124 B11R0.6 CC(C)CCCC(=O)NC(C)C 240690a_100138425928_100011216857 [0,1,0,0,0,0|2,0,0]=3 2125 B11R0.6 CC(C)CCCC(=O)NC(C)C 527a_100138425928_100011216857 [0,1,0,0,0,0|2,0,0]=3 2126 B11R0.6 CC(C)CCCN(C)CC(C)C 2230a_100000747067_100011214892 [0,1,0,0,0,0|3,0,0]=4 2127 B11R0.6 CC(C)CCCN(C)CC(C)C 269982a_100000747067_100011214892 [0,1,0,0,0,0|3,0,0]=4 2128 B11R0.6 CC(C)CCNC(=O)CC(C)C 11a_100000210545_100000210554 [0,1,0,0,0,0|1,0,0]=2 2129 B11R0.6 CC(C)CCNC(=O)CC(C)C 1626a_100000210545_100000210554 [0,1,0,0,0,0|1,0,0]=2 2130 B11R0.6 CC(C)CCNC(=O)CC(C)C 240690a_100000210545_100000210554 [0,1,0,0,0,0|1,0,0]=2 2131 B11R0.6 CC(C)CCNC(=O)CC(C)C 527a_100000210545_100000210554 [0,1,0,0,0,0|1,0,0]=2 2132 B11R0.6 CC(C)CCNC(=O)CN(C)C 11a_100000210545_100000750896 [0,1,0,0,0,0|2,0,0]=3 2133 B11R0.6 CC(C)CCNC(=O)CN(C)C 240690a_100000210545_100000750896 [0,1,0,0,0,0|2,0,0]=3 2134 B11R0.6 CC(C)CCNC(=O)CN(C)C 527a_100000210545_100000750896 [0,1,0,0,0,0|2,0,0]=3 2135 B11R0.6 CC(C)CCNC(=O)C[C@@H](C)O 240690a_100000210545_100011933948 [0,1,0,0,0,0|2,0,0]=3 2136 B11R0.6 CC(C)CCNC(=O)C[S+](C)C 11a_100000210545_200159257847 [0,1,0,0,0,0|2,0,0]=3 2137 B11R0.6 CC(C)CCNC(=O)C[S+](C)C 1626a_100000210545_200159257847 [0,1,0,0,0,0|2,0,0]=3 2138 B11R0.6 CC(C)CCNC(=O)C[S+](C)C 240690a_100000210545_200159257847 [0,1,0,0,0,0|2,0,0]=3 2139 B11R0.6 CC(C)CCNC(=O)C[S+](C)C 527a_100000210545_200159257847 [0,1,0,0,0,0|2,0,0]=3 2140 B11R0.6 CC(C)CCNC(=O)NC(C)C 2708a_100000210545_100138425928 [0,1,0,0,0,0|2,0,0]=3 2141 B11R0.6 CC(C)CCNC(=O)NC(C)C 2708a_100138425928_100000210545 [0,1,0,0,0,0|2,0,0]=3 2142 B11R0.6 CC(C)CCNC(=O)NC(C)C 273464a_100138425928_100000210545 [0,1,0,0,0,0|2,0,0]=3 2143 B11R0.6 CC(C)CCNC(=O)NC(C)C 512a_100000210545_100138425928 [0,1,0,0,0,0|2,0,0]=3 2144 B11R0.6 CC(C)CCNC(=O)NC(C)C 512a_100138425928_100000210545 [0,1,0,0,0,0|2,0,0]=3 2145 B11R0.6 CC(C)CCNC(C)CC(C)C 2230a_100000692259_100000210312 [0,1,0,0,0,0|2,0,1]=4 2146 B11R0.6 CC(C)CCNC(C)CC(C)C 269862a_100000692259_100000185833 [0,1,0,0,0,0|2,0,1]=4 2147 B11R0.6 CC(C)CCOC(C)CC(C)C 34a_100000210254_100000731052 [0,1,0,0,0,0|1,0,1]=3 2148 B11R0.6 CC(C)CCOC(C)CC(C)C 34a_100000211805_100000210312 [0,1,0,0,0,0|1,0,1]=3 2149 B11R0.6 CC(C)CCOC(C)CC(C)C 7a_100000210254_100000731052 [0,1,0,0,0,0|1,0,1]=3 2150 B11R0.6 CC(C)CCOC(C)CC(C)C 7a_100000211805_100000210626 [0,1,0,0,0,0|1,0,1]=3 2151 B11R0.6 CC(C)CCSC(C)CC(C)C 62a_100000210312_100000731052 [0,1,0,0,0,0|1,1,1]=4 2152 B11R0.6 CC(C)CCSC(C)CC(C)C 62a_100000731052_100000210312 [0,1,0,0,0,0|1,1,1]=4 2153 B11R0.6 CC(C)CN(C)CCCC(C)O 2230a_100000747067_200000718107 [0,1,0,0,0,0|3,0,0]=4 2154 B11R0.6 CC(C)CN(C)CCCC(C)O 269982a_100000747067_200000718107 [0,1,0,0,0,0|3,0,0]=4 2155 B11R0.6 CC(C)CNCC(=O)NC(C)C 2230a_100000168517_100000210760 [0,1,0,0,0,0|3,0,0]=4 2156 B11R0.6 CC(C)CNCC(=O)NC(C)C 2230a_100000210953_100000183996 [0,1,0,0,0,0|3,0,0]=4 2157 B11R0.6 CC(C)CNCC(=O)NC(C)C 270004a_100000168517_100000210432 [0,1,0,0,0,0|3,0,0]=4 2158 B11R0.6 CC(C)CNCC(=O)NC(C)C 34a_100000210953_100000183996 [0,1,0,0,0,0|3,0,0]=4 2159 B11R0.6 CC(C)CNCC(=O)OC(C)C 2230a_100000210953_100011215430 [0,1,0,0,0,0|3,0,0]=4 2160 B11R0.6 CC(C)CNCC(=O)OC(C)C 34a_100000210953_100011215430 [0,1,0,0,0,0|3,0,0]=4 2161 B11R0.6 CC(C)CNNC(=O)CC(C)C 22a_100000696102_100000210554 [0,1,0,0,0,0|2,0,0]=3 2162 B11R0.6 CC(C)CNNC(=O)CN(C)C 22a_100000696102_100000750896 [0,1,0,0,0,0|3,0,0]=4 2163 B11R0.6 CC(C)CNNC(=O)C[C@@H](C)O 22a_100000696102_100011933948 [0,1,0,0,0,0|3,0,0]=4 2164 B11R0.6 CC(C)CNNC(=O)C[S+](C)C 22a_100000696102_200159257847 [0,1,0,0,0,0|3,0,0]=4 2165 B11R0.6 CC(C)CNNC(=O)NC(C)C 273464a_100138425928_100000696102 [0,1,0,0,0,0|3,0,0]=4 2166 B11R0.6 CC(C)CNNC(=O)NC(C)C 512a_100000696102_100138425928 [0,1,0,0,0,0|3,0,0]=4 2167 B11R0.6 CC(C)CNNC(=O)NC(C)C 512a_100138425928_100000696102 [0,1,0,0,0,0|3,0,0]=4 2168 B11R0.6 CC(C)COCC(=O)CC(C)C 1458a_100011223364_100000210624 [0,1,0,0,0,0|2,0,0]=3 2169 B11R0.6 CC(C)COCC(=O)CC(C)O 1458a_100011223364_100011218427 [0,1,0,0,0,0|3,0,0]=4 2170 B11R0.6 CC(C)COCC(=O)NC(C)C 11a_100138425928_100011223364 [0,1,0,0,0,0|3,0,0]=4 2171 B11R0.6 CC(C)COCC(=O)NC(C)C 1626a_100138425928_100011223364 [0,1,0,0,0,0|3,0,0]=4 2172 B11R0.6 CC(C)COCC(=O)NC(C)C 240690a_100138425928_100011223364 [0,1,0,0,0,0|3,0,0]=4 2173 B11R0.6 CC(C)COCC(=O)NC(C)C 34a_100000210257_100000183996 [0,1,0,0,0,0|3,0,0]=4 2174 B11R0.6 CC(C)COCC(=O)NC(C)C 527a_100138425928_100011223364 [0,1,0,0,0,0|3,0,0]=4 2175 B11R0.6 CC(C)COCC(=O)OC(C)C 34a_100000210257_100011215430 [0,1,0,0,0,0|3,0,0]=4 2176 B11R0.6 CC(C)CSCC(=O)NC(C)C 62a_100000183996_100000210760 [0,1,0,0,0,0|3,0,0]=4 2177 B11R0.6 CC(C)CSCC(=O)NC(C)C 62a_100000210624_100000183996 [0,1,0,0,0,0|3,0,0]=4 2178 B11R0.6 CC(C)CSCC(=O)OC(C)C 62a_100000210624_100011215430 [0,1,0,0,0,0|3,0,0]=4 2179 B11R0.6 CC(C)CSCC(=O)OC(C)C 62a_100011215430_100000210760 [0,1,0,0,0,0|3,0,0]=4 2180 B11R0.6 CC(C)NC(=O)CCCN(C)C 11a_100138425928_100000740757 [0,1,0,0,0,0|3,0,0]=4 2181 B11R0.6 CC(C)NC(=O)CCCN(C)C 240690a_100138425928_100000740757 [0,1,0,0,0,0|3,0,0]=4 2182 B11R0.6 CC(C)NC(=O)CCSC(C)C 62a_100000210206_100000737564 [0,1,0,0,0,0|3,0,0]=4 2183 B11R0.6 CC(C)NC(=O)CCSC(C)C 62a_100000737564_100000210206 [0,1,0,0,0,0|3,0,0]=4 2184 B11R0.6 CC(C)NC(=O)CNC[C@@H](C)O 2230a_100000168517_100009817552 [0,1,0,0,0,0|3,0,0]=4 2185 B11R0.6 CC(C)NC(=O)COC[C@@H](C)Cl 34a_100016084084_100000183996 [0,1,0,0,0,0|3,0,0]=4 2186 B11R0.6 CC(C)NC(=O)COC[C@@H](C)N 34a_100000737577_100000183996 [0,1,0,0,0,0|3,0,0]=4 2187 B11R0.6 CC(C)NC(=O)CSC[C@@H](C)O 62a_100000183996_100009817552 [0,1,0,0,0,0|3,0,0]=4 2188 B11R0.6 CC(C)NC(=O)CSC[C@@H](C)O 62a_100009817552_100000183996 [0,1,0,0,0,0|3,0,0]=4 2189 B11R0.6 CC(C)NC(=O)NCCN(C)C 2708a_100138425928_100000210585 [0,1,0,0,0,0|3,0,0]=4 2190 B11R0.6 CC(C)NC(=O)NCCN(C)C 273464a_100138425928_100000210585 [0,1,0,0,0,0|3,0,0]=4 2191 B11R0.6 CC(C)NC(=O)NCCN(C)C 512a_100138425928_100000210585 [0,1,0,0,0,0|3,0,0]=4 2192 B11R0.6 CC(C)NCCC(=O)NC(C)C 2230a_100138425928_100000737564 [0,1,0,0,0,0|3,0,0]=4 2193 B11R0.6 CC(C)NCCC(=O)OC(C)C 2230a_100138425928_100000760027 [0,1,0,0,0,0|3,0,0]=4 2194 B11R0.6 CC(C)OC(=O)CCSC(C)C 62a_100000210206_100000760027 [0,1,0,0,0,0|3,0,0]=4 2195 B11R0.6 CC(C)OC(=O)CCSC(C)C 62a_100000760027_100000210206 [0,1,0,0,0,0|3,0,0]=4 2196 B11R0.6 CC(C)OC(=O)COC[C@@H](C)Cl 34a_100016084084_100011215430 [0,1,0,0,0,0|3,0,0]=4 2197 B11R0.6 CC(C)OC(=O)COC[C@@H](C)N 34a_100000737577_100011215430 [0,1,0,0,0,0|3,0,0]=4 2198 B11R0.6 CC(C)OC(=O)CSC[C@@H](C)O 62a_100009817552_100011215430 [0,1,0,0,0,0|3,0,0]=4 2199 B11R0.6 CC(C)OC(=O)CSC[C@@H](C)O 62a_100011215430_100009817552 [0,1,0,0,0,0|3,0,0]=4 2200 B11R0.6 CC(C)OC(=O)OCSC(C)C 62a_100000003507_100000210206 [0,1,0,0,0,0|2,0,0]=3 2201 B11R0.6 CC(C)OC(=O)OCSC(C)C 62a_100000210206_100000003507 [0,1,0,0,0,0|2,0,0]=3 2202 B11R0.6 CC(C)OCCC(=O)CN(C)C 1458a_100000750896_100000211751 [0,1,0,0,0,0|3,0,0]=4 2203 B11R0.6 CC(C)OCCC(=O)C[C@@H](C)O 1458a_100011933948_100000211751 [0,1,0,0,0,0|3,0,0]=4 2204 B11R0.6 CC(C)OCCC(=O)C[S+](C)C 1458a_200159257847_100000211751 [0,1,0,0,0,0|3,0,0]=4 2205 B11R0.6 CC(C)SCCC(=O)CN(C)C 1458a_100000750896_100000730970 [0,1,0,0,0,0|3,0,0]=4 2206 B11R0.6 CC(C)SCCC(=O)C[C@@H](C)O 1458a_100011933948_100000730970 [0,1,0,0,0,0|3,0,0]=4 2207 B11R0.6 CC(C)SCCC(=O)C[S+](C)C 1458a_200159257847_100000730970 [0,1,0,0,0,0|3,0,0]=4 2208 B11R0.6 CC(F)COCC(=O)NC(C)C 34a_100015925927_100000183996 [0,1,0,0,0,0|3,0,0]=4 2209 B11R0.6 CC(F)COCC(=O)OC(C)C 34a_100015925927_100011215430 [0,1,0,0,0,0|3,0,0]=4 2210 B11R0.6 CC(O)CCCC(=O)CN(C)C 1458a_100000750896_200000718107 [0,1,0,0,0,0|2,0,0]=3 2211 B11R0.6 CC(O)CCCC(=O)C[C@@H](C)O 1458a_100011933948_200000718107 [0,1,0,0,0,0|2,0,0]=3 2212 B11R0.6 CC(O)CCCC(=O)C[S+](C)C 1458a_200159257847_200000718107 [0,1,0,0,0,0|2,0,0]=3 2213 B11R0.6 CC(O)CCCC(=O)NC(C)C 1626a_100138425928_100000761597 [0,1,0,0,0,0|2,0,0]=3 2214 B11R0.6 CC(O)CCCC(=O)NC(C)C 527a_100138425928_100000761597 [0,1,0,0,0,0|2,0,0]=3 2215 B11R0.6 CC(O)CCNC(=O)CN(C)C 240690a_200000755665_100000750896 [0,1,0,0,0,0|2,0,0]=3 2216 B11R0.6 CC(O)CCNC(=O)CN(C)C 527a_200000755665_100000750896 [0,1,0,0,0,0|2,0,0]=3 2217 B11R0.6 CC(O)CCNC(=O)C[C@@H](C)O 240690a_200000755665_100011933948 [0,1,0,0,0,0|2,0,0]=3 2218 B11R0.6 CC(O)CCNC(=O)C[S+](C)C 240690a_200000755665_200159257847 [0,1,0,0,0,0|2,0,0]=3 2219 B11R0.6 CC(O)CCNC(=O)C[S+](C)C 527a_200000755665_200159257847 [0,1,0,0,0,0|2,0,0]=3 2220 B11R0.6 CC(O)CCNC(=O)NC(C)C 2708a_100138425928_200000755665 [0,1,0,0,0,0|2,0,0]=3 2221 B11R0.6 CC(O)CCNC(=O)NC(C)C 512a_100138425928_200000755665 [0,1,0,0,0,0|2,0,0]=3 2222 B11R0.6 CC(O)CCNC(=O)NC(C)C 512a_200000755665_100138425928 [0,1,0,0,0,0|2,0,0]=3 2223 B11R0.6 CC(O)CNCC(=O)NC(C)C 2230a_100000168517_100011218427 [0,1,0,0,0,0|3,0,0]=4 2224 B11R0.6 CC(O)CNCC(=O)NC(C)C 2230a_100000210904_100000183996 [0,1,0,0,0,0|3,0,0]=4 2225 B11R0.6 CC(O)CNCC(=O)NC(C)C 34a_100000210904_100000183996 [0,1,0,0,0,0|3,0,0]=4 2226 B11R0.6 CC(O)CNCC(=O)OC(C)C 2230a_100000210904_100011215430 [0,1,0,0,0,0|3,0,0]=4 2227 B11R0.6 CC(O)CNCC(=O)OC(C)C 34a_100000210904_100011215430 [0,1,0,0,0,0|3,0,0]=4 2228 B11R0.6 CC(O)CNNC(=O)CN(C)C 22a_200000730056_100000750896 [0,1,0,0,0,0|3,0,0]=4 2229 B11R0.6 CC(O)CNNC(=O)C[C@@H](C)O 22a_200000730056_100011933948 [0,1,0,0,0,0|3,0,0]=4 2230 B11R0.6 CC(O)CNNC(=O)C[S+](C)C 22a_200000730056_200159257847 [0,1,0,0,0,0|3,0,0]=4 2231 B11R0.6 CC(O)CNNC(=O)NC(C)C 512a_100138425928_200000730056 [0,1,0,0,0,0|3,0,0]=4 2232 B11R0.6 CC(O)CNNC(=O)NC(C)C 512a_200000730056_100138425928 [0,1,0,0,0,0|3,0,0]=4 2233 B11R0.6 CC(O)CSCC(=O)NC(C)C 62a_100000183996_100011218427 [0,1,0,0,0,0|3,0,0]=4 2234 B11R0.6 CC(O)CSCC(=O)NC(C)C 62a_100011218427_100000183996 [0,1,0,0,0,0|3,0,0]=4 2235 B11R0.6 CC(O)CSCC(=O)OC(C)C 62a_100011215430_100011218427 [0,1,0,0,0,0|3,0,0]=4 2236 B11R0.6 CC(O)CSCC(=O)OC(C)C 62a_100011218427_100011215430 [0,1,0,0,0,0|3,0,0]=4 2237 B11R0.6 CN(C)CCCC(=O)CN(C)C 1458a_100000750896_100000695564 [0,1,0,0,0,0|3,0,0]=4 2238 B11R0.6 CN(C)CCCC(=O)C[S+](C)C 1458a_200159257847_100000695564 [0,1,0,0,0,0|3,0,0]=4 2239 B11R0.6 CN(C)CCNC(=O)CN(C)C 240690a_100000210585_100000750896 [0,1,0,0,0,0|3,0,0]=4 2240 B11R0.6 CN(C)CCNC(=O)CN(C)C 527a_100000210585_100000750896 [0,1,0,0,0,0|3,0,0]=4 2241 B11R0.6 CN(C)CCNC(=O)C[S+](C)C 240690a_100000210585_200159257847 [0,1,0,0,0,0|3,0,0]=4 2242 B11R0.6 CN(C)CCNC(=O)C[S+](C)C 527a_100000210585_200159257847 [0,1,0,0,0,0|3,0,0]=4 2243 B11R0.6 C[C@@H](O)CC(=O)CCCN(C)C 1458a_100011933948_100000695564 [0,1,0,0,0,0|3,0,0]=4 2244 B11R0.6 C[C@@H](O)CC(=O)NCCN(C)C 240690a_100000210585_100011933948 [0,1,0,0,0,0|3,0,0]=4 2245 B11R0.68 C=C(C)CC(=O)C(C)CCCC 1458a_100000725509_100000748629 [0,1,0,0,0,0|1,0,2]=4 2246 B11R0.68 C=C(C)CC(=O)C(O)CCCC 1458a_100000720857_100000748629 [0,1,0,0,0,0|1,0,2]=4 2247 B11R0.68 C=C(CC(C)C)C(C)NCCC 269862a_100020643023_100009860644 [0,1,0,0,0,0|3,0,0]=4 2248 B11R0.68 C=CCCN(C)C(=O)CC(C)C 11a_100020639649_100000210554 [0,1,0,0,0,0|1,0,2]=4 2249 B11R0.68 C=CCCN(C)C(=O)CC(C)C 1626a_100020639649_100000210554 [0,1,0,0,0,0|1,0,2]=4 2250 B11R0.68 C=CCCN(C)C(=O)CC(C)C 240690a_100020639649_100000210554 [0,1,0,0,0,0|1,0,2]=4 2251 B11R0.68 C=CCCN(C)C(=O)CC(C)C 527a_100020639649_100000210554 [0,1,0,0,0,0|1,0,2]=4 2252 B11R0.68 CC(C)CC(=O)N(C)CCC#N 11a_100000184479_100000210554 [0,1,0,0,0,0|2,0,1]=4 2253 B11R0.68 CC(C)CC(=O)N(C)CCC#N 1626a_100000184479_100000210554 [0,1,0,0,0,0|2,0,1]=4 2254 B11R0.68 CC(C)CC(=O)N(C)CCC#N 240690a_100000184479_100000210554 [0,1,0,0,0,0|2,0,1]=4 2255 B11R0.68 CC(C)CC(=O)N(C)CCC#N 527a_100000184479_100000210554 [0,1,0,0,0,0|2,0,1]=4 2256 B11R0.68 CC(C)CC(=O)N(C)CCCO 240690a_100000213112_100000210554 [0,1,0,0,0,0|2,0,0]=3 2257 B11R0.68 CC(C)CC(=O)N(C)CCCO 527a_100000213112_100000210554 [0,1,0,0,0,0|2,0,0]=3 2258 B11R0.68 CC(C)NC(=O)C(=O)CCCF 1458a_100011220036_100011934791 [0,1,0,0,0,0|3,0,0]=4 2259 B11R0.68 CC(C)NC(=O)C(=O)CCCO 1458a_100011220036_100011215043 [0,1,0,0,0,0|3,0,0]=4 2260 B11R0.68 CC(C)NC(=O)N(C)CCCO 2708a_100138425928_100000213112 [0,1,0,0,0,0|3,0,0]=4 2261 B11R0.68 CC(C)NC(=O)N(C)CCCO 273464a_100138425928_100000213112 [0,1,0,0,0,0|3,0,0]=4 2262 B11R0.68 CCC/C=C(\C)/C(=O)CC(C)C 1458a_200020648666_100000210624 [0,1,0,0,0,0|1,0,1]=3 2263 B11R0.68 CCC/C=C(\C)/C(=O)CC(C)O 1458a_200020648666_100011218427 [0,1,0,0,0,0|2,0,1]=4 2264 B11R0.68 CCC/C=C(\C)/C(=O)NC(C)C 11a_100138425928_200020648666 [0,1,0,0,0,0|2,0,1]=4 2265 B11R0.68 CCC/C=C(\C)/C(=O)NC(C)C 1626a_100138425928_200020648666 [0,1,0,0,0,0|2,0,1]=4 2266 B11R0.68 CCC/C=C(\C)/C(=O)NC(C)C 240690a_100138425928_200020648666 [0,1,0,0,0,0|2,0,1]=4 2267 B11R0.68 CCCCC(=O)C(=O)NC(C)C 1458a_100011220036_100000210211 [0,1,0,0,0,0|2,0,0]=3 2268 B11R0.68 CCCCC(=O)C(C)CC(C)C 1458a_100000210183_100000731052 [0,1,0,0,0,0|2,0,1]=4 2269 B11R0.68 CCCCC(=O)N(C)CC(C)C 11a_100000747067_100000210183 [0,1,0,0,0,0|3,0,0]=4 2270 B11R0.68 CCCCC(=O)N(C)CC(C)C 1626a_100000747067_100000210183 [0,1,0,0,0,0|3,0,0]=4 2271 B11R0.68 CCCCC(=O)N(C)CC(C)C 240690a_100000747067_100000210183 [0,1,0,0,0,0|3,0,0]=4 2272 B11R0.68 CCCCC(=O)N(C)CC(C)C 527a_100000747067_100000210183 [0,1,0,0,0,0|3,0,0]=4 2273 B11R0.68 CCCCC(=O)[C@@H](O)CC(C)C 1458a_100012027011_100000210211 [0,1,0,0,0,0|1,0,2]=4 2274 B11R0.68 CCCCC(C)C(=O)C=C(C)C 1458a_100000211388_200011215066 [0,1,0,0,0,0|1,0,2]=4 2275 B11R0.68 CCCCC(C)C(=O)CC(C)C 1458a_100000210554_200011215066 [0,1,0,0,0,0|1,0,0]=2 2276 B11R0.68 CCCCC(C)C(=O)CC(C)C 1458a_100000725509_100000210624 [0,1,0,0,0,0|1,0,0]=2 2277 B11R0.68 CCCCC(C)C(=O)CC(C)O 1458a_100000725509_100011218427 [0,1,0,0,0,0|2,0,0]=3 2278 B11R0.68 CCCCC(C)C(=O)CC(F)F 1458a_100000725509_100011934356 [0,1,0,0,0,0|3,0,0]=4 2279 B11R0.68 CCCCC(C)C(=O)CN(C)C 1458a_100000750896_200011215066 [0,1,0,0,0,0|2,0,0]=3 2280 B11R0.68 CCCCC(C)C(=O)C[C@@H](C)O 1458a_100011933948_200011215066 [0,1,0,0,0,0|2,0,0]=3 2281 B11R0.68 CCCCC(C)C(=O)C[S+](C)C 1458a_200159257847_200011215066 [0,1,0,0,0,0|2,0,0]=3 2282 B11R0.68 CCCCC(C)C(=O)NC(C)C 11a_100138425928_100000725509 [0,1,0,0,0,0|2,0,0]=3 2283 B11R0.68 CCCCC(C)C(=O)NC(C)C 1626a_100138425928_100000725509 [0,1,0,0,0,0|2,0,0]=3 2284 B11R0.68 CCCCC(C)C(=O)NC(C)C 240690a_100138425928_100000725509 [0,1,0,0,0,0|2,0,0]=3 2285 B11R0.68 CCCCC(C)C(=O)NC(C)C 527a_100138425928_100000725509 [0,1,0,0,0,0|2,0,0]=3 2286 B11R0.68 CCCCC(C)N(C)CC(C)C 2230a_100000747067_200011215066 [0,1,0,0,0,0|3,0,0]=4 2287 B11R0.68 CCCCC(C)N(C)CC(C)C 269982a_100000747067_200011215066 [0,1,0,0,0,0|3,0,0]=4 2288 B11R0.68 CCCCC(C)N(C)CC(C)C 270004a_100000747067_100000210087 [0,1,0,0,0,0|3,0,0]=4 2289 B11R0.68 CCCCC(O)C(=O)CC(C)C 1458a_100000720857_100000210624 [0,1,0,0,0,0|1,0,0]=2 2290 B11R0.68 CCCCC(O)C(=O)CC(C)O 1458a_100000720857_100011218427 [0,1,0,0,0,0|2,0,0]=3 2291 B11R0.68 CCCCC(O)C(=O)CC(F)F 1458a_100000720857_100011934356 [0,1,0,0,0,0|3,0,0]=4 2292 B11R0.68 CCCCC(O)C(=O)NC(C)C 240690a_100138425928_100000720857 [0,1,0,0,0,0|2,0,0]=3 2293 B11R0.68 CCCCC(O)C(=O)NC(C)C 527a_100138425928_100000720857 [0,1,0,0,0,0|2,0,0]=3 2294 B11R0.68 CCCCN(C)C(=O)C=C(C)C 11a_100000207549_100000211388 [0,1,0,0,0,0|1,0,2]=4 2295 B11R0.68 CCCCN(C)C(=O)C=C(C)C 1626a_100000207549_100000211388 [0,1,0,0,0,0|1,0,2]=4 2296 B11R0.68 CCCCN(C)C(=O)C=C(C)C 240690a_100000207549_100000211388 [0,1,0,0,0,0|1,0,2]=4 2297 B11R0.68 CCCCN(C)C(=O)CC(=O)C 1458a_100000070787_100000230175 [0,1,0,0,0,0|2,0,1]=4 2298 B11R0.68 CCCCN(C)C(=O)CC(C)C 11a_100000207549_100000210554 [0,1,0,0,0,0|1,0,0]=2 2299 B11R0.68 CCCCN(C)C(=O)CC(C)C 1626a_100000207549_100000210554 [0,1,0,0,0,0|1,0,0]=2 2300 B11R0.68 CCCCN(C)C(=O)CC(C)C 240690a_100000207549_100000210554 [0,1,0,0,0,0|1,0,0]=2 2301 B11R0.68 CCCCN(C)C(=O)CC(C)C 527a_100000207549_100000210554 [0,1,0,0,0,0|1,0,0]=2 2302 B11R0.68 CCCCN(C)C(=O)CN(C)C 11a_100000207549_100000750896 [0,1,0,0,0,0|2,0,0]=3 2303 B11R0.68 CCCCN(C)C(=O)CN(C)C 2230a_100102631434_100000230175 [0,1,0,0,0,0|2,0,0]=3 2304 B11R0.68 CCCCN(C)C(=O)CN(C)C 240690a_100000207549_100000750896 [0,1,0,0,0,0|2,0,0]=3 2305 B11R0.68 CCCCN(C)C(=O)CN(C)C 269982a_100102631434_100000230175 [0,1,0,0,0,0|2,0,0]=3 2306 B11R0.68 CCCCN(C)C(=O)CN(C)C 527a_100000207549_100000750896 [0,1,0,0,0,0|2,0,0]=3 2307 B11R0.68 CCCCN(C)C(=O)C[C@@H](C)O 240690a_100000207549_100011933948 [0,1,0,0,0,0|2,0,0]=3 2308 B11R0.68 CCCCN(C)C(=O)C[S+](C)C 11a_100000207549_200159257847 [0,1,0,0,0,0|2,0,0]=3 2309 B11R0.68 CCCCN(C)C(=O)C[S+](C)C 1626a_100000207549_200159257847 [0,1,0,0,0,0|2,0,0]=3 2310 B11R0.68 CCCCN(C)C(=O)C[S+](C)C 240690a_100000207549_200159257847 [0,1,0,0,0,0|2,0,0]=3 2311 B11R0.68 CCCCN(C)C(=O)C[S+](C)C 527a_100000207549_200159257847 [0,1,0,0,0,0|2,0,0]=3 2312 B11R0.68 CCCCN(C)C(=O)NC(C)C 2708a_100138425928_100000207549 [0,1,0,0,0,0|2,0,0]=3 2313 B11R0.68 CCCCN(C)C(=O)NC(C)C 273464a_100138425928_100000207549 [0,1,0,0,0,0|2,0,0]=3 2314 B11R0.68 CCCCN(C)C(C)CC(C)C 2230a_100000207549_100000731052 [0,1,0,0,0,0|2,0,1]=4 2315 B11R0.68 CCCCN(C)C(C)CC(C)C 2230a_100000745462_100000210211 [0,1,0,0,0,0|2,0,1]=4 2316 B11R0.68 CCCCN(C)C(C)CC(C)C 269982a_100000207549_100000731052 [0,1,0,0,0,0|2,0,1]=4 2317 B11R0.68 CCCCN(C)C(C)CC(C)C 269982a_100000745462_100000210211 [0,1,0,0,0,0|2,0,1]=4 2318 B11R0.68 CCCNC(=O)C(=O)CC(C)C 1458a_200011297150_100000210624 [0,1,0,0,0,0|2,0,0]=3 2319 B11R0.68 CCCNC(=O)C(=O)CC(C)O 1458a_200011297150_100011218427 [0,1,0,0,0,0|3,0,0]=4 2320 B11R0.68 CCCNC(=O)C(=O)NC(C)C 1626a_100020643023_100011220036 [0,1,0,0,0,0|3,0,0]=4 2321 B11R0.68 CCCNC(=O)C(=O)NC(C)C 1626a_100138425928_200011297150 [0,1,0,0,0,0|3,0,0]=4 2322 B11R0.68 CCCNC(=O)C(=O)NC(C)C 240690a_100020643023_100011220036 [0,1,0,0,0,0|3,0,0]=4 2323 B11R0.68 CCCNC(=O)C(=O)NC(C)C 240690a_100138425928_200011297150 [0,1,0,0,0,0|3,0,0]=4 2324 B11R0.68 CCCNC(=O)C(=O)NC(C)C 527a_100020643023_100011220036 [0,1,0,0,0,0|3,0,0]=4 2325 B11R0.68 CCCNC(=O)C(=O)NC(C)C 527a_100138425928_200011297150 [0,1,0,0,0,0|3,0,0]=4 2326 B11R0.68 CCCNC(C)C(=O)NC(C)C 2230a_100015205314_100000210303 [0,1,0,0,0,0|3,0,0]=4 2327 B11R0.68 CCCNC(C)C(=O)NC(C)C 34a_100015205314_100000210303 [0,1,0,0,0,0|3,0,0]=4 2328 B11R0.68 CCCOC(C)C(=O)NC(C)C 34a_100000210258_100000195394 [0,1,0,0,0,0|3,0,0]=4 2329 B11R0.68 CCCO[C@H](C)C(=O)OC(C)C 34a_100015307928_100000210303 [0,1,0,0,0,0|3,0,0]=4 2330 B11R0.68 CCCO[C@H](C)C(=O)OC(C)C 7a_100015307928_100000210303 [0,1,0,0,0,0|3,0,0]=4 2331 B11R0.68 CCCSC(C)C(=O)NC(C)C 62a_100000195394_100000210303 [0,1,0,0,0,0|3,0,0]=4 2332 B11R0.68 CCCSC(C)C(=O)NC(C)C 62a_100000210303_100000195394 [0,1,0,0,0,0|3,0,0]=4 2333 B11R0.68 CCOC[C@H](N)C(=O)OC(C)C 34a_100121572844_100000210202 [0,1,0,0,0,0|3,0,0]=4 2334 B11R0.68 CN(C)CC(=O)N(C)CCCO 240690a_100000213112_100000750896 [0,1,0,0,0,0|3,0,0]=4 2335 B11R0.68 CN(C)CC(=O)N(C)CCCO 527a_100000213112_100000750896 [0,1,0,0,0,0|3,0,0]=4 2336 B11R0.68 CN(CCCO)C(=O)C[S+](C)C 240690a_100000213112_200159257847 [0,1,0,0,0,0|3,0,0]=4 2337 B11R0.68 CN(CCCO)C(=O)C[S+](C)C 527a_100000213112_200159257847 [0,1,0,0,0,0|3,0,0]=4 2338 B11R0.68 COCCC(=O)C(=O)NC(C)C 1458a_100011220036_100000233755 [0,1,0,0,0,0|3,0,0]=4 2339 B11R0.68 COCCN(C)C(=O)CC(C)C 11a_100000743101_100000210554 [0,1,0,0,0,0|2,0,0]=3 2340 B11R0.68 COCCN(C)C(=O)CC(C)C 1626a_100000743101_100000210554 [0,1,0,0,0,0|2,0,0]=3 2341 B11R0.68 COCCN(C)C(=O)CC(C)C 240690a_100000743101_100000210554 [0,1,0,0,0,0|2,0,0]=3 2342 B11R0.68 COCCN(C)C(=O)CC(C)C 527a_100000743101_100000210554 [0,1,0,0,0,0|2,0,0]=3 2343 B11R0.68 COCCN(C)C(=O)CN(C)C 11a_100000743101_100000750896 [0,1,0,0,0,0|3,0,0]=4 2344 B11R0.68 COCCN(C)C(=O)CN(C)C 240690a_100000743101_100000750896 [0,1,0,0,0,0|3,0,0]=4 2345 B11R0.68 COCCN(C)C(=O)CN(C)C 527a_100000743101_100000750896 [0,1,0,0,0,0|3,0,0]=4 2346 B11R0.68 COCCN(C)C(=O)C[C@@H](C)O 240690a_100000743101_100011933948 [0,1,0,0,0,0|3,0,0]=4 2347 B11R0.68 COCCN(C)C(=O)C[S+](C)C 11a_100000743101_200159257847 [0,1,0,0,0,0|3,0,0]=4 2348 B11R0.68 COCCN(C)C(=O)C[S+](C)C 1626a_100000743101_200159257847 [0,1,0,0,0,0|3,0,0]=4 2349 B11R0.68 COCCN(C)C(=O)C[S+](C)C 240690a_100000743101_200159257847 [0,1,0,0,0,0|3,0,0]=4 2350 B11R0.68 COCCN(C)C(=O)C[S+](C)C 527a_100000743101_200159257847 [0,1,0,0,0,0|3,0,0]=4 2351 B11R0.68 COCCN(C)C(=O)NC(C)C 2708a_100138425928_100000743101 [0,1,0,0,0,0|3,0,0]=4 2352 B11R0.68 COCCN(C)C(=O)NC(C)C 273464a_100138425928_100000743101 [0,1,0,0,0,0|3,0,0]=4 2353 B11R0.68 CSCCC(=O)C(=O)NC(C)C 1458a_100011220036_100000751147 [0,1,0,0,0,0|3,0,0]=4 2354 B11R0.68 CSCCC(O)C(=O)CC(C)C 1458a_100000685904_100000210624 [0,1,0,0,0,0|2,0,0]=3 2355 B11R0.68 CSCCC(O)C(=O)CC(C)O 1458a_100000685904_100011218427 [0,1,0,0,0,0|3,0,0]=4 2356 B11R0.68 CSCCC(O)C(=O)NC(C)C 240690a_100138425928_100000685904 [0,1,0,0,0,0|3,0,0]=4 2357 B11R0.68 CSCCN(C)C(=O)CC(C)C 11a_100000686725_100000210554 [0,1,0,0,0,0|2,0,0]=3 2358 B11R0.68 CSCCN(C)C(=O)CC(C)C 1626a_100000686725_100000210554 [0,1,0,0,0,0|2,0,0]=3 2359 B11R0.68 CSCCN(C)C(=O)CC(C)C 240690a_100000686725_100000210554 [0,1,0,0,0,0|2,0,0]=3 2360 B11R0.68 CSCCN(C)C(=O)CC(C)C 527a_100000686725_100000210554 [0,1,0,0,0,0|2,0,0]=3 2361 B11R0.68 CSCCN(C)C(=O)CN(C)C 11a_100000686725_100000750896 [0,1,0,0,0,0|3,0,0]=4 2362 B11R0.68 CSCCN(C)C(=O)CN(C)C 240690a_100000686725_100000750896 [0,1,0,0,0,0|3,0,0]=4 2363 B11R0.68 CSCCN(C)C(=O)CN(C)C 527a_100000686725_100000750896 [0,1,0,0,0,0|3,0,0]=4 2364 B11R0.68 CSCCN(C)C(=O)C[C@@H](C)O 240690a_100000686725_100011933948 [0,1,0,0,0,0|3,0,0]=4 2365 B11R0.68 CSCCN(C)C(=O)C[S+](C)C 11a_100000686725_200159257847 [0,1,0,0,0,0|3,0,0]=4 2366 B11R0.68 CSCCN(C)C(=O)C[S+](C)C 1626a_100000686725_200159257847 [0,1,0,0,0,0|3,0,0]=4 2367 B11R0.68 CSCCN(C)C(=O)C[S+](C)C 240690a_100000686725_200159257847 [0,1,0,0,0,0|3,0,0]=4 2368 B11R0.68 CSCCN(C)C(=O)C[S+](C)C 527a_100000686725_200159257847 [0,1,0,0,0,0|3,0,0]=4 2369 B11R0.68 CSCCN(C)C(=O)NC(C)C 2708a_100138425928_100000686725 [0,1,0,0,0,0|3,0,0]=4 2370 B11R0.68 CSCCN(C)C(=O)NC(C)C 273464a_100138425928_100000686725 [0,1,0,0,0,0|3,0,0]=4 2371 B11R0.68 C[C@@H](O)CC(=O)N(C)CCCO 240690a_100000213112_100011933948 [0,1,0,0,0,0|3,0,0]=4 2372 B11R0.77 C#CC(CC(C)C)OCCCC 34a_100011215986_100000210210 [0,1,0,0,0,0|1,0,1]=3 2373 B11R0.77 C#CC(CC(C)C)OCCCC 7a_100011215986_100000210211 [0,1,0,0,0,0|1,0,1]=3 2374 B11R0.77 C#CC(CC(C)C)OCCCF 34a_100011215986_100011934791 [0,1,0,0,0,0|2,0,1]=4 2375 B11R0.77 C#CC(CC(C)C)OCCCF 7a_100011215986_100011934791 [0,1,0,0,0,0|2,0,1]=4 2376 B11R0.77 C#CC(CC(C)C)OCCCO 34a_100011215986_100000230001 [0,1,0,0,0,0|2,0,1]=4 2377 B11R0.77 C#CC(CC(C)C)OCCCO 7a_100011215986_100011215043 [0,1,0,0,0,0|2,0,1]=4 2378 B11R0.77 C#CC(CC(C)C)OCCOC 34a_100011215986_100011201679 [0,1,0,0,0,0|2,0,1]=4 2379 B11R0.77 C#CC(CC(C)C)OCCOC 7a_100011215986_100000233755 [0,1,0,0,0,0|2,0,1]=4 2380 B11R0.77 C#CC(CC(C)C)OCCSC 34a_100011215986_100000212216 [0,1,0,0,0,0|2,0,1]=4 2381 B11R0.77 C#CC(CC(C)C)OCCSC 7a_100011215986_100000212216 [0,1,0,0,0,0|2,0,1]=4 2382 B11R0.77 C=CC(CC(C)C)OCCCC 34a_100012186643_100000210210 [0,1,0,0,0,0|1,0,1]=3 2383 B11R0.77 C=CC(CC(C)C)OCCCC 7a_100012186643_100000210211 [0,1,0,0,0,0|1,0,1]=3 2384 B11R0.77 C=CC(CC(C)C)OCCCF 34a_100012186643_100011934791 [0,1,0,0,0,0|2,0,1]=4 2385 B11R0.77 C=CC(CC(C)C)OCCCF 7a_100012186643_100011934791 [0,1,0,0,0,0|2,0,1]=4 2386 B11R0.77 C=CC(CC(C)C)OCCCO 34a_100012186643_100000230001 [0,1,0,0,0,0|2,0,1]=4 2387 B11R0.77 C=CC(CC(C)C)OCCCO 7a_100012186643_100011215043 [0,1,0,0,0,0|2,0,1]=4 2388 B11R0.77 C=CC(CC(C)C)OCCOC 34a_100012186643_100011201679 [0,1,0,0,0,0|2,0,1]=4 2389 B11R0.77 C=CC(CC(C)C)OCCOC 7a_100012186643_100000233755 [0,1,0,0,0,0|2,0,1]=4 2390 B11R0.77 C=CC(CC(C)C)OCCSC 34a_100012186643_100000212216 [0,1,0,0,0,0|2,0,1]=4 2391 B11R0.77 C=CC(CC(C)C)OCCSC 7a_100012186643_100000212216 [0,1,0,0,0,0|2,0,1]=4 2392 B11R0.77 CC(C)CC(C#N)OCCCF 34a_200011294978_100011934791 [0,1,0,0,0,0|2,0,1]=4 2393 B11R0.77 CC(C)CC(C#N)OCCCF 7a_200011294978_100011934791 [0,1,0,0,0,0|2,0,1]=4 2394 B11R0.77 CC(C)CC(C#N)OCCCO 34a_200011294978_100000230001 [0,1,0,0,0,0|2,0,1]=4 2395 B11R0.77 CC(C)CC(C#N)OCCCO 7a_200011294978_100011215043 [0,1,0,0,0,0|2,0,1]=4 2396 B11R0.77 CCCCCN(CC)CC(C)C 2230a_100000738554_100000210326 [0,1,0,0,0,0|3,0,0]=4 2397 B11R0.77 CCCCCN(CC)CC(C)C 269982a_100000738554_100000210215 [0,1,0,0,0,0|3,0,0]=4 2398 B11R0.77 CCCCNC(C#N)CC(C)C 2230a_100000741378_100000210211 [0,1,0,0,0,0|2,0,1]=4 2399 B11R0.77 CCCCN[C@H](CO)CC(C)C 2230a_100011830311_100000210211 [0,1,0,0,0,0|1,0,2]=4 2400 B11R0.77 CCCCN[C@H](CO)CC(C)C 34a_100011830311_100000210210 [0,1,0,0,0,0|1,0,2]=4 2401 B11R0.77 CCCCOC(C#N)CC(C)C 34a_200011294978_100000210210 [0,1,0,0,0,0|1,0,1]=3 2402 B11R0.77 CCCCOC(C#N)CC(C)C 7a_200011294978_100000210211 [0,1,0,0,0,0|1,0,1]=3 2403 B11R0.77 CCCNN=C(CC)CC(C)C 4a_100000740057_100011218768 [0,1,0,0,0,0|3,0,0]=4 2404 B11R0.77 COCCOC(C#N)CC(C)C 34a_200011294978_100011201679 [0,1,0,0,0,0|2,0,1]=4 2405 B11R0.77 COCCOC(C#N)CC(C)C 7a_200011294978_100000233755 [0,1,0,0,0,0|2,0,1]=4 2406 B11R0.77 CSCCOC(C#N)CC(C)C 34a_200011294978_100000212216 [0,1,0,0,0,0|2,0,1]=4 2407 B11R0.77 CSCCOC(C#N)CC(C)C 7a_200011294978_100000212216 [0,1,0,0,0,0|2,0,1]=4 2408 B11R0.107 C=C(C)CC(=O)CCC(C)CC 1458a_100000701222_100000748629 [0,1,0,0,0,0|1,0,2]=4 2409 B11R0.107 CC(C)CC(=O)NCC(=O)CF 1458a_100000194594_100015361967 [0,1,0,0,0,0|2,0,1]=4 2410 B11R0.107 CC(C)CC(=O)NCC(C)CO 240690a_100000744482_100000210554 [0,1,0,0,0,0|2,0,0]=3 2411 B11R0.107 CC(C)CC(=O)NCC(C)CO 527a_100000744482_100000210554 [0,1,0,0,0,0|2,0,0]=3 2412 B11R0.107 CC(C)CC(=O)NC[C@@H](F)CO 240690a_100015665980_100000210554 [0,1,0,0,0,0|2,0,0]=3 2413 B11R0.107 CC(C)CC(=O)NC[C@@H](F)CO 527a_100015665980_100000210554 [0,1,0,0,0,0|2,0,0]=3 2414 B11R0.107 CC(C)CC(=O)NC[C@H](O)CO 240690a_100020644852_100000210554 [0,1,0,0,0,0|2,0,0]=3 2415 B11R0.107 CC(C)CC(=O)NC[C@H](O)CO 527a_100020644852_100000210554 [0,1,0,0,0,0|2,0,0]=3 2416 B11R0.107 CC(C)CC(C)OCC(C)CN 34a_100000744482_100000731052 [0,1,0,0,0,0|2,0,1]=4 2417 B11R0.107 CC(C)CC(C)OCC(Cl)CCl 34a_100000033668_100000731052 [0,1,0,0,0,0|2,0,1]=4 2418 B11R0.107 CC(C)CC(C)OCC(O)CO 34a_100000211805_100011219619 [0,1,0,0,0,0|2,0,1]=4 2419 B11R0.107 CC(C)CC(C)OCC(O)CO 7a_100000211805_100011219619 [0,1,0,0,0,0|2,0,1]=4 2420 B11R0.107 CC(C)CC(C)OC[C@@H](C)CO 34a_100000211805_100000059175 [0,1,0,0,0,0|2,0,1]=4 2421 B11R0.107 CC(C)CC(C)OC[C@@H](C)CO 7a_100000211805_100000059175 [0,1,0,0,0,0|2,0,1]=4 2422 B11R0.107 CC(C)CC(C)OC[C@@H](O)CF 34a_100000211805_100015614560 [0,1,0,0,0,0|2,0,1]=4 2423 B11R0.107 CC(C)CC(C)OC[C@@H](O)CF 7a_100000211805_100015614560 [0,1,0,0,0,0|2,0,1]=4 2424 B11R0.107 CC(C)CC(C)OC[C@@H](O)CO 34a_100000211805_100009815848 [0,1,0,0,0,0|2,0,1]=4 2425 B11R0.107 CC(C)CC(C)OC[C@@H](O)CO 7a_100000211805_100009815848 [0,1,0,0,0,0|2,0,1]=4 2426 B11R0.107 CC(C)CC(C)OC[C@H](F)CN 34a_100015665980_100000731052 [0,1,0,0,0,0|2,0,1]=4 2427 B11R0.107 CC(C)NC(=O)NC[C@@H](F)CO 2708a_100138425928_100015665980 [0,1,0,0,0,0|3,0,0]=4 2428 B11R0.107 CC(C)NC(=O)NC[C@@H](F)CO 273464a_100138425928_100015665980 [0,1,0,0,0,0|3,0,0]=4 2429 B11R0.107 CC(C)NC(=O)NC[C@@H](F)CO 512a_100015665980_100138425928 [0,1,0,0,0,0|3,0,0]=4 2430 B11R0.107 CC(C)NC(=O)NC[C@@H](F)CO 512a_100138425928_100015665980 [0,1,0,0,0,0|3,0,0]=4 2431 B11R0.107 CC(C)NC(=O)NC[C@H](O)CO 2708a_100138425928_100020644852 [0,1,0,0,0,0|3,0,0]=4 2432 B11R0.107 CC(C)NC(=O)NC[C@H](O)CO 273464a_100138425928_100020644852 [0,1,0,0,0,0|3,0,0]=4 2433 B11R0.107 CC(C)OC(=O)OCC(=O)CO 1458a_100000210174_100000003507 [0,1,0,0,0,0|2,0,1]=4 2434 B11R0.107 CC(CO)CNC(=O)CN(C)C 240690a_100000744482_100000750896 [0,1,0,0,0,0|3,0,0]=4 2435 B11R0.107 CC(CO)CNC(=O)CN(C)C 527a_100000744482_100000750896 [0,1,0,0,0,0|3,0,0]=4 2436 B11R0.107 CC(CO)CNC(=O)C[C@@H](C)O 240690a_100000744482_100011933948 [0,1,0,0,0,0|3,0,0]=4 2437 B11R0.107 CC(CO)CNC(=O)C[S+](C)C 240690a_100000744482_200159257847 [0,1,0,0,0,0|3,0,0]=4 2438 B11R0.107 CC(CO)CNC(=O)C[S+](C)C 527a_100000744482_200159257847 [0,1,0,0,0,0|3,0,0]=4 2439 B11R0.107 CC(CO)CNC(=O)NC(C)C 2708a_100138425928_100000744482 [0,1,0,0,0,0|3,0,0]=4 2440 B11R0.107 CC(CO)CNC(=O)NC(C)C 273464a_100138425928_100000744482 [0,1,0,0,0,0|3,0,0]=4 2441 B11R0.107 CC(CO)CNC(=O)NC(C)C 512a_100000744482_100138425928 [0,1,0,0,0,0|3,0,0]=4 2442 B11R0.107 CC(CO)CNC(=O)NC(C)C 512a_100138425928_100000744482 [0,1,0,0,0,0|3,0,0]=4 2443 B11R0.107 CCC(=O)CCC(=O)NC(C)C 1458a_100000210414_100000737564 [0,1,0,0,0,0|2,0,1]=4 2444 B11R0.107 CCC(=O)CCC(=O)OC(C)C 1458a_100000210414_100000760027 [0,1,0,0,0,0|2,0,1]=4 2445 B11R0.107 CCC(=O)CNC(=O)CC(C)C 1458a_100000194594_100000210202 [0,1,0,0,0,0|1,0,1]=3 2446 B11R0.107 CCC(=O)COC(=O)OC(C)C 1458a_100000210414_100000003507 [0,1,0,0,0,0|1,0,1]=3 2447 B11R0.107 CCC(=O)COC(C)CC(C)C 34a_100000725409_100000731052 [0,1,0,0,0,0|1,0,2]=4 2448 B11R0.107 CCC(=O)COC(C)CC(C)C 7a_100000211805_100000747405 [0,1,0,0,0,0|1,0,2]=4 2449 B11R0.107 CCC(=O)NCC(=O)CC(C)C 1458a_100000194589_100000210624 [0,1,0,0,0,0|2,0,1]=4 2450 B11R0.107 CCC(=O)NNC(=O)CC(C)C 22a_100000183195_100000210554 [0,1,0,0,0,0|2,0,1]=4 2451 B11R0.107 CCC(=O)NNC(=O)CC(C)C 22a_100000189787_100000210414 [0,1,0,0,0,0|2,0,1]=4 2452 B11R0.107 CCC(C)CCC(=O)CC(C)C 1458a_100000701222_100000210624 [0,1,0,0,0,0|1,0,0]=2 2453 B11R0.107 CCC(C)CCC(=O)CC(C)O 1458a_100000701222_100011218427 [0,1,0,0,0,0|2,0,0]=3 2454 B11R0.107 CCC(C)CCC(=O)CC(F)F 1458a_100000701222_100011934356 [0,1,0,0,0,0|3,0,0]=4 2455 B11R0.107 CCC(C)CCC(=O)NC(C)C 11a_100138425928_100000701222 [0,1,0,0,0,0|2,0,0]=3 2456 B11R0.107 CCC(C)CCC(=O)NC(C)C 1626a_100138425928_100000701222 [0,1,0,0,0,0|2,0,0]=3 2457 B11R0.107 CCC(C)CCC(=O)NC(C)C 240690a_100138425928_100000701222 [0,1,0,0,0,0|2,0,0]=3 2458 B11R0.107 CCC(C)CCC(=O)NC(C)C 527a_100138425928_100000701222 [0,1,0,0,0,0|2,0,0]=3 2459 B11R0.107 CCC(C)CNC(=O)C=C(C)C 11a_100020588543_100000211388 [0,1,0,0,0,0|1,0,2]=4 2460 B11R0.107 CCC(C)CNC(=O)C=C(C)C 1626a_100020588543_100000211388 [0,1,0,0,0,0|1,0,2]=4 2461 B11R0.107 CCC(C)CNC(=O)C=C(C)C 240690a_100020588543_100000211388 [0,1,0,0,0,0|1,0,2]=4 2462 B11R0.107 CCC(C)CNC(=O)CC(C)C 11a_100020588543_100000210554 [0,1,0,0,0,0|1,0,0]=2 2463 B11R0.107 CCC(C)CNC(=O)CC(C)C 1626a_100020588543_100000210554 [0,1,0,0,0,0|1,0,0]=2 2464 B11R0.107 CCC(C)CNC(=O)CC(C)C 240690a_100020588543_100000210554 [0,1,0,0,0,0|1,0,0]=2 2465 B11R0.107 CCC(C)CNC(=O)CC(C)C 527a_100020588543_100000210554 [0,1,0,0,0,0|1,0,0]=2 2466 B11R0.107 CCC(C)CNC(=O)CN(C)C 11a_100020588543_100000750896 [0,1,0,0,0,0|2,0,0]=3 2467 B11R0.107 CCC(C)CNC(=O)CN(C)C 240690a_100020588543_100000750896 [0,1,0,0,0,0|2,0,0]=3 2468 B11R0.107 CCC(C)CNC(=O)CN(C)C 527a_100020588543_100000750896 [0,1,0,0,0,0|2,0,0]=3 2469 B11R0.107 CCC(C)CNC(=O)C[C@@H](C)O 240690a_100020588543_100011933948 [0,1,0,0,0,0|2,0,0]=3 2470 B11R0.107 CCC(C)CNC(=O)C[S+](C)C 11a_100020588543_200159257847 [0,1,0,0,0,0|2,0,0]=3 2471 B11R0.107 CCC(C)CNC(=O)C[S+](C)C 1626a_100020588543_200159257847 [0,1,0,0,0,0|2,0,0]=3 2472 B11R0.107 CCC(C)CNC(=O)C[S+](C)C 240690a_100020588543_200159257847 [0,1,0,0,0,0|2,0,0]=3 2473 B11R0.107 CCC(C)CNC(=O)C[S+](C)C 527a_100020588543_200159257847 [0,1,0,0,0,0|2,0,0]=3 2474 B11R0.107 CCC(C)CNC(=O)NC(C)C 2708a_100020588543_100138425928 [0,1,0,0,0,0|2,0,0]=3 2475 B11R0.107 CCC(C)CNC(=O)NC(C)C 2708a_100138425928_100020588543 [0,1,0,0,0,0|2,0,0]=3 2476 B11R0.107 CCC(C)CNC(=O)NC(C)C 273464a_100138425928_100020588543 [0,1,0,0,0,0|2,0,0]=3 2477 B11R0.107 CCC(C)CNC(=O)NC(C)C 512a_100020588543_100138425928 [0,1,0,0,0,0|2,0,0]=3 2478 B11R0.107 CCC(C)CNC(=O)NC(C)C 512a_100138425928_100020588543 [0,1,0,0,0,0|2,0,0]=3 2479 B11R0.107 CCC(C)CNC(C)CC(C)C 2230a_100000692259_100000748023 [0,1,0,0,0,0|2,0,1]=4 2480 B11R0.107 CCC(C)CNC(C)CC(C)C 2230a_100020588543_100000731052 [0,1,0,0,0,0|2,0,1]=4 2481 B11R0.107 CCC(C)CNC(C)CC(C)C 270004a_100000692259_100000243153 [0,1,0,0,0,0|2,0,1]=4 2482 B11R0.107 CCC(C)COC(C)CC(C)C 34a_100000211805_100000748023 [0,1,0,0,0,0|1,0,1]=3 2483 B11R0.107 CCC(C)COC(C)CC(C)C 7a_100000211805_100000748023 [0,1,0,0,0,0|1,0,1]=3 2484 B11R0.107 CCC(C)CSC(C)CC(C)C 62a_100000731052_100000748023 [0,1,0,0,0,0|1,1,1]=4 2485 B11R0.107 CCC(C)CSC(C)CC(C)C 62a_100000748023_100000731052 [0,1,0,0,0,0|1,1,1]=4 2486 B11R0.107 CCC(C)NCC(=O)NC(C)C 2230a_100000168517_100000758301 [0,1,0,0,0,0|3,0,0]=4 2487 B11R0.107 CCC(C)NCC(=O)NC(C)C 2230a_100000209981_100000183996 [0,1,0,0,0,0|3,0,0]=4 2488 B11R0.107 CCC(C)NCC(=O)OC(C)C 2230a_100000209981_100011215430 [0,1,0,0,0,0|3,0,0]=4 2489 B11R0.107 CCC(C)NNC(=O)CC(C)C 22a_100000718999_100000210554 [0,1,0,0,0,0|2,0,0]=3 2490 B11R0.107 CCC(C)NNC(=O)CN(C)C 22a_100000718999_100000750896 [0,1,0,0,0,0|3,0,0]=4 2491 B11R0.107 CCC(C)NNC(=O)C[C@@H](C)O 22a_100000718999_100011933948 [0,1,0,0,0,0|3,0,0]=4 2492 B11R0.107 CCC(C)NNC(=O)C[S+](C)C 22a_100000718999_200159257847 [0,1,0,0,0,0|3,0,0]=4 2493 B11R0.107 CCC(C)NNC(=O)NC(C)C 273464a_100138425928_100000718999 [0,1,0,0,0,0|3,0,0]=4 2494 B11R0.107 CCC(C)NNC(=O)NC(C)C 512a_100000718999_100138425928 [0,1,0,0,0,0|3,0,0]=4 2495 B11R0.107 CCC(C)NNC(=O)NC(C)C 512a_100138425928_100000718999 [0,1,0,0,0,0|3,0,0]=4 2496 B11R0.107 CCC(C)OCC(=O)NC(C)C 7a_100000210228_100000183996 [0,1,0,0,0,0|3,0,0]=4 2497 B11R0.107 CCC(C)OCC(=O)OC(C)C 7a_100000210228_100011215430 [0,1,0,0,0,0|3,0,0]=4 2498 B11R0.107 CCC(C)SCC(=O)NC(C)C 62a_100000183996_100000758301 [0,1,0,0,0,0|3,0,0]=4 2499 B11R0.107 CCC(C)SCC(=O)NC(C)C 62a_100000758301_100000183996 [0,1,0,0,0,0|3,0,0]=4 2500 B11R0.107 CCC(C)SCC(=O)OC(C)C 62a_100000758301_100011215430 [0,1,0,0,0,0|3,0,0]=4 2501 B11R0.107 CCC(C)SCC(=O)OC(C)C 62a_100011215430_100000758301 [0,1,0,0,0,0|3,0,0]=4 2502 B11R0.107 CCC(O)CCC(=O)NC(C)C 1626a_100138425928_203496584001 [0,1,0,0,0,0|2,0,0]=3 2503 B11R0.107 CCC(O)CCC(=O)NC(C)C 240690a_100138425928_203496584001 [0,1,0,0,0,0|2,0,0]=3 2504 B11R0.107 CCC(O)CNC(=O)C=C(C)C 11a_100011218483_100000211388 [0,1,0,0,0,0|1,0,2]=4 2505 B11R0.107 CCC(O)CNC(=O)C=C(C)C 240690a_100011218483_100000211388 [0,1,0,0,0,0|1,0,2]=4 2506 B11R0.107 CCC(O)CNC(=O)CC(C)C 11a_100011218483_100000210554 [0,1,0,0,0,0|1,0,0]=2 2507 B11R0.107 CCC(O)CNC(=O)CC(C)C 240690a_100011218483_100000210554 [0,1,0,0,0,0|1,0,0]=2 2508 B11R0.107 CCC(O)CNC(=O)CC(C)C 527a_100011218483_100000210554 [0,1,0,0,0,0|1,0,0]=2 2509 B11R0.107 CCC(O)CNC(=O)CN(C)C 11a_100011218483_100000750896 [0,1,0,0,0,0|2,0,0]=3 2510 B11R0.107 CCC(O)CNC(=O)CN(C)C 240690a_100011218483_100000750896 [0,1,0,0,0,0|2,0,0]=3 2511 B11R0.107 CCC(O)CNC(=O)CN(C)C 527a_100011218483_100000750896 [0,1,0,0,0,0|2,0,0]=3 2512 B11R0.107 CCC(O)CNC(=O)C[C@@H](C)O 240690a_100011218483_100011933948 [0,1,0,0,0,0|2,0,0]=3 2513 B11R0.107 CCC(O)CNC(=O)C[S+](C)C 11a_100011218483_200159257847 [0,1,0,0,0,0|2,0,0]=3 2514 B11R0.107 CCC(O)CNC(=O)C[S+](C)C 240690a_100011218483_200159257847 [0,1,0,0,0,0|2,0,0]=3 2515 B11R0.107 CCC(O)CNC(=O)C[S+](C)C 527a_100011218483_200159257847 [0,1,0,0,0,0|2,0,0]=3 2516 B11R0.107 CCC(O)CNC(=O)NC(C)C 2708a_100138425928_100011218483 [0,1,0,0,0,0|2,0,0]=3 2517 B11R0.107 CCC(O)CNC(=O)NC(C)C 273464a_100138425928_100011218483 [0,1,0,0,0,0|2,0,0]=3 2518 B11R0.107 CCC(O)CNC(=O)NC(C)C 512a_100011218483_100138425928 [0,1,0,0,0,0|2,0,0]=3 2519 B11R0.107 CCC(O)CNC(C)CC(C)C 2230a_100000692259_100011218378 [0,1,0,0,0,0|2,0,1]=4 2520 B11R0.107 CCC(O)CNC(C)CC(C)C 2230a_100011218483_100000731052 [0,1,0,0,0,0|2,0,1]=4 2521 B11R0.107 CCC(O)COC(C)CC(C)C 34a_100000211805_100011218378 [0,1,0,0,0,0|1,0,1]=3 2522 B11R0.107 CCC(O)COC(C)CC(C)C 7a_100000211805_100011218378 [0,1,0,0,0,0|1,0,1]=3 2523 B11R0.107 CCC(O)CSC(C)CC(C)C 62a_100000731052_100011218378 [0,1,0,0,0,0|1,1,1]=4 2524 B11R0.107 CCC(O)CSC(C)CC(C)C 62a_100011218378_100000731052 [0,1,0,0,0,0|1,1,1]=4 2525 B11R0.107 CCN(C)CCC(=O)CC(C)C 1458a_100000755305_100000210624 [0,1,0,0,0,0|2,0,0]=3 2526 B11R0.107 CCN(C)CCC(=O)CC(C)O 1458a_100000755305_100011218427 [0,1,0,0,0,0|3,0,0]=4 2527 B11R0.107 CCN(C)CCC(=O)NC(C)C 2230a_100000225621_100000737564 [0,1,0,0,0,0|3,0,0]=4 2528 B11R0.107 CCN(C)CCC(=O)NC(C)C 240690a_100138425928_100000755305 [0,1,0,0,0,0|3,0,0]=4 2529 B11R0.107 CCN(C)CCC(=O)NC(C)C 269982a_100000225621_100000737564 [0,1,0,0,0,0|3,0,0]=4 2530 B11R0.107 CCN(C)CCC(=O)OC(C)C 2230a_100000225621_100000760027 [0,1,0,0,0,0|3,0,0]=4 2531 B11R0.107 CCN(C)CCC(=O)OC(C)C 269982a_100000225621_100000760027 [0,1,0,0,0,0|3,0,0]=4 2532 B11R0.107 CCN(C)COC(=O)OC(C)C 269982a_100000225621_100010125566 [0,1,0,0,0,0|2,0,0]=3 2533 B11R0.107 CCS(=O)CCC(=O)CC(C)C 1458a_100011387550_100000210624 [0,1,0,0,0,0|2,0,0]=3 2534 B11R0.107 CCS(=O)CCC(=O)CC(C)O 1458a_100011387550_100011218427 [0,1,0,0,0,0|3,0,0]=4 2535 B11R0.107 CCS(=O)CCC(=O)NC(C)C 11a_100138425928_100011387550 [0,1,0,0,0,0|3,0,0]=4 2536 B11R0.107 CCS(=O)CCC(=O)NC(C)C 1626a_100138425928_100011387550 [0,1,0,0,0,0|3,0,0]=4 2537 B11R0.107 CCS(=O)CCC(=O)NC(C)C 240690a_100138425928_100011387550 [0,1,0,0,0,0|3,0,0]=4 2538 B11R0.107 CCS(=O)CCC(=O)NC(C)C 527a_100138425928_100011387550 [0,1,0,0,0,0|3,0,0]=4 2539 B11R0.107 CC[C@H](C)CNC(C)CC(C)C 2230a_100000692259_100009816398 [0,1,0,0,0,0|2,0,1]=4 2540 B11R0.107 CC[C@H](C)COC(C)CC(C)C 34a_100000211805_100009816398 [0,1,0,0,0,0|1,0,1]=3 2541 B11R0.107 CC[C@H](C)COC(C)CC(C)C 7a_100000211805_100009816398 [0,1,0,0,0,0|1,0,1]=3 2542 B11R0.107 CC[C@H](C)COC(C)CC(C)C 7a_100009816381_100000731052 [0,1,0,0,0,0|1,0,1]=3 2543 B11R0.107 CC[C@H](C)CSC(C)CC(C)C 62a_100000731052_100009816398 [0,1,0,0,0,0|1,1,1]=4 2544 B11R0.107 CC[C@H](C)CSC(C)CC(C)C 62a_100009816398_100000731052 [0,1,0,0,0,0|1,1,1]=4 2545 B11R0.107 CN(C)CC(=O)NCC(O)CO 2230a_100102631434_200012027429 [0,1,0,0,0,0|3,0,0]=4 2546 B11R0.107 CN(C)CC(=O)NCC(O)CO 269982a_100102631434_200012027429 [0,1,0,0,0,0|3,0,0]=4 2547 B11R0.107 CN(C)CC(=O)NC[C@@H](F)CO 240690a_100015665980_100000750896 [0,1,0,0,0,0|3,0,0]=4 2548 B11R0.107 CN(C)CC(=O)NC[C@@H](F)CO 527a_100015665980_100000750896 [0,1,0,0,0,0|3,0,0]=4 2549 B11R0.107 CN(C)CC(=O)NC[C@H](O)CO 240690a_100020644852_100000750896 [0,1,0,0,0,0|3,0,0]=4 2550 B11R0.107 CN(C)CC(=O)NC[C@H](O)CO 527a_100020644852_100000750896 [0,1,0,0,0,0|3,0,0]=4 2551 B11R0.107 CNC(=O)CCC(=O)CC(C)C 1458a_100011309844_100000210624 [0,1,0,0,0,0|2,0,1]=4 2552 B11R0.107 CNC(=O)CNC(=O)CC(C)C 11a_100000693194_100000210554 [0,1,0,0,0,0|2,0,1]=4 2553 B11R0.107 CNC(=O)CNC(=O)CC(C)C 11a_106832991635_100000194594 [0,1,0,0,0,0|2,0,1]=4 2554 B11R0.107 CNC(=O)CNC(=O)CC(C)C 1626a_100102657272_100000194594 [0,1,0,0,0,0|2,0,1]=4 2555 B11R0.107 CNC(=O)CNC(=O)CC(C)C 240690a_100000693194_100000210554 [0,1,0,0,0,0|2,0,1]=4 2556 B11R0.107 CNC(=O)CNC(=O)CC(C)C 240690a_100102657272_100000194594 [0,1,0,0,0,0|2,0,1]=4 2557 B11R0.107 CNC(=O)CNC(=O)CC(C)C 527a_100000693194_100000210554 [0,1,0,0,0,0|2,0,1]=4 2558 B11R0.107 CNC(=O)CNC(=O)CC(C)C 527a_100102657272_100000194594 [0,1,0,0,0,0|2,0,1]=4 2559 B11R0.107 COC(=O)CCC(=O)CC(C)C 1458a_100000187943_100000210624 [0,1,0,0,0,0|2,0,1]=4 2560 B11R0.107 COC(=O)CNC(=O)CC(C)C 188690a_100000185156_100000210554 [0,1,0,0,0,0|2,0,1]=4 2561 B11R0.107 COC(C)COC(C)CC(C)C 34a_100000690652_100000731052 [0,1,0,0,0,0|2,0,1]=4 2562 B11R0.107 CO[C@H](C)CNC(=O)CC(C)C 11a_100020591295_100000210554 [0,1,0,0,0,0|2,0,0]=3 2563 B11R0.107 CO[C@H](C)CNC(=O)CC(C)C 1626a_100020591295_100000210554 [0,1,0,0,0,0|2,0,0]=3 2564 B11R0.107 CO[C@H](C)CNC(=O)CC(C)C 240690a_100020591295_100000210554 [0,1,0,0,0,0|2,0,0]=3 2565 B11R0.107 CO[C@H](C)CNC(=O)CC(C)C 527a_100020591295_100000210554 [0,1,0,0,0,0|2,0,0]=3 2566 B11R0.107 CO[C@H](C)CNC(=O)CN(C)C 11a_100020591295_100000750896 [0,1,0,0,0,0|3,0,0]=4 2567 B11R0.107 CO[C@H](C)CNC(=O)CN(C)C 240690a_100020591295_100000750896 [0,1,0,0,0,0|3,0,0]=4 2568 B11R0.107 CO[C@H](C)CNC(=O)CN(C)C 527a_100020591295_100000750896 [0,1,0,0,0,0|3,0,0]=4 2569 B11R0.107 CO[C@H](C)CNC(=O)C[C@@H](C)O 240690a_100020591295_100011933948 [0,1,0,0,0,0|3,0,0]=4 2570 B11R0.107 CO[C@H](C)CNC(=O)C[S+](C)C 11a_100020591295_200159257847 [0,1,0,0,0,0|3,0,0]=4 2571 B11R0.107 CO[C@H](C)CNC(=O)C[S+](C)C 1626a_100020591295_200159257847 [0,1,0,0,0,0|3,0,0]=4 2572 B11R0.107 CO[C@H](C)CNC(=O)C[S+](C)C 240690a_100020591295_200159257847 [0,1,0,0,0,0|3,0,0]=4 2573 B11R0.107 CO[C@H](C)CNC(=O)C[S+](C)C 527a_100020591295_200159257847 [0,1,0,0,0,0|3,0,0]=4 2574 B11R0.107 CO[C@H](C)CNC(=O)NC(C)C 2708a_100020591295_100138425928 [0,1,0,0,0,0|3,0,0]=4 2575 B11R0.107 CO[C@H](C)CNC(=O)NC(C)C 2708a_100138425928_100020591295 [0,1,0,0,0,0|3,0,0]=4 2576 B11R0.107 CO[C@H](C)CNC(=O)NC(C)C 273464a_100138425928_100020591295 [0,1,0,0,0,0|3,0,0]=4 2577 B11R0.107 CO[C@H](C)CNC(=O)NC(C)C 512a_100020591295_100138425928 [0,1,0,0,0,0|3,0,0]=4 2578 B11R0.107 CO[C@H](C)CNC(=O)NC(C)C 512a_100138425928_100020591295 [0,1,0,0,0,0|3,0,0]=4 2579 B11R0.107 C[C@@H](O)CC(=O)NC[C@@H](F)CO 240690a_100015665980_100011933948 [0,1,0,0,0,0|3,0,0]=4 2580 B11R0.107 C[C@@H](O)CC(=O)NC[C@H](O)CO 240690a_100020644852_100011933948 [0,1,0,0,0,0|3,0,0]=4 2581 B11R0.107 C[S+](C)CC(=O)NC[C@@H](F)CO 240690a_100015665980_200159257847 [0,1,0,0,0,0|3,0,0]=4 2582 B11R0.107 C[S+](C)CC(=O)NC[C@@H](F)CO 527a_100015665980_200159257847 [0,1,0,0,0,0|3,0,0]=4 2583 B11R0.107 C[S+](C)CC(=O)NC[C@H](O)CO 240690a_100020644852_200159257847 [0,1,0,0,0,0|3,0,0]=4 2584 B11R0.107 C[S+](C)CC(=O)NC[C@H](O)CO 527a_100020644852_200159257847 [0,1,0,0,0,0|3,0,0]=4 2585 B11R0.139 C#CCCCC(=O)C(C)C(C)C 1458a_100000755409_100000731252 [0,1,0,0,0,0|1,0,2]=4 2586 B11R0.139 C#CCCCC(=O)[C@H](O)C(C)C 1458a_100000691806_100000731252 [0,1,0,0,0,0|1,0,2]=4 2587 B11R0.139 C#CCCNC(=O)C(C)C(C)C 11a_100000755551_100000755409 [0,1,0,0,0,0|1,0,2]=4 2588 B11R0.139 C#CCCNC(=O)C(C)C(C)C 1626a_100000755551_100000755409 [0,1,0,0,0,0|1,0,2]=4 2589 B11R0.139 C#CCCNC(=O)C(C)C(C)C 240690a_100000755551_100000755409 [0,1,0,0,0,0|1,0,2]=4 2590 B11R0.139 C#CCCNC(=O)C(C)C(C)C 527a_100000755551_100000755409 [0,1,0,0,0,0|1,0,2]=4 2591 B11R0.139 C#CCCNC(=O)[C@H](O)C(C)C 240690a_100000755551_100000691806 [0,1,0,0,0,0|1,0,2]=4 2592 B11R0.139 C=CCCCC(=O)C(C)C(C)C 1458a_100000755409_100000757094 [0,1,0,0,0,0|1,0,2]=4 2593 B11R0.139 C=CCCCC(=O)[C@H](O)C(C)C 1458a_100000691806_100000757094 [0,1,0,0,0,0|1,0,2]=4 2594 B11R0.139 C=CCCNC(=O)C(C)C(C)C 11a_100015191253_100000755409 [0,1,0,0,0,0|1,0,2]=4 2595 B11R0.139 C=CCCNC(=O)C(C)C(C)C 1626a_100015191253_100000755409 [0,1,0,0,0,0|1,0,2]=4 2596 B11R0.139 C=CCCNC(=O)C(C)C(C)C 240690a_100015191253_100000755409 [0,1,0,0,0,0|1,0,2]=4 2597 B11R0.139 C=CCCNC(=O)C(C)C(C)C 527a_100015191253_100000755409 [0,1,0,0,0,0|1,0,2]=4 2598 B11R0.139 C=CCCNC(=O)[C@H](O)C(C)C 240690a_100015191253_100000691806 [0,1,0,0,0,0|1,0,2]=4 2599 B11R0.139 CC#CCNC(=O)C(C)C(C)C 11a_100000685387_100000755409 [0,1,0,0,0,0|1,0,2]=4 2600 B11R0.139 CC#CCNC(=O)C(C)C(C)C 1626a_100000685387_100000755409 [0,1,0,0,0,0|1,0,2]=4 2601 B11R0.139 CC#CCNC(=O)C(C)C(C)C 527a_100000685387_100000755409 [0,1,0,0,0,0|1,0,2]=4 2602 B11R0.139 CC(C)C(C)C(=O)CCCC#N 1458a_100000755409_100000211468 [0,1,0,0,0,0|2,0,1]=4 2603 B11R0.139 CC(C)C(C)C(=O)CCCCF 1458a_100000755409_100000729493 [0,1,0,0,0,0|2,0,0]=3 2604 B11R0.139 CC(C)C(C)C(=O)CCCCO 1458a_100000755409_100000210776 [0,1,0,0,0,0|2,0,0]=3 2605 B11R0.139 CC(C)C(C)C(=O)NCCC#N 11a_100000720768_100000755409 [0,1,0,0,0,0|2,0,1]=4 2606 B11R0.139 CC(C)C(C)C(=O)NCCC#N 1626a_100000720768_100000755409 [0,1,0,0,0,0|2,0,1]=4 2607 B11R0.139 CC(C)C(C)C(=O)NCCC#N 240690a_100000720768_100000755409 [0,1,0,0,0,0|2,0,1]=4 2608 B11R0.139 CC(C)C(C)C(=O)NCCC#N 527a_100000720768_100000755409 [0,1,0,0,0,0|2,0,1]=4 2609 B11R0.139 CC(C)C(C)C(=O)NCCCF 11a_100015189416_100000755409 [0,1,0,0,0,0|2,0,0]=3 2610 B11R0.139 CC(C)C(C)C(=O)NCCCF 1626a_100015189416_100000755409 [0,1,0,0,0,0|2,0,0]=3 2611 B11R0.139 CC(C)C(C)C(=O)NCCCF 240690a_100015189416_100000755409 [0,1,0,0,0,0|2,0,0]=3 2612 B11R0.139 CC(C)C(C)C(=O)NCCCF 527a_100015189416_100000755409 [0,1,0,0,0,0|2,0,0]=3 2613 B11R0.139 CC(C)C(C)C(=O)NCCCO 240690a_100000182051_100000755409 [0,1,0,0,0,0|2,0,0]=3 2614 B11R0.139 CC(C)C(C)C(=O)NCCCO 527a_100000182051_100000755409 [0,1,0,0,0,0|2,0,0]=3 2615 B11R0.139 CC(C)C(C)C(=O)NNCCO 22a_100000210001_100000755409 [0,1,0,0,0,0|3,0,0]=4 2616 B11R0.139 CC(C)N(C)C(=O)CCCCO 1626a_200000211004_100000695505 [0,1,0,0,0,0|3,0,0]=4 2617 B11R0.139 CC(C)N(C)C(=O)NCCCF 2708a_100015189416_200000211004 [0,1,0,0,0,0|3,0,0]=4 2618 B11R0.139 CC(C)N(C)C(=O)NCCCF 273464a_100015189416_200000211004 [0,1,0,0,0,0|3,0,0]=4 2619 B11R0.139 CC(C)N(C)C(=O)NCCCO 273464a_100000182051_200000211004 [0,1,0,0,0,0|3,0,0]=4 2620 B11R0.139 CC(C)[C@@H](O)C(=O)CCCC#N 1458a_100000691806_100000211468 [0,1,0,0,0,0|2,0,1]=4 2621 B11R0.139 CC(C)[C@@H](O)C(=O)CCCCF 1458a_100000691806_100000729493 [0,1,0,0,0,0|2,0,0]=3 2622 B11R0.139 CC(C)[C@@H](O)C(=O)CCCCO 1458a_100000691806_100000210776 [0,1,0,0,0,0|2,0,0]=3 2623 B11R0.139 CC(C)[C@@H](O)C(=O)NCCC#N 240690a_100000720768_100000691806 [0,1,0,0,0,0|2,0,1]=4 2624 B11R0.139 CC(C)[C@@H](O)C(=O)NCCCF 240690a_100015189416_100000691806 [0,1,0,0,0,0|2,0,0]=3 2625 B11R0.139 CC(C)[C@@H](O)C(=O)NCCCO 240690a_100000182051_100000691806 [0,1,0,0,0,0|2,0,0]=3 2626 B11R0.139 CC(C)[C@@H](O)C(=O)NNCCO 22a_100000210001_100000691806 [0,1,0,0,0,0|3,0,0]=4 2627 B11R0.139 CC/C=C\CC(=O)C(C)C(C)C 1458a_100000755409_100103147603 [0,1,0,0,0,0|1,0,2]=4 2628 B11R0.139 CC/C=C\CC(=O)[C@H](O)C(C)C 1458a_100000691806_100103147603 [0,1,0,0,0,0|1,0,2]=4 2629 B11R0.139 CCC#CCC(=O)C(C)C(C)C 1458a_100000755409_100009813939 [0,1,0,0,0,0|1,0,2]=4 2630 B11R0.139 CCC#CCC(=O)[C@H](O)C(C)C 1458a_100000691806_100009813939 [0,1,0,0,0,0|1,0,2]=4 2631 B11R0.139 CCCC#CC(=O)N(C)C(C)C 240690a_200000211004_200011218047 [0,1,0,0,0,0|2,0,1]=4 2632 B11R0.139 CCCC=CC(=O)N(C)C(C)C 11a_200000211004_100000212230 [0,1,0,0,0,0|2,0,1]=4 2633 B11R0.139 CCCC=CC(=O)N(C)C(C)C 1626a_200000211004_100000212230 [0,1,0,0,0,0|2,0,1]=4 2634 B11R0.139 CCCC=CC(=O)N(C)C(C)C 240690a_200000211004_100000212230 [0,1,0,0,0,0|2,0,1]=4 2635 B11R0.139 CCCCCC(=O)C(=O)N(C)C 1458a_100011218876_100000210326 [0,1,0,0,0,0|2,0,1]=4 2636 B11R0.139 CCCCCC(=O)C(C)C(=O)C 1458a_100000212188_100000179758 [0,1,0,0,0,0|2,0,1]=4 2637 B11R0.139 CCCCCC(=O)C(C)C(C)C 1458a_100000755409_100000210326 [0,1,0,0,0,0|1,0,0]=2 2638 B11R0.139 CCCCCC(=O)N(C)C(C)C 11a_200000211004_100000212188 [0,1,0,0,0,0|2,0,0]=3 2639 B11R0.139 CCCCCC(=O)N(C)C(C)C 1626a_200000211004_100000212188 [0,1,0,0,0,0|2,0,0]=3 2640 B11R0.139 CCCCCC(=O)N(C)C(C)C 240690a_200000211004_100000212188 [0,1,0,0,0,0|2,0,0]=3 2641 B11R0.139 CCCCCC(=O)N(C)C(C)C 527a_200000211004_100000212188 [0,1,0,0,0,0|2,0,0]=3 2642 B11R0.139 CCCCCC(=O)[C@H](C)N(C)C 1458a_100009822176_100000210326 [0,1,0,0,0,0|2,0,0]=3 2643 B11R0.139 CCCCCC(=O)[C@H](O)C(C)C 1458a_100000691806_100000210326 [0,1,0,0,0,0|1,0,0]=2 2644 B11R0.139 CCCCCN(C)C(C)C(C)C 2230a_100000228512_100000210326 [0,1,0,0,0,0|3,0,0]=4 2645 B11R0.139 CCCCCN(C)C(C)C(C)C 269982a_100000228512_100000210215 [0,1,0,0,0,0|3,0,0]=4 2646 B11R0.139 CCCCNC(=O)C(=O)N(C)C 1626a_100000102301_100011218876 [0,1,0,0,0,0|2,0,1]=4 2647 B11R0.139 CCCCNC(=O)C(=O)N(C)C 240690a_100000102301_100011218876 [0,1,0,0,0,0|2,0,1]=4 2648 B11R0.139 CCCCNC(=O)C(=O)N(C)C 527a_100000102301_100011218876 [0,1,0,0,0,0|2,0,1]=4 2649 B11R0.139 CCCCNC(=O)C(C)C(=O)C 1458a_100000070787_100000735917 [0,1,0,0,0,0|2,0,1]=4 2650 B11R0.139 CCCCNC(=O)C(C)C(C)C 11a_100000102301_100000755409 [0,1,0,0,0,0|1,0,0]=2 2651 B11R0.139 CCCCNC(=O)C(C)C(C)C 1626a_100000102301_100000755409 [0,1,0,0,0,0|1,0,0]=2 2652 B11R0.139 CCCCNC(=O)C(C)C(C)C 240690a_100000102301_100000755409 [0,1,0,0,0,0|1,0,0]=2 2653 B11R0.139 CCCCNC(=O)C(C)C(C)C 527a_100000102301_100000755409 [0,1,0,0,0,0|1,0,0]=2 2654 B11R0.139 CCCCNC(=O)C(C)N(C)C 2230a_100102631434_100000735917 [0,1,0,0,0,0|2,0,0]=3 2655 B11R0.139 CCCCNC(=O)C(C)N(C)C 269982a_100102631434_100000735917 [0,1,0,0,0,0|2,0,0]=3 2656 B11R0.139 CCCCNC(=O)N(C)C(C)C 2708a_100000102301_200000211004 [0,1,0,0,0,0|2,0,0]=3 2657 B11R0.139 CCCCNC(=O)N(C)C(C)C 273464a_100000102301_200000211004 [0,1,0,0,0,0|2,0,0]=3 2658 B11R0.139 CCCCNC(=O)[C@H](C)N(C)C 240690a_100000102301_100009822176 [0,1,0,0,0,0|2,0,0]=3 2659 B11R0.139 CCCCNC(=O)[C@H](C)N(C)C 527a_100000102301_100009822176 [0,1,0,0,0,0|2,0,0]=3 2660 B11R0.139 CCCCNC(=O)[C@H](O)C(C)C 240690a_100000102301_100000691806 [0,1,0,0,0,0|1,0,0]=2 2661 B11R0.139 CCCCOC(=O)C(C)C(=O)C 1458a_100000070787_100000759602 [0,1,0,0,0,0|1,0,1]=3 2662 B11R0.139 CCCCOC(=O)C(C)N(C)C 2230a_100102631434_100000759602 [0,1,0,0,0,0|1,0,0]=2 2663 B11R0.139 CCCCOC(=O)C(C)N(C)C 269982a_100102631434_100000759602 [0,1,0,0,0,0|1,0,0]=2 2664 B11R0.139 CCCCOC(C)C(=O)C(C)C 7a_100000210227_100009893295 [0,1,0,0,0,0|1,0,2]=4 2665 B11R0.139 CCCNNC(=O)C(C)C(C)C 22a_100000740057_100000755409 [0,1,0,0,0,0|2,0,0]=3 2666 B11R0.139 CCCNNC(=O)[C@H](C)N(C)C 22a_100000740057_100009822176 [0,1,0,0,0,0|3,0,0]=4 2667 B11R0.139 CCCNNC(=O)[C@H](O)C(C)C 22a_100000740057_100000691806 [0,1,0,0,0,0|2,0,0]=3 2668 B11R0.139 CCCOCC(=O)N(C)C(C)C 11a_200000211004_100000745993 [0,1,0,0,0,0|3,0,0]=4 2669 B11R0.139 CCCOCC(=O)N(C)C(C)C 1626a_200000211004_100000745993 [0,1,0,0,0,0|3,0,0]=4 2670 B11R0.139 CCCOCC(=O)N(C)C(C)C 240690a_200000211004_100000745993 [0,1,0,0,0,0|3,0,0]=4 2671 B11R0.139 CCCOCC(=O)N(C)C(C)C 34a_100000210258_100000230190 [0,1,0,0,0,0|3,0,0]=4 2672 B11R0.139 CCCOCC(=O)N(C)C(C)C 527a_200000211004_100000745993 [0,1,0,0,0,0|3,0,0]=4 2673 B11R0.139 CCCSCC(=O)N(C)C(C)C 11a_200000211004_100000217233 [0,1,0,0,0,0|3,0,0]=4 2674 B11R0.139 CCCSCC(=O)N(C)C(C)C 1626a_200000211004_100000217233 [0,1,0,0,0,0|3,0,0]=4 2675 B11R0.139 CCCSCC(=O)N(C)C(C)C 240690a_200000211004_100000217233 [0,1,0,0,0,0|3,0,0]=4 2676 B11R0.139 CCCSCC(=O)N(C)C(C)C 527a_200000211004_100000217233 [0,1,0,0,0,0|3,0,0]=4 2677 B11R0.139 CCCSCC(=O)N(C)C(C)C 62a_100000210303_100000230190 [0,1,0,0,0,0|3,0,0]=4 2678 B11R0.139 CCCSCC(=O)N(C)C(C)C 62a_100000230190_100000210303 [0,1,0,0,0,0|3,0,0]=4 2679 B11R0.139 CCOCCC(=O)C(C)C(C)C 1458a_100000755409_100011215890 [0,1,0,0,0,0|2,0,0]=3 2680 B11R0.139 CCOCCC(=O)N(C)C(C)C 11a_200000211004_100000749530 [0,1,0,0,0,0|3,0,0]=4 2681 B11R0.139 CCOCCC(=O)N(C)C(C)C 1626a_200000211004_100000749530 [0,1,0,0,0,0|3,0,0]=4 2682 B11R0.139 CCOCCC(=O)N(C)C(C)C 240690a_200000211004_100000749530 [0,1,0,0,0,0|3,0,0]=4 2683 B11R0.139 CCOCCC(=O)N(C)C(C)C 527a_200000211004_100000749530 [0,1,0,0,0,0|3,0,0]=4 2684 B11R0.139 CCOCCC(=O)[C@H](C)N(C)C 1458a_100009822176_100011215890 [0,1,0,0,0,0|3,0,0]=4 2685 B11R0.139 CCOCCC(=O)[C@H](O)C(C)C 1458a_100000691806_100011215890 [0,1,0,0,0,0|2,0,0]=3 2686 B11R0.139 CCSCCC(=O)C(C)C(C)C 1458a_100000755409_100000757381 [0,1,0,0,0,0|2,0,0]=3 2687 B11R0.139 CCSCCC(=O)N(C)C(C)C 11a_200000211004_100000230768 [0,1,0,0,0,0|3,0,0]=4 2688 B11R0.139 CCSCCC(=O)N(C)C(C)C 1626a_200000211004_100000230768 [0,1,0,0,0,0|3,0,0]=4 2689 B11R0.139 CCSCCC(=O)N(C)C(C)C 240690a_200000211004_100000230768 [0,1,0,0,0,0|3,0,0]=4 2690 B11R0.139 CCSCCC(=O)N(C)C(C)C 527a_200000211004_100000230768 [0,1,0,0,0,0|3,0,0]=4 2691 B11R0.139 CCSCCC(=O)[C@H](C)N(C)C 1458a_100009822176_100000757381 [0,1,0,0,0,0|3,0,0]=4 2692 B11R0.139 CCSCCC(=O)[C@H](O)C(C)C 1458a_100000691806_100000757381 [0,1,0,0,0,0|2,0,0]=3 2693 B11R0.139 COCCCC(=O)C(C)C(C)C 1458a_100000755409_100000740836 [0,1,0,0,0,0|2,0,0]=3 2694 B11R0.139 COCCCC(=O)N(C)C(C)C 11a_200000211004_100000741012 [0,1,0,0,0,0|3,0,0]=4 2695 B11R0.139 COCCCC(=O)N(C)C(C)C 1626a_200000211004_100000741012 [0,1,0,0,0,0|3,0,0]=4 2696 B11R0.139 COCCCC(=O)N(C)C(C)C 240690a_200000211004_100000741012 [0,1,0,0,0,0|3,0,0]=4 2697 B11R0.139 COCCCC(=O)N(C)C(C)C 527a_200000211004_100000741012 [0,1,0,0,0,0|3,0,0]=4 2698 B11R0.139 COCCCC(=O)[C@H](C)N(C)C 1458a_100009822176_100000740836 [0,1,0,0,0,0|3,0,0]=4 2699 B11R0.139 COCCCC(=O)[C@H](O)C(C)C 1458a_100000691806_100000740836 [0,1,0,0,0,0|2,0,0]=3 2700 B11R0.139 COCCNC(=O)C(C)C(C)C 1626a_100000209980_100000755409 [0,1,0,0,0,0|2,0,0]=3 2701 B11R0.139 COCCNC(=O)C(C)C(C)C 240690a_100000209980_100000755409 [0,1,0,0,0,0|2,0,0]=3 2702 B11R0.139 COCCNC(=O)C(C)C(C)C 527a_100000209980_100000755409 [0,1,0,0,0,0|2,0,0]=3 2703 B11R0.139 COCCNC(=O)C(C)N(C)C 2230a_100102631434_100000230274 [0,1,0,0,0,0|3,0,0]=4 2704 B11R0.139 COCCNC(=O)C(C)N(C)C 269982a_100102631434_100000230274 [0,1,0,0,0,0|3,0,0]=4 2705 B11R0.139 COCCNC(=O)N(C)C(C)C 273464a_100000209980_200000211004 [0,1,0,0,0,0|3,0,0]=4 2706 B11R0.139 COCCNC(=O)[C@H](C)N(C)C 240690a_100000209980_100009822176 [0,1,0,0,0,0|3,0,0]=4 2707 B11R0.139 COCCNC(=O)[C@H](C)N(C)C 527a_100000209980_100009822176 [0,1,0,0,0,0|3,0,0]=4 2708 B11R0.139 COCCNC(=O)[C@H](O)C(C)C 240690a_100000209980_100000691806 [0,1,0,0,0,0|2,0,0]=3 2709 B11R0.139 CSCCCC(=O)N(C)C(C)C 11a_200000211004_100000173376 [0,1,0,0,0,0|3,0,0]=4 2710 B11R0.139 CSCCCC(=O)N(C)C(C)C 1626a_200000211004_100000173376 [0,1,0,0,0,0|3,0,0]=4 2711 B11R0.139 CSCCCC(=O)N(C)C(C)C 240690a_200000211004_100000173376 [0,1,0,0,0,0|3,0,0]=4 2712 B11R0.139 CSCCCC(=O)N(C)C(C)C 527a_200000211004_100000173376 [0,1,0,0,0,0|3,0,0]=4 2713 B11R0.139 CSCCNC(=O)C(C)C(C)C 11a_100020590264_100000755409 [0,1,0,0,0,0|2,0,0]=3 2714 B11R0.139 CSCCNC(=O)C(C)C(C)C 1626a_100020590264_100000755409 [0,1,0,0,0,0|2,0,0]=3 2715 B11R0.139 CSCCNC(=O)C(C)C(C)C 240690a_100020590264_100000755409 [0,1,0,0,0,0|2,0,0]=3 2716 B11R0.139 CSCCNC(=O)C(C)C(C)C 527a_100020590264_100000755409 [0,1,0,0,0,0|2,0,0]=3 2717 B11R0.139 CSCCNC(=O)N(C)C(C)C 2708a_100020590264_200000211004 [0,1,0,0,0,0|3,0,0]=4 2718 B11R0.139 CSCCNC(=O)N(C)C(C)C 273464a_100020590264_200000211004 [0,1,0,0,0,0|3,0,0]=4 2719 B11R0.139 CSCCNC(=O)[C@H](C)N(C)C 240690a_100020590264_100009822176 [0,1,0,0,0,0|3,0,0]=4 2720 B11R0.139 CSCCNC(=O)[C@H](C)N(C)C 527a_100020590264_100009822176 [0,1,0,0,0,0|3,0,0]=4 2721 B11R0.139 CSCCNC(=O)[C@H](O)C(C)C 240690a_100020590264_100000691806 [0,1,0,0,0,0|2,0,0]=3 2722 B11R0.139 C[C@@H](C(=O)CCCCF)N(C)C 1458a_100009822176_100000729493 [0,1,0,0,0,0|3,0,0]=4 2723 B11R0.139 C[C@@H](C(=O)CCCCO)N(C)C 1458a_100009822176_100000210776 [0,1,0,0,0,0|3,0,0]=4 2724 B11R0.139 C[C@@H](C(=O)NCCCF)N(C)C 240690a_100015189416_100009822176 [0,1,0,0,0,0|3,0,0]=4 2725 B11R0.139 C[C@@H](C(=O)NCCCF)N(C)C 527a_100015189416_100009822176 [0,1,0,0,0,0|3,0,0]=4 2726 B11R0.139 C[C@@H](C(=O)NCCCO)N(C)C 240690a_100000182051_100009822176 [0,1,0,0,0,0|3,0,0]=4 2727 B11R0.139 C[C@@H](C(=O)NCCCO)N(C)C 527a_100000182051_100009822176 [0,1,0,0,0,0|3,0,0]=4 2728 B11R0.154 C#CC(=O)CC(=O)OCCCC 1458a_100000211873_100000211628 [0,1,0,0,0,0|1,0,2]=4 2729 B11R0.154 C#CC(C)NC(=O)CCCCC 11a_100000707721_100000212188 [0,1,0,0,0,0|2,0,1]=4 2730 B11R0.154 C#CC(C)NC(=O)CCCCC 1626a_100000707721_100000212188 [0,1,0,0,0,0|2,0,1]=4 2731 B11R0.154 C#CC(C)NC(=O)CCCCC 240690a_100000707721_100000212188 [0,1,0,0,0,0|2,0,1]=4 2732 B11R0.154 C#CC(C)NC(=O)CCCCC 527a_100000707721_100000212188 [0,1,0,0,0,0|2,0,1]=4 2733 B11R0.154 C#CC(C)NC(=O)NCCCC 2708a_100000102301_100000707721 [0,1,0,0,0,0|2,0,1]=4 2734 B11R0.154 C#CC(C)NC(=O)NCCCC 2708a_100000707721_100000102301 [0,1,0,0,0,0|2,0,1]=4 2735 B11R0.154 C#CC(C)NC(=O)NCCCC 273464a_100000102301_100000707721 [0,1,0,0,0,0|2,0,1]=4 2736 B11R0.154 C#CC(C)NC(=O)NCCCC 273464a_100000707721_100000102301 [0,1,0,0,0,0|2,0,1]=4 2737 B11R0.154 C#CC(C)NC(=O)NCCCC 512a_100000102301_100000707721 [0,1,0,0,0,0|2,0,1]=4 2738 B11R0.154 C#CC(C)NC(=O)NCCCC 512a_100000707721_100000102301 [0,1,0,0,0,0|2,0,1]=4 2739 B11R0.154 C#CCCCC(=O)CC(C)CC 1458a_100000690238_100000748023 [0,1,0,0,0,0|1,0,2]=4 2740 B11R0.154 C#CCCCC(=O)CC(C)CC 1458a_100000708755_100000731252 [0,1,0,0,0,0|1,0,2]=4 2741 B11R0.154 C#CCCCC(=O)C[C@@H](C)CC 1458a_100000690238_100009816398 [0,1,0,0,0,0|1,0,2]=4 2742 B11R0.154 C#CCCCC(=O)C[C@@H](C)CO 1458a_100000690238_100000059175 [0,1,0,0,0,0|1,0,2]=4 2743 B11R0.154 C#CCCNC(=O)CC(C)CC 11a_100000755551_100000708755 [0,1,0,0,0,0|1,0,2]=4 2744 B11R0.154 C#CCCNC(=O)CC(C)CC 1626a_100000755551_100000708755 [0,1,0,0,0,0|1,0,2]=4 2745 B11R0.154 C#CCCNC(=O)CC(C)CC 240690a_100000755551_100000708755 [0,1,0,0,0,0|1,0,2]=4 2746 B11R0.154 C#CCCNC(=O)CC(C)CC 527a_100000755551_100000708755 [0,1,0,0,0,0|1,0,2]=4 2747 B11R0.154 C=CC(=O)CC(=O)OCCCC 1458a_100000185746_100000211628 [0,1,0,0,0,0|1,0,2]=4 2748 B11R0.154 C=CC(C)CC(=O)CCCCC 1458a_100011934298_100000210326 [0,1,0,0,0,0|1,0,1]=3 2749 B11R0.154 C=CC(C)CC(=O)CCCCF 1458a_100011934298_100000729493 [0,1,0,0,0,0|2,0,1]=4 2750 B11R0.154 C=CC(C)CC(=O)CCCCO 1458a_100011934298_100000210776 [0,1,0,0,0,0|2,0,1]=4 2751 B11R0.154 C=CC(C)CC(=O)CCCOC 1458a_100011934298_100000740836 [0,1,0,0,0,0|2,0,1]=4 2752 B11R0.154 C=CC(C)CC(=O)CCOCC 1458a_100011934298_100011215890 [0,1,0,0,0,0|2,0,1]=4 2753 B11R0.154 C=CC(C)CC(=O)CCSCC 1458a_100011934298_100000757381 [0,1,0,0,0,0|2,0,1]=4 2754 B11R0.154 C=CC(C)CC(=O)NCCCC 11a_100000102301_100011934298 [0,1,0,0,0,0|1,0,1]=3 2755 B11R0.154 C=CC(C)CC(=O)NCCCC 1626a_100000102301_100011934298 [0,1,0,0,0,0|1,0,1]=3 2756 B11R0.154 C=CC(C)CC(=O)NCCCC 240690a_100000102301_100011934298 [0,1,0,0,0,0|1,0,1]=3 2757 B11R0.154 C=CC(C)CC(=O)NCCCC 527a_100000102301_100011934298 [0,1,0,0,0,0|1,0,1]=3 2758 B11R0.154 C=CC(C)CC(=O)NCCCF 11a_100015189416_100011934298 [0,1,0,0,0,0|2,0,1]=4 2759 B11R0.154 C=CC(C)CC(=O)NCCCF 1626a_100015189416_100011934298 [0,1,0,0,0,0|2,0,1]=4 2760 B11R0.154 C=CC(C)CC(=O)NCCCF 240690a_100015189416_100011934298 [0,1,0,0,0,0|2,0,1]=4 2761 B11R0.154 C=CC(C)CC(=O)NCCCF 527a_100015189416_100011934298 [0,1,0,0,0,0|2,0,1]=4 2762 B11R0.154 C=CC(C)CC(=O)NCCCO 240690a_100000182051_100011934298 [0,1,0,0,0,0|2,0,1]=4 2763 B11R0.154 C=CC(C)CC(=O)NCCCO 527a_100000182051_100011934298 [0,1,0,0,0,0|2,0,1]=4 2764 B11R0.154 C=CC(C)CC(=O)NCCOC 1626a_100000209980_100011934298 [0,1,0,0,0,0|2,0,1]=4 2765 B11R0.154 C=CC(C)CC(=O)NCCOC 240690a_100000209980_100011934298 [0,1,0,0,0,0|2,0,1]=4 2766 B11R0.154 C=CC(C)CC(=O)NCCOC 527a_100000209980_100011934298 [0,1,0,0,0,0|2,0,1]=4 2767 B11R0.154 C=CC(C)CC(=O)NCCSC 11a_100020590264_100011934298 [0,1,0,0,0,0|2,0,1]=4 2768 B11R0.154 C=CC(C)CC(=O)NCCSC 1626a_100020590264_100011934298 [0,1,0,0,0,0|2,0,1]=4 2769 B11R0.154 C=CC(C)CC(=O)NCCSC 240690a_100020590264_100011934298 [0,1,0,0,0,0|2,0,1]=4 2770 B11R0.154 C=CC(C)CC(=O)NCCSC 527a_100020590264_100011934298 [0,1,0,0,0,0|2,0,1]=4 2771 B11R0.154 C=CC(C)CC(=O)NNCCC 22a_100000740057_100011934298 [0,1,0,0,0,0|2,0,1]=4 2772 B11R0.154 C=CCCCC(=O)CC(C)CC 1458a_100000708755_100000757094 [0,1,0,0,0,0|1,0,2]=4 2773 B11R0.154 C=CCCCC(=O)CC(C)CC 1458a_100000766728_100000748023 [0,1,0,0,0,0|1,0,2]=4 2774 B11R0.154 C=CCCCC(=O)C[C@@H](C)CC 1458a_100000766728_100009816398 [0,1,0,0,0,0|1,0,2]=4 2775 B11R0.154 C=CCCCC(=O)C[C@@H](C)CO 1458a_100000766728_100000059175 [0,1,0,0,0,0|1,0,2]=4 2776 B11R0.154 C=CCCNC(=O)CC(C)CC 11a_100015191253_100000708755 [0,1,0,0,0,0|1,0,2]=4 2777 B11R0.154 C=CCCNC(=O)CC(C)CC 1626a_100015191253_100000708755 [0,1,0,0,0,0|1,0,2]=4 2778 B11R0.154 C=CCCNC(=O)CC(C)CC 240690a_100015191253_100000708755 [0,1,0,0,0,0|1,0,2]=4 2779 B11R0.154 C=CCCNC(=O)CC(C)CC 527a_100015191253_100000708755 [0,1,0,0,0,0|1,0,2]=4 2780 B11R0.154 CC#CCNC(=O)CC(C)CC 11a_100000685387_100000708755 [0,1,0,0,0,0|1,0,2]=4 2781 B11R0.154 CC#CCNC(=O)CC(C)CC 1626a_100000685387_100000708755 [0,1,0,0,0,0|1,0,2]=4 2782 B11R0.154 CC#CCNC(=O)CC(C)CC 527a_100000685387_100000708755 [0,1,0,0,0,0|1,0,2]=4 2783 B11R0.154 CC/C=C/CC(=O)CC(C)CC 1458a_100016274230_100000748023 [0,1,0,0,0,0|1,0,2]=4 2784 B11R0.154 CC/C=C/CC(=O)C[C@@H](C)CC 1458a_100016274230_100009816398 [0,1,0,0,0,0|1,0,2]=4 2785 B11R0.154 CC/C=C/CC(=O)C[C@@H](C)CO 1458a_100016274230_100000059175 [0,1,0,0,0,0|1,0,2]=4 2786 B11R0.154 CC/C=C\CC(=O)CC(C)CC 1458a_100000708755_100103147603 [0,1,0,0,0,0|1,0,2]=4 2787 B11R0.154 CCC#CCC(=O)CC(C)CC 1458a_100000708755_100009813939 [0,1,0,0,0,0|1,0,2]=4 2788 B11R0.154 CCC(=O)CC(=O)OCCOC 1458a_100000210414_200000040189 [0,1,0,0,0,0|2,0,1]=4 2789 B11R0.154 CCC(C)CC(=O)C=CCOC 1458a_100016285016_100000748023 [0,1,0,0,0,0|2,0,1]=4 2790 B11R0.154 CCC(C)CC(=O)CCCC#N 1458a_100000075515_100000748023 [0,1,0,0,0,0|2,0,1]=4 2791 B11R0.154 CCC(C)CC(=O)CCCC#N 1458a_100000708755_100000211468 [0,1,0,0,0,0|2,0,1]=4 2792 B11R0.154 CCC(C)CC(=O)CCCCF 1458a_100000708755_100000729493 [0,1,0,0,0,0|2,0,0]=3 2793 B11R0.154 CCC(C)CC(=O)CCCCO 1458a_100000695505_100000748023 [0,1,0,0,0,0|2,0,0]=3 2794 B11R0.154 CCC(C)CC(=O)CCCCO 1458a_100000708755_100000210776 [0,1,0,0,0,0|2,0,0]=3 2795 B11R0.154 CCC(C)CC(=O)CCCOC 1458a_100000708755_100000740836 [0,1,0,0,0,0|2,0,0]=3 2796 B11R0.154 CCC(C)CC(=O)CCCOC 1458a_100000741012_100000748023 [0,1,0,0,0,0|2,0,0]=3 2797 B11R0.154 CCC(C)CC(=O)CCCSC 1458a_100000173376_100000748023 [0,1,0,0,0,0|2,0,0]=3 2798 B11R0.154 CCC(C)CC(=O)COCCO 1458a_100000708028_100000748023 [0,1,0,0,0,0|3,0,0]=4 2799 B11R0.154 CCC(C)CC(=O)NCCC#N 11a_100000720768_100000708755 [0,1,0,0,0,0|2,0,1]=4 2800 B11R0.154 CCC(C)CC(=O)NCCC#N 1626a_100000720768_100000708755 [0,1,0,0,0,0|2,0,1]=4 2801 B11R0.154 CCC(C)CC(=O)NCCC#N 240690a_100000720768_100000708755 [0,1,0,0,0,0|2,0,1]=4 2802 B11R0.154 CCC(C)CC(=O)NCCC#N 527a_100000720768_100000708755 [0,1,0,0,0,0|2,0,1]=4 2803 B11R0.154 CCC(C)CC(=O)NCCCF 11a_100015189416_100000708755 [0,1,0,0,0,0|2,0,0]=3 2804 B11R0.154 CCC(C)CC(=O)NCCCF 1626a_100015189416_100000708755 [0,1,0,0,0,0|2,0,0]=3 2805 B11R0.154 CCC(C)CC(=O)NCCCF 240690a_100015189416_100000708755 [0,1,0,0,0,0|2,0,0]=3 2806 B11R0.154 CCC(C)CC(=O)NCCCF 527a_100015189416_100000708755 [0,1,0,0,0,0|2,0,0]=3 2807 B11R0.154 CCC(C)CC(=O)NCCCO 240690a_100000182051_100000708755 [0,1,0,0,0,0|2,0,0]=3 2808 B11R0.154 CCC(C)CC(=O)NCCCO 527a_100000182051_100000708755 [0,1,0,0,0,0|2,0,0]=3 2809 B11R0.154 CCC(C)CC(=O)NCCOC 1626a_100000209980_100000708755 [0,1,0,0,0,0|2,0,0]=3 2810 B11R0.154 CCC(C)CC(=O)NCCOC 240690a_100000209980_100000708755 [0,1,0,0,0,0|2,0,0]=3 2811 B11R0.154 CCC(C)CC(=O)NCCOC 527a_100000209980_100000708755 [0,1,0,0,0,0|2,0,0]=3 2812 B11R0.154 CCC(C)CC(=O)NCCSC 11a_100020590264_100000708755 [0,1,0,0,0,0|2,0,0]=3 2813 B11R0.154 CCC(C)CC(=O)NCCSC 1626a_100020590264_100000708755 [0,1,0,0,0,0|2,0,0]=3 2814 B11R0.154 CCC(C)CC(=O)NCCSC 240690a_100020590264_100000708755 [0,1,0,0,0,0|2,0,0]=3 2815 B11R0.154 CCC(C)CC(=O)NCCSC 527a_100020590264_100000708755 [0,1,0,0,0,0|2,0,0]=3 2816 B11R0.154 CCC(C)CC(=O)NNCCO 22a_100000210001_100000708755 [0,1,0,0,0,0|3,0,0]=4 2817 B11R0.154 CCC(C)NC(=O)CCCCO 1626a_100000209981_100000695505 [0,1,0,0,0,0|3,0,0]=4 2818 B11R0.154 CCC(C)NC(=O)CCCOC 11a_100000209981_100000741012 [0,1,0,0,0,0|3,0,0]=4 2819 B11R0.154 CCC(C)NC(=O)CCCOC 1626a_100000209981_100000741012 [0,1,0,0,0,0|3,0,0]=4 2820 B11R0.154 CCC(C)NC(=O)CCCOC 240690a_100000209981_100000741012 [0,1,0,0,0,0|3,0,0]=4 2821 B11R0.154 CCC(C)NC(=O)CCCOC 527a_100000209981_100000741012 [0,1,0,0,0,0|3,0,0]=4 2822 B11R0.154 CCC(C)NC(=O)CCCSC 11a_100000209981_100000173376 [0,1,0,0,0,0|3,0,0]=4 2823 B11R0.154 CCC(C)NC(=O)CCCSC 1626a_100000209981_100000173376 [0,1,0,0,0,0|3,0,0]=4 2824 B11R0.154 CCC(C)NC(=O)CCCSC 240690a_100000209981_100000173376 [0,1,0,0,0,0|3,0,0]=4 2825 B11R0.154 CCC(C)NC(=O)CCCSC 527a_100000209981_100000173376 [0,1,0,0,0,0|3,0,0]=4 2826 B11R0.154 CCC(C)NC(=O)NCCCF 2708a_100000209981_100015189416 [0,1,0,0,0,0|3,0,0]=4 2827 B11R0.154 CCC(C)NC(=O)NCCCF 2708a_100015189416_100000209981 [0,1,0,0,0,0|3,0,0]=4 2828 B11R0.154 CCC(C)NC(=O)NCCCF 273464a_100000209981_100015189416 [0,1,0,0,0,0|3,0,0]=4 2829 B11R0.154 CCC(C)NC(=O)NCCCF 273464a_100015189416_100000209981 [0,1,0,0,0,0|3,0,0]=4 2830 B11R0.154 CCC(C)NC(=O)NCCCF 512a_100000209981_100015189416 [0,1,0,0,0,0|3,0,0]=4 2831 B11R0.154 CCC(C)NC(=O)NCCCF 512a_100015189416_100000209981 [0,1,0,0,0,0|3,0,0]=4 2832 B11R0.154 CCC(C)NC(=O)NCCCO 2708a_100000209981_100000182051 [0,1,0,0,0,0|3,0,0]=4 2833 B11R0.154 CCC(C)NC(=O)NCCCO 273464a_100000182051_100000209981 [0,1,0,0,0,0|3,0,0]=4 2834 B11R0.154 CCC(C)NC(=O)NCCCO 273464a_100000209981_100000182051 [0,1,0,0,0,0|3,0,0]=4 2835 B11R0.154 CCC(C)NC(=O)NCCCO 512a_100000209981_100000182051 [0,1,0,0,0,0|3,0,0]=4 2836 B11R0.154 CCC(C)NC(=O)NCCOC 2708a_100000209981_100000209980 [0,1,0,0,0,0|3,0,0]=4 2837 B11R0.154 CCC(C)NC(=O)NCCOC 273464a_100000209980_100000209981 [0,1,0,0,0,0|3,0,0]=4 2838 B11R0.154 CCC(C)NC(=O)NCCOC 273464a_100000209981_100000209980 [0,1,0,0,0,0|3,0,0]=4 2839 B11R0.154 CCC(C)NC(=O)NCCSC 2708a_100000209981_100020590264 [0,1,0,0,0,0|3,0,0]=4 2840 B11R0.154 CCC(C)NC(=O)NCCSC 2708a_100020590264_100000209981 [0,1,0,0,0,0|3,0,0]=4 2841 B11R0.154 CCC(C)NC(=O)NCCSC 273464a_100000209981_100020590264 [0,1,0,0,0,0|3,0,0]=4 2842 B11R0.154 CCC(C)NC(=O)NCCSC 273464a_100020590264_100000209981 [0,1,0,0,0,0|3,0,0]=4 2843 B11R0.154 CCC(C)NC(=O)NCCSC 512a_100000209981_100020590264 [0,1,0,0,0,0|3,0,0]=4 2844 B11R0.154 CCC(C)NC(=O)NCCSC 512a_100020590264_100000209981 [0,1,0,0,0,0|3,0,0]=4 2845 B11R0.154 CCC(O)CC(=O)CCCCF 1458a_100011667805_100000729493 [0,1,0,0,0,0|3,0,0]=4 2846 B11R0.154 CCC(O)CC(=O)CCCCO 1458a_100000695505_100011218378 [0,1,0,0,0,0|3,0,0]=4 2847 B11R0.154 CCC(O)CC(=O)CCCCO 1458a_100011667805_100000210776 [0,1,0,0,0,0|3,0,0]=4 2848 B11R0.154 CCC(O)CC(=O)CCCOC 1458a_100000741012_100011218378 [0,1,0,0,0,0|3,0,0]=4 2849 B11R0.154 CCC(O)CC(=O)CCCOC 1458a_100011667805_100000740836 [0,1,0,0,0,0|3,0,0]=4 2850 B11R0.154 CCC(O)CC(=O)CCCSC 1458a_100000173376_100011218378 [0,1,0,0,0,0|3,0,0]=4 2851 B11R0.154 CCC(O)CC(=O)NCCCF 1626a_100015189416_100011667805 [0,1,0,0,0,0|3,0,0]=4 2852 B11R0.154 CCC(O)CC(=O)NCCCF 240690a_100015189416_100011667805 [0,1,0,0,0,0|3,0,0]=4 2853 B11R0.154 CCC(O)CC(=O)NCCCO 240690a_100000182051_100011667805 [0,1,0,0,0,0|3,0,0]=4 2854 B11R0.154 CCC(O)CC(=O)NCCOC 1626a_100000209980_100011667805 [0,1,0,0,0,0|3,0,0]=4 2855 B11R0.154 CCC(O)CC(=O)NCCOC 240690a_100000209980_100011667805 [0,1,0,0,0,0|3,0,0]=4 2856 B11R0.154 CCC(O)CC(=O)NCCSC 1626a_100020590264_100011667805 [0,1,0,0,0,0|3,0,0]=4 2857 B11R0.154 CCC(O)CC(=O)NCCSC 240690a_100020590264_100011667805 [0,1,0,0,0,0|3,0,0]=4 2858 B11R0.154 CCCC#CC(=O)CC(C)CC 1458a_200011218047_100000748023 [0,1,0,0,0,0|1,0,1]=3 2859 B11R0.154 CCCC#CC(=O)CC(O)CC 1458a_200011218047_100011218378 [0,1,0,0,0,0|2,0,1]=4 2860 B11R0.154 CCCC#CC(=O)C[C@@H](C)CC 1458a_200011218047_100009816398 [0,1,0,0,0,0|1,0,1]=3 2861 B11R0.154 CCCC#CC(=O)C[C@@H](C)CO 1458a_200011218047_100000059175 [0,1,0,0,0,0|1,0,1]=3 2862 B11R0.154 CCCC#CC(=O)NC(C)CC 240690a_100000209981_200011218047 [0,1,0,0,0,0|2,0,1]=4 2863 B11R0.154 CCCC#CC(=O)N[C@H](C)CF 240690a_100102880703_200011218047 [0,1,0,0,0,0|2,0,1]=4 2864 B11R0.154 CCCC#CC(=O)N[C@H](C)CO 240690a_100000737577_200011218047 [0,1,0,0,0,0|2,0,1]=4 2865 B11R0.154 CCCC=CC(=O)CC(C)CC 1458a_100000212230_100000748023 [0,1,0,0,0,0|1,0,1]=3 2866 B11R0.154 CCCC=CC(=O)CC(O)CC 1458a_100000212230_100011218378 [0,1,0,0,0,0|2,0,1]=4 2867 B11R0.154 CCCC=CC(=O)C[C@@H](C)CC 1458a_100000212230_100009816398 [0,1,0,0,0,0|1,0,1]=3 2868 B11R0.154 CCCC=CC(=O)C[C@@H](C)CO 1458a_100000212230_100000059175 [0,1,0,0,0,0|1,0,1]=3 2869 B11R0.154 CCCC=CC(=O)NC(C)CC 11a_100000209981_100000212230 [0,1,0,0,0,0|2,0,1]=4 2870 B11R0.154 CCCC=CC(=O)NC(C)CC 1626a_100000209981_100000212230 [0,1,0,0,0,0|2,0,1]=4 2871 B11R0.154 CCCC=CC(=O)NC(C)CC 240690a_100000209981_100000212230 [0,1,0,0,0,0|2,0,1]=4 2872 B11R0.154 CCCC=CC(=O)N[C@H](C)CF 11a_100102880703_100000212230 [0,1,0,0,0,0|2,0,1]=4 2873 B11R0.154 CCCC=CC(=O)N[C@H](C)CF 1626a_100102880703_100000212230 [0,1,0,0,0,0|2,0,1]=4 2874 B11R0.154 CCCC=CC(=O)N[C@H](C)CF 240690a_100102880703_100000212230 [0,1,0,0,0,0|2,0,1]=4 2875 B11R0.154 CCCC=CC(=O)N[C@H](C)CO 240690a_100000737577_100000212230 [0,1,0,0,0,0|2,0,1]=4 2876 B11R0.154 CCCCCC(=O)C=C(C)CC 1458a_100020758463_100000210326 [0,1,0,0,0,0|1,0,2]=4 2877 B11R0.154 CCCCCC(=O)CC(=O)CC 1458a_100000210414_200012276598 [0,1,0,0,0,0|2,0,1]=4 2878 B11R0.154 CCCCCC(=O)CC(=O)CC 1458a_100000212188_100000747405 [0,1,0,0,0,0|2,0,1]=4 2879 B11R0.154 CCCCCC(=O)CC(=O)CO 1458a_100000210174_200012276598 [0,1,0,0,0,0|2,0,1]=4 2880 B11R0.154 CCCCCC(=O)CC(=O)NC 1458a_100000212188_100000183359 [0,1,0,0,0,0|2,0,1]=4 2881 B11R0.154 CCCCCC(=O)CC(=O)OC 1458a_100000211351_100000210326 [0,1,0,0,0,0|2,0,1]=4 2882 B11R0.154 CCCCCC(=O)CC(=O)OC 1458a_100000212188_100000747449 [0,1,0,0,0,0|2,0,1]=4 2883 B11R0.154 CCCCCC(=O)CC(C)CC 1458a_100000212188_100000748023 [0,1,0,0,0,0|1,0,0]=2 2884 B11R0.154 CCCCCC(=O)CC(C)CC 1458a_100000708755_100000210326 [0,1,0,0,0,0|1,0,0]=2 2885 B11R0.154 CCCCCC(=O)CC(O)CC 1458a_100000212188_100011218378 [0,1,0,0,0,0|2,0,0]=3 2886 B11R0.154 CCCCCC(=O)CC(O)CC 1458a_100011667805_100000210326 [0,1,0,0,0,0|2,0,0]=3 2887 B11R0.154 CCCCCC(=O)CN(C)CC 1458a_100116209913_100000210326 [0,1,0,0,0,0|2,0,0]=3 2888 B11R0.154 CCCCCC(=O)CN(C)CC 2230a_100000225621_200012276598 [0,1,0,0,0,0|2,0,0]=3 2889 B11R0.154 CCCCCC(=O)CN(C)CC 269982a_100000225621_200012276598 [0,1,0,0,0,0|2,0,0]=3 2890 B11R0.154 CCCCCC(=O)C[C@@H](C)CC 1458a_100000212188_100009816398 [0,1,0,0,0,0|1,0,0]=2 2891 B11R0.154 CCCCCC(=O)C[C@@H](C)CO 1458a_100000212188_100000059175 [0,1,0,0,0,0|1,0,0]=2 2892 B11R0.154 CCCCCC(=O)NC(C)C#N 11a_100000737613_100000212188 [0,1,0,0,0,0|2,0,1]=4 2893 B11R0.154 CCCCCC(=O)NC(C)C#N 1626a_100000737613_100000212188 [0,1,0,0,0,0|2,0,1]=4 2894 B11R0.154 CCCCCC(=O)NC(C)C#N 527a_100000737613_100000212188 [0,1,0,0,0,0|2,0,1]=4 2895 B11R0.154 CCCCCC(=O)NC(C)CC 11a_100000209981_100000212188 [0,1,0,0,0,0|2,0,0]=3 2896 B11R0.154 CCCCCC(=O)NC(C)CC 1626a_100000209981_100000212188 [0,1,0,0,0,0|2,0,0]=3 2897 B11R0.154 CCCCCC(=O)NC(C)CC 240690a_100000209981_100000212188 [0,1,0,0,0,0|2,0,0]=3 2898 B11R0.154 CCCCCC(=O)NC(C)CC 527a_100000209981_100000212188 [0,1,0,0,0,0|2,0,0]=3 2899 B11R0.154 CCCCCC(=O)N[C@H](C)CF 11a_100102880703_100000212188 [0,1,0,0,0,0|2,0,0]=3 2900 B11R0.154 CCCCCC(=O)N[C@H](C)CF 1626a_100102880703_100000212188 [0,1,0,0,0,0|2,0,0]=3 2901 B11R0.154 CCCCCC(=O)N[C@H](C)CF 240690a_100102880703_100000212188 [0,1,0,0,0,0|2,0,0]=3 2902 B11R0.154 CCCCCC(=O)N[C@H](C)CF 527a_100102880703_100000212188 [0,1,0,0,0,0|2,0,0]=3 2903 B11R0.154 CCCCCC(=O)N[C@H](C)CO 240690a_100000737577_100000212188 [0,1,0,0,0,0|2,0,0]=3 2904 B11R0.154 CCCCCC(=O)N[C@H](C)CO 527a_100000737577_100000212188 [0,1,0,0,0,0|2,0,0]=3 2905 B11R0.154 CCCCCN(C)CC(C)CC 2230a_100000223495_100000748023 [0,1,0,0,0,0|3,0,0]=4 2906 B11R0.154 CCCCCN(C)CC(C)CC 2230a_100000753921_100000210326 [0,1,0,0,0,0|3,0,0]=4 2907 B11R0.154 CCCCCN(C)CC(C)CC 269982a_100000223495_100000748023 [0,1,0,0,0,0|3,0,0]=4 2908 B11R0.154 CCCCCN(C)CC(C)CC 269982a_100000753921_100000210215 [0,1,0,0,0,0|3,0,0]=4 2909 B11R0.154 CCCCCN(C)CC(C)CC 270004a_100000223495_100000243153 [0,1,0,0,0,0|3,0,0]=4 2910 B11R0.154 CCCCCN(C)C[C@@H](C)CC 2230a_100000223495_100009816398 [0,1,0,0,0,0|3,0,0]=4 2911 B11R0.154 CCCCCN(C)C[C@@H](C)CC 269982a_100000223495_100009816398 [0,1,0,0,0,0|3,0,0]=4 2912 B11R0.154 CCCCCN(C)C[C@@H](C)CO 2230a_100000223495_100000059175 [0,1,0,0,0,0|3,0,0]=4 2913 B11R0.154 CCCCCN(C)C[C@@H](C)CO 269982a_100000223495_100000059175 [0,1,0,0,0,0|3,0,0]=4 2914 B11R0.154 CCCCNC(=O)C=C(C)CC 11a_100000102301_100020758463 [0,1,0,0,0,0|1,0,2]=4 2915 B11R0.154 CCCCNC(=O)C=C(C)CC 1626a_100000102301_100020758463 [0,1,0,0,0,0|1,0,2]=4 2916 B11R0.154 CCCCNC(=O)C=C(C)CC 240690a_100000102301_100020758463 [0,1,0,0,0,0|1,0,2]=4 2917 B11R0.154 CCCCNC(=O)CC(=O)CC 1458a_100000210414_100000182744 [0,1,0,0,0,0|2,0,1]=4 2918 B11R0.154 CCCCNC(=O)CC(=O)CO 1458a_100000210174_100000182744 [0,1,0,0,0,0|2,0,1]=4 2919 B11R0.154 CCCCNC(=O)CC(=O)OC 240690a_100000102301_100000211351 [0,1,0,0,0,0|2,0,1]=4 2920 B11R0.154 CCCCNC(=O)CC(C)CC 11a_100000102301_100000708755 [0,1,0,0,0,0|1,0,0]=2 2921 B11R0.154 CCCCNC(=O)CC(C)CC 1626a_100000102301_100000708755 [0,1,0,0,0,0|1,0,0]=2 2922 B11R0.154 CCCCNC(=O)CC(C)CC 240690a_100000102301_100000708755 [0,1,0,0,0,0|1,0,0]=2 2923 B11R0.154 CCCCNC(=O)CC(C)CC 527a_100000102301_100000708755 [0,1,0,0,0,0|1,0,0]=2 2924 B11R0.154 CCCCNC(=O)CC(O)CC 1626a_100000102301_100011667805 [0,1,0,0,0,0|2,0,0]=3 2925 B11R0.154 CCCCNC(=O)CC(O)CC 240690a_100000102301_100011667805 [0,1,0,0,0,0|2,0,0]=3 2926 B11R0.154 CCCCNC(=O)CN(C)CC 2230a_100000225621_100000182744 [0,1,0,0,0,0|2,0,0]=3 2927 B11R0.154 CCCCNC(=O)CN(C)CC 2230a_200000213093_100000210202 [0,1,0,0,0,0|2,0,0]=3 2928 B11R0.154 CCCCNC(=O)CN(C)CC 240690a_100000102301_100116209913 [0,1,0,0,0,0|2,0,0]=3 2929 B11R0.154 CCCCNC(=O)CN(C)CC 269982a_100000225621_100000182744 [0,1,0,0,0,0|2,0,0]=3 2930 B11R0.154 CCCCNC(=O)CN(C)CC 269982a_200000213093_100000204670 [0,1,0,0,0,0|2,0,0]=3 2931 B11R0.154 CCCCNC(=O)CN(C)CC 527a_100000102301_100116209913 [0,1,0,0,0,0|2,0,0]=3 2932 B11R0.154 CCCCNC(=O)CN(C)CF 269982a_200000213093_100015361967 [0,1,0,0,0,0|2,0,0]=3 2933 B11R0.154 CCCCNC(=O)NC(C)C#N 2708a_100000102301_100000737613 [0,1,0,0,0,0|2,0,1]=4 2934 B11R0.154 CCCCNC(=O)NC(C)C#N 2708a_100000737613_100000102301 [0,1,0,0,0,0|2,0,1]=4 2935 B11R0.154 CCCCNC(=O)NC(C)C#N 273464a_100000102301_100000737613 [0,1,0,0,0,0|2,0,1]=4 2936 B11R0.154 CCCCNC(=O)NC(C)C#N 273464a_100000737613_100000102301 [0,1,0,0,0,0|2,0,1]=4 2937 B11R0.154 CCCCNC(=O)NC(C)C#N 512a_100000102301_100000737613 [0,1,0,0,0,0|2,0,1]=4 2938 B11R0.154 CCCCNC(=O)NC(C)C#N 512a_100000737613_100000102301 [0,1,0,0,0,0|2,0,1]=4 2939 B11R0.154 CCCCNC(=O)NC(C)CC 2708a_100000102301_100000209981 [0,1,0,0,0,0|2,0,0]=3 2940 B11R0.154 CCCCNC(=O)NC(C)CC 2708a_100000209981_100000102301 [0,1,0,0,0,0|2,0,0]=3 2941 B11R0.154 CCCCNC(=O)NC(C)CC 273464a_100000102301_100000209981 [0,1,0,0,0,0|2,0,0]=3 2942 B11R0.154 CCCCNC(=O)NC(C)CC 273464a_100000209981_100000102301 [0,1,0,0,0,0|2,0,0]=3 2943 B11R0.154 CCCCNC(=O)NC(C)CC 512a_100000102301_100000209981 [0,1,0,0,0,0|2,0,0]=3 2944 B11R0.154 CCCCNC(=O)NC(C)CC 512a_100000209981_100000102301 [0,1,0,0,0,0|2,0,0]=3 2945 B11R0.154 CCCCNC(=O)N[C@H](C)CF 2708a_100000102301_100102880703 [0,1,0,0,0,0|2,0,0]=3 2946 B11R0.154 CCCCNC(=O)N[C@H](C)CF 273464a_100000102301_100102880703 [0,1,0,0,0,0|2,0,0]=3 2947 B11R0.154 CCCCNC(=O)N[C@H](C)CF 273464a_100102880703_100000102301 [0,1,0,0,0,0|2,0,0]=3 2948 B11R0.154 CCCCNC(=O)N[C@H](C)CF 512a_100000102301_100102880703 [0,1,0,0,0,0|2,0,0]=3 2949 B11R0.154 CCCCNC(=O)N[C@H](C)CF 512a_100102880703_100000102301 [0,1,0,0,0,0|2,0,0]=3 2950 B11R0.154 CCCCNC(=O)N[C@H](C)CO 2708a_100000102301_100000737577 [0,1,0,0,0,0|2,0,0]=3 2951 B11R0.154 CCCCNC(=O)N[C@H](C)CO 273464a_100000737577_100000102301 [0,1,0,0,0,0|2,0,0]=3 2952 B11R0.154 CCCCNC(=O)N[C@H](C)CO 512a_100000102301_100000737577 [0,1,0,0,0,0|2,0,0]=3 2953 B11R0.154 CCCCNC(=O)N[C@H](C)CO 512a_100000737577_100000102301 [0,1,0,0,0,0|2,0,0]=3 2954 B11R0.154 CCCCNC(C)CC(C)CC 2230a_100000763565_100000210211 [0,1,0,0,0,0|2,0,1]=4 2955 B11R0.154 CCCCNC(C)CC(C)CC 270004a_100000102301_100011710205 [0,1,0,0,0,0|2,0,1]=4 2956 B11R0.154 CCCCOC(=O)CC(=O)CC 1458a_100000210414_100000211628 [0,1,0,0,0,0|1,0,1]=3 2957 B11R0.154 CCCCOC(=O)CC(=O)CO 1458a_100000210174_100000211628 [0,1,0,0,0,0|1,0,1]=3 2958 B11R0.154 CCCCOC(=O)CN(C)CC 2230a_100000225621_100000211628 [0,1,0,0,0,0|1,0,0]=2 2959 B11R0.154 CCCCOC(=O)CN(C)CC 269982a_100000225621_100000211628 [0,1,0,0,0,0|1,0,0]=2 2960 B11R0.154 CCCNN=C(C)CC(C)CC 4a_100000740057_100011710205 [0,1,0,0,0,0|3,0,0]=4 2961 B11R0.154 CCCNNC(=O)CC(C)CC 22a_100000740057_100000708755 [0,1,0,0,0,0|2,0,0]=3 2962 B11R0.154 CCCNNC(=O)CC(O)CC 22a_100000740057_100011667805 [0,1,0,0,0,0|3,0,0]=4 2963 B11R0.154 CCCNNC(=O)CN(C)CC 22a_100000740057_100116209913 [0,1,0,0,0,0|3,0,0]=4 2964 B11R0.154 CCCNNC(=O)NC(C)CC 273464a_100000209981_100000740057 [0,1,0,0,0,0|3,0,0]=4 2965 B11R0.154 CCCNNC(=O)NC(C)CC 512a_100000209981_100000740057 [0,1,0,0,0,0|3,0,0]=4 2966 B11R0.154 CCCNNC(=O)NC(C)CC 512a_100000740057_100000209981 [0,1,0,0,0,0|3,0,0]=4 2967 B11R0.154 CCCNNC(=O)N[C@H](C)CF 273464a_100102880703_100000740057 [0,1,0,0,0,0|3,0,0]=4 2968 B11R0.154 CCCNNC(=O)N[C@H](C)CF 512a_100000740057_100102880703 [0,1,0,0,0,0|3,0,0]=4 2969 B11R0.154 CCCNNC(=O)N[C@H](C)CF 512a_100102880703_100000740057 [0,1,0,0,0,0|3,0,0]=4 2970 B11R0.154 CCCNNC(=O)N[C@H](C)CO 273464a_100000737577_100000740057 [0,1,0,0,0,0|3,0,0]=4 2971 B11R0.154 CCCNNC(=O)N[C@H](C)CO 512a_100000737577_100000740057 [0,1,0,0,0,0|3,0,0]=4 2972 B11R0.154 CCCNNC(=O)N[C@H](C)CO 512a_100000740057_100000737577 [0,1,0,0,0,0|3,0,0]=4 2973 B11R0.154 CCCOCC(=O)CC(C)CC 1458a_100000745993_100000748023 [0,1,0,0,0,0|2,0,0]=3 2974 B11R0.154 CCCOCC(=O)CC(O)CC 1458a_100000745993_100011218378 [0,1,0,0,0,0|3,0,0]=4 2975 B11R0.154 CCCOCC(=O)C[C@@H](C)CC 1458a_100000745993_100009816398 [0,1,0,0,0,0|2,0,0]=3 2976 B11R0.154 CCCOCC(=O)C[C@@H](C)CO 1458a_100000745993_100000059175 [0,1,0,0,0,0|2,0,0]=3 2977 B11R0.154 CCCOCC(=O)NC(C)CC 11a_100000209981_100000745993 [0,1,0,0,0,0|3,0,0]=4 2978 B11R0.154 CCCOCC(=O)NC(C)CC 1626a_100000209981_100000745993 [0,1,0,0,0,0|3,0,0]=4 2979 B11R0.154 CCCOCC(=O)NC(C)CC 240690a_100000209981_100000745993 [0,1,0,0,0,0|3,0,0]=4 2980 B11R0.154 CCCOCC(=O)NC(C)CC 34a_100000210258_100000182745 [0,1,0,0,0,0|3,0,0]=4 2981 B11R0.154 CCCOCC(=O)NC(C)CC 527a_100000209981_100000745993 [0,1,0,0,0,0|3,0,0]=4 2982 B11R0.154 CCCOCC(=O)N[C@H](C)CF 11a_100102880703_100000745993 [0,1,0,0,0,0|3,0,0]=4 2983 B11R0.154 CCCOCC(=O)N[C@H](C)CF 1626a_100102880703_100000745993 [0,1,0,0,0,0|3,0,0]=4 2984 B11R0.154 CCCOCC(=O)N[C@H](C)CF 240690a_100102880703_100000745993 [0,1,0,0,0,0|3,0,0]=4 2985 B11R0.154 CCCOCC(=O)N[C@H](C)CF 527a_100102880703_100000745993 [0,1,0,0,0,0|3,0,0]=4 2986 B11R0.154 CCCOCC(=O)N[C@H](C)CO 240690a_100000737577_100000745993 [0,1,0,0,0,0|3,0,0]=4 2987 B11R0.154 CCCOCC(=O)N[C@H](C)CO 527a_100000737577_100000745993 [0,1,0,0,0,0|3,0,0]=4 2988 B11R0.154 CCCSCC(=O)CC(C)CC 1458a_100000217233_100000748023 [0,1,0,0,0,0|2,0,0]=3 2989 B11R0.154 CCCSCC(=O)CC(O)CC 1458a_100000217233_100011218378 [0,1,0,0,0,0|3,0,0]=4 2990 B11R0.154 CCCSCC(=O)C[C@@H](C)CC 1458a_100000217233_100009816398 [0,1,0,0,0,0|2,0,0]=3 2991 B11R0.154 CCCSCC(=O)C[C@@H](C)CO 1458a_100000217233_100000059175 [0,1,0,0,0,0|2,0,0]=3 2992 B11R0.154 CCCSCC(=O)NC(C)CC 11a_100000209981_100000217233 [0,1,0,0,0,0|3,0,0]=4 2993 B11R0.154 CCCSCC(=O)NC(C)CC 1626a_100000209981_100000217233 [0,1,0,0,0,0|3,0,0]=4 2994 B11R0.154 CCCSCC(=O)NC(C)CC 240690a_100000209981_100000217233 [0,1,0,0,0,0|3,0,0]=4 2995 B11R0.154 CCCSCC(=O)NC(C)CC 527a_100000209981_100000217233 [0,1,0,0,0,0|3,0,0]=4 2996 B11R0.154 CCCSCC(=O)NC(C)CC 62a_100000182745_100000210303 [0,1,0,0,0,0|3,0,0]=4 2997 B11R0.154 CCCSCC(=O)NC(C)CC 62a_100000210303_100000182745 [0,1,0,0,0,0|3,0,0]=4 2998 B11R0.154 CCCSCC(=O)N[C@H](C)CF 11a_100102880703_100000217233 [0,1,0,0,0,0|3,0,0]=4 2999 B11R0.154 CCCSCC(=O)N[C@H](C)CF 1626a_100102880703_100000217233 [0,1,0,0,0,0|3,0,0]=4 3000 B11R0.154 CCCSCC(=O)N[C@H](C)CF 240690a_100102880703_100000217233 [0,1,0,0,0,0|3,0,0]=4 3001 B11R0.154 CCCSCC(=O)N[C@H](C)CF 527a_100102880703_100000217233 [0,1,0,0,0,0|3,0,0]=4 3002 B11R0.154 CCCSCC(=O)N[C@H](C)CO 240690a_100000737577_100000217233 [0,1,0,0,0,0|3,0,0]=4 3003 B11R0.154 CCCSCC(=O)N[C@H](C)CO 527a_100000737577_100000217233 [0,1,0,0,0,0|3,0,0]=4 3004 B11R0.154 CCN(C)CC(=O)CCCCF 1458a_100116209913_100000729493 [0,1,0,0,0,0|3,0,0]=4 3005 B11R0.154 CCN(C)CC(=O)CCCCO 1458a_100116209913_100000210776 [0,1,0,0,0,0|3,0,0]=4 3006 B11R0.154 CCN(C)CC(=O)CCCOC 1458a_100116209913_100000740836 [0,1,0,0,0,0|3,0,0]=4 3007 B11R0.154 CCN(C)CC(=O)NCCCF 240690a_100015189416_100116209913 [0,1,0,0,0,0|3,0,0]=4 3008 B11R0.154 CCN(C)CC(=O)NCCCF 527a_100015189416_100116209913 [0,1,0,0,0,0|3,0,0]=4 3009 B11R0.154 CCN(C)CC(=O)NCCCO 240690a_100000182051_100116209913 [0,1,0,0,0,0|3,0,0]=4 3010 B11R0.154 CCN(C)CC(=O)NCCCO 527a_100000182051_100116209913 [0,1,0,0,0,0|3,0,0]=4 3011 B11R0.154 CCN(C)CC(=O)NCCOC 2230a_100000225621_100000183275 [0,1,0,0,0,0|3,0,0]=4 3012 B11R0.154 CCN(C)CC(=O)NCCOC 2230a_100020672463_100000210202 [0,1,0,0,0,0|3,0,0]=4 3013 B11R0.154 CCN(C)CC(=O)NCCOC 240690a_100000209980_100116209913 [0,1,0,0,0,0|3,0,0]=4 3014 B11R0.154 CCN(C)CC(=O)NCCOC 269982a_100000225621_100000183275 [0,1,0,0,0,0|3,0,0]=4 3015 B11R0.154 CCN(C)CC(=O)NCCOC 269982a_100020672463_100000204670 [0,1,0,0,0,0|3,0,0]=4 3016 B11R0.154 CCN(C)CC(=O)NCCOC 527a_100000209980_100116209913 [0,1,0,0,0,0|3,0,0]=4 3017 B11R0.154 CCN(C)CC(=O)NCCSC 240690a_100020590264_100116209913 [0,1,0,0,0,0|3,0,0]=4 3018 B11R0.154 CCN(C)CC(=O)NCCSC 527a_100020590264_100116209913 [0,1,0,0,0,0|3,0,0]=4 3019 B11R0.154 CCN(C)CC(=O)OCCOC 2230a_100000225621_200000040189 [0,1,0,0,0,0|2,0,0]=3 3020 B11R0.154 CCN(C)CC(=O)OCCOC 269982a_100000225621_200000040189 [0,1,0,0,0,0|2,0,0]=3 3021 B11R0.154 CCOC=CC(=O)CC(C)CC 1458a_100016266692_100000748023 [0,1,0,0,0,0|2,0,1]=4 3022 B11R0.154 CCOC=CC(=O)C[C@@H](C)CC 1458a_100016266692_100009816398 [0,1,0,0,0,0|2,0,1]=4 3023 B11R0.154 CCOC=CC(=O)C[C@@H](C)CO 1458a_100016266692_100000059175 [0,1,0,0,0,0|2,0,1]=4 3024 B11R0.154 CCOCCC(=O)CC(C)CC 1458a_100000708755_100011215890 [0,1,0,0,0,0|2,0,0]=3 3025 B11R0.154 CCOCCC(=O)CC(C)CC 1458a_100000749530_100000748023 [0,1,0,0,0,0|2,0,0]=3 3026 B11R0.154 CCOCCC(=O)CC(O)CC 1458a_100000749530_100011218378 [0,1,0,0,0,0|3,0,0]=4 3027 B11R0.154 CCOCCC(=O)CC(O)CC 1458a_100011667805_100011215890 [0,1,0,0,0,0|3,0,0]=4 3028 B11R0.154 CCOCCC(=O)CN(C)CC 1458a_100116209913_100011215890 [0,1,0,0,0,0|3,0,0]=4 3029 B11R0.154 CCOCCC(=O)C[C@@H](C)CC 1458a_100000749530_100009816398 [0,1,0,0,0,0|2,0,0]=3 3030 B11R0.154 CCOCCC(=O)C[C@@H](C)CO 1458a_100000749530_100000059175 [0,1,0,0,0,0|2,0,0]=3 3031 B11R0.154 CCOCCC(=O)NC(C)CC 11a_100000209981_100000749530 [0,1,0,0,0,0|3,0,0]=4 3032 B11R0.154 CCOCCC(=O)NC(C)CC 1626a_100000209981_100000749530 [0,1,0,0,0,0|3,0,0]=4 3033 B11R0.154 CCOCCC(=O)NC(C)CC 240690a_100000209981_100000749530 [0,1,0,0,0,0|3,0,0]=4 3034 B11R0.154 CCOCCC(=O)NC(C)CC 527a_100000209981_100000749530 [0,1,0,0,0,0|3,0,0]=4 3035 B11R0.154 CCOCCC(=O)N[C@H](C)CF 11a_100102880703_100000749530 [0,1,0,0,0,0|3,0,0]=4 3036 B11R0.154 CCOCCC(=O)N[C@H](C)CF 1626a_100102880703_100000749530 [0,1,0,0,0,0|3,0,0]=4 3037 B11R0.154 CCOCCC(=O)N[C@H](C)CF 240690a_100102880703_100000749530 [0,1,0,0,0,0|3,0,0]=4 3038 B11R0.154 CCOCCC(=O)N[C@H](C)CF 527a_100102880703_100000749530 [0,1,0,0,0,0|3,0,0]=4 3039 B11R0.154 CCOCCC(=O)N[C@H](C)CO 240690a_100000737577_100000749530 [0,1,0,0,0,0|3,0,0]=4 3040 B11R0.154 CCOCCC(=O)N[C@H](C)CO 527a_100000737577_100000749530 [0,1,0,0,0,0|3,0,0]=4 3041 B11R0.154 CCSCCC(=O)CC(C)CC 1458a_100000230768_100000748023 [0,1,0,0,0,0|2,0,0]=3 3042 B11R0.154 CCSCCC(=O)CC(C)CC 1458a_100000708755_100000757381 [0,1,0,0,0,0|2,0,0]=3 3043 B11R0.154 CCSCCC(=O)CC(O)CC 1458a_100000230768_100011218378 [0,1,0,0,0,0|3,0,0]=4 3044 B11R0.154 CCSCCC(=O)CC(O)CC 1458a_100011667805_100000757381 [0,1,0,0,0,0|3,0,0]=4 3045 B11R0.154 CCSCCC(=O)CN(C)CC 1458a_100116209913_100000757381 [0,1,0,0,0,0|3,0,0]=4 3046 B11R0.154 CCSCCC(=O)C[C@@H](C)CC 1458a_100000230768_100009816398 [0,1,0,0,0,0|2,0,0]=3 3047 B11R0.154 CCSCCC(=O)C[C@@H](C)CO 1458a_100000230768_100000059175 [0,1,0,0,0,0|2,0,0]=3 3048 B11R0.154 CCSCCC(=O)NC(C)CC 11a_100000209981_100000230768 [0,1,0,0,0,0|3,0,0]=4 3049 B11R0.154 CCSCCC(=O)NC(C)CC 1626a_100000209981_100000230768 [0,1,0,0,0,0|3,0,0]=4 3050 B11R0.154 CCSCCC(=O)NC(C)CC 240690a_100000209981_100000230768 [0,1,0,0,0,0|3,0,0]=4 3051 B11R0.154 CCSCCC(=O)NC(C)CC 527a_100000209981_100000230768 [0,1,0,0,0,0|3,0,0]=4 3052 B11R0.154 CCSCCC(=O)N[C@H](C)CF 11a_100102880703_100000230768 [0,1,0,0,0,0|3,0,0]=4 3053 B11R0.154 CCSCCC(=O)N[C@H](C)CF 1626a_100102880703_100000230768 [0,1,0,0,0,0|3,0,0]=4 3054 B11R0.154 CCSCCC(=O)N[C@H](C)CF 240690a_100102880703_100000230768 [0,1,0,0,0,0|3,0,0]=4 3055 B11R0.154 CCSCCC(=O)N[C@H](C)CF 527a_100102880703_100000230768 [0,1,0,0,0,0|3,0,0]=4 3056 B11R0.154 CCSCCC(=O)N[C@H](C)CO 240690a_100000737577_100000230768 [0,1,0,0,0,0|3,0,0]=4 3057 B11R0.154 CCSCCC(=O)N[C@H](C)CO 527a_100000737577_100000230768 [0,1,0,0,0,0|3,0,0]=4 3058 B11R0.154 CC[C@H](C)CC(=O)C=CCOC 1458a_100016285016_100009816398 [0,1,0,0,0,0|2,0,1]=4 3059 B11R0.154 CC[C@H](C)CC(=O)CCCC#N 1458a_100000075515_100009816398 [0,1,0,0,0,0|2,0,1]=4 3060 B11R0.154 CC[C@H](C)CC(=O)CCCCO 1458a_100000695505_100009816398 [0,1,0,0,0,0|2,0,0]=3 3061 B11R0.154 CC[C@H](C)CC(=O)CCCOC 1458a_100000741012_100009816398 [0,1,0,0,0,0|2,0,0]=3 3062 B11R0.154 CC[C@H](C)CC(=O)CCCSC 1458a_100000173376_100009816398 [0,1,0,0,0,0|2,0,0]=3 3063 B11R0.154 CC[C@H](C)CC(=O)COCCO 1458a_100000708028_100009816398 [0,1,0,0,0,0|3,0,0]=4 3064 B11R0.154 COCC=CC(=O)C[C@@H](C)CO 1458a_100016285016_100000059175 [0,1,0,0,0,0|2,0,1]=4 3065 B11R0.154 COCCCC(=O)C[C@@H](C)CO 1458a_100000741012_100000059175 [0,1,0,0,0,0|2,0,0]=3 3066 B11R0.154 COCCCC(=O)N[C@H](C)CF 11a_100102880703_100000741012 [0,1,0,0,0,0|3,0,0]=4 3067 B11R0.154 COCCCC(=O)N[C@H](C)CF 1626a_100102880703_100000741012 [0,1,0,0,0,0|3,0,0]=4 3068 B11R0.154 COCCCC(=O)N[C@H](C)CF 240690a_100102880703_100000741012 [0,1,0,0,0,0|3,0,0]=4 3069 B11R0.154 COCCCC(=O)N[C@H](C)CF 527a_100102880703_100000741012 [0,1,0,0,0,0|3,0,0]=4 3070 B11R0.154 COCCCC(=O)N[C@H](C)CO 240690a_100000737577_100000741012 [0,1,0,0,0,0|3,0,0]=4 3071 B11R0.154 COCCCC(=O)N[C@H](C)CO 527a_100000737577_100000741012 [0,1,0,0,0,0|3,0,0]=4 3072 B11R0.154 COCCNC(=O)CN(C)CF 269982a_100020672463_100015361967 [0,1,0,0,0,0|3,0,0]=4 3073 B11R0.154 COCCNC(=O)N[C@H](C)CF 273464a_100000209980_100102880703 [0,1,0,0,0,0|3,0,0]=4 3074 B11R0.154 COCCNC(=O)N[C@H](C)CF 273464a_100102880703_100000209980 [0,1,0,0,0,0|3,0,0]=4 3075 B11R0.154 COCCNC(=O)N[C@H](C)CO 273464a_100000737577_100000209980 [0,1,0,0,0,0|3,0,0]=4 3076 B11R0.154 COCCOC(=O)CC(=O)CO 1458a_100000210174_200000040189 [0,1,0,0,0,0|2,0,1]=4 3077 B11R0.154 CSCCCC(=O)C[C@@H](C)CO 1458a_100000173376_100000059175 [0,1,0,0,0,0|2,0,0]=3 3078 B11R0.154 CSCCCC(=O)N[C@H](C)CF 11a_100102880703_100000173376 [0,1,0,0,0,0|3,0,0]=4 3079 B11R0.154 CSCCCC(=O)N[C@H](C)CF 1626a_100102880703_100000173376 [0,1,0,0,0,0|3,0,0]=4 3080 B11R0.154 CSCCCC(=O)N[C@H](C)CF 240690a_100102880703_100000173376 [0,1,0,0,0,0|3,0,0]=4 3081 B11R0.154 CSCCCC(=O)N[C@H](C)CF 527a_100102880703_100000173376 [0,1,0,0,0,0|3,0,0]=4 3082 B11R0.154 CSCCCC(=O)N[C@H](C)CO 240690a_100000737577_100000173376 [0,1,0,0,0,0|3,0,0]=4 3083 B11R0.154 CSCCCC(=O)N[C@H](C)CO 527a_100000737577_100000173376 [0,1,0,0,0,0|3,0,0]=4 3084 B11R0.154 CSCCNC(=O)N[C@H](C)CF 2708a_100020590264_100102880703 [0,1,0,0,0,0|3,0,0]=4 3085 B11R0.154 CSCCNC(=O)N[C@H](C)CF 273464a_100020590264_100102880703 [0,1,0,0,0,0|3,0,0]=4 3086 B11R0.154 CSCCNC(=O)N[C@H](C)CF 273464a_100102880703_100020590264 [0,1,0,0,0,0|3,0,0]=4 3087 B11R0.154 CSCCNC(=O)N[C@H](C)CF 512a_100020590264_100102880703 [0,1,0,0,0,0|3,0,0]=4 3088 B11R0.154 CSCCNC(=O)N[C@H](C)CF 512a_100102880703_100020590264 [0,1,0,0,0,0|3,0,0]=4 3089 B11R0.154 CSCCNC(=O)N[C@H](C)CO 2708a_100020590264_100000737577 [0,1,0,0,0,0|3,0,0]=4 3090 B11R0.154 CSCCNC(=O)N[C@H](C)CO 273464a_100000737577_100020590264 [0,1,0,0,0,0|3,0,0]=4 3091 B11R0.154 CSCCNC(=O)N[C@H](C)CO 512a_100000737577_100020590264 [0,1,0,0,0,0|3,0,0]=4 3092 B11R0.154 CSCCNC(=O)N[C@H](C)CO 512a_100020590264_100000737577 [0,1,0,0,0,0|3,0,0]=4 3093 B11R0.154 C[C@@H](CO)CC(=O)CCCC#N 1458a_100000075515_100000059175 [0,1,0,0,0,0|2,0,1]=4 3094 B11R0.154 C[C@@H](CO)CC(=O)CCCCO 1458a_100000695505_100000059175 [0,1,0,0,0,0|2,0,0]=3 3095 B11R0.154 C[C@@H](CO)CC(=O)COCCO 1458a_100000708028_100000059175 [0,1,0,0,0,0|3,0,0]=4 3096 B11R0.154 C[C@H](CF)NC(=O)CCCCO 1626a_100102880703_100000695505 [0,1,0,0,0,0|3,0,0]=4 3097 B11R0.154 C[C@H](CF)NC(=O)NCCCF 2708a_100015189416_100102880703 [0,1,0,0,0,0|3,0,0]=4 3098 B11R0.154 C[C@H](CF)NC(=O)NCCCF 273464a_100015189416_100102880703 [0,1,0,0,0,0|3,0,0]=4 3099 B11R0.154 C[C@H](CF)NC(=O)NCCCF 273464a_100102880703_100015189416 [0,1,0,0,0,0|3,0,0]=4 3100 B11R0.154 C[C@H](CF)NC(=O)NCCCF 512a_100015189416_100102880703 [0,1,0,0,0,0|3,0,0]=4 3101 B11R0.154 C[C@H](CF)NC(=O)NCCCF 512a_100102880703_100015189416 [0,1,0,0,0,0|3,0,0]=4 3102 B11R0.154 C[C@H](CF)NC(=O)NCCCO 273464a_100000182051_100102880703 [0,1,0,0,0,0|3,0,0]=4 3103 B11R0.154 C[C@H](CF)NC(=O)NCCCO 273464a_100102880703_100000182051 [0,1,0,0,0,0|3,0,0]=4 3104 B11R0.154 C[C@H](CF)NC(=O)NCCCO 512a_100102880703_100000182051 [0,1,0,0,0,0|3,0,0]=4 3105 B11R0.154 C[C@H](CO)NC(=O)NCCCF 2708a_100015189416_100000737577 [0,1,0,0,0,0|3,0,0]=4 3106 B11R0.154 C[C@H](CO)NC(=O)NCCCF 273464a_100000737577_100015189416 [0,1,0,0,0,0|3,0,0]=4 3107 B11R0.154 C[C@H](CO)NC(=O)NCCCF 512a_100000737577_100015189416 [0,1,0,0,0,0|3,0,0]=4 3108 B11R0.154 C[C@H](CO)NC(=O)NCCCF 512a_100015189416_100000737577 [0,1,0,0,0,0|3,0,0]=4 3109 B11R0.154 C[C@H](CO)NC(=O)NCCCO 273464a_100000737577_100000182051 [0,1,0,0,0,0|3,0,0]=4 3110 B11R0.154 C[C@H](CO)NC(=O)NCCCO 512a_100000737577_100000182051 [0,1,0,0,0,0|3,0,0]=4 3111 B11R0.165 C#CCCCC(=O)CC(C)(C)C 1458a_100000211214_100000731252 [0,1,0,0,0,0|1,0,2]=4 3112 B11R0.165 C#CCCCC(=O)CC(C)(C)O 1458a_100000693243_100000731252 [0,1,0,0,0,0|1,0,2]=4 3113 B11R0.165 C#CCCNC(=O)CC(C)(C)C 11a_100000755551_100000211214 [0,1,0,0,0,0|1,0,2]=4 3114 B11R0.165 C#CCCNC(=O)CC(C)(C)C 1626a_100000755551_100000211214 [0,1,0,0,0,0|1,0,2]=4 3115 B11R0.165 C#CCCNC(=O)CC(C)(C)C 240690a_100000755551_100000211214 [0,1,0,0,0,0|1,0,2]=4 3116 B11R0.165 C#CCCNC(=O)CC(C)(C)C 527a_100000755551_100000211214 [0,1,0,0,0,0|1,0,2]=4 3117 B11R0.165 C#CCCNC(=O)CC(C)(C)O 527a_100000755551_100000693243 [0,1,0,0,0,0|1,0,2]=4 3118 B11R0.165 C=CCCCC(=O)CC(C)(C)C 1458a_100000211214_100000757094 [0,1,0,0,0,0|1,0,2]=4 3119 B11R0.165 C=CCCCC(=O)CC(C)(C)O 1458a_100000693243_100000757094 [0,1,0,0,0,0|1,0,2]=4 3120 B11R0.165 C=CCCNC(=O)CC(C)(C)C 11a_100015191253_100000211214 [0,1,0,0,0,0|1,0,2]=4 3121 B11R0.165 C=CCCNC(=O)CC(C)(C)C 1626a_100015191253_100000211214 [0,1,0,0,0,0|1,0,2]=4 3122 B11R0.165 C=CCCNC(=O)CC(C)(C)C 240690a_100015191253_100000211214 [0,1,0,0,0,0|1,0,2]=4 3123 B11R0.165 C=CCCNC(=O)CC(C)(C)C 527a_100015191253_100000211214 [0,1,0,0,0,0|1,0,2]=4 3124 B11R0.165 C=CCCNC(=O)CC(C)(C)O 527a_100015191253_100000693243 [0,1,0,0,0,0|1,0,2]=4 3125 B11R0.165 CC#CCNC(=O)CC(C)(C)C 11a_100000685387_100000211214 [0,1,0,0,0,0|1,0,2]=4 3126 B11R0.165 CC#CCNC(=O)CC(C)(C)C 1626a_100000685387_100000211214 [0,1,0,0,0,0|1,0,2]=4 3127 B11R0.165 CC#CCNC(=O)CC(C)(C)C 527a_100000685387_100000211214 [0,1,0,0,0,0|1,0,2]=4 3128 B11R0.165 CC#CCNC(=O)CC(C)(C)O 527a_100000685387_100000693243 [0,1,0,0,0,0|1,0,2]=4 3129 B11R0.165 CC(C)(C)CC(=O)CCCC#N 1458a_100000211214_100000211468 [0,1,0,0,0,0|2,0,1]=4 3130 B11R0.165 CC(C)(C)CC(=O)CCCCF 1458a_100000211214_100000729493 [0,1,0,0,0,0|2,0,0]=3 3131 B11R0.165 CC(C)(C)CC(=O)CCCCO 1458a_100000211214_100000210776 [0,1,0,0,0,0|2,0,0]=3 3132 B11R0.165 CC(C)(C)CC(=O)NCCC#N 11a_100000720768_100000211214 [0,1,0,0,0,0|2,0,1]=4 3133 B11R0.165 CC(C)(C)CC(=O)NCCC#N 1626a_100000720768_100000211214 [0,1,0,0,0,0|2,0,1]=4 3134 B11R0.165 CC(C)(C)CC(=O)NCCC#N 240690a_100000720768_100000211214 [0,1,0,0,0,0|2,0,1]=4 3135 B11R0.165 CC(C)(C)CC(=O)NCCC#N 527a_100000720768_100000211214 [0,1,0,0,0,0|2,0,1]=4 3136 B11R0.165 CC(C)(C)CC(=O)NCCCF 11a_100015189416_100000211214 [0,1,0,0,0,0|2,0,0]=3 3137 B11R0.165 CC(C)(C)CC(=O)NCCCF 1626a_100015189416_100000211214 [0,1,0,0,0,0|2,0,0]=3 3138 B11R0.165 CC(C)(C)CC(=O)NCCCF 240690a_100015189416_100000211214 [0,1,0,0,0,0|2,0,0]=3 3139 B11R0.165 CC(C)(C)CC(=O)NCCCF 527a_100015189416_100000211214 [0,1,0,0,0,0|2,0,0]=3 3140 B11R0.165 CC(C)(C)CC(=O)NCCCO 240690a_100000182051_100000211214 [0,1,0,0,0,0|2,0,0]=3 3141 B11R0.165 CC(C)(C)CC(=O)NCCCO 527a_100000182051_100000211214 [0,1,0,0,0,0|2,0,0]=3 3142 B11R0.165 CC(C)(C)CC(=O)NNCCO 22a_100000210001_100000211214 [0,1,0,0,0,0|3,0,0]=4 3143 B11R0.165 CC(C)(C)CC(=O)OCSCF 62a_100015361967_200010999194 [0,1,0,0,0,0|2,0,0]=3 3144 B11R0.165 CC(C)(C)CC(=O)OCSCF 62a_200010999194_100015361967 [0,1,0,0,0,0|2,0,0]=3 3145 B11R0.165 CC(C)(C)NC(=O)CCCCO 1626a_100000715429_100000695505 [0,1,0,0,0,0|3,0,0]=4 3146 B11R0.165 CC(C)(C)NC(=O)CCCS[13CH3] 62a_100011194434_200025704644 [0,1,0,0,0,0|3,0,0]=4 3147 B11R0.165 CC(C)(C)NC(=O)CCCS[13CH3] 62a_200025704644_100011194434 [0,1,0,0,0,0|3,0,0]=4 3148 B11R0.165 CC(C)(C)NC(=O)NCCCF 2708a_100015189416_100000715429 [0,1,0,0,0,0|3,0,0]=4 3149 B11R0.165 CC(C)(C)NC(=O)NCCCF 273464a_100000715429_100015189416 [0,1,0,0,0,0|3,0,0]=4 3150 B11R0.165 CC(C)(C)NC(=O)NCCCF 273464a_100015189416_100000715429 [0,1,0,0,0,0|3,0,0]=4 3151 B11R0.165 CC(C)(C)NC(=O)NCCCF 512a_100000715429_100015189416 [0,1,0,0,0,0|3,0,0]=4 3152 B11R0.165 CC(C)(C)NC(=O)NCCCO 273464a_100000182051_100000715429 [0,1,0,0,0,0|3,0,0]=4 3153 B11R0.165 CC(C)(C)NC(=O)NCCCO 273464a_100000715429_100000182051 [0,1,0,0,0,0|3,0,0]=4 3154 B11R0.165 CC(C)(C)NC(=O)NCCCO 512a_100000715429_100000182051 [0,1,0,0,0,0|3,0,0]=4 3155 B11R0.165 CC(C)(C)OC(=O)CCCO[13CH3] 34a_100000067108_200025704644 [0,1,0,0,0,0|3,0,0]=4 3156 B11R0.165 CC(C)(C)OC(=O)CCCO[13CH3] 7a_100000067108_200025704644 [0,1,0,0,0,0|3,0,0]=4 3157 B11R0.165 CC(C)(C)OC(=O)CCCS[13CH3] 62a_100000708543_200025704644 [0,1,0,0,0,0|3,0,0]=4 3158 B11R0.165 CC(C)(C)OC(=O)CCCS[13CH3] 62a_200025704644_100000708543 [0,1,0,0,0,0|3,0,0]=4 3159 B11R0.165 CC(C)(C)OC(=O)NCCO[13CH3] 34a_100000743822_200025704644 [0,1,0,0,0,0|3,0,0]=4 3160 B11R0.165 CC(C)(C)OC(=O)NCCO[13CH3] 7a_100000743822_200025704644 [0,1,0,0,0,0|3,0,0]=4 3161 B11R0.165 CC(C)(C)OC(=O)NCCS[13CH3] 62a_100000691259_200025704644 [0,1,0,0,0,0|3,0,0]=4 3162 B11R0.165 CC(C)(C)OC(=O)NCCS[13CH3] 62a_200025704644_100000691259 [0,1,0,0,0,0|3,0,0]=4 3163 B11R0.165 CC(C)(O)CC(=O)CCCC#N 1458a_100000693243_100000211468 [0,1,0,0,0,0|2,0,1]=4 3164 B11R0.165 CC(C)(O)CC(=O)CCCCF 1458a_100000693243_100000729493 [0,1,0,0,0,0|2,0,0]=3 3165 B11R0.165 CC(C)(O)CC(=O)CCCCO 1458a_100000693243_100000210776 [0,1,0,0,0,0|2,0,0]=3 3166 B11R0.165 CC(C)(O)CC(=O)NCCC#N 527a_100000720768_100000693243 [0,1,0,0,0,0|2,0,1]=4 3167 B11R0.165 CC(C)(O)CC(=O)NCCCF 527a_100015189416_100000693243 [0,1,0,0,0,0|2,0,0]=3 3168 B11R0.165 CC(C)(O)CC(=O)NCCCO 527a_100000182051_100000693243 [0,1,0,0,0,0|2,0,0]=3 3169 B11R0.165 CC(C)(O)CC(=O)NNCCO 22a_100000210001_100000693243 [0,1,0,0,0,0|3,0,0]=4 3170 B11R0.165 CC(CC(C)(C)C)OCCCF 7a_200011218616_100011934791 [0,1,0,0,0,0|2,0,1]=4 3171 B11R0.165 CC(CC(C)(C)C)OCCCO 7a_200011218616_100011215043 [0,1,0,0,0,0|2,0,1]=4 3172 B11R0.165 CC/C=C\CC(=O)CC(C)(C)C 1458a_100000211214_100103147603 [0,1,0,0,0,0|1,0,2]=4 3173 B11R0.165 CC/C=C\CC(=O)CC(C)(C)O 1458a_100000693243_100103147603 [0,1,0,0,0,0|1,0,2]=4 3174 B11R0.165 CCC#CCC(=O)CC(C)(C)C 1458a_100000211214_100009813939 [0,1,0,0,0,0|1,0,2]=4 3175 B11R0.165 CCC#CCC(=O)CC(C)(C)O 1458a_100000693243_100009813939 [0,1,0,0,0,0|1,0,2]=4 3176 B11R0.165 CCC=NNC(=O)CC(C)(C)C 4a_200000189801_100000210100 [0,1,0,0,0,0|2,0,1]=4 3177 B11R0.165 CCCC#CC(=O)C[Si](C)(C)C 1458a_200011218047_100000233785 [0,1,0,0,0,0|1,1,1]=4 3178 B11R0.165 CCCC#CC(=O)NC(C)(C)C 240690a_100000715429_200011218047 [0,1,0,0,0,0|2,0,1]=4 3179 B11R0.165 CCCC=CC(=O)C[Si](C)(C)C 1458a_100000212230_100000233785 [0,1,0,0,0,0|1,1,1]=4 3180 B11R0.165 CCCC=CC(=O)NC(C)(C)C 11a_100000715429_100000212230 [0,1,0,0,0,0|2,0,1]=4 3181 B11R0.165 CCCC=CC(=O)NC(C)(C)C 1626a_100000715429_100000212230 [0,1,0,0,0,0|2,0,1]=4 3182 B11R0.165 CCCC=CC(=O)NC(C)(C)C 240690a_100000715429_100000212230 [0,1,0,0,0,0|2,0,1]=4 3183 B11R0.165 CCCCCC(=O)CC(C)(C)C 1458a_100000211214_100000210326 [0,1,0,0,0,0|1,0,0]=2 3184 B11R0.165 CCCCCC(=O)CC(C)(C)O 1458a_100000693243_100000210326 [0,1,0,0,0,0|1,0,0]=2 3185 B11R0.165 CCCCCC(=O)CC(F)(F)F 1458a_100000245130_100000210326 [0,1,0,0,0,0|3,0,0]=4 3186 B11R0.165 CCCCCC(=O)CS(=O)(=O)C 1458a_100000744497_100000210326 [0,1,0,0,0,0|3,0,0]=4 3187 B11R0.165 CCCCCC(=O)C[N+](C)(C)C 1458a_100000033712_100000210326 [0,1,0,0,0,0|2,0,0]=3 3188 B11R0.165 CCCCCC(=O)C[Si](C)(C)C 1458a_100000212188_100000233785 [0,1,0,0,0,0|1,1,0]=3 3189 B11R0.165 CCCCCC(=O)C[Si](C)(C)C 1458a_100011218504_100000210326 [0,1,0,0,0,0|1,1,0]=3 3190 B11R0.165 CCCCCC(=O)NC(C)(C)C 11a_100000715429_100000212188 [0,1,0,0,0,0|2,0,0]=3 3191 B11R0.165 CCCCCC(=O)NC(C)(C)C 1626a_100000715429_100000212188 [0,1,0,0,0,0|2,0,0]=3 3192 B11R0.165 CCCCCC(=O)NC(C)(C)C 240690a_100000715429_100000212188 [0,1,0,0,0,0|2,0,0]=3 3193 B11R0.165 CCCCCC(=O)NC(C)(C)C 527a_100000715429_100000212188 [0,1,0,0,0,0|2,0,0]=3 3194 B11R0.165 CCCCCN(C)CC(C)(C)C 2230a_100000742839_100000210326 [0,1,0,0,0,0|3,0,0]=4 3195 B11R0.165 CCCCCN(C)CC(C)(C)C 269982a_100000742839_100000210215 [0,1,0,0,0,0|3,0,0]=4 3196 B11R0.165 CCCCCN(C)CC(C)(C)C 270004a_100000223495_100011204126 [0,1,0,0,0,0|3,0,0]=4 3197 B11R0.165 CCCCCN(C)CC(C)(C)O 2230a_100000755907_100000210326 [0,1,0,0,0,0|3,0,0]=4 3198 B11R0.165 CCCCCN(C)CC(C)(C)O 269982a_100000755907_100000210215 [0,1,0,0,0,0|3,0,0]=4 3199 B11R0.165 CCCCNC(=O)CC(C)(C)C 11a_100000102301_100000211214 [0,1,0,0,0,0|1,0,0]=2 3200 B11R0.165 CCCCNC(=O)CC(C)(C)C 1626a_100000102301_100000211214 [0,1,0,0,0,0|1,0,0]=2 3201 B11R0.165 CCCCNC(=O)CC(C)(C)C 240690a_100000102301_100000211214 [0,1,0,0,0,0|1,0,0]=2 3202 B11R0.165 CCCCNC(=O)CC(C)(C)C 527a_100000102301_100000211214 [0,1,0,0,0,0|1,0,0]=2 3203 B11R0.165 CCCCNC(=O)CC(C)(C)O 527a_100000102301_100000693243 [0,1,0,0,0,0|1,0,0]=2 3204 B11R0.165 CCCCNC(=O)CC(F)(F)F 11a_100000102301_100000245130 [0,1,0,0,0,0|3,0,0]=4 3205 B11R0.165 CCCCNC(=O)CC(F)(F)F 1626a_100000102301_100000245130 [0,1,0,0,0,0|3,0,0]=4 3206 B11R0.165 CCCCNC(=O)CC(F)(F)F 527a_100000102301_100000245130 [0,1,0,0,0,0|3,0,0]=4 3207 B11R0.165 CCCCNC(=O)CS(=O)(=O)C 11a_100000102301_100000744497 [0,1,0,0,0,0|3,0,0]=4 3208 B11R0.165 CCCCNC(=O)CS(=O)(=O)C 240690a_100000102301_100000744497 [0,1,0,0,0,0|3,0,0]=4 3209 B11R0.165 CCCCNC(=O)CS(=O)(=O)C 527a_100000102301_100000744497 [0,1,0,0,0,0|3,0,0]=4 3210 B11R0.165 CCCCNC(=O)C[N+](C)(C)C 11a_100000102301_100000033712 [0,1,0,0,0,0|2,0,0]=3 3211 B11R0.165 CCCCNC(=O)C[N+](C)(C)C 1626a_100000102301_100000033712 [0,1,0,0,0,0|2,0,0]=3 3212 B11R0.165 CCCCNC(=O)C[N+](C)(C)C 240690a_100000102301_100000033712 [0,1,0,0,0,0|2,0,0]=3 3213 B11R0.165 CCCCNC(=O)C[N+](C)(C)C 527a_100000102301_100000033712 [0,1,0,0,0,0|2,0,0]=3 3214 B11R0.165 CCCCNC(=O)C[Si](C)(C)C 11a_100000102301_100011218504 [0,1,0,0,0,0|1,1,0]=3 3215 B11R0.165 CCCCNC(=O)C[Si](C)(C)C 1626a_100000102301_100011218504 [0,1,0,0,0,0|1,1,0]=3 3216 B11R0.165 CCCCNC(=O)NC(C)(C)C 2708a_100000102301_100000715429 [0,1,0,0,0,0|2,0,0]=3 3217 B11R0.165 CCCCNC(=O)NC(C)(C)C 273464a_100000102301_100000715429 [0,1,0,0,0,0|2,0,0]=3 3218 B11R0.165 CCCCNC(=O)NC(C)(C)C 273464a_100000715429_100000102301 [0,1,0,0,0,0|2,0,0]=3 3219 B11R0.165 CCCCNC(=O)NC(C)(C)C 512a_100000715429_100000102301 [0,1,0,0,0,0|2,0,0]=3 3220 B11R0.165 CCCCN[C@@H](C)CC(C)(C)C 2230a_106358413534_100000210211 [0,1,0,0,0,0|2,0,1]=4 3221 B11R0.165 CCCCOC(C)CC(C)(C)C 7a_200011218616_100000210211 [0,1,0,0,0,0|1,0,1]=3 3222 B11R0.165 CCCNCC(=O)NC(C)(C)C 2230a_100000174917_100000210303 [0,1,0,0,0,0|3,0,0]=4 3223 B11R0.165 CCCNCC(=O)NC(C)(C)C 34a_100000174917_100000210303 [0,1,0,0,0,0|3,0,0]=4 3224 B11R0.165 CCCNNC(=O)CC(C)(C)C 22a_100000740057_100000211214 [0,1,0,0,0,0|2,0,0]=3 3225 B11R0.165 CCCNNC(=O)CC(C)(C)O 22a_100000740057_100000693243 [0,1,0,0,0,0|2,0,0]=3 3226 B11R0.165 CCCNNC(=O)C[N+](C)(C)C 22a_100000740057_100000033712 [0,1,0,0,0,0|3,0,0]=4 3227 B11R0.165 CCCNNC(=O)NC(C)(C)C 273464a_100000715429_100000740057 [0,1,0,0,0,0|3,0,0]=4 3228 B11R0.165 CCCNNC(=O)NC(C)(C)C 512a_100000715429_100000740057 [0,1,0,0,0,0|3,0,0]=4 3229 B11R0.165 CCCOCC(=O)C[Si](C)(C)C 1458a_100000745993_100000233785 [0,1,0,0,0,0|2,1,0]=4 3230 B11R0.165 CCCOCC(=O)NC(C)(C)C 11a_100000715429_100000745993 [0,1,0,0,0,0|3,0,0]=4 3231 B11R0.165 CCCOCC(=O)NC(C)(C)C 1626a_100000715429_100000745993 [0,1,0,0,0,0|3,0,0]=4 3232 B11R0.165 CCCOCC(=O)NC(C)(C)C 240690a_100000715429_100000745993 [0,1,0,0,0,0|3,0,0]=4 3233 B11R0.165 CCCOCC(=O)NC(C)(C)C 34a_100000210258_100000182746 [0,1,0,0,0,0|3,0,0]=4 3234 B11R0.165 CCCOCC(=O)NC(C)(C)C 527a_100000715429_100000745993 [0,1,0,0,0,0|3,0,0]=4 3235 B11R0.165 CCCOCC(=O)OC(C)(C)C 34a_100000210258_100000183872 [0,1,0,0,0,0|3,0,0]=4 3236 B11R0.165 CCCOCC(=O)OC(C)(C)C 34a_100000752683_100000210303 [0,1,0,0,0,0|3,0,0]=4 3237 B11R0.165 CCCSCC(=O)C[Si](C)(C)C 1458a_100000217233_100000233785 [0,1,0,0,0,0|2,1,0]=4 3238 B11R0.165 CCCSCC(=O)NC(C)(C)C 11a_100000715429_100000217233 [0,1,0,0,0,0|3,0,0]=4 3239 B11R0.165 CCCSCC(=O)NC(C)(C)C 1626a_100000715429_100000217233 [0,1,0,0,0,0|3,0,0]=4 3240 B11R0.165 CCCSCC(=O)NC(C)(C)C 240690a_100000715429_100000217233 [0,1,0,0,0,0|3,0,0]=4 3241 B11R0.165 CCCSCC(=O)NC(C)(C)C 527a_100000715429_100000217233 [0,1,0,0,0,0|3,0,0]=4 3242 B11R0.165 CCCSCC(=O)NC(C)(C)C 62a_100000182746_100000210303 [0,1,0,0,0,0|3,0,0]=4 3243 B11R0.165 CCCSCC(=O)NC(C)(C)C 62a_100000210303_100000182746 [0,1,0,0,0,0|3,0,0]=4 3244 B11R0.165 CCCSCC(=O)OC(C)(C)C 62a_100000183872_100000210303 [0,1,0,0,0,0|3,0,0]=4 3245 B11R0.165 CCCSCC(=O)OC(C)(C)C 62a_100000210303_100000183872 [0,1,0,0,0,0|3,0,0]=4 3246 B11R0.165 CCNCCC(=O)NC(C)(C)C 2230a_100015525214_100011194433 [0,1,0,0,0,0|3,0,0]=4 3247 B11R0.165 CCNCCC(=O)OC(C)(C)C 2230a_100015525214_100009816755 [0,1,0,0,0,0|3,0,0]=4 3248 B11R0.165 CCNCOC(=O)CC(C)(C)C 2230a_100015525214_200010999194 [0,1,0,0,0,0|1,0,0]=2 3249 B11R0.165 CCOCCC(=O)CC(C)(C)C 1458a_100000211214_100011215890 [0,1,0,0,0,0|2,0,0]=3 3250 B11R0.165 CCOCCC(=O)CC(C)(C)O 1458a_100000693243_100011215890 [0,1,0,0,0,0|2,0,0]=3 3251 B11R0.165 CCOCCC(=O)C[N+](C)(C)C 1458a_100000033712_100011215890 [0,1,0,0,0,0|3,0,0]=4 3252 B11R0.165 CCOCCC(=O)C[Si](C)(C)C 1458a_100000749530_100000233785 [0,1,0,0,0,0|2,1,0]=4 3253 B11R0.165 CCOCCC(=O)C[Si](C)(C)C 1458a_100011218504_100011215890 [0,1,0,0,0,0|2,1,0]=4 3254 B11R0.165 CCOCCC(=O)NC(C)(C)C 11a_100000715429_100000749530 [0,1,0,0,0,0|3,0,0]=4 3255 B11R0.165 CCOCCC(=O)NC(C)(C)C 1626a_100000715429_100000749530 [0,1,0,0,0,0|3,0,0]=4 3256 B11R0.165 CCOCCC(=O)NC(C)(C)C 240690a_100000715429_100000749530 [0,1,0,0,0,0|3,0,0]=4 3257 B11R0.165 CCOCCC(=O)NC(C)(C)C 527a_100000715429_100000749530 [0,1,0,0,0,0|3,0,0]=4 3258 B11R0.165 CCOCCC(=O)OC(C)(C)C 34a_100011934494_100000210202 [0,1,0,0,0,0|3,0,0]=4 3259 B11R0.165 CCOCCC(=O)OC(C)(C)C 34a_100121572206_100009816755 [0,1,0,0,0,0|3,0,0]=4 3260 B11R0.165 CCOCCC(=O)OC(C)(C)C 7a_100011934494_100000210202 [0,1,0,0,0,0|3,0,0]=4 3261 B11R0.165 CCOCOC(=O)CC(C)(C)C 34a_100121572206_200010999194 [0,1,0,0,0,0|1,0,0]=2 3262 B11R0.165 CCSCCC(=O)CC(C)(C)C 1458a_100000211214_100000757381 [0,1,0,0,0,0|2,0,0]=3 3263 B11R0.165 CCSCCC(=O)CC(C)(C)O 1458a_100000693243_100000757381 [0,1,0,0,0,0|2,0,0]=3 3264 B11R0.165 CCSCCC(=O)C[N+](C)(C)C 1458a_100000033712_100000757381 [0,1,0,0,0,0|3,0,0]=4 3265 B11R0.165 CCSCCC(=O)C[Si](C)(C)C 1458a_100000230768_100000233785 [0,1,0,0,0,0|2,1,0]=4 3266 B11R0.165 CCSCCC(=O)C[Si](C)(C)C 1458a_100011218504_100000757381 [0,1,0,0,0,0|2,1,0]=4 3267 B11R0.165 CCSCCC(=O)NC(C)(C)C 11a_100000715429_100000230768 [0,1,0,0,0,0|3,0,0]=4 3268 B11R0.165 CCSCCC(=O)NC(C)(C)C 1626a_100000715429_100000230768 [0,1,0,0,0,0|3,0,0]=4 3269 B11R0.165 CCSCCC(=O)NC(C)(C)C 240690a_100000715429_100000230768 [0,1,0,0,0,0|3,0,0]=4 3270 B11R0.165 CCSCCC(=O)NC(C)(C)C 527a_100000715429_100000230768 [0,1,0,0,0,0|3,0,0]=4 3271 B11R0.165 CCSCCC(=O)NC(C)(C)C 62a_100000210202_100011194433 [0,1,0,0,0,0|3,0,0]=4 3272 B11R0.165 CCSCCC(=O)NC(C)(C)C 62a_100011194433_100000210202 [0,1,0,0,0,0|3,0,0]=4 3273 B11R0.165 CCSCCC(=O)OC(C)(C)C 62a_100000210202_100009816755 [0,1,0,0,0,0|3,0,0]=4 3274 B11R0.165 CCSCCC(=O)OC(C)(C)C 62a_100009816755_100000210202 [0,1,0,0,0,0|3,0,0]=4 3275 B11R0.165 CCSCOC(=O)CC(C)(C)C 62a_100000210202_200010999194 [0,1,0,0,0,0|1,0,0]=2 3276 B11R0.165 CCSCOC(=O)CC(C)(C)C 62a_200010999194_100000210202 [0,1,0,0,0,0|1,0,0]=2 3277 B11R0.165 CNCCCC(=O)NC(C)(C)C 2230a_106832991635_100011194434 [0,1,0,0,0,0|3,0,0]=4 3278 B11R0.165 CNCCCC(=O)NC(C)(C)C 7a_106832991635_100011194434 [0,1,0,0,0,0|3,0,0]=4 3279 B11R0.165 CNCCCC(=O)OC(C)(C)C 2230a_106832991635_100000708543 [0,1,0,0,0,0|3,0,0]=4 3280 B11R0.165 CNCCCC(=O)OC(C)(C)C 34a_100102657272_100000708543 [0,1,0,0,0,0|3,0,0]=4 3281 B11R0.165 CNCCCC(=O)OC(C)(C)C 7a_106832991635_100000708543 [0,1,0,0,0,0|3,0,0]=4 3282 B11R0.165 CNCCNC(=O)OC(C)(C)C 2230a_106832991635_100000691259 [0,1,0,0,0,0|3,0,0]=4 3283 B11R0.165 CNCCNC(=O)OC(C)(C)C 7a_106832991635_100000691259 [0,1,0,0,0,0|3,0,0]=4 3284 B11R0.165 COCCCC(=O)CC(C)(C)C 1458a_100000211214_100000740836 [0,1,0,0,0,0|2,0,0]=3 3285 B11R0.165 COCCCC(=O)CC(C)(C)O 1458a_100000693243_100000740836 [0,1,0,0,0,0|2,0,0]=3 3286 B11R0.165 COCCCC(=O)C[N+](C)(C)C 1458a_100000033712_100000740836 [0,1,0,0,0,0|3,0,0]=4 3287 B11R0.165 COCCCC(=O)C[Si](C)(C)C 1458a_100000741012_100000233785 [0,1,0,0,0,0|2,1,0]=4 3288 B11R0.165 COCCCC(=O)C[Si](C)(C)C 1458a_100011218504_100000740836 [0,1,0,0,0,0|2,1,0]=4 3289 B11R0.165 COCCCC(=O)NC(C)(C)C 11a_100000715429_100000741012 [0,1,0,0,0,0|3,0,0]=4 3290 B11R0.165 COCCCC(=O)NC(C)(C)C 1626a_100000715429_100000741012 [0,1,0,0,0,0|3,0,0]=4 3291 B11R0.165 COCCCC(=O)NC(C)(C)C 240690a_100000715429_100000741012 [0,1,0,0,0,0|3,0,0]=4 3292 B11R0.165 COCCCC(=O)NC(C)(C)C 527a_100000715429_100000741012 [0,1,0,0,0,0|3,0,0]=4 3293 B11R0.165 COCCCC(=O)OC(C)(C)C 34a_100000067108_200000210301 [0,1,0,0,0,0|3,0,0]=4 3294 B11R0.165 COCCCC(=O)OC(C)(C)C 34a_100138415774_100000708543 [0,1,0,0,0,0|3,0,0]=4 3295 B11R0.165 COCCCC(=O)OC(C)(C)C 7a_100000067108_200000210301 [0,1,0,0,0,0|3,0,0]=4 3296 B11R0.165 COCCNC(=O)CC(C)(C)C 1626a_100000209980_100000211214 [0,1,0,0,0,0|2,0,0]=3 3297 B11R0.165 COCCNC(=O)CC(C)(C)C 240690a_100000209980_100000211214 [0,1,0,0,0,0|2,0,0]=3 3298 B11R0.165 COCCNC(=O)CC(C)(C)C 527a_100000209980_100000211214 [0,1,0,0,0,0|2,0,0]=3 3299 B11R0.165 COCCNC(=O)CC(C)(C)O 527a_100000209980_100000693243 [0,1,0,0,0,0|2,0,0]=3 3300 B11R0.165 COCCNC(=O)C[N+](C)(C)C 1626a_100000209980_100000033712 [0,1,0,0,0,0|3,0,0]=4 3301 B11R0.165 COCCNC(=O)C[N+](C)(C)C 240690a_100000209980_100000033712 [0,1,0,0,0,0|3,0,0]=4 3302 B11R0.165 COCCNC(=O)C[N+](C)(C)C 527a_100000209980_100000033712 [0,1,0,0,0,0|3,0,0]=4 3303 B11R0.165 COCCNC(=O)C[Si](C)(C)C 1626a_100000209980_100011218504 [0,1,0,0,0,0|2,1,0]=4 3304 B11R0.165 COCCNC(=O)NC(C)(C)C 273464a_100000209980_100000715429 [0,1,0,0,0,0|3,0,0]=4 3305 B11R0.165 COCCNC(=O)NC(C)(C)C 273464a_100000715429_100000209980 [0,1,0,0,0,0|3,0,0]=4 3306 B11R0.165 COCCNC(=O)OC(C)(C)C 34a_100000743822_200000210301 [0,1,0,0,0,0|3,0,0]=4 3307 B11R0.165 COCCNC(=O)OC(C)(C)C 7a_100000743822_200000210301 [0,1,0,0,0,0|3,0,0]=4 3308 B11R0.165 COCCOC(C)CC(C)(C)C 7a_200011218616_100000233755 [0,1,0,0,0,0|2,0,1]=4 3309 B11R0.165 CSCCCC(=O)C[Si](C)(C)C 1458a_100000173376_100000233785 [0,1,0,0,0,0|2,1,0]=4 3310 B11R0.165 CSCCCC(=O)NC(C)(C)C 11a_100000715429_100000173376 [0,1,0,0,0,0|3,0,0]=4 3311 B11R0.165 CSCCCC(=O)NC(C)(C)C 1626a_100000715429_100000173376 [0,1,0,0,0,0|3,0,0]=4 3312 B11R0.165 CSCCCC(=O)NC(C)(C)C 240690a_100000715429_100000173376 [0,1,0,0,0,0|3,0,0]=4 3313 B11R0.165 CSCCCC(=O)NC(C)(C)C 527a_100000715429_100000173376 [0,1,0,0,0,0|3,0,0]=4 3314 B11R0.165 CSCCCC(=O)NC(C)(C)C 62a_100011194434_200000210301 [0,1,0,0,0,0|3,0,0]=4 3315 B11R0.165 CSCCCC(=O)NC(C)(C)C 62a_200000210301_100011194434 [0,1,0,0,0,0|3,0,0]=4 3316 B11R0.165 CSCCCC(=O)OC(C)(C)C 62a_100000708543_200000210301 [0,1,0,0,0,0|3,0,0]=4 3317 B11R0.165 CSCCCC(=O)OC(C)(C)C 62a_200000210301_100000708543 [0,1,0,0,0,0|3,0,0]=4 3318 B11R0.165 CSCCNC(=O)CC(C)(C)C 11a_100020590264_100000211214 [0,1,0,0,0,0|2,0,0]=3 3319 B11R0.165 CSCCNC(=O)CC(C)(C)C 1626a_100020590264_100000211214 [0,1,0,0,0,0|2,0,0]=3 3320 B11R0.165 CSCCNC(=O)CC(C)(C)C 240690a_100020590264_100000211214 [0,1,0,0,0,0|2,0,0]=3 3321 B11R0.165 CSCCNC(=O)CC(C)(C)C 527a_100020590264_100000211214 [0,1,0,0,0,0|2,0,0]=3 3322 B11R0.165 CSCCNC(=O)CC(C)(C)O 527a_100020590264_100000693243 [0,1,0,0,0,0|2,0,0]=3 3323 B11R0.165 CSCCNC(=O)C[N+](C)(C)C 11a_100020590264_100000033712 [0,1,0,0,0,0|3,0,0]=4 3324 B11R0.165 CSCCNC(=O)C[N+](C)(C)C 1626a_100020590264_100000033712 [0,1,0,0,0,0|3,0,0]=4 3325 B11R0.165 CSCCNC(=O)C[N+](C)(C)C 240690a_100020590264_100000033712 [0,1,0,0,0,0|3,0,0]=4 3326 B11R0.165 CSCCNC(=O)C[N+](C)(C)C 527a_100020590264_100000033712 [0,1,0,0,0,0|3,0,0]=4 3327 B11R0.165 CSCCNC(=O)C[Si](C)(C)C 11a_100020590264_100011218504 [0,1,0,0,0,0|2,1,0]=4 3328 B11R0.165 CSCCNC(=O)C[Si](C)(C)C 1626a_100020590264_100011218504 [0,1,0,0,0,0|2,1,0]=4 3329 B11R0.165 CSCCNC(=O)NC(C)(C)C 2708a_100020590264_100000715429 [0,1,0,0,0,0|3,0,0]=4 3330 B11R0.165 CSCCNC(=O)NC(C)(C)C 273464a_100000715429_100020590264 [0,1,0,0,0,0|3,0,0]=4 3331 B11R0.165 CSCCNC(=O)NC(C)(C)C 273464a_100020590264_100000715429 [0,1,0,0,0,0|3,0,0]=4 3332 B11R0.165 CSCCNC(=O)NC(C)(C)C 512a_100000715429_100020590264 [0,1,0,0,0,0|3,0,0]=4 3333 B11R0.165 CSCCNC(=O)OC(C)(C)C 62a_100000691259_200000210301 [0,1,0,0,0,0|3,0,0]=4 3334 B11R0.165 CSCCNC(=O)OC(C)(C)C 62a_200000210301_100000691259 [0,1,0,0,0,0|3,0,0]=4 3335 B11R0.165 CSCCOC(C)CC(C)(C)C 7a_200011218616_100000212216 [0,1,0,0,0,0|2,0,1]=4 3336 B11R0.165 C[N+](C)(C)CC(=O)CCCCF 1458a_100000033712_100000729493 [0,1,0,0,0,0|3,0,0]=4 3337 B11R0.165 C[N+](C)(C)CC(=O)CCCCO 1458a_100000033712_100000210776 [0,1,0,0,0,0|3,0,0]=4 3338 B11R0.165 C[N+](C)(C)CC(=O)NCCCF 11a_100015189416_100000033712 [0,1,0,0,0,0|3,0,0]=4 3339 B11R0.165 C[N+](C)(C)CC(=O)NCCCF 1626a_100015189416_100000033712 [0,1,0,0,0,0|3,0,0]=4 3340 B11R0.165 C[N+](C)(C)CC(=O)NCCCF 240690a_100015189416_100000033712 [0,1,0,0,0,0|3,0,0]=4 3341 B11R0.165 C[N+](C)(C)CC(=O)NCCCF 527a_100015189416_100000033712 [0,1,0,0,0,0|3,0,0]=4 3342 B11R0.165 C[N+](C)(C)CC(=O)NCCCO 240690a_100000182051_100000033712 [0,1,0,0,0,0|3,0,0]=4 3343 B11R0.165 C[N+](C)(C)CC(=O)NCCCO 527a_100000182051_100000033712 [0,1,0,0,0,0|3,0,0]=4 3344 B11R0.165 C[Si](C)(C)CC(=O)CCCCF 1458a_100011218504_100000729493 [0,1,0,0,0,0|2,1,0]=4 3345 B11R0.165 C[Si](C)(C)CC(=O)CCCCO 1458a_100000695505_100000233785 [0,1,0,0,0,0|2,1,0]=4 3346 B11R0.165 C[Si](C)(C)CC(=O)CCCCO 1458a_100011218504_100000210776 [0,1,0,0,0,0|2,1,0]=4 3347 B11R0.165 C[Si](C)(C)CC(=O)NCCCF 11a_100015189416_100011218504 [0,1,0,0,0,0|2,1,0]=4 3348 B11R0.165 C[Si](C)(C)CC(=O)NCCCF 1626a_100015189416_100011218504 [0,1,0,0,0,0|2,1,0]=4 3349 B11R0.324 CC(C)CS(=O)(=O)NCCCF 270084a_100015189416_100000748289 [0,1,0,0,0,0|3,0,0]=4 3350 B11R0.324 CC(C)CS(=O)(=O)NCCCF 274078a_100015189416_100000748289 [0,1,0,0,0,0|3,0,0]=4 3351 B11R0.324 CC(C)CS(=O)(=O)NCCCO 270084a_100000182051_100000748289 [0,1,0,0,0,0|3,0,0]=4 3352 B11R0.324 CC(C)CS(=O)(=O)NCCCO 274078a_100000182051_100000748289 [0,1,0,0,0,0|3,0,0]=4 3353 B11R0.324 CCCCCS(=O)(=O)NC(C)C 270084a_100138425928_100000753860 [0,1,0,0,0,0|3,0,0]=4 3354 B11R0.324 CCCCCS(=O)(=O)NC(C)C 274078a_100138425928_100000753860 [0,1,0,0,0,0|3,0,0]=4 3355 B11R0.324 CCCCNC(C)(C)CC(C)C 2230a_100011346068_100000210211 [0,1,0,0,0,0|2,0,1]=4 3356 B11R0.324 CCCCNS(=O)(=O)CC(C)C 270084a_100000102301_100000748289 [0,1,0,0,0,0|2,0,0]=3 3357 B11R0.324 CCCCNS(=O)(=O)CC(C)C 274078a_100000102301_100000748289 [0,1,0,0,0,0|2,0,0]=3 3358 B11R0.324 COCCNS(=O)(=O)CC(C)C 270084a_100000209980_100000748289 [0,1,0,0,0,0|3,0,0]=4 3359 B11R0.324 COCCNS(=O)(=O)CC(C)C 274078a_100000209980_100000748289 [0,1,0,0,0,0|3,0,0]=4 3360 B11R0.324 CSCCNS(=O)(=O)CC(C)C 270084a_100020590264_100000748289 [0,1,0,0,0,0|3,0,0]=4 3361 B11R0.324 CSCCNS(=O)(=O)CC(C)C 274078a_100020590264_100000748289 [0,1,0,0,0,0|3,0,0]=4 3362 B11R1.27 CC1CCC(C1)OCCCF 34a_100000698185_100011934791 [0,0,0,1,0,0|2,0,1]=4 3363 B11R1.27 CC1CCC(C1)OCCCO 34a_100000698185_100000230001 [0,0,0,1,0,0|2,0,1]=4 3364 B11R1.27 CCCCCN1CC[C@H](C1)C 2230a_100016987628_100000210326 [0,0,0,1,0,0|3,0,0]=4 3365 B11R1.27 CCCCCN1CC[C@H](C1)C 269982a_100016987628_100000210215 [0,0,0,1,0,0|3,0,0]=4 3366 B11R1.27 CCCCCN1CC[C@H](C1)C 34a_100016987628_100000718602 [0,0,0,1,0,0|3,0,0]=4 3367 B11R1.27 CCCCNC1CCC(C1)C 270004a_100000102301_100011215218 [0,0,0,1,0,0|2,0,1]=4 3368 B11R1.27 CCCCOC1CCC(C1)C 34a_100000698185_100000210210 [0,0,0,1,0,0|1,0,1]=3 3369 B11R1.27 CCCCOC1CCN(C1)C 7a_100000210227_200012183744 [0,0,0,1,0,0|2,0,1]=4 3370 B11R1.27 CCCNN=C1CCC(C1)C 4a_100000740057_100011215218 [0,0,0,1,0,0|3,0,0]=4 3371 B11R1.27 COCCOC1CCC(C1)C 34a_100000698185_100011201679 [0,0,0,1,0,0|2,0,1]=4 3372 B11R1.27 CSCCOC1CCC(C1)C 34a_100000698185_100000212216 [0,0,0,1,0,0|2,0,1]=4 3373 B11R1.43 CCc1noc(n1)CC(C)C 270196a_200000212204_100000210554 [0,0,0,1,0,0|2,0,1]=4 3374 B11R1.77 C=C(C)CC(=O)C1CCCC1 1458a_100000210718_100000748629 [0,0,0,1,0,0|1,0,2]=4 3375 B11R1.77 CC(=CC(=O)C1CCCC1)C 1458a_100000211388_100000179811 [0,0,0,1,0,0|1,0,2]=4 3376 B11R1.77 CC(=CC(=O)N1CCCC1)C 240690a_100000188435_100000211388 [0,0,0,1,0,0|1,0,2]=4 3377 B11R1.77 CC(=O)CC(=O)N1CCCC1 1458a_100000070787_100000183516 [0,0,0,1,0,0|2,0,1]=4 3378 B11R1.77 CC(C)CC(=O)C1=CCCC1 1458a_100000038896_100000210624 [0,0,0,1,0,0|1,0,1]=3 3379 B11R1.77 CC(C)CC(=O)C1=CCOC1 1458a_100000139269_100000210624 [0,0,0,1,0,0|2,0,1]=4 3380 B11R1.77 CC(C)CC(=O)C1=COCC1 1458a_100000750620_100000210624 [0,0,0,1,0,0|2,0,1]=4 3381 B11R1.77 CC(C)CC(=O)C1CC=CC1 1458a_100000759439_100000210624 [0,0,0,1,0,0|1,0,2]=4 3382 B11R1.77 CC(C)CC(=O)C1CCCC1 1458a_100000210554_100000179811 [0,0,0,1,0,0|1,0,0]=2 3383 B11R1.77 CC(C)CC(=O)C1CCCC1 1458a_100000210718_100000210624 [0,0,0,1,0,0|1,0,0]=2 3384 B11R1.77 CC(C)CC(=O)C1CCCS1 1458a_100012002731_100000210624 [0,0,0,1,0,0|2,0,0]=3 3385 B11R1.77 CC(C)CC(=O)C1CCOC1 1458a_100000210554_100000690089 [0,0,0,1,0,0|2,0,0]=3 3386 B11R1.77 CC(C)CC(=O)C1CCOC1 1458a_100011219752_100000210624 [0,0,0,1,0,0|2,0,0]=3 3387 B11R1.77 CC(C)CC(=O)N1CC=CC1 1626a_100015195280_100000210554 [0,0,0,1,0,0|1,0,2]=4 3388 B11R1.77 CC(C)CC(=O)N1CC=CC1 240690a_100015195280_100000210554 [0,0,0,1,0,0|1,0,2]=4 3389 B11R1.77 CC(C)CC(=O)N1CCCC1 240690a_100000188435_100000210554 [0,0,0,1,0,0|1,0,0]=2 3390 B11R1.77 CC(C)CC(=O)N1CCCC1 527a_100000188435_100000210554 [0,0,0,1,0,0|1,0,0]=2 3391 B11R1.77 CC(C)CC(=O)N1CCSC1 11a_100011215254_100000210554 [0,0,0,1,0,0|2,0,0]=3 3392 B11R1.77 CC(C)CC(=O)N1CCSC1 240690a_100011215254_100000210554 [0,0,0,1,0,0|2,0,0]=3 3393 B11R1.77 CC(C)CC(=O)N1CCSC1 527a_100011215254_100000210554 [0,0,0,1,0,0|2,0,0]=3 3394 B11R1.77 CC(C)CC(=O)[C@@H]1CCCO1 1458a_100000686382_100000210624 [0,0,0,1,0,0|2,0,0]=3 3395 B11R1.77 CC(C)CC(C)N1CCCC1 2230a_100000188435_100000731052 [0,0,0,1,0,0|2,0,1]=4 3396 B11R1.77 CC(C)CC(C)N1CCCC1 269982a_100000188435_100000731052 [0,0,0,1,0,0|2,0,1]=4 3397 B11R1.77 CC(C)CN(C)C1CCCC1 2230a_100000207505_100000210760 [0,0,0,1,0,0|3,0,0]=4 3398 B11R1.77 CC(C)CN(C)C1CCCC1 2230a_100000747067_100000179811 [0,0,0,1,0,0|3,0,0]=4 3399 B11R1.77 CC(C)CN(C)C1CCCC1 269982a_100000207505_100000210624 [0,0,0,1,0,0|3,0,0]=4 3400 B11R1.77 CC(C)CN(C)C1CCCC1 269982a_100000747067_100000179811 [0,0,0,1,0,0|3,0,0]=4 3401 B11R1.77 CC(C)CN(C)C1CCCC1 270004a_100000207505_100000210432 [0,0,0,1,0,0|3,0,0]=4 3402 B11R1.77 CC(C)CN(C)C1CCCC1 270004a_100000747067_100000210133 [0,0,0,1,0,0|3,0,0]=4 3403 B11R1.77 CC(C)CN(C)C1CCCC1 34a_100000207505_100000210624 [0,0,0,1,0,0|3,0,0]=4 3404 B11R1.77 CC(C)NC(=O)C1=CCCC1 11a_100138425928_100000038896 [0,0,0,1,0,0|2,0,1]=4 3405 B11R1.77 CC(C)NC(=O)C1=CCCC1 1626a_100138425928_100000038896 [0,0,0,1,0,0|2,0,1]=4 3406 B11R1.77 CC(C)NC(=O)C1=CCCC1 240690a_100138425928_100000038896 [0,0,0,1,0,0|2,0,1]=4 3407 B11R1.77 CC(C)NC(=O)C1CCCC1 11a_100138425928_100000210718 [0,0,0,1,0,0|2,0,0]=3 3408 B11R1.77 CC(C)NC(=O)C1CCCC1 1626a_100138425928_100000210718 [0,0,0,1,0,0|2,0,0]=3 3409 B11R1.77 CC(C)NC(=O)C1CCCC1 240690a_100138425928_100000210718 [0,0,0,1,0,0|2,0,0]=3 3410 B11R1.77 CC(C)NC(=O)C1CCCC1 527a_100138425928_100000210718 [0,0,0,1,0,0|2,0,0]=3 3411 B11R1.77 CC(C)NC(=O)C1CCCS1 11a_100138425928_100012002731 [0,0,0,1,0,0|3,0,0]=4 3412 B11R1.77 CC(C)NC(=O)C1CCCS1 1626a_100138425928_100012002731 [0,0,0,1,0,0|3,0,0]=4 3413 B11R1.77 CC(C)NC(=O)C1CCCS1 240690a_100138425928_100012002731 [0,0,0,1,0,0|3,0,0]=4 3414 B11R1.77 CC(C)NC(=O)C1CCCS1 527a_100138425928_100012002731 [0,0,0,1,0,0|3,0,0]=4 3415 B11R1.77 CC(C)NC(=O)C1CCOC1 11a_100138425928_100011219752 [0,0,0,1,0,0|3,0,0]=4 3416 B11R1.77 CC(C)NC(=O)C1CCOC1 1626a_100138425928_100011219752 [0,0,0,1,0,0|3,0,0]=4 3417 B11R1.77 CC(C)NC(=O)C1CCOC1 240690a_100138425928_100011219752 [0,0,0,1,0,0|3,0,0]=4 3418 B11R1.77 CC(C)NC(=O)C1CCOC1 527a_100138425928_100011219752 [0,0,0,1,0,0|3,0,0]=4 3419 B11R1.77 CC(C)NC(=O)N1CCCC1 2708a_100138425928_100000188435 [0,0,0,1,0,0|2,0,0]=3 3420 B11R1.77 CC(C)NC(=O)N1CCCC1 273464a_100138425928_100000188435 [0,0,0,1,0,0|2,0,0]=3 3421 B11R1.77 CC(C)NC(=O)N1CCSC1 2708a_100138425928_100011215254 [0,0,0,1,0,0|3,0,0]=4 3422 B11R1.77 CC(C)NC(=O)N1CCSC1 273464a_100138425928_100011215254 [0,0,0,1,0,0|3,0,0]=4 3423 B11R1.77 CC(C)NC(=O)[C@@H]1CCCO1 11a_100138425928_100000686382 [0,0,0,1,0,0|3,0,0]=4 3424 B11R1.77 CC(C)NC(=O)[C@@H]1CCCO1 1626a_100138425928_100000686382 [0,0,0,1,0,0|3,0,0]=4 3425 B11R1.77 CC(C)NC(=O)[C@@H]1CCCO1 240690a_100138425928_100000686382 [0,0,0,1,0,0|3,0,0]=4 3426 B11R1.77 CC(C)NC(=O)[C@@H]1CCCO1 527a_100138425928_100000686382 [0,0,0,1,0,0|3,0,0]=4 3427 B11R1.77 CC(O)CC(=O)C1=CCCC1 1458a_100000038896_100011218427 [0,0,0,1,0,0|2,0,1]=4 3428 B11R1.77 CC(O)CC(=O)C1CCCC1 1458a_100000210718_100011218427 [0,0,0,1,0,0|2,0,0]=3 3429 B11R1.77 CC(O)CC(=O)C1CCCS1 1458a_100012002731_100011218427 [0,0,0,1,0,0|3,0,0]=4 3430 B11R1.77 CC(O)CC(=O)C1CCOC1 1458a_100011219752_100011218427 [0,0,0,1,0,0|3,0,0]=4 3431 B11R1.77 CC(O)CC(=O)[C@@H]1CCCO1 1458a_100000686382_100011218427 [0,0,0,1,0,0|3,0,0]=4 3432 B11R1.77 CN(C)CC(=O)C1CCCC1 1458a_100000750896_100000179811 [0,0,0,1,0,0|2,0,0]=3 3433 B11R1.77 CN(C)CC(=O)C1CCOC1 1458a_100000750896_100000690089 [0,0,0,1,0,0|3,0,0]=4 3434 B11R1.77 CN(C)CC(=O)N1CCCC1 2230a_100025772637_200000210301 [0,0,0,1,0,0|2,0,0]=3 3435 B11R1.77 CN(C)CC(=O)N1CCCC1 2230a_100102631434_100000183516 [0,0,0,1,0,0|2,0,0]=3 3436 B11R1.77 CN(C)CC(=O)N1CCCC1 240690a_100000188435_100000750896 [0,0,0,1,0,0|2,0,0]=3 3437 B11R1.77 CN(C)CC(=O)N1CCCC1 269982a_100025772637_200000210301 [0,0,0,1,0,0|2,0,0]=3 3438 B11R1.77 CN(C)CC(=O)N1CCCC1 269982a_100102631434_100000183516 [0,0,0,1,0,0|2,0,0]=3 3439 B11R1.77 CN(C)CC(=O)N1CCCC1 527a_100000188435_100000750896 [0,0,0,1,0,0|2,0,0]=3 3440 B11R1.77 CN(C)CC(=O)N1CCSC1 11a_100011215254_100000750896 [0,0,0,1,0,0|3,0,0]=4 3441 B11R1.77 CN(C)CC(=O)N1CCSC1 240690a_100011215254_100000750896 [0,0,0,1,0,0|3,0,0]=4 3442 B11R1.77 CN(C)CC(=O)N1CCSC1 527a_100011215254_100000750896 [0,0,0,1,0,0|3,0,0]=4 3443 B11R1.77 CN([13CH3])CC(=O)N1CCCC1 2230a_100025772637_200025704644 [0,0,0,1,0,0|2,0,0]=3 3444 B11R1.77 CN([13CH3])CC(=O)N1CCCC1 269982a_100025772637_200025704644 [0,0,0,1,0,0|2,0,0]=3 3445 B11R1.77 C[C@@H](O)CC(=O)C1CCCC1 1458a_100011933948_100000179811 [0,0,0,1,0,0|2,0,0]=3 3446 B11R1.77 C[C@@H](O)CC(=O)C1CCOC1 1458a_100011933948_100000690089 [0,0,0,1,0,0|3,0,0]=4 3447 B11R1.77 C[C@@H](O)CC(=O)N1CCCC1 240690a_100000188435_100011933948 [0,0,0,1,0,0|2,0,0]=3 3448 B11R1.77 C[C@@H](O)CC(=O)N1CCSC1 240690a_100011215254_100011933948 [0,0,0,1,0,0|3,0,0]=4 3449 B11R1.77 C[S+](C)CC(=O)C1CCCC1 1458a_200159257847_100000179811 [0,0,0,1,0,0|2,0,0]=3 3450 B11R1.77 C[S+](C)CC(=O)C1CCOC1 1458a_200159257847_100000690089 [0,0,0,1,0,0|3,0,0]=4 3451 B11R1.77 C[S+](C)CC(=O)N1CCCC1 240690a_100000188435_200159257847 [0,0,0,1,0,0|2,0,0]=3 3452 B11R1.77 C[S+](C)CC(=O)N1CCCC1 527a_100000188435_200159257847 [0,0,0,1,0,0|2,0,0]=3 3453 B11R1.77 C[S+](C)CC(=O)N1CCSC1 11a_100011215254_200159257847 [0,0,0,1,0,0|3,0,0]=4 3454 B11R1.77 C[S+](C)CC(=O)N1CCSC1 240690a_100011215254_200159257847 [0,0,0,1,0,0|3,0,0]=4 3455 B11R1.77 C[S+](C)CC(=O)N1CCSC1 527a_100011215254_200159257847 [0,0,0,1,0,0|3,0,0]=4 3456 B11R1.77 O=C(CC(F)F)C1CCCC1 1458a_100000210718_100011934356 [0,0,0,1,0,0|3,0,0]=4 3457 B11R1.106 CC(C)CC(=O)N[C@@H]1C[C@@H]1F 240690a_100015190264_100000210554 [0,0,0,1,0,0|2,0,0]=3 3458 B11R1.106 CC(C)CC(=O)N[C@@H]1C[C@@H]1F 527a_100015190264_100000210554 [0,0,0,1,0,0|2,0,0]=3 3459 B11R1.106 CC(C)CC(=O)N[C@@H]1C[C@H]1F 11a_100025746932_100000210554 [0,0,0,1,0,0|2,0,0]=3 3460 B11R1.106 CC(C)CC(=O)N[C@@H]1C[C@H]1F 1626a_100025746932_100000210554 [0,0,0,1,0,0|2,0,0]=3 3461 B11R1.106 CC(C)CC(=O)N[C@@H]1C[C@H]1F 240690a_100025746932_100000210554 [0,0,0,1,0,0|2,0,0]=3 3462 B11R1.106 CC(C)CC(=O)N[C@@H]1C[C@H]1F 527a_100025746932_100000210554 [0,0,0,1,0,0|2,0,0]=3 3463 B11R1.106 CC(C)NC(=O)N[C@@H]1C[C@@H]1F 2708a_100138425928_100015190264 [0,0,0,1,0,0|3,0,0]=4 3464 B11R1.106 CC(C)NC(=O)N[C@@H]1C[C@@H]1F 273464a_100138425928_100015190264 [0,0,0,1,0,0|3,0,0]=4 3465 B11R1.106 CC(C)NC(=O)N[C@@H]1C[C@@H]1F 512a_100138425928_100015190264 [0,0,0,1,0,0|3,0,0]=4 3466 B11R1.106 CC(C)NC(=O)N[C@@H]1C[C@H]1F 2708a_100138425928_100025746932 [0,0,0,1,0,0|3,0,0]=4 3467 B11R1.106 CC(C)NC(=O)N[C@@H]1C[C@H]1F 273464a_100138425928_100025746932 [0,0,0,1,0,0|3,0,0]=4 3468 B11R1.106 CC(C)NC(=O)N[C@@H]1C[C@H]1F 512a_100025746932_100138425928 [0,0,0,1,0,0|3,0,0]=4 3469 B11R1.106 CC(C)NC(=O)N[C@@H]1C[C@H]1F 512a_100138425928_100025746932 [0,0,0,1,0,0|3,0,0]=4 3470 B11R1.106 CN(C)CC(=O)N[C@@H]1C[C@@H]1F 240690a_100015190264_100000750896 [0,0,0,1,0,0|3,0,0]=4 3471 B11R1.106 CN(C)CC(=O)N[C@@H]1C[C@@H]1F 527a_100015190264_100000750896 [0,0,0,1,0,0|3,0,0]=4 3472 B11R1.106 CN(C)CC(=O)N[C@@H]1C[C@H]1F 11a_100025746932_100000750896 [0,0,0,1,0,0|3,0,0]=4 3473 B11R1.106 CN(C)CC(=O)N[C@@H]1C[C@H]1F 240690a_100025746932_100000750896 [0,0,0,1,0,0|3,0,0]=4 3474 B11R1.106 CN(C)CC(=O)N[C@@H]1C[C@H]1F 527a_100025746932_100000750896 [0,0,0,1,0,0|3,0,0]=4 3475 B11R1.106 C[C@@H](O)CC(=O)N[C@@H]1C[C@@H]1F 240690a_100015190264_100011933948 [0,0,0,1,0,0|3,0,0]=4 3476 B11R1.106 C[C@@H](O)CC(=O)N[C@@H]1C[C@H]1F 240690a_100025746932_100011933948 [0,0,0,1,0,0|3,0,0]=4 3477 B11R1.106 C[S+](C)CC(=O)N[C@@H]1C[C@@H]1F 240690a_100015190264_200159257847 [0,0,0,1,0,0|3,0,0]=4 3478 B11R1.106 C[S+](C)CC(=O)N[C@@H]1C[C@@H]1F 527a_100015190264_200159257847 [0,0,0,1,0,0|3,0,0]=4 3479 B11R1.106 C[S+](C)CC(=O)N[C@@H]1C[C@H]1F 11a_100025746932_200159257847 [0,0,0,1,0,0|3,0,0]=4 3480 B11R1.106 C[S+](C)CC(=O)N[C@@H]1C[C@H]1F 1626a_100025746932_200159257847 [0,0,0,1,0,0|3,0,0]=4 3481 B11R1.106 C[S+](C)CC(=O)N[C@@H]1C[C@H]1F 240690a_100025746932_200159257847 [0,0,0,1,0,0|3,0,0]=4 3482 B11R1.106 C[S+](C)CC(=O)N[C@@H]1C[C@H]1F 527a_100025746932_200159257847 [0,0,0,1,0,0|3,0,0]=4 3483 B11R1.141 CC(=CC(=O)N1CCC1C)C 11a_100000755817_100000211388 [0,0,0,1,0,0|1,0,2]=4 3484 B11R1.141 CC(=CC(=O)N1CCC1C)C 240690a_100000755817_100000211388 [0,0,0,1,0,0|1,0,2]=4 3485 B11R1.141 CC(C)CC(=O)C1CCC1=O 1458a_100000210554_100009892977 [0,0,0,1,0,0|2,0,1]=4 3486 B11R1.141 CC(C)CC(=O)N1CCC1C 11a_100000755817_100000210554 [0,0,0,1,0,0|1,0,0]=2 3487 B11R1.141 CC(C)CC(=O)N1CCC1C 240690a_100000755817_100000210554 [0,0,0,1,0,0|1,0,0]=2 3488 B11R1.141 CC(C)CC(=O)N1CCC1C 527a_100000755817_100000210554 [0,0,0,1,0,0|1,0,0]=2 3489 B11R1.141 CC(C)CC(C)N1CCC1C 269982a_100000755817_100000731052 [0,0,0,1,0,0|2,0,1]=4 3490 B11R1.141 CC(C)CC(C)N1CCC1C 34a_100000755817_100000731052 [0,0,0,1,0,0|2,0,1]=4 3491 B11R1.141 CC(C)NC(=O)N1CCC1C 2708a_100138425928_100000755817 [0,0,0,1,0,0|2,0,0]=3 3492 B11R1.141 CC(C)NC(=O)N1CCC1C 273464a_100138425928_100000755817 [0,0,0,1,0,0|2,0,0]=3 3493 B11R1.141 CC1CCN1C(=O)CN(C)C 11a_100000755817_100000750896 [0,0,0,1,0,0|2,0,0]=3 3494 B11R1.141 CC1CCN1C(=O)CN(C)C 240690a_100000755817_100000750896 [0,0,0,1,0,0|2,0,0]=3 3495 B11R1.141 CC1CCN1C(=O)CN(C)C 527a_100000755817_100000750896 [0,0,0,1,0,0|2,0,0]=3 3496 B11R1.141 CC1CCN1C(=O)C[C@@H](C)O 240690a_100000755817_100011933948 [0,0,0,1,0,0|2,0,0]=3 3497 B11R1.141 CC1CCN1C(=O)C[S+](C)C 11a_100000755817_200159257847 [0,0,0,1,0,0|2,0,0]=3 3498 B11R1.141 CC1CCN1C(=O)C[S+](C)C 240690a_100000755817_200159257847 [0,0,0,1,0,0|2,0,0]=3 3499 B11R1.141 CC1CCN1C(=O)C[S+](C)C 527a_100000755817_200159257847 [0,0,0,1,0,0|2,0,0]=3 3500 B11R1.143 CC(=O)C1CCCCCC1=O 1458a_100000070787_100000243696 [0,0,0,1,0,0|2,0,1]=4 3501 B11R1.143 CC(=O)C1CCCCNC1=O 1458a_100000070787_100000735217 [0,0,0,1,0,0|2,0,1]=4 3502 B11R1.143 CC(C)C1CCCCCN1C 2230a_100000697956_200000210301 [0,0,0,1,0,0|3,0,0]=4 3503 B11R1.143 CC(C)C1CCCCCN1C 269982a_100000697956_200000210301 [0,0,0,1,0,0|3,0,0]=4 3504 B11R1.143 CC(C)C1CCCCCN1C 34a_100000697956_200000210301 [0,0,0,1,0,0|3,0,0]=4 3505 B11R1.143 CC(C)C1CCCCCN1[13CH3] 2230a_100000697956_200025704644 [0,0,0,1,0,0|3,0,0]=4 3506 B11R1.143 CC(C)C1CCCCCN1[13CH3] 269982a_100000697956_200025704644 [0,0,0,1,0,0|3,0,0]=4 3507 B11R1.143 CC(C)C1CCCCCN1[13CH3] 34a_100000697956_200025704644 [0,0,0,1,0,0|3,0,0]=4 3508 B11R1.143 CN(C)C1CCCCCC1=O 269982a_100102631434_100000243696 [0,0,0,1,0,0|2,0,0]=3 3509 B11R1.143 CN(C)C1CCCCNC1=O 2230a_100102631434_100000735217 [0,0,0,1,0,0|2,0,0]=3 3510 B11R1.143 CN(C)C1CCCCNC1=O 269982a_100102631434_100000735217 [0,0,0,1,0,0|2,0,0]=3 3511 B11R1.156 CC(C)C1C(=O)NCCN1C 2230a_100000751287_200000210301 [0,0,0,1,0,0|2,0,0]=3 3512 B11R1.156 CC(C)C1C(=O)NCCN1C 269982a_100000751287_200000210301 [0,0,0,1,0,0|2,0,0]=3 3513 B11R1.156 CC(C)C1C(=O)NCCN1C 34a_100000751287_200000210301 [0,0,0,1,0,0|2,0,0]=3 3514 B11R1.156 CC(C)C1C(=O)NCCN1[13CH3] 2230a_100000751287_200025704644 [0,0,0,1,0,0|2,0,0]=3 3515 B11R1.156 CC(C)C1C(=O)NCCN1[13CH3] 269982a_100000751287_200025704644 [0,0,0,1,0,0|2,0,0]=3 3516 B11R1.156 CC(C)C1C(=O)NCCN1[13CH3] 34a_100000751287_200025704644 [0,0,0,1,0,0|2,0,0]=3 3517 B11R1.157 CC(C)CN1CCC[C@@H](C1)C 2230a_100000717927_100000210760 [0,0,0,1,0,0|3,0,0]=4 3518 B11R1.157 CC(C)CN1CCC[C@@H](C1)C 269982a_100000717927_100000210624 [0,0,0,1,0,0|3,0,0]=4 3519 B11R1.157 CC(C)CN1CCC[C@@H](C1)C 270004a_100000717927_100000210432 [0,0,0,1,0,0|3,0,0]=4 3520 B11R1.157 CC(C)CN1CCC[C@@H](C1)C 34a_100000717927_100000210624 [0,0,0,1,0,0|3,0,0]=4 3521 B11R1.230 CCCOC1CC(OC1=O)C 34a_100000210258_200000216747 [0,0,0,1,0,0|3,0,0]=4 3522 B11R1.230 CCCSC1CC(OC1=O)C 62a_100000210303_200000216747 [0,0,0,1,0,0|3,0,0]=4 3523 B11R1.230 CCCSC1CC(OC1=O)C 62a_200000216747_100000210303 [0,0,0,1,0,0|3,0,0]=4 3524 B11R1.257 C=C(C)CC(=O)C1CC1CC 1458a_200011661523_100000748629 [0,0,0,1,0,0|1,0,2]=4 3525 B11R1.257 CC(C)CC(=O)[C@@H]1C[C@H]1C#N 1458a_100015294237_100000210624 [0,0,0,1,0,0|2,0,1]=4 3526 B11R1.257 CCC1CC1C(=O)CC(C)C 1458a_200011661523_100000210624 [0,0,0,1,0,0|1,0,0]=2 3527 B11R1.257 CCC1CC1C(=O)CC(C)O 1458a_200011661523_100011218427 [0,0,0,1,0,0|2,0,0]=3 3528 B11R1.257 CCC1CC1C(=O)CC(F)F 1458a_200011661523_100011934356 [0,0,0,1,0,0|3,0,0]=4 3529 B11R1.257 CCC1CC1C(=O)NC(C)C 11a_100138425928_200011661523 [0,0,0,1,0,0|2,0,0]=3 3530 B11R1.257 CCC1CC1C(=O)NC(C)C 1626a_100138425928_200011661523 [0,0,0,1,0,0|2,0,0]=3 3531 B11R1.257 CCC1CC1C(=O)NC(C)C 240690a_100138425928_200011661523 [0,0,0,1,0,0|2,0,0]=3 3532 B11R1.257 CCC1CC1C(=O)NC(C)C 527a_100138425928_200011661523 [0,0,0,1,0,0|2,0,0]=3 3533 B11R1.301 C#CCCCC(=O)CC1CC1 1458a_100000690238_100000742324 [0,0,0,1,0,0|1,0,2]=4 3534 B11R1.301 C#CCCCC(=O)CC1CC1 1458a_100000738066_100000731252 [0,0,0,1,0,0|1,0,2]=4 3535 B11R1.301 C#CCCNC(=O)CC1CC1 11a_100000755551_100000738066 [0,0,0,1,0,0|1,0,2]=4 3536 B11R1.301 C#CCCNC(=O)CC1CC1 1626a_100000755551_100000738066 [0,0,0,1,0,0|1,0,2]=4 3537 B11R1.301 C#CCCNC(=O)CC1CC1 240690a_100000755551_100000738066 [0,0,0,1,0,0|1,0,2]=4 3538 B11R1.301 C#CCCNC(=O)CC1CC1 527a_100000755551_100000738066 [0,0,0,1,0,0|1,0,2]=4 3539 B11R1.301 C=CCCCC(=O)CC1CC1 1458a_100000738066_100000757094 [0,0,0,1,0,0|1,0,2]=4 3540 B11R1.301 C=CCCCC(=O)CC1CC1 1458a_100000766728_100000742324 [0,0,0,1,0,0|1,0,2]=4 3541 B11R1.301 C=CCCNC(=O)CC1CC1 11a_100015191253_100000738066 [0,0,0,1,0,0|1,0,2]=4 3542 B11R1.301 C=CCCNC(=O)CC1CC1 1626a_100015191253_100000738066 [0,0,0,1,0,0|1,0,2]=4 3543 B11R1.301 C=CCCNC(=O)CC1CC1 240690a_100015191253_100000738066 [0,0,0,1,0,0|1,0,2]=4 3544 B11R1.301 C=CCCNC(=O)CC1CC1 527a_100015191253_100000738066 [0,0,0,1,0,0|1,0,2]=4 3545 B11R1.301 CC#CCNC(=O)CC1CC1 11a_100000685387_100000738066 [0,0,0,1,0,0|1,0,2]=4 3546 B11R1.301 CC#CCNC(=O)CC1CC1 1626a_100000685387_100000738066 [0,0,0,1,0,0|1,0,2]=4 3547 B11R1.301 CC#CCNC(=O)CC1CC1 527a_100000685387_100000738066 [0,0,0,1,0,0|1,0,2]=4 3548 B11R1.301 CC/C=C/CC(=O)CC1CC1 1458a_100016274230_100000742324 [0,0,0,1,0,0|1,0,2]=4 3549 B11R1.301 CC/C=C\CC(=O)CC1CC1 1458a_100000738066_100103147603 [0,0,0,1,0,0|1,0,2]=4 3550 B11R1.301 CCC#CCC(=O)CC1CC1 1458a_100000738066_100009813939 [0,0,0,1,0,0|1,0,2]=4 3551 B11R1.301 CCCC#CC(=O)CC1CC1 1458a_200011218047_100000742324 [0,0,0,1,0,0|1,0,1]=3 3552 B11R1.301 CCCC#CC(=O)CC1CO1 1458a_200011218047_100011216344 [0,0,0,1,0,0|2,0,1]=4 3553 B11R1.301 CCCC#CC(=O)CC1CS1 1458a_200011218047_100000031435 [0,0,0,1,0,0|2,0,1]=4 3554 B11R1.301 CCCC#CC(=O)C[C@@H]1CO1 1458a_200011218047_100000745022 [0,0,0,1,0,0|2,0,1]=4 3555 B11R1.301 CCCC#CC(=O)NC1CC1 240690a_100000212008_200011218047 [0,0,0,1,0,0|2,0,1]=4 3556 B11R1.301 CCCC=CC(=O)CC1CC1 1458a_100000212230_100000742324 [0,0,0,1,0,0|1,0,1]=3 3557 B11R1.301 CCCC=CC(=O)CC1CO1 1458a_100000212230_100011216344 [0,0,0,1,0,0|2,0,1]=4 3558 B11R1.301 CCCC=CC(=O)CC1CS1 1458a_100000212230_100000031435 [0,0,0,1,0,0|2,0,1]=4 3559 B11R1.301 CCCC=CC(=O)C[C@@H]1CO1 1458a_100000212230_100000745022 [0,0,0,1,0,0|2,0,1]=4 3560 B11R1.301 CCCC=CC(=O)NC1CC1 1626a_100000212008_100000212230 [0,0,0,1,0,0|2,0,1]=4 3561 B11R1.301 CCCC=CC(=O)NC1CC1 240690a_100000212008_100000212230 [0,0,0,1,0,0|2,0,1]=4 3562 B11R1.301 CCCCCC(=O)CC1CC1 1458a_100000212188_100000742324 [0,0,0,1,0,0|1,0,0]=2 3563 B11R1.301 CCCCCC(=O)CC1CC1 1458a_100000738066_100000210326 [0,0,0,1,0,0|1,0,0]=2 3564 B11R1.301 CCCCCC(=O)CC1CO1 1458a_100000212188_100011216344 [0,0,0,1,0,0|2,0,0]=3 3565 B11R1.301 CCCCCC(=O)CC1CS1 1458a_100000212188_100000031435 [0,0,0,1,0,0|2,0,0]=3 3566 B11R1.301 CCCCCC(=O)C[C@@H]1CO1 1458a_100000212188_100000745022 [0,0,0,1,0,0|2,0,0]=3 3567 B11R1.301 CCCCCC(=O)NC1CC1 1626a_100000212008_100000212188 [0,0,0,1,0,0|2,0,0]=3 3568 B11R1.301 CCCCCC(=O)NC1CC1 240690a_100000212008_100000212188 [0,0,0,1,0,0|2,0,0]=3 3569 B11R1.301 CCCCCC(=O)NC1CC1 527a_100000212008_100000212188 [0,0,0,1,0,0|2,0,0]=3 3570 B11R1.301 CCCCCN(C)CC1CC1 2230a_100000223495_100000742324 [0,0,0,1,0,0|3,0,0]=4 3571 B11R1.301 CCCCCN(C)CC1CC1 2230a_100000741881_100000210326 [0,0,0,1,0,0|3,0,0]=4 3572 B11R1.301 CCCCCN(C)CC1CC1 269982a_100000223495_100000756562 [0,0,0,1,0,0|3,0,0]=4 3573 B11R1.301 CCCCCN(C)CC1CC1 269982a_100000741881_100000210215 [0,0,0,1,0,0|3,0,0]=4 3574 B11R1.301 CCCCNC(=O)CC1CC1 11a_100000102301_100000738066 [0,0,0,1,0,0|1,0,0]=2 3575 B11R1.301 CCCCNC(=O)CC1CC1 1626a_100000102301_100000738066 [0,0,0,1,0,0|1,0,0]=2 3576 B11R1.301 CCCCNC(=O)CC1CC1 240690a_100000102301_100000738066 [0,0,0,1,0,0|1,0,0]=2 3577 B11R1.301 CCCCNC(=O)CC1CC1 527a_100000102301_100000738066 [0,0,0,1,0,0|1,0,0]=2 3578 B11R1.301 CCCCNC(=O)NC1CC1 2708a_100000102301_100000212008 [0,0,0,1,0,0|2,0,0]=3 3579 B11R1.301 CCCCNC(=O)NC1CC1 2708a_100000212008_100000102301 [0,0,0,1,0,0|2,0,0]=3 3580 B11R1.301 CCCCNC(=O)NC1CC1 273464a_100000102301_100000212008 [0,0,0,1,0,0|2,0,0]=3 3581 B11R1.301 CCCCNC(=O)NC1CC1 273464a_100000212008_100000102301 [0,0,0,1,0,0|2,0,0]=3 3582 B11R1.301 CCCCNC(=O)NC1CC1 512a_100000212008_100000102301 [0,0,0,1,0,0|2,0,0]=3 3583 B11R1.301 CCCCNC(C)CC1CC1 270004a_100000102301_200000686933 [0,0,0,1,0,0|2,0,1]=4 3584 B11R1.301 CCCNCC(=O)NC1CC1 2230a_100000702991_100000210303 [0,0,0,1,0,0|3,0,0]=4 3585 B11R1.301 CCCNN=C(C)CC1CC1 4a_100000740057_200000686933 [0,0,0,1,0,0|3,0,0]=4 3586 B11R1.301 CCCNNC(=O)CC1CC1 22a_100000740057_100000738066 [0,0,0,1,0,0|2,0,0]=3 3587 B11R1.301 CCCNNC(=O)NC1CC1 273464a_100000212008_100000740057 [0,0,0,1,0,0|3,0,0]=4 3588 B11R1.301 CCCNNC(=O)NC1CC1 512a_100000212008_100000740057 [0,0,0,1,0,0|3,0,0]=4 3589 B11R1.301 CCCOCC(=O)CC1CC1 1458a_100000745993_100000742324 [0,0,0,1,0,0|2,0,0]=3 3590 B11R1.301 CCCOCC(=O)CC1CO1 1458a_100000745993_100011216344 [0,0,0,1,0,0|3,0,0]=4 3591 B11R1.301 CCCOCC(=O)CC1CS1 1458a_100000745993_100000031435 [0,0,0,1,0,0|3,0,0]=4 3592 B11R1.301 CCCOCC(=O)C[C@@H]1CO1 1458a_100000745993_100000745022 [0,0,0,1,0,0|3,0,0]=4 3593 B11R1.301 CCCOCC(=O)NC1CC1 1626a_100000212008_100000745993 [0,0,0,1,0,0|3,0,0]=4 3594 B11R1.301 CCCOCC(=O)NC1CC1 240690a_100000212008_100000745993 [0,0,0,1,0,0|3,0,0]=4 3595 B11R1.301 CCCOCC(=O)NC1CC1 34a_100000210258_100000182950 [0,0,0,1,0,0|3,0,0]=4 3596 B11R1.301 CCCOCC(=O)NC1CC1 527a_100000212008_100000745993 [0,0,0,1,0,0|3,0,0]=4 3597 B11R1.301 CCCSCC(=O)CC1CC1 1458a_100000217233_100000742324 [0,0,0,1,0,0|2,0,0]=3 3598 B11R1.301 CCCSCC(=O)CC1CO1 1458a_100000217233_100011216344 [0,0,0,1,0,0|3,0,0]=4 3599 B11R1.301 CCCSCC(=O)CC1CS1 1458a_100000217233_100000031435 [0,0,0,1,0,0|3,0,0]=4 3600 B11R1.301 CCCSCC(=O)C[C@@H]1CO1 1458a_100000217233_100000745022 [0,0,0,1,0,0|3,0,0]=4 3601 B11R1.301 CCCSCC(=O)NC1CC1 1626a_100000212008_100000217233 [0,0,0,1,0,0|3,0,0]=4 3602 B11R1.301 CCCSCC(=O)NC1CC1 240690a_100000212008_100000217233 [0,0,0,1,0,0|3,0,0]=4 3603 B11R1.301 CCCSCC(=O)NC1CC1 527a_100000212008_100000217233 [0,0,0,1,0,0|3,0,0]=4 3604 B11R1.301 CCCSCC(=O)NC1CC1 62a_100000182950_100000210303 [0,0,0,1,0,0|3,0,0]=4 3605 B11R1.301 CCCSCC(=O)NC1CC1 62a_100000210303_100000182950 [0,0,0,1,0,0|3,0,0]=4 3606 B11R1.301 CCNCCC(=O)NC1CC1 2230a_100015525214_100000737409 [0,0,0,1,0,0|3,0,0]=4 3607 B11R1.301 CCOC=CC(=O)CC1CC1 1458a_100016266692_100000742324 [0,0,0,1,0,0|2,0,1]=4 3608 B11R1.301 CCOCCC(=O)CC1CC1 1458a_100000738066_100011215890 [0,0,0,1,0,0|2,0,0]=3 3609 B11R1.301 CCOCCC(=O)CC1CC1 1458a_100000749530_100000742324 [0,0,0,1,0,0|2,0,0]=3 3610 B11R1.301 CCOCCC(=O)CC1CO1 1458a_100000749530_100011216344 [0,0,0,1,0,0|3,0,0]=4 3611 B11R1.301 CCOCCC(=O)CC1CS1 1458a_100000749530_100000031435 [0,0,0,1,0,0|3,0,0]=4 3612 B11R1.301 CCOCCC(=O)C[C@@H]1CO1 1458a_100000749530_100000745022 [0,0,0,1,0,0|3,0,0]=4 3613 B11R1.301 CCOCCC(=O)NC1CC1 1626a_100000212008_100000749530 [0,0,0,1,0,0|3,0,0]=4 3614 B11R1.301 CCOCCC(=O)NC1CC1 240690a_100000212008_100000749530 [0,0,0,1,0,0|3,0,0]=4 3615 B11R1.301 CCOCCC(=O)NC1CC1 34a_100121572206_100000737409 [0,0,0,1,0,0|3,0,0]=4 3616 B11R1.301 CCOCCC(=O)NC1CC1 527a_100000212008_100000749530 [0,0,0,1,0,0|3,0,0]=4 3617 B11R1.301 CCSCCC(=O)CC1CC1 1458a_100000230768_100000742324 [0,0,0,1,0,0|2,0,0]=3 3618 B11R1.301 CCSCCC(=O)CC1CC1 1458a_100000738066_100000757381 [0,0,0,1,0,0|2,0,0]=3 3619 B11R1.301 CCSCCC(=O)CC1CO1 1458a_100000230768_100011216344 [0,0,0,1,0,0|3,0,0]=4 3620 B11R1.301 CCSCCC(=O)CC1CS1 1458a_100000230768_100000031435 [0,0,0,1,0,0|3,0,0]=4 3621 B11R1.301 CCSCCC(=O)C[C@@H]1CO1 1458a_100000230768_100000745022 [0,0,0,1,0,0|3,0,0]=4 3622 B11R1.301 CCSCCC(=O)NC1CC1 1626a_100000212008_100000230768 [0,0,0,1,0,0|3,0,0]=4 3623 B11R1.301 CCSCCC(=O)NC1CC1 240690a_100000212008_100000230768 [0,0,0,1,0,0|3,0,0]=4 3624 B11R1.301 CCSCCC(=O)NC1CC1 527a_100000212008_100000230768 [0,0,0,1,0,0|3,0,0]=4 3625 B11R1.301 CCSCCC(=O)NC1CC1 62a_100000210202_100000737409 [0,0,0,1,0,0|3,0,0]=4 3626 B11R1.301 CCSCCC(=O)NC1CC1 62a_100000737409_100000210202 [0,0,0,1,0,0|3,0,0]=4 3627 B11R1.301 COCC=CC(=O)CC1CC1 1458a_100016285016_100000742324 [0,0,0,1,0,0|2,0,1]=4 3628 B11R1.301 COCCCC(=O)CC1CC1 1458a_100000738066_100000740836 [0,0,0,1,0,0|2,0,0]=3 3629 B11R1.301 COCCCC(=O)CC1CC1 1458a_100000741012_100000742324 [0,0,0,1,0,0|2,0,0]=3 3630 B11R1.301 COCCCC(=O)CC1CO1 1458a_100000741012_100011216344 [0,0,0,1,0,0|3,0,0]=4 3631 B11R1.301 COCCCC(=O)CC1CS1 1458a_100000741012_100000031435 [0,0,0,1,0,0|3,0,0]=4 3632 B11R1.301 COCCCC(=O)C[C@@H]1CO1 1458a_100000741012_100000745022 [0,0,0,1,0,0|3,0,0]=4 3633 B11R1.301 COCCCC(=O)NC1CC1 1626a_100000212008_100000741012 [0,0,0,1,0,0|3,0,0]=4 3634 B11R1.301 COCCCC(=O)NC1CC1 240690a_100000212008_100000741012 [0,0,0,1,0,0|3,0,0]=4 3635 B11R1.301 COCCCC(=O)NC1CC1 527a_100000212008_100000741012 [0,0,0,1,0,0|3,0,0]=4 3636 B11R1.301 COCCNC(=O)CC1CC1 1626a_100000209980_100000738066 [0,0,0,1,0,0|2,0,0]=3 3637 B11R1.301 COCCNC(=O)CC1CC1 240690a_100000209980_100000738066 [0,0,0,1,0,0|2,0,0]=3 3638 B11R1.301 COCCNC(=O)CC1CC1 527a_100000209980_100000738066 [0,0,0,1,0,0|2,0,0]=3 3639 B11R1.301 COCCNC(=O)NC1CC1 2708a_100000212008_100000209980 [0,0,0,1,0,0|3,0,0]=4 3640 B11R1.301 COCCNC(=O)NC1CC1 273464a_100000209980_100000212008 [0,0,0,1,0,0|3,0,0]=4 3641 B11R1.301 COCCNC(=O)NC1CC1 273464a_100000212008_100000209980 [0,0,0,1,0,0|3,0,0]=4 3642 B11R1.301 CSCCCC(=O)CC1CC1 1458a_100000173376_100000742324 [0,0,0,1,0,0|2,0,0]=3 3643 B11R1.301 CSCCCC(=O)CC1CO1 1458a_100000173376_100011216344 [0,0,0,1,0,0|3,0,0]=4 3644 B11R1.301 CSCCCC(=O)CC1CS1 1458a_100000173376_100000031435 [0,0,0,1,0,0|3,0,0]=4 3645 B11R1.301 CSCCCC(=O)C[C@@H]1CO1 1458a_100000173376_100000745022 [0,0,0,1,0,0|3,0,0]=4 3646 B11R1.301 CSCCCC(=O)NC1CC1 1626a_100000212008_100000173376 [0,0,0,1,0,0|3,0,0]=4 3647 B11R1.301 CSCCCC(=O)NC1CC1 240690a_100000212008_100000173376 [0,0,0,1,0,0|3,0,0]=4 3648 B11R1.301 CSCCCC(=O)NC1CC1 527a_100000212008_100000173376 [0,0,0,1,0,0|3,0,0]=4 3649 B11R1.301 CSCCNC(=O)CC1CC1 11a_100020590264_100000738066 [0,0,0,1,0,0|2,0,0]=3 3650 B11R1.301 CSCCNC(=O)CC1CC1 1626a_100020590264_100000738066 [0,0,0,1,0,0|2,0,0]=3 3651 B11R1.301 CSCCNC(=O)CC1CC1 240690a_100020590264_100000738066 [0,0,0,1,0,0|2,0,0]=3 3652 B11R1.301 CSCCNC(=O)CC1CC1 527a_100020590264_100000738066 [0,0,0,1,0,0|2,0,0]=3 3653 B11R1.301 CSCCNC(=O)NC1CC1 2708a_100000212008_100020590264 [0,0,0,1,0,0|3,0,0]=4 3654 B11R1.301 CSCCNC(=O)NC1CC1 2708a_100020590264_100000212008 [0,0,0,1,0,0|3,0,0]=4 3655 B11R1.301 CSCCNC(=O)NC1CC1 273464a_100000212008_100020590264 [0,0,0,1,0,0|3,0,0]=4 3656 B11R1.301 CSCCNC(=O)NC1CC1 273464a_100020590264_100000212008 [0,0,0,1,0,0|3,0,0]=4 3657 B11R1.301 CSCCNC(=O)NC1CC1 512a_100000212008_100020590264 [0,0,0,1,0,0|3,0,0]=4 3658 B11R1.301 N#CCCCC(=O)CC1CC1 1458a_100000075515_100000742324 [0,0,0,1,0,0|2,0,1]=4 3659 B11R1.301 N#CCCCC(=O)CC1CC1 1458a_100000738066_100000211468 [0,0,0,1,0,0|2,0,1]=4 3660 B11R1.301 N#CCCNC(=O)CC1CC1 11a_100000720768_100000738066 [0,0,0,1,0,0|2,0,1]=4 3661 B11R1.301 N#CCCNC(=O)CC1CC1 1626a_100000720768_100000738066 [0,0,0,1,0,0|2,0,1]=4 3662 B11R1.301 N#CCCNC(=O)CC1CC1 240690a_100000720768_100000738066 [0,0,0,1,0,0|2,0,1]=4 3663 B11R1.301 N#CCCNC(=O)CC1CC1 527a_100000720768_100000738066 [0,0,0,1,0,0|2,0,1]=4 3664 B11R1.301 O=C(CC1CC1)NCCCF 11a_100015189416_100000738066 [0,0,0,1,0,0|2,0,0]=3 3665 B11R1.301 O=C(CC1CC1)NCCCF 1626a_100015189416_100000738066 [0,0,0,1,0,0|2,0,0]=3 3666 B11R1.301 O=C(CC1CC1)NCCCF 240690a_100015189416_100000738066 [0,0,0,1,0,0|2,0,0]=3 3667 B11R1.301 O=C(CC1CC1)NCCCF 527a_100015189416_100000738066 [0,0,0,1,0,0|2,0,0]=3 3668 B11R1.301 O=C(CC1CC1)NCCCO 240690a_100000182051_100000738066 [0,0,0,1,0,0|2,0,0]=3 3669 B11R1.301 O=C(CC1CC1)NCCCO 527a_100000182051_100000738066 [0,0,0,1,0,0|2,0,0]=3 3670 B11R1.301 O=C(CC1CC1)NNCCO 22a_100000210001_100000738066 [0,0,0,1,0,0|3,0,0]=4 3671 B11R1.301 O=C(CCCCF)CC1CC1 1458a_100000738066_100000729493 [0,0,0,1,0,0|2,0,0]=3 3672 B11R1.301 O=C(CCCCO)CC1CC1 1458a_100000695505_100000742324 [0,0,0,1,0,0|2,0,0]=3 3673 B11R1.301 O=C(CCCCO)CC1CC1 1458a_100000738066_100000210776 [0,0,0,1,0,0|2,0,0]=3 3674 B11R1.301 O=C(CCCCO)CC1CO1 1458a_100000695505_100011216344 [0,0,0,1,0,0|3,0,0]=4 3675 B11R1.301 O=C(CCCCO)CC1CS1 1458a_100000695505_100000031435 [0,0,0,1,0,0|3,0,0]=4 3676 B11R1.301 O=C(CCCCO)C[C@@H]1CO1 1458a_100000695505_100000745022 [0,0,0,1,0,0|3,0,0]=4 3677 B11R1.301 O=C(CCCCO)NC1CC1 1626a_100000212008_100000695505 [0,0,0,1,0,0|3,0,0]=4 3678 B11R1.301 O=C(COCCO)CC1CC1 1458a_100000708028_100000742324 [0,0,0,1,0,0|3,0,0]=4 3679 B11R1.301 O=C(NCCCF)NC1CC1 2708a_100000212008_100015189416 [0,0,0,1,0,0|3,0,0]=4 3680 B11R1.301 O=C(NCCCF)NC1CC1 2708a_100015189416_100000212008 [0,0,0,1,0,0|3,0,0]=4 3681 B11R1.301 O=C(NCCCF)NC1CC1 273464a_100000212008_100015189416 [0,0,0,1,0,0|3,0,0]=4 3682 B11R1.301 O=C(NCCCF)NC1CC1 273464a_100015189416_100000212008 [0,0,0,1,0,0|3,0,0]=4 3683 B11R1.301 O=C(NCCCF)NC1CC1 512a_100000212008_100015189416 [0,0,0,1,0,0|3,0,0]=4 3684 B11R1.301 O=C(NCCCO)NC1CC1 2708a_100000212008_100000182051 [0,0,0,1,0,0|3,0,0]=4 3685 B11R1.301 O=C(NCCCO)NC1CC1 273464a_100000182051_100000212008 [0,0,0,1,0,0|3,0,0]=4 3686 B11R1.301 O=C(NCCCO)NC1CC1 273464a_100000212008_100000182051 [0,0,0,1,0,0|3,0,0]=4 3687 B11R1.301 O=C(NCCCO)NC1CC1 512a_100000212008_100000182051 [0,0,0,1,0,0|3,0,0]=4 3688 B11R1.484 C=C(C)CC(=O)CC1CCC1 1458a_100000763092_100000748629 [0,0,0,1,0,0|1,0,2]=4 3689 B11R1.484 CC(=CC(=O)CC1CCC1)C 1458a_100000211388_100000763275 [0,0,0,1,0,0|1,0,2]=4 3690 B11R1.484 CC(=CC(=O)NC1CCC1)C 11a_100000749019_100000211388 [0,0,0,1,0,0|1,0,2]=4 3691 B11R1.484 CC(=CC(=O)NC1CCC1)C 1626a_100000749019_100000211388 [0,0,0,1,0,0|1,0,2]=4 3692 B11R1.484 CC(=CC(=O)NC1CCC1)C 240690a_100000749019_100000211388 [0,0,0,1,0,0|1,0,2]=4 3693 B11R1.484 CC(C)CC(=O)C=C1CCC1 1458a_100000686340_100000210624 [0,0,0,1,0,0|1,0,1]=3 3694 B11R1.484 CC(C)CC(=O)CC1CCC1 1458a_100000210554_100000763275 [0,0,0,1,0,0|1,0,0]=2 3695 B11R1.484 CC(C)CC(=O)CC1CCC1 1458a_100000763092_100000210624 [0,0,0,1,0,0|1,0,0]=2 3696 B11R1.484 CC(C)CC(=O)CC1CCO1 1458a_100000210554_100000103362 [0,0,0,1,0,0|2,0,0]=3 3697 B11R1.484 CC(C)CC(=O)CC1COC1 1458a_100000210554_100010264016 [0,0,0,1,0,0|2,0,0]=3 3698 B11R1.484 CC(C)CC(=O)CC1COC1 1458a_100000687760_100000210624 [0,0,0,1,0,0|2,0,0]=3 3699 B11R1.484 CC(C)CC(=O)NC1CCC1 11a_100000749019_100000210554 [0,0,0,1,0,0|1,0,0]=2 3700 B11R1.484 CC(C)CC(=O)NC1CCC1 1626a_100000749019_100000210554 [0,0,0,1,0,0|1,0,0]=2 3701 B11R1.484 CC(C)CC(=O)NC1CCC1 240690a_100000749019_100000210554 [0,0,0,1,0,0|1,0,0]=2 3702 B11R1.484 CC(C)CC(=O)NC1CCC1 527a_100000749019_100000210554 [0,0,0,1,0,0|1,0,0]=2 3703 B11R1.484 CC(C)CC(=O)NC1COC1 11a_100016991112_100000210554 [0,0,0,1,0,0|2,0,0]=3 3704 B11R1.484 CC(C)CC(=O)NC1COC1 1626a_100016991112_100000210554 [0,0,0,1,0,0|2,0,0]=3 3705 B11R1.484 CC(C)CC(=O)NC1COC1 240690a_100016991112_100000210554 [0,0,0,1,0,0|2,0,0]=3 3706 B11R1.484 CC(C)CC(=O)NC1COC1 527a_100016991112_100000210554 [0,0,0,1,0,0|2,0,0]=3 3707 B11R1.484 CC(C)CC(=O)NC1CSC1 11a_100016994217_100000210554 [0,0,0,1,0,0|2,0,0]=3 3708 B11R1.484 CC(C)CC(=O)NC1CSC1 1626a_100016994217_100000210554 [0,0,0,1,0,0|2,0,0]=3 3709 B11R1.484 CC(C)CC(=O)NC1CSC1 240690a_100016994217_100000210554 [0,0,0,1,0,0|2,0,0]=3 3710 B11R1.484 CC(C)CC(=O)NC1CSC1 527a_100016994217_100000210554 [0,0,0,1,0,0|2,0,0]=3 3711 B11R1.484 CC(C)CC(C)NC1CCC1 2230a_100000749019_100000731052 [0,0,0,1,0,0|2,0,1]=4 3712 B11R1.484 CC(C)CC(C)NC1CCC1 270004a_100000692259_100000241760 [0,0,0,1,0,0|2,0,1]=4 3713 B11R1.484 CC(C)CC(C)NC1CCC1 34a_100000749019_100000731052 [0,0,0,1,0,0|2,0,1]=4 3714 B11R1.484 CC(C)CC(C)OC1CCC1 34a_100000211805_100000749161 [0,0,0,1,0,0|1,0,1]=3 3715 B11R1.484 CC(C)CC(C)OC1CCC1 34a_100000748187_100000731052 [0,0,0,1,0,0|1,0,1]=3 3716 B11R1.484 CC(C)CC(C)OC1COC1 34a_100000211805_100009818527 [0,0,0,1,0,0|2,0,1]=4 3717 B11R1.484 CC(C)CC(C)OC1COC1 7a_100000211805_100009818527 [0,0,0,1,0,0|2,0,1]=4 3718 B11R1.484 CC(C)CC(C)OC1CSC1 7a_100000072292_100000731052 [0,0,0,1,0,0|2,0,1]=4 3719 B11R1.484 CC(C)CC(C)SC1CCC1 62a_100000731052_100000749161 [0,0,0,1,0,0|1,1,1]=4 3720 B11R1.484 CC(C)CN(C)CC1CCC1 2230a_100000747067_100000763275 [0,0,0,1,0,0|3,0,0]=4 3721 B11R1.484 CC(C)CN(C)CC1CCC1 2230a_200000750244_100000210760 [0,0,0,1,0,0|3,0,0]=4 3722 B11R1.484 CC(C)CN(C)CC1CCC1 269982a_100000747067_100000763275 [0,0,0,1,0,0|3,0,0]=4 3723 B11R1.484 CC(C)CN(C)CC1CCC1 269982a_200000750244_100000210624 [0,0,0,1,0,0|3,0,0]=4 3724 B11R1.484 CC(C)CN(C)CC1CCC1 270004a_200000750244_100000210432 [0,0,0,1,0,0|3,0,0]=4 3725 B11R1.484 CC(C)CN(C)CC1CCC1 34a_200000750244_100000210624 [0,0,0,1,0,0|3,0,0]=4 3726 B11R1.484 CC(C)NC(=O)C=C1CCC1 11a_100138425928_100000686340 [0,0,0,1,0,0|2,0,1]=4 3727 B11R1.484 CC(C)NC(=O)C=C1CCC1 240690a_100138425928_100000686340 [0,0,0,1,0,0|2,0,1]=4 3728 B11R1.484 CC(C)NC(=O)CC1CCC1 11a_100138425928_100000763092 [0,0,0,1,0,0|2,0,0]=3 3729 B11R1.484 CC(C)NC(=O)CC1CCC1 1626a_100138425928_100000763092 [0,0,0,1,0,0|2,0,0]=3 3730 B11R1.484 CC(C)NC(=O)CC1CCC1 240690a_100138425928_100000763092 [0,0,0,1,0,0|2,0,0]=3 3731 B11R1.484 CC(C)NC(=O)CC1CCC1 527a_100138425928_100000763092 [0,0,0,1,0,0|2,0,0]=3 3732 B11R1.484 CC(C)NC(=O)CC1COC1 11a_100138425928_100000687760 [0,0,0,1,0,0|3,0,0]=4 3733 B11R1.484 CC(C)NC(=O)CC1COC1 1626a_100138425928_100000687760 [0,0,0,1,0,0|3,0,0]=4 3734 B11R1.484 CC(C)NC(=O)CN1CCC1 269982a_100000754969_100000183996 [0,0,0,1,0,0|3,0,0]=4 3735 B11R1.484 CC(C)NC(=O)NC1CCC1 2708a_100138425928_100000749019 [0,0,0,1,0,0|2,0,0]=3 3736 B11R1.484 CC(C)NC(=O)NC1CCC1 273464a_100138425928_100000749019 [0,0,0,1,0,0|2,0,0]=3 3737 B11R1.484 CC(C)NC(=O)NC1CCC1 512a_100000749019_100138425928 [0,0,0,1,0,0|2,0,0]=3 3738 B11R1.484 CC(C)NC(=O)NC1CCC1 512a_100138425928_100000749019 [0,0,0,1,0,0|2,0,0]=3 3739 B11R1.484 CC(C)NC(=O)NC1COC1 2708a_100016991112_100138425928 [0,0,0,1,0,0|3,0,0]=4 3740 B11R1.484 CC(C)NC(=O)NC1COC1 2708a_100138425928_100016991112 [0,0,0,1,0,0|3,0,0]=4 3741 B11R1.484 CC(C)NC(=O)NC1COC1 273464a_100138425928_100016991112 [0,0,0,1,0,0|3,0,0]=4 3742 B11R1.484 CC(C)NC(=O)NC1COC1 512a_100016991112_100138425928 [0,0,0,1,0,0|3,0,0]=4 3743 B11R1.484 CC(C)NC(=O)NC1COC1 512a_100138425928_100016991112 [0,0,0,1,0,0|3,0,0]=4 3744 B11R1.484 CC(C)NC(=O)NC1CSC1 2708a_100016994217_100138425928 [0,0,0,1,0,0|3,0,0]=4 3745 B11R1.484 CC(C)NC(=O)NC1CSC1 2708a_100138425928_100016994217 [0,0,0,1,0,0|3,0,0]=4 3746 B11R1.484 CC(C)NC(=O)NC1CSC1 273464a_100138425928_100016994217 [0,0,0,1,0,0|3,0,0]=4 3747 B11R1.484 CC(C)NC(=O)NC1CSC1 512a_100016994217_100138425928 [0,0,0,1,0,0|3,0,0]=4 3748 B11R1.484 CC(C)NC(=O)NC1CSC1 512a_100138425928_100016994217 [0,0,0,1,0,0|3,0,0]=4 3749 B11R1.484 CC(C)OC(=O)CN1CCC1 269982a_100000754969_100011215430 [0,0,0,1,0,0|3,0,0]=4 3750 B11R1.484 CC(O)CC(=O)C=C1CCC1 1458a_100000686340_100011218427 [0,0,0,1,0,0|2,0,1]=4 3751 B11R1.484 CC(O)CC(=O)CC1CCC1 1458a_100000763092_100011218427 [0,0,0,1,0,0|2,0,0]=3 3752 B11R1.484 CC(O)CC(=O)CC1COC1 1458a_100000687760_100011218427 [0,0,0,1,0,0|3,0,0]=4 3753 B11R1.484 CN(C)CC(=O)CC1CCC1 1458a_100000750896_100000763275 [0,0,0,1,0,0|2,0,0]=3 3754 B11R1.484 CN(C)CC(=O)CC1CCO1 1458a_100000750896_100000103362 [0,0,0,1,0,0|3,0,0]=4 3755 B11R1.484 CN(C)CC(=O)CC1COC1 1458a_100000750896_100010264016 [0,0,0,1,0,0|3,0,0]=4 3756 B11R1.484 CN(C)CC(=O)NC1CCC1 11a_100000749019_100000750896 [0,0,0,1,0,0|2,0,0]=3 3757 B11R1.484 CN(C)CC(=O)NC1CCC1 240690a_100000749019_100000750896 [0,0,0,1,0,0|2,0,0]=3 3758 B11R1.484 CN(C)CC(=O)NC1CCC1 527a_100000749019_100000750896 [0,0,0,1,0,0|2,0,0]=3 3759 B11R1.484 CN(C)CC(=O)NC1COC1 11a_100016991112_100000750896 [0,0,0,1,0,0|3,0,0]=4 3760 B11R1.484 CN(C)CC(=O)NC1COC1 240690a_100016991112_100000750896 [0,0,0,1,0,0|3,0,0]=4 3761 B11R1.484 CN(C)CC(=O)NC1COC1 527a_100016991112_100000750896 [0,0,0,1,0,0|3,0,0]=4 3762 B11R1.484 CN(C)CC(=O)NC1CSC1 11a_100016994217_100000750896 [0,0,0,1,0,0|3,0,0]=4 3763 B11R1.484 CN(C)CC(=O)NC1CSC1 240690a_100016994217_100000750896 [0,0,0,1,0,0|3,0,0]=4 3764 B11R1.484 CN(C)CC(=O)NC1CSC1 527a_100016994217_100000750896 [0,0,0,1,0,0|3,0,0]=4 3765 B11R1.484 C[C@@H](O)CC(=O)CC1CCC1 1458a_100011933948_100000763275 [0,0,0,1,0,0|2,0,0]=3 3766 B11R1.484 C[C@@H](O)CC(=O)CC1CCO1 1458a_100011933948_100000103362 [0,0,0,1,0,0|3,0,0]=4 3767 B11R1.484 C[C@@H](O)CC(=O)CC1COC1 1458a_100011933948_100010264016 [0,0,0,1,0,0|3,0,0]=4 3768 B11R1.484 C[C@@H](O)CC(=O)NC1CCC1 240690a_100000749019_100011933948 [0,0,0,1,0,0|2,0,0]=3 3769 B11R1.484 C[C@@H](O)CC(=O)NC1COC1 240690a_100016991112_100011933948 [0,0,0,1,0,0|3,0,0]=4 3770 B11R1.484 C[C@@H](O)CC(=O)NC1CSC1 240690a_100016994217_100011933948 [0,0,0,1,0,0|3,0,0]=4 3771 B11R1.484 C[S+](C)CC(=O)CC1CCC1 1458a_200159257847_100000763275 [0,0,0,1,0,0|2,0,0]=3 3772 B11R1.484 C[S+](C)CC(=O)CC1CCO1 1458a_200159257847_100000103362 [0,0,0,1,0,0|3,0,0]=4 3773 B11R1.484 C[S+](C)CC(=O)CC1COC1 1458a_200159257847_100010264016 [0,0,0,1,0,0|3,0,0]=4 3774 B11R1.484 C[S+](C)CC(=O)NC1CCC1 11a_100000749019_200159257847 [0,0,0,1,0,0|2,0,0]=3 3775 B11R1.484 C[S+](C)CC(=O)NC1CCC1 1626a_100000749019_200159257847 [0,0,0,1,0,0|2,0,0]=3 3776 B11R1.484 C[S+](C)CC(=O)NC1CCC1 240690a_100000749019_200159257847 [0,0,0,1,0,0|2,0,0]=3 3777 B11R1.484 C[S+](C)CC(=O)NC1CCC1 527a_100000749019_200159257847 [0,0,0,1,0,0|2,0,0]=3 3778 B11R1.484 C[S+](C)CC(=O)NC1COC1 11a_100016991112_200159257847 [0,0,0,1,0,0|3,0,0]=4 3779 B11R1.484 C[S+](C)CC(=O)NC1COC1 1626a_100016991112_200159257847 [0,0,0,1,0,0|3,0,0]=4 3780 B11R1.484 C[S+](C)CC(=O)NC1COC1 240690a_100016991112_200159257847 [0,0,0,1,0,0|3,0,0]=4 3781 B11R1.484 C[S+](C)CC(=O)NC1COC1 527a_100016991112_200159257847 [0,0,0,1,0,0|3,0,0]=4 3782 B11R1.484 C[S+](C)CC(=O)NC1CSC1 11a_100016994217_200159257847 [0,0,0,1,0,0|3,0,0]=4 3783 B11R1.484 C[S+](C)CC(=O)NC1CSC1 1626a_100016994217_200159257847 [0,0,0,1,0,0|3,0,0]=4 3784 B11R1.484 C[S+](C)CC(=O)NC1CSC1 240690a_100016994217_200159257847 [0,0,0,1,0,0|3,0,0]=4 3785 B11R1.484 C[S+](C)CC(=O)NC1CSC1 527a_100016994217_200159257847 [0,0,0,1,0,0|3,0,0]=4 3786 B11R1.484 O=C(CC(F)F)CC1CCC1 1458a_100000763092_100011934356 [0,0,0,1,0,0|3,0,0]=4 3787 B11R1.485 C=C(C)CC(=O)CCC1CC1 1458a_100000756386_100000748629 [0,0,0,1,0,0|1,0,2]=4 3788 B11R1.485 CC(=CC(=O)CCC1CC1)C 1458a_100000211388_100000694398 [0,0,0,1,0,0|1,0,2]=4 3789 B11R1.485 CC(=CC(=O)NCC1CC1)C 11a_100000735609_100000211388 [0,0,0,1,0,0|1,0,2]=4 3790 B11R1.485 CC(=CC(=O)NCC1CC1)C 1626a_100000735609_100000211388 [0,0,0,1,0,0|1,0,2]=4 3791 B11R1.485 CC(=CC(=O)NCC1CC1)C 240690a_100000735609_100000211388 [0,0,0,1,0,0|1,0,2]=4 3792 B11R1.485 CC(C)CC(=O)C=CC1CC1 1458a_100102529529_100000210624 [0,0,0,1,0,0|1,0,1]=3 3793 B11R1.485 CC(C)CC(=O)CCC1CC1 1458a_100000210554_100000694398 [0,0,0,1,0,0|1,0,0]=2 3794 B11R1.485 CC(C)CC(=O)CCC1CC1 1458a_100000756386_100000210624 [0,0,0,1,0,0|1,0,0]=2 3795 B11R1.485 CC(C)CC(=O)CCC1CO1 1458a_100000210554_100000732470 [0,0,0,1,0,0|2,0,0]=3 3796 B11R1.485 CC(C)CC(=O)NCC1CC1 11a_100000735609_100000210554 [0,0,0,1,0,0|1,0,0]=2 3797 B11R1.485 CC(C)CC(=O)NCC1CC1 1626a_100000735609_100000210554 [0,0,0,1,0,0|1,0,0]=2 3798 B11R1.485 CC(C)CC(=O)NCC1CC1 240690a_100000735609_100000210554 [0,0,0,1,0,0|1,0,0]=2 3799 B11R1.485 CC(C)CC(=O)NCC1CC1 527a_100000735609_100000210554 [0,0,0,1,0,0|1,0,0]=2 3800 B11R1.485 CC(C)CC(=O)NNC1CC1 22a_100000701032_100000210554 [0,0,0,1,0,0|2,0,0]=3 3801 B11R1.485 CC(C)CC(C)NCC1CC1 2230a_100000692259_100000742324 [0,0,0,1,0,0|2,0,1]=4 3802 B11R1.485 CC(C)CC(C)NCC1CC1 2230a_100000735609_100000731052 [0,0,0,1,0,0|2,0,1]=4 3803 B11R1.485 CC(C)CC(C)NCC1CC1 269862a_100000692259_100000741477 [0,0,0,1,0,0|2,0,1]=4 3804 B11R1.485 CC(C)CC(C)NCC1CC1 34a_100000735609_100000731052 [0,0,0,1,0,0|2,0,1]=4 3805 B11R1.485 CC(C)CC(C)OCC1CC1 34a_100000211283_100000731052 [0,0,0,1,0,0|1,0,1]=3 3806 B11R1.485 CC(C)CC(C)OCC1CC1 34a_100000211805_100000742324 [0,0,0,1,0,0|1,0,1]=3 3807 B11R1.485 CC(C)CC(C)OCC1CC1 7a_100000211805_100000742324 [0,0,0,1,0,0|1,0,1]=3 3808 B11R1.485 CC(C)CC(C)OCC1CO1 34a_100000211805_102125554688 [0,0,0,1,0,0|2,0,1]=4 3809 B11R1.485 CC(C)CC(C)OCC1CO1 7a_100000211805_102125554688 [0,0,0,1,0,0|2,0,1]=4 3810 B11R1.485 CC(C)CC(C)OCC1CS1 7a_100000211805_100000031435 [0,0,0,1,0,0|2,0,1]=4 3811 B11R1.485 CC(C)CC(C)OC[C@@H]1CO1 34a_100000757423_100000731052 [0,0,0,1,0,0|2,0,1]=4 3812 B11R1.485 CC(C)CC(C)OC[C@@H]1CO1 7a_100000211805_100000745022 [0,0,0,1,0,0|2,0,1]=4 3813 B11R1.485 CC(C)CC(C)SCC1CC1 62a_100000731052_100000742324 [0,0,0,1,0,0|1,1,1]=4 3814 B11R1.485 CC(C)CC(C)SCC1CC1 62a_100000756562_100000731052 [0,0,0,1,0,0|1,1,1]=4 3815 B11R1.485 CC(C)CN(C)CCC1CC1 2230a_100000747067_100000694398 [0,0,0,1,0,0|3,0,0]=4 3816 B11R1.485 CC(C)CN(C)CCC1CC1 269982a_100000747067_100000694398 [0,0,0,1,0,0|3,0,0]=4 3817 B11R1.485 CC(C)NC(=O)C=CC1CC1 11a_100138425928_100102529529 [0,0,0,1,0,0|2,0,1]=4 3818 B11R1.485 CC(C)NC(=O)C=CC1CC1 1626a_100138425928_100102529529 [0,0,0,1,0,0|2,0,1]=4 3819 B11R1.485 CC(C)NC(=O)C=CC1CC1 240690a_100138425928_100102529529 [0,0,0,1,0,0|2,0,1]=4 3820 B11R1.485 CC(C)NC(=O)CCC1CC1 11a_100138425928_100000756386 [0,0,0,1,0,0|2,0,0]=3 3821 B11R1.485 CC(C)NC(=O)CCC1CC1 1626a_100138425928_100000756386 [0,0,0,1,0,0|2,0,0]=3 3822 B11R1.485 CC(C)NC(=O)CCC1CC1 240690a_100138425928_100000756386 [0,0,0,1,0,0|2,0,0]=3 3823 B11R1.485 CC(C)NC(=O)CCC1CC1 527a_100138425928_100000756386 [0,0,0,1,0,0|2,0,0]=3 3824 B11R1.485 CC(C)NC(=O)CNC1CC1 34a_100000212008_100000183996 [0,0,0,1,0,0|3,0,0]=4 3825 B11R1.485 CC(C)NC(=O)CSC1CC1 62a_100000183996_100000211595 [0,0,0,1,0,0|3,0,0]=4 3826 B11R1.485 CC(C)NC(=O)NCC1CC1 2708a_100000735609_100138425928 [0,0,0,1,0,0|2,0,0]=3 3827 B11R1.485 CC(C)NC(=O)NCC1CC1 2708a_100138425928_100000735609 [0,0,0,1,0,0|2,0,0]=3 3828 B11R1.485 CC(C)NC(=O)NCC1CC1 273464a_100138425928_100000735609 [0,0,0,1,0,0|2,0,0]=3 3829 B11R1.485 CC(C)NC(=O)NCC1CC1 512a_100000735609_100138425928 [0,0,0,1,0,0|2,0,0]=3 3830 B11R1.485 CC(C)NC(=O)NCC1CC1 512a_100138425928_100000735609 [0,0,0,1,0,0|2,0,0]=3 3831 B11R1.485 CC(C)NC(=O)NNC1CC1 273464a_100138425928_100000701032 [0,0,0,1,0,0|3,0,0]=4 3832 B11R1.485 CC(C)NC(=O)NNC1CC1 512a_100000701032_100138425928 [0,0,0,1,0,0|3,0,0]=4 3833 B11R1.485 CC(C)NC(=O)NNC1CC1 512a_100138425928_100000701032 [0,0,0,1,0,0|3,0,0]=4 3834 B11R1.485 CC(C)OC(=O)CNC1CC1 34a_100000212008_100011215430 [0,0,0,1,0,0|3,0,0]=4 3835 B11R1.485 CC(C)OC(=O)CSC1CC1 62a_100011215430_100000211595 [0,0,0,1,0,0|3,0,0]=4 3836 B11R1.485 CC(O)CC(=O)C=CC1CC1 1458a_100102529529_100011218427 [0,0,0,1,0,0|2,0,1]=4 3837 B11R1.485 CC(O)CC(=O)CCC1CC1 1458a_100000756386_100011218427 [0,0,0,1,0,0|2,0,0]=3 3838 B11R1.485 CN(C)CC(=O)CCC1CC1 1458a_100000750896_100000694398 [0,0,0,1,0,0|2,0,0]=3 3839 B11R1.485 CN(C)CC(=O)CCC1CO1 1458a_100000750896_100000732470 [0,0,0,1,0,0|3,0,0]=4 3840 B11R1.485 CN(C)CC(=O)NCC1CC1 11a_100000735609_100000750896 [0,0,0,1,0,0|2,0,0]=3 3841 B11R1.485 CN(C)CC(=O)NCC1CC1 240690a_100000735609_100000750896 [0,0,0,1,0,0|2,0,0]=3 3842 B11R1.485 CN(C)CC(=O)NCC1CC1 527a_100000735609_100000750896 [0,0,0,1,0,0|2,0,0]=3 3843 B11R1.485 CN(C)CC(=O)NNC1CC1 22a_100000701032_100000750896 [0,0,0,1,0,0|3,0,0]=4 3844 B11R1.485 C[C@@H](O)CC(=O)CCC1CC1 1458a_100011933948_100000694398 [0,0,0,1,0,0|2,0,0]=3 3845 B11R1.485 C[C@@H](O)CC(=O)CCC1CO1 1458a_100011933948_100000732470 [0,0,0,1,0,0|3,0,0]=4 3846 B11R1.485 C[C@@H](O)CC(=O)NCC1CC1 240690a_100000735609_100011933948 [0,0,0,1,0,0|2,0,0]=3 3847 B11R1.485 C[C@@H](O)CC(=O)NNC1CC1 22a_100000701032_100011933948 [0,0,0,1,0,0|3,0,0]=4 3848 B11R1.485 C[S+](C)CC(=O)CCC1CC1 1458a_200159257847_100000694398 [0,0,0,1,0,0|2,0,0]=3 3849 B11R1.485 C[S+](C)CC(=O)CCC1CO1 1458a_200159257847_100000732470 [0,0,0,1,0,0|3,0,0]=4 3850 B11R1.485 C[S+](C)CC(=O)NCC1CC1 11a_100000735609_200159257847 [0,0,0,1,0,0|2,0,0]=3 3851 B11R1.485 C[S+](C)CC(=O)NCC1CC1 1626a_100000735609_200159257847 [0,0,0,1,0,0|2,0,0]=3 3852 B11R1.485 C[S+](C)CC(=O)NCC1CC1 240690a_100000735609_200159257847 [0,0,0,1,0,0|2,0,0]=3 3853 B11R1.485 C[S+](C)CC(=O)NCC1CC1 527a_100000735609_200159257847 [0,0,0,1,0,0|2,0,0]=3 3854 B11R1.485 C[S+](C)CC(=O)NNC1CC1 22a_100000701032_200159257847 [0,0,0,1,0,0|3,0,0]=4 3855 B11R1.485 O=C(CCC1CC1)CC(F)F 1458a_100000756386_100011934356 [0,0,0,1,0,0|3,0,0]=4 3856 B11R1.742 CC(C)CN1CCCCCC1 2230a_100000185865_100000210760 [0,0,0,1,0,0|3,0,0]=4 3857 B11R1.742 CC(C)CN1CCCCCC1 269982a_100000185865_100000210624 [0,0,0,1,0,0|3,0,0]=4 3858 B11R1.742 CC(C)CN1CCCCCC1 270004a_100000185865_100000210432 [0,0,0,1,0,0|3,0,0]=4 3859 B11R1.742 CC(C)CN1CCCCCC1 34a_100000185865_100000210624 [0,0,0,1,0,0|3,0,0]=4 3860 B11R1.758 CCCCCN1CC(C1)(C)C 2230a_100000753659_100000210326 [0,0,0,1,0,0|3,0,0]=4 3861 B11R1.758 CCCCCN1CC(C1)(C)C 269982a_100000753659_100000210215 [0,0,0,1,0,0|3,0,0]=4 3862 B11R1.1034 C#CCCCC(=O)C1CC1C 1458a_100000211227_100000731252 [0,0,0,1,0,0|1,0,2]=4 3863 B11R1.1034 C#CCCNC(=O)C1CC1C 11a_100000755551_100000211227 [0,0,0,1,0,0|1,0,2]=4 3864 B11R1.1034 C#CCCNC(=O)C1CC1C 1626a_100000755551_100000211227 [0,0,0,1,0,0|1,0,2]=4 3865 B11R1.1034 C#CCCNC(=O)C1CC1C 527a_100000755551_100000211227 [0,0,0,1,0,0|1,0,2]=4 3866 B11R1.1034 C=CCCCC(=O)C1CC1C 1458a_100000211227_100000757094 [0,0,0,1,0,0|1,0,2]=4 3867 B11R1.1034 C=CCCNC(=O)C1CC1C 11a_100015191253_100000211227 [0,0,0,1,0,0|1,0,2]=4 3868 B11R1.1034 C=CCCNC(=O)C1CC1C 1626a_100015191253_100000211227 [0,0,0,1,0,0|1,0,2]=4 3869 B11R1.1034 C=CCCNC(=O)C1CC1C 527a_100015191253_100000211227 [0,0,0,1,0,0|1,0,2]=4 3870 B11R1.1034 CC#CCNC(=O)C1CC1C 11a_100000685387_100000211227 [0,0,0,1,0,0|1,0,2]=4 3871 B11R1.1034 CC#CCNC(=O)C1CC1C 1626a_100000685387_100000211227 [0,0,0,1,0,0|1,0,2]=4 3872 B11R1.1034 CC#CCNC(=O)C1CC1C 527a_100000685387_100000211227 [0,0,0,1,0,0|1,0,2]=4 3873 B11R1.1034 CC/C=C\CC(=O)C1CC1C 1458a_100000211227_100103147603 [0,0,0,1,0,0|1,0,2]=4 3874 B11R1.1034 CC1CC1C(=O)CCCC#N 1458a_100000211227_100000211468 [0,0,0,1,0,0|2,0,1]=4 3875 B11R1.1034 CC1CC1C(=O)CCCCF 1458a_100000211227_100000729493 [0,0,0,1,0,0|2,0,0]=3 3876 B11R1.1034 CC1CC1C(=O)CCCCO 1458a_100000211227_100000210776 [0,0,0,1,0,0|2,0,0]=3 3877 B11R1.1034 CC1CC1C(=O)NCCC#N 11a_100000720768_100000211227 [0,0,0,1,0,0|2,0,1]=4 3878 B11R1.1034 CC1CC1C(=O)NCCC#N 1626a_100000720768_100000211227 [0,0,0,1,0,0|2,0,1]=4 3879 B11R1.1034 CC1CC1C(=O)NCCC#N 527a_100000720768_100000211227 [0,0,0,1,0,0|2,0,1]=4 3880 B11R1.1034 CC1CC1C(=O)NCCCF 11a_100015189416_100000211227 [0,0,0,1,0,0|2,0,0]=3 3881 B11R1.1034 CC1CC1C(=O)NCCCF 1626a_100015189416_100000211227 [0,0,0,1,0,0|2,0,0]=3 3882 B11R1.1034 CC1CC1C(=O)NCCCF 527a_100015189416_100000211227 [0,0,0,1,0,0|2,0,0]=3 3883 B11R1.1034 CC1CC1C(=O)NCCCO 527a_100000182051_100000211227 [0,0,0,1,0,0|2,0,0]=3 3884 B11R1.1034 CC1CC1C(=O)NNCCO 22a_100000210001_100000211227 [0,0,0,1,0,0|3,0,0]=4 3885 B11R1.1034 CCC#CCC(=O)C1CC1C 1458a_100000211227_100009813939 [0,0,0,1,0,0|1,0,2]=4 3886 B11R1.1034 CCC=NNC(=O)C1CC1C 4a_100000189827_100000210100 [0,0,0,1,0,0|2,0,1]=4 3887 B11R1.1034 CCCCCC(=O)C1CC1C 1458a_100000211227_100000210326 [0,0,0,1,0,0|1,0,0]=2 3888 B11R1.1034 CCCCCC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100000210326 [0,0,0,1,0,0|2,0,0]=3 3889 B11R1.1034 CCCCNC(=O)C1CC1C 11a_100000102301_100000211227 [0,0,0,1,0,0|1,0,0]=2 3890 B11R1.1034 CCCCNC(=O)C1CC1C 1626a_100000102301_100000211227 [0,0,0,1,0,0|1,0,0]=2 3891 B11R1.1034 CCCCNC(=O)C1CC1C 527a_100000102301_100000211227 [0,0,0,1,0,0|1,0,0]=2 3892 B11R1.1034 CCCCNC(=O)[C@@H]1C[C@@H]1F 11a_100000102301_100015396687 [0,0,0,1,0,0|2,0,0]=3 3893 B11R1.1034 CCCCNC(=O)[C@@H]1C[C@@H]1F 240690a_100000102301_100015396687 [0,0,0,1,0,0|2,0,0]=3 3894 B11R1.1034 CCCCNC(=O)[C@@H]1C[C@@H]1F 527a_100000102301_100015396687 [0,0,0,1,0,0|2,0,0]=3 3895 B11R1.1034 CCCNNC(=O)C1CC1C 22a_100000740057_100000211227 [0,0,0,1,0,0|2,0,0]=3 3896 B11R1.1034 CCCNNC(=O)[C@@H]1C[C@@H]1F 22a_100000740057_100015396687 [0,0,0,1,0,0|3,0,0]=4 3897 B11R1.1034 CCOCCC(=O)C1CC1C 1458a_100000211227_100011215890 [0,0,0,1,0,0|2,0,0]=3 3898 B11R1.1034 CCOCCC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100011215890 [0,0,0,1,0,0|3,0,0]=4 3899 B11R1.1034 CCSCCC(=O)C1CC1C 1458a_100000211227_100000757381 [0,0,0,1,0,0|2,0,0]=3 3900 B11R1.1034 CCSCCC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100000757381 [0,0,0,1,0,0|3,0,0]=4 3901 B11R1.1034 COCCCC(=O)C1CC1C 1458a_100000211227_100000740836 [0,0,0,1,0,0|2,0,0]=3 3902 B11R1.1034 COCCCC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100000740836 [0,0,0,1,0,0|3,0,0]=4 3903 B11R1.1034 COCCNC(=O)C1CC1C 1626a_100000209980_100000211227 [0,0,0,1,0,0|2,0,0]=3 3904 B11R1.1034 COCCNC(=O)C1CC1C 527a_100000209980_100000211227 [0,0,0,1,0,0|2,0,0]=3 3905 B11R1.1034 COCCNC(=O)[C@@H]1C[C@@H]1F 240690a_100000209980_100015396687 [0,0,0,1,0,0|3,0,0]=4 3906 B11R1.1034 COCCNC(=O)[C@@H]1C[C@@H]1F 527a_100000209980_100015396687 [0,0,0,1,0,0|3,0,0]=4 3907 B11R1.1034 CSCCNC(=O)C1CC1C 11a_100020590264_100000211227 [0,0,0,1,0,0|2,0,0]=3 3908 B11R1.1034 CSCCNC(=O)C1CC1C 1626a_100020590264_100000211227 [0,0,0,1,0,0|2,0,0]=3 3909 B11R1.1034 CSCCNC(=O)C1CC1C 527a_100020590264_100000211227 [0,0,0,1,0,0|2,0,0]=3 3910 B11R1.1034 CSCCNC(=O)[C@@H]1C[C@@H]1F 11a_100020590264_100015396687 [0,0,0,1,0,0|3,0,0]=4 3911 B11R1.1034 CSCCNC(=O)[C@@H]1C[C@@H]1F 240690a_100020590264_100015396687 [0,0,0,1,0,0|3,0,0]=4 3912 B11R1.1034 CSCCNC(=O)[C@@H]1C[C@@H]1F 527a_100020590264_100015396687 [0,0,0,1,0,0|3,0,0]=4 3913 B11R1.1034 O=C(CCCCF)[C@@H]1C[C@@H]1F 1458a_100015396687_100000729493 [0,0,0,1,0,0|3,0,0]=4 3914 B11R1.1034 O=C(CCCCO)[C@@H]1C[C@@H]1F 1458a_100015396687_100000210776 [0,0,0,1,0,0|3,0,0]=4 3915 B11R1.1034 O=C(NCCCF)[C@@H]1C[C@@H]1F 11a_100015189416_100015396687 [0,0,0,1,0,0|3,0,0]=4 3916 B11R1.1034 O=C(NCCCF)[C@@H]1C[C@@H]1F 240690a_100015189416_100015396687 [0,0,0,1,0,0|3,0,0]=4 3917 B11R1.1034 O=C(NCCCF)[C@@H]1C[C@@H]1F 527a_100015189416_100015396687 [0,0,0,1,0,0|3,0,0]=4 3918 B11R1.1034 O=C(NCCCO)[C@@H]1C[C@@H]1F 240690a_100000182051_100015396687 [0,0,0,1,0,0|3,0,0]=4 3919 B11R1.1034 O=C(NCCCO)[C@@H]1C[C@@H]1F 527a_100000182051_100015396687 [0,0,0,1,0,0|3,0,0]=4 3920 B9R0.47 C#CCCCC(=O)C(C)C 1458a_100000210198_100000731252 [0,0,0,0,1,0|1,0,2]=4 3921 B9R0.47 C#CCCCC(=O)C(C)C 1458a_100000690238_100000210206 [0,0,0,0,1,0|1,0,2]=4 3922 B9R0.47 C#CCCNC(=O)C(C)C 11a_100000755551_100000210198 [0,0,0,0,1,0|1,0,2]=4 3923 B9R0.47 C#CCCNC(=O)C(C)C 1626a_100000755551_100000210198 [0,0,0,0,1,0|1,0,2]=4 3924 B9R0.47 C#CCCNC(=O)C(C)C 240690a_100000755551_100000210198 [0,0,0,0,1,0|1,0,2]=4 3925 B9R0.47 C#CCCNC(=O)C(C)C 527a_100000755551_100000210198 [0,0,0,0,1,0|1,0,2]=4 3926 B9R0.47 C=C(C)C(=O)CCCCC 1458a_100000185857_100000210326 [0,0,0,0,1,0|1,0,2]=4 3927 B9R0.47 C=C(C)C(=O)NCCCC 11a_100000102301_100000185857 [0,0,0,0,1,0|1,0,2]=4 3928 B9R0.47 C=C(C)C(=O)NCCCC 1626a_100000102301_100000185857 [0,0,0,0,1,0|1,0,2]=4 3929 B9R0.47 C=C(C)C(=O)OCCNC 2230a_106832991635_100009816335 [0,0,0,0,1,0|1,0,2]=4 3930 B9R0.47 C=C(C)C(=O)OCCNC 34a_100102657272_100009816335 [0,0,0,0,1,0|1,0,2]=4 3931 B9R0.47 C=C(C)C(=O)OCCNC 7a_106832991635_100009816335 [0,0,0,0,1,0|1,0,2]=4 3932 B9R0.47 C=C(C)C(=O)OCCOC 34a_100138415774_100009816335 [0,0,0,0,1,0|1,0,2]=4 3933 B9R0.47 C=C(C)C(=O)OCCSC 62a_100009816335_200000210301 [0,0,0,0,1,0|1,0,2]=4 3934 B9R0.47 C=C(C)C(=O)OCCSC 62a_200000210301_100009816335 [0,0,0,0,1,0|1,0,2]=4 3935 B9R0.47 C=C(C)C(=O)OCCS[13CH3] 62a_100009816335_200025704644 [0,0,0,0,1,0|1,0,2]=4 3936 B9R0.47 C=C(C)C(=O)OCCS[13CH3] 62a_200025704644_100009816335 [0,0,0,0,1,0|1,0,2]=4 3937 B9R0.47 C=CCCCC(=O)C(C)C 1458a_100000210198_100000757094 [0,0,0,0,1,0|1,0,2]=4 3938 B9R0.47 C=CCCCC(=O)C(C)C 1458a_100000766728_100000210206 [0,0,0,0,1,0|1,0,2]=4 3939 B9R0.47 C=CCCNC(=O)C(C)C 11a_100015191253_100000210198 [0,0,0,0,1,0|1,0,2]=4 3940 B9R0.47 C=CCCNC(=O)C(C)C 1626a_100015191253_100000210198 [0,0,0,0,1,0|1,0,2]=4 3941 B9R0.47 C=CCCNC(=O)C(C)C 240690a_100015191253_100000210198 [0,0,0,0,1,0|1,0,2]=4 3942 B9R0.47 C=CCCNC(=O)C(C)C 527a_100015191253_100000210198 [0,0,0,0,1,0|1,0,2]=4 3943 B9R0.47 CC#CCNC(=O)C(C)C 11a_100000685387_100000210198 [0,0,0,0,1,0|1,0,2]=4 3944 B9R0.47 CC#CCNC(=O)C(C)C 1626a_100000685387_100000210198 [0,0,0,0,1,0|1,0,2]=4 3945 B9R0.47 CC#CCNC(=O)C(C)C 527a_100000685387_100000210198 [0,0,0,0,1,0|1,0,2]=4 3946 B9R0.47 CC(C)C(=O)CCCC#N 1458a_100000075515_100000210206 [0,0,0,0,1,0|2,0,1]=4 3947 B9R0.47 CC(C)C(=O)CCCC#N 1458a_100000210198_100000211468 [0,0,0,0,1,0|2,0,1]=4 3948 B9R0.47 CC(C)C(=O)CCCCF 1458a_100000210198_100000729493 [0,0,0,0,1,0|2,0,0]=3 3949 B9R0.47 CC(C)C(=O)CCCCO 1458a_100000210198_100000210776 [0,0,0,0,1,0|2,0,0]=3 3950 B9R0.47 CC(C)C(=O)CCCCO 1458a_100000695505_100000210206 [0,0,0,0,1,0|2,0,0]=3 3951 B9R0.47 CC(C)C(=O)CNCCF 34a_100000724931_100000753385 [0,0,0,0,1,0|3,0,0]=4 3952 B9R0.47 CC(C)C(=O)CNCCO 2230a_100016997473_100000753385 [0,0,0,0,1,0|3,0,0]=4 3953 B9R0.47 CC(C)C(=O)CNCCO 34a_100016990907_100000753385 [0,0,0,0,1,0|3,0,0]=4 3954 B9R0.47 CC(C)C(=O)COCCBr 34a_100000211926_100000753385 [0,0,0,0,1,0|3,0,0]=4 3955 B9R0.47 CC(C)C(=O)COCCN 34a_100000210304_100000753385 [0,0,0,0,1,0|3,0,0]=4 3956 B9R0.47 CC(C)C(=O)COCCO 1458a_100000708028_100000210206 [0,0,0,0,1,0|3,0,0]=4 3957 B9R0.47 CC(C)C(=O)CSCCF 62a_100000753385_100011217306 [0,0,0,0,1,0|3,0,0]=4 3958 B9R0.47 CC(C)C(=O)CSCCF 62a_100011217306_100000753385 [0,0,0,0,1,0|3,0,0]=4 3959 B9R0.47 CC(C)C(=O)CSCCO 62a_100000211926_100000753385 [0,0,0,0,1,0|3,0,0]=4 3960 B9R0.47 CC(C)C(=O)CSCCO 62a_100000753385_100000211926 [0,0,0,0,1,0|3,0,0]=4 3961 B9R0.47 CC(C)C(=O)NCCC#N 11a_100000720768_100000210198 [0,0,0,0,1,0|2,0,1]=4 3962 B9R0.47 CC(C)C(=O)NCCC#N 1626a_100000720768_100000210198 [0,0,0,0,1,0|2,0,1]=4 3963 B9R0.47 CC(C)C(=O)NCCC#N 240690a_100000720768_100000210198 [0,0,0,0,1,0|2,0,1]=4 3964 B9R0.47 CC(C)C(=O)NCCC#N 527a_100000720768_100000210198 [0,0,0,0,1,0|2,0,1]=4 3965 B9R0.47 CC(C)C(=O)NCCCF 11a_100015189416_100000210198 [0,0,0,0,1,0|2,0,0]=3 3966 B9R0.47 CC(C)C(=O)NCCCF 1626a_100015189416_100000210198 [0,0,0,0,1,0|2,0,0]=3 3967 B9R0.47 CC(C)C(=O)NCCCF 240690a_100015189416_100000210198 [0,0,0,0,1,0|2,0,0]=3 3968 B9R0.47 CC(C)C(=O)NCCCF 527a_100015189416_100000210198 [0,0,0,0,1,0|2,0,0]=3 3969 B9R0.47 CC(C)C(=O)NCCCO 240690a_100000182051_100000210198 [0,0,0,0,1,0|2,0,0]=3 3970 B9R0.47 CC(C)C(=O)NCCCO 527a_100000182051_100000210198 [0,0,0,0,1,0|2,0,0]=3 3971 B9R0.47 CC(C)C(=O)NCCN[13CH3] 2230a_100000752568_200025704644 [0,0,0,0,1,0|2,0,0]=3 3972 B9R0.47 CC(C)C(=O)NCCN[13CH3] 34a_100000752568_200025704644 [0,0,0,0,1,0|2,0,0]=3 3973 B9R0.47 CC(C)C(=O)NNCCO 22a_100000210001_100000210198 [0,0,0,0,1,0|3,0,0]=4 3974 B9R0.47 CC(C)C(=O)OCSCF 62a_100000139345_100015361967 [0,0,0,0,1,0|2,0,0]=3 3975 B9R0.47 CC(C)C(=O)OCSCF 62a_100015361967_100000139345 [0,0,0,0,1,0|2,0,0]=3 3976 B9R0.47 CC(C)C(C)OCCCF 7a_100000748068_100011934791 [0,0,0,0,1,0|2,0,1]=4 3977 B9R0.47 CC(C)C(C)OCCCO 7a_100000748068_100011215043 [0,0,0,0,1,0|2,0,1]=4 3978 B9R0.47 CC(F)C(=O)CCCCF 1458a_100000062450_100000729493 [0,0,0,0,1,0|3,0,0]=4 3979 B9R0.47 CC(F)C(=O)CCCCO 1458a_100000062450_100000210776 [0,0,0,0,1,0|3,0,0]=4 3980 B9R0.47 CC(F)C(=O)NCCCF 11a_100015189416_100000062450 [0,0,0,0,1,0|3,0,0]=4 3981 B9R0.47 CC(F)C(=O)NCCCF 1626a_100015189416_100000062450 [0,0,0,0,1,0|3,0,0]=4 3982 B9R0.47 CC(F)C(=O)NCCCF 240690a_100015189416_100000062450 [0,0,0,0,1,0|3,0,0]=4 3983 B9R0.47 CC(F)C(=O)NCCCF 527a_100015189416_100000062450 [0,0,0,0,1,0|3,0,0]=4 3984 B9R0.47 CC(F)C(=O)NCCCO 240690a_100000182051_100000062450 [0,0,0,0,1,0|3,0,0]=4 3985 B9R0.47 CC(F)C(=O)NCCCO 527a_100000182051_100000062450 [0,0,0,0,1,0|3,0,0]=4 3986 B9R0.47 CC/C=C/CC(=O)C(C)C 1458a_100016274230_100000210206 [0,0,0,0,1,0|1,0,2]=4 3987 B9R0.47 CC/C=C\CC(=O)C(C)C 1458a_100000210198_100103147603 [0,0,0,0,1,0|1,0,2]=4 3988 B9R0.47 CCC#CCC(=O)C(C)C 1458a_100000210198_100009813939 [0,0,0,0,1,0|1,0,2]=4 3989 B9R0.47 CCC=NNC(=O)C(C)C 4a_100000184118_100000210100 [0,0,0,0,1,0|2,0,1]=4 3990 B9R0.47 CCCC#CC(=O)C(C)C 1458a_200011218047_100000210206 [0,0,0,0,1,0|1,0,1]=3 3991 B9R0.47 CCCC#CC(=O)N(C)C 240690a_100102631434_200011218047 [0,0,0,0,1,0|2,0,1]=4 3992 B9R0.47 CCCC=CC(=O)C(C)C 1458a_100000212230_100000210206 [0,0,0,0,1,0|1,0,1]=3 3993 B9R0.47 CCCC=CC(=O)N(C)C 11a_100102631434_100000212230 [0,0,0,0,1,0|2,0,1]=4 3994 B9R0.47 CCCC=CC(=O)N(C)C 1626a_100102631434_100000212230 [0,0,0,0,1,0|2,0,1]=4 3995 B9R0.47 CCCC=CC(=O)N(C)C 240690a_100102631434_100000212230 [0,0,0,0,1,0|2,0,1]=4 3996 B9R0.47 CCCCCC(=O)C(C)C 1458a_100000210198_100000210326 [0,0,0,0,1,0|1,0,0]=2 3997 B9R0.47 CCCCCC(=O)C(C)C 1458a_100000212188_100000210206 [0,0,0,0,1,0|1,0,0]=2 3998 B9R0.47 CCCCCC(=O)C(C)F 1458a_100000062450_100000210326 [0,0,0,0,1,0|2,0,0]=3 3999 B9R0.47 CCCCCC(=O)C(O)O 1458a_100000233687_100000210326 [0,0,0,0,1,0|3,0,0]=4 4000 B9R0.47 CCCCCC(=O)N(C)C 11a_100102631434_100000212188 [0,0,0,0,1,0|2,0,0]=3 4001 B9R0.47 CCCCCC(=O)N(C)C 1626a_100102631434_100000212188 [0,0,0,0,1,0|2,0,0]=3 4002 B9R0.47 CCCCCC(=O)N(C)C 240690a_100102631434_100000212188 [0,0,0,0,1,0|2,0,0]=3 4003 B9R0.47 CCCCCC(=O)N(C)C 527a_100102631434_100000212188 [0,0,0,0,1,0|2,0,0]=3 4004 B9R0.47 CCCCCC(=O)[C@@H](C)O 1458a_100000717761_100000210326 [0,0,0,0,1,0|2,0,0]=3 4005 B9R0.47 CCCCCC(=O)[C@H](C)O 1458a_217856618621_100000210326 [0,0,0,0,1,0|2,0,0]=3 4006 B9R0.47 CCCCCN(C)C(C)C 2230a_100000223495_100000210206 [0,0,0,0,1,0|3,0,0]=4 4007 B9R0.47 CCCCCN(C)C(C)C 2230a_100000223497_200000210301 [0,0,0,0,1,0|3,0,0]=4 4008 B9R0.47 CCCCCN(C)C(C)C 269982a_100000223495_100000210206 [0,0,0,0,1,0|3,0,0]=4 4009 B9R0.47 CCCCCN(C)C(C)C 269982a_100000223497_200000210301 [0,0,0,0,1,0|3,0,0]=4 4010 B9R0.47 CCCCCN(C)C(C)C 269982a_200000211004_100000210215 [0,0,0,0,1,0|3,0,0]=4 4011 B9R0.47 CCCCCN([13CH3])C(C)C 2230a_100000223497_200025704644 [0,0,0,0,1,0|3,0,0]=4 4012 B9R0.47 CCCCCN([13CH3])C(C)C 269982a_100000223497_200025704644 [0,0,0,0,1,0|3,0,0]=4 4013 B9R0.47 CCCCNC(=O)C(C)C 11a_100000102301_100000210198 [0,0,0,0,1,0|1,0,0]=2 4014 B9R0.47 CCCCNC(=O)C(C)C 1626a_100000102301_100000210198 [0,0,0,0,1,0|1,0,0]=2 4015 B9R0.47 CCCCNC(=O)C(C)C 240690a_100000102301_100000210198 [0,0,0,0,1,0|1,0,0]=2 4016 B9R0.47 CCCCNC(=O)C(C)C 527a_100000102301_100000210198 [0,0,0,0,1,0|1,0,0]=2 4017 B9R0.47 CCCCNC(=O)C(C)F 11a_100000102301_100000062450 [0,0,0,0,1,0|2,0,0]=3 4018 B9R0.47 CCCCNC(=O)C(C)F 1626a_100000102301_100000062450 [0,0,0,0,1,0|2,0,0]=3 4019 B9R0.47 CCCCNC(=O)C(C)F 240690a_100000102301_100000062450 [0,0,0,0,1,0|2,0,0]=3 4020 B9R0.47 CCCCNC(=O)C(C)F 527a_100000102301_100000062450 [0,0,0,0,1,0|2,0,0]=3 4021 B9R0.47 CCCCNC(=O)C(F)F 11a_100000102301_100000210393 [0,0,0,0,1,0|3,0,0]=4 4022 B9R0.47 CCCCNC(=O)C(F)F 1626a_100000102301_100000210393 [0,0,0,0,1,0|3,0,0]=4 4023 B9R0.47 CCCCNC(=O)C(F)F 240690a_100000102301_100000210393 [0,0,0,0,1,0|3,0,0]=4 4024 B9R0.47 CCCCNC(=O)C(F)F 527a_100000102301_100000210393 [0,0,0,0,1,0|3,0,0]=4 4025 B9R0.47 CCCCNC(=O)C(O)O 240690a_100000102301_100000233687 [0,0,0,0,1,0|3,0,0]=4 4026 B9R0.47 CCCCNC(=O)N(C)C 2708a_100000102301_100102631434 [0,0,0,0,1,0|2,0,0]=3 4027 B9R0.47 CCCCNC(=O)[C@@H](C)O 240690a_100000102301_100000717761 [0,0,0,0,1,0|2,0,0]=3 4028 B9R0.47 CCCCNC(=O)[C@H](C)O 1626a_100000102301_217856618621 [0,0,0,0,1,0|2,0,0]=3 4029 B9R0.47 CCCCNC(=O)[C@H](C)O 240690a_100000102301_217856618621 [0,0,0,0,1,0|2,0,0]=3 4030 B9R0.47 CCCCNC(C)C(C)C 2230a_100000211541_100000210211 [0,0,0,0,1,0|2,0,1]=4 4031 B9R0.47 CCCCOC(C)C(C)C 7a_100000748068_100000210211 [0,0,0,0,1,0|1,0,1]=3 4032 B9R0.47 CCCNCC(=O)N(C)C 2230a_100015183351_100000210303 [0,0,0,0,1,0|3,0,0]=4 4033 B9R0.47 CCCNN=C(C)C(C)C 4a_100000740057_100000211110 [0,0,0,0,1,0|3,0,0]=4 4034 B9R0.47 CCCNNC(=O)C(C)C 22a_100000740057_100000210198 [0,0,0,0,1,0|2,0,0]=3 4035 B9R0.47 CCCNNC(=O)C(C)F 22a_100000740057_100000062450 [0,0,0,0,1,0|3,0,0]=4 4036 B9R0.47 CCCNNC(=O)[C@@H](C)O 22a_100000740057_100000717761 [0,0,0,0,1,0|3,0,0]=4 4037 B9R0.47 CCCNNC(=O)[C@H](C)O 22a_100000740057_217856618621 [0,0,0,0,1,0|3,0,0]=4 4038 B9R0.47 CCCOCC(=O)C(C)C 1458a_100000745993_100000210206 [0,0,0,0,1,0|2,0,0]=3 4039 B9R0.47 CCCOCC(=O)C(C)C 34a_100000210258_100000753385 [0,0,0,0,1,0|2,0,0]=3 4040 B9R0.47 CCCOCC(=O)N(C)C 11a_100102631434_100000745993 [0,0,0,0,1,0|3,0,0]=4 4041 B9R0.47 CCCOCC(=O)N(C)C 1626a_100102631434_100000745993 [0,0,0,0,1,0|3,0,0]=4 4042 B9R0.47 CCCOCC(=O)N(C)C 240690a_100102631434_100000745993 [0,0,0,0,1,0|3,0,0]=4 4043 B9R0.47 CCCOCC(=O)N(C)C 34a_100000210258_100000692301 [0,0,0,0,1,0|3,0,0]=4 4044 B9R0.47 CCCOCC(=O)N(C)C 527a_100102631434_100000745993 [0,0,0,0,1,0|3,0,0]=4 4045 B9R0.47 CCCSCC(=O)C(C)C 1458a_100000217233_100000210206 [0,0,0,0,1,0|2,0,0]=3 4046 B9R0.47 CCCSCC(=O)C(C)C 62a_100000210303_100000753385 [0,0,0,0,1,0|2,0,0]=3 4047 B9R0.47 CCCSCC(=O)C(C)C 62a_100000753385_100000210303 [0,0,0,0,1,0|2,0,0]=3 4048 B9R0.47 CCCSCC(=O)N(C)C 11a_100102631434_100000217233 [0,0,0,0,1,0|3,0,0]=4 4049 B9R0.47 CCCSCC(=O)N(C)C 1626a_100102631434_100000217233 [0,0,0,0,1,0|3,0,0]=4 4050 B9R0.47 CCCSCC(=O)N(C)C 240690a_100102631434_100000217233 [0,0,0,0,1,0|3,0,0]=4 4051 B9R0.47 CCCSCC(=O)N(C)C 527a_100102631434_100000217233 [0,0,0,0,1,0|3,0,0]=4 4052 B9R0.47 CCCSCC(=O)N(C)C 62a_100000210303_100000692301 [0,0,0,0,1,0|3,0,0]=4 4053 B9R0.47 CCCSCC(=O)N(C)C 62a_100000692301_100000210303 [0,0,0,0,1,0|3,0,0]=4 4054 B9R0.47 CCNCCC(=O)N(C)C 2230a_100000738053_100000210202 [0,0,0,0,1,0|3,0,0]=4 4055 B9R0.47 CCNCCC(=O)N(C)C 2230a_100015525214_100000737620 [0,0,0,0,1,0|3,0,0]=4 4056 B9R0.47 CCOC=CC(=O)C(C)C 1458a_100016266692_100000210206 [0,0,0,0,1,0|2,0,1]=4 4057 B9R0.47 CCOCCC(=O)C(C)C 1458a_100000210198_100011215890 [0,0,0,0,1,0|2,0,0]=3 4058 B9R0.47 CCOCCC(=O)C(C)C 1458a_100000749530_100000210206 [0,0,0,0,1,0|2,0,0]=3 4059 B9R0.47 CCOCCC(=O)C(C)F 1458a_100000062450_100011215890 [0,0,0,0,1,0|3,0,0]=4 4060 B9R0.47 CCOCCC(=O)N(C)C 11a_100102631434_100000749530 [0,0,0,0,1,0|3,0,0]=4 4061 B9R0.47 CCOCCC(=O)N(C)C 1626a_100102631434_100000749530 [0,0,0,0,1,0|3,0,0]=4 4062 B9R0.47 CCOCCC(=O)N(C)C 240690a_100102631434_100000749530 [0,0,0,0,1,0|3,0,0]=4 4063 B9R0.47 CCOCCC(=O)N(C)C 34a_200000747469_100000210202 [0,0,0,0,1,0|3,0,0]=4 4064 B9R0.47 CCOCCC(=O)N(C)C 527a_100102631434_100000749530 [0,0,0,0,1,0|3,0,0]=4 4065 B9R0.47 CCOCCC(=O)[C@@H](C)O 1458a_100000717761_100011215890 [0,0,0,0,1,0|3,0,0]=4 4066 B9R0.47 CCOCCC(=O)[C@H](C)O 1458a_217856618621_100011215890 [0,0,0,0,1,0|3,0,0]=4 4067 B9R0.47 CCSCCC(=O)C(C)C 1458a_100000210198_100000757381 [0,0,0,0,1,0|2,0,0]=3 4068 B9R0.47 CCSCCC(=O)C(C)C 1458a_100000230768_100000210206 [0,0,0,0,1,0|2,0,0]=3 4069 B9R0.47 CCSCCC(=O)C(C)F 1458a_100000062450_100000757381 [0,0,0,0,1,0|3,0,0]=4 4070 B9R0.47 CCSCCC(=O)N(C)C 11a_100102631434_100000230768 [0,0,0,0,1,0|3,0,0]=4 4071 B9R0.47 CCSCCC(=O)N(C)C 1626a_100102631434_100000230768 [0,0,0,0,1,0|3,0,0]=4 4072 B9R0.47 CCSCCC(=O)N(C)C 240690a_100102631434_100000230768 [0,0,0,0,1,0|3,0,0]=4 4073 B9R0.47 CCSCCC(=O)N(C)C 527a_100102631434_100000230768 [0,0,0,0,1,0|3,0,0]=4 4074 B9R0.47 CCSCCC(=O)N(C)C 62a_100000210202_100000737620 [0,0,0,0,1,0|3,0,0]=4 4075 B9R0.47 CCSCCC(=O)N(C)C 62a_100000737620_100000210202 [0,0,0,0,1,0|3,0,0]=4 4076 B9R0.47 CCSCCC(=O)[C@@H](C)O 1458a_100000717761_100000757381 [0,0,0,0,1,0|3,0,0]=4 4077 B9R0.47 CCSCCC(=O)[C@H](C)O 1458a_217856618621_100000757381 [0,0,0,0,1,0|3,0,0]=4 4078 B9R0.47 CCSCOC(=O)C(C)C 62a_100000139345_100000210202 [0,0,0,0,1,0|1,0,0]=2 4079 B9R0.47 CCSCOC(=O)C(C)C 62a_100000210202_100000139345 [0,0,0,0,1,0|1,0,0]=2 4080 B9R0.47 CN(C)C(=O)CCCCO 1626a_100102631434_100000695505 [0,0,0,0,1,0|3,0,0]=4 4081 B9R0.47 CN(C)C(=O)CCCN[13CH3] 2230a_200000744827_200025704644 [0,0,0,0,1,0|3,0,0]=4 4082 B9R0.47 CN(C)C(=O)CCCS[13CH3] 62a_100000737642_200025704644 [0,0,0,0,1,0|3,0,0]=4 4083 B9R0.47 CN(C)C(=O)CCCS[13CH3] 62a_200025704644_100000737642 [0,0,0,0,1,0|3,0,0]=4 4084 B9R0.47 CN(C)C(=O)NCCCF 2708a_100015189416_100102631434 [0,0,0,0,1,0|3,0,0]=4 4085 B9R0.47 CNCCCC(=O)N(C)C 2230a_106832991635_100000737642 [0,0,0,0,1,0|3,0,0]=4 4086 B9R0.47 CNCCCC(=O)N(C)C 2230a_200000744827_200000210301 [0,0,0,0,1,0|3,0,0]=4 4087 B9R0.47 CNCCCC(=O)N(C)C 7a_106832991635_100000737642 [0,0,0,0,1,0|3,0,0]=4 4088 B9R0.47 CNCCNC(=O)C(C)C 2230a_100000752568_200000210301 [0,0,0,0,1,0|2,0,0]=3 4089 B9R0.47 CNCCNC(=O)C(C)C 34a_100000752568_200000210301 [0,0,0,0,1,0|2,0,0]=3 4090 B9R0.47 COCC=CC(=O)C(C)C 1458a_100016285016_100000210206 [0,0,0,0,1,0|2,0,1]=4 4091 B9R0.47 COCCCC(=O)C(C)C 1458a_100000210198_100000740836 [0,0,0,0,1,0|2,0,0]=3 4092 B9R0.47 COCCCC(=O)C(C)C 1458a_100000741012_100000210206 [0,0,0,0,1,0|2,0,0]=3 4093 B9R0.47 COCCCC(=O)C(C)F 1458a_100000062450_100000740836 [0,0,0,0,1,0|3,0,0]=4 4094 B9R0.47 COCCCC(=O)N(C)C 11a_100102631434_100000741012 [0,0,0,0,1,0|3,0,0]=4 4095 B9R0.47 COCCCC(=O)N(C)C 1626a_100102631434_100000741012 [0,0,0,0,1,0|3,0,0]=4 4096 B9R0.47 COCCCC(=O)N(C)C 240690a_100102631434_100000741012 [0,0,0,0,1,0|3,0,0]=4 4097 B9R0.47 COCCCC(=O)N(C)C 527a_100102631434_100000741012 [0,0,0,0,1,0|3,0,0]=4 4098 B9R0.47 COCCCC(=O)[C@@H](C)O 1458a_100000717761_100000740836 [0,0,0,0,1,0|3,0,0]=4 4099 B9R0.47 COCCCC(=O)[C@H](C)O 1458a_217856618621_100000740836 [0,0,0,0,1,0|3,0,0]=4 4100 B9R0.47 COCCNC(=O)C(C)C 1626a_100000209980_100000210198 [0,0,0,0,1,0|2,0,0]=3 4101 B9R0.47 COCCNC(=O)C(C)C 240690a_100000209980_100000210198 [0,0,0,0,1,0|2,0,0]=3 4102 B9R0.47 COCCNC(=O)C(C)C 527a_100000209980_100000210198 [0,0,0,0,1,0|2,0,0]=3 4103 B9R0.47 COCCNC(=O)C(C)F 1626a_100000209980_100000062450 [0,0,0,0,1,0|3,0,0]=4 4104 B9R0.47 COCCNC(=O)C(C)F 240690a_100000209980_100000062450 [0,0,0,0,1,0|3,0,0]=4 4105 B9R0.47 COCCNC(=O)C(C)F 527a_100000209980_100000062450 [0,0,0,0,1,0|3,0,0]=4 4106 B9R0.47 COCCNC(=O)[C@@H](C)O 240690a_100000209980_100000717761 [0,0,0,0,1,0|3,0,0]=4 4107 B9R0.47 COCCNC(=O)[C@H](C)O 1626a_100000209980_217856618621 [0,0,0,0,1,0|3,0,0]=4 4108 B9R0.47 COCCNC(=O)[C@H](C)O 240690a_100000209980_217856618621 [0,0,0,0,1,0|3,0,0]=4 4109 B9R0.47 COCCOC(C)C(C)C 7a_100000748068_100000233755 [0,0,0,0,1,0|2,0,1]=4 4110 B9R0.47 COCSCC(=O)C(C)C 62a_100000753385_100000766300 [0,0,0,0,1,0|3,0,0]=4 4111 B9R0.47 COCSCC(=O)C(C)C 62a_100000766300_100000753385 [0,0,0,0,1,0|3,0,0]=4 4112 B9R0.47 CSCCCC(=O)C(C)C 1458a_100000173376_100000210206 [0,0,0,0,1,0|2,0,0]=3 4113 B9R0.47 CSCCCC(=O)N(C)C 11a_100102631434_100000173376 [0,0,0,0,1,0|3,0,0]=4 4114 B9R0.47 CSCCCC(=O)N(C)C 1626a_100102631434_100000173376 [0,0,0,0,1,0|3,0,0]=4 4115 B9R0.47 CSCCCC(=O)N(C)C 240690a_100102631434_100000173376 [0,0,0,0,1,0|3,0,0]=4 4116 B9R0.47 CSCCCC(=O)N(C)C 527a_100102631434_100000173376 [0,0,0,0,1,0|3,0,0]=4 4117 B9R0.47 CSCCCC(=O)N(C)C 62a_100000737642_200000210301 [0,0,0,0,1,0|3,0,0]=4 4118 B9R0.47 CSCCCC(=O)N(C)C 62a_200000210301_100000737642 [0,0,0,0,1,0|3,0,0]=4 4119 B9R0.47 CSCCNC(=O)C(C)C 11a_100020590264_100000210198 [0,0,0,0,1,0|2,0,0]=3 4120 B9R0.47 CSCCNC(=O)C(C)C 1626a_100020590264_100000210198 [0,0,0,0,1,0|2,0,0]=3 4121 B9R0.47 CSCCNC(=O)C(C)C 240690a_100020590264_100000210198 [0,0,0,0,1,0|2,0,0]=3 4122 B9R0.47 CSCCNC(=O)C(C)C 527a_100020590264_100000210198 [0,0,0,0,1,0|2,0,0]=3 4123 B9R0.47 CSCCNC(=O)C(C)F 11a_100020590264_100000062450 [0,0,0,0,1,0|3,0,0]=4 4124 B9R0.47 CSCCNC(=O)C(C)F 1626a_100020590264_100000062450 [0,0,0,0,1,0|3,0,0]=4 4125 B9R0.47 CSCCNC(=O)C(C)F 240690a_100020590264_100000062450 [0,0,0,0,1,0|3,0,0]=4 4126 B9R0.47 CSCCNC(=O)C(C)F 527a_100020590264_100000062450 [0,0,0,0,1,0|3,0,0]=4 4127 B9R0.47 CSCCNC(=O)N(C)C 2708a_100020590264_100102631434 [0,0,0,0,1,0|3,0,0]=4 4128 B9R0.47 CSCCNC(=O)[C@@H](C)O 240690a_100020590264_100000717761 [0,0,0,0,1,0|3,0,0]=4 4129 B9R0.47 CSCCNC(=O)[C@H](C)O 1626a_100020590264_217856618621 [0,0,0,0,1,0|3,0,0]=4 4130 B9R0.47 CSCCNC(=O)[C@H](C)O 240690a_100020590264_217856618621 [0,0,0,0,1,0|3,0,0]=4 4131 B9R0.47 CSCCOC(C)C(C)C 7a_100000748068_100000212216 [0,0,0,0,1,0|2,0,1]=4 4132 B9R0.47 CSCSCC(=O)C(C)C 62a_100000753385_100011218213 [0,0,0,0,1,0|3,0,0]=4 4133 B9R0.47 CSCSCC(=O)C(C)C 62a_100011218213_100000753385 [0,0,0,0,1,0|3,0,0]=4 4134 B9R0.47 C[C@@H](O)C(=O)CCCCF 1458a_100000717761_100000729493 [0,0,0,0,1,0|3,0,0]=4 4135 B9R0.47 C[C@@H](O)C(=O)CCCCO 1458a_100000717761_100000210776 [0,0,0,0,1,0|3,0,0]=4 4136 B9R0.47 C[C@@H](O)C(=O)NCCCF 240690a_100015189416_100000717761 [0,0,0,0,1,0|3,0,0]=4 4137 B9R0.47 C[C@@H](O)C(=O)NCCCO 240690a_100000182051_100000717761 [0,0,0,0,1,0|3,0,0]=4 4138 B9R0.47 C[C@H](O)C(=O)CCCCF 1458a_217856618621_100000729493 [0,0,0,0,1,0|3,0,0]=4 4139 B9R0.47 C[C@H](O)C(=O)CCCCO 1458a_217856618621_100000210776 [0,0,0,0,1,0|3,0,0]=4 4140 B9R0.47 C[C@H](O)C(=O)NCCCF 1626a_100015189416_217856618621 [0,0,0,0,1,0|3,0,0]=4 4141 B9R0.47 C[C@H](O)C(=O)NCCCF 240690a_100015189416_217856618621 [0,0,0,0,1,0|3,0,0]=4 4142 B9R0.47 C[C@H](O)C(=O)NCCCO 240690a_100000182051_217856618621 [0,0,0,0,1,0|3,0,0]=4 4143 B11R0.46 C#CCCCC(=O)CCC(C)C 1458a_100000181311_100000731252 [0,0,0,0,0,1|1,0,2]=4 4144 B11R0.46 C#CCCCC(=O)CCC(C)C 1458a_100000690238_100000210312 [0,0,0,0,0,1|1,0,2]=4 4145 B11R0.46 C#CCCCC(=O)COC(C)C 1458a_100000745533_100000731252 [0,0,0,0,0,1|1,0,2]=4 4146 B11R0.46 C#CCCCC(=O)CSC(C)C 1458a_100000241585_100000731252 [0,0,0,0,0,1|1,0,2]=4 4147 B11R0.46 C#CCCCC(=O)NCC(C)C 11a_100000210953_100000690238 [0,0,0,0,0,1|1,0,2]=4 4148 B11R0.46 C#CCCCC(=O)NCC(C)C 1626a_100000210953_100000690238 [0,0,0,0,0,1|1,0,2]=4 4149 B11R0.46 C#CCCCC(=O)NCC(C)C 240690a_100000210953_100000690238 [0,0,0,0,0,1|1,0,2]=4 4150 B11R0.46 C#CCCCC(=O)NCC(C)C 527a_100000210953_100000690238 [0,0,0,0,0,1|1,0,2]=4 4151 B11R0.46 C#CCCNC(=O)CCC(C)C 11a_100000755551_100000181311 [0,0,0,0,0,1|1,0,2]=4 4152 B11R0.46 C#CCCNC(=O)CCC(C)C 1626a_100000755551_100000181311 [0,0,0,0,0,1|1,0,2]=4 4153 B11R0.46 C#CCCNC(=O)CCC(C)C 240690a_100000755551_100000181311 [0,0,0,0,0,1|1,0,2]=4 4154 B11R0.46 C#CCCNC(=O)CCC(C)C 527a_100000755551_100000181311 [0,0,0,0,0,1|1,0,2]=4 4155 B11R0.46 C#CCCNC(=O)COC(C)C 11a_100000755551_100000745533 [0,0,0,0,0,1|1,0,2]=4 4156 B11R0.46 C#CCCNC(=O)COC(C)C 1626a_100000755551_100000745533 [0,0,0,0,0,1|1,0,2]=4 4157 B11R0.46 C#CCCNC(=O)COC(C)C 240690a_100000755551_100000745533 [0,0,0,0,0,1|1,0,2]=4 4158 B11R0.46 C#CCCNC(=O)COC(C)C 527a_100000755551_100000745533 [0,0,0,0,0,1|1,0,2]=4 4159 B11R0.46 C#CCCNC(=O)CSC(C)C 11a_100000755551_100000241585 [0,0,0,0,0,1|1,0,2]=4 4160 B11R0.46 C#CCCNC(=O)CSC(C)C 1626a_100000755551_100000241585 [0,0,0,0,0,1|1,0,2]=4 4161 B11R0.46 C#CCCNC(=O)CSC(C)C 240690a_100000755551_100000241585 [0,0,0,0,0,1|1,0,2]=4 4162 B11R0.46 C#CCCNC(=O)CSC(C)C 527a_100000755551_100000241585 [0,0,0,0,0,1|1,0,2]=4 4163 B11R0.46 C#CCCNC(=O)NCC(C)C 2708a_100000210953_100000755551 [0,0,0,0,0,1|1,0,2]=4 4164 B11R0.46 C#CCCNC(=O)NCC(C)C 2708a_100000755551_100000210953 [0,0,0,0,0,1|1,0,2]=4 4165 B11R0.46 C#CCCNC(=O)NCC(C)C 273464a_100000210953_100000755551 [0,0,0,0,0,1|1,0,2]=4 4166 B11R0.46 C#CCCNC(=O)NCC(C)C 273464a_100000755551_100000210953 [0,0,0,0,0,1|1,0,2]=4 4167 B11R0.46 C#CCCNC(=O)NCC(C)C 512a_100000210953_100000755551 [0,0,0,0,0,1|1,0,2]=4 4168 B11R0.46 C#CCCNC(=O)NCC(C)C 512a_100000755551_100000210953 [0,0,0,0,0,1|1,0,2]=4 4169 B11R0.46 C=C(C)CCC(=O)CCCCC 1458a_100000212188_100000730704 [0,0,0,0,0,1|1,0,2]=4 4170 B11R0.46 C=C(C)CCC(=O)CCCCC 1458a_200000688413_100000210326 [0,0,0,0,0,1|1,0,2]=4 4171 B11R0.46 C=C(C)CCC(=O)NCCCC 11a_100000102301_200000688413 [0,0,0,0,0,1|1,0,2]=4 4172 B11R0.46 C=C(C)CCC(=O)NCCCC 1626a_100000102301_200000688413 [0,0,0,0,0,1|1,0,2]=4 4173 B11R0.46 C=C(C)CCC(=O)NCCCC 240690a_100000102301_200000688413 [0,0,0,0,0,1|1,0,2]=4 4174 B11R0.46 C=C(C)CCC(=O)NCCCC 527a_100000102301_200000688413 [0,0,0,0,0,1|1,0,2]=4 4175 B11R0.46 C=C(C)CNC(=O)CCCCC 11a_100000765925_100000212188 [0,0,0,0,0,1|1,0,2]=4 4176 B11R0.46 C=C(C)CNC(=O)CCCCC 1626a_100000765925_100000212188 [0,0,0,0,0,1|1,0,2]=4 4177 B11R0.46 C=C(C)CNC(=O)CCCCC 240690a_100000765925_100000212188 [0,0,0,0,0,1|1,0,2]=4 4178 B11R0.46 C=C(C)CNC(=O)CCCCC 527a_100000765925_100000212188 [0,0,0,0,0,1|1,0,2]=4 4179 B11R0.46 C=C(C)CNC(=O)NCCCC 2708a_100000102301_100000765925 [0,0,0,0,0,1|1,0,2]=4 4180 B11R0.46 C=C(C)CNC(=O)NCCCC 2708a_100000765925_100000102301 [0,0,0,0,0,1|1,0,2]=4 4181 B11R0.46 C=C(C)CNC(=O)NCCCC 273464a_100000102301_100000765925 [0,0,0,0,0,1|1,0,2]=4 4182 B11R0.46 C=C(C)CNC(=O)NCCCC 273464a_100000765925_100000102301 [0,0,0,0,0,1|1,0,2]=4 4183 B11R0.46 C=C(C)CNC(=O)NCCCC 512a_100000102301_100000765925 [0,0,0,0,0,1|1,0,2]=4 4184 B11R0.46 C=C(C)CNC(=O)NCCCC 512a_100000765925_100000102301 [0,0,0,0,0,1|1,0,2]=4 4185 B11R0.46 C=CCCCC(=O)CCC(C)C 1458a_100000181311_100000757094 [0,0,0,0,0,1|1,0,2]=4 4186 B11R0.46 C=CCCCC(=O)CCC(C)C 1458a_100000766728_100000210312 [0,0,0,0,0,1|1,0,2]=4 4187 B11R0.46 C=CCCCC(=O)COC(C)C 1458a_100000745533_100000757094 [0,0,0,0,0,1|1,0,2]=4 4188 B11R0.46 C=CCCCC(=O)CSC(C)C 1458a_100000241585_100000757094 [0,0,0,0,0,1|1,0,2]=4 4189 B11R0.46 C=CCCCC(=O)NCC(C)C 11a_100000210953_100000766728 [0,0,0,0,0,1|1,0,2]=4 4190 B11R0.46 C=CCCCC(=O)NCC(C)C 1626a_100000210953_100000766728 [0,0,0,0,0,1|1,0,2]=4 4191 B11R0.46 C=CCCCC(=O)NCC(C)C 240690a_100000210953_100000766728 [0,0,0,0,0,1|1,0,2]=4 4192 B11R0.46 C=CCCCC(=O)NCC(C)C 527a_100000210953_100000766728 [0,0,0,0,0,1|1,0,2]=4 4193 B11R0.46 C=CCCNC(=O)CCC(C)C 11a_100015191253_100000181311 [0,0,0,0,0,1|1,0,2]=4 4194 B11R0.46 C=CCCNC(=O)CCC(C)C 1626a_100015191253_100000181311 [0,0,0,0,0,1|1,0,2]=4 4195 B11R0.46 C=CCCNC(=O)CCC(C)C 240690a_100015191253_100000181311 [0,0,0,0,0,1|1,0,2]=4 4196 B11R0.46 C=CCCNC(=O)CCC(C)C 527a_100015191253_100000181311 [0,0,0,0,0,1|1,0,2]=4 4197 B11R0.46 C=CCCNC(=O)COC(C)C 11a_100015191253_100000745533 [0,0,0,0,0,1|1,0,2]=4 4198 B11R0.46 C=CCCNC(=O)COC(C)C 1626a_100015191253_100000745533 [0,0,0,0,0,1|1,0,2]=4 4199 B11R0.46 C=CCCNC(=O)COC(C)C 240690a_100015191253_100000745533 [0,0,0,0,0,1|1,0,2]=4 4200 B11R0.46 C=CCCNC(=O)COC(C)C 527a_100015191253_100000745533 [0,0,0,0,0,1|1,0,2]=4 4201 B11R0.46 C=CCCNC(=O)CSC(C)C 11a_100015191253_100000241585 [0,0,0,0,0,1|1,0,2]=4 4202 B11R0.46 C=CCCNC(=O)CSC(C)C 1626a_100015191253_100000241585 [0,0,0,0,0,1|1,0,2]=4 4203 B11R0.46 C=CCCNC(=O)CSC(C)C 240690a_100015191253_100000241585 [0,0,0,0,0,1|1,0,2]=4 4204 B11R0.46 C=CCCNC(=O)CSC(C)C 527a_100015191253_100000241585 [0,0,0,0,0,1|1,0,2]=4 4205 B11R0.46 C=CCCNC(=O)NCC(C)C 2708a_100000210953_100015191253 [0,0,0,0,0,1|1,0,2]=4 4206 B11R0.46 C=CCCNC(=O)NCC(C)C 2708a_100015191253_100000210953 [0,0,0,0,0,1|1,0,2]=4 4207 B11R0.46 C=CCCNC(=O)NCC(C)C 273464a_100000210953_100015191253 [0,0,0,0,0,1|1,0,2]=4 4208 B11R0.46 C=CCCNC(=O)NCC(C)C 273464a_100015191253_100000210953 [0,0,0,0,0,1|1,0,2]=4 4209 B11R0.46 C=CCCNC(=O)NCC(C)C 512a_100000210953_100015191253 [0,0,0,0,0,1|1,0,2]=4 4210 B11R0.46 C=CCCNC(=O)NCC(C)C 512a_100015191253_100000210953 [0,0,0,0,0,1|1,0,2]=4 4211 B11R0.46 CC#CCNC(=O)CCC(C)C 11a_100000685387_100000181311 [0,0,0,0,0,1|1,0,2]=4 4212 B11R0.46 CC#CCNC(=O)CCC(C)C 1626a_100000685387_100000181311 [0,0,0,0,0,1|1,0,2]=4 4213 B11R0.46 CC#CCNC(=O)CCC(C)C 527a_100000685387_100000181311 [0,0,0,0,0,1|1,0,2]=4 4214 B11R0.46 CC#CCNC(=O)COC(C)C 11a_100000685387_100000745533 [0,0,0,0,0,1|1,0,2]=4 4215 B11R0.46 CC#CCNC(=O)COC(C)C 1626a_100000685387_100000745533 [0,0,0,0,0,1|1,0,2]=4 4216 B11R0.46 CC#CCNC(=O)COC(C)C 527a_100000685387_100000745533 [0,0,0,0,0,1|1,0,2]=4 4217 B11R0.46 CC#CCNC(=O)CSC(C)C 11a_100000685387_100000241585 [0,0,0,0,0,1|1,0,2]=4 4218 B11R0.46 CC#CCNC(=O)CSC(C)C 1626a_100000685387_100000241585 [0,0,0,0,0,1|1,0,2]=4 4219 B11R0.46 CC#CCNC(=O)CSC(C)C 527a_100000685387_100000241585 [0,0,0,0,0,1|1,0,2]=4 4220 B11R0.46 CC#CCNC(=O)NCC(C)C 2708a_100000210953_100000685387 [0,0,0,0,0,1|1,0,2]=4 4221 B11R0.46 CC#CCNC(=O)NCC(C)C 273464a_100000210953_100000685387 [0,0,0,0,0,1|1,0,2]=4 4222 B11R0.46 CC#CCNC(=O)NCC(C)C 273464a_100000685387_100000210953 [0,0,0,0,0,1|1,0,2]=4 4223 B11R0.46 CC#CCNC(=O)NCC(C)C 512a_100000210953_100000685387 [0,0,0,0,0,1|1,0,2]=4 4224 B11R0.46 CC#CCNC(=O)NCC(C)C 512a_100000685387_100000210953 [0,0,0,0,0,1|1,0,2]=4 4225 B11R0.46 CC(=CCC(=O)CCCCF)C 1458a_100011220947_100000729493 [0,0,0,0,0,1|2,0,1]=4 4226 B11R0.46 CC(=CCC(=O)CCCCO)C 1458a_100000695505_100000761012 [0,0,0,0,0,1|2,0,1]=4 4227 B11R0.46 CC(=CCC(=O)CCCCO)C 1458a_100011220947_100000210776 [0,0,0,0,0,1|2,0,1]=4 4228 B11R0.46 CC(=CCC(=O)NCCCF)C 11a_100015189416_100011220947 [0,0,0,0,0,1|2,0,1]=4 4229 B11R0.46 CC(=CCC(=O)NCCCF)C 1626a_100015189416_100011220947 [0,0,0,0,0,1|2,0,1]=4 4230 B11R0.46 CC(=CCC(=O)NCCCF)C 240690a_100015189416_100011220947 [0,0,0,0,0,1|2,0,1]=4 4231 B11R0.46 CC(=CCC(=O)NCCCF)C 527a_100015189416_100011220947 [0,0,0,0,0,1|2,0,1]=4 4232 B11R0.46 CC(=CCC(=O)NCCCO)C 240690a_100000182051_100011220947 [0,0,0,0,0,1|2,0,1]=4 4233 B11R0.46 CC(=CCC(=O)NCCCO)C 527a_100000182051_100011220947 [0,0,0,0,0,1|2,0,1]=4 4234 B11R0.46 CC(C)C=CC(=O)CCCCF 1458a_100016268746_100000729493 [0,0,0,0,0,1|2,0,1]=4 4235 B11R0.46 CC(C)C=CC(=O)CCCCO 1458a_100016268746_100000210776 [0,0,0,0,0,1|2,0,1]=4 4236 B11R0.46 CC(C)C=CC(=O)NCCCF 11a_100015189416_100016268746 [0,0,0,0,0,1|2,0,1]=4 4237 B11R0.46 CC(C)C=CC(=O)NCCCF 1626a_100015189416_100016268746 [0,0,0,0,0,1|2,0,1]=4 4238 B11R0.46 CC(C)C=CC(=O)NCCCF 240690a_100015189416_100016268746 [0,0,0,0,0,1|2,0,1]=4 4239 B11R0.46 CC(C)C=CC(=O)NCCCO 240690a_100000182051_100016268746 [0,0,0,0,0,1|2,0,1]=4 4240 B11R0.46 CC(C)CCC(=O)CCCC#N 1458a_100000075515_100000210312 [0,0,0,0,0,1|2,0,1]=4 4241 B11R0.46 CC(C)CCC(=O)CCCC#N 1458a_100000181311_100000211468 [0,0,0,0,0,1|2,0,1]=4 4242 B11R0.46 CC(C)CCC(=O)CCCCF 1458a_100000181311_100000729493 [0,0,0,0,0,1|2,0,0]=3 4243 B11R0.46 CC(C)CCC(=O)CCCCO 1458a_100000181311_100000210776 [0,0,0,0,0,1|2,0,0]=3 4244 B11R0.46 CC(C)CCC(=O)CCCCO 1458a_100000695505_100000210312 [0,0,0,0,0,1|2,0,0]=3 4245 B11R0.46 CC(C)CCC(=O)COCCO 1458a_100000708028_100000210312 [0,0,0,0,0,1|3,0,0]=4 4246 B11R0.46 CC(C)CCC(=O)NCCC#N 11a_100000720768_100000181311 [0,0,0,0,0,1|2,0,1]=4 4247 B11R0.46 CC(C)CCC(=O)NCCC#N 1626a_100000720768_100000181311 [0,0,0,0,0,1|2,0,1]=4 4248 B11R0.46 CC(C)CCC(=O)NCCC#N 240690a_100000720768_100000181311 [0,0,0,0,0,1|2,0,1]=4 4249 B11R0.46 CC(C)CCC(=O)NCCC#N 527a_100000720768_100000181311 [0,0,0,0,0,1|2,0,1]=4 4250 B11R0.46 CC(C)CCC(=O)NCCCF 11a_100015189416_100000181311 [0,0,0,0,0,1|2,0,0]=3 4251 B11R0.46 CC(C)CCC(=O)NCCCF 1626a_100015189416_100000181311 [0,0,0,0,0,1|2,0,0]=3 4252 B11R0.46 CC(C)CCC(=O)NCCCF 240690a_100015189416_100000181311 [0,0,0,0,0,1|2,0,0]=3 4253 B11R0.46 CC(C)CCC(=O)NCCCF 527a_100015189416_100000181311 [0,0,0,0,0,1|2,0,0]=3 4254 B11R0.46 CC(C)CCC(=O)NCCCO 240690a_100000182051_100000181311 [0,0,0,0,0,1|2,0,0]=3 4255 B11R0.46 CC(C)CCC(=O)NCCCO 527a_100000182051_100000181311 [0,0,0,0,0,1|2,0,0]=3 4256 B11R0.46 CC(C)CCC(=O)NNCCO 22a_100000210001_100000181311 [0,0,0,0,0,1|3,0,0]=4 4257 B11R0.46 CC(C)CCC(C)OCCCBr 34a_100011217188_100011261404 [0,0,0,0,0,1|2,0,1]=4 4258 B11R0.46 CC(C)CCC(C)OCCCCl 34a_100000230001_100011261404 [0,0,0,0,0,1|2,0,1]=4 4259 B11R0.46 CC(C)CCC(C)OCCCF 34a_100000759539_100011261404 [0,0,0,0,0,1|2,0,1]=4 4260 B11R0.46 CC(C)CCC(C)OCCCF 34a_100011215350_100011934791 [0,0,0,0,0,1|2,0,1]=4 4261 B11R0.46 CC(C)CCC(C)OCCCF 7a_100011215350_100011934791 [0,0,0,0,0,1|2,0,1]=4 4262 B11R0.46 CC(C)CCC(C)OCCCN 34a_100000182051_100011261404 [0,0,0,0,0,1|2,0,1]=4 4263 B11R0.46 CC(C)CCC(C)OCCCO 34a_100011215350_100000230001 [0,0,0,0,0,1|2,0,1]=4 4264 B11R0.46 CC(C)CCC(C)OCCCO 7a_100011215350_100011215043 [0,0,0,0,0,1|2,0,1]=4 4265 B11R0.46 CC(C)CNC(=O)CCCC#N 11a_100000210953_100000075515 [0,0,0,0,0,1|2,0,1]=4 4266 B11R0.46 CC(C)CNC(=O)CCCC#N 1626a_100000210953_100000075515 [0,0,0,0,0,1|2,0,1]=4 4267 B11R0.46 CC(C)CNC(=O)CCCC#N 240690a_100000210953_100000075515 [0,0,0,0,0,1|2,0,1]=4 4268 B11R0.46 CC(C)CNC(=O)CCCC#N 527a_100000210953_100000075515 [0,0,0,0,0,1|2,0,1]=4 4269 B11R0.46 CC(C)CNC(=O)CCCCO 1626a_100000210953_100000695505 [0,0,0,0,0,1|2,0,0]=3 4270 B11R0.46 CC(C)CNC(=O)CCCS[13CH3] 62a_100011194448_200025704644 [0,0,0,0,0,1|2,0,0]=3 4271 B11R0.46 CC(C)CNC(=O)CCCS[13CH3] 62a_200025704644_100011194448 [0,0,0,0,0,1|2,0,0]=3 4272 B11R0.46 CC(C)CNC(=O)CNCCF 34a_100000724931_100000183291 [0,0,0,0,0,1|3,0,0]=4 4273 B11R0.46 CC(C)CNC(=O)CNCCO 2230a_100016997473_100000183291 [0,0,0,0,0,1|3,0,0]=4 4274 B11R0.46 CC(C)CNC(=O)CNCCO 34a_100016990907_100000183291 [0,0,0,0,0,1|3,0,0]=4 4275 B11R0.46 CC(C)CNC(=O)COCCBr 34a_100000211926_100000183291 [0,0,0,0,0,1|3,0,0]=4 4276 B11R0.46 CC(C)CNC(=O)COCCN 34a_100000210304_100000183291 [0,0,0,0,0,1|3,0,0]=4 4277 B11R0.46 CC(C)CNC(=O)COCCO 1626a_100000210953_100000708028 [0,0,0,0,0,1|3,0,0]=4 4278 B11R0.46 CC(C)CNC(=O)COCCO 240690a_100000210953_100000708028 [0,0,0,0,0,1|3,0,0]=4 4279 B11R0.46 CC(C)CNC(=O)CSCCF 62a_100000183291_100011217306 [0,0,0,0,0,1|3,0,0]=4 4280 B11R0.46 CC(C)CNC(=O)CSCCF 62a_100011217306_100000183291 [0,0,0,0,0,1|3,0,0]=4 4281 B11R0.46 CC(C)CNC(=O)CSCCO 62a_100000183291_100000211926 [0,0,0,0,0,1|3,0,0]=4 4282 B11R0.46 CC(C)CNC(=O)CSCCO 62a_100000211926_100000183291 [0,0,0,0,0,1|3,0,0]=4 4283 B11R0.46 CC(C)CNC(=O)NCCC#N 2708a_100000210953_100000720768 [0,0,0,0,0,1|2,0,1]=4 4284 B11R0.46 CC(C)CNC(=O)NCCC#N 2708a_100000720768_100000210953 [0,0,0,0,0,1|2,0,1]=4 4285 B11R0.46 CC(C)CNC(=O)NCCC#N 273464a_100000210953_100000720768 [0,0,0,0,0,1|2,0,1]=4 4286 B11R0.46 CC(C)CNC(=O)NCCC#N 273464a_100000720768_100000210953 [0,0,0,0,0,1|2,0,1]=4 4287 B11R0.46 CC(C)CNC(=O)NCCC#N 512a_100000210953_100000720768 [0,0,0,0,0,1|2,0,1]=4 4288 B11R0.46 CC(C)CNC(=O)NCCC#N 512a_100000720768_100000210953 [0,0,0,0,0,1|2,0,1]=4 4289 B11R0.46 CC(C)CNC(=O)NCCCF 2708a_100000210953_100015189416 [0,0,0,0,0,1|2,0,0]=3 4290 B11R0.46 CC(C)CNC(=O)NCCCF 2708a_100015189416_100000210953 [0,0,0,0,0,1|2,0,0]=3 4291 B11R0.46 CC(C)CNC(=O)NCCCF 273464a_100000210953_100015189416 [0,0,0,0,0,1|2,0,0]=3 4292 B11R0.46 CC(C)CNC(=O)NCCCF 273464a_100015189416_100000210953 [0,0,0,0,0,1|2,0,0]=3 4293 B11R0.46 CC(C)CNC(=O)NCCCF 512a_100000210953_100015189416 [0,0,0,0,0,1|2,0,0]=3 4294 B11R0.46 CC(C)CNC(=O)NCCCF 512a_100015189416_100000210953 [0,0,0,0,0,1|2,0,0]=3 4295 B11R0.46 CC(C)CNC(=O)NCCCO 2708a_100000210953_100000182051 [0,0,0,0,0,1|2,0,0]=3 4296 B11R0.46 CC(C)CNC(=O)NCCCO 273464a_100000182051_100000210953 [0,0,0,0,0,1|2,0,0]=3 4297 B11R0.46 CC(C)CNC(=O)NCCCO 273464a_100000210953_100000182051 [0,0,0,0,0,1|2,0,0]=3 4298 B11R0.46 CC(C)CNC(=O)NCCCO 512a_100000210953_100000182051 [0,0,0,0,0,1|2,0,0]=3 4299 B11R0.46 CC(C)CNC(=O)NNCCO 273464a_100000210953_100000210001 [0,0,0,0,0,1|3,0,0]=4 4300 B11R0.46 CC(C)CNC(=O)NNCCO 512a_100000210953_100000210001 [0,0,0,0,0,1|3,0,0]=4 4301 B11R0.46 CC(C)NNC(=O)NCCCF 273464a_100015189416_100000741168 [0,0,0,0,0,1|3,0,0]=4 4302 B11R0.46 CC(C)NNC(=O)NCCCF 512a_100000741168_100015189416 [0,0,0,0,0,1|3,0,0]=4 4303 B11R0.46 CC(C)NNC(=O)NCCCF 512a_100015189416_100000741168 [0,0,0,0,0,1|3,0,0]=4 4304 B11R0.46 CC(C)NNC(=O)NCCCO 273464a_100000182051_100000741168 [0,0,0,0,0,1|3,0,0]=4 4305 B11R0.46 CC(C)NNC(=O)NCCCO 512a_100000741168_100000182051 [0,0,0,0,0,1|3,0,0]=4 4306 B11R0.46 CC(C)OCC(=O)CCCC#N 1458a_100000745533_100000211468 [0,0,0,0,0,1|2,0,1]=4 4307 B11R0.46 CC(C)OCC(=O)CCCCF 1458a_100000745533_100000729493 [0,0,0,0,0,1|2,0,0]=3 4308 B11R0.46 CC(C)OCC(=O)CCCCO 1458a_100000745533_100000210776 [0,0,0,0,0,1|2,0,0]=3 4309 B11R0.46 CC(C)OCC(=O)NCCC#N 11a_100000720768_100000745533 [0,0,0,0,0,1|2,0,1]=4 4310 B11R0.46 CC(C)OCC(=O)NCCC#N 1626a_100000720768_100000745533 [0,0,0,0,0,1|2,0,1]=4 4311 B11R0.46 CC(C)OCC(=O)NCCC#N 240690a_100000720768_100000745533 [0,0,0,0,0,1|2,0,1]=4 4312 B11R0.46 CC(C)OCC(=O)NCCC#N 527a_100000720768_100000745533 [0,0,0,0,0,1|2,0,1]=4 4313 B11R0.46 CC(C)OCC(=O)NCCCF 11a_100015189416_100000745533 [0,0,0,0,0,1|2,0,0]=3 4314 B11R0.46 CC(C)OCC(=O)NCCCF 1626a_100015189416_100000745533 [0,0,0,0,0,1|2,0,0]=3 4315 B11R0.46 CC(C)OCC(=O)NCCCF 240690a_100015189416_100000745533 [0,0,0,0,0,1|2,0,0]=3 4316 B11R0.46 CC(C)OCC(=O)NCCCF 527a_100015189416_100000745533 [0,0,0,0,0,1|2,0,0]=3 4317 B11R0.46 CC(C)OCC(=O)NCCCO 240690a_100000182051_100000745533 [0,0,0,0,0,1|2,0,0]=3 4318 B11R0.46 CC(C)OCC(=O)NCCCO 527a_100000182051_100000745533 [0,0,0,0,0,1|2,0,0]=3 4319 B11R0.46 CC(C)OCC(=O)NNCCO 22a_100000210001_100000745533 [0,0,0,0,0,1|3,0,0]=4 4320 B11R0.46 CC(C)SCC(=O)CCCC#N 1458a_100000241585_100000211468 [0,0,0,0,0,1|2,0,1]=4 4321 B11R0.46 CC(C)SCC(=O)CCCCF 1458a_100000241585_100000729493 [0,0,0,0,0,1|2,0,0]=3 4322 B11R0.46 CC(C)SCC(=O)CCCCO 1458a_100000241585_100000210776 [0,0,0,0,0,1|2,0,0]=3 4323 B11R0.46 CC(C)SCC(=O)NCCC#N 11a_100000720768_100000241585 [0,0,0,0,0,1|2,0,1]=4 4324 B11R0.46 CC(C)SCC(=O)NCCC#N 1626a_100000720768_100000241585 [0,0,0,0,0,1|2,0,1]=4 4325 B11R0.46 CC(C)SCC(=O)NCCC#N 240690a_100000720768_100000241585 [0,0,0,0,0,1|2,0,1]=4 4326 B11R0.46 CC(C)SCC(=O)NCCC#N 527a_100000720768_100000241585 [0,0,0,0,0,1|2,0,1]=4 4327 B11R0.46 CC(C)SCC(=O)NCCCF 11a_100015189416_100000241585 [0,0,0,0,0,1|2,0,0]=3 4328 B11R0.46 CC(C)SCC(=O)NCCCF 1626a_100015189416_100000241585 [0,0,0,0,0,1|2,0,0]=3 4329 B11R0.46 CC(C)SCC(=O)NCCCF 240690a_100015189416_100000241585 [0,0,0,0,0,1|2,0,0]=3 4330 B11R0.46 CC(C)SCC(=O)NCCCF 527a_100015189416_100000241585 [0,0,0,0,0,1|2,0,0]=3 4331 B11R0.46 CC(C)SCC(=O)NCCCO 240690a_100000182051_100000241585 [0,0,0,0,0,1|2,0,0]=3 4332 B11R0.46 CC(C)SCC(=O)NCCCO 527a_100000182051_100000241585 [0,0,0,0,0,1|2,0,0]=3 4333 B11R0.46 CC(C)SCC(=O)NNCCO 22a_100000210001_100000241585 [0,0,0,0,0,1|3,0,0]=4 4334 B11R0.46 CC(O)CCC(=O)CCCCO 1458a_100000695505_100012276601 [0,0,0,0,0,1|3,0,0]=4 4335 B11R0.46 CC(O)CCC(=O)NCCCF 1626a_100015189416_100000718519 [0,0,0,0,0,1|3,0,0]=4 4336 B11R0.46 CC(O)CNC(=O)NCCCF 2708a_100015189416_100000210904 [0,0,0,0,0,1|3,0,0]=4 4337 B11R0.46 CC(O)CNC(=O)NCCCF 273464a_100000210904_100015189416 [0,0,0,0,0,1|3,0,0]=4 4338 B11R0.46 CC(O)CNC(=O)NCCCF 273464a_100015189416_100000210904 [0,0,0,0,0,1|3,0,0]=4 4339 B11R0.46 CC(O)CNC(=O)NCCCF 512a_100000210904_100015189416 [0,0,0,0,0,1|3,0,0]=4 4340 B11R0.46 CC(O)CNC(=O)NCCCF 512a_100015189416_100000210904 [0,0,0,0,0,1|3,0,0]=4 4341 B11R0.46 CC(O)CNC(=O)NCCCO 273464a_100000182051_100000210904 [0,0,0,0,0,1|3,0,0]=4 4342 B11R0.46 CC(O)CNC(=O)NCCCO 273464a_100000210904_100000182051 [0,0,0,0,0,1|3,0,0]=4 4343 B11R0.46 CC(O)CNC(=O)NCCCO 512a_100000210904_100000182051 [0,0,0,0,0,1|3,0,0]=4 4344 B11R0.46 CC/C=C/CC(=O)CCC(C)C 1458a_100016274230_100000210312 [0,0,0,0,0,1|1,0,2]=4 4345 B11R0.46 CC/C=C/CC(=O)NCC(C)C 11a_100000210953_100016274230 [0,0,0,0,0,1|1,0,2]=4 4346 B11R0.46 CC/C=C/CC(=O)NCC(C)C 1626a_100000210953_100016274230 [0,0,0,0,0,1|1,0,2]=4 4347 B11R0.46 CC/C=C/CC(=O)NCC(C)C 240690a_100000210953_100016274230 [0,0,0,0,0,1|1,0,2]=4 4348 B11R0.46 CC/C=C/CC(=O)NCC(C)C 527a_100000210953_100016274230 [0,0,0,0,0,1|1,0,2]=4 4349 B11R0.46 CC/C=C\CC(=O)CCC(C)C 1458a_100000181311_100103147603 [0,0,0,0,0,1|1,0,2]=4 4350 B11R0.46 CC/C=C\CC(=O)COC(C)C 1458a_100000745533_100103147603 [0,0,0,0,0,1|1,0,2]=4 4351 B11R0.46 CC/C=C\CC(=O)CSC(C)C 1458a_100000241585_100103147603 [0,0,0,0,0,1|1,0,2]=4 4352 B11R0.46 CCC#CCC(=O)CCC(C)C 1458a_100000181311_100009813939 [0,0,0,0,0,1|1,0,2]=4 4353 B11R0.46 CCC#CCC(=O)COC(C)C 1458a_100000745533_100009813939 [0,0,0,0,0,1|1,0,2]=4 4354 B11R0.46 CCC#CCC(=O)CSC(C)C 1458a_100000241585_100009813939 [0,0,0,0,0,1|1,0,2]=4 4355 B11R0.46 CCCC#CC(=O)CC=C(C)C 1458a_200011218047_100000761012 [0,0,0,0,0,1|1,0,2]=4 4356 B11R0.46 CCCC#CC(=O)CCC(C)C 1458a_200011218047_100000210312 [0,0,0,0,0,1|1,0,1]=3 4357 B11R0.46 CCCC#CC(=O)CCC(C)O 1458a_200011218047_100012276601 [0,0,0,0,0,1|2,0,1]=4 4358 B11R0.46 CCCC#CC(=O)NCC(C)C 240690a_100000210953_200011218047 [0,0,0,0,0,1|1,0,1]=3 4359 B11R0.46 CCCC#CC(=O)NCC(C)O 240690a_100000210904_200011218047 [0,0,0,0,0,1|2,0,1]=4 4360 B11R0.46 CCCC#CC(=O)NNC(C)C 22a_100000741168_200011218047 [0,0,0,0,0,1|2,0,1]=4 4361 B11R0.46 CCCC=CC(=O)CC=C(C)C 1458a_100000212230_100000761012 [0,0,0,0,0,1|1,0,2]=4 4362 B11R0.46 CCCC=CC(=O)CCC(C)C 1458a_100000212230_100000210312 [0,0,0,0,0,1|1,0,1]=3 4363 B11R0.46 CCCC=CC(=O)CCC(C)O 1458a_100000212230_100012276601 [0,0,0,0,0,1|2,0,1]=4 4364 B11R0.46 CCCC=CC(=O)NCC(C)C 11a_100000210953_100000212230 [0,0,0,0,0,1|1,0,1]=3 4365 B11R0.46 CCCC=CC(=O)NCC(C)C 1626a_100000210953_100000212230 [0,0,0,0,0,1|1,0,1]=3 4366 B11R0.46 CCCC=CC(=O)NCC(C)C 240690a_100000210953_100000212230 [0,0,0,0,0,1|1,0,1]=3 4367 B11R0.46 CCCC=CC(=O)NCC(C)O 11a_100000210904_100000212230 [0,0,0,0,0,1|2,0,1]=4 4368 B11R0.46 CCCC=CC(=O)NCC(C)O 240690a_100000210904_100000212230 [0,0,0,0,0,1|2,0,1]=4 4369 B11R0.46 CCCC=CC(=O)NNC(C)C 22a_100000741168_100000212230 [0,0,0,0,0,1|2,0,1]=4 4370 B11R0.46 CCCCCC(=NNC(C)C)C 4a_100000741168_100000211708 [0,0,0,0,0,1|3,0,0]=4 4371 B11R0.46 CCCCCC(=O)C=CC(C)C 1458a_100016268746_100000210326 [0,0,0,0,0,1|1,0,1]=3 4372 B11R0.46 CCCCCC(=O)CC=C(C)C 1458a_100000212188_100000761012 [0,0,0,0,0,1|1,0,1]=3 4373 B11R0.46 CCCCCC(=O)CC=C(C)C 1458a_100011220947_100000210326 [0,0,0,0,0,1|1,0,1]=3 4374 B11R0.46 CCCCCC(=O)CCC(C)C 1458a_100000181311_100000210326 [0,0,0,0,0,1|1,0,0]=2 4375 B11R0.46 CCCCCC(=O)CCC(C)C 1458a_100000212188_100000210312 [0,0,0,0,0,1|1,0,0]=2 4376 B11R0.46 CCCCCC(=O)CCC(C)O 1458a_100000212188_100012276601 [0,0,0,0,0,1|2,0,0]=3 4377 B11R0.46 CCCCCC(=O)CC[S+](C)C 1458a_100009452791_100000210326 [0,0,0,0,0,1|2,0,0]=3 4378 B11R0.46 CCCCCC(=O)CNC(=O)C 1458a_100000194580_100000210326 [0,0,0,0,0,1|2,0,1]=4 4379 B11R0.46 CCCCCC(=O)CNC(C)C 2230a_100138425928_200012276598 [0,0,0,0,0,1|1,0,0]=2 4380 B11R0.46 CCCCCC(=O)CNC(C)C 34a_100138425928_200012276598 [0,0,0,0,0,1|1,0,0]=2 4381 B11R0.46 CCCCCC(=O)COC(=O)C 1458a_100000183556_100000210326 [0,0,0,0,0,1|2,0,1]=4 4382 B11R0.46 CCCCCC(=O)COC(C)C 1458a_100000745533_100000210326 [0,0,0,0,0,1|1,0,0]=2 4383 B11R0.46 CCCCCC(=O)COC(C)C 34a_100000212225_200012276598 [0,0,0,0,0,1|1,0,0]=2 4384 B11R0.46 CCCCCC(=O)COC(F)F 1458a_200000719455_100000210326 [0,0,0,0,0,1|3,0,0]=4 4385 B11R0.46 CCCCCC(=O)CSC(=O)C 1458a_100000049016_100000210326 [0,0,0,0,0,1|2,0,1]=4 4386 B11R0.46 CCCCCC(=O)CSC(C)C 1458a_100000241585_100000210326 [0,0,0,0,0,1|1,0,0]=2 4387 B11R0.46 CCCCCC(=O)CSC(C)C 62a_100000210206_200012276598 [0,0,0,0,0,1|1,0,0]=2 4388 B11R0.46 CCCCCC(=O)CSC(C)C 62a_200012276598_100000210206 [0,0,0,0,0,1|1,0,0]=2 4389 B11R0.46 CCCCCC(=O)CSC(F)F 1458a_114828291038_100000210326 [0,0,0,0,0,1|3,0,0]=4 4390 B11R0.46 CCCCCC(=O)NCC(C)C 11a_100000210953_100000212188 [0,0,0,0,0,1|1,0,0]=2 4391 B11R0.46 CCCCCC(=O)NCC(C)C 1626a_100000210953_100000212188 [0,0,0,0,0,1|1,0,0]=2 4392 B11R0.46 CCCCCC(=O)NCC(C)C 240690a_100000210953_100000212188 [0,0,0,0,0,1|1,0,0]=2 4393 B11R0.46 CCCCCC(=O)NCC(C)C 527a_100000210953_100000212188 [0,0,0,0,0,1|1,0,0]=2 4394 B11R0.46 CCCCCC(=O)NCC(C)O 11a_100000210904_100000212188 [0,0,0,0,0,1|2,0,0]=3 4395 B11R0.46 CCCCCC(=O)NCC(C)O 240690a_100000210904_100000212188 [0,0,0,0,0,1|2,0,0]=3 4396 B11R0.46 CCCCCC(=O)NCC(C)O 527a_100000210904_100000212188 [0,0,0,0,0,1|2,0,0]=3 4397 B11R0.46 CCCCCC(=O)NCC(F)F 11a_100000765723_100000212188 [0,0,0,0,0,1|3,0,0]=4 4398 B11R0.46 CCCCCC(=O)NCC(F)F 1626a_100000765723_100000212188 [0,0,0,0,0,1|3,0,0]=4 4399 B11R0.46 CCCCCC(=O)NCC(F)F 240690a_100000765723_100000212188 [0,0,0,0,0,1|3,0,0]=4 4400 B11R0.46 CCCCCC(=O)NCC(F)F 527a_100000765723_100000212188 [0,0,0,0,0,1|3,0,0]=4 4401 B11R0.46 CCCCCC(=O)NNC(C)C 22a_100000741168_100000212188 [0,0,0,0,0,1|2,0,0]=3 4402 B11R0.46 CCCCCC(C)NCC(C)C 2230a_100000210953_200011218191 [0,0,0,0,0,1|2,0,1]=4 4403 B11R0.46 CCCCCC(C)NCC(C)C 2230a_100000211957_100000210760 [0,0,0,0,0,1|2,0,1]=4 4404 B11R0.46 CCCCCC(C)NCC(C)C 270004a_100000210953_100000211708 [0,0,0,0,0,1|2,0,1]=4 4405 B11R0.46 CCCCCC(C)NCC(C)C 270004a_100000211957_100000210432 [0,0,0,0,0,1|2,0,1]=4 4406 B11R0.46 CCCCCC(C)NCC(C)C 34a_100000210953_200011218191 [0,0,0,0,0,1|2,0,1]=4 4407 B11R0.46 CCCCCC(C)OCC(C)C 34a_100000210257_200011218191 [0,0,0,0,0,1|2,0,1]=4 4408 B11R0.46 CCCCCC(C)OCC(C)C 34a_100011215632_100000210624 [0,0,0,0,0,1|2,0,1]=4 4409 B11R0.46 CCCCCC(C)OCC(C)C 7a_100011215632_100000210760 [0,0,0,0,0,1|2,0,1]=4 4410 B11R0.46 CCCCCC(C)SCC(C)C 62a_100000210624_200011218191 [0,0,0,0,0,1|2,0,1]=4 4411 B11R0.46 CCCCCC(C)SCC(C)C 62a_200011218191_100000210760 [0,0,0,0,0,1|2,0,1]=4 4412 B11R0.46 CCCCCN(C)CCC(C)C 2230a_100000223495_100000210312 [0,0,0,0,0,1|3,0,0]=4 4413 B11R0.46 CCCCCN(C)CCC(C)C 2230a_100000742789_100000210326 [0,0,0,0,0,1|3,0,0]=4 4414 B11R0.46 CCCCCN(C)CCC(C)C 269982a_100000223495_100000210312 [0,0,0,0,0,1|3,0,0]=4 4415 B11R0.46 CCCCCN(C)CCC(C)C 269982a_100000742789_100000210215 [0,0,0,0,0,1|3,0,0]=4 4416 B11R0.46 CCCCCN(C)COC(C)C 2230a_100000223495_100000709892 [0,0,0,0,0,1|3,0,0]=4 4417 B11R0.46 CCCCCN(C)COC(C)C 269982a_100000223495_100000709892 [0,0,0,0,0,1|3,0,0]=4 4418 B11R0.46 CCCCNC(=O)C=CC(C)C 11a_100000102301_100016268746 [0,0,0,0,0,1|1,0,1]=3 4419 B11R0.46 CCCCNC(=O)C=CC(C)C 1626a_100000102301_100016268746 [0,0,0,0,0,1|1,0,1]=3 4420 B11R0.46 CCCCNC(=O)C=CC(C)C 240690a_100000102301_100016268746 [0,0,0,0,0,1|1,0,1]=3 4421 B11R0.46 CCCCNC(=O)CC=C(C)C 11a_100000102301_100011220947 [0,0,0,0,0,1|1,0,1]=3 4422 B11R0.46 CCCCNC(=O)CC=C(C)C 1626a_100000102301_100011220947 [0,0,0,0,0,1|1,0,1]=3 4423 B11R0.46 CCCCNC(=O)CC=C(C)C 240690a_100000102301_100011220947 [0,0,0,0,0,1|1,0,1]=3 4424 B11R0.46 CCCCNC(=O)CC=C(C)C 527a_100000102301_100011220947 [0,0,0,0,0,1|1,0,1]=3 4425 B11R0.46 CCCCNC(=O)CCC(C)C 11a_100000102301_100000181311 [0,0,0,0,0,1|1,0,0]=2 4426 B11R0.46 CCCCNC(=O)CCC(C)C 1626a_100000102301_100000181311 [0,0,0,0,0,1|1,0,0]=2 4427 B11R0.46 CCCCNC(=O)CCC(C)C 240690a_100000102301_100000181311 [0,0,0,0,0,1|1,0,0]=2 4428 B11R0.46 CCCCNC(=O)CCC(C)C 527a_100000102301_100000181311 [0,0,0,0,0,1|1,0,0]=2 4429 B11R0.46 CCCCNC(=O)CCC(C)O 1626a_100000102301_100000718519 [0,0,0,0,0,1|2,0,0]=3 4430 B11R0.46 CCCCNC(=O)CCN(C)C 11a_100000102301_100000689311 [0,0,0,0,0,1|2,0,0]=3 4431 B11R0.46 CCCCNC(=O)CCN(C)C 240690a_100000102301_100000689311 [0,0,0,0,0,1|2,0,0]=3 4432 B11R0.46 CCCCNC(=O)CCN(C)C 527a_100000102301_100000689311 [0,0,0,0,0,1|2,0,0]=3 4433 B11R0.46 CCCCNC(=O)CC[S+](C)C 11a_100000102301_100009452791 [0,0,0,0,0,1|2,0,0]=3 4434 B11R0.46 CCCCNC(=O)CC[S+](C)C 1626a_100000102301_100009452791 [0,0,0,0,0,1|2,0,0]=3 4435 B11R0.46 CCCCNC(=O)CC[S+](C)C 240690a_100000102301_100009452791 [0,0,0,0,0,1|2,0,0]=3 4436 B11R0.46 CCCCNC(=O)CNC(=O)C 11a_100000102301_100000194580 [0,0,0,0,0,1|2,0,1]=4 4437 B11R0.46 CCCCNC(=O)CNC(=O)C 1626a_100000102301_100000194580 [0,0,0,0,0,1|2,0,1]=4 4438 B11R0.46 CCCCNC(=O)CNC(=O)C 240690a_100000102301_100000194580 [0,0,0,0,0,1|2,0,1]=4 4439 B11R0.46 CCCCNC(=O)CNC(=O)C 527a_100000102301_100000194580 [0,0,0,0,0,1|2,0,1]=4 4440 B11R0.46 CCCCNC(=O)CNC(C)C 2230a_100138425928_100000182744 [0,0,0,0,0,1|1,0,0]=2 4441 B11R0.46 CCCCNC(=O)CNC(C)C 34a_100138425928_100000182744 [0,0,0,0,0,1|1,0,0]=2 4442 B11R0.46 CCCCNC(=O)COC(=O)C 1626a_100000102301_100000183556 [0,0,0,0,0,1|2,0,1]=4 4443 B11R0.46 CCCCNC(=O)COC(=O)C 240690a_100000102301_100000183556 [0,0,0,0,0,1|2,0,1]=4 4444 B11R0.46 CCCCNC(=O)COC(=O)C 527a_100000102301_100000183556 [0,0,0,0,0,1|2,0,1]=4 4445 B11R0.46 CCCCNC(=O)COC(C)C 11a_100000102301_100000745533 [0,0,0,0,0,1|1,0,0]=2 4446 B11R0.46 CCCCNC(=O)COC(C)C 1626a_100000102301_100000745533 [0,0,0,0,0,1|1,0,0]=2 4447 B11R0.46 CCCCNC(=O)COC(C)C 240690a_100000102301_100000745533 [0,0,0,0,0,1|1,0,0]=2 4448 B11R0.46 CCCCNC(=O)COC(C)C 34a_100000212225_100000182744 [0,0,0,0,0,1|1,0,0]=2 4449 B11R0.46 CCCCNC(=O)COC(C)C 527a_100000102301_100000745533 [0,0,0,0,0,1|1,0,0]=2 4450 B11R0.46 CCCCNC(=O)COC(F)F 11a_100000102301_200000719455 [0,0,0,0,0,1|3,0,0]=4 4451 B11R0.46 CCCCNC(=O)COC(F)F 1626a_100000102301_200000719455 [0,0,0,0,0,1|3,0,0]=4 4452 B11R0.46 CCCCNC(=O)COC(F)F 240690a_100000102301_200000719455 [0,0,0,0,0,1|3,0,0]=4 4453 B11R0.46 CCCCNC(=O)COC(F)F 527a_100000102301_200000719455 [0,0,0,0,0,1|3,0,0]=4 4454 B11R0.46 CCCCNC(=O)CSC(=O)C 11a_100000102301_100000049016 [0,0,0,0,0,1|2,0,1]=4 4455 B11R0.46 CCCCNC(=O)CSC(=O)C 1626a_100000102301_100000049016 [0,0,0,0,0,1|2,0,1]=4 4456 B11R0.46 CCCCNC(=O)CSC(=O)C 240690a_100000102301_100000049016 [0,0,0,0,0,1|2,0,1]=4 4457 B11R0.46 CCCCNC(=O)CSC(C)C 11a_100000102301_100000241585 [0,0,0,0,0,1|1,0,0]=2 4458 B11R0.46 CCCCNC(=O)CSC(C)C 1626a_100000102301_100000241585 [0,0,0,0,0,1|1,0,0]=2 4459 B11R0.46 CCCCNC(=O)CSC(C)C 240690a_100000102301_100000241585 [0,0,0,0,0,1|1,0,0]=2 4460 B11R0.46 CCCCNC(=O)CSC(C)C 527a_100000102301_100000241585 [0,0,0,0,0,1|1,0,0]=2 4461 B11R0.46 CCCCNC(=O)CSC(C)C 62a_100000182744_100000210206 [0,0,0,0,0,1|1,0,0]=2 4462 B11R0.46 CCCCNC(=O)CSC(C)C 62a_100000210206_100000182744 [0,0,0,0,0,1|1,0,0]=2 4463 B11R0.46 CCCCNC(=O)CSC(F)F 11a_100000102301_114828291038 [0,0,0,0,0,1|3,0,0]=4 4464 B11R0.46 CCCCNC(=O)CSC(F)F 1626a_100000102301_114828291038 [0,0,0,0,0,1|3,0,0]=4 4465 B11R0.46 CCCCNC(=O)CSC(F)F 240690a_100000102301_114828291038 [0,0,0,0,0,1|3,0,0]=4 4466 B11R0.46 CCCCNC(=O)CSC(F)F 527a_100000102301_114828291038 [0,0,0,0,0,1|3,0,0]=4 4467 B11R0.46 CCCCNC(=O)NCC(C)C 2708a_100000102301_100000210953 [0,0,0,0,0,1|1,0,0]=2 4468 B11R0.46 CCCCNC(=O)NCC(C)C 2708a_100000210953_100000102301 [0,0,0,0,0,1|1,0,0]=2 4469 B11R0.46 CCCCNC(=O)NCC(C)C 273464a_100000102301_100000210953 [0,0,0,0,0,1|1,0,0]=2 4470 B11R0.46 CCCCNC(=O)NCC(C)C 273464a_100000210953_100000102301 [0,0,0,0,0,1|1,0,0]=2 4471 B11R0.46 CCCCNC(=O)NCC(C)C 512a_100000102301_100000210953 [0,0,0,0,0,1|1,0,0]=2 4472 B11R0.46 CCCCNC(=O)NCC(C)C 512a_100000210953_100000102301 [0,0,0,0,0,1|1,0,0]=2 4473 B11R0.46 CCCCNC(=O)NCC(C)O 2708a_100000102301_100000210904 [0,0,0,0,0,1|2,0,0]=3 4474 B11R0.46 CCCCNC(=O)NCC(C)O 273464a_100000102301_100000210904 [0,0,0,0,0,1|2,0,0]=3 4475 B11R0.46 CCCCNC(=O)NCC(C)O 273464a_100000210904_100000102301 [0,0,0,0,0,1|2,0,0]=3 4476 B11R0.46 CCCCNC(=O)NCC(C)O 512a_100000102301_100000210904 [0,0,0,0,0,1|2,0,0]=3 4477 B11R0.46 CCCCNC(=O)NCC(C)O 512a_100000210904_100000102301 [0,0,0,0,0,1|2,0,0]=3 4478 B11R0.46 CCCCNC(=O)NCC(F)F 2708a_100000102301_100000765723 [0,0,0,0,0,1|3,0,0]=4 4479 B11R0.46 CCCCNC(=O)NCC(F)F 273464a_100000102301_100000765723 [0,0,0,0,0,1|3,0,0]=4 4480 B11R0.46 CCCCNC(=O)NCC(F)F 273464a_100000765723_100000102301 [0,0,0,0,0,1|3,0,0]=4 4481 B11R0.46 CCCCNC(=O)NCC(F)F 512a_100000102301_100000765723 [0,0,0,0,0,1|3,0,0]=4 4482 B11R0.46 CCCCNC(=O)NCC(F)F 512a_100000765723_100000102301 [0,0,0,0,0,1|3,0,0]=4 4483 B11R0.46 CCCCNC(=O)NNC(C)C 273464a_100000102301_100000741168 [0,0,0,0,0,1|2,0,0]=3 4484 B11R0.46 CCCCNC(=O)NNC(C)C 512a_100000102301_100000741168 [0,0,0,0,0,1|2,0,0]=3 4485 B11R0.46 CCCCNC(=O)NNC(C)C 512a_100000741168_100000102301 [0,0,0,0,0,1|2,0,0]=3 4486 B11R0.46 CCCCNC(C)CCC(C)C 2230a_100000102301_100011261404 [0,0,0,0,0,1|2,0,1]=4 4487 B11R0.46 CCCCNC(C)CCC(C)C 2230a_100138410893_100000210211 [0,0,0,0,0,1|2,0,1]=4 4488 B11R0.46 CCCCNC(C)CCC(C)C 270004a_100000102301_100000210476 [0,0,0,0,0,1|2,0,1]=4 4489 B11R0.46 CCCCOC(=O)CNC(C)C 2230a_100138425928_100000211628 [0,0,0,0,0,1|0,0,0]=1 4490 B11R0.46 CCCCOC(=O)CNC(C)C 34a_100138425928_100000211628 [0,0,0,0,0,1|0,0,0]=1 4491 B11R0.46 CCCCOC(=O)COC(C)C 34a_100000212225_100000211628 [0,0,0,0,0,1|0,0,0]=1 4492 B11R0.46 CCCCOC(=O)CSC(C)C 62a_100000210206_100000211628 [0,0,0,0,0,1|0,0,0]=1 4493 B11R0.46 CCCCOC(=O)CSC(C)C 62a_100000211628_100000210206 [0,0,0,0,0,1|0,0,0]=1 4494 B11R0.46 CCCCOC(C)CCC(C)C 34a_100000210227_100011261404 [0,0,0,0,0,1|1,0,1]=3 4495 B11R0.46 CCCCOC(C)CCC(C)C 34a_100011215350_100000210210 [0,0,0,0,0,1|1,0,1]=3 4496 B11R0.46 CCCCOC(C)CCC(C)C 7a_100011215350_100000210211 [0,0,0,0,0,1|1,0,1]=3 4497 B11R0.46 CCCCSC(C)CCC(C)C 62a_100000210211_100011261404 [0,0,0,0,0,1|1,1,1]=4 4498 B11R0.46 CCCCSC(C)CCC(C)C 62a_100011261404_100000210210 [0,0,0,0,0,1|1,1,1]=4 4499 B11R0.46 CCCNN=C(C)CCC(C)C 4a_100000740057_100000210476 [0,0,0,0,0,1|3,0,0]=4 4500 B11R0.46 CCCNNC(=O)C=CC(C)C 22a_100000740057_100016268746 [0,0,0,0,0,1|2,0,1]=4 4501 B11R0.46 CCCNNC(=O)CC=C(C)C 22a_100000740057_100011220947 [0,0,0,0,0,1|2,0,1]=4 4502 B11R0.46 CCCNNC(=O)CCC(C)C 22a_100000740057_100000181311 [0,0,0,0,0,1|2,0,0]=3 4503 B11R0.46 CCCNNC(=O)CCN(C)C 22a_100000740057_100000689311 [0,0,0,0,0,1|3,0,0]=4 4504 B11R0.46 CCCNNC(=O)CC[S+](C)C 22a_100000740057_100009452791 [0,0,0,0,0,1|3,0,0]=4 4505 B11R0.46 CCCNNC(=O)COC(C)C 22a_100000740057_100000745533 [0,0,0,0,0,1|2,0,0]=3 4506 B11R0.46 CCCNNC(=O)CSC(C)C 22a_100000740057_100000241585 [0,0,0,0,0,1|2,0,0]=3 4507 B11R0.46 CCCNNC(=O)NCC(C)C 273464a_100000210953_100000740057 [0,0,0,0,0,1|2,0,0]=3 4508 B11R0.46 CCCNNC(=O)NCC(C)C 512a_100000210953_100000740057 [0,0,0,0,0,1|2,0,0]=3 4509 B11R0.46 CCCNNC(=O)NCC(C)C 512a_100000740057_100000210953 [0,0,0,0,0,1|2,0,0]=3 4510 B11R0.46 CCCNNC(=O)NCC(C)O 273464a_100000210904_100000740057 [0,0,0,0,0,1|3,0,0]=4 4511 B11R0.46 CCCNNC(=O)NCC(C)O 512a_100000210904_100000740057 [0,0,0,0,0,1|3,0,0]=4 4512 B11R0.46 CCCNNC(=O)NCC(C)O 512a_100000740057_100000210904 [0,0,0,0,0,1|3,0,0]=4 4513 B11R0.46 CCCNNC(=O)NNC(C)C 512a_100000740057_100000741168 [0,0,0,0,0,1|3,0,0]=4 4514 B11R0.46 CCCNNC(=O)NNC(C)C 512a_100000741168_100000740057 [0,0,0,0,0,1|3,0,0]=4 4515 B11R0.46 CCCOCC(=O)CC=C(C)C 1458a_100000745993_100000761012 [0,0,0,0,0,1|2,0,1]=4 4516 B11R0.46 CCCOCC(=O)CCC(C)C 1458a_100000745993_100000210312 [0,0,0,0,0,1|2,0,0]=3 4517 B11R0.46 CCCOCC(=O)CCC(C)O 1458a_100000745993_100012276601 [0,0,0,0,0,1|3,0,0]=4 4518 B11R0.46 CCCOCC(=O)NCC(C)C 11a_100000210953_100000745993 [0,0,0,0,0,1|2,0,0]=3 4519 B11R0.46 CCCOCC(=O)NCC(C)C 1626a_100000210953_100000745993 [0,0,0,0,0,1|2,0,0]=3 4520 B11R0.46 CCCOCC(=O)NCC(C)C 240690a_100000210953_100000745993 [0,0,0,0,0,1|2,0,0]=3 4521 B11R0.46 CCCOCC(=O)NCC(C)C 34a_100000210258_100000183291 [0,0,0,0,0,1|2,0,0]=3 4522 B11R0.46 CCCOCC(=O)NCC(C)C 527a_100000210953_100000745993 [0,0,0,0,0,1|2,0,0]=3 4523 B11R0.46 CCCOCC(=O)NCC(C)O 11a_100000210904_100000745993 [0,0,0,0,0,1|3,0,0]=4 4524 B11R0.46 CCCOCC(=O)NCC(C)O 240690a_100000210904_100000745993 [0,0,0,0,0,1|3,0,0]=4 4525 B11R0.46 CCCOCC(=O)NCC(C)O 527a_100000210904_100000745993 [0,0,0,0,0,1|3,0,0]=4 4526 B11R0.46 CCCOCC(=O)NNC(C)C 22a_100000741168_100000745993 [0,0,0,0,0,1|3,0,0]=4 4527 B11R0.46 CCCSCC(=O)CC=C(C)C 1458a_100000217233_100000761012 [0,0,0,0,0,1|2,0,1]=4 4528 B11R0.46 CCCSCC(=O)CCC(C)C 1458a_100000217233_100000210312 [0,0,0,0,0,1|2,0,0]=3 4529 B11R0.46 CCCSCC(=O)CCC(C)O 1458a_100000217233_100012276601 [0,0,0,0,0,1|3,0,0]=4 4530 B11R0.46 CCCSCC(=O)NCC(C)C 11a_100000210953_100000217233 [0,0,0,0,0,1|2,0,0]=3 4531 B11R0.46 CCCSCC(=O)NCC(C)C 1626a_100000210953_100000217233 [0,0,0,0,0,1|2,0,0]=3 4532 B11R0.46 CCCSCC(=O)NCC(C)C 240690a_100000210953_100000217233 [0,0,0,0,0,1|2,0,0]=3 4533 B11R0.46 CCCSCC(=O)NCC(C)C 527a_100000210953_100000217233 [0,0,0,0,0,1|2,0,0]=3 4534 B11R0.46 CCCSCC(=O)NCC(C)C 62a_100000183291_100000210303 [0,0,0,0,0,1|2,0,0]=3 4535 B11R0.46 CCCSCC(=O)NCC(C)C 62a_100000210303_100000183291 [0,0,0,0,0,1|2,0,0]=3 4536 B11R0.46 CCCSCC(=O)NCC(C)O 11a_100000210904_100000217233 [0,0,0,0,0,1|3,0,0]=4 4537 B11R0.46 CCCSCC(=O)NCC(C)O 240690a_100000210904_100000217233 [0,0,0,0,0,1|3,0,0]=4 4538 B11R0.46 CCCSCC(=O)NCC(C)O 527a_100000210904_100000217233 [0,0,0,0,0,1|3,0,0]=4 4539 B11R0.46 CCCSCC(=O)NNC(C)C 22a_100000741168_100000217233 [0,0,0,0,0,1|3,0,0]=4 4540 B11R0.46 CCOC=CC(=O)CCC(C)C 1458a_100016266692_100000210312 [0,0,0,0,0,1|2,0,1]=4 4541 B11R0.46 CCOC=CC(=O)NCC(C)C 11a_100000210953_100016266692 [0,0,0,0,0,1|2,0,1]=4 4542 B11R0.46 CCOC=CC(=O)NCC(C)C 1626a_100000210953_100016266692 [0,0,0,0,0,1|2,0,1]=4 4543 B11R0.46 CCOC=CC(=O)NCC(C)C 240690a_100000210953_100016266692 [0,0,0,0,0,1|2,0,1]=4 4544 B11R0.46 CCOCCC(=O)C=CC(C)C 1458a_100016268746_100011215890 [0,0,0,0,0,1|2,0,1]=4 4545 B11R0.46 CCOCCC(=O)CC=C(C)C 1458a_100000749530_100000761012 [0,0,0,0,0,1|2,0,1]=4 4546 B11R0.46 CCOCCC(=O)CC=C(C)C 1458a_100011220947_100011215890 [0,0,0,0,0,1|2,0,1]=4 4547 B11R0.46 CCOCCC(=O)CCC(C)C 1458a_100000181311_100011215890 [0,0,0,0,0,1|2,0,0]=3 4548 B11R0.46 CCOCCC(=O)CCC(C)C 1458a_100000749530_100000210312 [0,0,0,0,0,1|2,0,0]=3 4549 B11R0.46 CCOCCC(=O)CCC(C)O 1458a_100000749530_100012276601 [0,0,0,0,0,1|3,0,0]=4 4550 B11R0.46 CCOCCC(=O)CC[S+](C)C 1458a_100009452791_100011215890 [0,0,0,0,0,1|3,0,0]=4 4551 B11R0.46 CCOCCC(=O)COC(C)C 1458a_100000745533_100011215890 [0,0,0,0,0,1|2,0,0]=3 4552 B11R0.46 CCOCCC(=O)CSC(C)C 1458a_100000241585_100011215890 [0,0,0,0,0,1|2,0,0]=3 4553 B11R0.46 CCOCCC(=O)NCC(C)C 11a_100000210953_100000749530 [0,0,0,0,0,1|2,0,0]=3 4554 B11R0.46 CCOCCC(=O)NCC(C)C 1626a_100000210953_100000749530 [0,0,0,0,0,1|2,0,0]=3 4555 B11R0.46 CCOCCC(=O)NCC(C)C 240690a_100000210953_100000749530 [0,0,0,0,0,1|2,0,0]=3 4556 B11R0.46 CCOCCC(=O)NCC(C)C 527a_100000210953_100000749530 [0,0,0,0,0,1|2,0,0]=3 4557 B11R0.46 CCOCCC(=O)NCC(C)O 11a_100000210904_100000749530 [0,0,0,0,0,1|3,0,0]=4 4558 B11R0.46 CCOCCC(=O)NCC(C)O 240690a_100000210904_100000749530 [0,0,0,0,0,1|3,0,0]=4 4559 B11R0.46 CCOCCC(=O)NCC(C)O 527a_100000210904_100000749530 [0,0,0,0,0,1|3,0,0]=4 4560 B11R0.46 CCOCCC(=O)NNC(C)C 22a_100000741168_100000749530 [0,0,0,0,0,1|3,0,0]=4 4561 B11R0.46 CCSCCC(=O)C=CC(C)C 1458a_100016268746_100000757381 [0,0,0,0,0,1|2,0,1]=4 4562 B11R0.46 CCSCCC(=O)CC=C(C)C 1458a_100000230768_100000761012 [0,0,0,0,0,1|2,0,1]=4 4563 B11R0.46 CCSCCC(=O)CC=C(C)C 1458a_100011220947_100000757381 [0,0,0,0,0,1|2,0,1]=4 4564 B11R0.46 CCSCCC(=O)CCC(C)C 1458a_100000181311_100000757381 [0,0,0,0,0,1|2,0,0]=3 4565 B11R0.46 CCSCCC(=O)CCC(C)C 1458a_100000230768_100000210312 [0,0,0,0,0,1|2,0,0]=3 4566 B11R0.46 CCSCCC(=O)CCC(C)O 1458a_100000230768_100012276601 [0,0,0,0,0,1|3,0,0]=4 4567 B11R0.46 CCSCCC(=O)CC[S+](C)C 1458a_100009452791_100000757381 [0,0,0,0,0,1|3,0,0]=4 4568 B11R0.46 CCSCCC(=O)COC(C)C 1458a_100000745533_100000757381 [0,0,0,0,0,1|2,0,0]=3 4569 B11R0.46 CCSCCC(=O)CSC(C)C 1458a_100000241585_100000757381 [0,0,0,0,0,1|2,0,0]=3 4570 B11R0.46 CCSCCC(=O)NCC(C)C 11a_100000210953_100000230768 [0,0,0,0,0,1|2,0,0]=3 4571 B11R0.46 CCSCCC(=O)NCC(C)C 1626a_100000210953_100000230768 [0,0,0,0,0,1|2,0,0]=3 4572 B11R0.46 CCSCCC(=O)NCC(C)C 240690a_100000210953_100000230768 [0,0,0,0,0,1|2,0,0]=3 4573 B11R0.46 CCSCCC(=O)NCC(C)C 527a_100000210953_100000230768 [0,0,0,0,0,1|2,0,0]=3 4574 B11R0.46 CCSCCC(=O)NCC(C)O 11a_100000210904_100000230768 [0,0,0,0,0,1|3,0,0]=4 4575 B11R0.46 CCSCCC(=O)NCC(C)O 240690a_100000210904_100000230768 [0,0,0,0,0,1|3,0,0]=4 4576 B11R0.46 CCSCCC(=O)NCC(C)O 527a_100000210904_100000230768 [0,0,0,0,0,1|3,0,0]=4 4577 B11R0.46 CCSCCC(=O)NNC(C)C 22a_100000741168_100000230768 [0,0,0,0,0,1|3,0,0]=4 4578 B11R0.46 CN(C)CCC(=O)NCCCF 11a_100015189416_100000689311 [0,0,0,0,0,1|3,0,0]=4 4579 B11R0.46 CN(C)CCC(=O)NCCCF 240690a_100015189416_100000689311 [0,0,0,0,0,1|3,0,0]=4 4580 B11R0.46 CN(C)CCC(=O)NCCCF 527a_100015189416_100000689311 [0,0,0,0,0,1|3,0,0]=4 4581 B11R0.46 CN(C)CCC(=O)NCCCO 240690a_100000182051_100000689311 [0,0,0,0,0,1|3,0,0]=4 4582 B11R0.46 CN(C)CCC(=O)NCCCO 527a_100000182051_100000689311 [0,0,0,0,0,1|3,0,0]=4 4583 B11R0.46 CNCCCC(=O)NCC(C)C 2230a_106832991635_100011194448 [0,0,0,0,0,1|2,0,0]=3 4584 B11R0.46 CNCCCC(=O)NCC(C)C 34a_100102657272_100011194448 [0,0,0,0,0,1|2,0,0]=3 4585 B11R0.46 CNCCCC(=O)NCC(C)C 7a_106832991635_100011194448 [0,0,0,0,0,1|2,0,0]=3 4586 B11R0.46 COCC=CC(=O)CCC(C)C 1458a_100016285016_100000210312 [0,0,0,0,0,1|2,0,1]=4 4587 B11R0.46 COCC=CC(=O)NCC(C)C 11a_100000210953_100016285016 [0,0,0,0,0,1|2,0,1]=4 4588 B11R0.46 COCC=CC(=O)NCC(C)C 1626a_100000210953_100016285016 [0,0,0,0,0,1|2,0,1]=4 4589 B11R0.46 COCC=CC(=O)NCC(C)C 240690a_100000210953_100016285016 [0,0,0,0,0,1|2,0,1]=4 4590 B11R0.46 COCCCC(=O)C=CC(C)C 1458a_100016268746_100000740836 [0,0,0,0,0,1|2,0,1]=4 4591 B11R0.46 COCCCC(=O)CC=C(C)C 1458a_100000741012_100000761012 [0,0,0,0,0,1|2,0,1]=4 4592 B11R0.46 COCCCC(=O)CC=C(C)C 1458a_100011220947_100000740836 [0,0,0,0,0,1|2,0,1]=4 4593 B11R0.46 COCCCC(=O)CCC(C)C 1458a_100000181311_100000740836 [0,0,0,0,0,1|2,0,0]=3 4594 B11R0.46 COCCCC(=O)CCC(C)C 1458a_100000741012_100000210312 [0,0,0,0,0,1|2,0,0]=3 4595 B11R0.46 COCCCC(=O)CCC(C)O 1458a_100000741012_100012276601 [0,0,0,0,0,1|3,0,0]=4 4596 B11R0.46 COCCCC(=O)CC[S+](C)C 1458a_100009452791_100000740836 [0,0,0,0,0,1|3,0,0]=4 4597 B11R0.46 COCCCC(=O)COC(C)C 1458a_100000745533_100000740836 [0,0,0,0,0,1|2,0,0]=3 4598 B11R0.46 COCCCC(=O)CSC(C)C 1458a_100000241585_100000740836 [0,0,0,0,0,1|2,0,0]=3 4599 B11R0.46 COCCCC(=O)NCC(C)C 11a_100000210953_100000741012 [0,0,0,0,0,1|2,0,0]=3 4600 B11R0.46 COCCCC(=O)NCC(C)C 1626a_100000210953_100000741012 [0,0,0,0,0,1|2,0,0]=3 4601 B11R0.46 COCCCC(=O)NCC(C)C 240690a_100000210953_100000741012 [0,0,0,0,0,1|2,0,0]=3 4602 B11R0.46 COCCCC(=O)NCC(C)C 34a_100138415774_100011194448 [0,0,0,0,0,1|2,0,0]=3 4603 B11R0.46 COCCCC(=O)NCC(C)C 527a_100000210953_100000741012 [0,0,0,0,0,1|2,0,0]=3 4604 B11R0.46 COCCCC(=O)NCC(C)O 11a_100000210904_100000741012 [0,0,0,0,0,1|3,0,0]=4 4605 B11R0.46 COCCCC(=O)NCC(C)O 240690a_100000210904_100000741012 [0,0,0,0,0,1|3,0,0]=4 4606 B11R0.46 COCCCC(=O)NCC(C)O 527a_100000210904_100000741012 [0,0,0,0,0,1|3,0,0]=4 4607 B11R0.46 COCCCC(=O)NNC(C)C 22a_100000741168_100000741012 [0,0,0,0,0,1|3,0,0]=4 4608 B11R0.46 COCCNC(=O)C=CC(C)C 1626a_100000209980_100016268746 [0,0,0,0,0,1|2,0,1]=4 4609 B11R0.46 COCCNC(=O)C=CC(C)C 240690a_100000209980_100016268746 [0,0,0,0,0,1|2,0,1]=4 4610 B11R0.46 COCCNC(=O)CC=C(C)C 1626a_100000209980_100011220947 [0,0,0,0,0,1|2,0,1]=4 4611 B11R0.46 COCCNC(=O)CC=C(C)C 240690a_100000209980_100011220947 [0,0,0,0,0,1|2,0,1]=4 4612 B11R0.46 COCCNC(=O)CC=C(C)C 527a_100000209980_100011220947 [0,0,0,0,0,1|2,0,1]=4 4613 B11R0.46 COCCNC(=O)CCC(C)C 1626a_100000209980_100000181311 [0,0,0,0,0,1|2,0,0]=3 4614 B11R0.46 COCCNC(=O)CCC(C)C 240690a_100000209980_100000181311 [0,0,0,0,0,1|2,0,0]=3 4615 B11R0.46 COCCNC(=O)CCC(C)C 527a_100000209980_100000181311 [0,0,0,0,0,1|2,0,0]=3 4616 B11R0.46 COCCNC(=O)CCC(C)O 1626a_100000209980_100000718519 [0,0,0,0,0,1|3,0,0]=4 4617 B11R0.46 COCCNC(=O)CCN(C)C 240690a_100000209980_100000689311 [0,0,0,0,0,1|3,0,0]=4 4618 B11R0.46 COCCNC(=O)CCN(C)C 527a_100000209980_100000689311 [0,0,0,0,0,1|3,0,0]=4 4619 B11R0.46 COCCNC(=O)CC[S+](C)C 1626a_100000209980_100009452791 [0,0,0,0,0,1|3,0,0]=4 4620 B11R0.46 COCCNC(=O)CC[S+](C)C 240690a_100000209980_100009452791 [0,0,0,0,0,1|3,0,0]=4 4621 B11R0.46 COCCNC(=O)CNC(C)C 2230a_100000754632_100000210206 [0,0,0,0,0,1|2,0,0]=3 4622 B11R0.46 COCCNC(=O)CNC(C)C 2230a_100138425928_100000183275 [0,0,0,0,0,1|2,0,0]=3 4623 B11R0.46 COCCNC(=O)CNC(C)C 34a_100138425928_100000183275 [0,0,0,0,0,1|2,0,0]=3 4624 B11R0.46 COCCNC(=O)COC(C)C 1626a_100000209980_100000745533 [0,0,0,0,0,1|2,0,0]=3 4625 B11R0.46 COCCNC(=O)COC(C)C 240690a_100000209980_100000745533 [0,0,0,0,0,1|2,0,0]=3 4626 B11R0.46 COCCNC(=O)COC(C)C 34a_100000212225_100000183275 [0,0,0,0,0,1|2,0,0]=3 4627 B11R0.46 COCCNC(=O)COC(C)C 527a_100000209980_100000745533 [0,0,0,0,0,1|2,0,0]=3 4628 B11R0.46 COCCNC(=O)CSC(C)C 1626a_100000209980_100000241585 [0,0,0,0,0,1|2,0,0]=3 4629 B11R0.46 COCCNC(=O)CSC(C)C 240690a_100000209980_100000241585 [0,0,0,0,0,1|2,0,0]=3 4630 B11R0.46 COCCNC(=O)CSC(C)C 527a_100000209980_100000241585 [0,0,0,0,0,1|2,0,0]=3 4631 B11R0.46 COCCNC(=O)CSC(C)C 62a_100000183275_100000210206 [0,0,0,0,0,1|2,0,0]=3 4632 B11R0.46 COCCNC(=O)CSC(C)C 62a_100000210206_100000183275 [0,0,0,0,0,1|2,0,0]=3 4633 B11R0.46 COCCNC(=O)NCC(C)C 2708a_100000210953_100000209980 [0,0,0,0,0,1|2,0,0]=3 4634 B11R0.46 COCCNC(=O)NCC(C)C 273464a_100000209980_100000210953 [0,0,0,0,0,1|2,0,0]=3 4635 B11R0.46 COCCNC(=O)NCC(C)C 273464a_100000210953_100000209980 [0,0,0,0,0,1|2,0,0]=3 4636 B11R0.46 COCCNC(=O)NCC(C)O 273464a_100000209980_100000210904 [0,0,0,0,0,1|3,0,0]=4 4637 B11R0.46 COCCNC(=O)NCC(C)O 273464a_100000210904_100000209980 [0,0,0,0,0,1|3,0,0]=4 4638 B11R0.46 COCCNC(=O)NNC(C)C 273464a_100000209980_100000741168 [0,0,0,0,0,1|3,0,0]=4 4639 B11R0.46 COCCOC(=O)CNC(C)C 2230a_100138425928_200000040189 [0,0,0,0,0,1|1,0,0]=2 4640 B11R0.46 COCCOC(=O)CNC(C)C 34a_100138425928_200000040189 [0,0,0,0,0,1|1,0,0]=2 4641 B11R0.46 COCCOC(=O)COC(C)C 34a_100000212225_200000040189 [0,0,0,0,0,1|1,0,0]=2 4642 B11R0.46 COCCOC(=O)CSC(C)C 62a_100000210206_200000040189 [0,0,0,0,0,1|1,0,0]=2 4643 B11R0.46 COCCOC(=O)CSC(C)C 62a_200000040189_100000210206 [0,0,0,0,0,1|1,0,0]=2 4644 B11R0.46 COCCOC(C)CCC(C)C 34a_100000210237_100011261404 [0,0,0,0,0,1|2,0,1]=4 4645 B11R0.46 COCCOC(C)CCC(C)C 34a_100011215350_100011201679 [0,0,0,0,0,1|2,0,1]=4 4646 B11R0.46 COCCOC(C)CCC(C)C 7a_100011215350_100000233755 [0,0,0,0,0,1|2,0,1]=4 4647 B11R0.46 COCSCC(=O)NCC(C)C 62a_100000183291_100000766300 [0,0,0,0,0,1|3,0,0]=4 4648 B11R0.46 COCSCC(=O)NCC(C)C 62a_100000766300_100000183291 [0,0,0,0,0,1|3,0,0]=4 4649 B11R0.46 CSCCCC(=O)CC=C(C)C 1458a_100000173376_100000761012 [0,0,0,0,0,1|2,0,1]=4 4650 B11R0.46 CSCCCC(=O)CCC(C)C 1458a_100000173376_100000210312 [0,0,0,0,0,1|2,0,0]=3 4651 B11R0.46 CSCCCC(=O)CCC(C)O 1458a_100000173376_100012276601 [0,0,0,0,0,1|3,0,0]=4 4652 B11R0.46 CSCCCC(=O)NCC(C)C 11a_100000210953_100000173376 [0,0,0,0,0,1|2,0,0]=3 4653 B11R0.46 CSCCCC(=O)NCC(C)C 1626a_100000210953_100000173376 [0,0,0,0,0,1|2,0,0]=3 4654 B11R0.46 CSCCCC(=O)NCC(C)C 240690a_100000210953_100000173376 [0,0,0,0,0,1|2,0,0]=3 4655 B11R0.46 CSCCCC(=O)NCC(C)C 527a_100000210953_100000173376 [0,0,0,0,0,1|2,0,0]=3 4656 B11R0.46 CSCCCC(=O)NCC(C)C 62a_100011194448_200000210301 [0,0,0,0,0,1|2,0,0]=3 4657 B11R0.46 CSCCCC(=O)NCC(C)C 62a_200000210301_100011194448 [0,0,0,0,0,1|2,0,0]=3 4658 B11R0.46 CSCCCC(=O)NCC(C)O 11a_100000210904_100000173376 [0,0,0,0,0,1|3,0,0]=4 4659 B11R0.46 CSCCCC(=O)NCC(C)O 240690a_100000210904_100000173376 [0,0,0,0,0,1|3,0,0]=4 4660 B11R0.46 CSCCCC(=O)NCC(C)O 527a_100000210904_100000173376 [0,0,0,0,0,1|3,0,0]=4 4661 B11R0.46 CSCCCC(=O)NNC(C)C 22a_100000741168_100000173376 [0,0,0,0,0,1|3,0,0]=4 4662 B11R0.46 CSCCNC(=O)C=CC(C)C 11a_100020590264_100016268746 [0,0,0,0,0,1|2,0,1]=4 4663 B11R0.46 CSCCNC(=O)C=CC(C)C 1626a_100020590264_100016268746 [0,0,0,0,0,1|2,0,1]=4 4664 B11R0.46 CSCCNC(=O)C=CC(C)C 240690a_100020590264_100016268746 [0,0,0,0,0,1|2,0,1]=4 4665 B11R0.46 CSCCNC(=O)CC=C(C)C 11a_100020590264_100011220947 [0,0,0,0,0,1|2,0,1]=4 4666 B11R0.46 CSCCNC(=O)CC=C(C)C 1626a_100020590264_100011220947 [0,0,0,0,0,1|2,0,1]=4 4667 B11R0.46 CSCCNC(=O)CC=C(C)C 240690a_100020590264_100011220947 [0,0,0,0,0,1|2,0,1]=4 4668 B11R0.46 CSCCNC(=O)CC=C(C)C 527a_100020590264_100011220947 [0,0,0,0,0,1|2,0,1]=4 4669 B11R0.46 CSCCNC(=O)CCC(C)C 11a_100020590264_100000181311 [0,0,0,0,0,1|2,0,0]=3 4670 B11R0.46 CSCCNC(=O)CCC(C)C 1626a_100020590264_100000181311 [0,0,0,0,0,1|2,0,0]=3 4671 B11R0.46 CSCCNC(=O)CCC(C)C 240690a_100020590264_100000181311 [0,0,0,0,0,1|2,0,0]=3 4672 B11R0.46 CSCCNC(=O)CCC(C)C 527a_100020590264_100000181311 [0,0,0,0,0,1|2,0,0]=3 4673 B11R0.46 CSCCNC(=O)CCC(C)O 1626a_100020590264_100000718519 [0,0,0,0,0,1|3,0,0]=4 4674 B11R0.46 CSCCNC(=O)CCN(C)C 11a_100020590264_100000689311 [0,0,0,0,0,1|3,0,0]=4 4675 B11R0.46 CSCCNC(=O)CCN(C)C 240690a_100020590264_100000689311 [0,0,0,0,0,1|3,0,0]=4 4676 B11R0.46 CSCCNC(=O)CCN(C)C 527a_100020590264_100000689311 [0,0,0,0,0,1|3,0,0]=4 4677 B11R0.46 CSCCNC(=O)CC[S+](C)C 11a_100020590264_100009452791 [0,0,0,0,0,1|3,0,0]=4 4678 B11R0.46 CSCCNC(=O)CC[S+](C)C 1626a_100020590264_100009452791 [0,0,0,0,0,1|3,0,0]=4 4679 B11R0.46 CSCCNC(=O)CC[S+](C)C 240690a_100020590264_100009452791 [0,0,0,0,0,1|3,0,0]=4 4680 B11R0.46 CSCCNC(=O)COC(C)C 11a_100020590264_100000745533 [0,0,0,0,0,1|2,0,0]=3 4681 B11R0.46 CSCCNC(=O)COC(C)C 1626a_100020590264_100000745533 [0,0,0,0,0,1|2,0,0]=3 4682 B11R0.46 CSCCNC(=O)COC(C)C 240690a_100020590264_100000745533 [0,0,0,0,0,1|2,0,0]=3 4683 B11R0.46 CSCCNC(=O)COC(C)C 527a_100020590264_100000745533 [0,0,0,0,0,1|2,0,0]=3 4684 B11R0.46 CSCCNC(=O)CSC(C)C 11a_100020590264_100000241585 [0,0,0,0,0,1|2,0,0]=3 4685 B11R0.46 CSCCNC(=O)CSC(C)C 1626a_100020590264_100000241585 [0,0,0,0,0,1|2,0,0]=3 4686 B11R0.46 CSCCNC(=O)CSC(C)C 240690a_100020590264_100000241585 [0,0,0,0,0,1|2,0,0]=3 4687 B11R0.46 CSCCNC(=O)CSC(C)C 527a_100020590264_100000241585 [0,0,0,0,0,1|2,0,0]=3 4688 B11R0.46 CSCCNC(=O)NCC(C)C 2708a_100000210953_100020590264 [0,0,0,0,0,1|2,0,0]=3 4689 B11R0.46 CSCCNC(=O)NCC(C)C 2708a_100020590264_100000210953 [0,0,0,0,0,1|2,0,0]=3 4690 B11R0.46 CSCCNC(=O)NCC(C)C 273464a_100000210953_100020590264 [0,0,0,0,0,1|2,0,0]=3 4691 B11R0.46 CSCCNC(=O)NCC(C)C 273464a_100020590264_100000210953 [0,0,0,0,0,1|2,0,0]=3 4692 B11R0.46 CSCCNC(=O)NCC(C)C 512a_100000210953_100020590264 [0,0,0,0,0,1|2,0,0]=3 4693 B11R0.46 CSCCNC(=O)NCC(C)C 512a_100020590264_100000210953 [0,0,0,0,0,1|2,0,0]=3 4694 B11R0.46 CSCCNC(=O)NCC(C)O 2708a_100020590264_100000210904 [0,0,0,0,0,1|3,0,0]=4 4695 B11R0.46 CSCCNC(=O)NCC(C)O 273464a_100000210904_100020590264 [0,0,0,0,0,1|3,0,0]=4 4696 B11R0.46 CSCCNC(=O)NCC(C)O 273464a_100020590264_100000210904 [0,0,0,0,0,1|3,0,0]=4 4697 B11R0.46 CSCCNC(=O)NCC(C)O 512a_100000210904_100020590264 [0,0,0,0,0,1|3,0,0]=4 4698 B11R0.46 CSCCNC(=O)NCC(C)O 512a_100020590264_100000210904 [0,0,0,0,0,1|3,0,0]=4 4699 B11R0.46 CSCCNC(=O)NNC(C)C 273464a_100020590264_100000741168 [0,0,0,0,0,1|3,0,0]=4 4700 B11R0.46 CSCCNC(=O)NNC(C)C 512a_100000741168_100020590264 [0,0,0,0,0,1|3,0,0]=4 4701 B11R0.46 CSCCNC(=O)NNC(C)C 512a_100020590264_100000741168 [0,0,0,0,0,1|3,0,0]=4 4702 B11R0.46 CSCCOC(C)CCC(C)C 34a_100000230434_100011261404 [0,0,0,0,0,1|2,0,1]=4 4703 B11R0.46 CSCCOC(C)CCC(C)C 34a_100011215350_100000212216 [0,0,0,0,0,1|2,0,1]=4 4704 B11R0.46 CSCCOC(C)CCC(C)C 7a_100011215350_100000212216 [0,0,0,0,0,1|2,0,1]=4 4705 B11R0.46 CSCSCC(=O)NCC(C)C 62a_100000183291_100011218213 [0,0,0,0,0,1|3,0,0]=4 4706 B11R0.46 CSCSCC(=O)NCC(C)C 62a_100011218213_100000183291 [0,0,0,0,0,1|3,0,0]=4 4707 B11R0.46 C[S+](C)CCC(=O)CCCCF 1458a_100009452791_100000729493 [0,0,0,0,0,1|3,0,0]=4 4708 B11R0.46 C[S+](C)CCC(=O)CCCCO 1458a_100009452791_100000210776 [0,0,0,0,0,1|3,0,0]=4 4709 B11R0.46 C[S+](C)CCC(=O)NCCCF 11a_100015189416_100009452791 [0,0,0,0,0,1|3,0,0]=4 4710 B11R0.46 C[S+](C)CCC(=O)NCCCF 1626a_100015189416_100009452791 [0,0,0,0,0,1|3,0,0]=4 4711 B11R0.46 C[S+](C)CCC(=O)NCCCF 240690a_100015189416_100009452791 [0,0,0,0,0,1|3,0,0]=4 4712 B11R0.46 C[S+](C)CCC(=O)NCCCO 240690a_100000182051_100009452791 [0,0,0,0,0,1|3,0,0]=4 4713 B8R0.4 CCC/C=C/COCC 34a_100016278788_100000210202 [2,0,0,0,0,0|2,0,0]=4 4714 B8R0.4 CCC/C=C/COCC 7a_100016278788_100000210202 [2,0,0,0,0,0|2,0,0]=4 4715 B8R0.4 CCCC/C=C/COC 34a_200016272032_200000210301 [2,0,0,0,0,0|2,0,0]=4 4716 B8R0.4 CCCC/C=C/COC 7a_200016272032_200000210301 [2,0,0,0,0,0|2,0,0]=4 4717 B8R0.4 CCCC/C=C/CO[13CH3] 34a_200016272032_200025704644 [2,0,0,0,0,0|2,0,0]=4 4718 B8R0.4 CCCC/C=C/CO[13CH3] 7a_200016272032_200025704644 [2,0,0,0,0,0|2,0,0]=4 4719 B8R0.4 CCCC=NNCCC 4a_100000740057_100000185831 [2,0,0,0,0,0|2,0,0]=4 4720 B8R0.4 CCCCCNCCC 2230a_100000209983_100000210303 [2,0,0,0,0,0|2,0,0]=4 4721 B8R0.4 CCCCCOCCC 34a_100000210253_100000210303 [2,0,0,0,0,0|2,0,0]=4 4722 B8R0.4 CCCCCOCCC 34a_100000210258_100000718602 [2,0,0,0,0,0|2,0,0]=4 4723 B8R0.4 CCCCCOCCC 7a_100000210253_100000210303 [2,0,0,0,0,0|2,0,0]=4 4724 B8R0.4 CCCCCSCCC 62a_100000210303_100000210326 [2,0,0,0,0,0|2,0,0]=4 4725 B8R0.4 CCCCCSCCC 62a_100000210326_100000210303 [2,0,0,0,0,0|2,0,0]=4 4726 B8R0.4 CCCCNCCCC 2230a_100000102301_100000210211 [2,0,0,0,0,0|1,0,1]=4 4727 B8R0.4 CCCCNCCCC 7a_106832991798_100000210211 [2,0,0,0,0,0|1,0,1]=4 4728 B8R0.4 CCCCOCCCBr 34a_100011217188_100000210210 [2,0,0,0,0,0|1,0,1]=4 4729 B8R0.4 CCCCOCCCC 34a_100000210227_100000210210 [2,0,0,0,0,0|0,0,1]=3 4730 B8R0.4 CCCCOCCCC 7a_100000210227_100000210211 [2,0,0,0,0,0|0,0,1]=3 4731 B8R0.4 CCCCOCCCCl 34a_100000230001_100000210210 [2,0,0,0,0,0|1,0,1]=4 4732 B8R0.4 CCCCOCCCF 34a_100000210227_100011934791 [2,0,0,0,0,0|1,0,1]=4 4733 B8R0.4 CCCCOCCCF 34a_100000759539_100000210210 [2,0,0,0,0,0|1,0,1]=4 4734 B8R0.4 CCCCOCCCF 7a_100000210227_100011934791 [2,0,0,0,0,0|1,0,1]=4 4735 B8R0.4 CCCCOCCCN 34a_100000182051_100000210210 [2,0,0,0,0,0|1,0,1]=4 4736 B8R0.4 CCCCOCCCO 34a_100000210227_100000230001 [2,0,0,0,0,0|1,0,1]=4 4737 B8R0.4 CCCCOCCCO 7a_100000210227_100011215043 [2,0,0,0,0,0|1,0,1]=4 4738 B8R0.4 CCCCOCCNC 2230a_106832991635_100000743108 [2,0,0,0,0,0|1,0,1]=4 4739 B8R0.4 CCCCOCCNC 34a_100102657272_100000743108 [2,0,0,0,0,0|1,0,1]=4 4740 B8R0.4 CCCCOCCNC 7a_106832991635_100000743108 [2,0,0,0,0,0|1,0,1]=4 4741 B8R0.4 CCCCOCCOC 34a_100000210227_100011201679 [2,0,0,0,0,0|1,0,1]=4 4742 B8R0.4 CCCCOCCOC 34a_100000210237_100000210210 [2,0,0,0,0,0|1,0,1]=4 4743 B8R0.4 CCCCOCCOC 34a_100000210238_200000210301 [2,0,0,0,0,0|1,0,1]=4 4744 B8R0.4 CCCCOCCOC 34a_100138415774_100000743108 [2,0,0,0,0,0|1,0,1]=4 4745 B8R0.4 CCCCOCCOC 7a_100000210227_100000233755 [2,0,0,0,0,0|1,0,1]=4 4746 B8R0.4 CCCCOCCOC 7a_100000210238_200000210301 [2,0,0,0,0,0|1,0,1]=4 4747 B8R0.4 CCCCOCCO[13CH3] 34a_100000210238_200025704644 [2,0,0,0,0,0|1,0,1]=4 4748 B8R0.4 CCCCOCCO[13CH3] 7a_100000210238_200025704644 [2,0,0,0,0,0|1,0,1]=4 4749 B8R0.4 CCCCOCCSC 34a_100000210227_100000212216 [2,0,0,0,0,0|1,0,1]=4 4750 B8R0.4 CCCCOCCSC 34a_100000230434_100000210210 [2,0,0,0,0,0|1,0,1]=4 4751 B8R0.4 CCCCOCCSC 62a_100000743108_200000210301 [2,0,0,0,0,0|1,0,1]=4 4752 B8R0.4 CCCCOCCSC 62a_200000210301_100000743108 [2,0,0,0,0,0|1,0,1]=4 4753 B8R0.4 CCCCOCCSC 7a_100000210227_100000212216 [2,0,0,0,0,0|1,0,1]=4 4754 B8R0.4 CCCCOCCSC 7a_100000230434_100000210211 [2,0,0,0,0,0|1,0,1]=4 4755 B8R0.4 CCCCOCCS[13CH3] 62a_100000743108_200025704644 [2,0,0,0,0,0|1,0,1]=4 4756 B8R0.4 CCCCOCCS[13CH3] 62a_200025704644_100000743108 [2,0,0,0,0,0|1,0,1]=4 4757 B8R0.4 CCCCOCNCC 2230a_100015525214_100011995733 [2,0,0,0,0,0|1,0,1]=4 4758 B8R0.4 CCCCOCOCC 34a_100121572206_100011995733 [2,0,0,0,0,0|1,0,1]=4 4759 B8R0.4 CCCCOCSCC 62a_100000210202_100011995733 [2,0,0,0,0,0|1,0,1]=4 4760 B8R0.4 CCCCOCSCC 62a_100011995733_100000210202 [2,0,0,0,0,0|1,0,1]=4 4761 B8R0.4 CCCCSCCCC 62a_100000210211_100000210210 [2,0,0,0,0,0|0,1,1]=4 4762 B8R0.7 C#CCCOCC(C)C 34a_100000210257_100000688953 [2,0,0,0,0,0|0,0,2]=4 4763 B8R0.7 C#CCCOCC(C)C 34a_100011215631_100000210624 [2,0,0,0,0,0|0,0,2]=4 4764 B8R0.7 C/C=C/COCC(C)C 34a_100000210257_100102629194 [2,0,0,0,0,0|0,0,2]=4 4765 B8R0.7 C/C=C/COCC(C)C 34a_100016270725_100000210624 [2,0,0,0,0,0|0,0,2]=4 4766 B8R0.7 C=C(C)COCCCC 34a_100000210227_100000748629 [2,0,0,0,0,0|0,0,2]=4 4767 B8R0.7 C=C(C)COCCCC 34a_100000210245_100000210210 [2,0,0,0,0,0|0,0,2]=4 4768 B8R0.7 C=C(C)COCCCC 7a_100000210227_100000748629 [2,0,0,0,0,0|0,0,2]=4 4769 B8R0.7 C=CCCOCC(C)C 34a_100000210257_100000754431 [2,0,0,0,0,0|0,0,2]=4 4770 B8R0.7 C=CCCOCC(C)C 34a_100011205117_100000210624 [2,0,0,0,0,0|0,0,2]=4 4771 B8R0.7 CC#CCOCC(C)C 34a_100000210257_100000748600 [2,0,0,0,0,0|0,0,2]=4 4772 B8R0.7 CC#CCOCC(C)C 34a_100000761923_100000210624 [2,0,0,0,0,0|0,0,2]=4 4773 B8R0.7 CC(Br)COCCCF 34a_100012180447_100011934791 [2,0,0,0,0,0|2,0,0]=4 4774 B8R0.7 CC(Br)COCCCO 34a_100012180447_100000230001 [2,0,0,0,0,0|2,0,0]=4 4775 B8R0.7 CC(C)CCCCO[13CH3] 34a_100011214890_200025704644 [2,0,0,0,0,0|1,0,1]=4 4776 B8R0.7 CC(C)CCCCO[13CH3] 7a_100011214890_200025704644 [2,0,0,0,0,0|1,0,1]=4 4777 B8R0.7 CC(C)CCCCS[13CH3] 62a_100011216152_200025704644 [2,0,0,0,0,0|1,0,1]=4 4778 B8R0.7 CC(C)CCCCS[13CH3] 62a_200025704644_100011216152 [2,0,0,0,0,0|1,0,1]=4 4779 B8R0.7 CC(C)CCOCCBr 34a_100000211926_100000210312 [2,0,0,0,0,0|1,0,1]=4 4780 B8R0.7 CC(C)CCOCCF 34a_100000210254_100011217306 [2,0,0,0,0,0|1,0,1]=4 4781 B8R0.7 CC(C)CCOCCF 7a_100000210254_100011217306 [2,0,0,0,0,0|1,0,1]=4 4782 B8R0.7 CC(C)CCOCCN 34a_100000210304_100000210312 [2,0,0,0,0,0|1,0,1]=4 4783 B8R0.7 CC(C)CCOCCO 34a_100000210254_100000211926 [2,0,0,0,0,0|1,0,1]=4 4784 B8R0.7 CC(C)CCOCCO 7a_100000210254_100000211926 [2,0,0,0,0,0|1,0,1]=4 4785 B8R0.7 CC(C)CNCCCF 2230a_100000210953_100011934791 [2,0,0,0,0,0|2,0,0]=4 4786 B8R0.7 CC(C)CNCCCF 2230a_100015189416_100000210760 [2,0,0,0,0,0|2,0,0]=4 4787 B8R0.7 CC(C)CNCCCF 270004a_100015189416_100000210432 [2,0,0,0,0,0|2,0,0]=4 4788 B8R0.7 CC(C)CNCCCF 34a_100000210953_100011934791 [2,0,0,0,0,0|2,0,0]=4 4789 B8R0.7 CC(C)CNCCCF 34a_100015189416_100000210624 [2,0,0,0,0,0|2,0,0]=4 4790 B8R0.7 CC(C)CNCCCO 2230a_100000210953_100000230001 [2,0,0,0,0,0|2,0,0]=4 4791 B8R0.7 CC(C)CNCCCO 270004a_100000182051_100000210432 [2,0,0,0,0,0|2,0,0]=4 4792 B8R0.7 CC(C)CNCCCO 34a_100000210953_100000230001 [2,0,0,0,0,0|2,0,0]=4 4793 B8R0.7 CC(C)CNCCO[13CH3] 34a_100015185251_200025704644 [2,0,0,0,0,0|2,0,0]=4 4794 B8R0.7 CC(C)COCCCBr 34a_100011217188_100000210624 [2,0,0,0,0,0|1,0,0]=3 4795 B8R0.7 CC(C)COCCCCl 34a_100000230001_100000210624 [2,0,0,0,0,0|1,0,0]=3 4796 B8R0.7 CC(C)COCCCF 34a_100000210257_100011934791 [2,0,0,0,0,0|1,0,0]=3 4797 B8R0.7 CC(C)COCCCF 34a_100000759539_100000210624 [2,0,0,0,0,0|1,0,0]=3 4798 B8R0.7 CC(C)COCCCN 34a_100000182051_100000210624 [2,0,0,0,0,0|1,0,0]=3 4799 B8R0.7 CC(C)COCCCO 34a_100000210257_100000230001 [2,0,0,0,0,0|1,0,0]=3 4800 B8R0.7 CC(C)COCCON 34a_100000700252_100000210624 [2,0,0,0,0,0|2,0,0]=4 4801 B8R0.7 CC(C)COCCO[13CH3] 34a_100000703358_200025704644 [2,0,0,0,0,0|1,0,0]=3 4802 B8R0.7 CC(C)COCCO[13CH3] 7a_100000703358_200025704644 [2,0,0,0,0,0|1,0,0]=3 4803 B8R0.7 CC(C)CSCCCF 62a_100000210624_100011934791 [2,0,0,0,0,0|1,1,0]=4 4804 B8R0.7 CC(C)CSCCCF 62a_100011934791_100000210760 [2,0,0,0,0,0|1,1,0]=4 4805 B8R0.7 CC(C)CSCCCO 62a_100000210624_100011215043 [2,0,0,0,0,0|1,1,0]=4 4806 B8R0.7 CC(C)CSCCCO 62a_100011215043_100000210760 [2,0,0,0,0,0|1,1,0]=4 4807 B8R0.7 CC(C)CSCCO[13CH3] 34a_200000230437_200025704644 [2,0,0,0,0,0|1,1,0]=4 4808 B8R0.7 CC(C)CSCCO[13CH3] 7a_200000230437_200025704644 [2,0,0,0,0,0|1,1,0]=4 4809 B8R0.7 CC(F)COCCCF 34a_100015925927_100011934791 [2,0,0,0,0,0|2,0,0]=4 4810 B8R0.7 CC(F)COCCCO 34a_100015925927_100000230001 [2,0,0,0,0,0|2,0,0]=4 4811 B8R0.7 CC(O)COCCCBr 34a_100011217188_100011218427 [2,0,0,0,0,0|2,0,0]=4 4812 B8R0.7 CC(O)COCCCCl 34a_100000230001_100011218427 [2,0,0,0,0,0|2,0,0]=4 4813 B8R0.7 CC(O)COCCCF 34a_100000759539_100011218427 [2,0,0,0,0,0|2,0,0]=4 4814 B8R0.7 CC(O)COCCCN 34a_100000182051_100011218427 [2,0,0,0,0,0|2,0,0]=4 4815 B8R0.7 CC=CCOCC(C)C 34a_100000210257_100000070051 [2,0,0,0,0,0|0,0,2]=4 4816 B8R0.7 CCCCCCN(C)C 2230a_100102631434_100000210314 [2,0,0,0,0,0|1,0,1]=4 4817 B8R0.7 CCCCCCN(C)C 2230a_106256046315_200000210301 [2,0,0,0,0,0|1,0,1]=4 4818 B8R0.7 CCCCCCN(C)C 269982a_100102631434_100000210757 [2,0,0,0,0,0|1,0,1]=4 4819 B8R0.7 CCCCCCN(C)C 269982a_106256046315_200000210301 [2,0,0,0,0,0|1,0,1]=4 4820 B8R0.7 CCCCCCN(C)[13CH3] 2230a_106256046315_200025704644 [2,0,0,0,0,0|1,0,1]=4 4821 B8R0.7 CCCCCCN(C)[13CH3] 269982a_106256046315_200025704644 [2,0,0,0,0,0|1,0,1]=4 4822 B8R0.7 CCCCCNC(C)C 2230a_100000209983_100000210206 [2,0,0,0,0,0|1,0,1]=4 4823 B8R0.7 CCCCCNC(C)C 2230a_100138425928_100000210326 [2,0,0,0,0,0|1,0,1]=4 4824 B8R0.7 CCCCCNC(C)C 34a_100138425928_100000718602 [2,0,0,0,0,0|1,0,1]=4 4825 B8R0.7 CCCCCOC(C)C 34a_100000210253_100000210206 [2,0,0,0,0,0|1,0,1]=4 4826 B8R0.7 CCCCCOC(C)C 34a_100000212225_100000718602 [2,0,0,0,0,0|1,0,1]=4 4827 B8R0.7 CCCCCOC(C)C 7a_100000210253_100000210206 [2,0,0,0,0,0|1,0,1]=4 4828 B8R0.7 CCCCCSC(C)C 62a_100000210206_100000210326 [2,0,0,0,0,0|1,0,1]=4 4829 B8R0.7 CCCCCSC(C)C 62a_100000210326_100000210206 [2,0,0,0,0,0|1,0,1]=4 4830 B8R0.7 CCCCNCC(C)C 2230a_100000102301_100000210760 [2,0,0,0,0,0|1,0,0]=3 4831 B8R0.7 CCCCNCC(C)C 2230a_100000210953_100000210211 [2,0,0,0,0,0|1,0,0]=3 4832 B8R0.7 CCCCNCC(C)C 270004a_100000102301_100000210432 [2,0,0,0,0,0|1,0,0]=3 4833 B8R0.7 CCCCNCC(C)C 34a_100000210953_100000210210 [2,0,0,0,0,0|1,0,0]=3 4834 B8R0.7 CCCCNCC(C)C 7a_106832991798_100000210760 [2,0,0,0,0,0|1,0,0]=3 4835 B8R0.7 CCCCNCC(C)O 2230a_100000102301_100011218427 [2,0,0,0,0,0|2,0,0]=4 4836 B8R0.7 CCCCNCC(C)O 2230a_100000210904_100000210211 [2,0,0,0,0,0|2,0,0]=4 4837 B8R0.7 CCCCNCC(C)O 34a_100000210904_100000210210 [2,0,0,0,0,0|2,0,0]=4 4838 B8R0.7 CCCCNCC(C)O 7a_106832991798_100011218427 [2,0,0,0,0,0|2,0,0]=4 4839 B8R0.7 CCCCNC[C@@H](C)O 2230a_100000102301_100009817552 [2,0,0,0,0,0|2,0,0]=4 4840 B8R0.7 CCCCNC[C@@H](C)O 7a_106832991798_100009817552 [2,0,0,0,0,0|2,0,0]=4 4841 B8R0.7 CCCCOCC(=O)C 1458a_100000070787_100011995733 [2,0,0,0,0,0|1,0,1]=4 4842 B8R0.7 CCCCOCC(=O)C 1458a_100000757543_200000210301 [2,0,0,0,0,0|1,0,1]=4 4843 B8R0.7 CCCCOCC(=O)C 34a_100000211253_100000210210 [2,0,0,0,0,0|1,0,1]=4 4844 B8R0.7 CCCCOCC(=O)[13CH3] 1458a_100000757543_200025704644 [2,0,0,0,0,0|1,0,1]=4 4845 B8R0.7 CCCCOCC(C)Br 34a_100012180447_100000210210 [2,0,0,0,0,0|1,0,0]=3 4846 B8R0.7 CCCCOCC(C)C 34a_100000210227_100000210624 [2,0,0,0,0,0|0,0,0]=2 4847 B8R0.7 CCCCOCC(C)C 34a_100000210257_100000210210 [2,0,0,0,0,0|0,0,0]=2 4848 B8R0.7 CCCCOCC(C)C 7a_100000210227_100000210760 [2,0,0,0,0,0|0,0,0]=2 4849 B8R0.7 CCCCOCC(C)F 34a_100015925927_100000210210 [2,0,0,0,0,0|1,0,0]=3 4850 B8R0.7 CCCCOCC(C)O 34a_100000210227_100011218427 [2,0,0,0,0,0|1,0,0]=3 4851 B8R0.7 CCCCOCC(C)O 7a_100000210227_100011218427 [2,0,0,0,0,0|1,0,0]=3 4852 B8R0.7 CCCCOCC(F)F 34a_100000210227_100011934356 [2,0,0,0,0,0|2,0,0]=4 4853 B8R0.7 CCCCOCC(F)F 34a_100000743014_100000210210 [2,0,0,0,0,0|2,0,0]=4 4854 B8R0.7 CCCCOCC(F)F 7a_100000210227_100011934356 [2,0,0,0,0,0|2,0,0]=4 4855 B8R0.7 CCCCOCN(C)C 2230a_100102631434_100011995733 [2,0,0,0,0,0|1,0,0]=3 4856 B8R0.7 CCCCOCN(C)C 269982a_100102631434_100011995733 [2,0,0,0,0,0|1,0,0]=3 4857 B8R0.7 CCCCOC[C@@H](C)Cl 34a_100016084084_100000210210 [2,0,0,0,0,0|1,0,0]=3 4858 B8R0.7 CCCCOC[C@@H](C)N 34a_100000737577_100000210210 [2,0,0,0,0,0|1,0,0]=3 4859 B8R0.7 CCCCOC[C@@H](C)O 34a_100000210227_100009817552 [2,0,0,0,0,0|1,0,0]=3 4860 B8R0.7 CCCCOC[C@@H](C)O 7a_100000210227_100009817552 [2,0,0,0,0,0|1,0,0]=3 4861 B8R0.7 CCCCSCC(C)C 62a_100000210211_100000210760 [2,0,0,0,0,0|0,1,0]=3 4862 B8R0.7 CCCCSCC(C)C 62a_100000210624_100000210210 [2,0,0,0,0,0|0,1,0]=3 4863 B8R0.7 CCCCSCC(C)O 62a_100000210211_100011218427 [2,0,0,0,0,0|1,1,0]=4 4864 B8R0.7 CCCCSCC(C)O 62a_100011218427_100000210210 [2,0,0,0,0,0|1,1,0]=4 4865 B8R0.7 CCCCSC[C@@H](C)O 62a_100000210211_100009817552 [2,0,0,0,0,0|1,1,0]=4 4866 B8R0.7 CCCCSC[C@@H](C)O 62a_100009817552_100000210210 [2,0,0,0,0,0|1,1,0]=4 4867 B8R0.7 CCCNCCC(C)C 269862a_100020643023_100000185833 [2,0,0,0,0,0|1,0,1]=4 4868 B8R0.7 CCCNN=CC(C)C 4a_100000740057_100000210432 [2,0,0,0,0,0|2,0,0]=4 4869 B8R0.7 CCCOCCC(C)Br 34a_100009893172_100000210303 [2,0,0,0,0,0|1,0,1]=4 4870 B8R0.7 CCCOCCC(C)C 34a_100000210254_100000210303 [2,0,0,0,0,0|0,0,1]=3 4871 B8R0.7 CCCOCCC(C)C 34a_100000210258_100000210312 [2,0,0,0,0,0|0,0,1]=3 4872 B8R0.7 CCCOCCC(C)C 7a_100000210254_100000210303 [2,0,0,0,0,0|0,0,1]=3 4873 B8R0.7 CCCOCCC(C)O 34a_100000210258_100012276601 [2,0,0,0,0,0|1,0,1]=4 4874 B8R0.7 CCCOCCN(C)C 2230a_100102631434_100011215938 [2,0,0,0,0,0|1,0,1]=4 4875 B8R0.7 CCCOCCN(C)C 269982a_100102631434_100011215938 [2,0,0,0,0,0|1,0,1]=4 4876 B8R0.7 CCCOCC[C@@H](C)N 34a_100000706166_100000210303 [2,0,0,0,0,0|1,0,1]=4 4877 B8R0.7 CCCOCOC(C)C 34a_100000210258_100000709892 [2,0,0,0,0,0|1,0,1]=4 4878 B8R0.7 CCCSCCC(C)C 62a_100000210303_100000210312 [2,0,0,0,0,0|0,1,1]=4 4879 B8R0.7 CCCSCCC(C)C 62a_100000210312_100000210303 [2,0,0,0,0,0|0,1,1]=4 4880 B8R0.7 CCNCCCC(C)C 2230a_100015525214_100011214892 [2,0,0,0,0,0|1,0,1]=4 4881 B8R0.7 CCNCCCC(C)C 2230a_200000737386_100000210202 [2,0,0,0,0,0|1,0,1]=4 4882 B8R0.7 CCNCCCC(C)C 34a_200000737386_100000210202 [2,0,0,0,0,0|1,0,1]=4 4883 B8R0.7 CCNN=CCC(C)C 4a_100000756455_100000185833 [2,0,0,0,0,0|2,0,0]=4 4884 B8R0.7 CCOCCCC(C)C 34a_100000210774_100000210202 [2,0,0,0,0,0|1,0,1]=4 4885 B8R0.7 CCOCCCC(C)C 34a_100121572206_100011214892 [2,0,0,0,0,0|1,0,1]=4 4886 B8R0.7 CCOCCCC(C)C 7a_100000210774_100000210202 [2,0,0,0,0,0|1,0,1]=4 4887 B8R0.7 CCOCSCC(C)C 62a_100000210624_100000739092 [2,0,0,0,0,0|1,1,0]=4 4888 B8R0.7 CCOCSCC(C)C 62a_100000739092_100000210760 [2,0,0,0,0,0|1,1,0]=4 4889 B8R0.7 CCSCCCC(C)C 62a_100000210202_100011214892 [2,0,0,0,0,0|1,0,1]=4 4890 B8R0.7 CCSCCCC(C)C 62a_100011214892_100000210202 [2,0,0,0,0,0|1,0,1]=4 4891 B8R0.7 CNCCCCC(C)C 2230a_106832991635_100011216152 [2,0,0,0,0,0|1,0,1]=4 4892 B8R0.7 CNCCCCC(C)C 34a_100102657272_100011216152 [2,0,0,0,0,0|1,0,1]=4 4893 B8R0.7 CNCCCCC(C)C 7a_106832991635_100011216152 [2,0,0,0,0,0|1,0,1]=4 4894 B8R0.7 COCCCCC(C)C 34a_100011214890_200000210301 [2,0,0,0,0,0|1,0,1]=4 4895 B8R0.7 COCCCCC(C)C 34a_100138415774_100011216152 [2,0,0,0,0,0|1,0,1]=4 4896 B8R0.7 COCCCCC(C)C 7a_100011214890_200000210301 [2,0,0,0,0,0|1,0,1]=4 4897 B8R0.7 COCCNCC(C)C 2230a_100000209980_100000210760 [2,0,0,0,0,0|2,0,0]=4 4898 B8R0.7 COCCNCC(C)C 2230a_100000210953_100011201679 [2,0,0,0,0,0|2,0,0]=4 4899 B8R0.7 COCCNCC(C)C 270004a_100000209980_100000210432 [2,0,0,0,0,0|2,0,0]=4 4900 B8R0.7 COCCNCC(C)C 34a_100000210953_100011201679 [2,0,0,0,0,0|2,0,0]=4 4901 B8R0.7 COCCNCC(C)C 34a_100015185251_200000210301 [2,0,0,0,0,0|2,0,0]=4 4902 B8R0.7 COCCOCC(C)Br 34a_100012180447_100011201679 [2,0,0,0,0,0|2,0,0]=4 4903 B8R0.7 COCCOCC(C)C 34a_100000210237_100000210624 [2,0,0,0,0,0|1,0,0]=3 4904 B8R0.7 COCCOCC(C)C 34a_100000210257_100011201679 [2,0,0,0,0,0|1,0,0]=3 4905 B8R0.7 COCCOCC(C)C 34a_100000703358_200000210301 [2,0,0,0,0,0|1,0,0]=3 4906 B8R0.7 COCCOCC(C)C 7a_100000703358_200000210301 [2,0,0,0,0,0|1,0,0]=3 4907 B8R0.7 COCCOCC(C)F 34a_100015925927_100011201679 [2,0,0,0,0,0|2,0,0]=4 4908 B8R0.7 COCCOCC(C)O 34a_100000210237_100011218427 [2,0,0,0,0,0|2,0,0]=4 4909 B8R0.7 COCCOCN(C)C 2230a_100102631434_100000231047 [2,0,0,0,0,0|2,0,0]=4 4910 B8R0.7 COCCOCN(C)C 269982a_100102631434_100000231047 [2,0,0,0,0,0|2,0,0]=4 4911 B8R0.7 COCCOC[C@@H](C)Cl 34a_100016084084_100011201679 [2,0,0,0,0,0|2,0,0]=4 4912 B8R0.7 COCCOC[C@@H](C)N 34a_100000737577_100011201679 [2,0,0,0,0,0|2,0,0]=4 4913 B8R0.7 COCCOC[C@@H](C)O 34a_100000210237_100009817552 [2,0,0,0,0,0|2,0,0]=4 4914 B8R0.7 COCCSCC(C)C 34a_200000230437_200000210301 [2,0,0,0,0,0|1,1,0]=4 4915 B8R0.7 COCCSCC(C)C 62a_100000210624_100000233755 [2,0,0,0,0,0|1,1,0]=4 4916 B8R0.7 COCCSCC(C)C 62a_100000233755_100000210760 [2,0,0,0,0,0|1,1,0]=4 4917 B8R0.7 COCCSCC(C)C 7a_200000230437_200000210301 [2,0,0,0,0,0|1,1,0]=4 4918 B8R0.7 CSCCCCC(C)C 62a_100011216152_200000210301 [2,0,0,0,0,0|1,0,1]=4 4919 B8R0.7 CSCCCCC(C)C 62a_200000210301_100011216152 [2,0,0,0,0,0|1,0,1]=4 4920 B8R0.7 CSCCNCC(C)C 2230a_100000210953_100000751147 [2,0,0,0,0,0|2,0,0]=4 4921 B8R0.7 CSCCNCC(C)C 2230a_100020590264_100000210760 [2,0,0,0,0,0|2,0,0]=4 4922 B8R0.7 CSCCNCC(C)C 270004a_100020590264_100000210432 [2,0,0,0,0,0|2,0,0]=4 4923 B8R0.7 CSCCNCC(C)C 34a_100000210953_100000212216 [2,0,0,0,0,0|2,0,0]=4 4924 B8R0.7 CSCCOCC(C)Br 34a_100012180447_100000212216 [2,0,0,0,0,0|2,0,0]=4 4925 B8R0.7 CSCCOCC(C)C 34a_100000210257_100000212216 [2,0,0,0,0,0|1,0,0]=3 4926 B8R0.7 CSCCOCC(C)C 34a_100000230434_100000210624 [2,0,0,0,0,0|1,0,0]=3 4927 B8R0.7 CSCCOCC(C)C 7a_100000230434_100000210760 [2,0,0,0,0,0|1,0,0]=3 4928 B8R0.7 CSCCOCC(C)F 34a_100015925927_100000212216 [2,0,0,0,0,0|2,0,0]=4 4929 B8R0.7 CSCCOCC(C)O 34a_100000230434_100011218427 [2,0,0,0,0,0|2,0,0]=4 4930 B8R0.7 CSCCOCC(C)O 7a_100000230434_100011218427 [2,0,0,0,0,0|2,0,0]=4 4931 B8R0.7 CSCCOC[C@@H](C)Cl 34a_100016084084_100000212216 [2,0,0,0,0,0|2,0,0]=4 4932 B8R0.7 CSCCOC[C@@H](C)N 34a_100000737577_100000212216 [2,0,0,0,0,0|2,0,0]=4 4933 B8R0.7 CSCCOC[C@@H](C)O 34a_100000230434_100009817552 [2,0,0,0,0,0|2,0,0]=4 4934 B8R0.7 CSCCOC[C@@H](C)O 7a_100000230434_100009817552 [2,0,0,0,0,0|2,0,0]=4 4935 B8R0.7 CSCCSCC(C)C 62a_100000210624_100000751147 [2,0,0,0,0,0|1,1,0]=4 4936 B8R0.7 CSCCSCC(C)C 62a_100000212216_100000210760 [2,0,0,0,0,0|1,1,0]=4 4937 B8R0.7 CSCOCCC(C)C 34a_100000210254_100011218213 [2,0,0,0,0,0|1,0,1]=4 4938 B8R0.7 C[C@@H](Cl)COCCCF 34a_100016084084_100011934791 [2,0,0,0,0,0|2,0,0]=4 4939 B8R0.7 C[C@@H](Cl)COCCCO 34a_100016084084_100000230001 [2,0,0,0,0,0|2,0,0]=4 4940 B8R0.7 C[C@@H](N)COCCCF 34a_100000737577_100011934791 [2,0,0,0,0,0|2,0,0]=4 4941 B8R0.7 C[C@@H](N)COCCCO 34a_100000737577_100000230001 [2,0,0,0,0,0|2,0,0]=4 4942 B8R0.7 C[C@@H](O)COCCCBr 34a_100011217188_100009817552 [2,0,0,0,0,0|2,0,0]=4 4943 B8R0.7 C[C@@H](O)COCCCCl 34a_100000230001_100009817552 [2,0,0,0,0,0|2,0,0]=4 4944 B8R0.7 C[C@@H](O)COCCCF 34a_100000759539_100009817552 [2,0,0,0,0,0|2,0,0]=4 4945 B8R0.7 C[C@@H](O)COCCCN 34a_100000182051_100009817552 [2,0,0,0,0,0|2,0,0]=4 4946 B8R0.1 C#CCC(=O)CCCC 1458a_100000210183_100000184674 [2,0,0,0,0,0|0,0,2]=4 4947 B8R0.1 C#CCC(=O)CCCC 1458a_100011220946_100000210211 [2,0,0,0,0,0|0,0,2]=4 4948 B8R0.1 C#CCCC(=O)CCC 1458a_100000211992_100000753159 [2,0,0,0,0,0|0,0,2]=4 4949 B8R0.1 C#CCCC(=O)CCC 1458a_100000692101_100000210303 [2,0,0,0,0,0|0,0,2]=4 4950 B8R0.1 C/C=C/CC(=O)CCC 1458a_100000211992_100102629194 [2,0,0,0,0,0|0,0,2]=4 4951 B8R0.1 C=CCC(=O)CCCC 1458a_100000210183_100000210623 [2,0,0,0,0,0|0,0,2]=4 4952 B8R0.1 C=CCC(=O)CCCC 1458a_100000210193_100000210211 [2,0,0,0,0,0|0,0,2]=4 4953 B8R0.1 C=CCCC(=O)CCC 1458a_100000211992_100000754431 [2,0,0,0,0,0|0,0,2]=4 4954 B8R0.1 C=CCCC(=O)CCC 1458a_100000749702_100000210303 [2,0,0,0,0,0|0,0,2]=4 4955 B8R0.1 CC#CC(=O)CCCC 1458a_100000763181_100000210211 [2,0,0,0,0,0|0,0,2]=4 4956 B8R0.1 CC#CCC(=O)CCC 1458a_100000211992_100000748600 [2,0,0,0,0,0|0,0,2]=4 4957 B8R0.1 CC=CC(=O)CCCC 1458a_100000210699_100000210211 [2,0,0,0,0,0|0,0,2]=4 4958 B8R0.1 CC=CCC(=O)CCC 1458a_100000211992_100000070051 [2,0,0,0,0,0|0,0,2]=4 4959 B8R0.1 CC=CCC(=O)CCC 1458a_100121576822_100000210303 [2,0,0,0,0,0|0,0,2]=4 4960 B8R0.1 CCC#CC(=O)CCC 1458a_100011827653_100000210303 [2,0,0,0,0,0|0,0,2]=4 4961 B8R0.1 CCC=CC(=O)CCC 1458a_100000212282_100000210303 [2,0,0,0,0,0|0,0,2]=4 4962 B8R0.1 CCCC(=O)CCC#N 1458a_100000211992_100011215226 [2,0,0,0,0,0|1,0,1]=4 4963 B8R0.1 CCCC(=O)CCC#N 1458a_100011934036_100000210303 [2,0,0,0,0,0|1,0,1]=4 4964 B8R0.1 CCCC(=O)CCCF 1458a_100000211992_100011934791 [2,0,0,0,0,0|1,0,0]=3 4965 B8R0.1 CCCC(=O)CCCO 1458a_100000211992_100011215043 [2,0,0,0,0,0|1,0,0]=3 4966 B8R0.1 CCCC(=O)CCOC 1458a_100000211992_100000233755 [2,0,0,0,0,0|1,0,0]=3 4967 B8R0.1 CCCC(=O)CCOC 1458a_100000749529_100000210303 [2,0,0,0,0,0|1,0,0]=3 4968 B8R0.1 CCCC(=O)CCSC 1458a_100000174002_100000210303 [2,0,0,0,0,0|1,0,0]=3 4969 B8R0.1 CCCC(=O)CCSC 1458a_100000211992_100000751147 [2,0,0,0,0,0|1,0,0]=3 4970 B8R0.1 CCCC(=O)CNCC 2230a_100015525214_100000747444 [2,0,0,0,0,0|1,0,0]=3 4971 B8R0.1 CCCC(=O)COCC 1458a_100000211967_100000210303 [2,0,0,0,0,0|1,0,0]=3 4972 B8R0.1 CCCC(=O)CSCC 1458a_100000230394_100000210303 [2,0,0,0,0,0|1,0,0]=3 4973 B8R0.1 CCCC(=O)CSCC 62a_100000210202_100000747444 [2,0,0,0,0,0|1,0,0]=3 4974 B8R0.1 CCCC(=O)CSCC 62a_100000747444_100000210202 [2,0,0,0,0,0|1,0,0]=3 4975 B8R0.1 CCCC(=O)CSCF 62a_100000747444_100015361967 [2,0,0,0,0,0|2,0,0]=4 4976 B8R0.1 CCCC(=O)CSCF 62a_100015361967_100000747444 [2,0,0,0,0,0|2,0,0]=4 4977 B8R0.1 CCCC(=O)NCCF 11a_100000724931_100000211992 [2,0,0,0,0,0|2,0,0]=4 4978 B8R0.1 CCCC(=O)NCCF 1626a_100000724931_100000211992 [2,0,0,0,0,0|2,0,0]=4 4979 B8R0.1 CCCC(=O)NCCF 240690a_100000724931_100000211992 [2,0,0,0,0,0|2,0,0]=4 4980 B8R0.1 CCCC(=O)NCCF 527a_100000724931_100000211992 [2,0,0,0,0,0|2,0,0]=4 4981 B8R0.1 CCCC(=O)NCCO 240690a_100000210304_100000211992 [2,0,0,0,0,0|2,0,0]=4 4982 B8R0.1 CCCC(=O)NCCO 527a_100000210304_100000211992 [2,0,0,0,0,0|2,0,0]=4 4983 B8R0.1 CCCC(=O)NNCC 22a_100000756455_100000211992 [2,0,0,0,0,0|2,0,0]=4 4984 B8R0.1 CCCC(=O)OCNC 2230a_106832991635_100000034017 [2,0,0,0,0,0|1,0,0]=3 4985 B8R0.1 CCCC(=O)OCNC 34a_100102657272_100000034017 [2,0,0,0,0,0|1,0,0]=3 4986 B8R0.1 CCCC(=O)OCOC 34a_100138415774_100000034017 [2,0,0,0,0,0|1,0,0]=3 4987 B8R0.1 CCCC(=O)OCSC 62a_200000210301_100000034017 [2,0,0,0,0,0|1,0,0]=3 4988 B8R0.1 CCCC(=O)OCS[13CH3] 62a_200025704644_100000034017 [2,0,0,0,0,0|1,0,0]=3 4989 B8R0.1 CCCCC(=O)CC#N 1458a_100000210183_100011214920 [2,0,0,0,0,0|1,0,1]=4 4990 B8R0.1 CCCCC(=O)CC#N 1458a_100051588842_100000210211 [2,0,0,0,0,0|1,0,1]=4 4991 B8R0.1 CCCCC(=O)CCC 1458a_100000210183_100000210303 [2,0,0,0,0,0|0,0,0]=2 4992 B8R0.1 CCCCC(=O)CCC 1458a_100000211992_100000210211 [2,0,0,0,0,0|0,0,0]=2 4993 B8R0.1 CCCCC(=O)CCF 1458a_100000210183_100011217306 [2,0,0,0,0,0|1,0,0]=3 4994 B8R0.1 CCCCC(=O)CCO 1458a_100000210183_100000211926 [2,0,0,0,0,0|1,0,0]=3 4995 B8R0.1 CCCCC(=O)CCO 1458a_100011216618_100000210211 [2,0,0,0,0,0|1,0,0]=3 4996 B8R0.1 CCCCC(=O)COC 1458a_100000210968_100000210211 [2,0,0,0,0,0|1,0,0]=3 4997 B8R0.1 CCCCC(=O)CSC 1458a_100000184570_100000210211 [2,0,0,0,0,0|1,0,0]=3 4998 B8R0.1 CCCCC(=O)NCC 11a_100015525214_100000210183 [2,0,0,0,0,0|1,0,0]=3 4999 B8R0.1 CCCCC(=O)NCC 240690a_100015525214_100000210183 [2,0,0,0,0,0|1,0,0]=3 5000 B8R0.1 CCCCC(=O)NCC 527a_100015525214_100000210183 [2,0,0,0,0,0|1,0,0]=3 5001 B8R0.1 CCCCC(=O)NNC 22a_100016993582_100000210183 [2,0,0,0,0,0|2,0,0]=4 5002 B8R0.1 CCCCN(C)CCC 2230a_100000207549_100000210303 [2,0,0,0,0,0|2,0,0]=4 5003 B8R0.1 CCCCN(C)CCC 2230a_100000747261_100000210211 [2,0,0,0,0,0|2,0,0]=4 5004 B8R0.1 CCCCN(C)CCC 2230a_200000207744_200000210301 [2,0,0,0,0,0|2,0,0]=4 5005 B8R0.1 CCCCN(C)CCC 269982a_100000207549_100000210303 [2,0,0,0,0,0|2,0,0]=4 5006 B8R0.1 CCCCN(C)CCC 269982a_100000747261_100000210211 [2,0,0,0,0,0|2,0,0]=4 5007 B8R0.1 CCCCN(C)CCC 269982a_200000207744_200000210301 [2,0,0,0,0,0|2,0,0]=4 5008 B8R0.1 CCCCN([13CH3])CCC 2230a_200000207744_200025704644 [2,0,0,0,0,0|2,0,0]=4 5009 B8R0.1 CCCCN([13CH3])CCC 269982a_200000207744_200025704644 [2,0,0,0,0,0|2,0,0]=4 5010 B8R0.1 CCCNC(=O)CCC 11a_100020643023_100000211992 [2,0,0,0,0,0|1,0,0]=3 5011 B8R0.1 CCCNC(=O)CCC 1626a_100020643023_100000211992 [2,0,0,0,0,0|1,0,0]=3 5012 B8R0.1 CCCNC(=O)CCC 240690a_100020643023_100000211992 [2,0,0,0,0,0|1,0,0]=3 5013 B8R0.1 CCCNC(=O)CCC 527a_100020643023_100000211992 [2,0,0,0,0,0|1,0,0]=3 5014 B8R0.1 CCCNC(=O)CCO 240690a_100020643023_100011216618 [2,0,0,0,0,0|2,0,0]=4 5015 B8R0.1 CCCNC(=O)CNC 2230a_100000174927_200000210301 [2,0,0,0,0,0|2,0,0]=4 5016 B8R0.1 CCCNC(=O)CNC 2230a_106832991635_100000183358 [2,0,0,0,0,0|2,0,0]=4 5017 B8R0.1 CCCNC(=O)CNC 34a_100102657272_100000183358 [2,0,0,0,0,0|2,0,0]=4 5018 B8R0.1 CCCNC(=O)CNC 7a_106832991635_100000183358 [2,0,0,0,0,0|2,0,0]=4 5019 B8R0.1 CCCNC(=O)CN[13CH3] 2230a_100000174927_200025704644 [2,0,0,0,0,0|2,0,0]=4 5020 B8R0.1 CCCNC(=O)COC 11a_100020643023_100000210968 [2,0,0,0,0,0|2,0,0]=4 5021 B8R0.1 CCCNC(=O)COC 1626a_100020643023_100000210968 [2,0,0,0,0,0|2,0,0]=4 5022 B8R0.1 CCCNC(=O)COC 240690a_100020643023_100000210968 [2,0,0,0,0,0|2,0,0]=4 5023 B8R0.1 CCCNC(=O)COC 34a_100138415774_100000183358 [2,0,0,0,0,0|2,0,0]=4 5024 B8R0.1 CCCNC(=O)COC 527a_100020643023_100000210968 [2,0,0,0,0,0|2,0,0]=4 5025 B8R0.1 CCCNC(=O)CSC 11a_100020643023_100000184570 [2,0,0,0,0,0|2,0,0]=4 5026 B8R0.1 CCCNC(=O)CSC 1626a_100020643023_100000184570 [2,0,0,0,0,0|2,0,0]=4 5027 B8R0.1 CCCNC(=O)CSC 240690a_100020643023_100000184570 [2,0,0,0,0,0|2,0,0]=4 5028 B8R0.1 CCCNC(=O)CSC 527a_100020643023_100000184570 [2,0,0,0,0,0|2,0,0]=4 5029 B8R0.1 CCCNC(=O)CSC 62a_100000183358_200000210301 [2,0,0,0,0,0|2,0,0]=4 5030 B8R0.1 CCCNC(=O)CSC 62a_200000210301_100000183358 [2,0,0,0,0,0|2,0,0]=4 5031 B8R0.1 CCCNC(=O)CS[13CH3] 62a_100000183358_200025704644 [2,0,0,0,0,0|2,0,0]=4 5032 B8R0.1 CCCNC(=O)CS[13CH3] 62a_200025704644_100000183358 [2,0,0,0,0,0|2,0,0]=4 5033 B8R0.1 CCCNC(=O)NCC 2708a_100015525214_100020643023 [2,0,0,0,0,0|2,0,0]=4 5034 B8R0.1 CCCNC(=O)NCC 2708a_100020643023_100015525214 [2,0,0,0,0,0|2,0,0]=4 5035 B8R0.1 CCCNC(=O)NCC 273464a_100015525214_100020643023 [2,0,0,0,0,0|2,0,0]=4 5036 B8R0.1 CCCNC(=O)NCC 273464a_100020643023_100015525214 [2,0,0,0,0,0|2,0,0]=4 5037 B8R0.1 CCCNC(=O)NCC 512a_100015525214_100020643023 [2,0,0,0,0,0|2,0,0]=4 5038 B8R0.1 CCCNC(=O)NCC 512a_100020643023_100015525214 [2,0,0,0,0,0|2,0,0]=4 5039 B8R0.1 CCCOC(=O)CNC 2230a_106832991635_200011215008 [2,0,0,0,0,0|1,0,0]=3 5040 B8R0.1 CCCOC(=O)CNC 34a_100102657272_200011215008 [2,0,0,0,0,0|1,0,0]=3 5041 B8R0.1 CCCOC(=O)CNC 7a_106832991635_200011215008 [2,0,0,0,0,0|1,0,0]=3 5042 B8R0.1 CCCOC(=O)COC 34a_100138415774_200011215008 [2,0,0,0,0,0|1,0,0]=3 5043 B8R0.1 CCCOC(=O)CSC 62a_200000210301_200011215008 [2,0,0,0,0,0|1,0,0]=3 5044 B8R0.1 CCCOC(=O)CSC 62a_200011215008_200000210301 [2,0,0,0,0,0|1,0,0]=3 5045 B8R0.1 CCCOC(=O)CS[13CH3] 62a_200011215008_200025704644 [2,0,0,0,0,0|1,0,0]=3 5046 B8R0.1 CCCOC(=O)CS[13CH3] 62a_200025704644_200011215008 [2,0,0,0,0,0|1,0,0]=3 5047 B8R0.1 CCCOC(C)CCC 34a_100000210258_100000766640 [2,0,0,0,0,0|1,0,1]=4 5048 B8R0.1 CCCOC(C)CCC 34a_100000764384_100000210303 [2,0,0,0,0,0|1,0,1]=4 5049 B8R0.1 CCCOC(C)CCC 7a_100000764384_100000210303 [2,0,0,0,0,0|1,0,1]=4 5050 B8R0.1 CCNC(=O)CCNC 2230a_106832991635_100000737597 [2,0,0,0,0,0|2,0,0]=4 5051 B8R0.1 CCNC(=O)CCNC 34a_100025743525_200000210301 [2,0,0,0,0,0|2,0,0]=4 5052 B8R0.1 CCNC(=O)CCNC 7a_106832991635_100000737597 [2,0,0,0,0,0|2,0,0]=4 5053 B8R0.1 CCNC(=O)CCN[13CH3] 34a_100025743525_200025704644 [2,0,0,0,0,0|2,0,0]=4 5054 B8R0.1 CCNC(=O)CCOC 11a_100015525214_100000749529 [2,0,0,0,0,0|2,0,0]=4 5055 B8R0.1 CCNC(=O)CCOC 240690a_100015525214_100000749529 [2,0,0,0,0,0|2,0,0]=4 5056 B8R0.1 CCNC(=O)CCOC 527a_100015525214_100000749529 [2,0,0,0,0,0|2,0,0]=4 5057 B8R0.1 CCNC(=O)CCSC 11a_100015525214_100000174002 [2,0,0,0,0,0|2,0,0]=4 5058 B8R0.1 CCNC(=O)CCSC 240690a_100015525214_100000174002 [2,0,0,0,0,0|2,0,0]=4 5059 B8R0.1 CCNC(=O)CCSC 527a_100015525214_100000174002 [2,0,0,0,0,0|2,0,0]=4 5060 B8R0.1 CCNC(=O)CCSC 62a_100000737597_200000210301 [2,0,0,0,0,0|2,0,0]=4 5061 B8R0.1 CCNC(=O)CCSC 62a_200000210301_100000737597 [2,0,0,0,0,0|2,0,0]=4 5062 B8R0.1 CCNC(=O)CCS[13CH3] 62a_100000737597_200025704644 [2,0,0,0,0,0|2,0,0]=4 5063 B8R0.1 CCNC(=O)CCS[13CH3] 62a_200025704644_100000737597 [2,0,0,0,0,0|2,0,0]=4 5064 B8R0.1 CCNC(=O)COCC 11a_100015525214_100000211967 [2,0,0,0,0,0|2,0,0]=4 5065 B8R0.1 CCNC(=O)COCC 240690a_100015525214_100000211967 [2,0,0,0,0,0|2,0,0]=4 5066 B8R0.1 CCNC(=O)COCC 34a_100121572206_100000183381 [2,0,0,0,0,0|2,0,0]=4 5067 B8R0.1 CCNC(=O)COCC 527a_100015525214_100000211967 [2,0,0,0,0,0|2,0,0]=4 5068 B8R0.1 CCNC(=O)CSCC 11a_100015525214_100000230394 [2,0,0,0,0,0|2,0,0]=4 5069 B8R0.1 CCNC(=O)CSCC 240690a_100015525214_100000230394 [2,0,0,0,0,0|2,0,0]=4 5070 B8R0.1 CCNC(=O)CSCC 527a_100015525214_100000230394 [2,0,0,0,0,0|2,0,0]=4 5071 B8R0.1 CCNC(=O)CSCC 62a_100000183381_100000210202 [2,0,0,0,0,0|2,0,0]=4 5072 B8R0.1 CCNC(=O)CSCC 62a_100000210202_100000183381 [2,0,0,0,0,0|2,0,0]=4 5073 B8R0.1 CCNCC(=O)NCC 2230a_100015525214_100000183381 [2,0,0,0,0,0|2,0,0]=4 5074 B8R0.1 CCNCC(=O)NCC 2230a_100016988866_100000210202 [2,0,0,0,0,0|2,0,0]=4 5075 B8R0.1 CCNCC(=O)OCC 2230a_100015525214_100000188475 [2,0,0,0,0,0|2,0,0]=4 5076 B8R0.1 CCOC(=O)CCNC 2230a_106832991635_100011206558 [2,0,0,0,0,0|2,0,0]=4 5077 B8R0.1 CCOC(=O)CCNC 34a_100102657272_100000765890 [2,0,0,0,0,0|2,0,0]=4 5078 B8R0.1 CCOC(=O)CCNC 7a_106832991635_100011206558 [2,0,0,0,0,0|2,0,0]=4 5079 B8R0.1 CCOC(=O)CCOC 34a_100138415774_100000765890 [2,0,0,0,0,0|2,0,0]=4 5080 B8R0.1 CCOC(=O)CCSC 62a_100000765890_200000210301 [2,0,0,0,0,0|2,0,0]=4 5081 B8R0.1 CCOC(=O)CCSC 62a_200000210301_100000765890 [2,0,0,0,0,0|2,0,0]=4 5082 B8R0.1 CCOC(=O)CCS[13CH3] 62a_100000765890_200025704644 [2,0,0,0,0,0|2,0,0]=4 5083 B8R0.1 CCOC(=O)CCS[13CH3] 62a_200025704644_100000765890 [2,0,0,0,0,0|2,0,0]=4 5084 B8R0.1 CCOC(=O)CSCC 62a_100000188475_100000210202 [2,0,0,0,0,0|2,0,0]=4 5085 B8R0.1 CCOC(=O)CSCC 62a_100000210202_100000188475 [2,0,0,0,0,0|2,0,0]=4 5086 B8R0.1 CCOC(=O)OCSC 62a_200000210301_100000075025 [2,0,0,0,0,0|2,0,0]=4 5087 B8R0.1 CCOC(=O)OCS[13CH3] 62a_200025704644_100000075025 [2,0,0,0,0,0|2,0,0]=4 5088 B8R0.1 CCOCC(=O)CCF 1458a_100000211967_100011217306 [2,0,0,0,0,0|2,0,0]=4 5089 B8R0.1 CCOCC(=O)CCO 1458a_100000211967_100000211926 [2,0,0,0,0,0|2,0,0]=4 5090 B8R0.1 CCOCC(=O)OCC 34a_100121572206_100000188475 [2,0,0,0,0,0|2,0,0]=4 5091 B8R0.1 CCSCC(=O)CCF 1458a_100000230394_100011217306 [2,0,0,0,0,0|2,0,0]=4 5092 B8R0.1 CCSCC(=O)CCO 1458a_100000230394_100000211926 [2,0,0,0,0,0|2,0,0]=4 5093 B8R0.1 COCC(=O)CCCF 1458a_100000210968_100011934791 [2,0,0,0,0,0|2,0,0]=4 5094 B8R0.1 COCC(=O)CCCO 1458a_100000210968_100011215043 [2,0,0,0,0,0|2,0,0]=4 5095 B8R0.1 COCC(=O)CCSC 1458a_100000210968_100000751147 [2,0,0,0,0,0|2,0,0]=4 5096 B8R0.1 COCCC(=O)CCF 1458a_100000749529_100011217306 [2,0,0,0,0,0|2,0,0]=4 5097 B8R0.1 COCCC(=O)CCO 1458a_100000749529_100000211926 [2,0,0,0,0,0|2,0,0]=4 5098 B8R0.1 COCCC(=O)CCO 1458a_100011216618_100000233755 [2,0,0,0,0,0|2,0,0]=4 5099 B8R0.1 COCCC(=O)COC 1458a_100000210968_100000233755 [2,0,0,0,0,0|2,0,0]=4 5100 B8R0.1 COCCC(=O)CSC 1458a_100000184570_100000233755 [2,0,0,0,0,0|2,0,0]=4 5101 B8R0.1 CSCC(=O)CCCF 1458a_100000184570_100011934791 [2,0,0,0,0,0|2,0,0]=4 5102 B8R0.1 CSCC(=O)CCCO 1458a_100000184570_100011215043 [2,0,0,0,0,0|2,0,0]=4 5103 B8R0.1 CSCCC(=O)CCF 1458a_100000174002_100011217306 [2,0,0,0,0,0|2,0,0]=4 5104 B8R0.1 CSCCC(=O)CCO 1458a_100000174002_100000211926 [2,0,0,0,0,0|2,0,0]=4 5105 B8R0.1 CSCCC(=O)CCO 1458a_100011216618_100000751147 [2,0,0,0,0,0|2,0,0]=4 5106 B8R0.1 CSCCC(=O)CSC 1458a_100000184570_100000751147 [2,0,0,0,0,0|2,0,0]=4 5107 B8R0.1 O=C(CCO)CCCF 1458a_100011216618_100011934791 [2,0,0,0,0,0|2,0,0]=4 5108 B8R0.1 O=C(CCO)CCCO 1458a_100011216618_100011215043 [2,0,0,0,0,0|2,0,0]=4 5109 B8R0.5 C#CCC(=O)CC(C)C 1458a_100000210554_100000184674 [2,0,0,0,0,0|0,0,2]=4 5110 B8R0.5 C#CCC(=O)CC(C)C 1458a_100011220946_100000210624 [2,0,0,0,0,0|0,0,2]=4 5111 B8R0.5 C=C(C)CC(=O)CCC 1458a_100000211992_100000748629 [2,0,0,0,0,0|0,0,2]=4 5112 B8R0.5 C=CCC(=O)CC(C)C 1458a_100000210193_100000210624 [2,0,0,0,0,0|0,0,2]=4 5113 B8R0.5 C=CCC(=O)CC(C)C 1458a_100000210554_100000210623 [2,0,0,0,0,0|0,0,2]=4 5114 B8R0.5 CC#CC(=O)CC(C)C 1458a_100000763181_100000210624 [2,0,0,0,0,0|0,0,2]=4 5115 B8R0.5 CC(C)CC(=O)CC#N 1458a_100000210554_100011214920 [2,0,0,0,0,0|1,0,1]=4 5116 B8R0.5 CC(C)CC(=O)CC#N 1458a_100051588842_100000210624 [2,0,0,0,0,0|1,0,1]=4 5117 B8R0.5 CC(C)CC(=O)CCF 1458a_100000210554_100011217306 [2,0,0,0,0,0|1,0,0]=3 5118 B8R0.5 CC(C)CC(=O)CCO 1458a_100000210554_100000211926 [2,0,0,0,0,0|1,0,0]=3 5119 B8R0.5 CC(C)CC(=O)CCO 1458a_100011216618_100000210624 [2,0,0,0,0,0|1,0,0]=3 5120 B8R0.5 CC(C)NC(=O)CCO 240690a_100138425928_100011216618 [2,0,0,0,0,0|2,0,0]=4 5121 B8R0.5 CC(C)NC(=O)CN[13CH3] 2230a_100000168517_200025704644 [2,0,0,0,0,0|2,0,0]=4 5122 B8R0.5 CC(C)NC(=O)CS[13CH3] 62a_100000183996_200025704644 [2,0,0,0,0,0|2,0,0]=4 5123 B8R0.5 CC(C)NC(=O)CS[13CH3] 62a_200025704644_100000183996 [2,0,0,0,0,0|2,0,0]=4 5124 B8R0.5 CC(C)OC(=O)CS[13CH3] 62a_100011215430_200025704644 [2,0,0,0,0,0|2,0,0]=4 5125 B8R0.5 CC(C)OC(=O)CS[13CH3] 62a_200025704644_100011215430 [2,0,0,0,0,0|2,0,0]=4 5126 B8R0.5 CC(O)CC(=O)CCO 1458a_100011216618_100011218427 [2,0,0,0,0,0|2,0,0]=4 5127 B8R0.5 CC=CC(=O)CC(C)C 1458a_100000210699_100000210624 [2,0,0,0,0,0|0,0,2]=4 5128 B8R0.5 CCCC(=O)C=C(C)C 1458a_100000211388_100000210303 [2,0,0,0,0,0|0,0,2]=4 5129 B8R0.5 CCCC(=O)CC(=O)C 1458a_100000070787_100000747444 [2,0,0,0,0,0|1,0,1]=4 5130 B8R0.5 CCCC(=O)CC(C)C 1458a_100000210554_100000210303 [2,0,0,0,0,0|0,0,0]=2 5131 B8R0.5 CCCC(=O)CC(C)C 1458a_100000211992_100000210624 [2,0,0,0,0,0|0,0,0]=2 5132 B8R0.5 CCCC(=O)CC(C)O 1458a_100000211992_100011218427 [2,0,0,0,0,0|1,0,0]=3 5133 B8R0.5 CCCC(=O)CC(F)F 1458a_100000211992_100011934356 [2,0,0,0,0,0|2,0,0]=4 5134 B8R0.5 CCCC(=O)CN(C)C 1458a_100000750896_100000210303 [2,0,0,0,0,0|1,0,0]=3 5135 B8R0.5 CCCC(=O)CN(C)C 2230a_100102631434_100000747444 [2,0,0,0,0,0|1,0,0]=3 5136 B8R0.5 CCCC(=O)CN(C)C 269982a_100102631434_100000747444 [2,0,0,0,0,0|1,0,0]=3 5137 B8R0.5 CCCC(=O)C[C@@H](C)O 1458a_100011933948_100000210303 [2,0,0,0,0,0|1,0,0]=3 5138 B8R0.5 CCCC(=O)C[S+](C)C 1458a_200159257847_100000210303 [2,0,0,0,0,0|1,0,0]=3 5139 B8R0.5 CCCC(=O)NC(C)C 11a_100138425928_100000211992 [2,0,0,0,0,0|1,0,0]=3 5140 B8R0.5 CCCC(=O)NC(C)C 1626a_100138425928_100000211992 [2,0,0,0,0,0|1,0,0]=3 5141 B8R0.5 CCCC(=O)NC(C)C 240690a_100138425928_100000211992 [2,0,0,0,0,0|1,0,0]=3 5142 B8R0.5 CCCC(=O)NC(C)C 527a_100138425928_100000211992 [2,0,0,0,0,0|1,0,0]=3 5143 B8R0.5 CCCN(C)CC(C)C 2230a_100000747067_100000210303 [2,0,0,0,0,0|2,0,0]=4 5144 B8R0.5 CCCN(C)CC(C)C 2230a_100000747261_100000210760 [2,0,0,0,0,0|2,0,0]=4 5145 B8R0.5 CCCN(C)CC(C)C 269982a_100000747067_100000210303 [2,0,0,0,0,0|2,0,0]=4 5146 B8R0.5 CCCN(C)CC(C)C 269982a_100000747261_100000210624 [2,0,0,0,0,0|2,0,0]=4 5147 B8R0.5 CCCN(C)CC(C)C 270004a_100000747261_100000210432 [2,0,0,0,0,0|2,0,0]=4 5148 B8R0.5 CCNC(=O)CC(C)C 11a_100015525214_100000210554 [2,0,0,0,0,0|1,0,0]=3 5149 B8R0.5 CCNC(=O)CC(C)C 240690a_100015525214_100000210554 [2,0,0,0,0,0|1,0,0]=3 5150 B8R0.5 CCNC(=O)CC(C)C 527a_100015525214_100000210554 [2,0,0,0,0,0|1,0,0]=3 5151 B8R0.5 CCNC(=O)CN(C)C 11a_100015525214_100000750896 [2,0,0,0,0,0|2,0,0]=4 5152 B8R0.5 CCNC(=O)CN(C)C 2230a_100000741943_200000210301 [2,0,0,0,0,0|2,0,0]=4 5153 B8R0.5 CCNC(=O)CN(C)C 2230a_100102631434_100000183381 [2,0,0,0,0,0|2,0,0]=4 5154 B8R0.5 CCNC(=O)CN(C)C 240690a_100015525214_100000750896 [2,0,0,0,0,0|2,0,0]=4 5155 B8R0.5 CCNC(=O)CN(C)C 269982a_100000741943_200000210301 [2,0,0,0,0,0|2,0,0]=4 5156 B8R0.5 CCNC(=O)CN(C)C 269982a_100102631434_100000183381 [2,0,0,0,0,0|2,0,0]=4 5157 B8R0.5 CCNC(=O)CN(C)C 527a_100015525214_100000750896 [2,0,0,0,0,0|2,0,0]=4 5158 B8R0.5 CCNC(=O)CN(C)[13CH3] 2230a_100000741943_200025704644 [2,0,0,0,0,0|2,0,0]=4 5159 B8R0.5 CCNC(=O)CN(C)[13CH3] 269982a_100000741943_200025704644 [2,0,0,0,0,0|2,0,0]=4 5160 B8R0.5 CCNC(=O)C[C@@H](C)O 240690a_100015525214_100011933948 [2,0,0,0,0,0|2,0,0]=4 5161 B8R0.5 CCNC(=O)C[S+](C)C 11a_100015525214_200159257847 [2,0,0,0,0,0|2,0,0]=4 5162 B8R0.5 CCNC(=O)C[S+](C)C 240690a_100015525214_200159257847 [2,0,0,0,0,0|2,0,0]=4 5163 B8R0.5 CCNC(=O)C[S+](C)C 527a_100015525214_200159257847 [2,0,0,0,0,0|2,0,0]=4 5164 B8R0.5 CCNC(=O)NC(C)C 2708a_100015525214_100138425928 [2,0,0,0,0,0|2,0,0]=4 5165 B8R0.5 CCNC(=O)NC(C)C 2708a_100138425928_100015525214 [2,0,0,0,0,0|2,0,0]=4 5166 B8R0.5 CCNC(=O)NC(C)C 273464a_100138425928_100015525214 [2,0,0,0,0,0|2,0,0]=4 5167 B8R0.5 CCNC(=O)NC(C)C 512a_100015525214_100138425928 [2,0,0,0,0,0|2,0,0]=4 5168 B8R0.5 CCNC(=O)NC(C)C 512a_100138425928_100015525214 [2,0,0,0,0,0|2,0,0]=4 5169 B8R0.5 CCOC(=O)CC(=O)C 1458a_100000070787_100000188475 [2,0,0,0,0,0|1,0,1]=4 5170 B8R0.5 CCOC(=O)CC(=O)C 1458a_100000243816_200000210301 [2,0,0,0,0,0|1,0,1]=4 5171 B8R0.5 CCOC(=O)CC(=O)[13CH3] 1458a_100000243816_200025704644 [2,0,0,0,0,0|1,0,1]=4 5172 B8R0.5 CCOC(=O)CN(C)C 2230a_100000220588_200000210301 [2,0,0,0,0,0|1,0,0]=3 5173 B8R0.5 CCOC(=O)CN(C)C 2230a_100102631434_100000188475 [2,0,0,0,0,0|1,0,0]=3 5174 B8R0.5 CCOC(=O)CN(C)C 269982a_100102631434_100000188475 [2,0,0,0,0,0|1,0,0]=3 5175 B8R0.5 CCOC(=O)CN(C)[13CH3] 2230a_100000220588_200025704644 [2,0,0,0,0,0|1,0,0]=3 5176 B8R0.5 CCOC(C)CC(C)C 34a_100000211805_100000210202 [2,0,0,0,0,0|1,0,1]=4 5177 B8R0.5 CCOC(C)CC(C)C 34a_100121572206_100000731052 [2,0,0,0,0,0|1,0,1]=4 5178 B8R0.5 CCOC(C)CC(C)C 7a_100000211805_100000210202 [2,0,0,0,0,0|1,0,1]=4 5179 B8R0.5 CN(C)CC(=O)CCF 1458a_100000750896_100011217306 [2,0,0,0,0,0|2,0,0]=4 5180 B8R0.5 CN(C)CC(=O)CCO 1458a_100000750896_100000211926 [2,0,0,0,0,0|2,0,0]=4 5181 B8R0.5 CNCC(=O)NC(C)C 2230a_100000168517_200000210301 [2,0,0,0,0,0|2,0,0]=4 5182 B8R0.5 CNCC(=O)NC(C)C 2230a_106832991635_100000183996 [2,0,0,0,0,0|2,0,0]=4 5183 B8R0.5 CNCC(=O)NC(C)C 34a_100102657272_100000183996 [2,0,0,0,0,0|2,0,0]=4 5184 B8R0.5 CNCC(=O)NC(C)C 7a_106832991635_100000183996 [2,0,0,0,0,0|2,0,0]=4 5185 B8R0.5 CNCC(=O)OC(C)C 2230a_106832991635_100011215430 [2,0,0,0,0,0|2,0,0]=4 5186 B8R0.5 CNCC(=O)OC(C)C 34a_100102657272_100011215430 [2,0,0,0,0,0|2,0,0]=4 5187 B8R0.5 CNCC(=O)OC(C)C 7a_106832991635_100011215430 [2,0,0,0,0,0|2,0,0]=4 5188 B8R0.5 CNNC(=O)CC(C)C 22a_100016993582_100000210554 [2,0,0,0,0,0|2,0,0]=4 5189 B8R0.5 COCC(=O)CC(C)C 1458a_100000210968_100000210624 [2,0,0,0,0,0|1,0,0]=3 5190 B8R0.5 COCC(=O)CC(C)O 1458a_100000210968_100011218427 [2,0,0,0,0,0|2,0,0]=4 5191 B8R0.5 COCC(=O)NC(C)C 11a_100138425928_100000210968 [2,0,0,0,0,0|2,0,0]=4 5192 B8R0.5 COCC(=O)NC(C)C 1626a_100138425928_100000210968 [2,0,0,0,0,0|2,0,0]=4 5193 B8R0.5 COCC(=O)NC(C)C 240690a_100138425928_100000210968 [2,0,0,0,0,0|2,0,0]=4 5194 B8R0.5 COCC(=O)NC(C)C 34a_100138415774_100000183996 [2,0,0,0,0,0|2,0,0]=4 5195 B8R0.5 COCC(=O)NC(C)C 527a_100138425928_100000210968 [2,0,0,0,0,0|2,0,0]=4 5196 B8R0.5 COCC(=O)OC(C)C 34a_100138415774_100011215430 [2,0,0,0,0,0|2,0,0]=4 5197 B8R0.5 CSCC(=O)CC(C)C 1458a_100000184570_100000210624 [2,0,0,0,0,0|1,0,0]=3 5198 B8R0.5 CSCC(=O)CC(C)O 1458a_100000184570_100011218427 [2,0,0,0,0,0|2,0,0]=4 5199 B8R0.5 CSCC(=O)NC(C)C 11a_100138425928_100000184570 [2,0,0,0,0,0|2,0,0]=4 5200 B8R0.5 CSCC(=O)NC(C)C 1626a_100138425928_100000184570 [2,0,0,0,0,0|2,0,0]=4 5201 B8R0.5 CSCC(=O)NC(C)C 240690a_100138425928_100000184570 [2,0,0,0,0,0|2,0,0]=4 5202 B8R0.5 CSCC(=O)NC(C)C 527a_100138425928_100000184570 [2,0,0,0,0,0|2,0,0]=4 5203 B8R0.5 CSCC(=O)NC(C)C 62a_100000183996_200000210301 [2,0,0,0,0,0|2,0,0]=4 5204 B8R0.5 CSCC(=O)NC(C)C 62a_200000210301_100000183996 [2,0,0,0,0,0|2,0,0]=4 5205 B8R0.5 CSCC(=O)OC(C)C 62a_100011215430_200000210301 [2,0,0,0,0,0|2,0,0]=4 5206 B8R0.5 CSCC(=O)OC(C)C 62a_200000210301_100011215430 [2,0,0,0,0,0|2,0,0]=4 5207 B8R0.5 C[C@@H](O)CC(=O)CCF 1458a_100011933948_100011217306 [2,0,0,0,0,0|2,0,0]=4 5208 B8R0.5 C[C@@H](O)CC(=O)CCO 1458a_100011933948_100000211926 [2,0,0,0,0,0|2,0,0]=4 5209 B8R0.5 C[S+](C)CC(=O)CCF 1458a_200159257847_100011217306 [2,0,0,0,0,0|2,0,0]=4 5210 B8R0.5 C[S+](C)CC(=O)CCO 1458a_200159257847_100000211926 [2,0,0,0,0,0|2,0,0]=4 5211 B8R0.6 CCC(=O)CCCCF 1458a_100000210414_100000729493 [2,0,0,0,0,0|2,0,0]=4 5212 B8R0.6 CCC(=O)CCCCO 1458a_100000210414_100000210776 [2,0,0,0,0,0|2,0,0]=4 5213 B8R0.6 CCC(=O)CCCCO 1458a_100000695505_100000210202 [2,0,0,0,0,0|2,0,0]=4 5214 B8R0.6 CCC(=O)CCCOC 1458a_100000210414_100000740836 [2,0,0,0,0,0|2,0,0]=4 5215 B8R0.6 CCC(=O)CCCOC 1458a_100000741012_100000210202 [2,0,0,0,0,0|2,0,0]=4 5216 B8R0.6 CCC(=O)CCCSC 1458a_100000173376_100000210202 [2,0,0,0,0,0|2,0,0]=4 5217 B8R0.6 CCC(=O)NCCCF 11a_100015189416_100000210414 [2,0,0,0,0,0|2,0,0]=4 5218 B8R0.6 CCC(=O)NCCCF 1626a_100015189416_100000210414 [2,0,0,0,0,0|2,0,0]=4 5219 B8R0.6 CCC(=O)NCCCF 240690a_100015189416_100000210414 [2,0,0,0,0,0|2,0,0]=4 5220 B8R0.6 CCC(=O)NCCCF 527a_100015189416_100000210414 [2,0,0,0,0,0|2,0,0]=4 5221 B8R0.6 CCC(=O)NCCCO 240690a_100000182051_100000210414 [2,0,0,0,0,0|2,0,0]=4 5222 B8R0.6 CCC(=O)NCCCO 527a_100000182051_100000210414 [2,0,0,0,0,0|2,0,0]=4 5223 B8R0.6 CCC(=O)NCCNC 34a_100132302217_200000210301 [2,0,0,0,0,0|2,0,0]=4 5224 B8R0.6 CCC(=O)NCCN[13CH3] 34a_100132302217_200025704644 [2,0,0,0,0,0|2,0,0]=4 5225 B8R0.6 CCC(=O)NCCOC 1626a_100000209980_100000210414 [2,0,0,0,0,0|2,0,0]=4 5226 B8R0.6 CCC(=O)NCCOC 240690a_100000209980_100000210414 [2,0,0,0,0,0|2,0,0]=4 5227 B8R0.6 CCC(=O)NCCOC 34a_200000158885_200000210301 [2,0,0,0,0,0|2,0,0]=4 5228 B8R0.6 CCC(=O)NCCOC 527a_100000209980_100000210414 [2,0,0,0,0,0|2,0,0]=4 5229 B8R0.6 CCC(=O)NCCOC 7a_200000158885_200000210301 [2,0,0,0,0,0|2,0,0]=4 5230 B8R0.6 CCC(=O)NCCO[13CH3] 34a_200000158885_200025704644 [2,0,0,0,0,0|2,0,0]=4 5231 B8R0.6 CCC(=O)NCCO[13CH3] 7a_200000158885_200025704644 [2,0,0,0,0,0|2,0,0]=4 5232 B8R0.6 CCC(=O)NCCSC 11a_100020590264_100000210414 [2,0,0,0,0,0|2,0,0]=4 5233 B8R0.6 CCC(=O)NCCSC 1626a_100020590264_100000210414 [2,0,0,0,0,0|2,0,0]=4 5234 B8R0.6 CCC(=O)NCCSC 240690a_100020590264_100000210414 [2,0,0,0,0,0|2,0,0]=4 5235 B8R0.6 CCC(=O)NCCSC 527a_100020590264_100000210414 [2,0,0,0,0,0|2,0,0]=4 5236 B8R0.6 CCC(=O)OCCOC 7a_200000031056_200000210301 [2,0,0,0,0,0|1,0,0]=3 5237 B8R0.6 CCC(=O)OCCO[13CH3] 7a_200000031056_200025704644 [2,0,0,0,0,0|1,0,0]=3 5238 B8R0.6 CCCC#CC(=O)CC 1458a_200011218047_100000210202 [2,0,0,0,0,0|1,0,1]=4 5239 B8R0.6 CCCC=CC(=O)CC 1458a_100000212230_100000210202 [2,0,0,0,0,0|1,0,1]=4 5240 B8R0.6 CCCCCC(=O)CC 1458a_100000210414_100000210326 [2,0,0,0,0,0|1,0,0]=3 5241 B8R0.6 CCCCCC(=O)CC 1458a_100000212188_100000210202 [2,0,0,0,0,0|1,0,0]=3 5242 B8R0.6 CCCCCC(=O)CF 1458a_100000212188_100015361967 [2,0,0,0,0,0|2,0,0]=4 5243 B8R0.6 CCCCCC(=O)CO 1458a_100000210174_100000210326 [2,0,0,0,0,0|2,0,0]=4 5244 B8R0.6 CCCCCC(=O)NC 11a_106832991635_100000212188 [2,0,0,0,0,0|2,0,0]=4 5245 B8R0.6 CCCCCC(=O)NC 1626a_100102657272_100000212188 [2,0,0,0,0,0|2,0,0]=4 5246 B8R0.6 CCCCCC(=O)NC 240690a_100102657272_100000212188 [2,0,0,0,0,0|2,0,0]=4 5247 B8R0.6 CCCCCC(=O)NC 527a_100102657272_100000212188 [2,0,0,0,0,0|2,0,0]=4 5248 B8R0.6 CCCCNC(=O)CC 11a_100000102301_100000210414 [2,0,0,0,0,0|1,0,0]=3 5249 B8R0.6 CCCCNC(=O)CC 1626a_100000102301_100000210414 [2,0,0,0,0,0|1,0,0]=3 5250 B8R0.6 CCCCNC(=O)CC 240690a_100000102301_100000210414 [2,0,0,0,0,0|1,0,0]=3 5251 B8R0.6 CCCCNC(=O)CC 527a_100000102301_100000210414 [2,0,0,0,0,0|1,0,0]=3 5252 B8R0.6 CCCCNC(=O)CO 240690a_100000102301_100000210174 [2,0,0,0,0,0|2,0,0]=4 5253 B8R0.6 CCCCNC(=O)CO 527a_100000102301_100000210174 [2,0,0,0,0,0|2,0,0]=4 5254 B8R0.6 CCCCNC(=O)NC 2708a_100000102301_106832991635 [2,0,0,0,0,0|2,0,0]=4 5255 B8R0.6 CCCCNC(=O)NC 2708a_100102657272_100000102301 [2,0,0,0,0,0|2,0,0]=4 5256 B8R0.6 CCCCNC(=O)NC 273464a_100000102301_100102657272 [2,0,0,0,0,0|2,0,0]=4 5257 B8R0.6 CCCCNC(=O)NC 273464a_100102657272_100000102301 [2,0,0,0,0,0|2,0,0]=4 5258 B8R0.6 CCCCNC(=O)NC 512a_100000102301_100102657272 [2,0,0,0,0,0|2,0,0]=4 5259 B8R0.6 CCCCNC(=O)NC 512a_106832991638_100000102301 [2,0,0,0,0,0|2,0,0]=4 5260 B8R0.6 CCCCOC(C)CC 34a_100000210227_100011215416 [2,0,0,0,0,0|1,0,1]=4 5261 B8R0.6 CCCCOC(C)CC 7a_100000210227_100000758301 [2,0,0,0,0,0|1,0,1]=4 5262 B8R0.6 CCCCOC(C)CC 7a_100000210228_100000210211 [2,0,0,0,0,0|1,0,1]=4 5263 B8R0.6 CCCNNC(=O)CC 22a_100000740057_100000210414 [2,0,0,0,0,0|2,0,0]=4 5264 B8R0.6 CCCOCC(=O)CC 1458a_100000745993_100000210202 [2,0,0,0,0,0|2,0,0]=4 5265 B8R0.6 CCCOCC(=O)CC 34a_100000725409_100000210303 [2,0,0,0,0,0|2,0,0]=4 5266 B8R0.6 CCCSCC(=O)CC 1458a_100000217233_100000210202 [2,0,0,0,0,0|2,0,0]=4 5267 B8R0.6 CCCSCC(=O)CC 62a_100000210303_100000747405 [2,0,0,0,0,0|2,0,0]=4 5268 B8R0.6 CCCSCC(=O)CC 62a_100000747405_100000210303 [2,0,0,0,0,0|2,0,0]=4 5269 B8R0.6 CCOCCC(=O)CC 1458a_100000210414_100011215890 [2,0,0,0,0,0|2,0,0]=4 5270 B8R0.6 CCOCCC(=O)CC 1458a_100000749530_100000210202 [2,0,0,0,0,0|2,0,0]=4 5271 B8R0.6 CCSCCC(=O)CC 1458a_100000210414_100000757381 [2,0,0,0,0,0|2,0,0]=4 5272 B8R0.6 CCSCCC(=O)CC 1458a_100000230768_100000210202 [2,0,0,0,0,0|2,0,0]=4 5273 B8R0.6 CCSCOC(=O)OC 62a_100000210202_100000139417 [2,0,0,0,0,0|2,0,0]=4 5274 B8R0.6 CNC(=O)OCCOC 34a_100138415774_200011997002 [2,0,0,0,0,0|2,0,0]=4 5275 B8R0.6 CNC(=O)OCCSC 62a_200000210301_200011997002 [2,0,0,0,0,0|2,0,0]=4 5276 B8R0.6 CNC(=O)OCCSC 62a_200011997002_200000210301 [2,0,0,0,0,0|2,0,0]=4 5277 B8R0.6 CNC(=O)OCCS[13CH3] 62a_200011997002_200025704644 [2,0,0,0,0,0|2,0,0]=4 5278 B8R0.6 CNC(=O)OCCS[13CH3] 62a_200025704644_200011997002 [2,0,0,0,0,0|2,0,0]=4 5279 B8R0.6 CNCCOC(=O)NC 34a_100102657272_200011997002 [2,0,0,0,0,0|2,0,0]=4 5280 B8R0.6 CNCCOC(=O)NC 7a_106832991635_200011997002 [2,0,0,0,0,0|2,0,0]=4 5281 B8R0.6 COC(=O)OCCO[13CH3] 34a_100010262106_200025704644 [2,0,0,0,0,0|2,0,0]=4 5282 B8R0.6 COCCOC(=O)OC 34a_100010262106_200000210301 [2,0,0,0,0,0|2,0,0]=4 5283 B10R0.3 CC(C)CCOC(C)CCBr 34a_100012276601_100000210312 [1,1,0,0,0,0|1,0,1]=4 5284 B10R0.3 CC(C)CCOC(C)CCO 34a_100000210254_100009893172 [1,1,0,0,0,0|1,0,1]=4 5285 B10R0.3 CC(C)CCOC(C)CCO 7a_100000210254_100009893172 [1,1,0,0,0,0|1,0,1]=4 5286 B10R0.3 CCCC(C)CNCC(C)C 2230a_100000210953_100011216630 [1,1,0,0,0,0|2,0,0]=4 5287 B10R0.3 CCCC(C)CNCC(C)C 270004a_100000210953_100000243154 [1,1,0,0,0,0|2,0,0]=4 5288 B10R0.3 CCCC(C)CNCC(C)C 34a_100000210953_100011216630 [1,1,0,0,0,0|2,0,0]=4 5289 B10R0.3 CCCC(C)COCC(C)C 34a_100000210257_100011216630 [1,1,0,0,0,0|2,0,0]=4 5290 B10R0.3 CCCC(C)COCC(C)C 34a_100000688023_100000210624 [1,1,0,0,0,0|2,0,0]=4 5291 B10R0.3 CCCC(C)COCC(C)C 7a_100000688023_100000210760 [1,1,0,0,0,0|2,0,0]=4 5292 B10R0.3 CCCC(C)CSCC(C)C 62a_100000210624_100011216630 [1,1,0,0,0,0|2,0,0]=4 5293 B10R0.3 CCCC(C)CSCC(C)C 62a_100011216630_100000210760 [1,1,0,0,0,0|2,0,0]=4 5294 B10R0.3 CCCC(C)NCCC(C)C 2230a_100000741246_100000210312 [1,1,0,0,0,0|1,0,1]=4 5295 B10R0.3 CCCC(C)NCCC(C)C 269862a_100000741246_100000185833 [1,1,0,0,0,0|1,0,1]=4 5296 B10R0.3 CCCC(C)NCCC(C)C 270004a_100000210545_100000211909 [1,1,0,0,0,0|1,0,1]=4 5297 B10R0.3 CCCC(C)OCCC(C)Br 34a_100009893172_100000766640 [1,1,0,0,0,0|1,0,1]=4 5298 B10R0.3 CCCC(C)OCCC(C)C 34a_100000210254_100000766640 [1,1,0,0,0,0|0,0,1]=3 5299 B10R0.3 CCCC(C)OCCC(C)C 34a_100000764384_100000210312 [1,1,0,0,0,0|0,0,1]=3 5300 B10R0.3 CCCC(C)OCCC(C)C 7a_100000210254_100000766640 [1,1,0,0,0,0|0,0,1]=3 5301 B10R0.3 CCCC(C)OCCC(C)C 7a_100000764384_100000210626 [1,1,0,0,0,0|0,0,1]=3 5302 B10R0.3 CCCC(C)OCCC(C)O 34a_100000764384_100012276601 [1,1,0,0,0,0|1,0,1]=4 5303 B10R0.3 CCCC(C)OCCC(C)O 7a_100000764384_100012276601 [1,1,0,0,0,0|1,0,1]=4 5304 B10R0.3 CCCC(C)OCCN(C)C 7a_100000764384_100000755713 [1,1,0,0,0,0|1,0,1]=4 5305 B10R0.3 CCCC(C)OCC[C@@H](C)N 34a_100000706166_100000766640 [1,1,0,0,0,0|1,0,1]=4 5306 B10R0.3 CCCC(C)OCOC(C)C 34a_100000764384_100000709892 [1,1,0,0,0,0|1,0,1]=4 5307 B10R0.3 CCCC(C)SCCC(C)C 62a_100000210312_100000766640 [1,1,0,0,0,0|0,1,1]=4 5308 B10R0.3 CCCC(C)SCCC(C)C 62a_100000766640_100000210312 [1,1,0,0,0,0|0,1,1]=4 5309 B10R0.3 CCC[C@H](N)COCC(C)C 34a_100000732646_100000210624 [1,1,0,0,0,0|2,0,0]=4 5310 B10R0.3 COCC(C)OCCC(C)C 34a_100000210254_100000765312 [1,1,0,0,0,0|1,0,1]=4 5311 B10R0.3 COCC(C)OCCC(C)C 7a_100000210254_100000765312 [1,1,0,0,0,0|1,0,1]=4 5312 B10R0.3 COC[C@@H](C)OCCC(C)C 34a_100011934205_100000210312 [1,1,0,0,0,0|1,0,1]=4 5313 B10R0.4 C#CCCCOCCC(C)C 34a_100000210254_100000695029 [1,1,0,0,0,0|0,0,2]=4 5314 B10R0.4 C#CCCCOCCC(C)C 34a_100000215630_100000210312 [1,1,0,0,0,0|0,0,2]=4 5315 B10R0.4 C#CCCCOCCC(C)C 7a_100000210254_100011215417 [1,1,0,0,0,0|0,0,2]=4 5316 B10R0.4 C#CCCCOCCC(C)C 7a_100000215630_100000210626 [1,1,0,0,0,0|0,0,2]=4 5317 B10R0.4 C/C=C/CCOCCC(C)C 34a_100016278192_100000210312 [1,1,0,0,0,0|0,0,2]=4 5318 B10R0.4 C=CCCCOCCC(C)C 34a_100000210254_100000757094 [1,1,0,0,0,0|0,0,2]=4 5319 B10R0.4 C=CCCCOCCC(C)C 34a_100000758997_100000210312 [1,1,0,0,0,0|0,0,2]=4 5320 B10R0.4 C=CCCCOCCC(C)C 7a_100000210254_100000757094 [1,1,0,0,0,0|0,0,2]=4 5321 B10R0.4 C=CCCCOCCC(C)C 7a_100000758997_100000210626 [1,1,0,0,0,0|0,0,2]=4 5322 B10R0.4 CC#CCCOCCC(C)C 34a_100000750427_100000210312 [1,1,0,0,0,0|0,0,2]=4 5323 B10R0.4 CC(Br)CCOCCCCF 34a_100009893172_100000729493 [1,1,0,0,0,0|1,0,1]=4 5324 B10R0.4 CC(Br)CCOCCCCO 34a_100009893172_100011216708 [1,1,0,0,0,0|1,0,1]=4 5325 B10R0.4 CC(C)CCCCCCN[13CH3] 2230a_100000211014_200025704644 [1,1,0,0,0,0|1,0,1]=4 5326 B10R0.4 CC(C)CCCCCCN[13CH3] 34a_100000211014_200025704644 [1,1,0,0,0,0|1,0,1]=4 5327 B10R0.4 CC(C)CCCOCCCBr 34a_100011217188_100011214892 [1,1,0,0,0,0|1,0,1]=4 5328 B10R0.4 CC(C)CCCOCCCCl 34a_100000230001_100011214892 [1,1,0,0,0,0|1,0,1]=4 5329 B10R0.4 CC(C)CCCOCCCF 34a_100000210774_100011934791 [1,1,0,0,0,0|1,0,1]=4 5330 B10R0.4 CC(C)CCCOCCCF 34a_100000759539_100011214892 [1,1,0,0,0,0|1,0,1]=4 5331 B10R0.4 CC(C)CCCOCCCF 7a_100000210774_100011934791 [1,1,0,0,0,0|1,0,1]=4 5332 B10R0.4 CC(C)CCCOCCCN 34a_100000182051_100011214892 [1,1,0,0,0,0|1,0,1]=4 5333 B10R0.4 CC(C)CCCOCCCO 34a_100000210774_100000230001 [1,1,0,0,0,0|1,0,1]=4 5334 B10R0.4 CC(C)CCCOCCCO 7a_100000210774_100011215043 [1,1,0,0,0,0|1,0,1]=4 5335 B10R0.4 CC(C)CCNCCCCO 2230a_100000750430_100000210312 [1,1,0,0,0,0|1,0,1]=4 5336 B10R0.4 CC(C)CCNCCCCO 269862a_100000750430_100000185833 [1,1,0,0,0,0|1,0,1]=4 5337 B10R0.4 CC(C)CCNCCCCO 34a_100000750430_100000210312 [1,1,0,0,0,0|1,0,1]=4 5338 B10R0.4 CC(C)CCOCCCC#N 7a_100000210254_100000687738 [1,1,0,0,0,0|0,0,2]=4 5339 B10R0.4 CC(C)CCOCCCC=O 7a_100000210254_200011292268 [1,1,0,0,0,0|0,0,2]=4 5340 B10R0.4 CC(C)CCOCCCCBr 34a_100011216708_100000210312 [1,1,0,0,0,0|0,0,1]=3 5341 B10R0.4 CC(C)CCOCCCCCl 34a_100000210776_100000210312 [1,1,0,0,0,0|0,0,1]=3 5342 B10R0.4 CC(C)CCOCCCCCl 7a_100000210776_100000210626 [1,1,0,0,0,0|0,0,1]=3 5343 B10R0.4 CC(C)CCOCCCCF 34a_100000210254_100000729493 [1,1,0,0,0,0|0,0,1]=3 5344 B10R0.4 CC(C)CCOCCCCF 34a_100011995726_100000210312 [1,1,0,0,0,0|0,0,1]=3 5345 B10R0.4 CC(C)CCOCCCCF 7a_100000210254_100000729493 [1,1,0,0,0,0|0,0,1]=3 5346 B10R0.4 CC(C)CCOCCCCF 7a_100011995726_100000210626 [1,1,0,0,0,0|0,0,1]=3 5347 B10R0.4 CC(C)CCOCCCCI 34a_200012148704_100000210312 [1,1,0,0,0,0|0,0,1]=3 5348 B10R0.4 CC(C)CCOCCCCN 34a_100000750430_100000210312 [1,1,0,0,0,0|0,0,1]=3 5349 B10R0.4 CC(C)CCOCCCCO 34a_100000210254_100011216708 [1,1,0,0,0,0|0,0,1]=3 5350 B10R0.4 CC(C)CCOCCCCO 7a_100000210254_100000210776 [1,1,0,0,0,0|0,0,1]=3 5351 B10R0.4 CC(C)CCSCCCCF 62a_100000210312_100000729493 [1,1,0,0,0,0|0,1,1]=4 5352 B10R0.4 CC(C)CCSCCCCF 62a_100000729493_100000210312 [1,1,0,0,0,0|0,1,1]=4 5353 B10R0.4 CC(C)CCSCCCCO 62a_100000210312_100000210776 [1,1,0,0,0,0|0,1,1]=4 5354 B10R0.4 CC(C)CCSCCCCO 62a_100000210776_100000210312 [1,1,0,0,0,0|0,1,1]=4 5355 B10R0.4 CC(C)CNCCCCCF 2230a_100000210953_100000729378 [1,1,0,0,0,0|2,0,0]=4 5356 B10R0.4 CC(C)CNCCCCCF 34a_100000210953_100000729378 [1,1,0,0,0,0|2,0,0]=4 5357 B10R0.4 CC(C)CNCCCCCO 2230a_100000210953_100000746330 [1,1,0,0,0,0|2,0,0]=4 5358 B10R0.4 CC(C)CNCCCCCO 2230a_100000762737_100000210760 [1,1,0,0,0,0|2,0,0]=4 5359 B10R0.4 CC(C)CNCCCCCO 270004a_100000762737_100000210432 [1,1,0,0,0,0|2,0,0]=4 5360 B10R0.4 CC(C)CNCCCCCO 34a_100000210953_100000746330 [1,1,0,0,0,0|2,0,0]=4 5361 B10R0.4 CC(C)CNCCCCCO 34a_100000762737_100000210624 [1,1,0,0,0,0|2,0,0]=4 5362 B10R0.4 CC(C)COCCCCCBr 34a_100000746331_100000210624 [1,1,0,0,0,0|2,0,0]=4 5363 B10R0.4 CC(C)COCCCCCBr 7a_100000746331_100000210760 [1,1,0,0,0,0|2,0,0]=4 5364 B10R0.4 CC(C)COCCCCCCl 34a_100000746330_100000210624 [1,1,0,0,0,0|2,0,0]=4 5365 B10R0.4 CC(C)COCCCCCCl 7a_100000746330_100000210760 [1,1,0,0,0,0|2,0,0]=4 5366 B10R0.4 CC(C)COCCCCCF 34a_100000210257_100000729378 [1,1,0,0,0,0|2,0,0]=4 5367 B10R0.4 CC(C)COCCCCCI 34a_200012148887_100000210624 [1,1,0,0,0,0|2,0,0]=4 5368 B10R0.4 CC(C)COCCCCCI 7a_200012148887_100000210760 [1,1,0,0,0,0|2,0,0]=4 5369 B10R0.4 CC(C)COCCCCCN 34a_100000762737_100000210624 [1,1,0,0,0,0|2,0,0]=4 5370 B10R0.4 CC(C)COCCCCCO 34a_100000210257_100000746330 [1,1,0,0,0,0|2,0,0]=4 5371 B10R0.4 CC(C)CSCCCCCF 62a_100000210624_100000729378 [1,1,0,0,0,0|2,0,0]=4 5372 B10R0.4 CC(C)CSCCCCCF 62a_100000729378_100000210760 [1,1,0,0,0,0|2,0,0]=4 5373 B10R0.4 CC(C)CSCCCCCO 62a_100000210624_100000746330 [1,1,0,0,0,0|2,0,0]=4 5374 B10R0.4 CC(C)CSCCCCCO 62a_100000746330_100000210760 [1,1,0,0,0,0|2,0,0]=4 5375 B10R0.4 CC(C)NCCOCCCF 34a_100000224655_100011934791 [1,1,0,0,0,0|1,0,1]=4 5376 B10R0.4 CC(C)NCCOCCCO 34a_100000224655_100000230001 [1,1,0,0,0,0|1,0,1]=4 5377 B10R0.4 CC(C)OCCOCCCBr 34a_100011217188_100000211751 [1,1,0,0,0,0|1,0,1]=4 5378 B10R0.4 CC(C)OCCOCCCCl 34a_100000230001_100000211751 [1,1,0,0,0,0|1,0,1]=4 5379 B10R0.4 CC(C)OCCOCCCF 34a_100000211219_100011934791 [1,1,0,0,0,0|1,0,1]=4 5380 B10R0.4 CC(C)OCCOCCCF 34a_100000759539_100000211751 [1,1,0,0,0,0|1,0,1]=4 5381 B10R0.4 CC(C)OCCOCCCF 7a_100000211219_100011934791 [1,1,0,0,0,0|1,0,1]=4 5382 B10R0.4 CC(C)OCCOCCCN 34a_100000182051_100000211751 [1,1,0,0,0,0|1,0,1]=4 5383 B10R0.4 CC(C)OCCOCCCO 34a_100000211219_100000230001 [1,1,0,0,0,0|1,0,1]=4 5384 B10R0.4 CC(C)OCCOCCCO 7a_100000211219_100011215043 [1,1,0,0,0,0|1,0,1]=4 5385 B10R0.4 CC(C)OCOCCCCBr 34a_100011216708_100000709892 [1,1,0,0,0,0|1,0,1]=4 5386 B10R0.4 CC(C)OCOCCCCCl 34a_100000210776_100000709892 [1,1,0,0,0,0|1,0,1]=4 5387 B10R0.4 CC(C)OCOCCCCF 34a_100011995726_100000709892 [1,1,0,0,0,0|1,0,1]=4 5388 B10R0.4 CC(C)OCOCCCCI 34a_200012148704_100000709892 [1,1,0,0,0,0|1,0,1]=4 5389 B10R0.4 CC(C)OCOCCCCN 34a_100000750430_100000709892 [1,1,0,0,0,0|1,0,1]=4 5390 B10R0.4 CC(C)SCCOCCCBr 34a_100011217188_100000730970 [1,1,0,0,0,0|1,0,1]=4 5391 B10R0.4 CC(C)SCCOCCCCl 34a_100000230001_100000730970 [1,1,0,0,0,0|1,0,1]=4 5392 B10R0.4 CC(C)SCCOCCCF 34a_100000759539_100000730970 [1,1,0,0,0,0|1,0,1]=4 5393 B10R0.4 CC(C)SCCOCCCF 34a_200011212901_100011934791 [1,1,0,0,0,0|1,0,1]=4 5394 B10R0.4 CC(C)SCCOCCCF 7a_200011212901_100011934791 [1,1,0,0,0,0|1,0,1]=4 5395 B10R0.4 CC(C)SCCOCCCN 34a_100000182051_100000730970 [1,1,0,0,0,0|1,0,1]=4 5396 B10R0.4 CC(C)SCCOCCCO 34a_200011212901_100000230001 [1,1,0,0,0,0|1,0,1]=4 5397 B10R0.4 CC(C)SCCOCCCO 7a_200011212901_100011215043 [1,1,0,0,0,0|1,0,1]=4 5398 B10R0.4 CC(O)CCOCCCCBr 34a_100011216708_100012276601 [1,1,0,0,0,0|1,0,1]=4 5399 B10R0.4 CC(O)CCOCCCCCl 34a_100000210776_100012276601 [1,1,0,0,0,0|1,0,1]=4 5400 B10R0.4 CC(O)CCOCCCCCl 7a_100000210776_100012276601 [1,1,0,0,0,0|1,0,1]=4 5401 B10R0.4 CC(O)CCOCCCCF 34a_100011995726_100012276601 [1,1,0,0,0,0|1,0,1]=4 5402 B10R0.4 CC(O)CCOCCCCF 7a_100011995726_100012276601 [1,1,0,0,0,0|1,0,1]=4 5403 B10R0.4 CC(O)CCOCCCCI 34a_200012148704_100012276601 [1,1,0,0,0,0|1,0,1]=4 5404 B10R0.4 CC(O)CCOCCCCN 34a_100000750430_100012276601 [1,1,0,0,0,0|1,0,1]=4 5405 B10R0.4 CC/C=C\COCCC(C)C 34a_100000210254_100103147603 [1,1,0,0,0,0|0,0,2]=4 5406 B10R0.4 CC/C=C\COCCC(C)C 34a_100016268518_100000210312 [1,1,0,0,0,0|0,0,2]=4 5407 B10R0.4 CC/C=C\COCCC(C)C 7a_100000210254_100103147603 [1,1,0,0,0,0|0,0,2]=4 5408 B10R0.4 CCC#CCOCCC(C)C 34a_100000032950_100000210312 [1,1,0,0,0,0|0,0,2]=4 5409 B10R0.4 CCC#CCOCCC(C)C 34a_100000210254_100009813939 [1,1,0,0,0,0|0,0,2]=4 5410 B10R0.4 CCC#CCOCCC(C)C 7a_100000210254_100009813939 [1,1,0,0,0,0|0,0,2]=4 5411 B10R0.4 CCCC/C=C/COC(C)C 34a_200016272032_100000210206 [1,1,0,0,0,0|1,0,0]=3 5412 B10R0.4 CCCC/C=C/COC(C)C 7a_200016272032_100000210206 [1,1,0,0,0,0|1,0,0]=3 5413 B10R0.4 CCCCC#CCOC(C)C 34a_200000034558_100000210206 [1,1,0,0,0,0|1,0,1]=4 5414 B10R0.4 CCCCC#CCOC(C)C 7a_200000034558_100000210206 [1,1,0,0,0,0|1,0,1]=4 5415 B10R0.4 CCCCCC=NNC(C)C 4a_100000741168_100000737632 [1,1,0,0,0,0|2,0,0]=4 5416 B10R0.4 CCCCCCCNC(C)C 2230a_100000229938_100000210206 [1,1,0,0,0,0|1,0,1]=4 5417 B10R0.4 CCCCCCCNC(C)C 2230a_100138425928_100000210681 [1,1,0,0,0,0|1,0,1]=4 5418 B10R0.4 CCCCCCCNC(C)C 34a_100138425928_100000210614 [1,1,0,0,0,0|1,0,1]=4 5419 B10R0.4 CCCCCCCOC(C)C 34a_100000210272_100000210206 [1,1,0,0,0,0|1,0,1]=4 5420 B10R0.4 CCCCCCCOC(C)C 34a_100000212225_100000210614 [1,1,0,0,0,0|1,0,1]=4 5421 B10R0.4 CCCCCCCOC(C)C 7a_100000210272_100000210206 [1,1,0,0,0,0|1,0,1]=4 5422 B10R0.4 CCCCCCCSC(C)C 62a_100000210206_100000210316 [1,1,0,0,0,0|1,0,1]=4 5423 B10R0.4 CCCCCCCSC(C)C 62a_100000210614_100000210206 [1,1,0,0,0,0|1,0,1]=4 5424 B10R0.4 CCCCCCNCC(C)C 2230a_100000210581_100000210760 [1,1,0,0,0,0|1,0,1]=4 5425 B10R0.4 CCCCCCNCC(C)C 2230a_100000210953_100000210314 [1,1,0,0,0,0|1,0,1]=4 5426 B10R0.4 CCCCCCNCC(C)C 270004a_100000210581_100000210432 [1,1,0,0,0,0|1,0,1]=4 5427 B10R0.4 CCCCCCNCC(C)C 34a_100000210953_100000210314 [1,1,0,0,0,0|1,0,1]=4 5428 B10R0.4 CCCCCCOCC(C)C 34a_100000210257_100000210314 [1,1,0,0,0,0|1,0,1]=4 5429 B10R0.4 CCCCCCOCC(C)C 34a_100000210259_100000210624 [1,1,0,0,0,0|1,0,1]=4 5430 B10R0.4 CCCCCCOCC(C)C 7a_100000210259_100000210760 [1,1,0,0,0,0|1,0,1]=4 5431 B10R0.4 CCCCCCSCC(C)C 62a_100000210314_100000210760 [1,1,0,0,0,0|1,0,1]=4 5432 B10R0.4 CCCCCCSCC(C)C 62a_100000210624_100000210757 [1,1,0,0,0,0|1,0,1]=4 5433 B10R0.4 CCCCCNCCC(C)C 2230a_100000209983_100000210312 [1,1,0,0,0,0|1,0,1]=4 5434 B10R0.4 CCCCCNCCC(C)C 269862a_100000209983_100000185833 [1,1,0,0,0,0|1,0,1]=4 5435 B10R0.4 CCCCCNCOC(C)C 2230a_100000209983_100000709892 [1,1,0,0,0,0|2,0,0]=4 5436 B10R0.4 CCCCCOCCC(C)Br 34a_100009893172_100000718602 [1,1,0,0,0,0|1,0,1]=4 5437 B10R0.4 CCCCCOCCC(C)C 34a_100000210253_100000210312 [1,1,0,0,0,0|0,0,1]=3 5438 B10R0.4 CCCCCOCCC(C)C 34a_100000210254_100000718602 [1,1,0,0,0,0|0,0,1]=3 5439 B10R0.4 CCCCCOCCC(C)C 7a_100000210253_100000210626 [1,1,0,0,0,0|0,0,1]=3 5440 B10R0.4 CCCCCOCCC(C)C 7a_100000210254_100000210326 [1,1,0,0,0,0|0,0,1]=3 5441 B10R0.4 CCCCCOCCC(C)O 34a_100000210253_100012276601 [1,1,0,0,0,0|1,0,1]=4 5442 B10R0.4 CCCCCOCCC(C)O 7a_100000210253_100012276601 [1,1,0,0,0,0|1,0,1]=4 5443 B10R0.4 CCCCCOCCN(C)C 7a_100000210253_100000755713 [1,1,0,0,0,0|1,0,1]=4 5444 B10R0.4 CCCCCOCC[C@@H](C)N 34a_100000706166_100000718602 [1,1,0,0,0,0|1,0,1]=4 5445 B10R0.4 CCCCCOCOC(C)C 34a_100000210253_100000709892 [1,1,0,0,0,0|1,0,1]=4 5446 B10R0.4 CCCCCSCCC(C)C 62a_100000210312_100000210326 [1,1,0,0,0,0|0,1,1]=4 5447 B10R0.4 CCCCCSCCC(C)C 62a_100000210326_100000210312 [1,1,0,0,0,0|0,1,1]=4 5448 B10R0.4 CCCCCSCOC(C)C 62a_100000210326_100000709892 [1,1,0,0,0,0|2,0,0]=4 5449 B10R0.4 CCCCCSCOC(C)C 62a_100000709892_100000210326 [1,1,0,0,0,0|2,0,0]=4 5450 B10R0.4 CCCCNCCCC(C)C 2230a_100000102301_100011214892 [1,1,0,0,0,0|1,0,1]=4 5451 B10R0.4 CCCCNCCCC(C)C 2230a_200000737386_100000210211 [1,1,0,0,0,0|1,0,1]=4 5452 B10R0.4 CCCCNCCCC(C)C 34a_200000737386_100000210210 [1,1,0,0,0,0|1,0,1]=4 5453 B10R0.4 CCCCNCCCC(C)C 7a_106832991798_100011214892 [1,1,0,0,0,0|1,0,1]=4 5454 B10R0.4 CCCCNCCOC(C)C 2230a_100000102301_100000211751 [1,1,0,0,0,0|1,0,1]=4 5455 B10R0.4 CCCCNCCOC(C)C 2230a_100000701111_100000210211 [1,1,0,0,0,0|1,0,1]=4 5456 B10R0.4 CCCCNCCOC(C)C 34a_100000701111_100000210210 [1,1,0,0,0,0|1,0,1]=4 5457 B10R0.4 CCCCNCCOC(C)C 7a_106832991798_100000211751 [1,1,0,0,0,0|1,0,1]=4 5458 B10R0.4 CCCCNCCSC(C)C 2230a_100000102301_100000730970 [1,1,0,0,0,0|1,0,1]=4 5459 B10R0.4 CCCCNCCSC(C)C 2230a_100000731138_100000210211 [1,1,0,0,0,0|1,0,1]=4 5460 B10R0.4 CCCCNCCSC(C)C 34a_100000731138_100000210210 [1,1,0,0,0,0|1,0,1]=4 5461 B10R0.4 CCCCNCCSC(C)C 7a_106832991798_100000730970 [1,1,0,0,0,0|1,0,1]=4 5462 B10R0.4 CCCCNN=CCC(C)C 4a_100025702795_100000185833 [1,1,0,0,0,0|1,0,0]=3 5463 B10R0.4 CCCCOCCC=C(C)C 34a_100000210227_100011217483 [1,1,0,0,0,0|0,0,2]=4 5464 B10R0.4 CCCCOCCC=C(C)C 7a_100000210227_100011217483 [1,1,0,0,0,0|0,0,2]=4 5465 B10R0.4 CCCCOCCCC(C)C 34a_100000210227_100011214892 [1,1,0,0,0,0|0,0,1]=3 5466 B10R0.4 CCCCOCCCC(C)C 34a_100000210774_100000210210 [1,1,0,0,0,0|0,0,1]=3 5467 B10R0.4 CCCCOCCCC(C)C 7a_100000210227_100011214892 [1,1,0,0,0,0|0,0,1]=3 5468 B10R0.4 CCCCOCCCC(C)C 7a_100000210774_100000210211 [1,1,0,0,0,0|0,0,1]=3 5469 B10R0.4 CCCCOCCCC(C)O 34a_100000210227_200000718107 [1,1,0,0,0,0|1,0,1]=4 5470 B10R0.4 CCCCOCCCC(C)O 7a_100000210227_200000718107 [1,1,0,0,0,0|1,0,1]=4 5471 B10R0.4 CCCCOCCCN(C)C 7a_100000210227_100000757444 [1,1,0,0,0,0|1,0,1]=4 5472 B10R0.4 CCCCOCCNC(C)C 2230a_100138425928_100000743108 [1,1,0,0,0,0|0,0,1]=3 5473 B10R0.4 CCCCOCCNC(C)C 34a_100000224655_100000210210 [1,1,0,0,0,0|0,0,1]=3 5474 B10R0.4 CCCCOCCNC(C)C 34a_100138425928_100000743108 [1,1,0,0,0,0|0,0,1]=3 5475 B10R0.4 CCCCOCCOC(C)C 34a_100000210227_100000211751 [1,1,0,0,0,0|0,0,1]=3 5476 B10R0.4 CCCCOCCOC(C)C 34a_100000210238_100000210206 [1,1,0,0,0,0|0,0,1]=3 5477 B10R0.4 CCCCOCCOC(C)C 34a_100000211219_100000210210 [1,1,0,0,0,0|0,0,1]=3 5478 B10R0.4 CCCCOCCOC(C)C 34a_100000212225_100000743108 [1,1,0,0,0,0|0,0,1]=3 5479 B10R0.4 CCCCOCCOC(C)C 7a_100000210227_100000211751 [1,1,0,0,0,0|0,0,1]=3 5480 B10R0.4 CCCCOCCOC(C)C 7a_100000210238_100000210206 [1,1,0,0,0,0|0,0,1]=3 5481 B10R0.4 CCCCOCCOC(C)C 7a_100000211219_100000210211 [1,1,0,0,0,0|0,0,1]=3 5482 B10R0.4 CCCCOCCSC(C)C 34a_100000210227_100000730970 [1,1,0,0,0,0|0,0,1]=3 5483 B10R0.4 CCCCOCCSC(C)C 34a_200011212901_100000210210 [1,1,0,0,0,0|0,0,1]=3 5484 B10R0.4 CCCCOCCSC(C)C 62a_100000210206_100000743108 [1,1,0,0,0,0|0,0,1]=3 5485 B10R0.4 CCCCOCCSC(C)C 62a_100000743108_100000210206 [1,1,0,0,0,0|0,0,1]=3 5486 B10R0.4 CCCCOCCSC(C)C 7a_100000210227_100000730970 [1,1,0,0,0,0|0,0,1]=3 5487 B10R0.4 CCCCOCCSC(C)C 7a_200011212901_100000210211 [1,1,0,0,0,0|0,0,1]=3 5488 B10R0.4 CCCCOCNCC(C)C 2230a_100000210953_100011995733 [1,1,0,0,0,0|0,0,1]=3 5489 B10R0.4 CCCCOCNCC(C)C 34a_100000210953_100011995733 [1,1,0,0,0,0|0,0,1]=3 5490 B10R0.4 CCCCOCNCC(C)O 2230a_100000210904_100011995733 [1,1,0,0,0,0|1,0,1]=4 5491 B10R0.4 CCCCOCNCC(C)O 34a_100000210904_100011995733 [1,1,0,0,0,0|1,0,1]=4 5492 B10R0.4 CCCCOCOCC(C)Br 34a_100012180447_100011995733 [1,1,0,0,0,0|1,0,1]=4 5493 B10R0.4 CCCCOCOCC(C)C 34a_100000210257_100011995733 [1,1,0,0,0,0|0,0,1]=3 5494 B10R0.4 CCCCOCOCC(C)F 34a_100015925927_100011995733 [1,1,0,0,0,0|1,0,1]=4 5495 B10R0.4 CCCCOCOC[C@@H](C)Cl 34a_100016084084_100011995733 [1,1,0,0,0,0|1,0,1]=4 5496 B10R0.4 CCCCOCOC[C@@H](C)N 34a_100000737577_100011995733 [1,1,0,0,0,0|1,0,1]=4 5497 B10R0.4 CCCCOCSCC(C)C 62a_100000210624_100011995733 [1,1,0,0,0,0|0,0,1]=3 5498 B10R0.4 CCCCOCSCC(C)C 62a_100011995733_100000210760 [1,1,0,0,0,0|0,0,1]=3 5499 B10R0.4 CCCCOCSCC(C)O 62a_100011218427_100011995733 [1,1,0,0,0,0|1,0,1]=4 5500 B10R0.4 CCCCOCSCC(C)O 62a_100011995733_100011218427 [1,1,0,0,0,0|1,0,1]=4 5501 B10R0.4 CCCCOCSC[C@@H](C)O 62a_100009817552_100011995733 [1,1,0,0,0,0|1,0,1]=4 5502 B10R0.4 CCCCOCSC[C@@H](C)O 62a_100011995733_100009817552 [1,1,0,0,0,0|1,0,1]=4 5503 B10R0.4 CCCCSCCCC(C)C 62a_100000210211_100011214892 [1,1,0,0,0,0|0,1,1]=4 5504 B10R0.4 CCCCSCCCC(C)C 62a_100011214892_100000210210 [1,1,0,0,0,0|0,1,1]=4 5505 B10R0.4 CCCCSCCNC(C)C 2230a_100025743550_100000210206 [1,1,0,0,0,0|0,1,1]=4 5506 B10R0.4 CCCCSCCOC(C)C 34a_200000230436_100000210206 [1,1,0,0,0,0|0,1,1]=4 5507 B10R0.4 CCCCSCCOC(C)C 62a_100000210211_100000211751 [1,1,0,0,0,0|0,1,1]=4 5508 B10R0.4 CCCCSCCOC(C)C 62a_100000211751_100000210210 [1,1,0,0,0,0|0,1,1]=4 5509 B10R0.4 CCCCSCCOC(C)C 7a_200000230436_100000210206 [1,1,0,0,0,0|0,1,1]=4 5510 B10R0.4 CCCCSCCSC(C)C 62a_100000210211_100000730970 [1,1,0,0,0,0|0,1,1]=4 5511 B10R0.4 CCCCSCCSC(C)C 62a_100000730970_100000210210 [1,1,0,0,0,0|0,1,1]=4 5512 B10R0.4 CCCOCCCCC(C)C 34a_100000210258_100011216152 [1,1,0,0,0,0|1,0,1]=4 5513 B10R0.4 CCCOCCCCC(C)C 34a_100011214890_100000210303 [1,1,0,0,0,0|1,0,1]=4 5514 B10R0.4 CCCOCCCCC(C)C 7a_100011214890_100000210303 [1,1,0,0,0,0|1,0,1]=4 5515 B10R0.4 CCCOCCNCC(C)C 2230a_100000210953_100011215938 [1,1,0,0,0,0|2,0,0]=4 5516 B10R0.4 CCCOCCNCC(C)C 2230a_100161115042_100000210760 [1,1,0,0,0,0|2,0,0]=4 5517 B10R0.4 CCCOCCNCC(C)C 270004a_100161115042_100000210432 [1,1,0,0,0,0|2,0,0]=4 5518 B10R0.4 CCCOCCNCC(C)C 34a_100000210953_100011215938 [1,1,0,0,0,0|2,0,0]=4 5519 B10R0.4 CCCOCCNCC(C)C 34a_100015185251_100000210303 [1,1,0,0,0,0|2,0,0]=4 5520 B10R0.4 CCCOCCNCC(C)C 34a_100161115042_100000210624 [1,1,0,0,0,0|2,0,0]=4 5521 B10R0.4 CCCOCCOCC(C)C 34a_100000210257_100011215938 [1,1,0,0,0,0|2,0,0]=4 5522 B10R0.4 CCCOCCOCC(C)C 34a_100000703358_100000210303 [1,1,0,0,0,0|2,0,0]=4 5523 B10R0.4 CCCOCCOCC(C)C 34a_100000752267_100000210624 [1,1,0,0,0,0|2,0,0]=4 5524 B10R0.4 CCCOCCOCC(C)C 7a_100000703358_100000210303 [1,1,0,0,0,0|2,0,0]=4 5525 B10R0.4 CCCOCCOCC(C)C 7a_100000752267_100000210760 [1,1,0,0,0,0|2,0,0]=4 5526 B10R0.4 CCCOCCSCC(C)C 34a_200000230437_100000210303 [1,1,0,0,0,0|2,0,0]=4 5527 B10R0.4 CCCOCCSCC(C)C 62a_100000210624_100011215938 [1,1,0,0,0,0|2,0,0]=4 5528 B10R0.4 CCCOCCSCC(C)C 62a_100011215938_100000210760 [1,1,0,0,0,0|2,0,0]=4 5529 B10R0.4 CCCOCCSCC(C)C 7a_200000230437_100000210303 [1,1,0,0,0,0|2,0,0]=4 5530 B10R0.4 CCCSCCCCC(C)C 62a_100000210303_100011216152 [1,1,0,0,0,0|1,0,1]=4 5531 B10R0.4 CCCSCCCCC(C)C 62a_100011216152_100000210303 [1,1,0,0,0,0|1,0,1]=4 5532 B10R0.4 CCCSCCNCC(C)C 2230a_100020603323_100000210760 [1,1,0,0,0,0|2,0,0]=4 5533 B10R0.4 CCCSCCNCC(C)C 270004a_100020603323_100000210432 [1,1,0,0,0,0|2,0,0]=4 5534 B10R0.4 CCCSCCOCC(C)C 34a_200000230433_100000210624 [1,1,0,0,0,0|2,0,0]=4 5535 B10R0.4 CCCSCCOCC(C)C 7a_200000230433_100000210760 [1,1,0,0,0,0|2,0,0]=4 5536 B10R0.4 CCNCCCCCC(C)C 2230a_100011290863_100000210202 [1,1,0,0,0,0|1,0,1]=4 5537 B10R0.4 CCNCCCCCC(C)C 2230a_100015525214_100000210682 [1,1,0,0,0,0|1,0,1]=4 5538 B10R0.4 CCNCCCCCC(C)C 34a_100011290863_100000210202 [1,1,0,0,0,0|1,0,1]=4 5539 B10R0.4 CCNCCCOCC(C)C 2230a_100000205972_100000210202 [1,1,0,0,0,0|2,0,0]=4 5540 B10R0.4 CCNCCCOCC(C)C 34a_100000205972_100000210202 [1,1,0,0,0,0|2,0,0]=4 5541 B10R0.4 CCOCCCCCC(C)C 34a_100011995859_100000210202 [1,1,0,0,0,0|1,0,1]=4 5542 B10R0.4 CCOCCCCCC(C)C 34a_100121572206_100000210682 [1,1,0,0,0,0|1,0,1]=4 5543 B10R0.4 CCOCCCCCC(C)C 7a_100011995859_100000210202 [1,1,0,0,0,0|1,0,1]=4 5544 B10R0.4 CCOCCCNCC(C)C 2230a_100000210953_100012232248 [1,1,0,0,0,0|2,0,0]=4 5545 B10R0.4 CCOCCCNCC(C)C 2230a_100000210961_100000210760 [1,1,0,0,0,0|2,0,0]=4 5546 B10R0.4 CCOCCCNCC(C)C 270004a_100000210961_100000210432 [1,1,0,0,0,0|2,0,0]=4 5547 B10R0.4 CCOCCCNCC(C)C 34a_100000210953_100012232248 [1,1,0,0,0,0|2,0,0]=4 5548 B10R0.4 CCOCCCNCC(C)C 34a_100000210961_100000210624 [1,1,0,0,0,0|2,0,0]=4 5549 B10R0.4 CCOCCCOCC(C)C 34a_100000210257_100012232248 [1,1,0,0,0,0|2,0,0]=4 5550 B10R0.4 CCOCCCOCC(C)C 34a_100000757476_100000210624 [1,1,0,0,0,0|2,0,0]=4 5551 B10R0.4 CCOCCCOCC(C)C 7a_100000757476_100000210760 [1,1,0,0,0,0|2,0,0]=4 5552 B10R0.4 CCOCCCSCC(C)C 62a_100000210624_100012232248 [1,1,0,0,0,0|2,0,0]=4 5553 B10R0.4 CCOCCCSCC(C)C 62a_100012232248_100000210760 [1,1,0,0,0,0|2,0,0]=4 5554 B10R0.4 CCOCCNCCC(C)C 2230a_102516460346_100000210312 [1,1,0,0,0,0|1,0,1]=4 5555 B10R0.4 CCOCCNCCC(C)C 269862a_100011200944_100000185833 [1,1,0,0,0,0|1,0,1]=4 5556 B10R0.4 CCOCCNCCC(C)C 34a_102516460346_100000210312 [1,1,0,0,0,0|1,0,1]=4 5557 B10R0.4 CCOCCOCCC(C)Br 34a_100009893172_100000210147 [1,1,0,0,0,0|1,0,1]=4 5558 B10R0.4 CCOCCOCCC(C)C 34a_100000210136_100000210312 [1,1,0,0,0,0|0,0,1]=3 5559 B10R0.4 CCOCCOCCC(C)C 34a_100000210254_100000210147 [1,1,0,0,0,0|0,0,1]=3 5560 B10R0.4 CCOCCOCCC(C)C 7a_100000210136_100000210626 [1,1,0,0,0,0|0,0,1]=3 5561 B10R0.4 CCOCCOCCC(C)C 7a_100000210254_100011215890 [1,1,0,0,0,0|0,0,1]=3 5562 B10R0.4 CCOCCOCCC(C)O 34a_100000210136_100012276601 [1,1,0,0,0,0|1,0,1]=4 5563 B10R0.4 CCOCCOCCC(C)O 7a_100000210136_100012276601 [1,1,0,0,0,0|1,0,1]=4 5564 B10R0.4 CCOCCOCCN(C)C 2230a_100102631434_100011211534 [1,1,0,0,0,0|1,0,1]=4 5565 B10R0.4 CCOCCOCCN(C)C 269982a_100102631434_100011211534 [1,1,0,0,0,0|1,0,1]=4 5566 B10R0.4 CCOCCOCCN(C)C 7a_100000210136_100000755713 [1,1,0,0,0,0|1,0,1]=4 5567 B10R0.4 CCOCCOCC[C@@H](C)N 34a_100000706166_100000210147 [1,1,0,0,0,0|1,0,1]=4 5568 B10R0.4 CCOCCOCOC(C)C 34a_100000210136_100000709892 [1,1,0,0,0,0|1,0,1]=4 5569 B10R0.4 CCOCCSCCC(C)C 62a_100000210147_100000210312 [1,1,0,0,0,0|0,1,1]=4 5570 B10R0.4 CCOCCSCCC(C)C 62a_100000210312_100011215890 [1,1,0,0,0,0|0,1,1]=4 5571 B10R0.4 CCSCCCCCC(C)C 62a_100000210202_100000210682 [1,1,0,0,0,0|1,0,1]=4 5572 B10R0.4 CCSCCCCCC(C)C 62a_100000210682_100000210202 [1,1,0,0,0,0|1,0,1]=4 5573 B10R0.4 CCSCCCOCC(C)C 34a_100011216438_100000210624 [1,1,0,0,0,0|2,0,0]=4 5574 B10R0.4 CCSCCCOCC(C)C 7a_100011216438_100000210760 [1,1,0,0,0,0|2,0,0]=4 5575 B10R0.4 CCSCCNCCC(C)C 2230a_100000106463_100000210312 [1,1,0,0,0,0|1,0,1]=4 5576 B10R0.4 CCSCCNCCC(C)C 269862a_100000106463_100000185833 [1,1,0,0,0,0|1,0,1]=4 5577 B10R0.4 CCSCCOCCC(C)Br 34a_100009893172_100000757381 [1,1,0,0,0,0|1,0,1]=4 5578 B10R0.4 CCSCCOCCC(C)C 34a_100000210254_100000757381 [1,1,0,0,0,0|0,0,1]=3 5579 B10R0.4 CCSCCOCCC(C)C 34a_100000212035_100000210312 [1,1,0,0,0,0|0,0,1]=3 5580 B10R0.4 CCSCCOCCC(C)C 7a_100000210254_100000757381 [1,1,0,0,0,0|0,0,1]=3 5581 B10R0.4 CCSCCOCCC(C)C 7a_100000212035_100000210626 [1,1,0,0,0,0|0,0,1]=3 5582 B10R0.4 CCSCCOCCC(C)O 34a_100000212035_100012276601 [1,1,0,0,0,0|1,0,1]=4 5583 B10R0.4 CCSCCOCCC(C)O 7a_100000212035_100012276601 [1,1,0,0,0,0|1,0,1]=4 5584 B10R0.4 CCSCCOCCN(C)C 7a_100000212035_100000755713 [1,1,0,0,0,0|1,0,1]=4 5585 B10R0.4 CCSCCOCC[C@@H](C)N 34a_100000706166_100000757381 [1,1,0,0,0,0|1,0,1]=4 5586 B10R0.4 CCSCCOCOC(C)C 34a_100000212035_100000709892 [1,1,0,0,0,0|1,0,1]=4 5587 B10R0.4 CCSCCSCCC(C)C 62a_100000210312_100000757381 [1,1,0,0,0,0|0,1,1]=4 5588 B10R0.4 CCSCCSCCC(C)C 62a_100000757381_100000210312 [1,1,0,0,0,0|0,1,1]=4 5589 B10R0.4 CN(C)CCOCCCCCl 7a_100000210776_100000755713 [1,1,0,0,0,0|1,0,1]=4 5590 B10R0.4 CN(C)CCOCCCCF 7a_100011995726_100000755713 [1,1,0,0,0,0|1,0,1]=4 5591 B10R0.4 CNCCCCCCC(C)C 2230a_100000211014_200000210301 [1,1,0,0,0,0|1,0,1]=4 5592 B10R0.4 CNCCCCCCC(C)C 34a_100000211014_200000210301 [1,1,0,0,0,0|1,0,1]=4 5593 B10R0.4 CNCCCOCCC(C)C 34a_100000213112_100000210312 [1,1,0,0,0,0|0,0,1]=3 5594 B10R0.4 CNCCCOCCC(C)O 34a_100000213112_100012276601 [1,1,0,0,0,0|1,0,1]=4 5595 B10R0.4 CNCCCOCOC(C)C 34a_100000213112_100000709892 [1,1,0,0,0,0|1,0,1]=4 5596 B10R0.4 CNCCOCCOC(C)C 34a_100000228057_100000210206 [1,1,0,0,0,0|1,0,1]=4 5597 B10R0.4 COCCCCNCC(C)C 2230a_100000210953_100000730899 [1,1,0,0,0,0|2,0,0]=4 5598 B10R0.4 COCCCCNCC(C)C 34a_100000210953_100000755781 [1,1,0,0,0,0|2,0,0]=4 5599 B10R0.4 COCCCCOCC(C)C 34a_100000210257_100000755781 [1,1,0,0,0,0|2,0,0]=4 5600 B10R0.4 COCCCCOCC(C)C 34a_100000740925_100000210624 [1,1,0,0,0,0|2,0,0]=4 5601 B10R0.4 COCCCCSCC(C)C 62a_100000210624_100000730899 [1,1,0,0,0,0|2,0,0]=4 5602 B10R0.4 COCCCCSCC(C)C 62a_100000730899_100000210760 [1,1,0,0,0,0|2,0,0]=4 5603 B10R0.4 COCCCNCCC(C)C 269862a_100150723488_100000185833 [1,1,0,0,0,0|1,0,1]=4 5604 B10R0.4 COCCCNCCC(C)C 34a_100150723488_100000210312 [1,1,0,0,0,0|1,0,1]=4 5605 B10R0.4 COCCCOCCC(C)Br 34a_100009893172_100000740836 [1,1,0,0,0,0|1,0,1]=4 5606 B10R0.4 COCCCOCCC(C)C 34a_100000210254_100000740836 [1,1,0,0,0,0|0,0,1]=3 5607 B10R0.4 COCCCOCCC(C)C 34a_100000740835_100000210312 [1,1,0,0,0,0|0,0,1]=3 5608 B10R0.4 COCCCOCCC(C)C 7a_100000210254_100000740836 [1,1,0,0,0,0|0,0,1]=3 5609 B10R0.4 COCCCOCCC(C)O 34a_100000740835_100012276601 [1,1,0,0,0,0|1,0,1]=4 5610 B10R0.4 COCCCOCC[C@@H](C)N 34a_100000706166_100000740836 [1,1,0,0,0,0|1,0,1]=4 5611 B10R0.4 COCCCOCOC(C)C 34a_100000740835_100000709892 [1,1,0,0,0,0|1,0,1]=4 5612 B10R0.4 COCCCSCCC(C)C 62a_100000210312_100000709357 [1,1,0,0,0,0|0,1,1]=4 5613 B10R0.4 COCCCSCCC(C)C 62a_100000709357_100000210312 [1,1,0,0,0,0|0,1,1]=4 5614 B10R0.4 COCCOCCCC(C)C 34a_100000210237_100011214892 [1,1,0,0,0,0|1,0,1]=4 5615 B10R0.4 COCCOCCCC(C)C 34a_100000210774_100011201679 [1,1,0,0,0,0|1,0,1]=4 5616 B10R0.4 COCCOCCCC(C)C 7a_100000210774_100000233755 [1,1,0,0,0,0|1,0,1]=4 5617 B10R0.4 COCCOCCNC(C)C 2230a_100000745349_100000210206 [1,1,0,0,0,0|1,0,1]=4 5618 B10R0.4 COCCOCCNC(C)C 2230a_100138425928_100000695917 [1,1,0,0,0,0|1,0,1]=4 5619 B10R0.4 COCCOCCNC(C)C 34a_100000224655_100011201679 [1,1,0,0,0,0|1,0,1]=4 5620 B10R0.4 COCCOCCNC(C)C 34a_100000745349_100000210206 [1,1,0,0,0,0|1,0,1]=4 5621 B10R0.4 COCCOCCNC(C)C 34a_100138425928_100000695917 [1,1,0,0,0,0|1,0,1]=4 5622 B10R0.4 COCCOCCOC(C)C 34a_100000210237_100000211751 [1,1,0,0,0,0|1,0,1]=4 5623 B10R0.4 COCCOCCOC(C)C 34a_100000211219_100011201679 [1,1,0,0,0,0|1,0,1]=4 5624 B10R0.4 COCCOCCOC(C)C 34a_100000212225_100000695917 [1,1,0,0,0,0|1,0,1]=4 5625 B10R0.4 COCCOCCOC(C)C 34a_100011215163_100000210206 [1,1,0,0,0,0|1,0,1]=4 5626 B10R0.4 COCCOCCOC(C)C 7a_100000211219_100000233755 [1,1,0,0,0,0|1,0,1]=4 5627 B10R0.4 COCCOCCOC(C)C 7a_100011215163_100000210206 [1,1,0,0,0,0|1,0,1]=4 5628 B10R0.4 COCCOCCSC(C)C 34a_100000210237_100000730970 [1,1,0,0,0,0|1,0,1]=4 5629 B10R0.4 COCCOCCSC(C)C 34a_200011212901_100011201679 [1,1,0,0,0,0|1,0,1]=4 5630 B10R0.4 COCCOCCSC(C)C 62a_100000210206_100000695917 [1,1,0,0,0,0|1,0,1]=4 5631 B10R0.4 COCCOCCSC(C)C 62a_100000695917_100000210206 [1,1,0,0,0,0|1,0,1]=4 5632 B10R0.4 COCCOCCSC(C)C 7a_200011212901_100000233755 [1,1,0,0,0,0|1,0,1]=4 5633 B10R0.4 COCCOCNCC(C)C 2230a_100000210953_100000231047 [1,1,0,0,0,0|1,0,1]=4 5634 B10R0.4 COCCOCSCC(C)C 62a_100000210624_100000231047 [1,1,0,0,0,0|1,0,1]=4 5635 B10R0.4 COCCOCSCC(C)C 62a_100000231047_100000210760 [1,1,0,0,0,0|1,0,1]=4 5636 B10R0.4 CSCCCCOCC(C)C 34a_100011217163_100000210624 [1,1,0,0,0,0|2,0,0]=4 5637 B10R0.4 CSCCCCOCC(C)C 7a_100011217163_100000210760 [1,1,0,0,0,0|2,0,0]=4 5638 B10R0.4 CSCCCNCCC(C)C 2230a_100000749238_100000210312 [1,1,0,0,0,0|1,0,1]=4 5639 B10R0.4 CSCCCNCCC(C)C 269862a_100000749238_100000185833 [1,1,0,0,0,0|1,0,1]=4 5640 B10R0.4 CSCCCOCCC(C)C 34a_100000690336_100000210312 [1,1,0,0,0,0|0,0,1]=3 5641 B10R0.4 CSCCCOCCC(C)C 7a_100000690336_100000210626 [1,1,0,0,0,0|0,0,1]=3 5642 B10R0.4 CSCCCOCCC(C)O 34a_100000690336_100012276601 [1,1,0,0,0,0|1,0,1]=4 5643 B10R0.4 CSCCCOCCC(C)O 7a_100000690336_100012276601 [1,1,0,0,0,0|1,0,1]=4 5644 B10R0.4 CSCCCOCCN(C)C 7a_100000690336_100000755713 [1,1,0,0,0,0|1,0,1]=4 5645 B10R0.4 CSCCCOCOC(C)C 34a_100000690336_100000709892 [1,1,0,0,0,0|1,0,1]=4 5646 B10R0.4 CSCCOCCCC(C)C 34a_100000210774_100000212216 [1,1,0,0,0,0|1,0,1]=4 5647 B10R0.4 CSCCOCCCC(C)C 34a_100000230434_100011214892 [1,1,0,0,0,0|1,0,1]=4 5648 B10R0.4 CSCCOCCCC(C)C 7a_100000210774_100000212216 [1,1,0,0,0,0|1,0,1]=4 5649 B10R0.4 CSCCOCCCC(C)C 7a_100000230434_100011214892 [1,1,0,0,0,0|1,0,1]=4 5650 B10R0.4 CSCCOCCNC(C)C 34a_100000224655_100000212216 [1,1,0,0,0,0|1,0,1]=4 5651 B10R0.4 CSCCOCCOC(C)C 34a_100000211219_100000212216 [1,1,0,0,0,0|1,0,1]=4 5652 B10R0.4 CSCCOCCOC(C)C 34a_100000230434_100000211751 [1,1,0,0,0,0|1,0,1]=4 5653 B10R0.4 CSCCOCCOC(C)C 7a_100000211219_100000212216 [1,1,0,0,0,0|1,0,1]=4 5654 B10R0.4 CSCCOCCOC(C)C 7a_100000230434_100000211751 [1,1,0,0,0,0|1,0,1]=4 5655 B10R0.4 CSCCOCCSC(C)C 34a_100000230434_100000730970 [1,1,0,0,0,0|1,0,1]=4 5656 B10R0.4 CSCCOCCSC(C)C 34a_200011212901_100000212216 [1,1,0,0,0,0|1,0,1]=4 5657 B10R0.4 CSCCOCCSC(C)C 7a_100000230434_100000730970 [1,1,0,0,0,0|1,0,1]=4 5658 B10R0.4 CSCCOCCSC(C)C 7a_200011212901_100000212216 [1,1,0,0,0,0|1,0,1]=4 5659 B10R0.4 C[C@@H](N)CCOCCCCF 34a_100000706166_100000729493 [1,1,0,0,0,0|1,0,1]=4 5660 B10R0.4 C[C@@H](N)CCOCCCCO 34a_100000706166_100011216708 [1,1,0,0,0,0|1,0,1]=4 5661 B10R0.22 CC(C)(C)CCOCCCBr 34a_100011217188_100000755188 [1,1,0,0,0,0|1,0,1]=4 5662 B10R0.22 CC(C)(C)CCOCCCCl 34a_100000230001_100000755188 [1,1,0,0,0,0|1,0,1]=4 5663 B10R0.22 CC(C)(C)CCOCCCF 34a_100000759539_100000755188 [1,1,0,0,0,0|1,0,1]=4 5664 B10R0.22 CC(C)(C)CCOCCCF 7a_100000765024_100011934791 [1,1,0,0,0,0|1,0,1]=4 5665 B10R0.22 CC(C)(C)CCOCCCN 34a_100000182051_100000755188 [1,1,0,0,0,0|1,0,1]=4 5666 B10R0.22 CC(C)(C)CCOCCCO 7a_100000765024_100011215043 [1,1,0,0,0,0|1,0,1]=4 5667 B10R0.22 CC(C)(O)CCOCCCBr 34a_100011217188_100000702414 [1,1,0,0,0,0|1,0,1]=4 5668 B10R0.22 CC(C)(O)CCOCCCCl 34a_100000230001_100000702414 [1,1,0,0,0,0|1,0,1]=4 5669 B10R0.22 CC(C)(O)CCOCCCF 34a_100000759539_100000702414 [1,1,0,0,0,0|1,0,1]=4 5670 B10R0.22 CC(C)(O)CCOCCCN 34a_100000182051_100000702414 [1,1,0,0,0,0|1,0,1]=4 5671 B10R0.22 CCCCCNCC(C)(C)C 2230a_100000743828_100000210326 [1,1,0,0,0,0|2,0,0]=4 5672 B10R0.22 CCCCCNCC(C)(C)C 270004a_100000209983_100011204126 [1,1,0,0,0,0|2,0,0]=4 5673 B10R0.22 CCCCCNCC(C)(C)F 2230a_100020643315_100000210326 [1,1,0,0,0,0|2,0,0]=4 5674 B10R0.22 CCCCCNCC(C)(C)O 2230a_100000751335_100000210326 [1,1,0,0,0,0|2,0,0]=4 5675 B10R0.22 CCCCCOCC(C)(C)C 34a_100000210253_100011219605 [1,1,0,0,0,0|2,0,0]=4 5676 B10R0.22 CCCCCOCC(C)(C)F 34a_100000210253_100011997219 [1,1,0,0,0,0|2,0,0]=4 5677 B10R0.22 CCCCCOCC(C)(C)F 34a_100000716592_100000718602 [1,1,0,0,0,0|2,0,0]=4 5678 B10R0.22 CCCCCOCC(C)(C)O 34a_100000210253_100000764493 [1,1,0,0,0,0|2,0,0]=4 5679 B10R0.22 CCCCCOCC(C)(C)O 7a_100000210253_100000764493 [1,1,0,0,0,0|2,0,0]=4 5680 B10R0.22 CCCCCSCC(C)(C)C 62a_100000210326_100011219605 [1,1,0,0,0,0|2,0,0]=4 5681 B10R0.22 CCCCCSCC(C)(C)C 62a_100011219605_100000210326 [1,1,0,0,0,0|2,0,0]=4 5682 B10R0.22 CCCCCSCC(C)(C)F 62a_100000210326_100011997219 [1,1,0,0,0,0|2,0,0]=4 5683 B10R0.22 CCCCCSCC(C)(C)F 62a_100011997219_100000210326 [1,1,0,0,0,0|2,0,0]=4 5684 B10R0.22 CCCCCSCC(C)(C)O 62a_100000210326_100000764493 [1,1,0,0,0,0|2,0,0]=4 5685 B10R0.22 CCCCCSCC(C)(C)O 62a_100000764493_100000210326 [1,1,0,0,0,0|2,0,0]=4 5686 B10R0.22 CCCCNCCC(C)(C)C 2230a_100000102301_100000755188 [1,1,0,0,0,0|1,0,1]=4 5687 B10R0.22 CCCCNCCC(C)(C)C 2230a_100000738805_100000210211 [1,1,0,0,0,0|1,0,1]=4 5688 B10R0.22 CCCCNCCC(C)(C)C 7a_106832991798_100000755188 [1,1,0,0,0,0|1,0,1]=4 5689 B10R0.22 CCCCNCCC(C)(C)F 2230a_100016253952_100000210211 [1,1,0,0,0,0|1,0,1]=4 5690 B10R0.22 CCCCNCCC(C)(C)O 2230a_100000102301_100000702414 [1,1,0,0,0,0|1,0,1]=4 5691 B10R0.22 CCCCNCCC(C)(C)O 7a_106832991798_100000702414 [1,1,0,0,0,0|1,0,1]=4 5692 B10R0.22 CCCCOCCC(C)(C)C 34a_100000210227_100000755188 [1,1,0,0,0,0|0,0,1]=3 5693 B10R0.22 CCCCOCCC(C)(C)C 7a_100000210227_100000755188 [1,1,0,0,0,0|0,0,1]=3 5694 B10R0.22 CCCCOCCC(C)(C)C 7a_100000765024_100000210211 [1,1,0,0,0,0|0,0,1]=3 5695 B10R0.22 CCCCOCCC(C)(C)O 34a_100000210227_100000702414 [1,1,0,0,0,0|0,0,1]=3 5696 B10R0.22 CCCCOCCC(C)(C)O 7a_100000210227_100000702414 [1,1,0,0,0,0|0,0,1]=3 5697 B10R0.22 CCCCOCC[N+](C)(C)C 34a_100000210227_100000085578 [1,1,0,0,0,0|1,0,1]=4 5698 B10R0.22 CCCCOCC[N+](C)(C)C 7a_100000210227_100000085578 [1,1,0,0,0,0|1,0,1]=4 5699 B10R0.22 CCCCOCC[N+](C)(C)C 7a_200020618287_100000210211 [1,1,0,0,0,0|1,0,1]=4 5700 B10R0.22 CCCCOCC[Si](C)(C)C 34a_100000210227_200000733723 [1,1,0,0,0,0|0,1,1]=4 5701 B10R0.22 CCCCOCC[Si](C)(C)C 7a_100000039746_100000210211 [1,1,0,0,0,0|0,1,1]=4 5702 B10R0.22 CCCCOCC[Si](C)(C)C 7a_100000210227_200000733723 [1,1,0,0,0,0|0,1,1]=4 5703 B10R0.22 CCCCOCNC(C)(C)C 2230a_100000715429_100011995733 [1,1,0,0,0,0|1,0,1]=4 5704 B10R0.22 CCCCOCOC(C)(C)C 34a_100015890283_100011995733 [1,1,0,0,0,0|1,0,1]=4 5705 B10R0.22 CCCCOCSC(C)(C)C 62a_100000211941_100011995733 [1,1,0,0,0,0|1,0,1]=4 5706 B10R0.22 CCCCOCSC(C)(C)C 62a_100011995733_100000211941 [1,1,0,0,0,0|1,0,1]=4 5707 B10R0.22 CCCCSCCC(C)(C)C 62a_100000210211_100000755188 [1,1,0,0,0,0|0,1,1]=4 5708 B10R0.22 CCCCSCCC(C)(C)C 62a_100000755188_100000210210 [1,1,0,0,0,0|0,1,1]=4 5709 B10R0.22 CCCCSCCC(C)(C)O 62a_100000210211_100000702414 [1,1,0,0,0,0|0,1,1]=4 5710 B10R0.22 CCCCSCCC(C)(C)O 62a_100000702414_100000210210 [1,1,0,0,0,0|0,1,1]=4 5711 B10R0.22 CCCNN=CCC(C)(C)C 4a_100000740057_100000750564 [1,1,0,0,0,0|2,0,0]=4 5712 B10R0.22 COCCOCCC(C)(C)C 34a_100000210237_100000755188 [1,1,0,0,0,0|1,0,1]=4 5713 B10R0.22 COCCOCCC(C)(C)C 7a_100000765024_100000233755 [1,1,0,0,0,0|1,0,1]=4 5714 B10R0.22 COCCOCCC(C)(C)O 34a_100000210237_100000702414 [1,1,0,0,0,0|1,0,1]=4 5715 B10R0.22 CSCCOCCC(C)(C)C 34a_100000230434_100000755188 [1,1,0,0,0,0|1,0,1]=4 5716 B10R0.22 CSCCOCCC(C)(C)C 7a_100000230434_100000755188 [1,1,0,0,0,0|1,0,1]=4 5717 B10R0.22 CSCCOCCC(C)(C)C 7a_100000765024_100000212216 [1,1,0,0,0,0|1,0,1]=4 5718 B10R0.22 CSCCOCCC(C)(C)O 34a_100000230434_100000702414 [1,1,0,0,0,0|1,0,1]=4 5719 B10R0.22 CSCCOCCC(C)(C)O 7a_100000230434_100000702414 [1,1,0,0,0,0|1,0,1]=4 5720 B10R0.55 CC(C)CCOCC(C)CN 34a_100000744482_100000210312 [1,1,0,0,0,0|1,0,1]=4 5721 B10R0.55 CC(C)CCOCC(Cl)CCl 34a_100000033668_100000210312 [1,1,0,0,0,0|1,0,1]=4 5722 B10R0.55 CC(C)CCOCC(O)CO 34a_100000210254_100011219619 [1,1,0,0,0,0|1,0,1]=4 5723 B10R0.55 CC(C)CCOCC(O)CO 7a_100000210254_100011219619 [1,1,0,0,0,0|1,0,1]=4 5724 B10R0.55 CC(C)CCOC[C@@H](C)CO 34a_100000210254_100000059175 [1,1,0,0,0,0|1,0,1]=4 5725 B10R0.55 CC(C)CCOC[C@@H](C)CO 7a_100000210254_100000059175 [1,1,0,0,0,0|1,0,1]=4 5726 B10R0.55 CC(C)CCOC[C@@H](O)CF 34a_100000210254_100015614560 [1,1,0,0,0,0|1,0,1]=4 5727 B10R0.55 CC(C)CCOC[C@@H](O)CF 7a_100000210254_100015614560 [1,1,0,0,0,0|1,0,1]=4 5728 B10R0.55 CC(C)CCOC[C@@H](O)CO 34a_100000210254_100009815848 [1,1,0,0,0,0|1,0,1]=4 5729 B10R0.55 CC(C)CCOC[C@@H](O)CO 7a_100000210254_100009815848 [1,1,0,0,0,0|1,0,1]=4 5730 B10R0.55 CC(C)CCOC[C@H](F)CN 34a_100015665980_100000210312 [1,1,0,0,0,0|1,0,1]=4 5731 B10R0.55 CCC(=O)COCCC(C)C 34a_100000725409_100000210312 [1,1,0,0,0,0|0,0,2]=4 5732 B10R0.55 CCC(=O)COCCC(C)C 7a_100000210254_100000747405 [1,1,0,0,0,0|0,0,2]=4 5733 B10R0.55 CCC(C)CCNCC(C)C 2230a_100020591266_100000210760 [1,1,0,0,0,0|2,0,0]=4 5734 B10R0.55 CCC(C)CCNCC(C)C 270004a_100020591266_100000210432 [1,1,0,0,0,0|2,0,0]=4 5735 B10R0.55 CCC(C)CCOCC(C)C 7a_100011215188_100000210760 [1,1,0,0,0,0|2,0,0]=4 5736 B10R0.55 CCC(C)CNCCC(C)C 2230a_100020588543_100000210312 [1,1,0,0,0,0|1,0,1]=4 5737 B10R0.55 CCC(C)CNCCC(C)C 269862a_100020588543_100000185833 [1,1,0,0,0,0|1,0,1]=4 5738 B10R0.55 CCC(C)CNCCC(C)C 270004a_100000210545_100000243153 [1,1,0,0,0,0|1,0,1]=4 5739 B10R0.55 CCC(C)COCCC(C)Br 34a_100009893172_100000748023 [1,1,0,0,0,0|1,0,1]=4 5740 B10R0.55 CCC(C)COCCC(C)C 34a_100000210254_100000748023 [1,1,0,0,0,0|0,0,1]=3 5741 B10R0.55 CCC(C)COCCC(C)C 7a_100000210254_100000748023 [1,1,0,0,0,0|0,0,1]=3 5742 B10R0.55 CCC(C)COCC[C@@H](C)N 34a_100000706166_100000748023 [1,1,0,0,0,0|1,0,1]=4 5743 B10R0.55 CCC(C)CSCCC(C)C 62a_100000210312_100000748023 [1,1,0,0,0,0|0,1,1]=4 5744 B10R0.55 CCC(C)CSCCC(C)C 62a_100000748023_100000210312 [1,1,0,0,0,0|0,1,1]=4 5745 B10R0.55 CCC(C)NN=CCC(C)C 4a_100000718999_100000185833 [1,1,0,0,0,0|2,0,0]=4 5746 B10R0.55 CCC(O)CNCCC(C)C 2230a_100011218483_100000210312 [1,1,0,0,0,0|1,0,1]=4 5747 B10R0.55 CCC(O)CNCCC(C)C 269862a_100011218483_100000185833 [1,1,0,0,0,0|1,0,1]=4 5748 B10R0.55 CCC(O)COCCC(C)Br 34a_100009893172_100011218378 [1,1,0,0,0,0|1,0,1]=4 5749 B10R0.55 CCC(O)COCCC(C)C 34a_100000210254_100011218378 [1,1,0,0,0,0|0,0,1]=3 5750 B10R0.55 CCC(O)COCCC(C)C 7a_100000210254_100011218378 [1,1,0,0,0,0|0,0,1]=3 5751 B10R0.55 CCC(O)COCC[C@@H](C)N 34a_100000706166_100011218378 [1,1,0,0,0,0|1,0,1]=4 5752 B10R0.55 CCC(O)CSCCC(C)C 62a_100000210312_100011218378 [1,1,0,0,0,0|0,1,1]=4 5753 B10R0.55 CCC(O)CSCCC(C)C 62a_100011218378_100000210312 [1,1,0,0,0,0|0,1,1]=4 5754 B10R0.55 CC[C@H](C)COCCC(C)Br 34a_100009893172_100009816398 [1,1,0,0,0,0|1,0,1]=4 5755 B10R0.55 CC[C@H](C)COCCC(C)C 34a_100000210254_100009816398 [1,1,0,0,0,0|0,0,1]=3 5756 B10R0.55 CC[C@H](C)COCCC(C)C 7a_100000210254_100009816398 [1,1,0,0,0,0|0,0,1]=3 5757 B10R0.55 CC[C@H](C)COCCC(C)C 7a_100009816381_100000210626 [1,1,0,0,0,0|0,0,1]=3 5758 B10R0.55 CC[C@H](C)COCCC(C)O 7a_100009816381_100012276601 [1,1,0,0,0,0|1,0,1]=4 5759 B10R0.55 CC[C@H](C)COCCN(C)C 7a_100009816381_100000755713 [1,1,0,0,0,0|1,0,1]=4 5760 B10R0.55 CC[C@H](C)COCC[C@@H](C)N 34a_100000706166_100009816398 [1,1,0,0,0,0|1,0,1]=4 5761 B10R0.55 CC[C@H](C)CSCCC(C)C 62a_100000210312_100009816398 [1,1,0,0,0,0|0,1,1]=4 5762 B10R0.55 CC[C@H](C)CSCCC(C)C 62a_100009816398_100000210312 [1,1,0,0,0,0|0,1,1]=4 5763 B10R0.55 COC(C)COCCC(C)C 34a_100000690652_100000210312 [1,1,0,0,0,0|1,0,1]=4 5764 B10R0.74 CCC(C)CCOCCCF 7a_100011215188_100011934791 [1,1,0,0,0,0|1,0,1]=4 5765 B10R0.74 CCC(C)CCOCCCO 7a_100011215188_100011215043 [1,1,0,0,0,0|1,0,1]=4 5766 B10R0.74 CCC(C)CCOCCOC 7a_100011215188_100000233755 [1,1,0,0,0,0|1,0,1]=4 5767 B10R0.74 CCC(C)CCOCCSC 7a_100011215188_100000212216 [1,1,0,0,0,0|1,0,1]=4 5768 B10R0.74 CCCCCCCC(C)NC 2230a_106832991635_200011218727 [1,1,0,0,0,0|1,0,1]=4 5769 B10R0.74 CCCCCCCC(C)NC 270004a_106832991635_100000210596 [1,1,0,0,0,0|1,0,1]=4 5770 B10R0.74 CCCCCCCC(C)NC 34a_100102657272_200011218727 [1,1,0,0,0,0|1,0,1]=4 5771 B10R0.74 CCCCCCCC(C)NC 7a_106832991635_200011218727 [1,1,0,0,0,0|1,0,1]=4 5772 B10R0.74 CCCCCCCC(C)OC 34a_100138415774_200011218727 [1,1,0,0,0,0|1,0,1]=4 5773 B10R0.74 CCCCCCCC(C)OC 34a_200011215852_200000210301 [1,1,0,0,0,0|1,0,1]=4 5774 B10R0.74 CCCCCCCC(C)OC 7a_200011215852_200000210301 [1,1,0,0,0,0|1,0,1]=4 5775 B10R0.74 CCCCCCCC(C)O[13CH3] 34a_200011215852_200025704644 [1,1,0,0,0,0|1,0,1]=4 5776 B10R0.74 CCCCCCCC(C)O[13CH3] 7a_200011215852_200025704644 [1,1,0,0,0,0|1,0,1]=4 5777 B10R0.74 CCCCCCCC(C)SC 62a_200000210301_200011218727 [1,1,0,0,0,0|1,0,1]=4 5778 B10R0.74 CCCCCCCC(C)SC 62a_200011218727_200000210301 [1,1,0,0,0,0|1,0,1]=4 5779 B10R0.74 CCCCCCCC(C)S[13CH3] 62a_200011218727_200025704644 [1,1,0,0,0,0|1,0,1]=4 5780 B10R0.74 CCCCCCCC(C)S[13CH3] 62a_200025704644_200011218727 [1,1,0,0,0,0|1,0,1]=4 5781 B10R0.74 CCCCCNCC(C)CC 2230a_100000209983_100000748023 [1,1,0,0,0,0|2,0,0]=4 5782 B10R0.74 CCCCCNCC(C)CC 2230a_100020588543_100000210326 [1,1,0,0,0,0|2,0,0]=4 5783 B10R0.74 CCCCCNCC(C)CC 270004a_100000209983_100000243153 [1,1,0,0,0,0|2,0,0]=4 5784 B10R0.74 CCCCCNCC(C)CO 34a_100000744482_100000718602 [1,1,0,0,0,0|2,0,0]=4 5785 B10R0.74 CCCCCNC[C@@H](C)CC 2230a_100000209983_100009816398 [1,1,0,0,0,0|2,0,0]=4 5786 B10R0.74 CCCCCNC[C@@H](C)CO 2230a_100000209983_100000059175 [1,1,0,0,0,0|2,0,0]=4 5787 B10R0.74 CCCCCNC[C@@H](C)OC 2230a_100020591295_100000210326 [1,1,0,0,0,0|2,0,0]=4 5788 B10R0.74 CCCCCOCC(C)CC 34a_100000210253_100000748023 [1,1,0,0,0,0|2,0,0]=4 5789 B10R0.74 CCCCCOCC(C)CC 7a_100000210253_100000748023 [1,1,0,0,0,0|2,0,0]=4 5790 B10R0.74 CCCCCOCC(C)CN 34a_100000744482_100000718602 [1,1,0,0,0,0|2,0,0]=4 5791 B10R0.74 CCCCCOCC(C)OC 34a_100000690652_100000718602 [1,1,0,0,0,0|2,0,0]=4 5792 B10R0.74 CCCCCOC[C@@H](C)CC 34a_100000210253_100009816398 [1,1,0,0,0,0|2,0,0]=4 5793 B10R0.74 CCCCCOC[C@@H](C)CC 7a_100000210253_100009816398 [1,1,0,0,0,0|2,0,0]=4 5794 B10R0.74 CCCCCOC[C@@H](C)CC 7a_100009816381_100000210326 [1,1,0,0,0,0|2,0,0]=4 5795 B10R0.74 CCCCCOC[C@@H](C)CO 34a_100000210253_100000059175 [1,1,0,0,0,0|2,0,0]=4 5796 B10R0.74 CCCCCOC[C@@H](C)CO 7a_100000210253_100000059175 [1,1,0,0,0,0|2,0,0]=4 5797 B10R0.74 CCCCCSCC(C)CC 62a_100000210326_100000748023 [1,1,0,0,0,0|2,0,0]=4 5798 B10R0.74 CCCCCSCC(C)CC 62a_100000748023_100000210326 [1,1,0,0,0,0|2,0,0]=4 5799 B10R0.74 CCCCCSC[C@@H](C)CC 62a_100000210326_100009816398 [1,1,0,0,0,0|2,0,0]=4 5800 B10R0.74 CCCCCSC[C@@H](C)CC 62a_100009816398_100000210326 [1,1,0,0,0,0|2,0,0]=4 5801 B10R0.74 CCCCCSC[C@@H](C)CO 62a_100000059175_100000210326 [1,1,0,0,0,0|2,0,0]=4 5802 B10R0.74 CCCCCSC[C@@H](C)CO 62a_100000210326_100000059175 [1,1,0,0,0,0|2,0,0]=4 5803 B10R0.74 CCCCNCCC(C)CC 2230a_100020591266_100000210211 [1,1,0,0,0,0|1,0,1]=4 5804 B10R0.74 CCCCNCCC(C)CO 2230a_106354213184_100000210211 [1,1,0,0,0,0|1,0,1]=4 5805 B10R0.74 CCCCNCCC(C)CO 34a_106354213184_100000210210 [1,1,0,0,0,0|1,0,1]=4 5806 B10R0.74 CCCCOCCC(C)CC 7a_100011215188_100000210211 [1,1,0,0,0,0|0,0,1]=3 5807 B10R0.74 CCCCOCCC(C)OC 7a_100000764861_100000210211 [1,1,0,0,0,0|0,0,1]=3 5808 B10R0.74 CCCCOCCN(C)CC 2230a_100000225621_100000743108 [1,1,0,0,0,0|1,0,1]=4 5809 B10R0.74 CCCCOCCN(C)CC 269982a_100000225621_100000743108 [1,1,0,0,0,0|1,0,1]=4 5810 B10R0.74 CCCCOCNC(C)CC 2230a_100000209981_100011995733 [1,1,0,0,0,0|1,0,1]=4 5811 B10R0.74 CCCCOCN[C@H](C)CO 2230a_100000737577_100011995733 [1,1,0,0,0,0|1,0,1]=4 5812 B10R0.74 CCCCOCOC(C)CF 34a_100016041109_100011995733 [1,1,0,0,0,0|1,0,1]=4 5813 B10R0.74 CCCCOCOC(C)CN 34a_100000210904_100011995733 [1,1,0,0,0,0|1,0,1]=4 5814 B10R0.74 CCCCOCSC(C)CC 62a_100000758301_100011995733 [1,1,0,0,0,0|1,0,1]=4 5815 B10R0.74 CCCCOCSC(C)CC 62a_100011995733_100000758301 [1,1,0,0,0,0|1,0,1]=4 5816 B10R0.74 CCCCOCSC(C)CO 62a_100012180447_100011995733 [1,1,0,0,0,0|1,0,1]=4 5817 B10R0.74 CCCCOCSC(C)OC 62a_100009879195_100011995733 [1,1,0,0,0,0|1,0,1]=4 5818 B10R0.74 CCCCOCSC(C)OC 62a_100011995733_100009879195 [1,1,0,0,0,0|1,0,1]=4 5819 B10R0.74 CCCCOCS[C@H](C)CO 62a_100011995733_100016084084 [1,1,0,0,0,0|1,0,1]=4 5820 B10R0.74 CCCCOCS[C@H](C)CO 62a_100016084084_100011995733 [1,1,0,0,0,0|1,0,1]=4 5821 B10R0.74 CCCNN=CCC(C)SC 4a_100000740057_100000036020 [1,1,0,0,0,0|2,0,0]=4 5822 B10R0.74 COC(C)CCOCCCF 7a_100000764861_100011934791 [1,1,0,0,0,0|1,0,1]=4 5823 B10R0.74 COC(C)CCOCCCO 7a_100000764861_100011215043 [1,1,0,0,0,0|1,0,1]=4 5824 B10R0.74 COC(C)CCOCCSC 7a_100000764861_100000212216 [1,1,0,0,0,0|1,0,1]=4 5825 B10R0.74 COCCOCCC(C)OC 7a_100000764861_100000233755 [1,1,0,0,0,0|1,0,1]=4 5826 B10R0.75 CC(C)[C@@H](N)COCCCF 34a_100011830312_100011934791 [1,1,0,0,0,0|1,0,1]=4 5827 B10R0.75 CC(C)[C@@H](N)COCCCO 34a_100011830312_100000230001 [1,1,0,0,0,0|1,0,1]=4 5828 B10R0.75 CCCCC=CC(=O)C(C)C 1458a_100016266645_100000210206 [1,1,0,0,0,0|1,0,1]=4 5829 B10R0.75 CCCCCNC(C)C(C)C 2230a_100000211541_100000210326 [1,1,0,0,0,0|2,0,0]=4 5830 B10R0.75 CCCCCOC(C)C(C)C 7a_100000748068_100000210326 [1,1,0,0,0,0|2,0,0]=4 5831 B10R0.75 CCCCNCC(O)C(C)C 2230a_100000759067_100000210211 [1,1,0,0,0,0|1,0,1]=4 5832 B10R0.75 CCCCNCC(O)C(C)C 34a_100000759067_100000210210 [1,1,0,0,0,0|1,0,1]=4 5833 B10R0.75 CCCCOCC(=O)C(C)C 1458a_100000210198_100011995733 [1,1,0,0,0,0|0,0,2]=4 5834 B10R0.75 CCCCOCC(=O)C(C)C 1458a_100000757543_100000210206 [1,1,0,0,0,0|0,0,2]=4 5835 B10R0.75 CCCCOCC(=O)C(C)C 34a_100000210227_100000753385 [1,1,0,0,0,0|0,0,2]=4 5836 B10R0.75 CCCCOCC(=O)C(C)C 7a_100000210227_100000753385 [1,1,0,0,0,0|0,0,2]=4 5837 B10R0.75 CCCCOCN(C)C(C)C 269982a_200000211004_100011995733 [1,1,0,0,0,0|1,0,1]=4 5838 B10R0.75 CCCCOC[C@H](N)C(C)C 34a_100011830312_100000210210 [1,1,0,0,0,0|0,0,1]=3 5839 B10R0.75 COCCOC[C@H](N)C(C)C 34a_100011830312_100011201679 [1,1,0,0,0,0|1,0,1]=4 5840 B10R0.75 CSCCOC[C@H](N)C(C)C 34a_100011830312_100000212216 [1,1,0,0,0,0|1,0,1]=4 5841 B10R0.78 CCCCC(=O)C=CC(C)C 1458a_100016268746_100000210211 [1,1,0,0,0,0|1,0,1]=4 5842 B10R0.78 CCCCC(=O)CCC(C)C 1458a_100000181311_100000210211 [1,1,0,0,0,0|1,0,1]=4 5843 B10R0.78 CCCCC(=O)CCC(C)C 1458a_100000210183_100000210312 [1,1,0,0,0,0|1,0,1]=4 5844 B10R0.78 CCCCC(=O)NCC(C)C 11a_100000210953_100000210183 [1,1,0,0,0,0|2,0,0]=4 5845 B10R0.78 CCCCC(=O)NCC(C)C 1626a_100000210953_100000210183 [1,1,0,0,0,0|2,0,0]=4 5846 B10R0.78 CCCCC(=O)NCC(C)C 240690a_100000210953_100000210183 [1,1,0,0,0,0|2,0,0]=4 5847 B10R0.78 CCCCC(=O)NCC(C)C 527a_100000210953_100000210183 [1,1,0,0,0,0|2,0,0]=4 5848 B10R0.78 CCCCC(C)NCC(C)C 2230a_100000126638_100000210760 [1,1,0,0,0,0|2,0,0]=4 5849 B10R0.78 CCCCC(C)NCC(C)C 2230a_100000210953_200011215066 [1,1,0,0,0,0|2,0,0]=4 5850 B10R0.78 CCCCC(C)NCC(C)C 270004a_100000126638_100000210432 [1,1,0,0,0,0|2,0,0]=4 5851 B10R0.78 CCCCC(C)NCC(C)C 270004a_100000210953_100000210087 [1,1,0,0,0,0|2,0,0]=4 5852 B10R0.78 CCCCC(C)NCC(C)C 34a_100000210953_200011215066 [1,1,0,0,0,0|2,0,0]=4 5853 B10R0.78 CCCCC(C)OCC(C)C 34a_100000210257_200011215066 [1,1,0,0,0,0|2,0,0]=4 5854 B10R0.78 CCCCC(C)OCC(C)C 34a_100000687866_100000210624 [1,1,0,0,0,0|2,0,0]=4 5855 B10R0.78 CCCCC(C)OCC(C)C 7a_100000687866_100000210760 [1,1,0,0,0,0|2,0,0]=4 5856 B10R0.78 CCCCC(C)SCC(C)C 62a_100000210624_200011215066 [1,1,0,0,0,0|2,0,0]=4 5857 B10R0.78 CCCCC(C)SCC(C)C 62a_200011215066_100000210760 [1,1,0,0,0,0|2,0,0]=4 5858 B10R0.78 CCCCN(C)CCC(C)C 2230a_100000207549_100000210312 [1,1,0,0,0,0|1,0,1]=4 5859 B10R0.78 CCCCN(C)CCC(C)C 2230a_100000742789_100000210211 [1,1,0,0,0,0|1,0,1]=4 5860 B10R0.78 CCCCN(C)CCC(C)C 269982a_100000207549_100000210312 [1,1,0,0,0,0|1,0,1]=4 5861 B10R0.78 CCCCN(C)CCC(C)C 269982a_100000742789_100000210211 [1,1,0,0,0,0|1,0,1]=4 5862 B10R0.97 C=C(C)CCOCCC(C)C 34a_100000210254_100000730704 [1,1,0,0,0,0|0,0,2]=4 5863 B10R0.97 C=C(C)CCOCCC(C)C 34a_100000764851_100000210312 [1,1,0,0,0,0|0,0,2]=4 5864 B10R0.97 C=C(C)CCOCCC(C)C 7a_100000210254_100000730704 [1,1,0,0,0,0|0,0,2]=4 5865 B10R0.97 CC(=O)CCOCCC(C)C 34a_100000759926_100000210312 [1,1,0,0,0,0|0,0,2]=4 5866 B10R0.97 CC(=O)CCOCCC(C)C 7a_100000210254_100000053229 [1,1,0,0,0,0|0,0,2]=4 5867 B10R0.97 CC(=O)CCOCCC(C)C 7a_100000759926_100000210626 [1,1,0,0,0,0|0,0,2]=4 5868 B10R0.97 CC(Br)CCOCOC(C)C 34a_100009893172_100000709892 [1,1,0,0,0,0|1,0,1]=4 5869 B10R0.97 CC(C)CC=NNCC(C)O 4a_200000730056_100000185833 [1,1,0,0,0,0|2,0,0]=4 5870 B10R0.97 CC(C)CCCNCC(C)C 2230a_100000210953_100011214892 [1,1,0,0,0,0|2,0,0]=4 5871 B10R0.97 CC(C)CCCNCC(C)C 2230a_200000737386_100000210760 [1,1,0,0,0,0|2,0,0]=4 5872 B10R0.97 CC(C)CCCNCC(C)C 270004a_200000737386_100000210432 [1,1,0,0,0,0|2,0,0]=4 5873 B10R0.97 CC(C)CCCNCC(C)C 34a_100000210953_100011214892 [1,1,0,0,0,0|2,0,0]=4 5874 B10R0.97 CC(C)CCCNCC(C)C 34a_200000737386_100000210624 [1,1,0,0,0,0|2,0,0]=4 5875 B10R0.97 CC(C)CCCOCC(C)C 34a_100000210257_100011214892 [1,1,0,0,0,0|2,0,0]=4 5876 B10R0.97 CC(C)CCCOCC(C)C 34a_100000210774_100000210624 [1,1,0,0,0,0|2,0,0]=4 5877 B10R0.97 CC(C)CCCOCC(C)C 7a_100000210774_100000210760 [1,1,0,0,0,0|2,0,0]=4 5878 B10R0.97 CC(C)CCCSCC(C)C 62a_100000210624_100011214892 [1,1,0,0,0,0|2,0,0]=4 5879 B10R0.97 CC(C)CCCSCC(C)C 62a_100011214892_100000210760 [1,1,0,0,0,0|2,0,0]=4 5880 B10R0.97 CC(C)CCNCCC(C)C 269862a_100000210545_100000185833 [1,1,0,0,0,0|1,0,1]=4 5881 B10R0.97 CC(C)CCNCCC(C)O 2230a_200000755665_100000210312 [1,1,0,0,0,0|1,0,1]=4 5882 B10R0.97 CC(C)CCNCCC(C)O 269862a_200000755665_100000185833 [1,1,0,0,0,0|1,0,1]=4 5883 B10R0.97 CC(C)CCOCCC(C)Br 34a_100009893172_100000210312 [1,1,0,0,0,0|0,0,1]=3 5884 B10R0.97 CC(C)CCOCCC(C)C 34a_100000210254_100000210312 [1,1,0,0,0,0|0,0,1]=3 5885 B10R0.97 CC(C)CCOCCC(C)C 7a_100000210254_100000210626 [1,1,0,0,0,0|0,0,1]=3 5886 B10R0.97 CC(C)CCOCCC(C)O 34a_100000210254_100012276601 [1,1,0,0,0,0|0,0,1]=3 5887 B10R0.97 CC(C)CCOCCC(C)O 7a_100000210254_100012276601 [1,1,0,0,0,0|0,0,1]=3 5888 B10R0.97 CC(C)CCOCCC(F)F 34a_100103093639_100000210312 [1,1,0,0,0,0|1,0,1]=4 5889 B10R0.97 CC(C)CCOCCN(C)C 7a_100000210254_100000755713 [1,1,0,0,0,0|1,0,1]=4 5890 B10R0.97 CC(C)CCOCC[C@@H](C)N 34a_100000706166_100000210312 [1,1,0,0,0,0|0,0,1]=3 5891 B10R0.97 CC(C)CCOCOC(C)C 34a_100000210254_100000709892 [1,1,0,0,0,0|1,0,1]=4 5892 B10R0.97 CC(C)CCSCCC(C)C 62a_100000210312_100000210312 [1,1,0,0,0,0|0,1,1]=4 5893 B10R0.97 CC(C)CCSCCC(C)O 62a_100000210312_100012276601 [1,1,0,0,0,0|0,1,1]=4 5894 B10R0.97 CC(C)CCSCCC(C)O 62a_100012276601_100000210312 [1,1,0,0,0,0|0,1,1]=4 5895 B10R0.97 CC(C)CNCCCC(C)O 2230a_100000210953_200000718107 [1,1,0,0,0,0|2,0,0]=4 5896 B10R0.97 CC(C)CNCCCC(C)O 34a_100000210953_200000718107 [1,1,0,0,0,0|2,0,0]=4 5897 B10R0.97 CC(C)COCCCC(C)O 34a_100000210257_200000718107 [1,1,0,0,0,0|2,0,0]=4 5898 B10R0.97 CC(C)CSCCCC(C)O 62a_100000210624_200000718107 [1,1,0,0,0,0|2,0,0]=4 5899 B10R0.97 CC(C)CSCCCC(C)O 62a_200000718107_100000210760 [1,1,0,0,0,0|2,0,0]=4 5900 B10R0.97 CC(C)OCOCC[C@@H](C)N 34a_100000706166_100000709892 [1,1,0,0,0,0|1,0,1]=4 5901 B10R0.97 CC(O)CCOCCC(C)Br 34a_100009893172_100012276601 [1,1,0,0,0,0|1,0,1]=4 5902 B10R0.97 CC(O)CCOCC[C@@H](C)N 34a_100000706166_100012276601 [1,1,0,0,0,0|1,0,1]=4 5903 B10R0.18 C#CC(C)NC(=O)CCCC 11a_100000707721_100000210183 [1,1,0,0,0,0|1,0,1]=4 5904 B10R0.18 C#CC(C)NC(=O)CCCC 1626a_100000707721_100000210183 [1,1,0,0,0,0|1,0,1]=4 5905 B10R0.18 C#CC(C)NC(=O)CCCC 240690a_100000707721_100000210183 [1,1,0,0,0,0|1,0,1]=4 5906 B10R0.18 C#CC(C)NC(=O)CCCC 527a_100000707721_100000210183 [1,1,0,0,0,0|1,0,1]=4 5907 B10R0.18 C#CCCC(=O)CC(C)CC 1458a_100000692101_100000748023 [1,1,0,0,0,0|0,0,2]=4 5908 B10R0.18 C#CCCC(=O)CC(C)CC 1458a_100000708755_100000753159 [1,1,0,0,0,0|0,0,2]=4 5909 B10R0.18 C#CCCC(=O)C[C@@H](C)CC 1458a_100000692101_100009816398 [1,1,0,0,0,0|0,0,2]=4 5910 B10R0.18 C#CCCC(=O)C[C@@H](C)CO 1458a_100000692101_100000059175 [1,1,0,0,0,0|0,0,2]=4 5911 B10R0.18 C/C=C/CC(=O)CC(C)CC 1458a_100000708755_100102629194 [1,1,0,0,0,0|0,0,2]=4 5912 B10R0.18 C=CC(C)CC(=O)CCCC 1458a_100011934298_100000210211 [1,1,0,0,0,0|0,0,1]=3 5913 B10R0.18 C=CC(C)CC(=O)CCCF 1458a_100011934298_100011934791 [1,1,0,0,0,0|1,0,1]=4 5914 B10R0.18 C=CC(C)CC(=O)CCCO 1458a_100011934298_100011215043 [1,1,0,0,0,0|1,0,1]=4 5915 B10R0.18 C=CC(C)CC(=O)CCOC 1458a_100011934298_100000233755 [1,1,0,0,0,0|1,0,1]=4 5916 B10R0.18 C=CC(C)CC(=O)CCSC 1458a_100011934298_100000751147 [1,1,0,0,0,0|1,0,1]=4 5917 B10R0.18 C=CC(C)CC(=O)NCCC 11a_100020643023_100011934298 [1,1,0,0,0,0|1,0,1]=4 5918 B10R0.18 C=CC(C)CC(=O)NCCC 1626a_100020643023_100011934298 [1,1,0,0,0,0|1,0,1]=4 5919 B10R0.18 C=CC(C)CC(=O)NCCC 240690a_100020643023_100011934298 [1,1,0,0,0,0|1,0,1]=4 5920 B10R0.18 C=CC(C)CC(=O)NCCC 527a_100020643023_100011934298 [1,1,0,0,0,0|1,0,1]=4 5921 B10R0.18 C=CCCC(=O)CC(C)CC 1458a_100000708755_100000754431 [1,1,0,0,0,0|0,0,2]=4 5922 B10R0.18 C=CCCC(=O)CC(C)CC 1458a_100000749702_100000748023 [1,1,0,0,0,0|0,0,2]=4 5923 B10R0.18 C=CCCC(=O)C[C@@H](C)CC 1458a_100000749702_100009816398 [1,1,0,0,0,0|0,0,2]=4 5924 B10R0.18 C=CCCC(=O)C[C@@H](C)CO 1458a_100000749702_100000059175 [1,1,0,0,0,0|0,0,2]=4 5925 B10R0.18 CC#CCC(=O)CC(C)CC 1458a_100000708755_100000748600 [1,1,0,0,0,0|0,0,2]=4 5926 B10R0.18 CC=CCC(=O)CC(C)CC 1458a_100000708755_100000070051 [1,1,0,0,0,0|0,0,2]=4 5927 B10R0.18 CC=CCC(=O)CC(C)CC 1458a_100121576822_100000748023 [1,1,0,0,0,0|0,0,2]=4 5928 B10R0.18 CC=CCC(=O)C[C@@H](C)CC 1458a_100121576822_100009816398 [1,1,0,0,0,0|0,0,2]=4 5929 B10R0.18 CC=CCC(=O)C[C@@H](C)CO 1458a_100121576822_100000059175 [1,1,0,0,0,0|0,0,2]=4 5930 B10R0.18 CCC#CC(=O)CC(C)CC 1458a_100011827653_100000748023 [1,1,0,0,0,0|0,0,2]=4 5931 B10R0.18 CCC#CC(=O)C[C@@H](C)CC 1458a_100011827653_100009816398 [1,1,0,0,0,0|0,0,2]=4 5932 B10R0.18 CCC#CC(=O)C[C@@H](C)CO 1458a_100011827653_100000059175 [1,1,0,0,0,0|0,0,2]=4 5933 B10R0.18 CCC(C)CC(=O)CCC#N 1458a_100000708755_100011215226 [1,1,0,0,0,0|1,0,1]=4 5934 B10R0.18 CCC(C)CC(=O)CCC#N 1458a_100011934036_100000748023 [1,1,0,0,0,0|1,0,1]=4 5935 B10R0.18 CCC(C)CC(=O)CCCF 1458a_100000708755_100011934791 [1,1,0,0,0,0|1,0,0]=3 5936 B10R0.18 CCC(C)CC(=O)CCCO 1458a_100000708755_100011215043 [1,1,0,0,0,0|1,0,0]=3 5937 B10R0.18 CCC(C)CC(=O)CCOC 1458a_100000708755_100000233755 [1,1,0,0,0,0|1,0,0]=3 5938 B10R0.18 CCC(C)CC(=O)CCOC 1458a_100000749529_100000748023 [1,1,0,0,0,0|1,0,0]=3 5939 B10R0.18 CCC(C)CC(=O)CCSC 1458a_100000174002_100000748023 [1,1,0,0,0,0|1,0,0]=3 5940 B10R0.18 CCC(C)CC(=O)CCSC 1458a_100000708755_100000751147 [1,1,0,0,0,0|1,0,0]=3 5941 B10R0.18 CCC(C)CC(=O)NCCF 11a_100000724931_100000708755 [1,1,0,0,0,0|2,0,0]=4 5942 B10R0.18 CCC(C)CC(=O)NCCF 1626a_100000724931_100000708755 [1,1,0,0,0,0|2,0,0]=4 5943 B10R0.18 CCC(C)CC(=O)NCCF 240690a_100000724931_100000708755 [1,1,0,0,0,0|2,0,0]=4 5944 B10R0.18 CCC(C)CC(=O)NCCF 527a_100000724931_100000708755 [1,1,0,0,0,0|2,0,0]=4 5945 B10R0.18 CCC(C)CC(=O)NCCO 240690a_100000210304_100000708755 [1,1,0,0,0,0|2,0,0]=4 5946 B10R0.18 CCC(C)CC(=O)NCCO 527a_100000210304_100000708755 [1,1,0,0,0,0|2,0,0]=4 5947 B10R0.18 CCC(C)NC(=O)CCOC 11a_100000209981_100000749529 [1,1,0,0,0,0|2,0,0]=4 5948 B10R0.18 CCC(C)NC(=O)CCOC 1626a_100000209981_100000749529 [1,1,0,0,0,0|2,0,0]=4 5949 B10R0.18 CCC(C)NC(=O)CCOC 240690a_100000209981_100000749529 [1,1,0,0,0,0|2,0,0]=4 5950 B10R0.18 CCC(C)NC(=O)CCOC 527a_100000209981_100000749529 [1,1,0,0,0,0|2,0,0]=4 5951 B10R0.18 CCC(C)NC(=O)CCSC 11a_100000209981_100000174002 [1,1,0,0,0,0|2,0,0]=4 5952 B10R0.18 CCC(C)NC(=O)CCSC 1626a_100000209981_100000174002 [1,1,0,0,0,0|2,0,0]=4 5953 B10R0.18 CCC(C)NC(=O)CCSC 240690a_100000209981_100000174002 [1,1,0,0,0,0|2,0,0]=4 5954 B10R0.18 CCC(C)NC(=O)CCSC 527a_100000209981_100000174002 [1,1,0,0,0,0|2,0,0]=4 5955 B10R0.18 CCC(O)CC(=O)CCCF 1458a_100011667805_100011934791 [1,1,0,0,0,0|2,0,0]=4 5956 B10R0.18 CCC(O)CC(=O)CCCO 1458a_100011667805_100011215043 [1,1,0,0,0,0|2,0,0]=4 5957 B10R0.18 CCC(O)CC(=O)CCOC 1458a_100000749529_100011218378 [1,1,0,0,0,0|2,0,0]=4 5958 B10R0.18 CCC(O)CC(=O)CCOC 1458a_100011667805_100000233755 [1,1,0,0,0,0|2,0,0]=4 5959 B10R0.18 CCC(O)CC(=O)CCSC 1458a_100000174002_100011218378 [1,1,0,0,0,0|2,0,0]=4 5960 B10R0.18 CCC(O)CC(=O)CCSC 1458a_100011667805_100000751147 [1,1,0,0,0,0|2,0,0]=4 5961 B10R0.18 CCC=CC(=O)CC(C)CC 1458a_100000212282_100000748023 [1,1,0,0,0,0|0,0,2]=4 5962 B10R0.18 CCC=CC(=O)C[C@@H](C)CC 1458a_100000212282_100009816398 [1,1,0,0,0,0|0,0,2]=4 5963 B10R0.18 CCC=CC(=O)C[C@@H](C)CO 1458a_100000212282_100000059175 [1,1,0,0,0,0|0,0,2]=4 5964 B10R0.18 CCCCC(=O)C=C(C)CC 1458a_100020758463_100000210211 [1,1,0,0,0,0|0,0,2]=4 5965 B10R0.18 CCCCC(=O)CC(=O)CC 1458a_100000210183_100000747405 [1,1,0,0,0,0|1,0,1]=4 5966 B10R0.18 CCCCC(=O)CC(=O)NC 1458a_100000210183_100000183359 [1,1,0,0,0,0|1,0,1]=4 5967 B10R0.18 CCCCC(=O)CC(=O)OC 1458a_100000210183_100000747449 [1,1,0,0,0,0|1,0,1]=4 5968 B10R0.18 CCCCC(=O)CC(=O)OC 1458a_100000211351_100000210211 [1,1,0,0,0,0|1,0,1]=4 5969 B10R0.18 CCCCC(=O)CC(C)CC 1458a_100000210183_100000748023 [1,1,0,0,0,0|0,0,0]=2 5970 B10R0.18 CCCCC(=O)CC(C)CC 1458a_100000708755_100000210211 [1,1,0,0,0,0|0,0,0]=2 5971 B10R0.18 CCCCC(=O)CC(O)CC 1458a_100000210183_100011218378 [1,1,0,0,0,0|1,0,0]=3 5972 B10R0.18 CCCCC(=O)CC(O)CC 1458a_100011667805_100000210211 [1,1,0,0,0,0|1,0,0]=3 5973 B10R0.18 CCCCC(=O)CN(C)CC 1458a_100116209913_100000210211 [1,1,0,0,0,0|1,0,0]=3 5974 B10R0.18 CCCCC(=O)C[C@@H](C)CC 1458a_100000210183_100009816398 [1,1,0,0,0,0|0,0,0]=2 5975 B10R0.18 CCCCC(=O)C[C@@H](C)CO 1458a_100000210183_100000059175 [1,1,0,0,0,0|0,0,0]=2 5976 B10R0.18 CCCCC(=O)NC(C)C#N 11a_100000737613_100000210183 [1,1,0,0,0,0|1,0,1]=4 5977 B10R0.18 CCCCC(=O)NC(C)C#N 1626a_100000737613_100000210183 [1,1,0,0,0,0|1,0,1]=4 5978 B10R0.18 CCCCC(=O)NC(C)C#N 527a_100000737613_100000210183 [1,1,0,0,0,0|1,0,1]=4 5979 B10R0.18 CCCCC(=O)NC(C)CC 11a_100000209981_100000210183 [1,1,0,0,0,0|1,0,0]=3 5980 B10R0.18 CCCCC(=O)NC(C)CC 1626a_100000209981_100000210183 [1,1,0,0,0,0|1,0,0]=3 5981 B10R0.18 CCCCC(=O)NC(C)CC 240690a_100000209981_100000210183 [1,1,0,0,0,0|1,0,0]=3 5982 B10R0.18 CCCCC(=O)NC(C)CC 527a_100000209981_100000210183 [1,1,0,0,0,0|1,0,0]=3 5983 B10R0.18 CCCCC(=O)N[C@H](C)CF 11a_100102880703_100000210183 [1,1,0,0,0,0|1,0,0]=3 5984 B10R0.18 CCCCC(=O)N[C@H](C)CF 1626a_100102880703_100000210183 [1,1,0,0,0,0|1,0,0]=3 5985 B10R0.18 CCCCC(=O)N[C@H](C)CF 240690a_100102880703_100000210183 [1,1,0,0,0,0|1,0,0]=3 5986 B10R0.18 CCCCC(=O)N[C@H](C)CF 527a_100102880703_100000210183 [1,1,0,0,0,0|1,0,0]=3 5987 B10R0.18 CCCCC(=O)N[C@H](C)CO 240690a_100000737577_100000210183 [1,1,0,0,0,0|1,0,0]=3 5988 B10R0.18 CCCCC(=O)N[C@H](C)CO 527a_100000737577_100000210183 [1,1,0,0,0,0|1,0,0]=3 5989 B10R0.18 CCCCN(C)CC(C)CC 2230a_100000207549_100000748023 [1,1,0,0,0,0|2,0,0]=4 5990 B10R0.18 CCCCN(C)CC(C)CC 2230a_100000753921_100000210211 [1,1,0,0,0,0|2,0,0]=4 5991 B10R0.18 CCCCN(C)CC(C)CC 269982a_100000207549_100000748023 [1,1,0,0,0,0|2,0,0]=4 5992 B10R0.18 CCCCN(C)CC(C)CC 269982a_100000753921_100000210211 [1,1,0,0,0,0|2,0,0]=4 5993 B10R0.18 CCCCN(C)CC(C)CC 270004a_100000207549_100000243153 [1,1,0,0,0,0|2,0,0]=4 5994 B10R0.18 CCCCN(C)C[C@@H](C)CC 2230a_100000207549_100009816398 [1,1,0,0,0,0|2,0,0]=4 5995 B10R0.18 CCCCN(C)C[C@@H](C)CC 269982a_100000207549_100009816398 [1,1,0,0,0,0|2,0,0]=4 5996 B10R0.18 CCCCN(C)C[C@@H](C)CO 2230a_100000207549_100000059175 [1,1,0,0,0,0|2,0,0]=4 5997 B10R0.18 CCCCN(C)C[C@@H](C)CO 269982a_100000207549_100000059175 [1,1,0,0,0,0|2,0,0]=4 5998 B10R0.18 CCCNC(=O)CC(C)CC 11a_100020643023_100000708755 [1,1,0,0,0,0|1,0,0]=3 5999 B10R0.18 CCCNC(=O)CC(C)CC 1626a_100020643023_100000708755 [1,1,0,0,0,0|1,0,0]=3 6000 B10R0.18 CCCNC(=O)CC(C)CC 240690a_100020643023_100000708755 [1,1,0,0,0,0|1,0,0]=3 6001 B10R0.18 CCCNC(=O)CC(C)CC 527a_100020643023_100000708755 [1,1,0,0,0,0|1,0,0]=3 6002 B10R0.18 CCCNC(=O)CC(O)CC 1626a_100020643023_100011667805 [1,1,0,0,0,0|2,0,0]=4 6003 B10R0.18 CCCNC(=O)CC(O)CC 240690a_100020643023_100011667805 [1,1,0,0,0,0|2,0,0]=4 6004 B10R0.18 CCCNC(=O)CN(C)CC 2230a_100000225621_100000183358 [1,1,0,0,0,0|2,0,0]=4 6005 B10R0.18 CCCNC(=O)CN(C)CC 2230a_100000684209_100000210202 [1,1,0,0,0,0|2,0,0]=4 6006 B10R0.18 CCCNC(=O)CN(C)CC 240690a_100020643023_100116209913 [1,1,0,0,0,0|2,0,0]=4 6007 B10R0.18 CCCNC(=O)CN(C)CC 269982a_100000225621_100000183358 [1,1,0,0,0,0|2,0,0]=4 6008 B10R0.18 CCCNC(=O)CN(C)CC 269982a_100000684209_100000204670 [1,1,0,0,0,0|2,0,0]=4 6009 B10R0.18 CCCNC(=O)CN(C)CC 527a_100020643023_100116209913 [1,1,0,0,0,0|2,0,0]=4 6010 B10R0.18 CCCNC(=O)CN(C)CF 269982a_100000684209_100015361967 [1,1,0,0,0,0|2,0,0]=4 6011 B10R0.18 CCCNC(=O)NC(C)CC 2708a_100000209981_100020643023 [1,1,0,0,0,0|2,0,0]=4 6012 B10R0.18 CCCNC(=O)NC(C)CC 2708a_100020643023_100000209981 [1,1,0,0,0,0|2,0,0]=4 6013 B10R0.18 CCCNC(=O)NC(C)CC 273464a_100000209981_100020643023 [1,1,0,0,0,0|2,0,0]=4 6014 B10R0.18 CCCNC(=O)NC(C)CC 273464a_100020643023_100000209981 [1,1,0,0,0,0|2,0,0]=4 6015 B10R0.18 CCCNC(=O)NC(C)CC 512a_100000209981_100020643023 [1,1,0,0,0,0|2,0,0]=4 6016 B10R0.18 CCCNC(=O)NC(C)CC 512a_100020643023_100000209981 [1,1,0,0,0,0|2,0,0]=4 6017 B10R0.18 CCCNC(=O)N[C@H](C)CF 2708a_100020643023_100102880703 [1,1,0,0,0,0|2,0,0]=4 6018 B10R0.18 CCCNC(=O)N[C@H](C)CF 273464a_100020643023_100102880703 [1,1,0,0,0,0|2,0,0]=4 6019 B10R0.18 CCCNC(=O)N[C@H](C)CF 273464a_100102880703_100020643023 [1,1,0,0,0,0|2,0,0]=4 6020 B10R0.18 CCCNC(=O)N[C@H](C)CF 512a_100020643023_100102880703 [1,1,0,0,0,0|2,0,0]=4 6021 B10R0.18 CCCNC(=O)N[C@H](C)CF 512a_100102880703_100020643023 [1,1,0,0,0,0|2,0,0]=4 6022 B10R0.18 CCCNC(=O)N[C@H](C)CO 2708a_100020643023_100000737577 [1,1,0,0,0,0|2,0,0]=4 6023 B10R0.18 CCCNC(=O)N[C@H](C)CO 273464a_100000737577_100020643023 [1,1,0,0,0,0|2,0,0]=4 6024 B10R0.18 CCCNC(=O)N[C@H](C)CO 512a_100000737577_100020643023 [1,1,0,0,0,0|2,0,0]=4 6025 B10R0.18 CCCNC(=O)N[C@H](C)CO 512a_100020643023_100000737577 [1,1,0,0,0,0|2,0,0]=4 6026 B10R0.18 CCCOC(=O)CC(=O)CC 1458a_100000210414_200011215008 [1,1,0,0,0,0|1,0,1]=4 6027 B10R0.18 CCCOC(=O)CC(=O)CO 1458a_100000210174_200011215008 [1,1,0,0,0,0|1,0,1]=4 6028 B10R0.18 CCCOC(=O)CN(C)CC 2230a_100000225621_200011215008 [1,1,0,0,0,0|1,0,0]=3 6029 B10R0.18 CCCOC(=O)CN(C)CC 269982a_100000225621_200011215008 [1,1,0,0,0,0|1,0,0]=3 6030 B10R0.18 CCN(C)CC(=O)CCCF 1458a_100116209913_100011934791 [1,1,0,0,0,0|2,0,0]=4 6031 B10R0.18 CCN(C)CC(=O)CCCO 1458a_100116209913_100011215043 [1,1,0,0,0,0|2,0,0]=4 6032 B10R0.18 CCN(C)CC(=O)CCOC 1458a_100116209913_100000233755 [1,1,0,0,0,0|2,0,0]=4 6033 B10R0.18 CCN(C)CC(=O)CCSC 1458a_100116209913_100000751147 [1,1,0,0,0,0|2,0,0]=4 6034 B10R0.18 CCNCC(=O)NC(C)CC 2230a_100015525214_100000182745 [1,1,0,0,0,0|2,0,0]=4 6035 B10R0.18 CCNNC(=O)CC(C)CC 22a_100000756455_100000708755 [1,1,0,0,0,0|2,0,0]=4 6036 B10R0.18 CCOCC(=O)CC(C)CC 1458a_100000211967_100000748023 [1,1,0,0,0,0|1,0,0]=3 6037 B10R0.18 CCOCC(=O)CC(O)CC 1458a_100000211967_100011218378 [1,1,0,0,0,0|2,0,0]=4 6038 B10R0.18 CCOCC(=O)C[C@@H](C)CC 1458a_100000211967_100009816398 [1,1,0,0,0,0|1,0,0]=3 6039 B10R0.18 CCOCC(=O)C[C@@H](C)CO 1458a_100000211967_100000059175 [1,1,0,0,0,0|1,0,0]=3 6040 B10R0.18 CCOCC(=O)NC(C)CC 11a_100000209981_100000211967 [1,1,0,0,0,0|2,0,0]=4 6041 B10R0.18 CCOCC(=O)NC(C)CC 1626a_100000209981_100000211967 [1,1,0,0,0,0|2,0,0]=4 6042 B10R0.18 CCOCC(=O)NC(C)CC 240690a_100000209981_100000211967 [1,1,0,0,0,0|2,0,0]=4 6043 B10R0.18 CCOCC(=O)NC(C)CC 34a_100121572206_100000182745 [1,1,0,0,0,0|2,0,0]=4 6044 B10R0.18 CCOCC(=O)NC(C)CC 527a_100000209981_100000211967 [1,1,0,0,0,0|2,0,0]=4 6045 B10R0.18 CCOCC(=O)N[C@H](C)CF 11a_100102880703_100000211967 [1,1,0,0,0,0|2,0,0]=4 6046 B10R0.18 CCOCC(=O)N[C@H](C)CF 1626a_100102880703_100000211967 [1,1,0,0,0,0|2,0,0]=4 6047 B10R0.18 CCOCC(=O)N[C@H](C)CF 240690a_100102880703_100000211967 [1,1,0,0,0,0|2,0,0]=4 6048 B10R0.18 CCOCC(=O)N[C@H](C)CF 527a_100102880703_100000211967 [1,1,0,0,0,0|2,0,0]=4 6049 B10R0.18 CCOCC(=O)N[C@H](C)CO 240690a_100000737577_100000211967 [1,1,0,0,0,0|2,0,0]=4 6050 B10R0.18 CCOCC(=O)N[C@H](C)CO 527a_100000737577_100000211967 [1,1,0,0,0,0|2,0,0]=4 6051 B10R0.18 CCSCC(=O)CC(C)CC 1458a_100000230394_100000748023 [1,1,0,0,0,0|1,0,0]=3 6052 B10R0.18 CCSCC(=O)CC(O)CC 1458a_100000230394_100011218378 [1,1,0,0,0,0|2,0,0]=4 6053 B10R0.18 CCSCC(=O)C[C@@H](C)CC 1458a_100000230394_100009816398 [1,1,0,0,0,0|1,0,0]=3 6054 B10R0.18 CCSCC(=O)C[C@@H](C)CO 1458a_100000230394_100000059175 [1,1,0,0,0,0|1,0,0]=3 6055 B10R0.18 CCSCC(=O)NC(C)CC 11a_100000209981_100000230394 [1,1,0,0,0,0|2,0,0]=4 6056 B10R0.18 CCSCC(=O)NC(C)CC 1626a_100000209981_100000230394 [1,1,0,0,0,0|2,0,0]=4 6057 B10R0.18 CCSCC(=O)NC(C)CC 240690a_100000209981_100000230394 [1,1,0,0,0,0|2,0,0]=4 6058 B10R0.18 CCSCC(=O)NC(C)CC 527a_100000209981_100000230394 [1,1,0,0,0,0|2,0,0]=4 6059 B10R0.18 CCSCC(=O)NC(C)CC 62a_100000182745_100000210202 [1,1,0,0,0,0|2,0,0]=4 6060 B10R0.18 CCSCC(=O)NC(C)CC 62a_100000210202_100000182745 [1,1,0,0,0,0|2,0,0]=4 6061 B10R0.18 CCSCC(=O)N[C@H](C)CF 11a_100102880703_100000230394 [1,1,0,0,0,0|2,0,0]=4 6062 B10R0.18 CCSCC(=O)N[C@H](C)CF 1626a_100102880703_100000230394 [1,1,0,0,0,0|2,0,0]=4 6063 B10R0.18 CCSCC(=O)N[C@H](C)CF 240690a_100102880703_100000230394 [1,1,0,0,0,0|2,0,0]=4 6064 B10R0.18 CCSCC(=O)N[C@H](C)CF 527a_100102880703_100000230394 [1,1,0,0,0,0|2,0,0]=4 6065 B10R0.18 CCSCC(=O)N[C@H](C)CO 240690a_100000737577_100000230394 [1,1,0,0,0,0|2,0,0]=4 6066 B10R0.18 CCSCC(=O)N[C@H](C)CO 527a_100000737577_100000230394 [1,1,0,0,0,0|2,0,0]=4 6067 B10R0.18 CC[C@H](C)CC(=O)CCC#N 1458a_100011934036_100009816398 [1,1,0,0,0,0|1,0,1]=4 6068 B10R0.18 CC[C@H](C)CC(=O)CCOC 1458a_100000749529_100009816398 [1,1,0,0,0,0|1,0,0]=3 6069 B10R0.18 CC[C@H](C)CC(=O)CCSC 1458a_100000174002_100009816398 [1,1,0,0,0,0|1,0,0]=3 6070 B10R0.18 COCCC(=O)C[C@@H](C)CO 1458a_100000749529_100000059175 [1,1,0,0,0,0|1,0,0]=3 6071 B10R0.18 COCCC(=O)N[C@H](C)CF 11a_100102880703_100000749529 [1,1,0,0,0,0|2,0,0]=4 6072 B10R0.18 COCCC(=O)N[C@H](C)CF 1626a_100102880703_100000749529 [1,1,0,0,0,0|2,0,0]=4 6073 B10R0.18 COCCC(=O)N[C@H](C)CF 240690a_100102880703_100000749529 [1,1,0,0,0,0|2,0,0]=4 6074 B10R0.18 COCCC(=O)N[C@H](C)CF 527a_100102880703_100000749529 [1,1,0,0,0,0|2,0,0]=4 6075 B10R0.18 COCCC(=O)N[C@H](C)CO 240690a_100000737577_100000749529 [1,1,0,0,0,0|2,0,0]=4 6076 B10R0.18 COCCC(=O)N[C@H](C)CO 527a_100000737577_100000749529 [1,1,0,0,0,0|2,0,0]=4 6077 B10R0.18 CSCCC(=O)C[C@@H](C)CO 1458a_100000174002_100000059175 [1,1,0,0,0,0|1,0,0]=3 6078 B10R0.18 CSCCC(=O)N[C@H](C)CF 11a_100102880703_100000174002 [1,1,0,0,0,0|2,0,0]=4 6079 B10R0.18 CSCCC(=O)N[C@H](C)CF 1626a_100102880703_100000174002 [1,1,0,0,0,0|2,0,0]=4 6080 B10R0.18 CSCCC(=O)N[C@H](C)CF 240690a_100102880703_100000174002 [1,1,0,0,0,0|2,0,0]=4 6081 B10R0.18 CSCCC(=O)N[C@H](C)CF 527a_100102880703_100000174002 [1,1,0,0,0,0|2,0,0]=4 6082 B10R0.18 CSCCC(=O)N[C@H](C)CO 240690a_100000737577_100000174002 [1,1,0,0,0,0|2,0,0]=4 6083 B10R0.18 CSCCC(=O)N[C@H](C)CO 527a_100000737577_100000174002 [1,1,0,0,0,0|2,0,0]=4 6084 B10R0.18 C[C@@H](CO)CC(=O)CCC#N 1458a_100011934036_100000059175 [1,1,0,0,0,0|1,0,1]=4 6085 B10R0.28 C#CCCC(=O)CC(C)(C)C 1458a_100000211214_100000753159 [1,1,0,0,0,0|0,0,2]=4 6086 B10R0.28 C#CCCC(=O)CC(C)(C)O 1458a_100000693243_100000753159 [1,1,0,0,0,0|0,0,2]=4 6087 B10R0.28 C/C=C/CC(=O)CC(C)(C)C 1458a_100000211214_100102629194 [1,1,0,0,0,0|0,0,2]=4 6088 B10R0.28 C/C=C/CC(=O)CC(C)(C)O 1458a_100000693243_100102629194 [1,1,0,0,0,0|0,0,2]=4 6089 B10R0.28 C=CCCC(=O)CC(C)(C)C 1458a_100000211214_100000754431 [1,1,0,0,0,0|0,0,2]=4 6090 B10R0.28 C=CCCC(=O)CC(C)(C)O 1458a_100000693243_100000754431 [1,1,0,0,0,0|0,0,2]=4 6091 B10R0.28 CC#CCC(=O)CC(C)(C)C 1458a_100000211214_100000748600 [1,1,0,0,0,0|0,0,2]=4 6092 B10R0.28 CC#CCC(=O)CC(C)(C)O 1458a_100000693243_100000748600 [1,1,0,0,0,0|0,0,2]=4 6093 B10R0.28 CC(C)(C)CC(=O)CCC#N 1458a_100000211214_100011215226 [1,1,0,0,0,0|1,0,1]=4 6094 B10R0.28 CC(C)(C)CC(=O)CCCF 1458a_100000211214_100011934791 [1,1,0,0,0,0|1,0,0]=3 6095 B10R0.28 CC(C)(C)CC(=O)CCCO 1458a_100000211214_100011215043 [1,1,0,0,0,0|1,0,0]=3 6096 B10R0.28 CC(C)(C)CC(=O)NCCF 11a_100000724931_100000211214 [1,1,0,0,0,0|2,0,0]=4 6097 B10R0.28 CC(C)(C)CC(=O)NCCF 1626a_100000724931_100000211214 [1,1,0,0,0,0|2,0,0]=4 6098 B10R0.28 CC(C)(C)CC(=O)NCCF 240690a_100000724931_100000211214 [1,1,0,0,0,0|2,0,0]=4 6099 B10R0.28 CC(C)(C)CC(=O)NCCF 527a_100000724931_100000211214 [1,1,0,0,0,0|2,0,0]=4 6100 B10R0.28 CC(C)(C)CC(=O)NCCO 240690a_100000210304_100000211214 [1,1,0,0,0,0|2,0,0]=4 6101 B10R0.28 CC(C)(C)CC(=O)NCCO 527a_100000210304_100000211214 [1,1,0,0,0,0|2,0,0]=4 6102 B10R0.28 CC(C)(C)CC(=O)OCS[13CH3] 62a_200010999194_200025704644 [1,1,0,0,0,0|1,0,0]=3 6103 B10R0.28 CC(C)(C)CC(=O)OCS[13CH3] 62a_200025704644_200010999194 [1,1,0,0,0,0|1,0,0]=3 6104 B10R0.28 CC(C)(C)NC(=O)CCS[13CH3] 62a_100011194433_200025704644 [1,1,0,0,0,0|2,0,0]=4 6105 B10R0.28 CC(C)(C)NC(=O)CCS[13CH3] 62a_200025704644_100011194433 [1,1,0,0,0,0|2,0,0]=4 6106 B10R0.28 CC(C)(C)OC(=O)CCO[13CH3] 34a_100011934494_200025704644 [1,1,0,0,0,0|2,0,0]=4 6107 B10R0.28 CC(C)(C)OC(=O)CCO[13CH3] 7a_100011934494_200025704644 [1,1,0,0,0,0|2,0,0]=4 6108 B10R0.28 CC(C)(C)OC(=O)CCS[13CH3] 62a_100009816755_200025704644 [1,1,0,0,0,0|2,0,0]=4 6109 B10R0.28 CC(C)(C)OC(=O)CCS[13CH3] 62a_200025704644_100009816755 [1,1,0,0,0,0|2,0,0]=4 6110 B10R0.28 CC(C)(O)CC(=O)CCC#N 1458a_100000693243_100011215226 [1,1,0,0,0,0|1,0,1]=4 6111 B10R0.28 CC(C)(O)CC(=O)CCCF 1458a_100000693243_100011934791 [1,1,0,0,0,0|1,0,0]=3 6112 B10R0.28 CC(C)(O)CC(=O)CCCO 1458a_100000693243_100011215043 [1,1,0,0,0,0|1,0,0]=3 6113 B10R0.28 CC(C)(O)CC(=O)NCCF 527a_100000724931_100000693243 [1,1,0,0,0,0|2,0,0]=4 6114 B10R0.28 CC(C)(O)CC(=O)NCCO 527a_100000210304_100000693243 [1,1,0,0,0,0|2,0,0]=4 6115 B10R0.28 CC=CCC(=O)CC(C)(C)C 1458a_100000211214_100000070051 [1,1,0,0,0,0|0,0,2]=4 6116 B10R0.28 CC=CCC(=O)CC(C)(C)O 1458a_100000693243_100000070051 [1,1,0,0,0,0|0,0,2]=4 6117 B10R0.28 CCCCC(=O)CC(C)(C)C 1458a_100000211214_100000210211 [1,1,0,0,0,0|0,0,0]=2 6118 B10R0.28 CCCCC(=O)CC(C)(C)O 1458a_100000693243_100000210211 [1,1,0,0,0,0|0,0,0]=2 6119 B10R0.28 CCCCC(=O)CC(F)(F)F 1458a_100000245130_100000210211 [1,1,0,0,0,0|2,0,0]=4 6120 B10R0.28 CCCCC(=O)CS(=O)(=O)C 1458a_100000744497_100000210211 [1,1,0,0,0,0|2,0,0]=4 6121 B10R0.28 CCCCC(=O)C[N+](C)(C)C 1458a_100000033712_100000210211 [1,1,0,0,0,0|1,0,0]=3 6122 B10R0.28 CCCCC(=O)C[Si](C)(C)C 1458a_100000210183_100000233785 [1,1,0,0,0,0|0,1,0]=3 6123 B10R0.28 CCCCC(=O)C[Si](C)(C)C 1458a_100011218504_100000210211 [1,1,0,0,0,0|0,1,0]=3 6124 B10R0.28 CCCCC(=O)NC(C)(C)C 11a_100000715429_100000210183 [1,1,0,0,0,0|1,0,0]=3 6125 B10R0.28 CCCCC(=O)NC(C)(C)C 1626a_100000715429_100000210183 [1,1,0,0,0,0|1,0,0]=3 6126 B10R0.28 CCCCC(=O)NC(C)(C)C 240690a_100000715429_100000210183 [1,1,0,0,0,0|1,0,0]=3 6127 B10R0.28 CCCCC(=O)NC(C)(C)C 527a_100000715429_100000210183 [1,1,0,0,0,0|1,0,0]=3 6128 B10R0.28 CCCCN(C)CC(C)(C)C 2230a_100000742839_100000210211 [1,1,0,0,0,0|2,0,0]=4 6129 B10R0.28 CCCCN(C)CC(C)(C)C 269982a_100000742839_100000210211 [1,1,0,0,0,0|2,0,0]=4 6130 B10R0.28 CCCCN(C)CC(C)(C)C 270004a_100000207549_100011204126 [1,1,0,0,0,0|2,0,0]=4 6131 B10R0.28 CCCCN(C)CC(C)(C)O 2230a_100000755907_100000210211 [1,1,0,0,0,0|2,0,0]=4 6132 B10R0.28 CCCCN(C)CC(C)(C)O 269982a_100000755907_100000210211 [1,1,0,0,0,0|2,0,0]=4 6133 B10R0.28 CCCNC(=O)CC(C)(C)C 11a_100020643023_100000211214 [1,1,0,0,0,0|1,0,0]=3 6134 B10R0.28 CCCNC(=O)CC(C)(C)C 1626a_100020643023_100000211214 [1,1,0,0,0,0|1,0,0]=3 6135 B10R0.28 CCCNC(=O)CC(C)(C)C 240690a_100020643023_100000211214 [1,1,0,0,0,0|1,0,0]=3 6136 B10R0.28 CCCNC(=O)CC(C)(C)C 527a_100020643023_100000211214 [1,1,0,0,0,0|1,0,0]=3 6137 B10R0.28 CCCNC(=O)CC(C)(C)O 527a_100020643023_100000693243 [1,1,0,0,0,0|1,0,0]=3 6138 B10R0.28 CCCNC(=O)C[N+](C)(C)C 11a_100020643023_100000033712 [1,1,0,0,0,0|2,0,0]=4 6139 B10R0.28 CCCNC(=O)C[N+](C)(C)C 1626a_100020643023_100000033712 [1,1,0,0,0,0|2,0,0]=4 6140 B10R0.28 CCCNC(=O)C[N+](C)(C)C 240690a_100020643023_100000033712 [1,1,0,0,0,0|2,0,0]=4 6141 B10R0.28 CCCNC(=O)C[N+](C)(C)C 527a_100020643023_100000033712 [1,1,0,0,0,0|2,0,0]=4 6142 B10R0.28 CCCNC(=O)C[Si](C)(C)C 11a_100020643023_100011218504 [1,1,0,0,0,0|1,1,0]=4 6143 B10R0.28 CCCNC(=O)C[Si](C)(C)C 1626a_100020643023_100011218504 [1,1,0,0,0,0|1,1,0]=4 6144 B10R0.28 CCCNC(=O)NC(C)(C)C 2708a_100020643023_100000715429 [1,1,0,0,0,0|2,0,0]=4 6145 B10R0.28 CCCNC(=O)NC(C)(C)C 273464a_100000715429_100020643023 [1,1,0,0,0,0|2,0,0]=4 6146 B10R0.28 CCCNC(=O)NC(C)(C)C 273464a_100020643023_100000715429 [1,1,0,0,0,0|2,0,0]=4 6147 B10R0.28 CCCNC(=O)NC(C)(C)C 512a_100000715429_100020643023 [1,1,0,0,0,0|2,0,0]=4 6148 B10R0.28 CCCOC(C)CC(C)(C)C 7a_200011218616_100000210303 [1,1,0,0,0,0|1,0,1]=4 6149 B10R0.28 CCNCC(=O)NC(C)(C)C 2230a_100000174917_100000210202 [1,1,0,0,0,0|2,0,0]=4 6150 B10R0.28 CCNCC(=O)NC(C)(C)C 2230a_100015525214_100000182746 [1,1,0,0,0,0|2,0,0]=4 6151 B10R0.28 CCNCC(=O)NC(C)(C)C 34a_100000174917_100000210202 [1,1,0,0,0,0|2,0,0]=4 6152 B10R0.28 CCNCC(=O)OC(C)(C)C 2230a_100015525214_100000183872 [1,1,0,0,0,0|2,0,0]=4 6153 B10R0.28 CCNNC(=O)CC(C)(C)C 22a_100000756455_100000211214 [1,1,0,0,0,0|2,0,0]=4 6154 B10R0.28 CCNNC(=O)CC(C)(C)O 22a_100000756455_100000693243 [1,1,0,0,0,0|2,0,0]=4 6155 B10R0.28 CCOCC(=O)C[Si](C)(C)C 1458a_100000211967_100000233785 [1,1,0,0,0,0|1,1,0]=4 6156 B10R0.28 CCOCC(=O)NC(C)(C)C 11a_100000715429_100000211967 [1,1,0,0,0,0|2,0,0]=4 6157 B10R0.28 CCOCC(=O)NC(C)(C)C 1626a_100000715429_100000211967 [1,1,0,0,0,0|2,0,0]=4 6158 B10R0.28 CCOCC(=O)NC(C)(C)C 240690a_100000715429_100000211967 [1,1,0,0,0,0|2,0,0]=4 6159 B10R0.28 CCOCC(=O)NC(C)(C)C 34a_100121572206_100000182746 [1,1,0,0,0,0|2,0,0]=4 6160 B10R0.28 CCOCC(=O)NC(C)(C)C 527a_100000715429_100000211967 [1,1,0,0,0,0|2,0,0]=4 6161 B10R0.28 CCOCC(=O)OC(C)(C)C 34a_100000752683_100000210202 [1,1,0,0,0,0|2,0,0]=4 6162 B10R0.28 CCOCC(=O)OC(C)(C)C 34a_100121572206_100000183872 [1,1,0,0,0,0|2,0,0]=4 6163 B10R0.28 CCSCC(=O)C[Si](C)(C)C 1458a_100000230394_100000233785 [1,1,0,0,0,0|1,1,0]=4 6164 B10R0.28 CCSCC(=O)NC(C)(C)C 11a_100000715429_100000230394 [1,1,0,0,0,0|2,0,0]=4 6165 B10R0.28 CCSCC(=O)NC(C)(C)C 1626a_100000715429_100000230394 [1,1,0,0,0,0|2,0,0]=4 6166 B10R0.28 CCSCC(=O)NC(C)(C)C 240690a_100000715429_100000230394 [1,1,0,0,0,0|2,0,0]=4 6167 B10R0.28 CCSCC(=O)NC(C)(C)C 527a_100000715429_100000230394 [1,1,0,0,0,0|2,0,0]=4 6168 B10R0.28 CCSCC(=O)NC(C)(C)C 62a_100000182746_100000210202 [1,1,0,0,0,0|2,0,0]=4 6169 B10R0.28 CCSCC(=O)NC(C)(C)C 62a_100000210202_100000182746 [1,1,0,0,0,0|2,0,0]=4 6170 B10R0.28 CCSCC(=O)OC(C)(C)C 62a_100000183872_100000210202 [1,1,0,0,0,0|2,0,0]=4 6171 B10R0.28 CCSCC(=O)OC(C)(C)C 62a_100000210202_100000183872 [1,1,0,0,0,0|2,0,0]=4 6172 B10R0.28 CNCCC(=O)NC(C)(C)C 2230a_106832991635_100011194433 [1,1,0,0,0,0|2,0,0]=4 6173 B10R0.28 CNCCC(=O)NC(C)(C)C 7a_106832991635_100011194433 [1,1,0,0,0,0|2,0,0]=4 6174 B10R0.28 CNCCC(=O)OC(C)(C)C 2230a_106832991635_100009816755 [1,1,0,0,0,0|2,0,0]=4 6175 B10R0.28 CNCCC(=O)OC(C)(C)C 34a_100102657272_100009816755 [1,1,0,0,0,0|2,0,0]=4 6176 B10R0.28 CNCCC(=O)OC(C)(C)C 7a_106832991635_100009816755 [1,1,0,0,0,0|2,0,0]=4 6177 B10R0.28 CNCOC(=O)CC(C)(C)C 2230a_106832991635_200010999194 [1,1,0,0,0,0|1,0,0]=3 6178 B10R0.28 CNCOC(=O)CC(C)(C)C 34a_100102657272_200010999194 [1,1,0,0,0,0|1,0,0]=3 6179 B10R0.28 CNCOC(=O)CC(C)(C)C 7a_106832991635_200010999194 [1,1,0,0,0,0|1,0,0]=3 6180 B10R0.28 COCCC(=O)CC(C)(C)C 1458a_100000211214_100000233755 [1,1,0,0,0,0|1,0,0]=3 6181 B10R0.28 COCCC(=O)CC(C)(C)O 1458a_100000693243_100000233755 [1,1,0,0,0,0|1,0,0]=3 6182 B10R0.28 COCCC(=O)C[N+](C)(C)C 1458a_100000033712_100000233755 [1,1,0,0,0,0|2,0,0]=4 6183 B10R0.28 COCCC(=O)C[Si](C)(C)C 1458a_100000749529_100000233785 [1,1,0,0,0,0|1,1,0]=4 6184 B10R0.28 COCCC(=O)C[Si](C)(C)C 1458a_100011218504_100000233755 [1,1,0,0,0,0|1,1,0]=4 6185 B10R0.28 COCCC(=O)NC(C)(C)C 11a_100000715429_100000749529 [1,1,0,0,0,0|2,0,0]=4 6186 B10R0.28 COCCC(=O)NC(C)(C)C 1626a_100000715429_100000749529 [1,1,0,0,0,0|2,0,0]=4 6187 B10R0.28 COCCC(=O)NC(C)(C)C 240690a_100000715429_100000749529 [1,1,0,0,0,0|2,0,0]=4 6188 B10R0.28 COCCC(=O)NC(C)(C)C 527a_100000715429_100000749529 [1,1,0,0,0,0|2,0,0]=4 6189 B10R0.28 COCCC(=O)OC(C)(C)C 34a_100011934494_200000210301 [1,1,0,0,0,0|2,0,0]=4 6190 B10R0.28 COCCC(=O)OC(C)(C)C 34a_100138415774_100009816755 [1,1,0,0,0,0|2,0,0]=4 6191 B10R0.28 COCCC(=O)OC(C)(C)C 7a_100011934494_200000210301 [1,1,0,0,0,0|2,0,0]=4 6192 B10R0.28 COCOC(=O)CC(C)(C)C 34a_100138415774_200010999194 [1,1,0,0,0,0|1,0,0]=3 6193 B10R0.28 CSCCC(=O)CC(C)(C)C 1458a_100000211214_100000751147 [1,1,0,0,0,0|1,0,0]=3 6194 B10R0.28 CSCCC(=O)CC(C)(C)O 1458a_100000693243_100000751147 [1,1,0,0,0,0|1,0,0]=3 6195 B10R0.28 CSCCC(=O)C[N+](C)(C)C 1458a_100000033712_100000751147 [1,1,0,0,0,0|2,0,0]=4 6196 B10R0.28 CSCCC(=O)C[Si](C)(C)C 1458a_100000174002_100000233785 [1,1,0,0,0,0|1,1,0]=4 6197 B10R0.28 CSCCC(=O)C[Si](C)(C)C 1458a_100011218504_100000751147 [1,1,0,0,0,0|1,1,0]=4 6198 B10R0.28 CSCCC(=O)NC(C)(C)C 11a_100000715429_100000174002 [1,1,0,0,0,0|2,0,0]=4 6199 B10R0.28 CSCCC(=O)NC(C)(C)C 1626a_100000715429_100000174002 [1,1,0,0,0,0|2,0,0]=4 6200 B10R0.28 CSCCC(=O)NC(C)(C)C 240690a_100000715429_100000174002 [1,1,0,0,0,0|2,0,0]=4 6201 B10R0.28 CSCCC(=O)NC(C)(C)C 527a_100000715429_100000174002 [1,1,0,0,0,0|2,0,0]=4 6202 B10R0.28 CSCCC(=O)NC(C)(C)C 62a_100011194433_200000210301 [1,1,0,0,0,0|2,0,0]=4 6203 B10R0.28 CSCCC(=O)NC(C)(C)C 62a_200000210301_100011194433 [1,1,0,0,0,0|2,0,0]=4 6204 B10R0.28 CSCCC(=O)OC(C)(C)C 62a_100009816755_200000210301 [1,1,0,0,0,0|2,0,0]=4 6205 B10R0.28 CSCCC(=O)OC(C)(C)C 62a_200000210301_100009816755 [1,1,0,0,0,0|2,0,0]=4 6206 B10R0.28 CSCOC(=O)CC(C)(C)C 62a_200000210301_200010999194 [1,1,0,0,0,0|1,0,0]=3 6207 B10R0.28 CSCOC(=O)CC(C)(C)C 62a_200010999194_200000210301 [1,1,0,0,0,0|1,0,0]=3 6208 B10R0.28 C[N+](C)(C)CC(=O)CCCF 1458a_100000033712_100011934791 [1,1,0,0,0,0|2,0,0]=4 6209 B10R0.28 C[N+](C)(C)CC(=O)CCCO 1458a_100000033712_100011215043 [1,1,0,0,0,0|2,0,0]=4 6210 B10R0.28 C[Si](C)(C)CC(=O)CCCF 1458a_100011218504_100011934791 [1,1,0,0,0,0|1,1,0]=4 6211 B10R0.28 C[Si](C)(C)CC(=O)CCCO 1458a_100011218504_100011215043 [1,1,0,0,0,0|1,1,0]=4 6212 B10R0.32 C=C(C)CC(=O)C(C)CCC 1458a_100000210906_100000748629 [1,1,0,0,0,0|0,0,2]=4 6213 B10R0.32 C=C(C)CC(=O)[C@@H](O)CCC 1458a_100009822183_100000748629 [1,1,0,0,0,0|0,0,2]=4 6214 B10R0.32 C=C(CC(C)C)C(C)NCC 269862a_100015525214_100009860644 [1,1,0,0,0,0|2,0,0]=4 6215 B10R0.32 C=CCC(C)C(=O)CC(C)C 1458a_100011216819_100000210624 [1,1,0,0,0,0|0,0,2]=4 6216 B10R0.32 CC(C)CC(=O)C(C)CC#N 1458a_100000210554_100009813641 [1,1,0,0,0,0|1,0,1]=4 6217 B10R0.32 CC(C)CC(=O)C(C)CCO 1458a_100000210554_100009893172 [1,1,0,0,0,0|1,0,0]=3 6218 B10R0.32 CC(C)CC(=O)N(C)CCO 240690a_100000210263_100000210554 [1,1,0,0,0,0|2,0,0]=4 6219 B10R0.32 CC(C)CC(=O)N(C)CCO 527a_100000210263_100000210554 [1,1,0,0,0,0|2,0,0]=4 6220 B10R0.32 CC(C)OC(=O)[C@@H](N)CO[13CH3] 34a_100121572844_200025704644 [1,1,0,0,0,0|2,0,0]=4 6221 B10R0.32 CC(CCO)C(=O)CN(C)C 1458a_100000750896_100009893172 [1,1,0,0,0,0|2,0,0]=4 6222 B10R0.32 CC(CCO)C(=O)C[C@@H](C)O 1458a_100011933948_100009893172 [1,1,0,0,0,0|2,0,0]=4 6223 B10R0.32 CC(CCO)C(=O)C[S+](C)C 1458a_200159257847_100009893172 [1,1,0,0,0,0|2,0,0]=4 6224 B10R0.32 CC/C=C(\C)/C(=O)CC(C)C 1458a_100016988807_100000210624 [1,1,0,0,0,0|0,0,2]=4 6225 B10R0.32 CCCC(=O)C(=O)NC(C)C 1458a_100011220036_100000210303 [1,1,0,0,0,0|1,0,1]=4 6226 B10R0.32 CCCC(C)C(=O)C=C(C)C 1458a_100000211388_100000766640 [1,1,0,0,0,0|0,0,2]=4 6227 B10R0.32 CCCC(C)C(=O)CC(C)C 1458a_100000210554_100000766640 [1,1,0,0,0,0|0,0,0]=2 6228 B10R0.32 CCCC(C)C(=O)CC(C)C 1458a_100000210906_100000210624 [1,1,0,0,0,0|0,0,0]=2 6229 B10R0.32 CCCC(C)C(=O)CC(C)O 1458a_100000210906_100011218427 [1,1,0,0,0,0|1,0,0]=3 6230 B10R0.32 CCCC(C)C(=O)CC(F)F 1458a_100000210906_100011934356 [1,1,0,0,0,0|2,0,0]=4 6231 B10R0.32 CCCC(C)C(=O)CN(C)C 1458a_100000750896_100000766640 [1,1,0,0,0,0|1,0,0]=3 6232 B10R0.32 CCCC(C)C(=O)C[C@@H](C)O 1458a_100011933948_100000766640 [1,1,0,0,0,0|1,0,0]=3 6233 B10R0.32 CCCC(C)C(=O)C[S+](C)C 1458a_200159257847_100000766640 [1,1,0,0,0,0|1,0,0]=3 6234 B10R0.32 CCCC(C)C(=O)NC(C)C 11a_100138425928_100000210906 [1,1,0,0,0,0|1,0,0]=3 6235 B10R0.32 CCCC(C)C(=O)NC(C)C 1626a_100138425928_100000210906 [1,1,0,0,0,0|1,0,0]=3 6236 B10R0.32 CCCC(C)C(=O)NC(C)C 240690a_100138425928_100000210906 [1,1,0,0,0,0|1,0,0]=3 6237 B10R0.32 CCCC(C)C(=O)NC(C)C 527a_100138425928_100000210906 [1,1,0,0,0,0|1,0,0]=3 6238 B10R0.32 CCCC(C)N(C)CC(C)C 2230a_100000747067_100000766640 [1,1,0,0,0,0|2,0,0]=4 6239 B10R0.32 CCCC(C)N(C)CC(C)C 269982a_100000747067_100000766640 [1,1,0,0,0,0|2,0,0]=4 6240 B10R0.32 CCCC(C)N(C)CC(C)C 270004a_100000747067_100000211909 [1,1,0,0,0,0|2,0,0]=4 6241 B10R0.32 CCCN(C)C(=O)CC(C)C 11a_100000747261_100000210554 [1,1,0,0,0,0|1,0,0]=3 6242 B10R0.32 CCCN(C)C(=O)CC(C)C 1626a_100000747261_100000210554 [1,1,0,0,0,0|1,0,0]=3 6243 B10R0.32 CCCN(C)C(=O)CC(C)C 240690a_100000747261_100000210554 [1,1,0,0,0,0|1,0,0]=3 6244 B10R0.32 CCCN(C)C(=O)CC(C)C 527a_100000747261_100000210554 [1,1,0,0,0,0|1,0,0]=3 6245 B10R0.32 CCCN(C)C(=O)CN(C)C 11a_100000747261_100000750896 [1,1,0,0,0,0|2,0,0]=4 6246 B10R0.32 CCCN(C)C(=O)CN(C)C 240690a_100000747261_100000750896 [1,1,0,0,0,0|2,0,0]=4 6247 B10R0.32 CCCN(C)C(=O)CN(C)C 527a_100000747261_100000750896 [1,1,0,0,0,0|2,0,0]=4 6248 B10R0.32 CCCN(C)C(=O)C[C@@H](C)O 240690a_100000747261_100011933948 [1,1,0,0,0,0|2,0,0]=4 6249 B10R0.32 CCCN(C)C(=O)C[S+](C)C 11a_100000747261_200159257847 [1,1,0,0,0,0|2,0,0]=4 6250 B10R0.32 CCCN(C)C(=O)C[S+](C)C 1626a_100000747261_200159257847 [1,1,0,0,0,0|2,0,0]=4 6251 B10R0.32 CCCN(C)C(=O)C[S+](C)C 240690a_100000747261_200159257847 [1,1,0,0,0,0|2,0,0]=4 6252 B10R0.32 CCCN(C)C(=O)C[S+](C)C 527a_100000747261_200159257847 [1,1,0,0,0,0|2,0,0]=4 6253 B10R0.32 CCCN(C)C(=O)NC(C)C 2708a_100138425928_100000747261 [1,1,0,0,0,0|2,0,0]=4 6254 B10R0.32 CCCN(C)C(=O)NC(C)C 273464a_100138425928_100000747261 [1,1,0,0,0,0|2,0,0]=4 6255 B10R0.32 CCC[C@H](O)C(=O)CC(C)C 1458a_100009822183_100000210624 [1,1,0,0,0,0|0,0,0]=2 6256 B10R0.32 CCC[C@H](O)C(=O)CC(C)O 1458a_100009822183_100011218427 [1,1,0,0,0,0|1,0,0]=3 6257 B10R0.32 CCC[C@H](O)C(=O)CC(F)F 1458a_100009822183_100011934356 [1,1,0,0,0,0|2,0,0]=4 6258 B10R0.32 CCC[C@H](O)C(=O)NC(C)C 240690a_100138425928_100009822183 [1,1,0,0,0,0|1,0,0]=3 6259 B10R0.32 CCNC(=O)C(=O)CC(C)C 1458a_200011297158_100000210624 [1,1,0,0,0,0|1,0,1]=4 6260 B10R0.32 CCNC(C)C(=O)NC(C)C 2230a_100015205314_100000210202 [1,1,0,0,0,0|2,0,0]=4 6261 B10R0.32 CCNC(C)C(=O)NC(C)C 2230a_100015525214_100000195394 [1,1,0,0,0,0|2,0,0]=4 6262 B10R0.32 CCNC(C)C(=O)NC(C)C 34a_100015205314_100000210202 [1,1,0,0,0,0|2,0,0]=4 6263 B10R0.32 CCOC(C)C(=O)CC(C)C 1458a_100000739345_100000210624 [1,1,0,0,0,0|1,0,0]=3 6264 B10R0.32 CCOC(C)C(=O)CC(C)O 1458a_100000739345_100011218427 [1,1,0,0,0,0|2,0,0]=4 6265 B10R0.32 CCOC(C)C(=O)NC(C)C 11a_100138425928_100000739345 [1,1,0,0,0,0|2,0,0]=4 6266 B10R0.32 CCOC(C)C(=O)NC(C)C 1626a_100138425928_100000739345 [1,1,0,0,0,0|2,0,0]=4 6267 B10R0.32 CCOC(C)C(=O)NC(C)C 240690a_100138425928_100000739345 [1,1,0,0,0,0|2,0,0]=4 6268 B10R0.32 CCOC(C)C(=O)NC(C)C 34a_100121572206_100000195394 [1,1,0,0,0,0|2,0,0]=4 6269 B10R0.32 CCOC(C)C(=O)NC(C)C 527a_100138425928_100000739345 [1,1,0,0,0,0|2,0,0]=4 6270 B10R0.32 CCO[C@H](C)C(=O)OC(C)C 34a_100015307928_100000210202 [1,1,0,0,0,0|2,0,0]=4 6271 B10R0.32 CCO[C@H](C)C(=O)OC(C)C 7a_100015307928_100000210202 [1,1,0,0,0,0|2,0,0]=4 6272 B10R0.32 CCSC(C)C(=O)CC(C)C 1458a_100000230601_100000210624 [1,1,0,0,0,0|1,0,0]=3 6273 B10R0.32 CCSC(C)C(=O)CC(C)O 1458a_100000230601_100011218427 [1,1,0,0,0,0|2,0,0]=4 6274 B10R0.32 CCSC(C)C(=O)NC(C)C 11a_100138425928_100000230601 [1,1,0,0,0,0|2,0,0]=4 6275 B10R0.32 CCSC(C)C(=O)NC(C)C 1626a_100138425928_100000230601 [1,1,0,0,0,0|2,0,0]=4 6276 B10R0.32 CCSC(C)C(=O)NC(C)C 240690a_100138425928_100000230601 [1,1,0,0,0,0|2,0,0]=4 6277 B10R0.32 CCSC(C)C(=O)NC(C)C 527a_100138425928_100000230601 [1,1,0,0,0,0|2,0,0]=4 6278 B10R0.32 CCSC(C)C(=O)NC(C)C 62a_100000195394_100000210202 [1,1,0,0,0,0|2,0,0]=4 6279 B10R0.32 CCSC(C)C(=O)NC(C)C 62a_100000210202_100000195394 [1,1,0,0,0,0|2,0,0]=4 6280 B10R0.32 COCC(C)C(=O)CC(C)C 1458a_100000210554_100000765312 [1,1,0,0,0,0|1,0,0]=3 6281 B10R0.32 COCC(C)C(=O)CC(C)C 1458a_100000751857_100000210624 [1,1,0,0,0,0|1,0,0]=3 6282 B10R0.32 COCC(C)C(=O)CC(C)O 1458a_100000751857_100011218427 [1,1,0,0,0,0|2,0,0]=4 6283 B10R0.32 COCC(C)C(=O)CN(C)C 1458a_100000750896_100000765312 [1,1,0,0,0,0|2,0,0]=4 6284 B10R0.32 COCC(C)C(=O)C[C@@H](C)O 1458a_100011933948_100000765312 [1,1,0,0,0,0|2,0,0]=4 6285 B10R0.32 COCC(C)C(=O)C[S+](C)C 1458a_200159257847_100000765312 [1,1,0,0,0,0|2,0,0]=4 6286 B10R0.32 COCC(C)C(=O)NC(C)C 11a_100138425928_100000751857 [1,1,0,0,0,0|2,0,0]=4 6287 B10R0.32 COCC(C)C(=O)NC(C)C 1626a_100138425928_100000751857 [1,1,0,0,0,0|2,0,0]=4 6288 B10R0.32 COCC(C)C(=O)NC(C)C 240690a_100138425928_100000751857 [1,1,0,0,0,0|2,0,0]=4 6289 B10R0.32 COCC(C)C(=O)NC(C)C 527a_100138425928_100000751857 [1,1,0,0,0,0|2,0,0]=4 6290 B10R0.32 COC[C@H](N)C(=O)OC(C)C 34a_100121572844_200000210301 [1,1,0,0,0,0|2,0,0]=4 6291 B10R0.32 CSCC(C)C(=O)CC(C)C 1458a_100000753918_100000210624 [1,1,0,0,0,0|1,0,0]=3 6292 B10R0.32 CSCC(C)C(=O)CC(C)O 1458a_100000753918_100011218427 [1,1,0,0,0,0|2,0,0]=4 6293 B10R0.32 CSCC(C)C(=O)NC(C)C 11a_100138425928_100000753918 [1,1,0,0,0,0|2,0,0]=4 6294 B10R0.32 CSCC(C)C(=O)NC(C)C 1626a_100138425928_100000753918 [1,1,0,0,0,0|2,0,0]=4 6295 B10R0.32 CSCC(C)C(=O)NC(C)C 240690a_100138425928_100000753918 [1,1,0,0,0,0|2,0,0]=4 6296 B10R0.32 CSCC(C)C(=O)NC(C)C 527a_100138425928_100000753918 [1,1,0,0,0,0|2,0,0]=4 6297 B10R0.44 C=C(C)CC(=O)CC(C)CC 1458a_100000708755_100000748629 [1,1,0,0,0,0|0,0,2]=4 6298 B10R0.44 C=C(C)CC(=O)CC(O)CC 1458a_100011667805_100000748629 [1,1,0,0,0,0|0,0,2]=4 6299 B10R0.44 C=CC(C)CC(=O)CC(C)C 1458a_100011934298_100000210624 [1,1,0,0,0,0|0,0,2]=4 6300 B10R0.44 CC(C)CC(=O)C[C@@H](C)CO 1458a_100000210554_100000059175 [1,1,0,0,0,0|1,0,0]=3 6301 B10R0.44 CC(C)CC(=O)N[C@H](C)CF 11a_100102880703_100000210554 [1,1,0,0,0,0|2,0,0]=4 6302 B10R0.44 CC(C)CC(=O)N[C@H](C)CF 1626a_100102880703_100000210554 [1,1,0,0,0,0|2,0,0]=4 6303 B10R0.44 CC(C)CC(=O)N[C@H](C)CF 240690a_100102880703_100000210554 [1,1,0,0,0,0|2,0,0]=4 6304 B10R0.44 CC(C)CC(=O)N[C@H](C)CF 527a_100102880703_100000210554 [1,1,0,0,0,0|2,0,0]=4 6305 B10R0.44 CC(C)CC(=O)N[C@H](C)CO 240690a_100000737577_100000210554 [1,1,0,0,0,0|2,0,0]=4 6306 B10R0.44 CC(C)CC(=O)N[C@H](C)CO 527a_100000737577_100000210554 [1,1,0,0,0,0|2,0,0]=4 6307 B10R0.44 CC(C)OC(=O)OC(C)S[13CH3] 62a_100000067433_200025704644 [1,1,0,0,0,0|2,0,0]=4 6308 B10R0.44 CC(C)OC(=O)OC(C)S[13CH3] 62a_200025704644_100000067433 [1,1,0,0,0,0|2,0,0]=4 6309 B10R0.44 CCC(=CC(=O)CC(C)C)C 1458a_100020758463_100000210624 [1,1,0,0,0,0|0,0,2]=4 6310 B10R0.44 CCC(=O)CC(=O)CC(C)C 1458a_100000210554_100000747405 [1,1,0,0,0,0|0,0,1]=3 6311 B10R0.44 CCC(=O)CC(=O)CN(C)C 1458a_100000750896_100000747405 [1,1,0,0,0,0|1,0,1]=4 6312 B10R0.44 CCC(=O)CC(=O)C[C@@H](C)O 1458a_100011933948_100000747405 [1,1,0,0,0,0|1,0,1]=4 6313 B10R0.44 CCC(=O)CC(=O)C[S+](C)C 1458a_200159257847_100000747405 [1,1,0,0,0,0|1,0,1]=4 6314 B10R0.44 CCC(=O)CC(=O)NC(C)C 1458a_100000210414_100000183996 [1,1,0,0,0,0|1,0,1]=4 6315 B10R0.44 CCC(=O)CC(=O)OC(C)C 1458a_100000210414_100011215430 [1,1,0,0,0,0|1,0,1]=4 6316 B10R0.44 CCC(C)CC(=O)C=C(C)C 1458a_100000211388_100000748023 [1,1,0,0,0,0|0,0,2]=4 6317 B10R0.44 CCC(C)CC(=O)CC(C)C 1458a_100000210554_100000748023 [1,1,0,0,0,0|0,0,0]=2 6318 B10R0.44 CCC(C)CC(=O)CC(C)C 1458a_100000708755_100000210624 [1,1,0,0,0,0|0,0,0]=2 6319 B10R0.44 CCC(C)CC(=O)CC(C)O 1458a_100000708755_100011218427 [1,1,0,0,0,0|1,0,0]=3 6320 B10R0.44 CCC(C)CC(=O)CC(F)F 1458a_100000708755_100011934356 [1,1,0,0,0,0|2,0,0]=4 6321 B10R0.44 CCC(C)CC(=O)CN(C)C 1458a_100000750896_100000748023 [1,1,0,0,0,0|1,0,0]=3 6322 B10R0.44 CCC(C)CC(=O)C[C@@H](C)O 1458a_100011933948_100000748023 [1,1,0,0,0,0|1,0,0]=3 6323 B10R0.44 CCC(C)CC(=O)C[S+](C)C 1458a_200159257847_100000748023 [1,1,0,0,0,0|1,0,0]=3 6324 B10R0.44 CCC(C)CC(=O)NC(C)C 11a_100138425928_100000708755 [1,1,0,0,0,0|1,0,0]=3 6325 B10R0.44 CCC(C)CC(=O)NC(C)C 1626a_100138425928_100000708755 [1,1,0,0,0,0|1,0,0]=3 6326 B10R0.44 CCC(C)CC(=O)NC(C)C 240690a_100138425928_100000708755 [1,1,0,0,0,0|1,0,0]=3 6327 B10R0.44 CCC(C)CC(=O)NC(C)C 527a_100138425928_100000708755 [1,1,0,0,0,0|1,0,0]=3 6328 B10R0.44 CCC(C)CN(C)CC(C)C 2230a_100000747067_100000748023 [1,1,0,0,0,0|2,0,0]=4 6329 B10R0.44 CCC(C)CN(C)CC(C)C 2230a_100000753921_100000210760 [1,1,0,0,0,0|2,0,0]=4 6330 B10R0.44 CCC(C)CN(C)CC(C)C 269982a_100000747067_100000748023 [1,1,0,0,0,0|2,0,0]=4 6331 B10R0.44 CCC(C)CN(C)CC(C)C 269982a_100000753921_100000210624 [1,1,0,0,0,0|2,0,0]=4 6332 B10R0.44 CCC(C)CN(C)CC(C)C 270004a_100000747067_100000243153 [1,1,0,0,0,0|2,0,0]=4 6333 B10R0.44 CCC(C)CN(C)CC(C)C 270004a_100000753921_100000210432 [1,1,0,0,0,0|2,0,0]=4 6334 B10R0.44 CCC(C)NC(=O)CC(C)C 11a_100000209981_100000210554 [1,1,0,0,0,0|1,0,0]=3 6335 B10R0.44 CCC(C)NC(=O)CC(C)C 1626a_100000209981_100000210554 [1,1,0,0,0,0|1,0,0]=3 6336 B10R0.44 CCC(C)NC(=O)CC(C)C 240690a_100000209981_100000210554 [1,1,0,0,0,0|1,0,0]=3 6337 B10R0.44 CCC(C)NC(=O)CC(C)C 527a_100000209981_100000210554 [1,1,0,0,0,0|1,0,0]=3 6338 B10R0.44 CCC(C)NC(=O)CN(C)C 11a_100000209981_100000750896 [1,1,0,0,0,0|2,0,0]=4 6339 B10R0.44 CCC(C)NC(=O)CN(C)C 2230a_100102631434_100000182745 [1,1,0,0,0,0|2,0,0]=4 6340 B10R0.44 CCC(C)NC(=O)CN(C)C 240690a_100000209981_100000750896 [1,1,0,0,0,0|2,0,0]=4 6341 B10R0.44 CCC(C)NC(=O)CN(C)C 269982a_100102631434_100000182745 [1,1,0,0,0,0|2,0,0]=4 6342 B10R0.44 CCC(C)NC(=O)CN(C)C 527a_100000209981_100000750896 [1,1,0,0,0,0|2,0,0]=4 6343 B10R0.44 CCC(C)NC(=O)C[C@@H](C)O 240690a_100000209981_100011933948 [1,1,0,0,0,0|2,0,0]=4 6344 B10R0.44 CCC(C)NC(=O)C[S+](C)C 11a_100000209981_200159257847 [1,1,0,0,0,0|2,0,0]=4 6345 B10R0.44 CCC(C)NC(=O)C[S+](C)C 1626a_100000209981_200159257847 [1,1,0,0,0,0|2,0,0]=4 6346 B10R0.44 CCC(C)NC(=O)C[S+](C)C 240690a_100000209981_200159257847 [1,1,0,0,0,0|2,0,0]=4 6347 B10R0.44 CCC(C)NC(=O)C[S+](C)C 527a_100000209981_200159257847 [1,1,0,0,0,0|2,0,0]=4 6348 B10R0.44 CCC(C)NC(=O)NC(C)C 2708a_100000209981_100138425928 [1,1,0,0,0,0|2,0,0]=4 6349 B10R0.44 CCC(C)NC(=O)NC(C)C 2708a_100138425928_100000209981 [1,1,0,0,0,0|2,0,0]=4 6350 B10R0.44 CCC(C)NC(=O)NC(C)C 273464a_100138425928_100000209981 [1,1,0,0,0,0|2,0,0]=4 6351 B10R0.44 CCC(C)NC(=O)NC(C)C 512a_100000209981_100138425928 [1,1,0,0,0,0|2,0,0]=4 6352 B10R0.44 CCC(C)NC(=O)NC(C)C 512a_100138425928_100000209981 [1,1,0,0,0,0|2,0,0]=4 6353 B10R0.44 CCC(C)OC(C)CC(C)C 34a_100000211805_100011215416 [1,1,0,0,0,0|1,0,1]=4 6354 B10R0.44 CCC(C)OC(C)CC(C)C 7a_100000210228_100000731052 [1,1,0,0,0,0|1,0,1]=4 6355 B10R0.44 CCC(C)OC(C)CC(C)C 7a_100000211805_100000758301 [1,1,0,0,0,0|1,0,1]=4 6356 B10R0.44 CCC(O)CC(=O)C=C(C)C 1458a_100000211388_100011218378 [1,1,0,0,0,0|0,0,2]=4 6357 B10R0.44 CCC(O)CC(=O)CC(C)C 1458a_100000210554_100011218378 [1,1,0,0,0,0|0,0,0]=2 6358 B10R0.44 CCC(O)CC(=O)CC(C)C 1458a_100011667805_100000210624 [1,1,0,0,0,0|0,0,0]=2 6359 B10R0.44 CCC(O)CC(=O)CC(C)O 1458a_100011667805_100011218427 [1,1,0,0,0,0|1,0,0]=3 6360 B10R0.44 CCC(O)CC(=O)CC(F)F 1458a_100011667805_100011934356 [1,1,0,0,0,0|2,0,0]=4 6361 B10R0.44 CCC(O)CC(=O)CN(C)C 1458a_100000750896_100011218378 [1,1,0,0,0,0|1,0,0]=3 6362 B10R0.44 CCC(O)CC(=O)C[C@@H](C)O 1458a_100011933948_100011218378 [1,1,0,0,0,0|1,0,0]=3 6363 B10R0.44 CCC(O)CC(=O)C[S+](C)C 1458a_200159257847_100011218378 [1,1,0,0,0,0|1,0,0]=3 6364 B10R0.44 CCC(O)CC(=O)NC(C)C 1626a_100138425928_100011667805 [1,1,0,0,0,0|1,0,0]=3 6365 B10R0.44 CCC(O)CC(=O)NC(C)C 240690a_100138425928_100011667805 [1,1,0,0,0,0|1,0,0]=3 6366 B10R0.44 CCC(O)CN(C)CC(C)C 2230a_100000747067_100011218378 [1,1,0,0,0,0|2,0,0]=4 6367 B10R0.44 CCC(O)CN(C)CC(C)C 269982a_100000747067_100011218378 [1,1,0,0,0,0|2,0,0]=4 6368 B10R0.44 CCN(C)CC(=O)CC(C)C 1458a_100116209913_100000210624 [1,1,0,0,0,0|1,0,0]=3 6369 B10R0.44 CCN(C)CC(=O)CC(C)O 1458a_100116209913_100011218427 [1,1,0,0,0,0|2,0,0]=4 6370 B10R0.44 CCN(C)CC(=O)NC(C)C 2230a_100000168146_100000210202 [1,1,0,0,0,0|2,0,0]=4 6371 B10R0.44 CCN(C)CC(=O)NC(C)C 2230a_100000225621_100000183996 [1,1,0,0,0,0|2,0,0]=4 6372 B10R0.44 CCN(C)CC(=O)NC(C)C 240690a_100138425928_100116209913 [1,1,0,0,0,0|2,0,0]=4 6373 B10R0.44 CCN(C)CC(=O)NC(C)C 269982a_100000168146_100000204670 [1,1,0,0,0,0|2,0,0]=4 6374 B10R0.44 CCN(C)CC(=O)NC(C)C 269982a_100000225621_100000183996 [1,1,0,0,0,0|2,0,0]=4 6375 B10R0.44 CCN(C)CC(=O)NC(C)C 527a_100138425928_100116209913 [1,1,0,0,0,0|2,0,0]=4 6376 B10R0.44 CCN(C)CC(=O)OC(C)C 2230a_100000225621_100011215430 [1,1,0,0,0,0|2,0,0]=4 6377 B10R0.44 CCN(C)CC(=O)OC(C)C 269982a_100000225621_100011215430 [1,1,0,0,0,0|2,0,0]=4 6378 B10R0.44 CC[C@H](C)CC(=O)C=C(C)C 1458a_100000211388_100009816398 [1,1,0,0,0,0|0,0,2]=4 6379 B10R0.44 CC[C@H](C)CC(=O)CC(C)C 1458a_100000210554_100009816398 [1,1,0,0,0,0|0,0,0]=2 6380 B10R0.44 CC[C@H](C)CC(=O)CN(C)C 1458a_100000750896_100009816398 [1,1,0,0,0,0|1,0,0]=3 6381 B10R0.44 CC[C@H](C)CC(=O)C[C@@H](C)O 1458a_100011933948_100009816398 [1,1,0,0,0,0|1,0,0]=3 6382 B10R0.44 CC[C@H](C)CC(=O)C[S+](C)C 1458a_200159257847_100009816398 [1,1,0,0,0,0|1,0,0]=3 6383 B10R0.44 CC[C@H](C)CN(C)CC(C)C 2230a_100000747067_100009816398 [1,1,0,0,0,0|2,0,0]=4 6384 B10R0.44 CC[C@H](C)CN(C)CC(C)C 269982a_100000747067_100009816398 [1,1,0,0,0,0|2,0,0]=4 6385 B10R0.44 CNC(=O)CC(=O)CC(C)C 1458a_100000210554_100000183359 [1,1,0,0,0,0|1,0,1]=4 6386 B10R0.44 CNC(C)OC(=O)OC(C)C 7a_106832991635_100000067433 [1,1,0,0,0,0|2,0,0]=4 6387 B10R0.44 COC(=O)CC(=O)CC(C)C 1458a_100000210554_100000747449 [1,1,0,0,0,0|1,0,1]=4 6388 B10R0.44 COC(=O)CC(=O)CC(C)C 1458a_100000211351_100000210624 [1,1,0,0,0,0|1,0,1]=4 6389 B10R0.44 CSC(C)OC(=O)OC(C)C 62a_100000067433_200000210301 [1,1,0,0,0,0|2,0,0]=4 6390 B10R0.44 CSC(C)OC(=O)OC(C)C 62a_200000210301_100000067433 [1,1,0,0,0,0|2,0,0]=4 6391 B10R0.44 C[C@@H](CO)CC(=O)CN(C)C 1458a_100000750896_100000059175 [1,1,0,0,0,0|2,0,0]=4 6392 B10R0.44 C[C@@H](CO)CC(=O)C[C@@H](C)O 1458a_100011933948_100000059175 [1,1,0,0,0,0|2,0,0]=4 6393 B10R0.44 C[C@@H](CO)CC(=O)C[S+](C)C 1458a_200159257847_100000059175 [1,1,0,0,0,0|2,0,0]=4 6394 B10R0.81 C#CCCC(=O)C(C)C(C)C 1458a_100000755409_100000753159 [1,1,0,0,0,0|0,0,2]=4 6395 B10R0.81 C#CCCC(=O)[C@H](O)C(C)C 1458a_100000691806_100000753159 [1,1,0,0,0,0|0,0,2]=4 6396 B10R0.81 C/C=C/CC(=O)C(C)C(C)C 1458a_100000755409_100102629194 [1,1,0,0,0,0|0,0,2]=4 6397 B10R0.81 C/C=C/CC(=O)[C@H](O)C(C)C 1458a_100000691806_100102629194 [1,1,0,0,0,0|0,0,2]=4 6398 B10R0.81 C=CCCC(=O)C(C)C(C)C 1458a_100000755409_100000754431 [1,1,0,0,0,0|0,0,2]=4 6399 B10R0.81 C=CCCC(=O)[C@H](O)C(C)C 1458a_100000691806_100000754431 [1,1,0,0,0,0|0,0,2]=4 6400 B10R0.81 CC#CCC(=O)C(C)C(C)C 1458a_100000755409_100000748600 [1,1,0,0,0,0|0,0,2]=4 6401 B10R0.81 CC#CCC(=O)[C@H](O)C(C)C 1458a_100000691806_100000748600 [1,1,0,0,0,0|0,0,2]=4 6402 B10R0.81 CC(C)C(C)C(=O)CCC#N 1458a_100000755409_100011215226 [1,1,0,0,0,0|1,0,1]=4 6403 B10R0.81 CC(C)C(C)C(=O)CCCF 1458a_100000755409_100011934791 [1,1,0,0,0,0|1,0,0]=3 6404 B10R0.81 CC(C)C(C)C(=O)CCCO 1458a_100000755409_100011215043 [1,1,0,0,0,0|1,0,0]=3 6405 B10R0.81 CC(C)C(C)C(=O)NCCF 11a_100000724931_100000755409 [1,1,0,0,0,0|2,0,0]=4 6406 B10R0.81 CC(C)C(C)C(=O)NCCF 1626a_100000724931_100000755409 [1,1,0,0,0,0|2,0,0]=4 6407 B10R0.81 CC(C)C(C)C(=O)NCCF 240690a_100000724931_100000755409 [1,1,0,0,0,0|2,0,0]=4 6408 B10R0.81 CC(C)C(C)C(=O)NCCF 527a_100000724931_100000755409 [1,1,0,0,0,0|2,0,0]=4 6409 B10R0.81 CC(C)C(C)C(=O)NCCO 240690a_100000210304_100000755409 [1,1,0,0,0,0|2,0,0]=4 6410 B10R0.81 CC(C)C(C)C(=O)NCCO 527a_100000210304_100000755409 [1,1,0,0,0,0|2,0,0]=4 6411 B10R0.81 CC(C)[C@@H](O)C(=O)CCC#N 1458a_100000691806_100011215226 [1,1,0,0,0,0|1,0,1]=4 6412 B10R0.81 CC(C)[C@@H](O)C(=O)CCCF 1458a_100000691806_100011934791 [1,1,0,0,0,0|1,0,0]=3 6413 B10R0.81 CC(C)[C@@H](O)C(=O)CCCO 1458a_100000691806_100011215043 [1,1,0,0,0,0|1,0,0]=3 6414 B10R0.81 CC(C)[C@@H](O)C(=O)NCCF 240690a_100000724931_100000691806 [1,1,0,0,0,0|2,0,0]=4 6415 B10R0.81 CC(C)[C@@H](O)C(=O)NCCO 240690a_100000210304_100000691806 [1,1,0,0,0,0|2,0,0]=4 6416 B10R0.81 CC=CCC(=O)C(C)C(C)C 1458a_100000755409_100000070051 [1,1,0,0,0,0|0,0,2]=4 6417 B10R0.81 CC=CCC(=O)[C@H](O)C(C)C 1458a_100000691806_100000070051 [1,1,0,0,0,0|0,0,2]=4 6418 B10R0.81 CCCCC(=O)C(=O)N(C)C 1458a_100011218876_100000210211 [1,1,0,0,0,0|1,0,1]=4 6419 B10R0.81 CCCCC(=O)C(C)C(=O)C 1458a_100000210183_100000179758 [1,1,0,0,0,0|1,0,1]=4 6420 B10R0.81 CCCCC(=O)C(C)C(C)C 1458a_100000755409_100000210211 [1,1,0,0,0,0|0,0,0]=2 6421 B10R0.81 CCCCC(=O)N(C)C(C)C 11a_200000211004_100000210183 [1,1,0,0,0,0|1,0,0]=3 6422 B10R0.81 CCCCC(=O)N(C)C(C)C 1626a_200000211004_100000210183 [1,1,0,0,0,0|1,0,0]=3 6423 B10R0.81 CCCCC(=O)N(C)C(C)C 240690a_200000211004_100000210183 [1,1,0,0,0,0|1,0,0]=3 6424 B10R0.81 CCCCC(=O)N(C)C(C)C 527a_200000211004_100000210183 [1,1,0,0,0,0|1,0,0]=3 6425 B10R0.81 CCCCC(=O)[C@H](C)N(C)C 1458a_100009822176_100000210211 [1,1,0,0,0,0|1,0,0]=3 6426 B10R0.81 CCCCC(=O)[C@H](O)C(C)C 1458a_100000691806_100000210211 [1,1,0,0,0,0|0,0,0]=2 6427 B10R0.81 CCCCN(C)C(C)C(C)C 2230a_100000228512_100000210211 [1,1,0,0,0,0|2,0,0]=4 6428 B10R0.81 CCCCN(C)C(C)C(C)C 269982a_100000228512_100000210211 [1,1,0,0,0,0|2,0,0]=4 6429 B10R0.81 CCCNC(=O)C(=O)C(C)C 1458a_200011297150_100000210206 [1,1,0,0,0,0|1,0,1]=4 6430 B10R0.81 CCCNC(=O)C(C)C(C)C 11a_100020643023_100000755409 [1,1,0,0,0,0|1,0,0]=3 6431 B10R0.81 CCCNC(=O)C(C)C(C)C 1626a_100020643023_100000755409 [1,1,0,0,0,0|1,0,0]=3 6432 B10R0.81 CCCNC(=O)C(C)C(C)C 240690a_100020643023_100000755409 [1,1,0,0,0,0|1,0,0]=3 6433 B10R0.81 CCCNC(=O)C(C)C(C)C 527a_100020643023_100000755409 [1,1,0,0,0,0|1,0,0]=3 6434 B10R0.81 CCCNC(=O)C(C)N(C)C 2230a_100102631434_100000230305 [1,1,0,0,0,0|2,0,0]=4 6435 B10R0.81 CCCNC(=O)C(C)N(C)C 269982a_100102631434_100000230305 [1,1,0,0,0,0|2,0,0]=4 6436 B10R0.81 CCCNC(=O)N(C)C(C)C 2708a_100020643023_200000211004 [1,1,0,0,0,0|2,0,0]=4 6437 B10R0.81 CCCNC(=O)N(C)C(C)C 273464a_100020643023_200000211004 [1,1,0,0,0,0|2,0,0]=4 6438 B10R0.81 CCCNC(=O)[C@H](C)N(C)C 240690a_100020643023_100009822176 [1,1,0,0,0,0|2,0,0]=4 6439 B10R0.81 CCCNC(=O)[C@H](C)N(C)C 527a_100020643023_100009822176 [1,1,0,0,0,0|2,0,0]=4 6440 B10R0.81 CCCNC(=O)[C@H](O)C(C)C 240690a_100020643023_100000691806 [1,1,0,0,0,0|1,0,0]=3 6441 B10R0.81 CCCOC(=O)C(C)C(=O)C 1458a_100000070787_100000760410 [1,1,0,0,0,0|1,0,1]=4 6442 B10R0.81 CCCOC(=O)C(C)N(C)C 2230a_100102631434_100000760410 [1,1,0,0,0,0|1,0,0]=3 6443 B10R0.81 CCCOC(=O)C(C)N(C)C 269982a_100102631434_100000760410 [1,1,0,0,0,0|1,0,0]=3 6444 B10R0.81 CCNCC(=O)N(C)C(C)C 2230a_100015525214_100000230190 [1,1,0,0,0,0|2,0,0]=4 6445 B10R0.81 CCNNC(=O)C(C)C(C)C 22a_100000756455_100000755409 [1,1,0,0,0,0|2,0,0]=4 6446 B10R0.81 CCNNC(=O)[C@H](O)C(C)C 22a_100000756455_100000691806 [1,1,0,0,0,0|2,0,0]=4 6447 B10R0.81 CCOCC(=O)N(C)C(C)C 11a_200000211004_100000211967 [1,1,0,0,0,0|2,0,0]=4 6448 B10R0.81 CCOCC(=O)N(C)C(C)C 1626a_200000211004_100000211967 [1,1,0,0,0,0|2,0,0]=4 6449 B10R0.81 CCOCC(=O)N(C)C(C)C 240690a_200000211004_100000211967 [1,1,0,0,0,0|2,0,0]=4 6450 B10R0.81 CCOCC(=O)N(C)C(C)C 34a_100121572206_100000230190 [1,1,0,0,0,0|2,0,0]=4 6451 B10R0.81 CCOCC(=O)N(C)C(C)C 527a_200000211004_100000211967 [1,1,0,0,0,0|2,0,0]=4 6452 B10R0.81 CCSCC(=O)N(C)C(C)C 11a_200000211004_100000230394 [1,1,0,0,0,0|2,0,0]=4 6453 B10R0.81 CCSCC(=O)N(C)C(C)C 1626a_200000211004_100000230394 [1,1,0,0,0,0|2,0,0]=4 6454 B10R0.81 CCSCC(=O)N(C)C(C)C 240690a_200000211004_100000230394 [1,1,0,0,0,0|2,0,0]=4 6455 B10R0.81 CCSCC(=O)N(C)C(C)C 527a_200000211004_100000230394 [1,1,0,0,0,0|2,0,0]=4 6456 B10R0.81 CCSCC(=O)N(C)C(C)C 62a_100000210202_100000230190 [1,1,0,0,0,0|2,0,0]=4 6457 B10R0.81 CCSCC(=O)N(C)C(C)C 62a_100000230190_100000210202 [1,1,0,0,0,0|2,0,0]=4 6458 B10R0.81 COCCC(=O)C(C)C(C)C 1458a_100000755409_100000233755 [1,1,0,0,0,0|1,0,0]=3 6459 B10R0.81 COCCC(=O)N(C)C(C)C 11a_200000211004_100000749529 [1,1,0,0,0,0|2,0,0]=4 6460 B10R0.81 COCCC(=O)N(C)C(C)C 1626a_200000211004_100000749529 [1,1,0,0,0,0|2,0,0]=4 6461 B10R0.81 COCCC(=O)N(C)C(C)C 240690a_200000211004_100000749529 [1,1,0,0,0,0|2,0,0]=4 6462 B10R0.81 COCCC(=O)N(C)C(C)C 527a_200000211004_100000749529 [1,1,0,0,0,0|2,0,0]=4 6463 B10R0.81 COCCC(=O)[C@H](C)N(C)C 1458a_100009822176_100000233755 [1,1,0,0,0,0|2,0,0]=4 6464 B10R0.81 COCCC(=O)[C@H](O)C(C)C 1458a_100000691806_100000233755 [1,1,0,0,0,0|1,0,0]=3 6465 B10R0.81 CSCCC(=O)C(C)C(C)C 1458a_100000755409_100000751147 [1,1,0,0,0,0|1,0,0]=3 6466 B10R0.81 CSCCC(=O)N(C)C(C)C 11a_200000211004_100000174002 [1,1,0,0,0,0|2,0,0]=4 6467 B10R0.81 CSCCC(=O)N(C)C(C)C 1626a_200000211004_100000174002 [1,1,0,0,0,0|2,0,0]=4 6468 B10R0.81 CSCCC(=O)N(C)C(C)C 240690a_200000211004_100000174002 [1,1,0,0,0,0|2,0,0]=4 6469 B10R0.81 CSCCC(=O)N(C)C(C)C 527a_200000211004_100000174002 [1,1,0,0,0,0|2,0,0]=4 6470 B10R0.81 CSCCC(=O)[C@H](C)N(C)C 1458a_100009822176_100000751147 [1,1,0,0,0,0|2,0,0]=4 6471 B10R0.81 CSCCC(=O)[C@H](O)C(C)C 1458a_100000691806_100000751147 [1,1,0,0,0,0|1,0,0]=3 6472 B10R0.81 C[C@@H](C(=O)CCCF)N(C)C 1458a_100009822176_100011934791 [1,1,0,0,0,0|2,0,0]=4 6473 B10R0.81 C[C@@H](C(=O)CCCO)N(C)C 1458a_100009822176_100011215043 [1,1,0,0,0,0|2,0,0]=4 6474 B10R0.87 C#CC(CC(C)C)OCCC 34a_100011215986_100000210303 [1,1,0,0,0,0|1,0,1]=4 6475 B10R0.87 C#CC(CC(C)C)OCCC 7a_100011215986_100000210303 [1,1,0,0,0,0|1,0,1]=4 6476 B10R0.87 C=CC(CC(C)C)OCCC 34a_100012186643_100000210303 [1,1,0,0,0,0|1,0,1]=4 6477 B10R0.87 C=CC(CC(C)C)OCCC 7a_100012186643_100000210303 [1,1,0,0,0,0|1,0,1]=4 6478 B10R0.87 CCCCN(CC)CC(C)C 2230a_100000207695_100000210760 [1,1,0,0,0,0|2,0,0]=4 6479 B10R0.87 CCCCN(CC)CC(C)C 2230a_100000738554_100000210211 [1,1,0,0,0,0|2,0,0]=4 6480 B10R0.87 CCCCN(CC)CC(C)C 269982a_100000207695_100000210624 [1,1,0,0,0,0|2,0,0]=4 6481 B10R0.87 CCCCN(CC)CC(C)C 269982a_100000738554_100000210211 [1,1,0,0,0,0|2,0,0]=4 6482 B10R0.87 CCCCN(CC)CC(C)C 270004a_100000207695_100000210432 [1,1,0,0,0,0|2,0,0]=4 6483 B10R0.87 CCCOC(C#N)CC(C)C 34a_200011294978_100000210303 [1,1,0,0,0,0|1,0,1]=4 6484 B10R0.87 CCCOC(C#N)CC(C)C 7a_200011294978_100000210303 [1,1,0,0,0,0|1,0,1]=4 6485 B10R0.96 C=C(C)CC(=O)CCC(C)C 1458a_100000181311_100000748629 [1,1,0,0,0,0|0,0,2]=4 6486 B10R0.96 C=C(C)CCC(=O)CC(C)C 1458a_100000210554_100000730704 [1,1,0,0,0,0|0,0,1]=3 6487 B10R0.96 C=C(C)CCC(=O)CC(C)C 1458a_200000688413_100000210624 [1,1,0,0,0,0|0,0,1]=3 6488 B10R0.96 C=C(C)CCC(=O)CC(C)O 1458a_200000688413_100011218427 [1,1,0,0,0,0|1,0,1]=4 6489 B10R0.96 C=C(C)CCC(=O)CN(C)C 1458a_100000750896_100000730704 [1,1,0,0,0,0|1,0,1]=4 6490 B10R0.96 C=C(C)CCC(=O)C[C@@H](C)O 1458a_100011933948_100000730704 [1,1,0,0,0,0|1,0,1]=4 6491 B10R0.96 C=C(C)CCC(=O)C[S+](C)C 1458a_200159257847_100000730704 [1,1,0,0,0,0|1,0,1]=4 6492 B10R0.96 C=C(C)CCC(=O)NC(C)C 11a_100138425928_200000688413 [1,1,0,0,0,0|1,0,1]=4 6493 B10R0.96 C=C(C)CCC(=O)NC(C)C 1626a_100138425928_200000688413 [1,1,0,0,0,0|1,0,1]=4 6494 B10R0.96 C=C(C)CCC(=O)NC(C)C 240690a_100138425928_200000688413 [1,1,0,0,0,0|1,0,1]=4 6495 B10R0.96 C=C(C)CCC(=O)NC(C)C 527a_100138425928_200000688413 [1,1,0,0,0,0|1,0,1]=4 6496 B10R0.96 C=C(C)CNC(=O)CC(C)C 11a_100000765925_100000210554 [1,1,0,0,0,0|1,0,1]=4 6497 B10R0.96 C=C(C)CNC(=O)CC(C)C 1626a_100000765925_100000210554 [1,1,0,0,0,0|1,0,1]=4 6498 B10R0.96 C=C(C)CNC(=O)CC(C)C 240690a_100000765925_100000210554 [1,1,0,0,0,0|1,0,1]=4 6499 B10R0.96 C=C(C)CNC(=O)CC(C)C 527a_100000765925_100000210554 [1,1,0,0,0,0|1,0,1]=4 6500 B10R0.96 CC(=CC(=O)CCC(C)C)C 1458a_100000211388_100000210312 [1,1,0,0,0,0|0,0,2]=4 6501 B10R0.96 CC(=CC(=O)CCC(C)O)C 1458a_100000211388_100012276601 [1,1,0,0,0,0|0,0,2]=4 6502 B10R0.96 CC(=CCC(=O)CC(C)C)C 1458a_100000210554_100000761012 [1,1,0,0,0,0|0,0,2]=4 6503 B10R0.96 CC(=CCC(=O)CC(C)C)C 1458a_100011220947_100000210624 [1,1,0,0,0,0|0,0,2]=4 6504 B10R0.96 CC(=O)CCC(=O)NC(C)C 1458a_100000070787_100000737564 [1,1,0,0,0,0|1,0,1]=4 6505 B10R0.96 CC(=O)CCC(=O)OC(C)C 1458a_100000070787_100000760027 [1,1,0,0,0,0|1,0,1]=4 6506 B10R0.96 CC(=O)CNC(=O)CC(C)C 1458a_100000194594_200000210301 [1,1,0,0,0,0|1,0,1]=4 6507 B10R0.96 CC(=O)COC(=O)OC(C)C 1458a_100000070787_100000003507 [1,1,0,0,0,0|1,0,1]=4 6508 B10R0.96 CC(=O)NCC(=O)CC(C)C 1458a_100000194580_100000210624 [1,1,0,0,0,0|1,0,1]=4 6509 B10R0.96 CC(=O)OCC(=O)CC(C)C 1458a_100000183556_100000210624 [1,1,0,0,0,0|1,0,1]=4 6510 B10R0.96 CC(=O)SCC(=O)CC(C)C 1458a_100000049016_100000210624 [1,1,0,0,0,0|1,0,1]=4 6511 B10R0.96 CC(C)C=CC(=O)CC(C)C 1458a_100016268746_100000210624 [1,1,0,0,0,0|0,0,2]=4 6512 B10R0.96 CC(C)CC(=O)CCC(=O)N 1458a_100011215257_100000210624 [1,1,0,0,0,0|1,0,1]=4 6513 B10R0.96 CC(C)CC(=O)CCC(C)O 1458a_100000210554_100012276601 [1,1,0,0,0,0|0,0,0]=2 6514 B10R0.96 CC(C)CC(=O)CC[N+](=O)[O-] 1458a_200000064761_100000210624 [1,1,0,0,0,0|2,0,0]=4 6515 B10R0.96 CC(C)CC(=O)CC[S+](C)C 1458a_100009452791_100000210624 [1,1,0,0,0,0|1,0,0]=3 6516 B10R0.96 CC(C)CC(=O)COC(C)C 1458a_100000745533_100000210624 [1,1,0,0,0,0|1,0,0]=3 6517 B10R0.96 CC(C)CC(=O)COC(F)F 1458a_200000719455_100000210624 [1,1,0,0,0,0|2,0,0]=4 6518 B10R0.96 CC(C)CC(=O)CSC(C)C 1458a_100000241585_100000210624 [1,1,0,0,0,0|1,0,0]=3 6519 B10R0.96 CC(C)CC(=O)CSC(F)F 1458a_114828291038_100000210624 [1,1,0,0,0,0|2,0,0]=4 6520 B10R0.96 CC(C)CC(=O)NCC(=O)[13CH3] 1458a_100000194594_200025704644 [1,1,0,0,0,0|1,0,1]=4 6521 B10R0.96 CC(C)CC(=O)NCC(C)O 11a_100000210904_100000210554 [1,1,0,0,0,0|1,0,0]=3 6522 B10R0.96 CC(C)CC(=O)NCC(C)O 240690a_100000210904_100000210554 [1,1,0,0,0,0|1,0,0]=3 6523 B10R0.96 CC(C)CC(=O)NCC(C)O 527a_100000210904_100000210554 [1,1,0,0,0,0|1,0,0]=3 6524 B10R0.96 CC(C)CC(=O)NCC(F)F 11a_100000765723_100000210554 [1,1,0,0,0,0|2,0,0]=4 6525 B10R0.96 CC(C)CC(=O)NCC(F)F 1626a_100000765723_100000210554 [1,1,0,0,0,0|2,0,0]=4 6526 B10R0.96 CC(C)CC(=O)NCC(F)F 240690a_100000765723_100000210554 [1,1,0,0,0,0|2,0,0]=4 6527 B10R0.96 CC(C)CC(=O)NCC(F)F 527a_100000765723_100000210554 [1,1,0,0,0,0|2,0,0]=4 6528 B10R0.96 CC(C)CC(=O)NNC(C)C 22a_100000741168_100000210554 [1,1,0,0,0,0|2,0,0]=4 6529 B10R0.96 CC(C)CC(C)OCC(C)Br 34a_100012180447_100000731052 [1,1,0,0,0,0|1,0,1]=4 6530 B10R0.96 CC(C)CC(C)OCC(C)F 34a_100015925927_100000731052 [1,1,0,0,0,0|1,0,1]=4 6531 B10R0.96 CC(C)CC(C)OCC(C)O 34a_100000211805_100011218427 [1,1,0,0,0,0|1,0,1]=4 6532 B10R0.96 CC(C)CC(C)OCC(C)O 7a_100000211805_100011218427 [1,1,0,0,0,0|1,0,1]=4 6533 B10R0.96 CC(C)CC(C)OC[C@@H](C)Cl 34a_100016084084_100000731052 [1,1,0,0,0,0|1,0,1]=4 6534 B10R0.96 CC(C)CC(C)OC[C@@H](C)N 34a_100000737577_100000731052 [1,1,0,0,0,0|1,0,1]=4 6535 B10R0.96 CC(C)CC(C)OC[C@@H](C)O 34a_100000211805_100009817552 [1,1,0,0,0,0|1,0,1]=4 6536 B10R0.96 CC(C)CC(C)OC[C@@H](C)O 7a_100000211805_100009817552 [1,1,0,0,0,0|1,0,1]=4 6537 B10R0.96 CC(C)CCC(=O)CC(C)C 1458a_100000181311_100000210624 [1,1,0,0,0,0|0,0,0]=2 6538 B10R0.96 CC(C)CCC(=O)CC(C)C 1458a_100000210554_100000210312 [1,1,0,0,0,0|0,0,0]=2 6539 B10R0.96 CC(C)CCC(=O)CC(C)O 1458a_100000181311_100011218427 [1,1,0,0,0,0|1,0,0]=3 6540 B10R0.96 CC(C)CCC(=O)CC(F)F 1458a_100000181311_100011934356 [1,1,0,0,0,0|2,0,0]=4 6541 B10R0.96 CC(C)CCC(=O)CN(C)C 1458a_100000750896_100000210312 [1,1,0,0,0,0|1,0,0]=3 6542 B10R0.96 CC(C)CCC(=O)C[C@@H](C)O 1458a_100011933948_100000210312 [1,1,0,0,0,0|1,0,0]=3 6543 B10R0.96 CC(C)CCC(=O)C[S+](C)C 1458a_200159257847_100000210312 [1,1,0,0,0,0|1,0,0]=3 6544 B10R0.96 CC(C)CCC(=O)NC(C)C 11a_100138425928_100000181311 [1,1,0,0,0,0|1,0,0]=3 6545 B10R0.96 CC(C)CCC(=O)NC(C)C 1626a_100138425928_100000181311 [1,1,0,0,0,0|1,0,0]=3 6546 B10R0.96 CC(C)CCC(=O)NC(C)C 240690a_100138425928_100000181311 [1,1,0,0,0,0|1,0,0]=3 6547 B10R0.96 CC(C)CCC(=O)NC(C)C 527a_100138425928_100000181311 [1,1,0,0,0,0|1,0,0]=3 6548 B10R0.96 CC(C)CCN(C)CC(C)C 2230a_100000742789_100000210760 [1,1,0,0,0,0|2,0,0]=4 6549 B10R0.96 CC(C)CCN(C)CC(C)C 2230a_100000747067_100000210312 [1,1,0,0,0,0|2,0,0]=4 6550 B10R0.96 CC(C)CCN(C)CC(C)C 269982a_100000742789_100000210624 [1,1,0,0,0,0|2,0,0]=4 6551 B10R0.96 CC(C)CCN(C)CC(C)C 269982a_100000747067_100000210312 [1,1,0,0,0,0|2,0,0]=4 6552 B10R0.96 CC(C)CCN(C)CC(C)C 270004a_100000742789_100000210432 [1,1,0,0,0,0|2,0,0]=4 6553 B10R0.96 CC(C)CN(C)CCC(C)O 2230a_100000747067_100012276601 [1,1,0,0,0,0|2,0,0]=4 6554 B10R0.96 CC(C)CN(C)CCC(C)O 269982a_100000747067_100012276601 [1,1,0,0,0,0|2,0,0]=4 6555 B10R0.96 CC(C)CNC(=O)CC(C)C 11a_100000210953_100000210554 [1,1,0,0,0,0|1,0,0]=3 6556 B10R0.96 CC(C)CNC(=O)CC(C)C 1626a_100000210953_100000210554 [1,1,0,0,0,0|1,0,0]=3 6557 B10R0.96 CC(C)CNC(=O)CC(C)C 240690a_100000210953_100000210554 [1,1,0,0,0,0|1,0,0]=3 6558 B10R0.96 CC(C)CNC(=O)CC(C)C 527a_100000210953_100000210554 [1,1,0,0,0,0|1,0,0]=3 6559 B10R0.96 CC(C)CNC(=O)CN(C)C 11a_100000210953_100000750896 [1,1,0,0,0,0|2,0,0]=4 6560 B10R0.96 CC(C)CNC(=O)CN(C)C 2230a_100102631434_100000183291 [1,1,0,0,0,0|2,0,0]=4 6561 B10R0.96 CC(C)CNC(=O)CN(C)C 240690a_100000210953_100000750896 [1,1,0,0,0,0|2,0,0]=4 6562 B10R0.96 CC(C)CNC(=O)CN(C)C 269982a_100102631434_100000183291 [1,1,0,0,0,0|2,0,0]=4 6563 B10R0.96 CC(C)CNC(=O)CN(C)C 527a_100000210953_100000750896 [1,1,0,0,0,0|2,0,0]=4 6564 B10R0.96 CC(C)CNC(=O)C[C@@H](C)O 240690a_100000210953_100011933948 [1,1,0,0,0,0|2,0,0]=4 6565 B10R0.96 CC(C)CNC(=O)C[S+](C)C 11a_100000210953_200159257847 [1,1,0,0,0,0|2,0,0]=4 6566 B10R0.96 CC(C)CNC(=O)C[S+](C)C 1626a_100000210953_200159257847 [1,1,0,0,0,0|2,0,0]=4 6567 B10R0.96 CC(C)CNC(=O)C[S+](C)C 240690a_100000210953_200159257847 [1,1,0,0,0,0|2,0,0]=4 6568 B10R0.96 CC(C)CNC(=O)C[S+](C)C 527a_100000210953_200159257847 [1,1,0,0,0,0|2,0,0]=4 6569 B10R0.96 CC(C)CNC(=O)NC(C)C 2708a_100000210953_100138425928 [1,1,0,0,0,0|2,0,0]=4 6570 B10R0.96 CC(C)CNC(=O)NC(C)C 2708a_100138425928_100000210953 [1,1,0,0,0,0|2,0,0]=4 6571 B10R0.96 CC(C)CNC(=O)NC(C)C 273464a_100138425928_100000210953 [1,1,0,0,0,0|2,0,0]=4 6572 B10R0.96 CC(C)CNC(=O)NC(C)C 512a_100000210953_100138425928 [1,1,0,0,0,0|2,0,0]=4 6573 B10R0.96 CC(C)CNC(=O)NC(C)C 512a_100138425928_100000210953 [1,1,0,0,0,0|2,0,0]=4 6574 B10R0.96 CC(C)COC(C)CC(C)C 34a_100000210257_100000731052 [1,1,0,0,0,0|1,0,1]=4 6575 B10R0.96 CC(C)COC(C)CC(C)C 34a_100000211805_100000210624 [1,1,0,0,0,0|1,0,1]=4 6576 B10R0.96 CC(C)COC(C)CC(C)C 7a_100000211805_100000210760 [1,1,0,0,0,0|1,0,1]=4 6577 B10R0.96 CC(C)NC(=O)CCN(C)C 11a_100138425928_100000689311 [1,1,0,0,0,0|2,0,0]=4 6578 B10R0.96 CC(C)NC(=O)CCN(C)C 2230a_100102631434_100000737564 [1,1,0,0,0,0|2,0,0]=4 6579 B10R0.96 CC(C)NC(=O)CCN(C)C 240690a_100138425928_100000689311 [1,1,0,0,0,0|2,0,0]=4 6580 B10R0.96 CC(C)NC(=O)CCN(C)C 269982a_100102631434_100000737564 [1,1,0,0,0,0|2,0,0]=4 6581 B10R0.96 CC(C)NC(=O)CCN(C)C 527a_100138425928_100000689311 [1,1,0,0,0,0|2,0,0]=4 6582 B10R0.96 CC(C)NC(=O)CC[S+](C)C 11a_100138425928_100009452791 [1,1,0,0,0,0|2,0,0]=4 6583 B10R0.96 CC(C)NC(=O)CC[S+](C)C 1626a_100138425928_100009452791 [1,1,0,0,0,0|2,0,0]=4 6584 B10R0.96 CC(C)NC(=O)CC[S+](C)C 240690a_100138425928_100009452791 [1,1,0,0,0,0|2,0,0]=4 6585 B10R0.96 CC(C)NC(=O)COC(C)C 11a_100138425928_100000745533 [1,1,0,0,0,0|2,0,0]=4 6586 B10R0.96 CC(C)NC(=O)COC(C)C 1626a_100138425928_100000745533 [1,1,0,0,0,0|2,0,0]=4 6587 B10R0.96 CC(C)NC(=O)COC(C)C 240690a_100138425928_100000745533 [1,1,0,0,0,0|2,0,0]=4 6588 B10R0.96 CC(C)NC(=O)COC(C)C 34a_100000212225_100000183996 [1,1,0,0,0,0|2,0,0]=4 6589 B10R0.96 CC(C)NC(=O)COC(C)C 527a_100138425928_100000745533 [1,1,0,0,0,0|2,0,0]=4 6590 B10R0.96 CC(C)NC(=O)CSC(C)C 11a_100138425928_100000241585 [1,1,0,0,0,0|2,0,0]=4 6591 B10R0.96 CC(C)NC(=O)CSC(C)C 1626a_100138425928_100000241585 [1,1,0,0,0,0|2,0,0]=4 6592 B10R0.96 CC(C)NC(=O)CSC(C)C 240690a_100138425928_100000241585 [1,1,0,0,0,0|2,0,0]=4 6593 B10R0.96 CC(C)NC(=O)CSC(C)C 527a_100138425928_100000241585 [1,1,0,0,0,0|2,0,0]=4 6594 B10R0.96 CC(C)NC(=O)CSC(C)C 62a_100000183996_100000210206 [1,1,0,0,0,0|2,0,0]=4 6595 B10R0.96 CC(C)NC(=O)CSC(C)C 62a_100000210206_100000183996 [1,1,0,0,0,0|2,0,0]=4 6596 B10R0.96 CC(C)NCC(=O)NC(C)C 2230a_100000168517_100000210206 [1,1,0,0,0,0|2,0,0]=4 6597 B10R0.96 CC(C)NCC(=O)NC(C)C 2230a_100138425928_100000183996 [1,1,0,0,0,0|2,0,0]=4 6598 B10R0.96 CC(C)NCC(=O)NC(C)C 34a_100138425928_100000183996 [1,1,0,0,0,0|2,0,0]=4 6599 B10R0.96 CC(C)NCC(=O)OC(C)C 2230a_100138425928_100011215430 [1,1,0,0,0,0|2,0,0]=4 6600 B10R0.96 CC(C)NCC(=O)OC(C)C 34a_100138425928_100011215430 [1,1,0,0,0,0|2,0,0]=4 6601 B10R0.96 CC(C)OC(=O)CCN(C)C 2230a_100102631434_100000760027 [1,1,0,0,0,0|2,0,0]=4 6602 B10R0.96 CC(C)OC(=O)CCN(C)C 269982a_100102631434_100000760027 [1,1,0,0,0,0|2,0,0]=4 6603 B10R0.96 CC(C)OC(=O)CSC(C)C 62a_100000210206_100011215430 [1,1,0,0,0,0|2,0,0]=4 6604 B10R0.96 CC(C)OC(=O)CSC(C)C 62a_100011215430_100000210206 [1,1,0,0,0,0|2,0,0]=4 6605 B10R0.96 CC(C)OC(=O)OCN(C)C 269982a_100102631434_100010125566 [1,1,0,0,0,0|2,0,0]=4 6606 B10R0.96 CC(C)OCC(=O)OC(C)C 34a_100000212225_100011215430 [1,1,0,0,0,0|2,0,0]=4 6607 B10R0.96 CC(O)CC(=O)CC[S+](C)C 1458a_100009452791_100011218427 [1,1,0,0,0,0|2,0,0]=4 6608 B10R0.96 CC(O)CC(=O)COC(C)C 1458a_100000745533_100011218427 [1,1,0,0,0,0|2,0,0]=4 6609 B10R0.96 CC(O)CC(=O)CSC(C)C 1458a_100000241585_100011218427 [1,1,0,0,0,0|2,0,0]=4 6610 B10R0.96 CC(O)CCC(=O)CN(C)C 1458a_100000750896_100012276601 [1,1,0,0,0,0|1,0,0]=3 6611 B10R0.96 CC(O)CCC(=O)C[C@@H](C)O 1458a_100011933948_100012276601 [1,1,0,0,0,0|1,0,0]=3 6612 B10R0.96 CC(O)CCC(=O)C[S+](C)C 1458a_200159257847_100012276601 [1,1,0,0,0,0|1,0,0]=3 6613 B10R0.96 CC(O)CCC(=O)NC(C)C 1626a_100138425928_100000718519 [1,1,0,0,0,0|1,0,0]=3 6614 B10R0.96 CC(O)CNC(=O)CN(C)C 11a_100000210904_100000750896 [1,1,0,0,0,0|2,0,0]=4 6615 B10R0.96 CC(O)CNC(=O)CN(C)C 240690a_100000210904_100000750896 [1,1,0,0,0,0|2,0,0]=4 6616 B10R0.96 CC(O)CNC(=O)CN(C)C 527a_100000210904_100000750896 [1,1,0,0,0,0|2,0,0]=4 6617 B10R0.96 CC(O)CNC(=O)C[C@@H](C)O 240690a_100000210904_100011933948 [1,1,0,0,0,0|2,0,0]=4 6618 B10R0.96 CC(O)CNC(=O)C[S+](C)C 11a_100000210904_200159257847 [1,1,0,0,0,0|2,0,0]=4 6619 B10R0.96 CC(O)CNC(=O)C[S+](C)C 240690a_100000210904_200159257847 [1,1,0,0,0,0|2,0,0]=4 6620 B10R0.96 CC(O)CNC(=O)C[S+](C)C 527a_100000210904_200159257847 [1,1,0,0,0,0|2,0,0]=4 6621 B10R0.96 CC(O)CNC(=O)NC(C)C 2708a_100138425928_100000210904 [1,1,0,0,0,0|2,0,0]=4 6622 B10R0.96 CC(O)CNC(=O)NC(C)C 273464a_100138425928_100000210904 [1,1,0,0,0,0|2,0,0]=4 6623 B10R0.96 CC(O)CNC(=O)NC(C)C 512a_100000210904_100138425928 [1,1,0,0,0,0|2,0,0]=4 6624 B10R0.96 CC(O)CNC(=O)NC(C)C 512a_100138425928_100000210904 [1,1,0,0,0,0|2,0,0]=4 6625 B10R0.122 CCCCS(=O)(=O)NC(C)C 270084a_100138425928_100000212082 [1,1,0,0,0,0|2,0,0]=4 6626 B10R0.122 CCCCS(=O)(=O)NC(C)C 274078a_100138425928_100000212082 [1,1,0,0,0,0|2,0,0]=4 6627 B10R0.122 CCCNS(=O)(=O)CC(C)C 270084a_100020643023_100000748289 [1,1,0,0,0,0|2,0,0]=4 6628 B10R0.122 CCCNS(=O)(=O)CC(C)C 274078a_100020643023_100000748289 [1,1,0,0,0,0|2,0,0]=4 6629 B10R0.1 C#CCC(=O)COCCCC 1458a_100000757543_100000184674 [1,1,0,0,0,0|0,0,2]=4 6630 B10R0.1 C#CCC(=O)COCCCC 1458a_100011220946_100011995733 [1,1,0,0,0,0|0,0,2]=4 6631 B10R0.1 C#CCCCCC(=O)CCC 1458a_100000211992_100010269958 [1,1,0,0,0,0|1,0,1]=4 6632 B10R0.1 C#CCCCCC(=O)CCC 1458a_100000696528_100000210303 [1,1,0,0,0,0|1,0,1]=4 6633 B10R0.1 C#CCCCNC(=O)CCC 11a_100000718082_100000211992 [1,1,0,0,0,0|1,0,1]=4 6634 B10R0.1 C#CCCCNC(=O)CCC 1626a_100000718082_100000211992 [1,1,0,0,0,0|1,0,1]=4 6635 B10R0.1 C#CCCCNC(=O)CCC 240690a_100000718082_100000211992 [1,1,0,0,0,0|1,0,1]=4 6636 B10R0.1 C#CCCCNC(=O)CCC 527a_100000718082_100000211992 [1,1,0,0,0,0|1,0,1]=4 6637 B10R0.1 C#CCNCOC(=O)CCC 34a_100000212058_100000034017 [1,1,0,0,0,0|0,0,2]=4 6638 B10R0.1 C#CCOCOC(=O)CCC 34a_100000210247_100000034017 [1,1,0,0,0,0|0,0,2]=4 6639 B10R0.1 C#CCSCOC(=O)CCC 62a_100000038162_100000034017 [1,1,0,0,0,0|0,0,2]=4 6640 B10R0.1 C=CCC(=O)COCCCC 1458a_100000210193_100011995733 [1,1,0,0,0,0|0,0,2]=4 6641 B10R0.1 C=CCC(=O)COCCCC 1458a_100000757543_100000210623 [1,1,0,0,0,0|0,0,2]=4 6642 B10R0.1 C=CCCCCC(=O)CCC 1458a_100000211992_100011215482 [1,1,0,0,0,0|1,0,1]=4 6643 B10R0.1 C=CCCCCC(=O)CCC 1458a_100011215552_100000210303 [1,1,0,0,0,0|1,0,1]=4 6644 B10R0.1 C=CCCCNC(=O)CCC 11a_100000700776_100000211992 [1,1,0,0,0,0|1,0,1]=4 6645 B10R0.1 C=CCCCNC(=O)CCC 1626a_100000700776_100000211992 [1,1,0,0,0,0|1,0,1]=4 6646 B10R0.1 C=CCCCNC(=O)CCC 240690a_100000700776_100000211992 [1,1,0,0,0,0|1,0,1]=4 6647 B10R0.1 C=CCCCNC(=O)CCC 527a_100000700776_100000211992 [1,1,0,0,0,0|1,0,1]=4 6648 B10R0.1 C=CCNCOC(=O)CCC 2230a_100020586998_100000034017 [1,1,0,0,0,0|0,0,2]=4 6649 B10R0.1 C=CCOCOC(=O)CCC 34a_200000210373_100000034017 [1,1,0,0,0,0|0,0,2]=4 6650 B10R0.1 C=CCSCOC(=O)CCC 62a_100000210623_100000034017 [1,1,0,0,0,0|0,0,2]=4 6651 B10R0.1 CC#CC(=O)COCCCC 1458a_100000763181_100011995733 [1,1,0,0,0,0|0,0,2]=4 6652 B10R0.1 CC/C=C\CCC(=O)CCC 1458a_100000211992_100015370543 [1,1,0,0,0,0|1,0,1]=4 6653 B10R0.1 CC=CC(=O)COCCCC 1458a_100000210699_100011995733 [1,1,0,0,0,0|0,0,2]=4 6654 B10R0.1 CCC/C=C/CC(=O)CCC 1458a_200016266809_100000210303 [1,1,0,0,0,0|1,0,1]=4 6655 B10R0.1 CCCC(=O)CCCCC#N 1458a_100000211992_100000211819 [1,1,0,0,0,0|1,0,1]=4 6656 B10R0.1 CCCC(=O)CCCCCF 1458a_100000211992_100000729378 [1,1,0,0,0,0|1,0,0]=3 6657 B10R0.1 CCCC(=O)CCCCCO 1458a_100000211992_100000746330 [1,1,0,0,0,0|1,0,0]=3 6658 B10R0.1 CCCC(=O)CCCCCO 1458a_100102619762_100000210303 [1,1,0,0,0,0|1,0,0]=3 6659 B10R0.1 CCCC(=O)CCCCOC 1458a_100000211992_100000755781 [1,1,0,0,0,0|1,0,0]=3 6660 B10R0.1 CCCC(=O)CCCOCC 1458a_100000211992_100012232248 [1,1,0,0,0,0|1,0,0]=3 6661 B10R0.1 CCCC(=O)CCOCCO 1458a_100000211992_100011215305 [1,1,0,0,0,0|2,0,0]=4 6662 B10R0.1 CCCC(=O)CCOCCO 1458a_100011229844_100000210303 [1,1,0,0,0,0|2,0,0]=4 6663 B10R0.1 CCCC(=O)CNCCCF 2230a_100015189416_100000747444 [1,1,0,0,0,0|2,0,0]=4 6664 B10R0.1 CCCC(=O)CNCCOC 2230a_100000209980_100000747444 [1,1,0,0,0,0|2,0,0]=4 6665 B10R0.1 CCCC(=O)CNCCSC 2230a_100020590264_100000747444 [1,1,0,0,0,0|2,0,0]=4 6666 B10R0.1 CCCC(=O)COCCOC 1458a_100000211095_100000210303 [1,1,0,0,0,0|1,0,0]=3 6667 B10R0.1 CCCC(=O)COCCSC 7a_100000230434_100000747444 [1,1,0,0,0,0|1,0,0]=3 6668 B10R0.1 CCCC(=O)CSCCCF 62a_100000747444_100011934791 [1,1,0,0,0,0|1,1,0]=4 6669 B10R0.1 CCCC(=O)CSCCCF 62a_100011934791_100000747444 [1,1,0,0,0,0|1,1,0]=4 6670 B10R0.1 CCCC(=O)CSCCCO 62a_100000747444_100011215043 [1,1,0,0,0,0|1,1,0]=4 6671 B10R0.1 CCCC(=O)CSCCCO 62a_100011215043_100000747444 [1,1,0,0,0,0|1,1,0]=4 6672 B10R0.1 CCCC(=O)CSCCOC 62a_100000233755_100000747444 [1,1,0,0,0,0|1,1,0]=4 6673 B10R0.1 CCCC(=O)CSCCOC 62a_100000747444_100000233755 [1,1,0,0,0,0|1,1,0]=4 6674 B10R0.1 CCCC(=O)CSCCSC 62a_100000212216_100000747444 [1,1,0,0,0,0|1,1,0]=4 6675 B10R0.1 CCCC(=O)CSCCSC 62a_100000747444_100000751147 [1,1,0,0,0,0|1,1,0]=4 6676 B10R0.1 CCCC(=O)CSCOCC 62a_100000739092_100000747444 [1,1,0,0,0,0|1,1,0]=4 6677 B10R0.1 CCCC(=O)CSCOCC 62a_100000747444_100000739092 [1,1,0,0,0,0|1,1,0]=4 6678 B10R0.1 CCCC(=O)NCCCCO 240690a_100000750430_100000211992 [1,1,0,0,0,0|1,0,0]=3 6679 B10R0.1 CCCC(=O)NCCCCO 527a_100000750430_100000211992 [1,1,0,0,0,0|1,0,0]=3 6680 B10R0.1 CCCC(=O)NCCCOC 1626a_100150723488_100000211992 [1,1,0,0,0,0|1,0,0]=3 6681 B10R0.1 CCCC(=O)NCCCOC 240690a_100150723488_100000211992 [1,1,0,0,0,0|1,0,0]=3 6682 B10R0.1 CCCC(=O)NCCCOC 527a_100150723488_100000211992 [1,1,0,0,0,0|1,0,0]=3 6683 B10R0.1 CCCC(=O)NCCCSC 11a_100000749238_100000211992 [1,1,0,0,0,0|1,0,0]=3 6684 B10R0.1 CCCC(=O)NCCCSC 1626a_100000749238_100000211992 [1,1,0,0,0,0|1,0,0]=3 6685 B10R0.1 CCCC(=O)NCCCSC 240690a_100000749238_100000211992 [1,1,0,0,0,0|1,0,0]=3 6686 B10R0.1 CCCC(=O)NCCCSC 527a_100000749238_100000211992 [1,1,0,0,0,0|1,0,0]=3 6687 B10R0.1 CCCC(=O)NCCOCC 11a_100011200944_100000211992 [1,1,0,0,0,0|1,0,0]=3 6688 B10R0.1 CCCC(=O)NCCOCC 1626a_102516460346_100000211992 [1,1,0,0,0,0|1,0,0]=3 6689 B10R0.1 CCCC(=O)NCCOCC 240690a_100011200944_100000211992 [1,1,0,0,0,0|1,0,0]=3 6690 B10R0.1 CCCC(=O)NCCOCC 527a_100011200944_100000211992 [1,1,0,0,0,0|1,0,0]=3 6691 B10R0.1 CCCC(=O)NCCSCC 11a_100000106463_100000211992 [1,1,0,0,0,0|1,0,0]=3 6692 B10R0.1 CCCC(=O)NCCSCC 1626a_100000106463_100000211992 [1,1,0,0,0,0|1,0,0]=3 6693 B10R0.1 CCCC(=O)NCCSCC 240690a_100000106463_100000211992 [1,1,0,0,0,0|1,0,0]=3 6694 B10R0.1 CCCC(=O)NCCSCC 527a_100000106463_100000211992 [1,1,0,0,0,0|1,0,0]=3 6695 B10R0.1 CCCC(=O)NNCCOC 22a_100000741390_100000211992 [1,1,0,0,0,0|2,0,0]=4 6696 B10R0.1 CCCC(=O)OCNCCF 34a_100000724931_100000034017 [1,1,0,0,0,0|1,0,0]=3 6697 B10R0.1 CCCC(=O)OCNCCO 2230a_100016997473_100000034017 [1,1,0,0,0,0|1,0,0]=3 6698 B10R0.1 CCCC(=O)OCNCCO 34a_100016990907_100000034017 [1,1,0,0,0,0|1,0,0]=3 6699 B10R0.1 CCCC(=O)OCOCCBr 34a_100000211926_100000034017 [1,1,0,0,0,0|1,0,0]=3 6700 B10R0.1 CCCC(=O)OCOCCN 34a_100000210304_100000034017 [1,1,0,0,0,0|1,0,0]=3 6701 B10R0.1 CCCC(=O)OCSCC#N 62a_100011215382_100000034017 [1,1,0,0,0,0|1,0,1]=4 6702 B10R0.1 CCCC(=O)OCSCC=O 62a_200015260668_100000034017 [1,1,0,0,0,0|1,0,1]=4 6703 B10R0.1 CCCC(=O)OCSCCF 62a_100011217306_100000034017 [1,1,0,0,0,0|1,0,0]=3 6704 B10R0.1 CCCC(=O)OCSCCO 62a_100000211926_100000034017 [1,1,0,0,0,0|1,0,0]=3 6705 B10R0.1 CCCC(=O)OCSCOC 62a_100000766300_100000034017 [1,1,0,0,0,0|1,0,0]=3 6706 B10R0.1 CCCC(=O)OCSCSC 62a_100011218213_100000034017 [1,1,0,0,0,0|1,0,0]=3 6707 B10R0.1 CCCC(C)OCCCCBr 34a_100011216708_100000766640 [1,1,0,0,0,0|1,0,1]=4 6708 B10R0.1 CCCC(C)OCCCCCl 34a_100000210776_100000766640 [1,1,0,0,0,0|1,0,1]=4 6709 B10R0.1 CCCC(C)OCCCCCl 7a_100000210776_100000766640 [1,1,0,0,0,0|1,0,1]=4 6710 B10R0.1 CCCC(C)OCCCCF 34a_100000764384_100000729493 [1,1,0,0,0,0|1,0,1]=4 6711 B10R0.1 CCCC(C)OCCCCF 34a_100011995726_100000766640 [1,1,0,0,0,0|1,0,1]=4 6712 B10R0.1 CCCC(C)OCCCCF 7a_100000764384_100000729493 [1,1,0,0,0,0|1,0,1]=4 6713 B10R0.1 CCCC(C)OCCCCF 7a_100011995726_100000766640 [1,1,0,0,0,0|1,0,1]=4 6714 B10R0.1 CCCC(C)OCCCCI 34a_200012148704_100000766640 [1,1,0,0,0,0|1,0,1]=4 6715 B10R0.1 CCCC(C)OCCCCN 34a_100000750430_100000766640 [1,1,0,0,0,0|1,0,1]=4 6716 B10R0.1 CCCC(C)OCCCCO 34a_100000764384_100011216708 [1,1,0,0,0,0|1,0,1]=4 6717 B10R0.1 CCCC(C)OCCCCO 7a_100000764384_100000210776 [1,1,0,0,0,0|1,0,1]=4 6718 B10R0.1 CCCC(C)OCCCNC 34a_100000213112_100000766640 [1,1,0,0,0,0|1,0,1]=4 6719 B10R0.1 CCCC(C)OCCCOC 34a_100000740835_100000766640 [1,1,0,0,0,0|1,0,1]=4 6720 B10R0.1 CCCC(C)OCCCOC 34a_100000764384_100000740836 [1,1,0,0,0,0|1,0,1]=4 6721 B10R0.1 CCCC(C)OCCCOC 7a_100000764384_100000740836 [1,1,0,0,0,0|1,0,1]=4 6722 B10R0.1 CCCC(C)OCCCSC 34a_100000690336_100000766640 [1,1,0,0,0,0|1,0,1]=4 6723 B10R0.1 CCCC(C)OCCCSC 7a_100000690336_100000766640 [1,1,0,0,0,0|1,0,1]=4 6724 B10R0.1 CCCC(C)OCCOCC 34a_100000210136_100000766640 [1,1,0,0,0,0|1,0,1]=4 6725 B10R0.1 CCCC(C)OCCOCC 34a_100000764384_100000210147 [1,1,0,0,0,0|1,0,1]=4 6726 B10R0.1 CCCC(C)OCCOCC 7a_100000210136_100000766640 [1,1,0,0,0,0|1,0,1]=4 6727 B10R0.1 CCCC(C)OCCOCC 7a_100000764384_100011215890 [1,1,0,0,0,0|1,0,1]=4 6728 B10R0.1 CCCC(C)OCCSCC 34a_100000212035_100000766640 [1,1,0,0,0,0|1,0,1]=4 6729 B10R0.1 CCCC(C)OCCSCC 34a_100000764384_100000757381 [1,1,0,0,0,0|1,0,1]=4 6730 B10R0.1 CCCC(C)OCCSCC 7a_100000212035_100000766640 [1,1,0,0,0,0|1,0,1]=4 6731 B10R0.1 CCCC(C)OCCSCC 7a_100000764384_100000757381 [1,1,0,0,0,0|1,0,1]=4 6732 B10R0.1 CCCC=NNC(=O)CCC 4a_100000189770_100000185831 [1,1,0,0,0,0|1,0,1]=4 6733 B10R0.1 CCCCC=CC(=O)CCC 1458a_100016266645_100000210303 [1,1,0,0,0,0|1,0,0]=3 6734 B10R0.1 CCCCC=CC(=O)CCF 1458a_100016266645_100011217306 [1,1,0,0,0,0|2,0,0]=4 6735 B10R0.1 CCCCC=CC(=O)CCO 1458a_100016266645_100000211926 [1,1,0,0,0,0|2,0,0]=4 6736 B10R0.1 CCCCC=CC(=O)NCC 11a_100015525214_100016266645 [1,1,0,0,0,0|2,0,0]=4 6737 B10R0.1 CCCCC=CC(=O)NCC 240690a_100015525214_100016266645 [1,1,0,0,0,0|2,0,0]=4 6738 B10R0.1 CCCCCCC(=O)CCC 1458a_100000211992_100000210757 [1,1,0,0,0,0|1,0,0]=3 6739 B10R0.1 CCCCCCC(=O)CCC 1458a_100102632555_100000210303 [1,1,0,0,0,0|1,0,0]=3 6740 B10R0.1 CCCCCCC(=O)CCF 1458a_100102632555_100011217306 [1,1,0,0,0,0|2,0,0]=4 6741 B10R0.1 CCCCCCC(=O)CCO 1458a_100011216618_100000210757 [1,1,0,0,0,0|2,0,0]=4 6742 B10R0.1 CCCCCCC(=O)CCO 1458a_100102632555_100000211926 [1,1,0,0,0,0|2,0,0]=4 6743 B10R0.1 CCCCCCC(=O)COC 1458a_100000210968_100000210757 [1,1,0,0,0,0|2,0,0]=4 6744 B10R0.1 CCCCCCC(=O)CSC 1458a_100000184570_100000210757 [1,1,0,0,0,0|2,0,0]=4 6745 B10R0.1 CCCCCCC(=O)NCC 11a_100015525214_100102632555 [1,1,0,0,0,0|2,0,0]=4 6746 B10R0.1 CCCCCCC(=O)NCC 240690a_100015525214_100102632555 [1,1,0,0,0,0|2,0,0]=4 6747 B10R0.1 CCCCCCC(=O)NCC 527a_100015525214_100102632555 [1,1,0,0,0,0|2,0,0]=4 6748 B10R0.1 CCCCCNC(=O)CCC 11a_100000209983_100000211992 [1,1,0,0,0,0|1,0,0]=3 6749 B10R0.1 CCCCCNC(=O)CCC 1626a_100000209983_100000211992 [1,1,0,0,0,0|1,0,0]=3 6750 B10R0.1 CCCCCNC(=O)CCC 240690a_100000209983_100000211992 [1,1,0,0,0,0|1,0,0]=3 6751 B10R0.1 CCCCCNC(=O)CCC 527a_100000209983_100000211992 [1,1,0,0,0,0|1,0,0]=3 6752 B10R0.1 CCCCCNC(=O)CCO 240690a_100000209983_100011216618 [1,1,0,0,0,0|2,0,0]=4 6753 B10R0.1 CCCCCNC(=O)CNC 2230a_106832991635_100000230301 [1,1,0,0,0,0|2,0,0]=4 6754 B10R0.1 CCCCCNC(=O)CNC 34a_100102657272_100000230301 [1,1,0,0,0,0|2,0,0]=4 6755 B10R0.1 CCCCCNC(=O)CNC 7a_106832991635_100000230301 [1,1,0,0,0,0|2,0,0]=4 6756 B10R0.1 CCCCCNC(=O)COC 11a_100000209983_100000210968 [1,1,0,0,0,0|2,0,0]=4 6757 B10R0.1 CCCCCNC(=O)COC 1626a_100000209983_100000210968 [1,1,0,0,0,0|2,0,0]=4 6758 B10R0.1 CCCCCNC(=O)COC 240690a_100000209983_100000210968 [1,1,0,0,0,0|2,0,0]=4 6759 B10R0.1 CCCCCNC(=O)COC 34a_100138415774_100000230301 [1,1,0,0,0,0|2,0,0]=4 6760 B10R0.1 CCCCCNC(=O)COC 527a_100000209983_100000210968 [1,1,0,0,0,0|2,0,0]=4 6761 B10R0.1 CCCCCNC(=O)CSC 11a_100000209983_100000184570 [1,1,0,0,0,0|2,0,0]=4 6762 B10R0.1 CCCCCNC(=O)CSC 1626a_100000209983_100000184570 [1,1,0,0,0,0|2,0,0]=4 6763 B10R0.1 CCCCCNC(=O)CSC 240690a_100000209983_100000184570 [1,1,0,0,0,0|2,0,0]=4 6764 B10R0.1 CCCCCNC(=O)CSC 527a_100000209983_100000184570 [1,1,0,0,0,0|2,0,0]=4 6765 B10R0.1 CCCCCNC(=O)CSC 62a_100000230301_200000210301 [1,1,0,0,0,0|2,0,0]=4 6766 B10R0.1 CCCCCNC(=O)CSC 62a_200000210301_100000230301 [1,1,0,0,0,0|2,0,0]=4 6767 B10R0.1 CCCCCNC(=O)CS[13CH3] 62a_100000230301_200025704644 [1,1,0,0,0,0|2,0,0]=4 6768 B10R0.1 CCCCCNC(=O)CS[13CH3] 62a_200025704644_100000230301 [1,1,0,0,0,0|2,0,0]=4 6769 B10R0.1 CCCCCNC(=O)NCC 2708a_100000209983_100015525214 [1,1,0,0,0,0|2,0,0]=4 6770 B10R0.1 CCCCCNC(=O)NCC 2708a_100015525214_100000209983 [1,1,0,0,0,0|2,0,0]=4 6771 B10R0.1 CCCCCNC(=O)NCC 273464a_100000209983_100015525214 [1,1,0,0,0,0|2,0,0]=4 6772 B10R0.1 CCCCCNC(=O)NCC 273464a_100015525214_100000209983 [1,1,0,0,0,0|2,0,0]=4 6773 B10R0.1 CCCCCNC(=O)NCC 512a_100000209983_100015525214 [1,1,0,0,0,0|2,0,0]=4 6774 B10R0.1 CCCCCNC(=O)NCC 512a_100015525214_100000209983 [1,1,0,0,0,0|2,0,0]=4 6775 B10R0.1 CCCCCOC(C)CCC 34a_100000210253_100000766640 [1,1,0,0,0,0|1,0,1]=4 6776 B10R0.1 CCCCCOC(C)CCC 34a_100000764384_100000718602 [1,1,0,0,0,0|1,0,1]=4 6777 B10R0.1 CCCCCOC(C)CCC 7a_100000210253_100000766640 [1,1,0,0,0,0|1,0,1]=4 6778 B10R0.1 CCCCCOC(C)CCC 7a_100000764384_100000210326 [1,1,0,0,0,0|1,0,1]=4 6779 B10R0.1 CCCCNCC(=O)CCC 2230a_100000102301_100000747444 [1,1,0,0,0,0|1,0,0]=3 6780 B10R0.1 CCCCNCC(=O)CCC 7a_106832991798_100000747444 [1,1,0,0,0,0|1,0,0]=3 6781 B10R0.1 CCCCNCC(=O)NCC 2230a_100000102301_100000183381 [1,1,0,0,0,0|2,0,0]=4 6782 B10R0.1 CCCCNCC(=O)NCC 2230a_100016988866_100000210211 [1,1,0,0,0,0|2,0,0]=4 6783 B10R0.1 CCCCNCC(=O)NCC 7a_106832991798_100000183381 [1,1,0,0,0,0|2,0,0]=4 6784 B10R0.1 CCCCNCC(=O)OCC 2230a_100000102301_100000188475 [1,1,0,0,0,0|2,0,0]=4 6785 B10R0.1 CCCCNCC(=O)OCC 7a_106832991798_100000188475 [1,1,0,0,0,0|2,0,0]=4 6786 B10R0.1 CCCCNN=C(C)CCC 4a_100025702795_100000211909 [1,1,0,0,0,0|2,0,0]=4 6787 B10R0.1 CCCCNNC(=O)CCC 22a_100025702795_100000211992 [1,1,0,0,0,0|1,0,0]=3 6788 B10R0.1 CCCCNNC(=O)CCO 22a_100025702795_100011216618 [1,1,0,0,0,0|2,0,0]=4 6789 B10R0.1 CCCCNNC(=O)COC 22a_100025702795_100000210968 [1,1,0,0,0,0|2,0,0]=4 6790 B10R0.1 CCCCNNC(=O)CSC 22a_100025702795_100000184570 [1,1,0,0,0,0|2,0,0]=4 6791 B10R0.1 CCCCNNC(=O)NCC 273464a_100015525214_100025702795 [1,1,0,0,0,0|2,0,0]=4 6792 B10R0.1 CCCCNNC(=O)NCC 512a_100015525214_100025702795 [1,1,0,0,0,0|2,0,0]=4 6793 B10R0.1 CCCCNNC(=O)NCC 512a_100025702795_100015525214 [1,1,0,0,0,0|2,0,0]=4 6794 B10R0.1 CCCCOCC(=O)CC#N 1458a_100000757543_100011214920 [1,1,0,0,0,0|1,0,1]=4 6795 B10R0.1 CCCCOCC(=O)CC#N 1458a_100051588842_100011995733 [1,1,0,0,0,0|1,0,1]=4 6796 B10R0.1 CCCCOCC(=O)CCC 1458a_100000211992_100011995733 [1,1,0,0,0,0|0,0,0]=2 6797 B10R0.1 CCCCOCC(=O)CCC 1458a_100000757543_100000210303 [1,1,0,0,0,0|0,0,0]=2 6798 B10R0.1 CCCCOCC(=O)CCC 7a_100000210227_100000747444 [1,1,0,0,0,0|0,0,0]=2 6799 B10R0.1 CCCCOCC(=O)CCF 1458a_100000757543_100011217306 [1,1,0,0,0,0|1,0,0]=3 6800 B10R0.1 CCCCOCC(=O)CCO 1458a_100000757543_100000211926 [1,1,0,0,0,0|1,0,0]=3 6801 B10R0.1 CCCCOCC(=O)CCO 1458a_100011216618_100011995733 [1,1,0,0,0,0|1,0,0]=3 6802 B10R0.1 CCCCOCC(=O)COC 1458a_100000210968_100011995733 [1,1,0,0,0,0|1,0,0]=3 6803 B10R0.1 CCCCOCC(=O)CSC 1458a_100000184570_100011995733 [1,1,0,0,0,0|1,0,0]=3 6804 B10R0.1 CCCCOCC(=O)NCC 11a_100015525214_100000757543 [1,1,0,0,0,0|1,0,0]=3 6805 B10R0.1 CCCCOCC(=O)NCC 240690a_100015525214_100000757543 [1,1,0,0,0,0|1,0,0]=3 6806 B10R0.1 CCCCOCC(=O)NCC 34a_100000210227_100000183381 [1,1,0,0,0,0|1,0,0]=3 6807 B10R0.1 CCCCOCC(=O)NCC 527a_100015525214_100000757543 [1,1,0,0,0,0|1,0,0]=3 6808 B10R0.1 CCCCOCC(=O)NCC 7a_100000210227_100000183381 [1,1,0,0,0,0|1,0,0]=3 6809 B10R0.1 CCCCOCC(=O)NCO 34a_100000210227_100000185155 [1,1,0,0,0,0|2,0,0]=4 6810 B10R0.1 CCCCOCC(=O)NCO 7a_100000210227_100000185155 [1,1,0,0,0,0|2,0,0]=4 6811 B10R0.1 CCCCOCC(=O)NNC 22a_100016993582_100000757543 [1,1,0,0,0,0|2,0,0]=4 6812 B10R0.1 CCCCOCC(=O)OCC 34a_100000210227_100000188475 [1,1,0,0,0,0|1,0,0]=3 6813 B10R0.1 CCCCOCC(=O)OCC 7a_100000210227_100000188475 [1,1,0,0,0,0|1,0,0]=3 6814 B10R0.1 CCCCOCC(C)CCC 34a_100000210227_100011216630 [1,1,0,0,0,0|1,0,1]=4 6815 B10R0.1 CCCCOCC(C)CCC 34a_100000688023_100000210210 [1,1,0,0,0,0|1,0,1]=4 6816 B10R0.1 CCCCOCC(C)CCC 7a_100000210227_100011216630 [1,1,0,0,0,0|1,0,1]=4 6817 B10R0.1 CCCCOCC(C)CCC 7a_100000688023_100000210211 [1,1,0,0,0,0|1,0,1]=4 6818 B10R0.1 CCCCOCN(C)CCC 2230a_100000747261_100011995733 [1,1,0,0,0,0|2,0,0]=4 6819 B10R0.1 CCCCOCN(C)CCC 269982a_100000747261_100011995733 [1,1,0,0,0,0|2,0,0]=4 6820 B10R0.1 CCCCOC[C@@H](N)CCC 34a_100000732646_100000210210 [1,1,0,0,0,0|1,0,1]=4 6821 B10R0.1 CCCCSCC(=O)CCC 1458a_100000191162_100000210303 [1,1,0,0,0,0|0,1,0]=3 6822 B10R0.1 CCCCSCC(=O)CCC 62a_100000210211_100000747444 [1,1,0,0,0,0|0,1,0]=3 6823 B10R0.1 CCCCSCC(=O)CCC 62a_100000747444_100000210210 [1,1,0,0,0,0|0,1,0]=3 6824 B10R0.1 CCCCSCC(=O)CCF 1458a_100000191162_100011217306 [1,1,0,0,0,0|1,1,0]=4 6825 B10R0.1 CCCCSCC(=O)CCO 1458a_100000191162_100000211926 [1,1,0,0,0,0|1,1,0]=4 6826 B10R0.1 CCCCSCC(=O)NCC 11a_100015525214_100000191162 [1,1,0,0,0,0|1,1,0]=4 6827 B10R0.1 CCCCSCC(=O)NCC 240690a_100015525214_100000191162 [1,1,0,0,0,0|1,1,0]=4 6828 B10R0.1 CCCCSCC(=O)NCC 527a_100015525214_100000191162 [1,1,0,0,0,0|1,1,0]=4 6829 B10R0.1 CCCCSCC(=O)NCC 62a_100000183381_100000210210 [1,1,0,0,0,0|1,1,0]=4 6830 B10R0.1 CCCCSCC(=O)NCC 62a_100000210211_100000183381 [1,1,0,0,0,0|1,1,0]=4 6831 B10R0.1 CCCCSCC(=O)OCC 62a_100000188475_100000210210 [1,1,0,0,0,0|1,1,0]=4 6832 B10R0.1 CCCCSCC(=O)OCC 62a_100000210211_100000188475 [1,1,0,0,0,0|1,1,0]=4 6833 B10R0.1 CCCNCCC(=O)NCC 34a_100025743525_100000210303 [1,1,0,0,0,0|2,0,0]=4 6834 B10R0.1 CCCOCCC(=O)CCC 1458a_100000211992_100011215938 [1,1,0,0,0,0|1,0,0]=3 6835 B10R0.1 CCCOCCC(=O)CCO 1458a_100011216618_100011215938 [1,1,0,0,0,0|2,0,0]=4 6836 B10R0.1 CCCOCCC(=O)COC 1458a_100000210968_100011215938 [1,1,0,0,0,0|2,0,0]=4 6837 B10R0.1 CCCOCCC(=O)CSC 1458a_100000184570_100011215938 [1,1,0,0,0,0|2,0,0]=4 6838 B10R0.1 CCCOCCC(=O)OCC 34a_100000210258_100000765890 [1,1,0,0,0,0|2,0,0]=4 6839 B10R0.1 CCCOCOC(=O)CCC 34a_100000210258_100000034017 [1,1,0,0,0,0|0,0,0]=2 6840 B10R0.1 CCCSCCC(=O)NCC 62a_100000210303_100000737597 [1,1,0,0,0,0|2,0,0]=4 6841 B10R0.1 CCCSCCC(=O)NCC 62a_100000737597_100000210303 [1,1,0,0,0,0|2,0,0]=4 6842 B10R0.1 CCCSCCC(=O)OCC 62a_100000210303_100000765890 [1,1,0,0,0,0|2,0,0]=4 6843 B10R0.1 CCCSCCC(=O)OCC 62a_100000765890_100000210303 [1,1,0,0,0,0|2,0,0]=4 6844 B10R0.1 CCCSCOC(=O)CCC 62a_100000210303_100000034017 [1,1,0,0,0,0|0,0,0]=2 6845 B10R0.1 CCCSCOC(=O)OCC 62a_100000210303_100000075025 [1,1,0,0,0,0|1,0,0]=3 6846 B10R0.1 CCNC(=O)CCCCCO 240690a_100015525214_100102619762 [1,1,0,0,0,0|2,0,0]=4 6847 B10R0.1 CCNC(=O)COCCCBr 34a_100011217188_100000183381 [1,1,0,0,0,0|2,0,0]=4 6848 B10R0.1 CCNC(=O)COCCCCl 34a_100000230001_100000183381 [1,1,0,0,0,0|2,0,0]=4 6849 B10R0.1 CCNC(=O)COCCCF 34a_100000759539_100000183381 [1,1,0,0,0,0|2,0,0]=4 6850 B10R0.1 CCNC(=O)COCCCN 34a_100000182051_100000183381 [1,1,0,0,0,0|2,0,0]=4 6851 B10R0.1 CCNC(=O)COCCOC 11a_100015525214_100000211095 [1,1,0,0,0,0|2,0,0]=4 6852 B10R0.1 CCNC(=O)COCCOC 240690a_100015525214_100000211095 [1,1,0,0,0,0|2,0,0]=4 6853 B10R0.1 CCNC(=O)COCCOC 34a_100000210237_100000183381 [1,1,0,0,0,0|2,0,0]=4 6854 B10R0.1 CCNC(=O)COCCOC 527a_100015525214_100000211095 [1,1,0,0,0,0|2,0,0]=4 6855 B10R0.1 CCNC(=O)COCCSC 34a_100000230434_100000183381 [1,1,0,0,0,0|2,0,0]=4 6856 B10R0.1 CCNC(=O)COCCSC 7a_100000230434_100000183381 [1,1,0,0,0,0|2,0,0]=4 6857 B10R0.1 CCNC(=O)NCCCCO 2708a_100000750430_100015525214 [1,1,0,0,0,0|2,0,0]=4 6858 B10R0.1 CCNC(=O)NCCCCO 2708a_100015525214_100000750430 [1,1,0,0,0,0|2,0,0]=4 6859 B10R0.1 CCNC(=O)NCCCCO 273464a_100000750430_100015525214 [1,1,0,0,0,0|2,0,0]=4 6860 B10R0.1 CCNC(=O)NCCCCO 273464a_100015525214_100000750430 [1,1,0,0,0,0|2,0,0]=4 6861 B10R0.1 CCNC(=O)NCCCCO 512a_100000750430_100015525214 [1,1,0,0,0,0|2,0,0]=4 6862 B10R0.1 CCNC(=O)NCCCCO 512a_100015525214_100000750430 [1,1,0,0,0,0|2,0,0]=4 6863 B10R0.1 CCNC(=O)NCCCOC 2708a_100015525214_100150723488 [1,1,0,0,0,0|2,0,0]=4 6864 B10R0.1 CCNC(=O)NCCCOC 2708a_100150723488_100015525214 [1,1,0,0,0,0|2,0,0]=4 6865 B10R0.1 CCNC(=O)NCCCOC 273464a_100015525214_100150723488 [1,1,0,0,0,0|2,0,0]=4 6866 B10R0.1 CCNC(=O)NCCCOC 273464a_100150723488_100015525214 [1,1,0,0,0,0|2,0,0]=4 6867 B10R0.1 CCNC(=O)NCCCOC 512a_100015525214_100150723488 [1,1,0,0,0,0|2,0,0]=4 6868 B10R0.1 CCNC(=O)NCCCSC 2708a_100000749238_100015525214 [1,1,0,0,0,0|2,0,0]=4 6869 B10R0.1 CCNC(=O)NCCCSC 2708a_100015525214_100000749238 [1,1,0,0,0,0|2,0,0]=4 6870 B10R0.1 CCNC(=O)NCCCSC 273464a_100000749238_100015525214 [1,1,0,0,0,0|2,0,0]=4 6871 B10R0.1 CCNC(=O)NCCCSC 273464a_100015525214_100000749238 [1,1,0,0,0,0|2,0,0]=4 6872 B10R0.1 CCNC(=O)NCCCSC 512a_100000749238_100015525214 [1,1,0,0,0,0|2,0,0]=4 6873 B10R0.1 CCNC(=O)NCCCSC 512a_100015525214_100000749238 [1,1,0,0,0,0|2,0,0]=4 6874 B10R0.1 CCNC(=O)NCCOCC 2708a_100011200944_100015525214 [1,1,0,0,0,0|2,0,0]=4 6875 B10R0.1 CCNC(=O)NCCOCC 2708a_100015525214_100011200944 [1,1,0,0,0,0|2,0,0]=4 6876 B10R0.1 CCNC(=O)NCCOCC 273464a_100015525214_102516460346 [1,1,0,0,0,0|2,0,0]=4 6877 B10R0.1 CCNC(=O)NCCOCC 273464a_102516460346_100015525214 [1,1,0,0,0,0|2,0,0]=4 6878 B10R0.1 CCNC(=O)NCCOCC 512a_100011200944_100015525214 [1,1,0,0,0,0|2,0,0]=4 6879 B10R0.1 CCNC(=O)NCCOCC 512a_100015525214_100011200944 [1,1,0,0,0,0|2,0,0]=4 6880 B10R0.1 CCNC(=O)NCCSCC 2708a_100000106463_100015525214 [1,1,0,0,0,0|2,0,0]=4 6881 B10R0.1 CCNC(=O)NCCSCC 2708a_100015525214_100000106463 [1,1,0,0,0,0|2,0,0]=4 6882 B10R0.1 CCNC(=O)NCCSCC 273464a_100000106463_100015525214 [1,1,0,0,0,0|2,0,0]=4 6883 B10R0.1 CCNC(=O)NCCSCC 273464a_100015525214_100000106463 [1,1,0,0,0,0|2,0,0]=4 6884 B10R0.1 CCNC(=O)NCCSCC 512a_100000106463_100015525214 [1,1,0,0,0,0|2,0,0]=4 6885 B10R0.1 CCNC(=O)NCCSCC 512a_100015525214_100000106463 [1,1,0,0,0,0|2,0,0]=4 6886 B10R0.1 CCNCCCC(=O)OCC 2230a_100015525214_100009991533 [1,1,0,0,0,0|2,0,0]=4 6887 B10R0.1 CCOC(=O)CCCCNC 2230a_106832991635_100000750268 [1,1,0,0,0,0|2,0,0]=4 6888 B10R0.1 CCOC(=O)CCCCNC 34a_100102657272_100000750268 [1,1,0,0,0,0|2,0,0]=4 6889 B10R0.1 CCOC(=O)CCCCNC 7a_106832991635_100000750268 [1,1,0,0,0,0|2,0,0]=4 6890 B10R0.1 CCOC(=O)CCCCOC 34a_100138415774_100000750268 [1,1,0,0,0,0|2,0,0]=4 6891 B10R0.1 CCOC(=O)CCCCSC 62a_100000750268_200000210301 [1,1,0,0,0,0|2,0,0]=4 6892 B10R0.1 CCOC(=O)CCCCSC 62a_200000210301_100000750268 [1,1,0,0,0,0|2,0,0]=4 6893 B10R0.1 CCOC(=O)CCCCS[13CH3] 62a_100000750268_200025704644 [1,1,0,0,0,0|2,0,0]=4 6894 B10R0.1 CCOC(=O)CCCCS[13CH3] 62a_200025704644_100000750268 [1,1,0,0,0,0|2,0,0]=4 6895 B10R0.1 CCOC(=O)CCCSCC 62a_100000210202_100009991533 [1,1,0,0,0,0|2,0,0]=4 6896 B10R0.1 CCOC(=O)CCCSCC 62a_100009991533_100000210202 [1,1,0,0,0,0|2,0,0]=4 6897 B10R0.1 CCOC(=O)COCCCBr 34a_100011217188_100000188475 [1,1,0,0,0,0|2,0,0]=4 6898 B10R0.1 CCOC(=O)COCCCCl 34a_100000230001_100000188475 [1,1,0,0,0,0|2,0,0]=4 6899 B10R0.1 CCOC(=O)COCCCF 34a_100000759539_100000188475 [1,1,0,0,0,0|2,0,0]=4 6900 B10R0.1 CCOC(=O)COCCCN 34a_100000182051_100000188475 [1,1,0,0,0,0|2,0,0]=4 6901 B10R0.1 CCOC(=O)COCCNC 2230a_106832991635_100000088970 [1,1,0,0,0,0|2,0,0]=4 6902 B10R0.1 CCOC(=O)COCCNC 34a_100102657272_100000088970 [1,1,0,0,0,0|2,0,0]=4 6903 B10R0.1 CCOC(=O)COCCNC 7a_106832991635_100000088970 [1,1,0,0,0,0|2,0,0]=4 6904 B10R0.1 CCOC(=O)COCCOC 34a_100000210237_100000188475 [1,1,0,0,0,0|2,0,0]=4 6905 B10R0.1 CCOC(=O)COCCOC 34a_100138415774_100000088970 [1,1,0,0,0,0|2,0,0]=4 6906 B10R0.1 CCOC(=O)COCCSC 34a_100000230434_100000188475 [1,1,0,0,0,0|2,0,0]=4 6907 B10R0.1 CCOC(=O)COCCSC 62a_100000088970_200000210301 [1,1,0,0,0,0|2,0,0]=4 6908 B10R0.1 CCOC(=O)COCCSC 62a_200000210301_100000088970 [1,1,0,0,0,0|2,0,0]=4 6909 B10R0.1 CCOC(=O)COCCSC 7a_100000230434_100000188475 [1,1,0,0,0,0|2,0,0]=4 6910 B10R0.1 CCOC(=O)COCCS[13CH3] 62a_100000088970_200025704644 [1,1,0,0,0,0|2,0,0]=4 6911 B10R0.1 CCOC(=O)COCCS[13CH3] 62a_200025704644_100000088970 [1,1,0,0,0,0|2,0,0]=4 6912 B10R0.1 CCOC(=O)NCCSCC 62a_100000210202_200011445536 [1,1,0,0,0,0|2,0,0]=4 6913 B10R0.1 CCOC(=O)OCSCCF 62a_100011217306_100000075025 [1,1,0,0,0,0|2,0,0]=4 6914 B10R0.1 CCOC(=O)OCSCCO 62a_100000211926_100000075025 [1,1,0,0,0,0|2,0,0]=4 6915 B10R0.1 CCOC(=O)OCSCOC 62a_100000766300_100000075025 [1,1,0,0,0,0|2,0,0]=4 6916 B10R0.1 CCOC(=O)OCSCSC 62a_100011218213_100000075025 [1,1,0,0,0,0|2,0,0]=4 6917 B10R0.1 CCOCCCC(=O)CCO 1458a_100011216618_100012232248 [1,1,0,0,0,0|2,0,0]=4 6918 B10R0.1 CCOCCCC(=O)COC 1458a_100000210968_100012232248 [1,1,0,0,0,0|2,0,0]=4 6919 B10R0.1 CCOCCCC(=O)CSC 1458a_100000184570_100012232248 [1,1,0,0,0,0|2,0,0]=4 6920 B10R0.1 CCOCCCC(=O)OCC 34a_100121572206_100009991533 [1,1,0,0,0,0|2,0,0]=4 6921 B10R0.1 CCOCCCC(=O)OCC 7a_100012001163_100000210202 [1,1,0,0,0,0|2,0,0]=4 6922 B10R0.1 CCOCCNC(=O)CCO 240690a_100011200944_100011216618 [1,1,0,0,0,0|2,0,0]=4 6923 B10R0.1 CCOCCNC(=O)COC 11a_100011200944_100000210968 [1,1,0,0,0,0|2,0,0]=4 6924 B10R0.1 CCOCCNC(=O)COC 1626a_102516460346_100000210968 [1,1,0,0,0,0|2,0,0]=4 6925 B10R0.1 CCOCCNC(=O)COC 240690a_100011200944_100000210968 [1,1,0,0,0,0|2,0,0]=4 6926 B10R0.1 CCOCCNC(=O)COC 527a_100011200944_100000210968 [1,1,0,0,0,0|2,0,0]=4 6927 B10R0.1 CCOCCNC(=O)CSC 11a_100011200944_100000184570 [1,1,0,0,0,0|2,0,0]=4 6928 B10R0.1 CCOCCNC(=O)CSC 1626a_102516460346_100000184570 [1,1,0,0,0,0|2,0,0]=4 6929 B10R0.1 CCOCCNC(=O)CSC 240690a_100011200944_100000184570 [1,1,0,0,0,0|2,0,0]=4 6930 B10R0.1 CCOCCNC(=O)CSC 527a_100011200944_100000184570 [1,1,0,0,0,0|2,0,0]=4 6931 B10R0.1 CCOCCNC(=O)OCC 34a_100000158857_100000210202 [1,1,0,0,0,0|2,0,0]=4 6932 B10R0.1 CCOCCOC(=O)CNC 2230a_106832991635_200000101388 [1,1,0,0,0,0|1,0,0]=3 6933 B10R0.1 CCOCCOC(=O)CNC 34a_100102657272_200000101388 [1,1,0,0,0,0|1,0,0]=3 6934 B10R0.1 CCOCCOC(=O)CNC 7a_106832991635_200000101388 [1,1,0,0,0,0|1,0,0]=3 6935 B10R0.1 CCOCCOC(=O)COC 34a_100138415774_200000101388 [1,1,0,0,0,0|1,0,0]=3 6936 B10R0.1 CCOCCOC(=O)CSC 62a_200000101388_200000210301 [1,1,0,0,0,0|1,0,0]=3 6937 B10R0.1 CCOCCOC(=O)CSC 62a_200000210301_200000101388 [1,1,0,0,0,0|1,0,0]=3 6938 B10R0.1 CCOCCOC(=O)CS[13CH3] 62a_200000101388_200025704644 [1,1,0,0,0,0|1,0,0]=3 6939 B10R0.1 CCOCCOC(=O)CS[13CH3] 62a_200025704644_200000101388 [1,1,0,0,0,0|1,0,0]=3 6940 B10R0.1 CCSCCNC(=O)CCO 240690a_100000106463_100011216618 [1,1,0,0,0,0|2,0,0]=4 6941 B10R0.1 CCSCCNC(=O)COC 11a_100000106463_100000210968 [1,1,0,0,0,0|2,0,0]=4 6942 B10R0.1 CCSCCNC(=O)COC 1626a_100000106463_100000210968 [1,1,0,0,0,0|2,0,0]=4 6943 B10R0.1 CCSCCNC(=O)COC 240690a_100000106463_100000210968 [1,1,0,0,0,0|2,0,0]=4 6944 B10R0.1 CCSCCNC(=O)COC 527a_100000106463_100000210968 [1,1,0,0,0,0|2,0,0]=4 6945 B10R0.1 CCSCCNC(=O)CSC 11a_100000106463_100000184570 [1,1,0,0,0,0|2,0,0]=4 6946 B10R0.1 CCSCCNC(=O)CSC 1626a_100000106463_100000184570 [1,1,0,0,0,0|2,0,0]=4 6947 B10R0.1 CCSCCNC(=O)CSC 240690a_100000106463_100000184570 [1,1,0,0,0,0|2,0,0]=4 6948 B10R0.1 CCSCCNC(=O)CSC 527a_100000106463_100000184570 [1,1,0,0,0,0|2,0,0]=4 6949 B10R0.1 CNCC(=O)NCCCOC 2230a_106832991635_100000183178 [1,1,0,0,0,0|2,0,0]=4 6950 B10R0.1 CNCC(=O)NCCCOC 34a_100102657272_100000183178 [1,1,0,0,0,0|2,0,0]=4 6951 B10R0.1 CNCC(=O)NCCCOC 7a_106832991635_100000183178 [1,1,0,0,0,0|2,0,0]=4 6952 B10R0.1 COCC(=O)CCCCCF 1458a_100000210968_100000729378 [1,1,0,0,0,0|2,0,0]=4 6953 B10R0.1 COCC(=O)CCCCCO 1458a_100000210968_100000746330 [1,1,0,0,0,0|2,0,0]=4 6954 B10R0.1 COCC(=O)NCCCCO 240690a_100000750430_100000210968 [1,1,0,0,0,0|2,0,0]=4 6955 B10R0.1 COCC(=O)NCCCCO 527a_100000750430_100000210968 [1,1,0,0,0,0|2,0,0]=4 6956 B10R0.1 COCC(=O)NCCCSC 11a_100000749238_100000210968 [1,1,0,0,0,0|2,0,0]=4 6957 B10R0.1 COCC(=O)NCCCSC 1626a_100000749238_100000210968 [1,1,0,0,0,0|2,0,0]=4 6958 B10R0.1 COCC(=O)NCCCSC 240690a_100000749238_100000210968 [1,1,0,0,0,0|2,0,0]=4 6959 B10R0.1 COCC(=O)NCCCSC 527a_100000749238_100000210968 [1,1,0,0,0,0|2,0,0]=4 6960 B10R0.1 COCCCCC(=O)CCO 1458a_100011216618_100000755781 [1,1,0,0,0,0|2,0,0]=4 6961 B10R0.1 COCCCCC(=O)COC 1458a_100000210968_100000755781 [1,1,0,0,0,0|2,0,0]=4 6962 B10R0.1 COCCCCC(=O)CSC 1458a_100000184570_100000755781 [1,1,0,0,0,0|2,0,0]=4 6963 B10R0.1 COCCCNC(=O)CCO 240690a_100150723488_100011216618 [1,1,0,0,0,0|2,0,0]=4 6964 B10R0.1 COCCCNC(=O)COC 1626a_100150723488_100000210968 [1,1,0,0,0,0|2,0,0]=4 6965 B10R0.1 COCCCNC(=O)COC 240690a_100150723488_100000210968 [1,1,0,0,0,0|2,0,0]=4 6966 B10R0.1 COCCCNC(=O)COC 34a_100138415774_100000183178 [1,1,0,0,0,0|2,0,0]=4 6967 B10R0.1 COCCCNC(=O)COC 527a_100150723488_100000210968 [1,1,0,0,0,0|2,0,0]=4 6968 B10R0.1 COCCCNC(=O)CSC 1626a_100150723488_100000184570 [1,1,0,0,0,0|2,0,0]=4 6969 B10R0.1 COCCCNC(=O)CSC 240690a_100150723488_100000184570 [1,1,0,0,0,0|2,0,0]=4 6970 B10R0.1 COCCCNC(=O)CSC 527a_100150723488_100000184570 [1,1,0,0,0,0|2,0,0]=4 6971 B10R0.1 COCCCNC(=O)CSC 62a_100000183178_200000210301 [1,1,0,0,0,0|2,0,0]=4 6972 B10R0.1 COCCCNC(=O)CS[13CH3] 62a_100000183178_200025704644 [1,1,0,0,0,0|2,0,0]=4 6973 B10R0.1 COCCOCC(=O)CCF 1458a_100000211095_100011217306 [1,1,0,0,0,0|2,0,0]=4 6974 B10R0.1 COCCOCC(=O)CCO 1458a_100000211095_100000211926 [1,1,0,0,0,0|2,0,0]=4 6975 B10R0.1 CSCC(=O)CCCCCF 1458a_100000184570_100000729378 [1,1,0,0,0,0|2,0,0]=4 6976 B10R0.1 CSCC(=O)CCCCCO 1458a_100000184570_100000746330 [1,1,0,0,0,0|2,0,0]=4 6977 B10R0.1 CSCC(=O)NCCCCO 240690a_100000750430_100000184570 [1,1,0,0,0,0|2,0,0]=4 6978 B10R0.1 CSCC(=O)NCCCCO 527a_100000750430_100000184570 [1,1,0,0,0,0|2,0,0]=4 6979 B10R0.1 CSCCCNC(=O)CCO 240690a_100000749238_100011216618 [1,1,0,0,0,0|2,0,0]=4 6980 B10R0.1 CSCCCNC(=O)CSC 11a_100000749238_100000184570 [1,1,0,0,0,0|2,0,0]=4 6981 B10R0.1 CSCCCNC(=O)CSC 1626a_100000749238_100000184570 [1,1,0,0,0,0|2,0,0]=4 6982 B10R0.1 CSCCCNC(=O)CSC 240690a_100000749238_100000184570 [1,1,0,0,0,0|2,0,0]=4 6983 B10R0.1 CSCCCNC(=O)CSC 527a_100000749238_100000184570 [1,1,0,0,0,0|2,0,0]=4 6984 B10R0.1 O=C(CCF)CCCCCO 1458a_100102619762_100011217306 [1,1,0,0,0,0|2,0,0]=4 6985 B10R0.1 O=C(CCO)CCCCCF 1458a_100011216618_100000729378 [1,1,0,0,0,0|2,0,0]=4 6986 B10R0.1 O=C(CCO)CCCCCO 1458a_100011216618_100000746330 [1,1,0,0,0,0|2,0,0]=4 6987 B10R0.1 O=C(CCO)CCCCCO 1458a_100102619762_100000211926 [1,1,0,0,0,0|2,0,0]=4 6988 B10R0.1 O=C(CCO)NCCCCO 240690a_100000750430_100011216618 [1,1,0,0,0,0|2,0,0]=4 6989 B10R0.2 C=C(CCC)CC(=O)CCC 1458a_100000138376_100000210303 [1,1,0,0,0,0|1,0,1]=4 6990 B10R0.2 CCCC(=O)C=C(C)CCC 1458a_100020676950_100000210303 [1,1,0,0,0,0|1,0,1]=4 6991 B10R0.2 CCCC(=O)CC(=O)CCC 1458a_100000211992_100000747444 [1,1,0,0,0,0|1,0,1]=4 6992 B10R0.2 CCCC(=O)CC(C)CCC 1458a_100000211992_100011216630 [1,1,0,0,0,0|1,0,0]=3 6993 B10R0.2 CCCC(=O)CC(C)CCC 1458a_100000748435_100000210303 [1,1,0,0,0,0|1,0,0]=3 6994 B10R0.2 CCCC(=O)CC(C)SCC 1458a_200011311441_100000210303 [1,1,0,0,0,0|2,0,0]=4 6995 B10R0.2 CCCC(=O)CN(C)CCC 2230a_100000747261_100000747444 [1,1,0,0,0,0|2,0,0]=4 6996 B10R0.2 CCCC(=O)CN(C)CCC 269982a_100000747261_100000747444 [1,1,0,0,0,0|2,0,0]=4 6997 B10R0.2 CCCC(=O)CS(=O)CCC 1458a_100011387404_100000210303 [1,1,0,0,0,0|2,0,0]=4 6998 B10R0.2 CCCC(=O)NC(C)CCC 11a_100000741246_100000211992 [1,1,0,0,0,0|1,0,0]=3 6999 B10R0.2 CCCC(=O)NC(C)CCC 1626a_100000741246_100000211992 [1,1,0,0,0,0|1,0,0]=3 7000 B10R0.2 CCCC(=O)NC(C)CCC 240690a_100000741246_100000211992 [1,1,0,0,0,0|1,0,0]=3 7001 B10R0.2 CCCC(=O)NC(C)CCC 527a_100000741246_100000211992 [1,1,0,0,0,0|1,0,0]=3 7002 B10R0.2 CCCC(=O)N[C@H](C)CCO 240690a_100000706166_100000211992 [1,1,0,0,0,0|2,0,0]=4 7003 B10R0.2 CCCC(=O)N[C@H](C)CCO 527a_100000706166_100000211992 [1,1,0,0,0,0|2,0,0]=4 7004 B10R0.2 CCCC(=O)N[C@H](C)COC 11a_100000764878_100000211992 [1,1,0,0,0,0|2,0,0]=4 7005 B10R0.2 CCCC(=O)N[C@H](C)COC 1626a_100000764878_100000211992 [1,1,0,0,0,0|2,0,0]=4 7006 B10R0.2 CCCC(=O)N[C@H](C)COC 240690a_100000764878_100000211992 [1,1,0,0,0,0|2,0,0]=4 7007 B10R0.2 CCCC(=O)N[C@H](C)COC 527a_100000764878_100000211992 [1,1,0,0,0,0|2,0,0]=4 7008 B10R0.2 CCCC(C)CC(=O)CCF 1458a_100000748435_100011217306 [1,1,0,0,0,0|2,0,0]=4 7009 B10R0.2 CCCC(C)CC(=O)CCO 1458a_100000748435_100000211926 [1,1,0,0,0,0|2,0,0]=4 7010 B10R0.2 CCCC(C)CC(=O)CCO 1458a_100011216618_100011216630 [1,1,0,0,0,0|2,0,0]=4 7011 B10R0.2 CCCC(C)CC(=O)COC 1458a_100000210968_100011216630 [1,1,0,0,0,0|2,0,0]=4 7012 B10R0.2 CCCC(C)CC(=O)CSC 1458a_100000184570_100011216630 [1,1,0,0,0,0|2,0,0]=4 7013 B10R0.2 CCCC(C)CC(=O)NCC 11a_100015525214_100000748435 [1,1,0,0,0,0|2,0,0]=4 7014 B10R0.2 CCCC(C)CC(=O)NCC 240690a_100015525214_100000748435 [1,1,0,0,0,0|2,0,0]=4 7015 B10R0.2 CCCC(C)CC(=O)NCC 527a_100015525214_100000748435 [1,1,0,0,0,0|2,0,0]=4 7016 B10R0.2 CCCC(C)NC(=O)CCO 240690a_100000741246_100011216618 [1,1,0,0,0,0|2,0,0]=4 7017 B10R0.2 CCCC(C)NC(=O)COC 11a_100000741246_100000210968 [1,1,0,0,0,0|2,0,0]=4 7018 B10R0.2 CCCC(C)NC(=O)COC 1626a_100000741246_100000210968 [1,1,0,0,0,0|2,0,0]=4 7019 B10R0.2 CCCC(C)NC(=O)COC 240690a_100000741246_100000210968 [1,1,0,0,0,0|2,0,0]=4 7020 B10R0.2 CCCC(C)NC(=O)COC 527a_100000741246_100000210968 [1,1,0,0,0,0|2,0,0]=4 7021 B10R0.2 CCCC(C)NC(=O)CSC 11a_100000741246_100000184570 [1,1,0,0,0,0|2,0,0]=4 7022 B10R0.2 CCCC(C)NC(=O)CSC 1626a_100000741246_100000184570 [1,1,0,0,0,0|2,0,0]=4 7023 B10R0.2 CCCC(C)NC(=O)CSC 240690a_100000741246_100000184570 [1,1,0,0,0,0|2,0,0]=4 7024 B10R0.2 CCCC(C)NC(=O)CSC 527a_100000741246_100000184570 [1,1,0,0,0,0|2,0,0]=4 7025 B10R0.2 CCCC(C)NC(=O)NCC 2708a_100000741246_100015525214 [1,1,0,0,0,0|2,0,0]=4 7026 B10R0.2 CCCC(C)NC(=O)NCC 2708a_100015525214_100000741246 [1,1,0,0,0,0|2,0,0]=4 7027 B10R0.2 CCCC(C)NC(=O)NCC 273464a_100000741246_100015525214 [1,1,0,0,0,0|2,0,0]=4 7028 B10R0.2 CCCC(C)NC(=O)NCC 512a_100000741246_100015525214 [1,1,0,0,0,0|2,0,0]=4 7029 B10R0.2 CCCC(C)NC(=O)NCC 512a_100015525214_100000741246 [1,1,0,0,0,0|2,0,0]=4 7030 B10R0.2 CCCC(C)OC(C)CCC 34a_100000764384_100000766640 [1,1,0,0,0,0|1,0,1]=4 7031 B10R0.2 CCCC(C)OC(C)CCC 7a_100000764384_100000766640 [1,1,0,0,0,0|1,0,1]=4 7032 B10R0.2 CCOC(=O)OC(C)SCC 62a_100000036008_100000210202 [1,1,0,0,0,0|2,0,0]=4 7033 B10R0.2 CCOC(=O)OC(C)SCC 62a_100000210202_100000036008 [1,1,0,0,0,0|2,0,0]=4 7034 B10R0.19 CCC/C=C(\C)/C(=O)CCC 1458a_200020648666_100000210303 [1,1,0,0,0,0|1,0,1]=4 7035 B10R0.19 CCCC(=O)C(O)CCSC 1458a_100000685904_100000210303 [1,1,0,0,0,0|2,0,0]=4 7036 B10R0.19 CCCC(=O)N(C)CCCO 240690a_100000213112_100000211992 [1,1,0,0,0,0|2,0,0]=4 7037 B10R0.19 CCCC(=O)N(C)CCCO 527a_100000213112_100000211992 [1,1,0,0,0,0|2,0,0]=4 7038 B10R0.19 CCCC(=O)N(C)CCOC 11a_100000743101_100000211992 [1,1,0,0,0,0|2,0,0]=4 7039 B10R0.19 CCCC(=O)N(C)CCOC 1626a_100000743101_100000211992 [1,1,0,0,0,0|2,0,0]=4 7040 B10R0.19 CCCC(=O)N(C)CCOC 240690a_100000743101_100000211992 [1,1,0,0,0,0|2,0,0]=4 7041 B10R0.19 CCCC(=O)N(C)CCOC 527a_100000743101_100000211992 [1,1,0,0,0,0|2,0,0]=4 7042 B10R0.19 CCCC(=O)N(C)CCSC 11a_100000686725_100000211992 [1,1,0,0,0,0|2,0,0]=4 7043 B10R0.19 CCCC(=O)N(C)CCSC 1626a_100000686725_100000211992 [1,1,0,0,0,0|2,0,0]=4 7044 B10R0.19 CCCC(=O)N(C)CCSC 240690a_100000686725_100000211992 [1,1,0,0,0,0|2,0,0]=4 7045 B10R0.19 CCCC(=O)N(C)CCSC 527a_100000686725_100000211992 [1,1,0,0,0,0|2,0,0]=4 7046 B10R0.19 CCCCC(=O)C(=O)NCC 1458a_200011297158_100000210211 [1,1,0,0,0,0|2,0,0]=4 7047 B10R0.19 CCCCC(C)C(=O)CCC 1458a_100000211992_200011215066 [1,1,0,0,0,0|1,0,0]=3 7048 B10R0.19 CCCCC(C)C(=O)CCC 1458a_100000725509_100000210303 [1,1,0,0,0,0|1,0,0]=3 7049 B10R0.19 CCCCC(C)C(=O)CCF 1458a_100000725509_100011217306 [1,1,0,0,0,0|2,0,0]=4 7050 B10R0.19 CCCCC(C)C(=O)CCO 1458a_100000725509_100000211926 [1,1,0,0,0,0|2,0,0]=4 7051 B10R0.19 CCCCC(C)C(=O)CCO 1458a_100011216618_200011215066 [1,1,0,0,0,0|2,0,0]=4 7052 B10R0.19 CCCCC(C)C(=O)COC 1458a_100000210968_200011215066 [1,1,0,0,0,0|2,0,0]=4 7053 B10R0.19 CCCCC(C)C(=O)CSC 1458a_100000184570_200011215066 [1,1,0,0,0,0|2,0,0]=4 7054 B10R0.19 CCCCC(C)C(=O)NCC 11a_100015525214_100000725509 [1,1,0,0,0,0|2,0,0]=4 7055 B10R0.19 CCCCC(C)C(=O)NCC 240690a_100015525214_100000725509 [1,1,0,0,0,0|2,0,0]=4 7056 B10R0.19 CCCCC(C)C(=O)NCC 527a_100015525214_100000725509 [1,1,0,0,0,0|2,0,0]=4 7057 B10R0.19 CCCCC(O)C(=O)CCC 1458a_100000720857_100000210303 [1,1,0,0,0,0|1,0,0]=3 7058 B10R0.19 CCCCC(O)C(=O)CCF 1458a_100000720857_100011217306 [1,1,0,0,0,0|2,0,0]=4 7059 B10R0.19 CCCCC(O)C(=O)CCO 1458a_100000720857_100000211926 [1,1,0,0,0,0|2,0,0]=4 7060 B10R0.19 CCCCC(O)C(=O)NCC 240690a_100015525214_100000720857 [1,1,0,0,0,0|2,0,0]=4 7061 B10R0.19 CCCCC(O)C(=O)NCC 527a_100015525214_100000720857 [1,1,0,0,0,0|2,0,0]=4 7062 B10R0.19 CCCCN(C)C(=O)CCC 11a_100000207549_100000211992 [1,1,0,0,0,0|1,0,0]=3 7063 B10R0.19 CCCCN(C)C(=O)CCC 1626a_100000207549_100000211992 [1,1,0,0,0,0|1,0,0]=3 7064 B10R0.19 CCCCN(C)C(=O)CCC 240690a_100000207549_100000211992 [1,1,0,0,0,0|1,0,0]=3 7065 B10R0.19 CCCCN(C)C(=O)CCC 527a_100000207549_100000211992 [1,1,0,0,0,0|1,0,0]=3 7066 B10R0.19 CCCCN(C)C(=O)CCO 240690a_100000207549_100011216618 [1,1,0,0,0,0|2,0,0]=4 7067 B10R0.19 CCCCN(C)C(=O)CNC 2230a_106832991635_100000230175 [1,1,0,0,0,0|2,0,0]=4 7068 B10R0.19 CCCCN(C)C(=O)CNC 34a_100102657272_100000230175 [1,1,0,0,0,0|2,0,0]=4 7069 B10R0.19 CCCCN(C)C(=O)CNC 7a_106832991635_100000230175 [1,1,0,0,0,0|2,0,0]=4 7070 B10R0.19 CCCCN(C)C(=O)COC 11a_100000207549_100000210968 [1,1,0,0,0,0|2,0,0]=4 7071 B10R0.19 CCCCN(C)C(=O)COC 1626a_100000207549_100000210968 [1,1,0,0,0,0|2,0,0]=4 7072 B10R0.19 CCCCN(C)C(=O)COC 240690a_100000207549_100000210968 [1,1,0,0,0,0|2,0,0]=4 7073 B10R0.19 CCCCN(C)C(=O)COC 34a_100138415774_100000230175 [1,1,0,0,0,0|2,0,0]=4 7074 B10R0.19 CCCCN(C)C(=O)COC 527a_100000207549_100000210968 [1,1,0,0,0,0|2,0,0]=4 7075 B10R0.19 CCCCN(C)C(=O)CSC 11a_100000207549_100000184570 [1,1,0,0,0,0|2,0,0]=4 7076 B10R0.19 CCCCN(C)C(=O)CSC 1626a_100000207549_100000184570 [1,1,0,0,0,0|2,0,0]=4 7077 B10R0.19 CCCCN(C)C(=O)CSC 240690a_100000207549_100000184570 [1,1,0,0,0,0|2,0,0]=4 7078 B10R0.19 CCCCN(C)C(=O)CSC 527a_100000207549_100000184570 [1,1,0,0,0,0|2,0,0]=4 7079 B10R0.19 CCCCN(C)C(=O)CSC 62a_100000230175_200000210301 [1,1,0,0,0,0|2,0,0]=4 7080 B10R0.19 CCCCN(C)C(=O)CSC 62a_200000210301_100000230175 [1,1,0,0,0,0|2,0,0]=4 7081 B10R0.19 CCCCN(C)C(=O)CS[13CH3] 62a_100000230175_200025704644 [1,1,0,0,0,0|2,0,0]=4 7082 B10R0.19 CCCCN(C)C(=O)CS[13CH3] 62a_200025704644_100000230175 [1,1,0,0,0,0|2,0,0]=4 7083 B10R0.19 CCCCN(C)C(=O)NCC 2708a_100015525214_100000207549 [1,1,0,0,0,0|2,0,0]=4 7084 B10R0.19 CCCCN(C)C(=O)NCC 273464a_100015525214_100000207549 [1,1,0,0,0,0|2,0,0]=4 7085 B10R0.19 CCCNC(=O)C(=O)CCC 1458a_200011297150_100000210303 [1,1,0,0,0,0|2,0,0]=4 7086 B10R0.24 C#CC(CCC)OCCCC 34a_200011217317_100000210210 [1,1,0,0,0,0|1,0,1]=4 7087 B10R0.24 C#CC(CCC)OCCCC 7a_200011217317_100000210211 [1,1,0,0,0,0|1,0,1]=4 7088 B10R0.24 C=CC(CCC)OCCCC 34a_100011216692_100000210210 [1,1,0,0,0,0|1,0,1]=4 7089 B10R0.24 C=CC(CCC)OCCCC 7a_100011216692_100000210211 [1,1,0,0,0,0|1,0,1]=4 7090 B10R0.24 CCCCOC(C#N)CCC 34a_100000686963_100000210210 [1,1,0,0,0,0|1,0,1]=4 7091 B10R0.24 CCCCOC(C#N)CCC 7a_100000686963_100000210211 [1,1,0,0,0,0|1,0,1]=4 7092 B10R0.24 CCCCOC(CC)CCC 34a_100000687864_100000210210 [1,1,0,0,0,0|1,0,1]=4 7093 B10R0.24 CCCCOC(CC)CCC 7a_100000210227_100011219200 [1,1,0,0,0,0|1,0,1]=4 7094 B10R0.24 CCCCOC(CC)CCC 7a_100000687864_100000210211 [1,1,0,0,0,0|1,0,1]=4 7095 B10R0.83 CCC(C)C(=O)CCCCF 1458a_100011192722_100000729493 [1,1,0,0,0,0|2,0,0]=4 7096 B10R0.83 CCC(C)C(=O)CCCCO 1458a_100000695505_100000758301 [1,1,0,0,0,0|2,0,0]=4 7097 B10R0.83 CCC(C)C(=O)CCCCO 1458a_100011192722_100000210776 [1,1,0,0,0,0|2,0,0]=4 7098 B10R0.83 CCC(C)C(=O)CCCOC 1458a_100000741012_100000758301 [1,1,0,0,0,0|2,0,0]=4 7099 B10R0.83 CCC(C)C(=O)CCCOC 1458a_100011192722_100000740836 [1,1,0,0,0,0|2,0,0]=4 7100 B10R0.83 CCC(C)C(=O)CCCSC 1458a_100000173376_100000758301 [1,1,0,0,0,0|2,0,0]=4 7101 B10R0.83 CCC(C)C(=O)NCCCF 11a_100015189416_100011192722 [1,1,0,0,0,0|2,0,0]=4 7102 B10R0.83 CCC(C)C(=O)NCCCF 1626a_100015189416_100011192722 [1,1,0,0,0,0|2,0,0]=4 7103 B10R0.83 CCC(C)C(=O)NCCCF 240690a_100015189416_100011192722 [1,1,0,0,0,0|2,0,0]=4 7104 B10R0.83 CCC(C)C(=O)NCCCF 527a_100015189416_100011192722 [1,1,0,0,0,0|2,0,0]=4 7105 B10R0.83 CCC(C)C(=O)NCCCO 240690a_100000182051_100011192722 [1,1,0,0,0,0|2,0,0]=4 7106 B10R0.83 CCC(C)C(=O)NCCCO 527a_100000182051_100011192722 [1,1,0,0,0,0|2,0,0]=4 7107 B10R0.83 CCC(C)C(=O)NCCOC 1626a_100000209980_100011192722 [1,1,0,0,0,0|2,0,0]=4 7108 B10R0.83 CCC(C)C(=O)NCCOC 240690a_100000209980_100011192722 [1,1,0,0,0,0|2,0,0]=4 7109 B10R0.83 CCC(C)C(=O)NCCOC 527a_100000209980_100011192722 [1,1,0,0,0,0|2,0,0]=4 7110 B10R0.83 CCC(C)C(=O)NCCSC 11a_100020590264_100011192722 [1,1,0,0,0,0|2,0,0]=4 7111 B10R0.83 CCC(C)C(=O)NCCSC 1626a_100020590264_100011192722 [1,1,0,0,0,0|2,0,0]=4 7112 B10R0.83 CCC(C)C(=O)NCCSC 240690a_100020590264_100011192722 [1,1,0,0,0,0|2,0,0]=4 7113 B10R0.83 CCC(C)C(=O)NCCSC 527a_100020590264_100011192722 [1,1,0,0,0,0|2,0,0]=4 7114 B10R0.83 CCC(O)C(=O)CCCCF 1458a_100011196387_100000729493 [1,1,0,0,0,0|2,0,0]=4 7115 B10R0.83 CCC(O)C(=O)CCCCO 1458a_100011196387_100000210776 [1,1,0,0,0,0|2,0,0]=4 7116 B10R0.83 CCC(O)C(=O)CCCOC 1458a_100011196387_100000740836 [1,1,0,0,0,0|2,0,0]=4 7117 B10R0.83 CCC(O)C(=O)NCCCF 240690a_100015189416_100011196387 [1,1,0,0,0,0|2,0,0]=4 7118 B10R0.83 CCC(O)C(=O)NCCCO 240690a_100000182051_100011196387 [1,1,0,0,0,0|2,0,0]=4 7119 B10R0.83 CCC(O)C(=O)NCCOC 240690a_100000209980_100011196387 [1,1,0,0,0,0|2,0,0]=4 7120 B10R0.83 CCC(O)C(=O)NCCSC 240690a_100020590264_100011196387 [1,1,0,0,0,0|2,0,0]=4 7121 B10R0.83 CCCC#CC(=O)C(C)CC 1458a_200011218047_100000758301 [1,1,0,0,0,0|1,0,1]=4 7122 B10R0.83 CCCC=CC(=O)C(C)CC 1458a_100000212230_100000758301 [1,1,0,0,0,0|1,0,1]=4 7123 B10R0.83 CCCCCC(=O)C(C)CC 1458a_100000212188_100000758301 [1,1,0,0,0,0|1,0,0]=3 7124 B10R0.83 CCCCCC(=O)C(C)CC 1458a_100011192722_100000210326 [1,1,0,0,0,0|1,0,0]=3 7125 B10R0.83 CCCCCC(=O)C(C)OC 1458a_100000743197_100000210326 [1,1,0,0,0,0|2,0,0]=4 7126 B10R0.83 CCCCCC(=O)C(C)SC 1458a_100000149566_100000210326 [1,1,0,0,0,0|2,0,0]=4 7127 B10R0.83 CCCCCC(=O)C(O)CC 1458a_100011196387_100000210326 [1,1,0,0,0,0|1,0,0]=3 7128 B10R0.83 CCCCCC(=O)C(O)CO 1458a_100011215603_100000210326 [1,1,0,0,0,0|2,0,0]=4 7129 B10R0.83 CCCCCC(=O)N(C)CC 11a_100000225621_100000212188 [1,1,0,0,0,0|2,0,0]=4 7130 B10R0.83 CCCCCC(=O)N(C)CC 1626a_100000225621_100000212188 [1,1,0,0,0,0|2,0,0]=4 7131 B10R0.83 CCCCCC(=O)N(C)CC 240690a_100000225621_100000212188 [1,1,0,0,0,0|2,0,0]=4 7132 B10R0.83 CCCCCC(=O)N(C)CC 527a_100000225621_100000212188 [1,1,0,0,0,0|2,0,0]=4 7133 B10R0.83 CCCCNC(=O)C(C)CC 11a_100000102301_100011192722 [1,1,0,0,0,0|1,0,0]=3 7134 B10R0.83 CCCCNC(=O)C(C)CC 1626a_100000102301_100011192722 [1,1,0,0,0,0|1,0,0]=3 7135 B10R0.83 CCCCNC(=O)C(C)CC 240690a_100000102301_100011192722 [1,1,0,0,0,0|1,0,0]=3 7136 B10R0.83 CCCCNC(=O)C(C)CC 527a_100000102301_100011192722 [1,1,0,0,0,0|1,0,0]=3 7137 B10R0.83 CCCCNC(=O)C(C)NC 2230a_106832991635_100000735917 [1,1,0,0,0,0|2,0,0]=4 7138 B10R0.83 CCCCNC(=O)C(C)NC 34a_100102657272_100000735917 [1,1,0,0,0,0|2,0,0]=4 7139 B10R0.83 CCCCNC(=O)C(C)NC 7a_106832991635_100000735917 [1,1,0,0,0,0|2,0,0]=4 7140 B10R0.83 CCCCNC(=O)C(C)OC 11a_100000102301_100000743197 [1,1,0,0,0,0|2,0,0]=4 7141 B10R0.83 CCCCNC(=O)C(C)OC 1626a_100000102301_100000743197 [1,1,0,0,0,0|2,0,0]=4 7142 B10R0.83 CCCCNC(=O)C(C)OC 240690a_100000102301_100000743197 [1,1,0,0,0,0|2,0,0]=4 7143 B10R0.83 CCCCNC(=O)C(C)OC 34a_100138415774_100000735917 [1,1,0,0,0,0|2,0,0]=4 7144 B10R0.83 CCCCNC(=O)C(C)OC 527a_100000102301_100000743197 [1,1,0,0,0,0|2,0,0]=4 7145 B10R0.83 CCCCNC(=O)C(C)SC 11a_100000102301_100000149566 [1,1,0,0,0,0|2,0,0]=4 7146 B10R0.83 CCCCNC(=O)C(C)SC 1626a_100000102301_100000149566 [1,1,0,0,0,0|2,0,0]=4 7147 B10R0.83 CCCCNC(=O)C(C)SC 240690a_100000102301_100000149566 [1,1,0,0,0,0|2,0,0]=4 7148 B10R0.83 CCCCNC(=O)C(C)SC 527a_100000102301_100000149566 [1,1,0,0,0,0|2,0,0]=4 7149 B10R0.83 CCCCNC(=O)C(C)SC 62a_100000735917_200000210301 [1,1,0,0,0,0|2,0,0]=4 7150 B10R0.83 CCCCNC(=O)C(C)SC 62a_200000210301_100000735917 [1,1,0,0,0,0|2,0,0]=4 7151 B10R0.83 CCCCNC(=O)C(C)S[13CH3] 62a_100000735917_200025704644 [1,1,0,0,0,0|2,0,0]=4 7152 B10R0.83 CCCCNC(=O)C(C)S[13CH3] 62a_200025704644_100000735917 [1,1,0,0,0,0|2,0,0]=4 7153 B10R0.83 CCCCNC(=O)C(O)CC 240690a_100000102301_100011196387 [1,1,0,0,0,0|1,0,0]=3 7154 B10R0.83 CCCCNC(=O)C(O)CO 240690a_100000102301_100011215603 [1,1,0,0,0,0|2,0,0]=4 7155 B10R0.83 CCCCNC(=O)N(C)CC 2708a_100000102301_100000225621 [1,1,0,0,0,0|2,0,0]=4 7156 B10R0.83 CCCCNC(=O)N(C)CC 273464a_100000102301_100000225621 [1,1,0,0,0,0|2,0,0]=4 7157 B10R0.83 CCCCOC(=O)C(C)NC 2230a_106832991635_100000759602 [1,1,0,0,0,0|1,0,0]=3 7158 B10R0.83 CCCCOC(=O)C(C)NC 34a_100102657272_100000759602 [1,1,0,0,0,0|1,0,0]=3 7159 B10R0.83 CCCCOC(=O)C(C)NC 7a_106832991635_100000759602 [1,1,0,0,0,0|1,0,0]=3 7160 B10R0.83 CCCCOC(=O)C(C)OC 34a_100000038973_200000210301 [1,1,0,0,0,0|1,0,0]=3 7161 B10R0.83 CCCCOC(=O)C(C)OC 34a_100138415774_100000759602 [1,1,0,0,0,0|1,0,0]=3 7162 B10R0.83 CCCCOC(=O)C(C)OC 7a_100000038973_200000210301 [1,1,0,0,0,0|1,0,0]=3 7163 B10R0.83 CCCCOC(=O)C(C)O[13CH3] 34a_100000038973_200025704644 [1,1,0,0,0,0|1,0,0]=3 7164 B10R0.83 CCCCOC(=O)C(C)O[13CH3] 7a_100000038973_200025704644 [1,1,0,0,0,0|1,0,0]=3 7165 B10R0.83 CCCCOC(=O)C(C)SC 62a_100000759602_200000210301 [1,1,0,0,0,0|1,0,0]=3 7166 B10R0.83 CCCCOC(=O)C(C)SC 62a_200000210301_100000759602 [1,1,0,0,0,0|1,0,0]=3 7167 B10R0.83 CCCCOC(=O)C(C)S[13CH3] 62a_100000759602_200025704644 [1,1,0,0,0,0|1,0,0]=3 7168 B10R0.83 CCCCOC(=O)C(C)S[13CH3] 62a_200025704644_100000759602 [1,1,0,0,0,0|1,0,0]=3 7169 B10R0.83 CCCCOC(C)C(C)CC 7a_100011215189_100000210211 [1,1,0,0,0,0|1,0,1]=4 7170 B10R0.83 CCCNNC(=O)C(C)CC 22a_100000740057_100011192722 [1,1,0,0,0,0|2,0,0]=4 7171 B10R0.83 CCCNNC(=O)C(O)CC 22a_100000740057_100011196387 [1,1,0,0,0,0|2,0,0]=4 7172 B10R0.83 CCCOCC(=O)C(C)CC 1458a_100000745993_100000758301 [1,1,0,0,0,0|2,0,0]=4 7173 B10R0.83 CCCSCC(=O)C(C)CC 1458a_100000217233_100000758301 [1,1,0,0,0,0|2,0,0]=4 7174 B10R0.83 CCOCCC(=O)C(C)CC 1458a_100000749530_100000758301 [1,1,0,0,0,0|2,0,0]=4 7175 B10R0.83 CCOCCC(=O)C(C)CC 1458a_100011192722_100011215890 [1,1,0,0,0,0|2,0,0]=4 7176 B10R0.83 CCOCCC(=O)C(O)CC 1458a_100011196387_100011215890 [1,1,0,0,0,0|2,0,0]=4 7177 B10R0.83 CCSCCC(=O)C(C)CC 1458a_100000230768_100000758301 [1,1,0,0,0,0|2,0,0]=4 7178 B10R0.83 CCSCCC(=O)C(C)CC 1458a_100011192722_100000757381 [1,1,0,0,0,0|2,0,0]=4 7179 B10R0.83 CCSCCC(=O)C(O)CC 1458a_100011196387_100000757381 [1,1,0,0,0,0|2,0,0]=4 7180 B10R0.91 C#CCCC(=O)CCCCC 1458a_100000212188_100000753159 [1,1,0,0,0,0|1,0,1]=4 7181 B10R0.91 C#CCCC(=O)CCCCC 1458a_100000692101_100000210326 [1,1,0,0,0,0|1,0,1]=4 7182 B10R0.91 C#CCCC(=O)NCCCC 11a_100000102301_100000692101 [1,1,0,0,0,0|1,0,1]=4 7183 B10R0.91 C#CCCC(=O)NCCCC 1626a_100000102301_100000692101 [1,1,0,0,0,0|1,0,1]=4 7184 B10R0.91 C#CCCC(=O)NCCCC 240690a_100000102301_100000692101 [1,1,0,0,0,0|1,0,1]=4 7185 B10R0.91 C#CCCC(=O)NCCCC 527a_100000102301_100000692101 [1,1,0,0,0,0|1,0,1]=4 7186 B10R0.91 C/C=C/CC(=O)CCCCC 1458a_100000212188_100102629194 [1,1,0,0,0,0|1,0,1]=4 7187 B10R0.91 C=CCCC(=O)CCCCC 1458a_100000212188_100000754431 [1,1,0,0,0,0|1,0,1]=4 7188 B10R0.91 C=CCCC(=O)CCCCC 1458a_100000749702_100000210326 [1,1,0,0,0,0|1,0,1]=4 7189 B10R0.91 C=CCCC(=O)NCCCC 11a_100000102301_100000749702 [1,1,0,0,0,0|1,0,1]=4 7190 B10R0.91 C=CCCC(=O)NCCCC 1626a_100000102301_100000749702 [1,1,0,0,0,0|1,0,1]=4 7191 B10R0.91 C=CCCC(=O)NCCCC 240690a_100000102301_100000749702 [1,1,0,0,0,0|1,0,1]=4 7192 B10R0.91 C=CCCC(=O)NCCCC 527a_100000102301_100000749702 [1,1,0,0,0,0|1,0,1]=4 7193 B10R0.91 CC#CCC(=O)CCCCC 1458a_100000212188_100000748600 [1,1,0,0,0,0|1,0,1]=4 7194 B10R0.91 CC=CCC(=O)CCCCC 1458a_100000212188_100000070051 [1,1,0,0,0,0|1,0,1]=4 7195 B10R0.91 CC=CCC(=O)CCCCC 1458a_100121576822_100000210326 [1,1,0,0,0,0|1,0,1]=4 7196 B10R0.91 CC=CCC(=O)NCCCC 11a_100000102301_100121576822 [1,1,0,0,0,0|1,0,1]=4 7197 B10R0.91 CC=CCC(=O)NCCCC 1626a_100000102301_100121576822 [1,1,0,0,0,0|1,0,1]=4 7198 B10R0.91 CC=CCC(=O)NCCCC 240690a_100000102301_100121576822 [1,1,0,0,0,0|1,0,1]=4 7199 B10R0.91 CC=CCC(=O)NCCCC 527a_100000102301_100121576822 [1,1,0,0,0,0|1,0,1]=4 7200 B10R0.91 CCC#CC(=O)CCCCC 1458a_100011827653_100000210326 [1,1,0,0,0,0|1,0,1]=4 7201 B10R0.91 CCC=CC(=O)CCCCC 1458a_100000212282_100000210326 [1,1,0,0,0,0|1,0,1]=4 7202 B10R0.91 CCC=CC(=O)NCCCC 11a_100000102301_100000212282 [1,1,0,0,0,0|1,0,1]=4 7203 B10R0.91 CCC=CC(=O)NCCCC 1626a_100000102301_100000212282 [1,1,0,0,0,0|1,0,1]=4 7204 B10R0.91 CCC=CC(=O)NCCCC 240690a_100000102301_100000212282 [1,1,0,0,0,0|1,0,1]=4 7205 B10R0.91 CCCC#CC(=O)CCCC 1458a_200011218047_100000210211 [1,1,0,0,0,0|1,0,1]=4 7206 B10R0.91 CCCC#CC(=O)CCCF 1458a_200011218047_100011934791 [1,1,0,0,0,0|1,0,1]=4 7207 B10R0.91 CCCC#CC(=O)CCCO 1458a_200011218047_100011215043 [1,1,0,0,0,0|1,0,1]=4 7208 B10R0.91 CCCC#CC(=O)CCOC 1458a_200011218047_100000233755 [1,1,0,0,0,0|1,0,1]=4 7209 B10R0.91 CCCC#CC(=O)CCSC 1458a_200011218047_100000751147 [1,1,0,0,0,0|1,0,1]=4 7210 B10R0.91 CCCC#CC(=O)NCCC 240690a_100020643023_200011218047 [1,1,0,0,0,0|1,0,1]=4 7211 B10R0.91 CCCC=CC(=O)CCCC 1458a_100000212230_100000210211 [1,1,0,0,0,0|1,0,1]=4 7212 B10R0.91 CCCC=CC(=O)CCCF 1458a_100000212230_100011934791 [1,1,0,0,0,0|1,0,1]=4 7213 B10R0.91 CCCC=CC(=O)CCCO 1458a_100000212230_100011215043 [1,1,0,0,0,0|1,0,1]=4 7214 B10R0.91 CCCC=CC(=O)CCOC 1458a_100000212230_100000233755 [1,1,0,0,0,0|1,0,1]=4 7215 B10R0.91 CCCC=CC(=O)CCSC 1458a_100000212230_100000751147 [1,1,0,0,0,0|1,0,1]=4 7216 B10R0.91 CCCC=CC(=O)NCCC 11a_100020643023_100000212230 [1,1,0,0,0,0|1,0,1]=4 7217 B10R0.91 CCCC=CC(=O)NCCC 1626a_100020643023_100000212230 [1,1,0,0,0,0|1,0,1]=4 7218 B10R0.91 CCCC=CC(=O)NCCC 240690a_100020643023_100000212230 [1,1,0,0,0,0|1,0,1]=4 7219 B10R0.91 CCCCC(=O)CCCCF 1458a_100000210183_100000729493 [1,1,0,0,0,0|2,0,0]=4 7220 B10R0.91 CCCCC(=O)CCCCO 1458a_100000210183_100000210776 [1,1,0,0,0,0|2,0,0]=4 7221 B10R0.91 CCCCC(=O)CCCCO 1458a_100000695505_100000210211 [1,1,0,0,0,0|2,0,0]=4 7222 B10R0.91 CCCCC(=O)CCCOC 1458a_100000210183_100000740836 [1,1,0,0,0,0|2,0,0]=4 7223 B10R0.91 CCCCC(=O)CCCOC 1458a_100000741012_100000210211 [1,1,0,0,0,0|2,0,0]=4 7224 B10R0.91 CCCCC(=O)CCCSC 1458a_100000173376_100000210211 [1,1,0,0,0,0|2,0,0]=4 7225 B10R0.91 CCCCC(=O)CCOCC 1458a_100000210183_100011215890 [1,1,0,0,0,0|2,0,0]=4 7226 B10R0.91 CCCCC(=O)CCOCC 1458a_100000749530_100000210211 [1,1,0,0,0,0|2,0,0]=4 7227 B10R0.91 CCCCC(=O)CCSCC 1458a_100000210183_100000757381 [1,1,0,0,0,0|2,0,0]=4 7228 B10R0.91 CCCCC(=O)CCSCC 1458a_100000230768_100000210211 [1,1,0,0,0,0|2,0,0]=4 7229 B10R0.91 CCCCC(=O)COCCC 1458a_100000745993_100000210211 [1,1,0,0,0,0|2,0,0]=4 7230 B10R0.91 CCCCC(=O)CSCCC 1458a_100000217233_100000210211 [1,1,0,0,0,0|2,0,0]=4 7231 B10R0.91 CCCCC(=O)NCCCF 11a_100015189416_100000210183 [1,1,0,0,0,0|2,0,0]=4 7232 B10R0.91 CCCCC(=O)NCCCF 1626a_100015189416_100000210183 [1,1,0,0,0,0|2,0,0]=4 7233 B10R0.91 CCCCC(=O)NCCCF 240690a_100015189416_100000210183 [1,1,0,0,0,0|2,0,0]=4 7234 B10R0.91 CCCCC(=O)NCCCF 527a_100015189416_100000210183 [1,1,0,0,0,0|2,0,0]=4 7235 B10R0.91 CCCCC(=O)NCCCO 240690a_100000182051_100000210183 [1,1,0,0,0,0|2,0,0]=4 7236 B10R0.91 CCCCC(=O)NCCCO 527a_100000182051_100000210183 [1,1,0,0,0,0|2,0,0]=4 7237 B10R0.91 CCCCC(=O)NCCOC 1626a_100000209980_100000210183 [1,1,0,0,0,0|2,0,0]=4 7238 B10R0.91 CCCCC(=O)NCCOC 240690a_100000209980_100000210183 [1,1,0,0,0,0|2,0,0]=4 7239 B10R0.91 CCCCC(=O)NCCOC 527a_100000209980_100000210183 [1,1,0,0,0,0|2,0,0]=4 7240 B10R0.91 CCCCC(=O)NCCSC 11a_100020590264_100000210183 [1,1,0,0,0,0|2,0,0]=4 7241 B10R0.91 CCCCC(=O)NCCSC 1626a_100020590264_100000210183 [1,1,0,0,0,0|2,0,0]=4 7242 B10R0.91 CCCCC(=O)NCCSC 240690a_100020590264_100000210183 [1,1,0,0,0,0|2,0,0]=4 7243 B10R0.91 CCCCC(=O)NCCSC 527a_100020590264_100000210183 [1,1,0,0,0,0|2,0,0]=4 7244 B10R0.91 CCCCC(=O)NNCCC 22a_100000740057_100000210183 [1,1,0,0,0,0|2,0,0]=4 7245 B10R0.91 CCCCCC(=O)CCC#N 1458a_100000212188_100011215226 [1,1,0,0,0,0|1,0,1]=4 7246 B10R0.91 CCCCCC(=O)CCC#N 1458a_100011934036_100000210326 [1,1,0,0,0,0|1,0,1]=4 7247 B10R0.91 CCCCCC(=O)CCCC 1458a_100000210183_100000210326 [1,1,0,0,0,0|1,0,0]=3 7248 B10R0.91 CCCCCC(=O)CCCC 1458a_100000212188_100000210211 [1,1,0,0,0,0|1,0,0]=3 7249 B10R0.91 CCCCCC(=O)CCCF 1458a_100000212188_100011934791 [1,1,0,0,0,0|1,0,0]=3 7250 B10R0.91 CCCCCC(=O)CCCO 1458a_100000212188_100011215043 [1,1,0,0,0,0|1,0,0]=3 7251 B10R0.91 CCCCCC(=O)CCOC 1458a_100000212188_100000233755 [1,1,0,0,0,0|1,0,0]=3 7252 B10R0.91 CCCCCC(=O)CCOC 1458a_100000749529_100000210326 [1,1,0,0,0,0|1,0,0]=3 7253 B10R0.91 CCCCCC(=O)CCSC 1458a_100000174002_100000210326 [1,1,0,0,0,0|1,0,0]=3 7254 B10R0.91 CCCCCC(=O)CCSC 1458a_100000212188_100000751147 [1,1,0,0,0,0|1,0,0]=3 7255 B10R0.91 CCCCCC(=O)CNCC 2230a_100015525214_200012276598 [1,1,0,0,0,0|1,0,0]=3 7256 B10R0.91 CCCCCC(=O)COCC 1458a_100000211967_100000210326 [1,1,0,0,0,0|1,0,0]=3 7257 B10R0.91 CCCCCC(=O)COCC 34a_100121572206_200012276598 [1,1,0,0,0,0|1,0,0]=3 7258 B10R0.91 CCCCCC(=O)CSCC 1458a_100000230394_100000210326 [1,1,0,0,0,0|1,0,0]=3 7259 B10R0.91 CCCCCC(=O)CSCC 62a_100000210202_200012276598 [1,1,0,0,0,0|1,0,0]=3 7260 B10R0.91 CCCCCC(=O)CSCC 62a_200012276598_100000210202 [1,1,0,0,0,0|1,0,0]=3 7261 B10R0.91 CCCCCC(=O)CSCF 62a_100015361967_200012276598 [1,1,0,0,0,0|2,0,0]=4 7262 B10R0.91 CCCCCC(=O)CSCF 62a_200012276598_100015361967 [1,1,0,0,0,0|2,0,0]=4 7263 B10R0.91 CCCCCC(=O)NCCC 11a_100020643023_100000212188 [1,1,0,0,0,0|1,0,0]=3 7264 B10R0.91 CCCCCC(=O)NCCC 1626a_100020643023_100000212188 [1,1,0,0,0,0|1,0,0]=3 7265 B10R0.91 CCCCCC(=O)NCCC 240690a_100020643023_100000212188 [1,1,0,0,0,0|1,0,0]=3 7266 B10R0.91 CCCCCC(=O)NCCC 527a_100020643023_100000212188 [1,1,0,0,0,0|1,0,0]=3 7267 B10R0.91 CCCCCC(=O)NCCF 11a_100000724931_100000212188 [1,1,0,0,0,0|2,0,0]=4 7268 B10R0.91 CCCCCC(=O)NCCF 1626a_100000724931_100000212188 [1,1,0,0,0,0|2,0,0]=4 7269 B10R0.91 CCCCCC(=O)NCCF 240690a_100000724931_100000212188 [1,1,0,0,0,0|2,0,0]=4 7270 B10R0.91 CCCCCC(=O)NCCF 527a_100000724931_100000212188 [1,1,0,0,0,0|2,0,0]=4 7271 B10R0.91 CCCCCC(=O)NCCO 240690a_100000210304_100000212188 [1,1,0,0,0,0|2,0,0]=4 7272 B10R0.91 CCCCCC(=O)NCCO 527a_100000210304_100000212188 [1,1,0,0,0,0|2,0,0]=4 7273 B10R0.91 CCCCCC(=O)NNCC 22a_100000756455_100000212188 [1,1,0,0,0,0|2,0,0]=4 7274 B10R0.91 CCCCNC(=O)CCC#N 11a_100000102301_100011934036 [1,1,0,0,0,0|1,0,1]=4 7275 B10R0.91 CCCCNC(=O)CCC#N 1626a_100000102301_100011934036 [1,1,0,0,0,0|1,0,1]=4 7276 B10R0.91 CCCCNC(=O)CCC#N 240690a_100000102301_100011934036 [1,1,0,0,0,0|1,0,1]=4 7277 B10R0.91 CCCCNC(=O)CCC#N 527a_100000102301_100011934036 [1,1,0,0,0,0|1,0,1]=4 7278 B10R0.91 CCCCNC(=O)CCCC 11a_100000102301_100000210183 [1,1,0,0,0,0|1,0,0]=3 7279 B10R0.91 CCCCNC(=O)CCCC 1626a_100000102301_100000210183 [1,1,0,0,0,0|1,0,0]=3 7280 B10R0.91 CCCCNC(=O)CCCC 240690a_100000102301_100000210183 [1,1,0,0,0,0|1,0,0]=3 7281 B10R0.91 CCCCNC(=O)CCCC 527a_100000102301_100000210183 [1,1,0,0,0,0|1,0,0]=3 7282 B10R0.91 CCCCNC(=O)CCOC 11a_100000102301_100000749529 [1,1,0,0,0,0|1,0,0]=3 7283 B10R0.91 CCCCNC(=O)CCOC 1626a_100000102301_100000749529 [1,1,0,0,0,0|1,0,0]=3 7284 B10R0.91 CCCCNC(=O)CCOC 240690a_100000102301_100000749529 [1,1,0,0,0,0|1,0,0]=3 7285 B10R0.91 CCCCNC(=O)CCOC 527a_100000102301_100000749529 [1,1,0,0,0,0|1,0,0]=3 7286 B10R0.91 CCCCNC(=O)CCSC 11a_100000102301_100000174002 [1,1,0,0,0,0|1,0,0]=3 7287 B10R0.91 CCCCNC(=O)CCSC 1626a_100000102301_100000174002 [1,1,0,0,0,0|1,0,0]=3 7288 B10R0.91 CCCCNC(=O)CCSC 240690a_100000102301_100000174002 [1,1,0,0,0,0|1,0,0]=3 7289 B10R0.91 CCCCNC(=O)CCSC 527a_100000102301_100000174002 [1,1,0,0,0,0|1,0,0]=3 7290 B10R0.91 CCCCNC(=O)CNCC 2230a_100015525214_100000182744 [1,1,0,0,0,0|1,0,0]=3 7291 B10R0.91 CCCCNC(=O)COCC 11a_100000102301_100000211967 [1,1,0,0,0,0|1,0,0]=3 7292 B10R0.91 CCCCNC(=O)COCC 1626a_100000102301_100000211967 [1,1,0,0,0,0|1,0,0]=3 7293 B10R0.91 CCCCNC(=O)COCC 240690a_100000102301_100000211967 [1,1,0,0,0,0|1,0,0]=3 7294 B10R0.91 CCCCNC(=O)COCC 34a_100121572206_100000182744 [1,1,0,0,0,0|1,0,0]=3 7295 B10R0.91 CCCCNC(=O)COCC 527a_100000102301_100000211967 [1,1,0,0,0,0|1,0,0]=3 7296 B10R0.91 CCCCNC(=O)CSCC 11a_100000102301_100000230394 [1,1,0,0,0,0|1,0,0]=3 7297 B10R0.91 CCCCNC(=O)CSCC 1626a_100000102301_100000230394 [1,1,0,0,0,0|1,0,0]=3 7298 B10R0.91 CCCCNC(=O)CSCC 240690a_100000102301_100000230394 [1,1,0,0,0,0|1,0,0]=3 7299 B10R0.91 CCCCNC(=O)CSCC 527a_100000102301_100000230394 [1,1,0,0,0,0|1,0,0]=3 7300 B10R0.91 CCCCNC(=O)CSCC 62a_100000182744_100000210202 [1,1,0,0,0,0|1,0,0]=3 7301 B10R0.91 CCCCNC(=O)CSCC 62a_100000210202_100000182744 [1,1,0,0,0,0|1,0,0]=3 7302 B10R0.91 CCCCNC(=O)CSCF 62a_100000182744_100015361967 [1,1,0,0,0,0|2,0,0]=4 7303 B10R0.91 CCCCNC(=O)CSCF 62a_100015361967_100000182744 [1,1,0,0,0,0|2,0,0]=4 7304 B10R0.91 CCCCNC(=O)NCCC 2708a_100000102301_100020643023 [1,1,0,0,0,0|1,0,0]=3 7305 B10R0.91 CCCCNC(=O)NCCC 2708a_100020643023_100000102301 [1,1,0,0,0,0|1,0,0]=3 7306 B10R0.91 CCCCNC(=O)NCCC 273464a_100000102301_100020643023 [1,1,0,0,0,0|1,0,0]=3 7307 B10R0.91 CCCCNC(=O)NCCC 273464a_100020643023_100000102301 [1,1,0,0,0,0|1,0,0]=3 7308 B10R0.91 CCCCNC(=O)NCCC 512a_100000102301_100020643023 [1,1,0,0,0,0|1,0,0]=3 7309 B10R0.91 CCCCNC(=O)NCCC 512a_100020643023_100000102301 [1,1,0,0,0,0|1,0,0]=3 7310 B10R0.91 CCCCNC(=O)NCCF 2708a_100000102301_100000724931 [1,1,0,0,0,0|2,0,0]=4 7311 B10R0.91 CCCCNC(=O)NCCF 273464a_100000102301_100000724931 [1,1,0,0,0,0|2,0,0]=4 7312 B10R0.91 CCCCNC(=O)NCCF 273464a_100000724931_100000102301 [1,1,0,0,0,0|2,0,0]=4 7313 B10R0.91 CCCCNC(=O)NCCF 512a_100000102301_100000724931 [1,1,0,0,0,0|2,0,0]=4 7314 B10R0.91 CCCCNC(=O)NCCO 2708a_100000102301_100000210304 [1,1,0,0,0,0|2,0,0]=4 7315 B10R0.91 CCCCNC(=O)NCCO 273464a_100000102301_100000210304 [1,1,0,0,0,0|2,0,0]=4 7316 B10R0.91 CCCCNC(=O)NCCO 273464a_100000210304_100000102301 [1,1,0,0,0,0|2,0,0]=4 7317 B10R0.91 CCCCNC(=O)NCCO 512a_100000102301_100000210304 [1,1,0,0,0,0|2,0,0]=4 7318 B10R0.91 CCCCNC(=O)NNCC 273464a_100000102301_100000756455 [1,1,0,0,0,0|2,0,0]=4 7319 B10R0.91 CCCCNC(=O)NNCC 512a_100000102301_100000756455 [1,1,0,0,0,0|2,0,0]=4 7320 B10R0.91 CCCCNC(=O)NNCC 512a_100000756455_100000102301 [1,1,0,0,0,0|2,0,0]=4 7321 B10R0.91 CCCCOC(=O)CNCC 2230a_100015525214_100000211628 [1,1,0,0,0,0|0,0,0]=2 7322 B10R0.91 CCCCOC(=O)COCC 34a_100121572206_100000211628 [1,1,0,0,0,0|0,0,0]=2 7323 B10R0.91 CCCCOC(=O)CSCC 62a_100000210202_100000211628 [1,1,0,0,0,0|0,0,0]=2 7324 B10R0.91 CCCCOC(=O)CSCC 62a_100000211628_100000210202 [1,1,0,0,0,0|0,0,0]=2 7325 B10R0.91 CCCCOC(=O)CSCF 62a_100000211628_100015361967 [1,1,0,0,0,0|1,0,0]=3 7326 B10R0.91 CCCCOC(=O)CSCF 62a_100015361967_100000211628 [1,1,0,0,0,0|1,0,0]=3 7327 B10R0.91 CCCCOC(C)CCCC 34a_100000210227_200011215066 [1,1,0,0,0,0|1,0,1]=4 7328 B10R0.91 CCCCOC(C)CCCC 34a_100000687866_100000210210 [1,1,0,0,0,0|1,0,1]=4 7329 B10R0.91 CCCCOC(C)CCCC 7a_100000210227_200011215066 [1,1,0,0,0,0|1,0,1]=4 7330 B10R0.91 CCCCOC(C)CCCC 7a_100000687866_100000210211 [1,1,0,0,0,0|1,0,1]=4 7331 B10R0.91 CCCCOC(C)CCCCl 34a_200000718107_100000210210 [1,1,0,0,0,0|1,0,1]=4 7332 B10R0.91 CCCCOC(C)CCCCl 7a_200000718107_100000210211 [1,1,0,0,0,0|1,0,1]=4 7333 B10R0.91 CCCCOC(C)COCC 34a_100000718985_100000210210 [1,1,0,0,0,0|1,0,1]=4 7334 B10R0.91 CCCCOC(C)COCC 7a_100000718985_100000210211 [1,1,0,0,0,0|1,0,1]=4 7335 B10R0.91 CCCNC(=O)CCCCO 1626a_100020643023_100000695505 [1,1,0,0,0,0|2,0,0]=4 7336 B10R0.91 CCCNC(=O)CCCNC 2230a_106832991635_100011194427 [1,1,0,0,0,0|2,0,0]=4 7337 B10R0.91 CCCNC(=O)CCCNC 7a_106832991635_100011194427 [1,1,0,0,0,0|2,0,0]=4 7338 B10R0.91 CCCNC(=O)CCCOC 11a_100020643023_100000741012 [1,1,0,0,0,0|2,0,0]=4 7339 B10R0.91 CCCNC(=O)CCCOC 1626a_100020643023_100000741012 [1,1,0,0,0,0|2,0,0]=4 7340 B10R0.91 CCCNC(=O)CCCOC 240690a_100020643023_100000741012 [1,1,0,0,0,0|2,0,0]=4 7341 B10R0.91 CCCNC(=O)CCCOC 527a_100020643023_100000741012 [1,1,0,0,0,0|2,0,0]=4 7342 B10R0.91 CCCNC(=O)CCCSC 11a_100020643023_100000173376 [1,1,0,0,0,0|2,0,0]=4 7343 B10R0.91 CCCNC(=O)CCCSC 1626a_100020643023_100000173376 [1,1,0,0,0,0|2,0,0]=4 7344 B10R0.91 CCCNC(=O)CCCSC 240690a_100020643023_100000173376 [1,1,0,0,0,0|2,0,0]=4 7345 B10R0.91 CCCNC(=O)CCCSC 527a_100020643023_100000173376 [1,1,0,0,0,0|2,0,0]=4 7346 B10R0.91 CCCNC(=O)CCCSC 62a_100011194427_200000210301 [1,1,0,0,0,0|2,0,0]=4 7347 B10R0.91 CCCNC(=O)CCCSC 62a_200000210301_100011194427 [1,1,0,0,0,0|2,0,0]=4 7348 B10R0.91 CCCNC(=O)CCCS[13CH3] 62a_100011194427_200025704644 [1,1,0,0,0,0|2,0,0]=4 7349 B10R0.91 CCCNC(=O)CCCS[13CH3] 62a_200025704644_100011194427 [1,1,0,0,0,0|2,0,0]=4 7350 B10R0.91 CCCNC(=O)CCOCC 11a_100020643023_100000749530 [1,1,0,0,0,0|2,0,0]=4 7351 B10R0.91 CCCNC(=O)CCOCC 1626a_100020643023_100000749530 [1,1,0,0,0,0|2,0,0]=4 7352 B10R0.91 CCCNC(=O)CCOCC 240690a_100020643023_100000749530 [1,1,0,0,0,0|2,0,0]=4 7353 B10R0.91 CCCNC(=O)CCOCC 527a_100020643023_100000749530 [1,1,0,0,0,0|2,0,0]=4 7354 B10R0.91 CCCNC(=O)CCSCC 11a_100020643023_100000230768 [1,1,0,0,0,0|2,0,0]=4 7355 B10R0.91 CCCNC(=O)CCSCC 1626a_100020643023_100000230768 [1,1,0,0,0,0|2,0,0]=4 7356 B10R0.91 CCCNC(=O)CCSCC 240690a_100020643023_100000230768 [1,1,0,0,0,0|2,0,0]=4 7357 B10R0.91 CCCNC(=O)CCSCC 527a_100020643023_100000230768 [1,1,0,0,0,0|2,0,0]=4 7358 B10R0.91 CCCNC(=O)COCCC 11a_100020643023_100000745993 [1,1,0,0,0,0|2,0,0]=4 7359 B10R0.91 CCCNC(=O)COCCC 1626a_100020643023_100000745993 [1,1,0,0,0,0|2,0,0]=4 7360 B10R0.91 CCCNC(=O)COCCC 240690a_100020643023_100000745993 [1,1,0,0,0,0|2,0,0]=4 7361 B10R0.91 CCCNC(=O)COCCC 34a_100000210258_100000183358 [1,1,0,0,0,0|2,0,0]=4 7362 B10R0.91 CCCNC(=O)COCCC 527a_100020643023_100000745993 [1,1,0,0,0,0|2,0,0]=4 7363 B10R0.91 CCCNC(=O)CSCCC 11a_100020643023_100000217233 [1,1,0,0,0,0|2,0,0]=4 7364 B10R0.91 CCCNC(=O)CSCCC 1626a_100020643023_100000217233 [1,1,0,0,0,0|2,0,0]=4 7365 B10R0.91 CCCNC(=O)CSCCC 240690a_100020643023_100000217233 [1,1,0,0,0,0|2,0,0]=4 7366 B10R0.91 CCCNC(=O)CSCCC 527a_100020643023_100000217233 [1,1,0,0,0,0|2,0,0]=4 7367 B10R0.91 CCCNC(=O)CSCCC 62a_100000183358_100000210303 [1,1,0,0,0,0|2,0,0]=4 7368 B10R0.91 CCCNC(=O)CSCCC 62a_100000210303_100000183358 [1,1,0,0,0,0|2,0,0]=4 7369 B10R0.91 CCCNC(=O)NCCCF 2708a_100015189416_100020643023 [1,1,0,0,0,0|2,0,0]=4 7370 B10R0.91 CCCNC(=O)NCCCF 2708a_100020643023_100015189416 [1,1,0,0,0,0|2,0,0]=4 7371 B10R0.91 CCCNC(=O)NCCCF 273464a_100015189416_100020643023 [1,1,0,0,0,0|2,0,0]=4 7372 B10R0.91 CCCNC(=O)NCCCF 273464a_100020643023_100015189416 [1,1,0,0,0,0|2,0,0]=4 7373 B10R0.91 CCCNC(=O)NCCCF 512a_100015189416_100020643023 [1,1,0,0,0,0|2,0,0]=4 7374 B10R0.91 CCCNC(=O)NCCCF 512a_100020643023_100015189416 [1,1,0,0,0,0|2,0,0]=4 7375 B10R0.91 CCCNC(=O)NCCCO 2708a_100020643023_100000182051 [1,1,0,0,0,0|2,0,0]=4 7376 B10R0.91 CCCNC(=O)NCCCO 273464a_100000182051_100020643023 [1,1,0,0,0,0|2,0,0]=4 7377 B10R0.91 CCCNC(=O)NCCCO 273464a_100020643023_100000182051 [1,1,0,0,0,0|2,0,0]=4 7378 B10R0.91 CCCNC(=O)NCCCO 512a_100020643023_100000182051 [1,1,0,0,0,0|2,0,0]=4 7379 B10R0.91 CCCNC(=O)NCCOC 2708a_100020643023_100000209980 [1,1,0,0,0,0|2,0,0]=4 7380 B10R0.91 CCCNC(=O)NCCOC 273464a_100000209980_100020643023 [1,1,0,0,0,0|2,0,0]=4 7381 B10R0.91 CCCNC(=O)NCCOC 273464a_100020643023_100000209980 [1,1,0,0,0,0|2,0,0]=4 7382 B10R0.91 CCCNC(=O)NCCSC 2708a_100020590264_100020643023 [1,1,0,0,0,0|2,0,0]=4 7383 B10R0.91 CCCNC(=O)NCCSC 2708a_100020643023_100020590264 [1,1,0,0,0,0|2,0,0]=4 7384 B10R0.91 CCCNC(=O)NCCSC 273464a_100020590264_100020643023 [1,1,0,0,0,0|2,0,0]=4 7385 B10R0.91 CCCNC(=O)NCCSC 273464a_100020643023_100020590264 [1,1,0,0,0,0|2,0,0]=4 7386 B10R0.91 CCCNC(=O)NCCSC 512a_100020590264_100020643023 [1,1,0,0,0,0|2,0,0]=4 7387 B10R0.91 CCCNC(=O)NCCSC 512a_100020643023_100020590264 [1,1,0,0,0,0|2,0,0]=4 7388 B10R0.91 CCCNCC(=O)NCCC 2230a_100000174927_100000210303 [1,1,0,0,0,0|2,0,0]=4 7389 B10R0.91 CCCNNC(=O)CCOC 22a_100000740057_100000749529 [1,1,0,0,0,0|2,0,0]=4 7390 B10R0.91 CCCNNC(=O)CCSC 22a_100000740057_100000174002 [1,1,0,0,0,0|2,0,0]=4 7391 B10R0.91 CCCNNC(=O)COCC 22a_100000740057_100000211967 [1,1,0,0,0,0|2,0,0]=4 7392 B10R0.91 CCCNNC(=O)CSCC 22a_100000740057_100000230394 [1,1,0,0,0,0|2,0,0]=4 7393 B10R0.91 CCCNNC(=O)NCCC 273464a_100020643023_100000740057 [1,1,0,0,0,0|2,0,0]=4 7394 B10R0.91 CCCNNC(=O)NCCC 512a_100000740057_100020643023 [1,1,0,0,0,0|2,0,0]=4 7395 B10R0.91 CCCNNC(=O)NCCC 512a_100020643023_100000740057 [1,1,0,0,0,0|2,0,0]=4 7396 B10R0.91 CCCOC(=O)CSCCC 62a_100000210303_200011215008 [1,1,0,0,0,0|2,0,0]=4 7397 B10R0.91 CCCOC(=O)CSCCC 62a_200011215008_100000210303 [1,1,0,0,0,0|2,0,0]=4 7398 B10R0.91 CCCOC(=O)OCOCC 34a_100121572206_200000139673 [1,1,0,0,0,0|1,0,0]=3 7399 B10R0.91 CCCOC(=O)OCSCC 62a_100000210202_200000139673 [1,1,0,0,0,0|1,0,0]=3 7400 B10R0.91 CCCOC(=O)OCSCF 62a_100015361967_200000139673 [1,1,0,0,0,0|2,0,0]=4 7401 B10R0.91 CCCOCC(=O)CCCF 1458a_100000745993_100011934791 [1,1,0,0,0,0|2,0,0]=4 7402 B10R0.91 CCCOCC(=O)CCCO 1458a_100000745993_100011215043 [1,1,0,0,0,0|2,0,0]=4 7403 B10R0.91 CCCOCC(=O)CCOC 1458a_100000745993_100000233755 [1,1,0,0,0,0|2,0,0]=4 7404 B10R0.91 CCCOCC(=O)CCSC 1458a_100000745993_100000751147 [1,1,0,0,0,0|2,0,0]=4 7405 B10R0.91 CCCOCC(=O)OCCC 34a_100000210258_200011215008 [1,1,0,0,0,0|2,0,0]=4 7406 B10R0.91 CCCSCC(=O)CCCF 1458a_100000217233_100011934791 [1,1,0,0,0,0|2,0,0]=4 7407 B10R0.91 CCCSCC(=O)CCCO 1458a_100000217233_100011215043 [1,1,0,0,0,0|2,0,0]=4 7408 B10R0.91 CCCSCC(=O)CCOC 1458a_100000217233_100000233755 [1,1,0,0,0,0|2,0,0]=4 7409 B10R0.91 CCCSCC(=O)CCSC 1458a_100000217233_100000751147 [1,1,0,0,0,0|2,0,0]=4 7410 B10R0.91 CCNCC(=O)NCCOC 2230a_100000754632_100000210202 [1,1,0,0,0,0|2,0,0]=4 7411 B10R0.91 CCNCC(=O)NCCOC 2230a_100015525214_100000183275 [1,1,0,0,0,0|2,0,0]=4 7412 B10R0.91 CCNCC(=O)OCCOC 2230a_100015525214_200000040189 [1,1,0,0,0,0|1,0,0]=3 7413 B10R0.91 CCOCC(=O)CCCCF 1458a_100000211967_100000729493 [1,1,0,0,0,0|2,0,0]=4 7414 B10R0.91 CCOCC(=O)CCCCO 1458a_100000211967_100000210776 [1,1,0,0,0,0|2,0,0]=4 7415 B10R0.91 CCOCC(=O)CCCOC 1458a_100000211967_100000740836 [1,1,0,0,0,0|2,0,0]=4 7416 B10R0.91 CCOCC(=O)CCSCC 1458a_100000211967_100000757381 [1,1,0,0,0,0|2,0,0]=4 7417 B10R0.91 CCOCC(=O)NCCCF 11a_100015189416_100000211967 [1,1,0,0,0,0|2,0,0]=4 7418 B10R0.91 CCOCC(=O)NCCCF 1626a_100015189416_100000211967 [1,1,0,0,0,0|2,0,0]=4 7419 B10R0.91 CCOCC(=O)NCCCF 240690a_100015189416_100000211967 [1,1,0,0,0,0|2,0,0]=4 7420 B10R0.91 CCOCC(=O)NCCCF 527a_100015189416_100000211967 [1,1,0,0,0,0|2,0,0]=4 7421 B10R0.91 CCOCC(=O)NCCCO 240690a_100000182051_100000211967 [1,1,0,0,0,0|2,0,0]=4 7422 B10R0.91 CCOCC(=O)NCCCO 527a_100000182051_100000211967 [1,1,0,0,0,0|2,0,0]=4 7423 B10R0.91 CCOCC(=O)NCCOC 1626a_100000209980_100000211967 [1,1,0,0,0,0|2,0,0]=4 7424 B10R0.91 CCOCC(=O)NCCOC 240690a_100000209980_100000211967 [1,1,0,0,0,0|2,0,0]=4 7425 B10R0.91 CCOCC(=O)NCCOC 34a_100121572206_100000183275 [1,1,0,0,0,0|2,0,0]=4 7426 B10R0.91 CCOCC(=O)NCCOC 527a_100000209980_100000211967 [1,1,0,0,0,0|2,0,0]=4 7427 B10R0.91 CCOCC(=O)NCCSC 11a_100020590264_100000211967 [1,1,0,0,0,0|2,0,0]=4 7428 B10R0.91 CCOCC(=O)NCCSC 1626a_100020590264_100000211967 [1,1,0,0,0,0|2,0,0]=4 7429 B10R0.91 CCOCC(=O)NCCSC 240690a_100020590264_100000211967 [1,1,0,0,0,0|2,0,0]=4 7430 B10R0.91 CCOCC(=O)NCCSC 527a_100020590264_100000211967 [1,1,0,0,0,0|2,0,0]=4 7431 B10R0.91 CCOCC(=O)OCCOC 34a_100121572206_200000040189 [1,1,0,0,0,0|1,0,0]=3 7432 B10R0.91 CCOCCC(=O)CCCF 1458a_100000749530_100011934791 [1,1,0,0,0,0|2,0,0]=4 7433 B10R0.91 CCOCCC(=O)CCCO 1458a_100000749530_100011215043 [1,1,0,0,0,0|2,0,0]=4 7434 B10R0.91 CCOCCC(=O)CCOC 1458a_100000749529_100011215890 [1,1,0,0,0,0|2,0,0]=4 7435 B10R0.91 CCOCCC(=O)CCOC 1458a_100000749530_100000233755 [1,1,0,0,0,0|2,0,0]=4 7436 B10R0.91 CCOCCC(=O)CCSC 1458a_100000174002_100011215890 [1,1,0,0,0,0|2,0,0]=4 7437 B10R0.91 CCOCCC(=O)CCSC 1458a_100000749530_100000751147 [1,1,0,0,0,0|2,0,0]=4 7438 B10R0.91 CCOCCC(=O)COCC 1458a_100000211967_100011215890 [1,1,0,0,0,0|2,0,0]=4 7439 B10R0.91 CCOCCC(=O)CSCC 1458a_100000230394_100011215890 [1,1,0,0,0,0|2,0,0]=4 7440 B10R0.91 CCSCC(=O)CCCCF 1458a_100000230394_100000729493 [1,1,0,0,0,0|2,0,0]=4 7441 B10R0.91 CCSCC(=O)CCCCO 1458a_100000230394_100000210776 [1,1,0,0,0,0|2,0,0]=4 7442 B10R0.91 CCSCC(=O)CCCOC 1458a_100000230394_100000740836 [1,1,0,0,0,0|2,0,0]=4 7443 B10R0.91 CCSCC(=O)NCCCF 11a_100015189416_100000230394 [1,1,0,0,0,0|2,0,0]=4 7444 B10R0.91 CCSCC(=O)NCCCF 1626a_100015189416_100000230394 [1,1,0,0,0,0|2,0,0]=4 7445 B10R0.91 CCSCC(=O)NCCCF 240690a_100015189416_100000230394 [1,1,0,0,0,0|2,0,0]=4 7446 B10R0.91 CCSCC(=O)NCCCF 527a_100015189416_100000230394 [1,1,0,0,0,0|2,0,0]=4 7447 B10R0.91 CCSCC(=O)NCCCO 240690a_100000182051_100000230394 [1,1,0,0,0,0|2,0,0]=4 7448 B10R0.91 CCSCC(=O)NCCCO 527a_100000182051_100000230394 [1,1,0,0,0,0|2,0,0]=4 7449 B10R0.91 CCSCC(=O)NCCOC 1626a_100000209980_100000230394 [1,1,0,0,0,0|2,0,0]=4 7450 B10R0.91 CCSCC(=O)NCCOC 240690a_100000209980_100000230394 [1,1,0,0,0,0|2,0,0]=4 7451 B10R0.91 CCSCC(=O)NCCOC 527a_100000209980_100000230394 [1,1,0,0,0,0|2,0,0]=4 7452 B10R0.91 CCSCC(=O)NCCOC 62a_100000183275_100000210202 [1,1,0,0,0,0|2,0,0]=4 7453 B10R0.91 CCSCC(=O)NCCOC 62a_100000210202_100000183275 [1,1,0,0,0,0|2,0,0]=4 7454 B10R0.91 CCSCC(=O)NCCSC 11a_100020590264_100000230394 [1,1,0,0,0,0|2,0,0]=4 7455 B10R0.91 CCSCC(=O)NCCSC 1626a_100020590264_100000230394 [1,1,0,0,0,0|2,0,0]=4 7456 B10R0.91 CCSCC(=O)NCCSC 240690a_100020590264_100000230394 [1,1,0,0,0,0|2,0,0]=4 7457 B10R0.91 CCSCC(=O)NCCSC 527a_100020590264_100000230394 [1,1,0,0,0,0|2,0,0]=4 7458 B10R0.91 CCSCC(=O)OCCOC 62a_100000210202_200000040189 [1,1,0,0,0,0|1,0,0]=3 7459 B10R0.91 CCSCC(=O)OCCOC 62a_200000040189_100000210202 [1,1,0,0,0,0|1,0,0]=3 7460 B10R0.91 CCSCCC(=O)CCCF 1458a_100000230768_100011934791 [1,1,0,0,0,0|2,0,0]=4 7461 B10R0.91 CCSCCC(=O)CCCO 1458a_100000230768_100011215043 [1,1,0,0,0,0|2,0,0]=4 7462 B10R0.91 CCSCCC(=O)CCOC 1458a_100000230768_100000233755 [1,1,0,0,0,0|2,0,0]=4 7463 B10R0.91 CCSCCC(=O)CCOC 1458a_100000749529_100000757381 [1,1,0,0,0,0|2,0,0]=4 7464 B10R0.91 CCSCCC(=O)CCSC 1458a_100000174002_100000757381 [1,1,0,0,0,0|2,0,0]=4 7465 B10R0.91 CCSCCC(=O)CCSC 1458a_100000230768_100000751147 [1,1,0,0,0,0|2,0,0]=4 7466 B10R0.91 CCSCCC(=O)CSCC 1458a_100000230394_100000757381 [1,1,0,0,0,0|2,0,0]=4 7467 B10R0.91 COCCC(=O)CCCCF 1458a_100000749529_100000729493 [1,1,0,0,0,0|2,0,0]=4 7468 B10R0.91 COCCC(=O)CCCCO 1458a_100000695505_100000233755 [1,1,0,0,0,0|2,0,0]=4 7469 B10R0.91 COCCC(=O)CCCCO 1458a_100000749529_100000210776 [1,1,0,0,0,0|2,0,0]=4 7470 B10R0.91 COCCC(=O)CCCSC 1458a_100000173376_100000233755 [1,1,0,0,0,0|2,0,0]=4 7471 B10R0.91 COCCC(=O)NCCCF 11a_100015189416_100000749529 [1,1,0,0,0,0|2,0,0]=4 7472 B10R0.91 COCCC(=O)NCCCF 1626a_100015189416_100000749529 [1,1,0,0,0,0|2,0,0]=4 7473 B10R0.91 COCCC(=O)NCCCF 240690a_100015189416_100000749529 [1,1,0,0,0,0|2,0,0]=4 7474 B10R0.91 COCCC(=O)NCCCF 527a_100015189416_100000749529 [1,1,0,0,0,0|2,0,0]=4 7475 B10R0.91 COCCC(=O)NCCCO 240690a_100000182051_100000749529 [1,1,0,0,0,0|2,0,0]=4 7476 B10R0.91 COCCC(=O)NCCCO 527a_100000182051_100000749529 [1,1,0,0,0,0|2,0,0]=4 7477 B10R0.91 COCCC(=O)NCCSC 11a_100020590264_100000749529 [1,1,0,0,0,0|2,0,0]=4 7478 B10R0.91 COCCC(=O)NCCSC 1626a_100020590264_100000749529 [1,1,0,0,0,0|2,0,0]=4 7479 B10R0.91 COCCC(=O)NCCSC 240690a_100020590264_100000749529 [1,1,0,0,0,0|2,0,0]=4 7480 B10R0.91 COCCC(=O)NCCSC 527a_100020590264_100000749529 [1,1,0,0,0,0|2,0,0]=4 7481 B10R0.91 COCCCC(=O)CCCF 1458a_100000741012_100011934791 [1,1,0,0,0,0|2,0,0]=4 7482 B10R0.91 COCCCC(=O)CCCO 1458a_100000741012_100011215043 [1,1,0,0,0,0|2,0,0]=4 7483 B10R0.91 COCCCC(=O)CCOC 1458a_100000741012_100000233755 [1,1,0,0,0,0|2,0,0]=4 7484 B10R0.91 COCCCC(=O)CCOC 1458a_100000749529_100000740836 [1,1,0,0,0,0|2,0,0]=4 7485 B10R0.91 COCCCC(=O)CCSC 1458a_100000174002_100000740836 [1,1,0,0,0,0|2,0,0]=4 7486 B10R0.91 COCCCC(=O)CCSC 1458a_100000741012_100000751147 [1,1,0,0,0,0|2,0,0]=4 7487 B10R0.91 COCCNC(=O)CCOC 1626a_100000209980_100000749529 [1,1,0,0,0,0|2,0,0]=4 7488 B10R0.91 COCCNC(=O)CCOC 240690a_100000209980_100000749529 [1,1,0,0,0,0|2,0,0]=4 7489 B10R0.91 COCCNC(=O)CCOC 527a_100000209980_100000749529 [1,1,0,0,0,0|2,0,0]=4 7490 B10R0.91 COCCNC(=O)CCSC 1626a_100000209980_100000174002 [1,1,0,0,0,0|2,0,0]=4 7491 B10R0.91 COCCNC(=O)CCSC 240690a_100000209980_100000174002 [1,1,0,0,0,0|2,0,0]=4 7492 B10R0.91 COCCNC(=O)CCSC 527a_100000209980_100000174002 [1,1,0,0,0,0|2,0,0]=4 7493 B10R0.91 COCCOC(=O)CSCF 62a_100015361967_200000040189 [1,1,0,0,0,0|2,0,0]=4 7494 B10R0.91 COCCOC(=O)CSCF 62a_200000040189_100015361967 [1,1,0,0,0,0|2,0,0]=4 7495 B10R0.91 CSCCC(=O)CCCCF 1458a_100000174002_100000729493 [1,1,0,0,0,0|2,0,0]=4 7496 B10R0.91 CSCCC(=O)CCCCO 1458a_100000174002_100000210776 [1,1,0,0,0,0|2,0,0]=4 7497 B10R0.91 CSCCC(=O)CCCCO 1458a_100000695505_100000751147 [1,1,0,0,0,0|2,0,0]=4 7498 B10R0.91 CSCCC(=O)NCCCF 11a_100015189416_100000174002 [1,1,0,0,0,0|2,0,0]=4 7499 B10R0.91 CSCCC(=O)NCCCF 1626a_100015189416_100000174002 [1,1,0,0,0,0|2,0,0]=4 7500 B10R0.91 CSCCC(=O)NCCCF 240690a_100015189416_100000174002 [1,1,0,0,0,0|2,0,0]=4 7501 B10R0.91 CSCCC(=O)NCCCF 527a_100015189416_100000174002 [1,1,0,0,0,0|2,0,0]=4 7502 B10R0.91 CSCCC(=O)NCCCO 240690a_100000182051_100000174002 [1,1,0,0,0,0|2,0,0]=4 7503 B10R0.91 CSCCC(=O)NCCCO 527a_100000182051_100000174002 [1,1,0,0,0,0|2,0,0]=4 7504 B10R0.91 CSCCCC(=O)CCCF 1458a_100000173376_100011934791 [1,1,0,0,0,0|2,0,0]=4 7505 B10R0.91 CSCCCC(=O)CCCO 1458a_100000173376_100011215043 [1,1,0,0,0,0|2,0,0]=4 7506 B10R0.91 CSCCCC(=O)CCSC 1458a_100000173376_100000751147 [1,1,0,0,0,0|2,0,0]=4 7507 B10R0.91 CSCCNC(=O)CCSC 11a_100020590264_100000174002 [1,1,0,0,0,0|2,0,0]=4 7508 B10R0.91 CSCCNC(=O)CCSC 1626a_100020590264_100000174002 [1,1,0,0,0,0|2,0,0]=4 7509 B10R0.91 CSCCNC(=O)CCSC 240690a_100020590264_100000174002 [1,1,0,0,0,0|2,0,0]=4 7510 B10R0.91 CSCCNC(=O)CCSC 527a_100020590264_100000174002 [1,1,0,0,0,0|2,0,0]=4 7511 B10R0.91 O=C(CCCF)CCCCO 1458a_100000695505_100011934791 [1,1,0,0,0,0|2,0,0]=4 7512 B10R0.91 O=C(CCCO)CCCCO 1458a_100000695505_100011215043 [1,1,0,0,0,0|2,0,0]=4 7513 B10R0.108 CCC(C)CCC(=O)CCF 1458a_100000701222_100011217306 [1,1,0,0,0,0|2,0,0]=4 7514 B10R0.108 CCC(C)CCC(=O)CCO 1458a_100000701222_100000211926 [1,1,0,0,0,0|2,0,0]=4 7515 B10R0.108 CCC(C)CNC(=O)CCO 240690a_100020588543_100011216618 [1,1,0,0,0,0|2,0,0]=4 7516 B10R0.108 CCC(C)CNC(=O)COC 11a_100020588543_100000210968 [1,1,0,0,0,0|2,0,0]=4 7517 B10R0.108 CCC(C)CNC(=O)COC 1626a_100020588543_100000210968 [1,1,0,0,0,0|2,0,0]=4 7518 B10R0.108 CCC(C)CNC(=O)COC 240690a_100020588543_100000210968 [1,1,0,0,0,0|2,0,0]=4 7519 B10R0.108 CCC(C)CNC(=O)COC 527a_100020588543_100000210968 [1,1,0,0,0,0|2,0,0]=4 7520 B10R0.108 CCC(C)CNC(=O)CSC 11a_100020588543_100000184570 [1,1,0,0,0,0|2,0,0]=4 7521 B10R0.108 CCC(C)CNC(=O)CSC 1626a_100020588543_100000184570 [1,1,0,0,0,0|2,0,0]=4 7522 B10R0.108 CCC(C)CNC(=O)CSC 240690a_100020588543_100000184570 [1,1,0,0,0,0|2,0,0]=4 7523 B10R0.108 CCC(C)CNC(=O)CSC 527a_100020588543_100000184570 [1,1,0,0,0,0|2,0,0]=4 7524 B10R0.108 CCC(O)CNC(=O)CCO 240690a_100011218483_100011216618 [1,1,0,0,0,0|2,0,0]=4 7525 B10R0.108 CCC(O)CNC(=O)COC 11a_100011218483_100000210968 [1,1,0,0,0,0|2,0,0]=4 7526 B10R0.108 CCC(O)CNC(=O)COC 240690a_100011218483_100000210968 [1,1,0,0,0,0|2,0,0]=4 7527 B10R0.108 CCC(O)CNC(=O)COC 527a_100011218483_100000210968 [1,1,0,0,0,0|2,0,0]=4 7528 B10R0.108 CCC(O)CNC(=O)CSC 11a_100011218483_100000184570 [1,1,0,0,0,0|2,0,0]=4 7529 B10R0.108 CCC(O)CNC(=O)CSC 240690a_100011218483_100000184570 [1,1,0,0,0,0|2,0,0]=4 7530 B10R0.108 CCC(O)CNC(=O)CSC 527a_100011218483_100000184570 [1,1,0,0,0,0|2,0,0]=4 7531 B10R0.108 CCCC(=O)CCC(C)CC 1458a_100000701222_100000210303 [1,1,0,0,0,0|1,0,0]=3 7532 B10R0.108 CCCC(=O)CCN(C)CC 1458a_100000755305_100000210303 [1,1,0,0,0,0|2,0,0]=4 7533 B10R0.108 CCCC(=O)CCS(=O)CC 1458a_100011387550_100000210303 [1,1,0,0,0,0|2,0,0]=4 7534 B10R0.108 CCCC(=O)CNC(C)CC 2230a_100000209981_100000747444 [1,1,0,0,0,0|2,0,0]=4 7535 B10R0.108 CCCC(=O)COC(C)CC 7a_100000210228_100000747444 [1,1,0,0,0,0|2,0,0]=4 7536 B10R0.108 CCCC(=O)CSC(C)CC 62a_100000747444_100000758301 [1,1,0,0,0,0|2,0,0]=4 7537 B10R0.108 CCCC(=O)CSC(C)CC 62a_100000758301_100000747444 [1,1,0,0,0,0|2,0,0]=4 7538 B10R0.108 CCCC(=O)NCC(C)CC 11a_100020588543_100000211992 [1,1,0,0,0,0|1,0,0]=3 7539 B10R0.108 CCCC(=O)NCC(C)CC 1626a_100020588543_100000211992 [1,1,0,0,0,0|1,0,0]=3 7540 B10R0.108 CCCC(=O)NCC(C)CC 240690a_100020588543_100000211992 [1,1,0,0,0,0|1,0,0]=3 7541 B10R0.108 CCCC(=O)NCC(C)CC 527a_100020588543_100000211992 [1,1,0,0,0,0|1,0,0]=3 7542 B10R0.108 CCCC(=O)NCC(C)CO 240690a_100000744482_100000211992 [1,1,0,0,0,0|2,0,0]=4 7543 B10R0.108 CCCC(=O)NCC(C)CO 527a_100000744482_100000211992 [1,1,0,0,0,0|2,0,0]=4 7544 B10R0.108 CCCC(=O)NCC(O)CC 11a_100011218483_100000211992 [1,1,0,0,0,0|1,0,0]=3 7545 B10R0.108 CCCC(=O)NCC(O)CC 240690a_100011218483_100000211992 [1,1,0,0,0,0|1,0,0]=3 7546 B10R0.108 CCCC(=O)NCC(O)CC 527a_100011218483_100000211992 [1,1,0,0,0,0|1,0,0]=3 7547 B10R0.108 CCCC(=O)NC[C@@H](C)OC 11a_100020591295_100000211992 [1,1,0,0,0,0|2,0,0]=4 7548 B10R0.108 CCCC(=O)NC[C@@H](C)OC 1626a_100020591295_100000211992 [1,1,0,0,0,0|2,0,0]=4 7549 B10R0.108 CCCC(=O)NC[C@@H](C)OC 240690a_100020591295_100000211992 [1,1,0,0,0,0|2,0,0]=4 7550 B10R0.108 CCCC(=O)NC[C@@H](C)OC 527a_100020591295_100000211992 [1,1,0,0,0,0|2,0,0]=4 7551 B10R0.108 CCCC(=O)NC[C@@H](F)CO 240690a_100015665980_100000211992 [1,1,0,0,0,0|2,0,0]=4 7552 B10R0.108 CCCC(=O)NC[C@@H](F)CO 527a_100015665980_100000211992 [1,1,0,0,0,0|2,0,0]=4 7553 B10R0.108 CCCC(=O)NC[C@H](O)CO 240690a_100020644852_100000211992 [1,1,0,0,0,0|2,0,0]=4 7554 B10R0.108 CCCC(=O)NC[C@H](O)CO 527a_100020644852_100000211992 [1,1,0,0,0,0|2,0,0]=4 7555 B10R0.108 CCCC(=O)NNC(C)CC 22a_100000718999_100000211992 [1,1,0,0,0,0|2,0,0]=4 7556 B10R0.108 CCCC(=O)OCC(=O)CC 1458a_100000210414_100000034017 [1,1,0,0,0,0|0,0,1]=3 7557 B10R0.108 CCCC(=O)OCC(=O)CO 1458a_100000210174_100000034017 [1,1,0,0,0,0|1,0,1]=4 7558 B10R0.108 CCCC(=O)OCN(C)CC 2230a_100000225621_100000034017 [1,1,0,0,0,0|1,0,0]=3 7559 B10R0.108 CCCC(=O)OCN(C)CC 269982a_100000225621_100000034017 [1,1,0,0,0,0|1,0,0]=3 7560 B10R0.108 CCCC(C)OCC(C)CC 34a_100000764384_100000748023 [1,1,0,0,0,0|1,0,1]=4 7561 B10R0.108 CCCC(C)OCC(C)CC 7a_100000764384_100000748023 [1,1,0,0,0,0|1,0,1]=4 7562 B10R0.108 CCCC(C)OCC(O)CC 34a_100000764384_100011218378 [1,1,0,0,0,0|1,0,1]=4 7563 B10R0.108 CCCC(C)OCC(O)CC 7a_100000764384_100011218378 [1,1,0,0,0,0|1,0,1]=4 7564 B10R0.108 CCCC(C)OC[C@@H](C)CC 34a_100000764384_100009816398 [1,1,0,0,0,0|1,0,1]=4 7565 B10R0.108 CCCC(C)OC[C@@H](C)CC 7a_100000764384_100009816398 [1,1,0,0,0,0|1,0,1]=4 7566 B10R0.108 CCCC(C)OC[C@@H](C)CC 7a_100009816381_100000766640 [1,1,0,0,0,0|1,0,1]=4 7567 B10R0.108 CCNC(=O)CCC(C)CC 11a_100015525214_100000701222 [1,1,0,0,0,0|2,0,0]=4 7568 B10R0.108 CCNC(=O)CCC(C)CC 240690a_100015525214_100000701222 [1,1,0,0,0,0|2,0,0]=4 7569 B10R0.108 CCNC(=O)CCC(C)CC 527a_100015525214_100000701222 [1,1,0,0,0,0|2,0,0]=4 7570 B10R0.108 CCNC(=O)CCC(O)CC 240690a_100015525214_203496584001 [1,1,0,0,0,0|2,0,0]=4 7571 B10R0.108 CCNC(=O)NCC(C)CC 2708a_100015525214_100020588543 [1,1,0,0,0,0|2,0,0]=4 7572 B10R0.108 CCNC(=O)NCC(C)CC 2708a_100020588543_100015525214 [1,1,0,0,0,0|2,0,0]=4 7573 B10R0.108 CCNC(=O)NCC(C)CC 273464a_100015525214_100020588543 [1,1,0,0,0,0|2,0,0]=4 7574 B10R0.108 CCNC(=O)NCC(C)CC 273464a_100020588543_100015525214 [1,1,0,0,0,0|2,0,0]=4 7575 B10R0.108 CCNC(=O)NCC(C)CC 512a_100015525214_100020588543 [1,1,0,0,0,0|2,0,0]=4 7576 B10R0.108 CCNC(=O)NCC(C)CC 512a_100020588543_100015525214 [1,1,0,0,0,0|2,0,0]=4 7577 B10R0.108 CCNC(=O)NCC(O)CC 2708a_100015525214_100011218483 [1,1,0,0,0,0|2,0,0]=4 7578 B10R0.108 CCNC(=O)NCC(O)CC 273464a_100011218483_100015525214 [1,1,0,0,0,0|2,0,0]=4 7579 B10R0.108 CCNC(=O)NCC(O)CC 273464a_100015525214_100011218483 [1,1,0,0,0,0|2,0,0]=4 7580 B10R0.108 CCNC(=O)NCC(O)CC 512a_100011218483_100015525214 [1,1,0,0,0,0|2,0,0]=4 7581 B10R0.156 CCCCNS(=O)(=O)CCC 270084a_100000102301_100000211391 [1,1,0,0,0,0|2,0,0]=4 7582 B10R0.156 CCCCNS(=O)(=O)CCC 274078a_100000102301_100000211391 [1,1,0,0,0,0|2,0,0]=4 7583 B10R0.156 CCCCNS(=O)(=O)CCC 40a_100000102301_100000054278 [1,1,0,0,0,0|2,0,0]=4 7584 B10R0.156 CCCCOC(C)(C)CCC 7a_100000748436_100000210211 [1,1,0,0,0,0|1,0,1]=4 7585 B10R0.5 CC(C)(Br)C(=O)OCCO[13CH3] 34a_100009817195_200025704644 [0,1,0,0,1,0|1,0,0]=3 7586 B10R0.5 CC(C)(Br)C(=O)OCCO[13CH3] 7a_100009817195_200025704644 [0,1,0,0,1,0|1,0,0]=3 7587 B10R0.5 CC(C)(C)C(=O)CCCCF 1458a_106744555173_100000729493 [0,1,0,0,1,0|2,0,0]=4 7588 B10R0.5 CC(C)(C)C(=O)CCCCO 1458a_106744555173_100000210776 [0,1,0,0,1,0|2,0,0]=4 7589 B10R0.5 CC(C)(C)C(=O)NCCCF 11a_100015189416_106744555173 [0,1,0,0,1,0|2,0,0]=4 7590 B10R0.5 CC(C)(C)C(=O)NCCCF 1626a_100015189416_106744555173 [0,1,0,0,1,0|2,0,0]=4 7591 B10R0.5 CC(C)(C)C(=O)NCCCF 240690a_100015189416_106744555173 [0,1,0,0,1,0|2,0,0]=4 7592 B10R0.5 CC(C)(C)C(=O)NCCCF 527a_100015189416_106744555173 [0,1,0,0,1,0|2,0,0]=4 7593 B10R0.5 CC(C)(C)C(=O)NCCCO 240690a_100000182051_106744555173 [0,1,0,0,1,0|2,0,0]=4 7594 B10R0.5 CC(C)(C)C(=O)NCCCO 527a_100000182051_106744555173 [0,1,0,0,1,0|2,0,0]=4 7595 B10R0.5 CC(C)(C)C(=O)OCSCF 62a_100000032063_100015361967 [0,1,0,0,1,0|2,0,0]=4 7596 B10R0.5 CC(C)(C)C(=O)OCSCF 62a_100015361967_100000032063 [0,1,0,0,1,0|2,0,0]=4 7597 B10R0.5 CC(C)(F)C(=O)CCCCF 1458a_100000765255_100000729493 [0,1,0,0,1,0|2,0,0]=4 7598 B10R0.5 CC(C)(F)C(=O)CCCCO 1458a_100000765255_100000210776 [0,1,0,0,1,0|2,0,0]=4 7599 B10R0.5 CC(C)(F)C(=O)NCCCF 11a_100015189416_100000765255 [0,1,0,0,1,0|2,0,0]=4 7600 B10R0.5 CC(C)(F)C(=O)NCCCF 1626a_100015189416_100000765255 [0,1,0,0,1,0|2,0,0]=4 7601 B10R0.5 CC(C)(F)C(=O)NCCCF 240690a_100015189416_100000765255 [0,1,0,0,1,0|2,0,0]=4 7602 B10R0.5 CC(C)(F)C(=O)NCCCF 527a_100015189416_100000765255 [0,1,0,0,1,0|2,0,0]=4 7603 B10R0.5 CC(C)(F)C(=O)NCCCO 240690a_100000182051_100000765255 [0,1,0,0,1,0|2,0,0]=4 7604 B10R0.5 CC(C)(F)C(=O)NCCCO 527a_100000182051_100000765255 [0,1,0,0,1,0|2,0,0]=4 7605 B10R0.5 CC(C)(O)C(=O)CCCCF 1458a_100000242741_100000729493 [0,1,0,0,1,0|2,0,0]=4 7606 B10R0.5 CC(C)(O)C(=O)CCCCO 1458a_100000242741_100000210776 [0,1,0,0,1,0|2,0,0]=4 7607 B10R0.5 CC(C)(O)C(=O)NCCCF 240690a_100015189416_100000242741 [0,1,0,0,1,0|2,0,0]=4 7608 B10R0.5 CC(C)(O)C(=O)NCCCO 240690a_100000182051_100000242741 [0,1,0,0,1,0|2,0,0]=4 7609 B10R0.5 CCCCCC(=O)C(C)(C)C 1458a_106744555173_100000210326 [0,1,0,0,1,0|1,0,0]=3 7610 B10R0.5 CCCCCC(=O)C(C)(C)F 1458a_100000765255_100000210326 [0,1,0,0,1,0|1,0,0]=3 7611 B10R0.5 CCCCCC(=O)C(C)(C)O 1458a_100000242741_100000210326 [0,1,0,0,1,0|1,0,0]=3 7612 B10R0.5 CCCCNC(=O)C(C)(C)C 11a_100000102301_106744555173 [0,1,0,0,1,0|1,0,0]=3 7613 B10R0.5 CCCCNC(=O)C(C)(C)C 1626a_100000102301_106744555173 [0,1,0,0,1,0|1,0,0]=3 7614 B10R0.5 CCCCNC(=O)C(C)(C)C 240690a_100000102301_106744555173 [0,1,0,0,1,0|1,0,0]=3 7615 B10R0.5 CCCCNC(=O)C(C)(C)C 527a_100000102301_106744555173 [0,1,0,0,1,0|1,0,0]=3 7616 B10R0.5 CCCCNC(=O)C(C)(C)F 11a_100000102301_100000765255 [0,1,0,0,1,0|1,0,0]=3 7617 B10R0.5 CCCCNC(=O)C(C)(C)F 1626a_100000102301_100000765255 [0,1,0,0,1,0|1,0,0]=3 7618 B10R0.5 CCCCNC(=O)C(C)(C)F 240690a_100000102301_100000765255 [0,1,0,0,1,0|1,0,0]=3 7619 B10R0.5 CCCCNC(=O)C(C)(C)F 527a_100000102301_100000765255 [0,1,0,0,1,0|1,0,0]=3 7620 B10R0.5 CCCCNC(=O)C(C)(C)O 240690a_100000102301_100000242741 [0,1,0,0,1,0|1,0,0]=3 7621 B10R0.5 CCCCNC(=O)C(C)(F)F 11a_100000102301_100000042251 [0,1,0,0,1,0|2,0,0]=4 7622 B10R0.5 CCCCNC(=O)C(C)(F)F 1626a_100000102301_100000042251 [0,1,0,0,1,0|2,0,0]=4 7623 B10R0.5 CCCCNC(=O)C(C)(F)F 240690a_100000102301_100000042251 [0,1,0,0,1,0|2,0,0]=4 7624 B10R0.5 CCCCNC(=O)C(C)(F)F 527a_100000102301_100000042251 [0,1,0,0,1,0|2,0,0]=4 7625 B10R0.5 CCCNNC(=O)C(C)(C)C 22a_100000740057_106744555173 [0,1,0,0,1,0|2,0,0]=4 7626 B10R0.5 CCCNNC(=O)C(C)(C)F 22a_100000740057_100000765255 [0,1,0,0,1,0|2,0,0]=4 7627 B10R0.5 CCCNNC(=O)C(C)(C)O 22a_100000740057_100000242741 [0,1,0,0,1,0|2,0,0]=4 7628 B10R0.5 CCCOCC(=O)C(C)(C)C 34a_100000210258_100000229897 [0,1,0,0,1,0|2,0,0]=4 7629 B10R0.5 CCCOCC(=O)C(C)(C)C 34a_200011592769_100000210303 [0,1,0,0,1,0|2,0,0]=4 7630 B10R0.5 CCCOCC(=O)C(C)(C)C 7a_200011592769_100000210303 [0,1,0,0,1,0|2,0,0]=4 7631 B10R0.5 CCCSCC(=O)C(C)(C)C 62a_100000210303_100000210923 [0,1,0,0,1,0|2,0,0]=4 7632 B10R0.5 CCCSCC(=O)C(C)(C)C 62a_100000210923_100000210303 [0,1,0,0,1,0|2,0,0]=4 7633 B10R0.5 CCOCCC(=O)C(C)(C)C 1458a_106744555173_100011215890 [0,1,0,0,1,0|2,0,0]=4 7634 B10R0.5 CCOCCC(=O)C(C)(C)F 1458a_100000765255_100011215890 [0,1,0,0,1,0|2,0,0]=4 7635 B10R0.5 CCOCCC(=O)C(C)(C)O 1458a_100000242741_100011215890 [0,1,0,0,1,0|2,0,0]=4 7636 B10R0.5 CCSCCC(=O)C(C)(C)C 1458a_106744555173_100000757381 [0,1,0,0,1,0|2,0,0]=4 7637 B10R0.5 CCSCCC(=O)C(C)(C)F 1458a_100000765255_100000757381 [0,1,0,0,1,0|2,0,0]=4 7638 B10R0.5 CCSCCC(=O)C(C)(C)O 1458a_100000242741_100000757381 [0,1,0,0,1,0|2,0,0]=4 7639 B10R0.5 CCSCOC(=O)C(C)(C)C 62a_100000032063_100000210202 [0,1,0,0,1,0|1,0,0]=3 7640 B10R0.5 CCSCOC(=O)C(C)(C)C 62a_100000210202_100000032063 [0,1,0,0,1,0|1,0,0]=3 7641 B10R0.5 COCCCC(=O)C(C)(C)C 1458a_106744555173_100000740836 [0,1,0,0,1,0|2,0,0]=4 7642 B10R0.5 COCCCC(=O)C(C)(C)F 1458a_100000765255_100000740836 [0,1,0,0,1,0|2,0,0]=4 7643 B10R0.5 COCCCC(=O)C(C)(C)O 1458a_100000242741_100000740836 [0,1,0,0,1,0|2,0,0]=4 7644 B10R0.5 COCCNC(=O)C(C)(C)C 1626a_100000209980_106744555173 [0,1,0,0,1,0|2,0,0]=4 7645 B10R0.5 COCCNC(=O)C(C)(C)C 240690a_100000209980_106744555173 [0,1,0,0,1,0|2,0,0]=4 7646 B10R0.5 COCCNC(=O)C(C)(C)C 527a_100000209980_106744555173 [0,1,0,0,1,0|2,0,0]=4 7647 B10R0.5 COCCNC(=O)C(C)(C)F 1626a_100000209980_100000765255 [0,1,0,0,1,0|2,0,0]=4 7648 B10R0.5 COCCNC(=O)C(C)(C)F 240690a_100000209980_100000765255 [0,1,0,0,1,0|2,0,0]=4 7649 B10R0.5 COCCNC(=O)C(C)(C)F 527a_100000209980_100000765255 [0,1,0,0,1,0|2,0,0]=4 7650 B10R0.5 COCCNC(=O)C(C)(C)O 240690a_100000209980_100000242741 [0,1,0,0,1,0|2,0,0]=4 7651 B10R0.5 COCCOC(=O)C(C)(C)Br 34a_100009817195_200000210301 [0,1,0,0,1,0|1,0,0]=3 7652 B10R0.5 COCCOC(=O)C(C)(C)Br 7a_100009817195_200000210301 [0,1,0,0,1,0|1,0,0]=3 7653 B10R0.5 CSCCNC(=O)C(C)(C)C 11a_100020590264_106744555173 [0,1,0,0,1,0|2,0,0]=4 7654 B10R0.5 CSCCNC(=O)C(C)(C)C 1626a_100020590264_106744555173 [0,1,0,0,1,0|2,0,0]=4 7655 B10R0.5 CSCCNC(=O)C(C)(C)C 240690a_100020590264_106744555173 [0,1,0,0,1,0|2,0,0]=4 7656 B10R0.5 CSCCNC(=O)C(C)(C)C 527a_100020590264_106744555173 [0,1,0,0,1,0|2,0,0]=4 7657 B10R0.5 CSCCNC(=O)C(C)(C)F 11a_100020590264_100000765255 [0,1,0,0,1,0|2,0,0]=4 7658 B10R0.5 CSCCNC(=O)C(C)(C)F 1626a_100020590264_100000765255 [0,1,0,0,1,0|2,0,0]=4 7659 B10R0.5 CSCCNC(=O)C(C)(C)F 240690a_100020590264_100000765255 [0,1,0,0,1,0|2,0,0]=4 7660 B10R0.5 CSCCNC(=O)C(C)(C)F 527a_100020590264_100000765255 [0,1,0,0,1,0|2,0,0]=4 7661 B10R0.5 CSCCNC(=O)C(C)(C)O 240690a_100020590264_100000242741 [0,1,0,0,1,0|2,0,0]=4 7662 B10R0.26 C=C(CCC)CC(=O)C(C)C 1458a_100000138376_100000210206 [0,1,0,0,1,0|1,0,1]=4 7663 B10R0.26 CC(C)C(=O)N[C@H](C)CCO 240690a_100000706166_100000210198 [0,1,0,0,1,0|2,0,0]=4 7664 B10R0.26 CC(C)C(=O)N[C@H](C)CCO 527a_100000706166_100000210198 [0,1,0,0,1,0|2,0,0]=4 7665 B10R0.26 CCCC(=CC(=O)C(C)C)C 1458a_100020676950_100000210206 [0,1,0,0,1,0|1,0,1]=4 7666 B10R0.26 CCCC(=O)CC(=O)C(C)C 1458a_100000210198_100000747444 [0,1,0,0,1,0|1,0,1]=4 7667 B10R0.26 CCCC(=O)CC(=O)C(C)C 1458a_100000211992_100000753385 [0,1,0,0,1,0|1,0,1]=4 7668 B10R0.26 CCCC(C)CC(=O)C(C)C 1458a_100000210198_100011216630 [0,1,0,0,1,0|1,0,0]=3 7669 B10R0.26 CCCC(C)CC(=O)C(C)C 1458a_100000748435_100000210206 [0,1,0,0,1,0|1,0,0]=3 7670 B10R0.26 CCCC(C)CC(=O)C(C)F 1458a_100000062450_100011216630 [0,1,0,0,1,0|2,0,0]=4 7671 B10R0.26 CCCC(C)CC(=O)N(C)C 11a_100102631434_100000748435 [0,1,0,0,1,0|2,0,0]=4 7672 B10R0.26 CCCC(C)CC(=O)N(C)C 1626a_100102631434_100000748435 [0,1,0,0,1,0|2,0,0]=4 7673 B10R0.26 CCCC(C)CC(=O)N(C)C 240690a_100102631434_100000748435 [0,1,0,0,1,0|2,0,0]=4 7674 B10R0.26 CCCC(C)CC(=O)N(C)C 527a_100102631434_100000748435 [0,1,0,0,1,0|2,0,0]=4 7675 B10R0.26 CCCC(C)CC(=O)[C@@H](C)O 1458a_100000717761_100011216630 [0,1,0,0,1,0|2,0,0]=4 7676 B10R0.26 CCCC(C)CC(=O)[C@H](C)O 1458a_217856618621_100011216630 [0,1,0,0,1,0|2,0,0]=4 7677 B10R0.26 CCCC(C)NC(=O)C(C)C 11a_100000741246_100000210198 [0,1,0,0,1,0|1,0,0]=3 7678 B10R0.26 CCCC(C)NC(=O)C(C)C 1626a_100000741246_100000210198 [0,1,0,0,1,0|1,0,0]=3 7679 B10R0.26 CCCC(C)NC(=O)C(C)C 240690a_100000741246_100000210198 [0,1,0,0,1,0|1,0,0]=3 7680 B10R0.26 CCCC(C)NC(=O)C(C)C 527a_100000741246_100000210198 [0,1,0,0,1,0|1,0,0]=3 7681 B10R0.26 CCCC(C)NC(=O)C(C)F 11a_100000741246_100000062450 [0,1,0,0,1,0|2,0,0]=4 7682 B10R0.26 CCCC(C)NC(=O)C(C)F 1626a_100000741246_100000062450 [0,1,0,0,1,0|2,0,0]=4 7683 B10R0.26 CCCC(C)NC(=O)C(C)F 240690a_100000741246_100000062450 [0,1,0,0,1,0|2,0,0]=4 7684 B10R0.26 CCCC(C)NC(=O)C(C)F 527a_100000741246_100000062450 [0,1,0,0,1,0|2,0,0]=4 7685 B10R0.26 CCCC(C)NC(=O)N(C)C 2708a_100000741246_100102631434 [0,1,0,0,1,0|2,0,0]=4 7686 B10R0.26 CCCC(C)NC(=O)[C@@H](C)O 240690a_100000741246_100000717761 [0,1,0,0,1,0|2,0,0]=4 7687 B10R0.26 CCCC(C)NC(=O)[C@H](C)O 1626a_100000741246_217856618621 [0,1,0,0,1,0|2,0,0]=4 7688 B10R0.26 CCCC(C)NC(=O)[C@H](C)O 240690a_100000741246_217856618621 [0,1,0,0,1,0|2,0,0]=4 7689 B10R0.26 CCCC(C)OC(C)C(C)C 7a_100000748068_100000766640 [0,1,0,0,1,0|1,0,1]=4 7690 B10R0.26 CCCN(C)CC(=O)C(C)C 2230a_100000747261_100000753385 [0,1,0,0,1,0|2,0,0]=4 7691 B10R0.26 CCCN(C)CC(=O)C(C)C 269982a_100000747261_100000753385 [0,1,0,0,1,0|2,0,0]=4 7692 B10R0.26 CCCS(=O)CC(=O)C(C)C 1458a_100011387404_100000210206 [0,1,0,0,1,0|2,0,0]=4 7693 B10R0.26 CCSC(C)CC(=O)C(C)C 1458a_200011311441_100000210206 [0,1,0,0,1,0|2,0,0]=4 7694 B10R0.26 COC[C@@H](C)NC(=O)C(C)C 11a_100000764878_100000210198 [0,1,0,0,1,0|2,0,0]=4 7695 B10R0.26 COC[C@@H](C)NC(=O)C(C)C 1626a_100000764878_100000210198 [0,1,0,0,1,0|2,0,0]=4 7696 B10R0.26 COC[C@@H](C)NC(=O)C(C)C 240690a_100000764878_100000210198 [0,1,0,0,1,0|2,0,0]=4 7697 B10R0.26 COC[C@@H](C)NC(=O)C(C)C 527a_100000764878_100000210198 [0,1,0,0,1,0|2,0,0]=4 7698 B10R0.42 CCCCNS(=O)(=O)C(C)C 270084a_100000102301_100000742656 [0,1,0,0,1,0|2,0,0]=4 7699 B10R0.42 CCCCNS(=O)(=O)C(C)C 274078a_100000102301_100000742656 [0,1,0,0,1,0|2,0,0]=4 7700 B10R0.42 CCCCOC(C)(C)C(C)C 7a_100011215261_100000210211 [0,1,0,0,1,0|1,0,1]=4 7701 B10R0.82 CC(C)C(=O)NC[C@@H](F)CO 240690a_100015665980_100000210198 [0,1,0,0,1,0|2,0,0]=4 7702 B10R0.82 CC(C)C(=O)NC[C@@H](F)CO 527a_100015665980_100000210198 [0,1,0,0,1,0|2,0,0]=4 7703 B10R0.82 CC(C)C(=O)NC[C@H](O)CO 240690a_100020644852_100000210198 [0,1,0,0,1,0|2,0,0]=4 7704 B10R0.82 CC(C)C(=O)NC[C@H](O)CO 527a_100020644852_100000210198 [0,1,0,0,1,0|2,0,0]=4 7705 B10R0.82 CC(C)C(=O)OCC(=O)CO 1458a_100000210174_100000139345 [0,1,0,0,1,0|1,0,1]=4 7706 B10R0.82 CC(CO)CNC(=O)C(C)C 240690a_100000744482_100000210198 [0,1,0,0,1,0|2,0,0]=4 7707 B10R0.82 CC(CO)CNC(=O)C(C)C 527a_100000744482_100000210198 [0,1,0,0,1,0|2,0,0]=4 7708 B10R0.82 CCC(=O)CNC(=O)C(C)C 1458a_100000194582_100000210202 [0,1,0,0,1,0|1,0,1]=4 7709 B10R0.82 CCC(=O)COC(=O)C(C)C 1458a_100000210414_100000139345 [0,1,0,0,1,0|0,0,1]=3 7710 B10R0.82 CCC(C)CCC(=O)C(C)C 1458a_100000701222_100000210206 [0,1,0,0,1,0|1,0,0]=3 7711 B10R0.82 CCC(C)CCC(=O)N(C)C 11a_100102631434_100000701222 [0,1,0,0,1,0|2,0,0]=4 7712 B10R0.82 CCC(C)CCC(=O)N(C)C 1626a_100102631434_100000701222 [0,1,0,0,1,0|2,0,0]=4 7713 B10R0.82 CCC(C)CCC(=O)N(C)C 240690a_100102631434_100000701222 [0,1,0,0,1,0|2,0,0]=4 7714 B10R0.82 CCC(C)CCC(=O)N(C)C 527a_100102631434_100000701222 [0,1,0,0,1,0|2,0,0]=4 7715 B10R0.82 CCC(C)CNC(=O)C(C)C 11a_100020588543_100000210198 [0,1,0,0,1,0|1,0,0]=3 7716 B10R0.82 CCC(C)CNC(=O)C(C)C 1626a_100020588543_100000210198 [0,1,0,0,1,0|1,0,0]=3 7717 B10R0.82 CCC(C)CNC(=O)C(C)C 240690a_100020588543_100000210198 [0,1,0,0,1,0|1,0,0]=3 7718 B10R0.82 CCC(C)CNC(=O)C(C)C 527a_100020588543_100000210198 [0,1,0,0,1,0|1,0,0]=3 7719 B10R0.82 CCC(C)CNC(=O)C(C)F 11a_100020588543_100000062450 [0,1,0,0,1,0|2,0,0]=4 7720 B10R0.82 CCC(C)CNC(=O)C(C)F 1626a_100020588543_100000062450 [0,1,0,0,1,0|2,0,0]=4 7721 B10R0.82 CCC(C)CNC(=O)C(C)F 240690a_100020588543_100000062450 [0,1,0,0,1,0|2,0,0]=4 7722 B10R0.82 CCC(C)CNC(=O)C(C)F 527a_100020588543_100000062450 [0,1,0,0,1,0|2,0,0]=4 7723 B10R0.82 CCC(C)CNC(=O)N(C)C 2708a_100020588543_100102631434 [0,1,0,0,1,0|2,0,0]=4 7724 B10R0.82 CCC(C)CNC(=O)[C@@H](C)O 240690a_100020588543_100000717761 [0,1,0,0,1,0|2,0,0]=4 7725 B10R0.82 CCC(C)CNC(=O)[C@H](C)O 1626a_100020588543_217856618621 [0,1,0,0,1,0|2,0,0]=4 7726 B10R0.82 CCC(C)CNC(=O)[C@H](C)O 240690a_100020588543_217856618621 [0,1,0,0,1,0|2,0,0]=4 7727 B10R0.82 CCC(C)COC(C)C(C)C 7a_100000748068_100000748023 [0,1,0,0,1,0|1,0,1]=4 7728 B10R0.82 CCC(C)NCC(=O)C(C)C 2230a_100000209981_100000753385 [0,1,0,0,1,0|2,0,0]=4 7729 B10R0.82 CCC(C)NNC(=O)C(C)C 22a_100000718999_100000210198 [0,1,0,0,1,0|2,0,0]=4 7730 B10R0.82 CCC(C)OCC(=O)C(C)C 7a_100000210228_100000753385 [0,1,0,0,1,0|2,0,0]=4 7731 B10R0.82 CCC(C)SCC(=O)C(C)C 62a_100000753385_100000758301 [0,1,0,0,1,0|2,0,0]=4 7732 B10R0.82 CCC(C)SCC(=O)C(C)C 62a_100000758301_100000753385 [0,1,0,0,1,0|2,0,0]=4 7733 B10R0.82 CCC(O)CCC(=O)N(C)C 1626a_100102631434_203496584001 [0,1,0,0,1,0|2,0,0]=4 7734 B10R0.82 CCC(O)CCC(=O)N(C)C 240690a_100102631434_203496584001 [0,1,0,0,1,0|2,0,0]=4 7735 B10R0.82 CCC(O)CNC(=O)C(C)C 11a_100011218483_100000210198 [0,1,0,0,1,0|1,0,0]=3 7736 B10R0.82 CCC(O)CNC(=O)C(C)C 240690a_100011218483_100000210198 [0,1,0,0,1,0|1,0,0]=3 7737 B10R0.82 CCC(O)CNC(=O)C(C)C 527a_100011218483_100000210198 [0,1,0,0,1,0|1,0,0]=3 7738 B10R0.82 CCC(O)CNC(=O)C(C)F 11a_100011218483_100000062450 [0,1,0,0,1,0|2,0,0]=4 7739 B10R0.82 CCC(O)CNC(=O)C(C)F 240690a_100011218483_100000062450 [0,1,0,0,1,0|2,0,0]=4 7740 B10R0.82 CCC(O)CNC(=O)C(C)F 527a_100011218483_100000062450 [0,1,0,0,1,0|2,0,0]=4 7741 B10R0.82 CCC(O)CNC(=O)[C@@H](C)O 240690a_100011218483_100000717761 [0,1,0,0,1,0|2,0,0]=4 7742 B10R0.82 CCC(O)CNC(=O)[C@H](C)O 240690a_100011218483_217856618621 [0,1,0,0,1,0|2,0,0]=4 7743 B10R0.82 CCC(O)COC(C)C(C)C 7a_100000748068_100011218378 [0,1,0,0,1,0|1,0,1]=4 7744 B10R0.82 CCN(C)CCC(=O)C(C)C 1458a_100000755305_100000210206 [0,1,0,0,1,0|2,0,0]=4 7745 B10R0.82 CCS(=O)CCC(=O)C(C)C 1458a_100011387550_100000210206 [0,1,0,0,1,0|2,0,0]=4 7746 B10R0.82 CC[C@H](C)COC(C)C(C)C 7a_100000748068_100009816398 [0,1,0,0,1,0|1,0,1]=4 7747 B10R0.82 CO[C@H](C)CNC(=O)C(C)C 11a_100020591295_100000210198 [0,1,0,0,1,0|2,0,0]=4 7748 B10R0.82 CO[C@H](C)CNC(=O)C(C)C 1626a_100020591295_100000210198 [0,1,0,0,1,0|2,0,0]=4 7749 B10R0.82 CO[C@H](C)CNC(=O)C(C)C 240690a_100020591295_100000210198 [0,1,0,0,1,0|2,0,0]=4 7750 B10R0.82 CO[C@H](C)CNC(=O)C(C)C 527a_100020591295_100000210198 [0,1,0,0,1,0|2,0,0]=4 7751 B10R0.86 C#CC(OCCCC)C(C)C 34a_100011217124_100000210210 [0,1,0,0,1,0|1,0,1]=4 7752 B10R0.86 C#CC(OCCCC)C(C)C 7a_100011217124_100000210211 [0,1,0,0,1,0|1,0,1]=4 7753 B10R0.86 C=CC(OCCCC)C(C)C 34a_100000732651_100000210210 [0,1,0,0,1,0|1,0,1]=4 7754 B10R0.86 C=CC(OCCCC)C(C)C 7a_100000732651_100000210211 [0,1,0,0,1,0|1,0,1]=4 7755 B10R0.86 CCCCOC(C#N)C(C)C 34a_100000748901_100000210210 [0,1,0,0,1,0|1,0,1]=4 7756 B10R0.86 CCCCOC(C#N)C(C)C 7a_100000748901_100000210211 [0,1,0,0,1,0|1,0,1]=4 7757 B10R0.86 CCCCOC(CC)C(C)C 34a_100011218073_100000210210 [0,1,0,0,1,0|1,0,1]=4 7758 B10R0.86 CCCCOC(CC)C(C)C 7a_100011218073_100000210211 [0,1,0,0,1,0|1,0,1]=4 7759 B10R0.86 CCCCOC(CN)C(C)C 34a_100000759067_100000210210 [0,1,0,0,1,0|1,0,1]=4 7760 B10R0.98 CC(=O)CCCC(=O)C(C)C 1458a_100000210198_100011215641 [0,1,0,0,1,0|1,0,1]=4 7761 B10R0.98 CC(Br)COCC(=O)C(C)C 34a_100012180447_100000753385 [0,1,0,0,1,0|2,0,0]=4 7762 B10R0.98 CC(C)C(=O)CCCN(C)C 1458a_100000210198_100000695564 [0,1,0,0,1,0|2,0,0]=4 7763 B10R0.98 CC(C)C(=O)COC[C@@H](C)Cl 34a_100016084084_100000753385 [0,1,0,0,1,0|2,0,0]=4 7764 B10R0.98 CC(C)C(=O)COC[C@@H](C)N 34a_100000737577_100000753385 [0,1,0,0,1,0|2,0,0]=4 7765 B10R0.98 CC(C)C(=O)CSC[C@@H](C)O 62a_100000753385_100009817552 [0,1,0,0,1,0|2,0,0]=4 7766 B10R0.98 CC(C)C(=O)CSC[C@@H](C)O 62a_100009817552_100000753385 [0,1,0,0,1,0|2,0,0]=4 7767 B10R0.98 CC(C)C(=O)NCCN(C)C 240690a_100000210585_100000210198 [0,1,0,0,1,0|2,0,0]=4 7768 B10R0.98 CC(C)C(=O)NCCN(C)C 527a_100000210585_100000210198 [0,1,0,0,1,0|2,0,0]=4 7769 B10R0.98 CC(C)CCCC(=O)C(C)C 1458a_100000210198_100011214892 [0,1,0,0,1,0|1,0,0]=3 7770 B10R0.98 CC(C)CCCC(=O)C(C)C 1458a_100011216857_100000210206 [0,1,0,0,1,0|1,0,0]=3 7771 B10R0.98 CC(C)CCCC(=O)C(C)F 1458a_100000062450_100011214892 [0,1,0,0,1,0|2,0,0]=4 7772 B10R0.98 CC(C)CCCC(=O)N(C)C 11a_100102631434_100011216857 [0,1,0,0,1,0|2,0,0]=4 7773 B10R0.98 CC(C)CCCC(=O)N(C)C 1626a_100102631434_100011216857 [0,1,0,0,1,0|2,0,0]=4 7774 B10R0.98 CC(C)CCCC(=O)N(C)C 240690a_100102631434_100011216857 [0,1,0,0,1,0|2,0,0]=4 7775 B10R0.98 CC(C)CCCC(=O)N(C)C 527a_100102631434_100011216857 [0,1,0,0,1,0|2,0,0]=4 7776 B10R0.98 CC(C)CCCC(=O)[C@@H](C)O 1458a_100000717761_100011214892 [0,1,0,0,1,0|2,0,0]=4 7777 B10R0.98 CC(C)CCCC(=O)[C@H](C)O 1458a_217856618621_100011214892 [0,1,0,0,1,0|2,0,0]=4 7778 B10R0.98 CC(C)CCNC(=O)C(C)C 11a_100000210545_100000210198 [0,1,0,0,1,0|1,0,0]=3 7779 B10R0.98 CC(C)CCNC(=O)C(C)C 1626a_100000210545_100000210198 [0,1,0,0,1,0|1,0,0]=3 7780 B10R0.98 CC(C)CCNC(=O)C(C)C 240690a_100000210545_100000210198 [0,1,0,0,1,0|1,0,0]=3 7781 B10R0.98 CC(C)CCNC(=O)C(C)C 527a_100000210545_100000210198 [0,1,0,0,1,0|1,0,0]=3 7782 B10R0.98 CC(C)CCNC(=O)C(C)F 11a_100000210545_100000062450 [0,1,0,0,1,0|2,0,0]=4 7783 B10R0.98 CC(C)CCNC(=O)C(C)F 1626a_100000210545_100000062450 [0,1,0,0,1,0|2,0,0]=4 7784 B10R0.98 CC(C)CCNC(=O)C(C)F 240690a_100000210545_100000062450 [0,1,0,0,1,0|2,0,0]=4 7785 B10R0.98 CC(C)CCNC(=O)C(C)F 527a_100000210545_100000062450 [0,1,0,0,1,0|2,0,0]=4 7786 B10R0.98 CC(C)CCNC(=O)N(C)C 2708a_100000210545_100102631434 [0,1,0,0,1,0|2,0,0]=4 7787 B10R0.98 CC(C)CCNC(=O)[C@@H](C)O 240690a_100000210545_100000717761 [0,1,0,0,1,0|2,0,0]=4 7788 B10R0.98 CC(C)CCNC(=O)[C@H](C)O 1626a_100000210545_217856618621 [0,1,0,0,1,0|2,0,0]=4 7789 B10R0.98 CC(C)CCNC(=O)[C@H](C)O 240690a_100000210545_217856618621 [0,1,0,0,1,0|2,0,0]=4 7790 B10R0.98 CC(C)CCOC(C)C(C)C 7a_100000748068_100000210626 [0,1,0,0,1,0|1,0,1]=4 7791 B10R0.98 CC(C)CNCC(=O)C(C)C 2230a_100000210953_100000753385 [0,1,0,0,1,0|2,0,0]=4 7792 B10R0.98 CC(C)CNCC(=O)C(C)C 34a_100000210953_100000753385 [0,1,0,0,1,0|2,0,0]=4 7793 B10R0.98 CC(C)CNNC(=O)C(C)C 22a_100000696102_100000210198 [0,1,0,0,1,0|2,0,0]=4 7794 B10R0.98 CC(C)COCC(=O)C(C)C 1458a_100011223364_100000210206 [0,1,0,0,1,0|2,0,0]=4 7795 B10R0.98 CC(C)COCC(=O)C(C)C 34a_100000210257_100000753385 [0,1,0,0,1,0|2,0,0]=4 7796 B10R0.98 CC(C)CSCC(=O)C(C)C 62a_100000210624_100000753385 [0,1,0,0,1,0|2,0,0]=4 7797 B10R0.98 CC(C)CSCC(=O)C(C)C 62a_100000753385_100000210760 [0,1,0,0,1,0|2,0,0]=4 7798 B10R0.98 CC(C)OCCC(=O)C(C)C 1458a_100000210198_100000211751 [0,1,0,0,1,0|2,0,0]=4 7799 B10R0.98 CC(C)SCCC(=O)C(C)C 1458a_100000210198_100000730970 [0,1,0,0,1,0|2,0,0]=4 7800 B10R0.98 CC(C)SCOC(=O)C(C)C 62a_100000139345_100000210206 [0,1,0,0,1,0|1,0,0]=3 7801 B10R0.98 CC(C)SCOC(=O)C(C)C 62a_100000210206_100000139345 [0,1,0,0,1,0|1,0,0]=3 7802 B10R0.98 CC(F)COCC(=O)C(C)C 34a_100015925927_100000753385 [0,1,0,0,1,0|2,0,0]=4 7803 B10R0.98 CC(O)CCCC(=O)C(C)C 1458a_100000210198_200000718107 [0,1,0,0,1,0|1,0,0]=3 7804 B10R0.98 CC(O)CCCC(=O)C(C)F 1458a_100000062450_200000718107 [0,1,0,0,1,0|2,0,0]=4 7805 B10R0.98 CC(O)CCCC(=O)N(C)C 1626a_100102631434_100000761597 [0,1,0,0,1,0|2,0,0]=4 7806 B10R0.98 CC(O)CCCC(=O)N(C)C 527a_100102631434_100000761597 [0,1,0,0,1,0|2,0,0]=4 7807 B10R0.98 CC(O)CCCC(=O)[C@@H](C)O 1458a_100000717761_200000718107 [0,1,0,0,1,0|2,0,0]=4 7808 B10R0.98 CC(O)CCCC(=O)[C@H](C)O 1458a_217856618621_200000718107 [0,1,0,0,1,0|2,0,0]=4 7809 B10R0.98 CC(O)CCNC(=O)C(C)C 240690a_200000755665_100000210198 [0,1,0,0,1,0|1,0,0]=3 7810 B10R0.98 CC(O)CCNC(=O)C(C)C 527a_200000755665_100000210198 [0,1,0,0,1,0|1,0,0]=3 7811 B10R0.98 CC(O)CCNC(=O)C(C)F 240690a_200000755665_100000062450 [0,1,0,0,1,0|2,0,0]=4 7812 B10R0.98 CC(O)CCNC(=O)C(C)F 527a_200000755665_100000062450 [0,1,0,0,1,0|2,0,0]=4 7813 B10R0.98 CC(O)CCNC(=O)[C@@H](C)O 240690a_200000755665_100000717761 [0,1,0,0,1,0|2,0,0]=4 7814 B10R0.98 CC(O)CCNC(=O)[C@H](C)O 240690a_200000755665_217856618621 [0,1,0,0,1,0|2,0,0]=4 7815 B10R0.98 CC(O)CCOC(C)C(C)C 7a_100000748068_100012276601 [0,1,0,0,1,0|1,0,1]=4 7816 B10R0.98 CC(O)CNCC(=O)C(C)C 2230a_100000210904_100000753385 [0,1,0,0,1,0|2,0,0]=4 7817 B10R0.98 CC(O)CNCC(=O)C(C)C 34a_100000210904_100000753385 [0,1,0,0,1,0|2,0,0]=4 7818 B10R0.98 CC(O)CNNC(=O)C(C)C 22a_200000730056_100000210198 [0,1,0,0,1,0|2,0,0]=4 7819 B10R0.98 CC(O)CSCC(=O)C(C)C 62a_100000753385_100011218427 [0,1,0,0,1,0|2,0,0]=4 7820 B10R0.98 CC(O)CSCC(=O)C(C)C 62a_100011218427_100000753385 [0,1,0,0,1,0|2,0,0]=4 7821 B12R0.44 CC(=CCC(=O)CCCC(C)C)C 1458a_100011216857_100000761012 [0,1,0,0,0,1|1,0,1]=4 7822 B12R0.44 CC(=CCC(=O)CCCC(C)C)C 1458a_100011220947_100011214892 [0,1,0,0,0,1|1,0,1]=4 7823 B12R0.44 CC(=CCC(=O)CCCC(C)O)C 1458a_100011220947_200000718107 [0,1,0,0,0,1|1,0,1]=4 7824 B12R0.44 CC(=CCC(=O)NCCC(C)C)C 11a_100000210545_100011220947 [0,1,0,0,0,1|1,0,1]=4 7825 B12R0.44 CC(=CCC(=O)NCCC(C)C)C 1626a_100000210545_100011220947 [0,1,0,0,0,1|1,0,1]=4 7826 B12R0.44 CC(=CCC(=O)NCCC(C)C)C 240690a_100000210545_100011220947 [0,1,0,0,0,1|1,0,1]=4 7827 B12R0.44 CC(=CCC(=O)NCCC(C)C)C 527a_100000210545_100011220947 [0,1,0,0,0,1|1,0,1]=4 7828 B12R0.44 CC(=CCC(=O)NCCC(C)O)C 240690a_200000755665_100011220947 [0,1,0,0,0,1|1,0,1]=4 7829 B12R0.44 CC(=CCC(=O)NCCC(C)O)C 527a_200000755665_100011220947 [0,1,0,0,0,1|1,0,1]=4 7830 B12R0.44 CC(=O)CCCC(=O)CCC(C)C 1458a_100000181311_100011215641 [0,1,0,0,0,1|1,0,1]=4 7831 B12R0.44 CC(=O)CCCC(=O)COC(C)C 1458a_100000745533_100011215641 [0,1,0,0,0,1|1,0,1]=4 7832 B12R0.44 CC(=O)CCCC(=O)CSC(C)C 1458a_100000241585_100011215641 [0,1,0,0,0,1|1,0,1]=4 7833 B12R0.44 CC(=O)CCCC(=O)NCC(C)C 1458a_100000070787_100011194448 [0,1,0,0,0,1|1,0,1]=4 7834 B12R0.44 CC(C)C=CC(=O)CCCC(C)C 1458a_100016268746_100011214892 [0,1,0,0,0,1|1,0,1]=4 7835 B12R0.44 CC(C)C=CC(=O)CCCC(C)O 1458a_100016268746_200000718107 [0,1,0,0,0,1|1,0,1]=4 7836 B12R0.44 CC(C)C=CC(=O)NCCC(C)C 11a_100000210545_100016268746 [0,1,0,0,0,1|1,0,1]=4 7837 B12R0.44 CC(C)C=CC(=O)NCCC(C)C 1626a_100000210545_100016268746 [0,1,0,0,0,1|1,0,1]=4 7838 B12R0.44 CC(C)C=CC(=O)NCCC(C)C 240690a_100000210545_100016268746 [0,1,0,0,0,1|1,0,1]=4 7839 B12R0.44 CC(C)C=CC(=O)NCCC(C)O 240690a_200000755665_100016268746 [0,1,0,0,0,1|1,0,1]=4 7840 B12R0.44 CC(C)CCC(=O)CCCC(C)O 1458a_100000181311_200000718107 [0,1,0,0,0,1|1,0,0]=3 7841 B12R0.44 CC(C)CCC(=O)CCCN(C)C 1458a_100000181311_100000695564 [0,1,0,0,0,1|2,0,0]=4 7842 B12R0.44 CC(C)CCC(=O)CCOC(C)C 1458a_100000181311_100000211751 [0,1,0,0,0,1|2,0,0]=4 7843 B12R0.44 CC(C)CCC(=O)CCSC(C)C 1458a_100000181311_100000730970 [0,1,0,0,0,1|2,0,0]=4 7844 B12R0.44 CC(C)CCC(=O)COCC(C)C 1458a_100011223364_100000210312 [0,1,0,0,0,1|2,0,0]=4 7845 B12R0.44 CC(C)CCC(=O)NCCC(C)O 240690a_200000755665_100000181311 [0,1,0,0,0,1|1,0,0]=3 7846 B12R0.44 CC(C)CCC(=O)NCCC(C)O 527a_200000755665_100000181311 [0,1,0,0,0,1|1,0,0]=3 7847 B12R0.44 CC(C)CCC(=O)NCCN(C)C 240690a_100000210585_100000181311 [0,1,0,0,0,1|2,0,0]=4 7848 B12R0.44 CC(C)CCC(=O)NCCN(C)C 527a_100000210585_100000181311 [0,1,0,0,0,1|2,0,0]=4 7849 B12R0.44 CC(C)CCC(=O)NNCC(C)C 22a_100000696102_100000181311 [0,1,0,0,0,1|2,0,0]=4 7850 B12R0.44 CC(C)CCC(=O)NNCC(C)O 22a_200000730056_100000181311 [0,1,0,0,0,1|2,0,0]=4 7851 B12R0.44 CC(C)CCC(C)OCCC(C)Br 34a_100009893172_100011261404 [0,1,0,0,0,1|1,0,1]=4 7852 B12R0.44 CC(C)CCC(C)OCCC(C)O 34a_100011215350_100012276601 [0,1,0,0,0,1|1,0,1]=4 7853 B12R0.44 CC(C)CCC(C)OCCC(C)O 7a_100011215350_100012276601 [0,1,0,0,0,1|1,0,1]=4 7854 B12R0.44 CC(C)CCC(C)OCC[C@@H](C)N 34a_100000706166_100011261404 [0,1,0,0,0,1|1,0,1]=4 7855 B12R0.44 CC(C)CCCC(=O)CCC(C)C 1458a_100000181311_100011214892 [0,1,0,0,0,1|1,0,0]=3 7856 B12R0.44 CC(C)CCCC(=O)CCC(C)C 1458a_100011216857_100000210312 [0,1,0,0,0,1|1,0,0]=3 7857 B12R0.44 CC(C)CCCC(=O)CCC(C)O 1458a_100011216857_100012276601 [0,1,0,0,0,1|2,0,0]=4 7858 B12R0.44 CC(C)CCCC(=O)CC[S+](C)C 1458a_100009452791_100011214892 [0,1,0,0,0,1|2,0,0]=4 7859 B12R0.44 CC(C)CCCC(=O)COC(C)C 1458a_100000745533_100011214892 [0,1,0,0,0,1|1,0,0]=3 7860 B12R0.44 CC(C)CCCC(=O)CSC(C)C 1458a_100000241585_100011214892 [0,1,0,0,0,1|1,0,0]=3 7861 B12R0.44 CC(C)CCCC(=O)NCC(C)C 11a_100000210953_100011216857 [0,1,0,0,0,1|1,0,0]=3 7862 B12R0.44 CC(C)CCCC(=O)NCC(C)C 1626a_100000210953_100011216857 [0,1,0,0,0,1|1,0,0]=3 7863 B12R0.44 CC(C)CCCC(=O)NCC(C)C 240690a_100000210953_100011216857 [0,1,0,0,0,1|1,0,0]=3 7864 B12R0.44 CC(C)CCCC(=O)NCC(C)C 527a_100000210953_100011216857 [0,1,0,0,0,1|1,0,0]=3 7865 B12R0.44 CC(C)CCCC(=O)NCC(C)O 11a_100000210904_100011216857 [0,1,0,0,0,1|2,0,0]=4 7866 B12R0.44 CC(C)CCCC(=O)NCC(C)O 240690a_100000210904_100011216857 [0,1,0,0,0,1|2,0,0]=4 7867 B12R0.44 CC(C)CCCC(=O)NCC(C)O 527a_100000210904_100011216857 [0,1,0,0,0,1|2,0,0]=4 7868 B12R0.44 CC(C)CCCC(=O)NNC(C)C 22a_100000741168_100011216857 [0,1,0,0,0,1|2,0,0]=4 7869 B12R0.44 CC(C)CCNC(=O)CCC(C)C 11a_100000210545_100000181311 [0,1,0,0,0,1|1,0,0]=3 7870 B12R0.44 CC(C)CCNC(=O)CCC(C)C 1626a_100000210545_100000181311 [0,1,0,0,0,1|1,0,0]=3 7871 B12R0.44 CC(C)CCNC(=O)CCC(C)C 240690a_100000210545_100000181311 [0,1,0,0,0,1|1,0,0]=3 7872 B12R0.44 CC(C)CCNC(=O)CCC(C)C 527a_100000210545_100000181311 [0,1,0,0,0,1|1,0,0]=3 7873 B12R0.44 CC(C)CCNC(=O)CCC(C)O 1626a_100000210545_100000718519 [0,1,0,0,0,1|2,0,0]=4 7874 B12R0.44 CC(C)CCNC(=O)CCN(C)C 11a_100000210545_100000689311 [0,1,0,0,0,1|2,0,0]=4 7875 B12R0.44 CC(C)CCNC(=O)CCN(C)C 240690a_100000210545_100000689311 [0,1,0,0,0,1|2,0,0]=4 7876 B12R0.44 CC(C)CCNC(=O)CCN(C)C 527a_100000210545_100000689311 [0,1,0,0,0,1|2,0,0]=4 7877 B12R0.44 CC(C)CCNC(=O)CC[S+](C)C 11a_100000210545_100009452791 [0,1,0,0,0,1|2,0,0]=4 7878 B12R0.44 CC(C)CCNC(=O)CC[S+](C)C 1626a_100000210545_100009452791 [0,1,0,0,0,1|2,0,0]=4 7879 B12R0.44 CC(C)CCNC(=O)CC[S+](C)C 240690a_100000210545_100009452791 [0,1,0,0,0,1|2,0,0]=4 7880 B12R0.44 CC(C)CCNC(=O)COC(C)C 11a_100000210545_100000745533 [0,1,0,0,0,1|1,0,0]=3 7881 B12R0.44 CC(C)CCNC(=O)COC(C)C 1626a_100000210545_100000745533 [0,1,0,0,0,1|1,0,0]=3 7882 B12R0.44 CC(C)CCNC(=O)COC(C)C 240690a_100000210545_100000745533 [0,1,0,0,0,1|1,0,0]=3 7883 B12R0.44 CC(C)CCNC(=O)COC(C)C 527a_100000210545_100000745533 [0,1,0,0,0,1|1,0,0]=3 7884 B12R0.44 CC(C)CCNC(=O)CSC(C)C 11a_100000210545_100000241585 [0,1,0,0,0,1|1,0,0]=3 7885 B12R0.44 CC(C)CCNC(=O)CSC(C)C 1626a_100000210545_100000241585 [0,1,0,0,0,1|1,0,0]=3 7886 B12R0.44 CC(C)CCNC(=O)CSC(C)C 240690a_100000210545_100000241585 [0,1,0,0,0,1|1,0,0]=3 7887 B12R0.44 CC(C)CCNC(=O)CSC(C)C 527a_100000210545_100000241585 [0,1,0,0,0,1|1,0,0]=3 7888 B12R0.44 CC(C)CCNC(=O)NCC(C)C 2708a_100000210545_100000210953 [0,1,0,0,0,1|1,0,0]=3 7889 B12R0.44 CC(C)CCNC(=O)NCC(C)C 2708a_100000210953_100000210545 [0,1,0,0,0,1|1,0,0]=3 7890 B12R0.44 CC(C)CCNC(=O)NCC(C)C 273464a_100000210545_100000210953 [0,1,0,0,0,1|1,0,0]=3 7891 B12R0.44 CC(C)CCNC(=O)NCC(C)C 273464a_100000210953_100000210545 [0,1,0,0,0,1|1,0,0]=3 7892 B12R0.44 CC(C)CCNC(=O)NCC(C)C 512a_100000210545_100000210953 [0,1,0,0,0,1|1,0,0]=3 7893 B12R0.44 CC(C)CCNC(=O)NCC(C)C 512a_100000210953_100000210545 [0,1,0,0,0,1|1,0,0]=3 7894 B12R0.44 CC(C)CCNC(=O)NCC(C)O 2708a_100000210545_100000210904 [0,1,0,0,0,1|2,0,0]=4 7895 B12R0.44 CC(C)CCNC(=O)NCC(C)O 273464a_100000210545_100000210904 [0,1,0,0,0,1|2,0,0]=4 7896 B12R0.44 CC(C)CCNC(=O)NCC(C)O 273464a_100000210904_100000210545 [0,1,0,0,0,1|2,0,0]=4 7897 B12R0.44 CC(C)CCNC(=O)NCC(C)O 512a_100000210545_100000210904 [0,1,0,0,0,1|2,0,0]=4 7898 B12R0.44 CC(C)CCNC(=O)NCC(C)O 512a_100000210904_100000210545 [0,1,0,0,0,1|2,0,0]=4 7899 B12R0.44 CC(C)CCNC(=O)NNC(C)C 273464a_100000210545_100000741168 [0,1,0,0,0,1|2,0,0]=4 7900 B12R0.44 CC(C)CCNC(=O)NNC(C)C 512a_100000210545_100000741168 [0,1,0,0,0,1|2,0,0]=4 7901 B12R0.44 CC(C)CCNC(=O)NNC(C)C 512a_100000741168_100000210545 [0,1,0,0,0,1|2,0,0]=4 7902 B12R0.44 CC(C)CCOC(C)CCC(C)C 34a_100000210254_100011261404 [0,1,0,0,0,1|1,0,1]=4 7903 B12R0.44 CC(C)CCOC(C)CCC(C)C 34a_100011215350_100000210312 [0,1,0,0,0,1|1,0,1]=4 7904 B12R0.44 CC(C)CCOC(C)CCC(C)C 7a_100011215350_100000210626 [0,1,0,0,0,1|1,0,1]=4 7905 B12R0.44 CC(C)CNC(=O)CCCC(C)O 1626a_100000210953_100000761597 [0,1,0,0,0,1|1,0,0]=3 7906 B12R0.44 CC(C)CNC(=O)CCCC(C)O 527a_100000210953_100000761597 [0,1,0,0,0,1|1,0,0]=3 7907 B12R0.44 CC(C)CNC(=O)CCCN(C)C 11a_100000210953_100000740757 [0,1,0,0,0,1|2,0,0]=4 7908 B12R0.44 CC(C)CNC(=O)CCCN(C)C 2230a_100102631434_100011194448 [0,1,0,0,0,1|2,0,0]=4 7909 B12R0.44 CC(C)CNC(=O)CCCN(C)C 240690a_100000210953_100000740757 [0,1,0,0,0,1|2,0,0]=4 7910 B12R0.44 CC(C)CNC(=O)CCCN(C)C 269982a_100102631434_100011194448 [0,1,0,0,0,1|2,0,0]=4 7911 B12R0.44 CC(C)CNC(=O)CNCC(C)O 2230a_100000210904_100000183291 [0,1,0,0,0,1|2,0,0]=4 7912 B12R0.44 CC(C)CNC(=O)CNCC(C)O 34a_100000210904_100000183291 [0,1,0,0,0,1|2,0,0]=4 7913 B12R0.44 CC(C)CNC(=O)COCC(C)Br 34a_100012180447_100000183291 [0,1,0,0,0,1|2,0,0]=4 7914 B12R0.44 CC(C)CNC(=O)COCC(C)C 11a_100000210953_100011223364 [0,1,0,0,0,1|2,0,0]=4 7915 B12R0.44 CC(C)CNC(=O)COCC(C)C 1626a_100000210953_100011223364 [0,1,0,0,0,1|2,0,0]=4 7916 B12R0.44 CC(C)CNC(=O)COCC(C)C 240690a_100000210953_100011223364 [0,1,0,0,0,1|2,0,0]=4 7917 B12R0.44 CC(C)CNC(=O)COCC(C)C 34a_100000210257_100000183291 [0,1,0,0,0,1|2,0,0]=4 7918 B12R0.44 CC(C)CNC(=O)COCC(C)C 527a_100000210953_100011223364 [0,1,0,0,0,1|2,0,0]=4 7919 B12R0.44 CC(C)CNC(=O)COCC(C)F 34a_100015925927_100000183291 [0,1,0,0,0,1|2,0,0]=4 7920 B12R0.44 CC(C)CNC(=O)COC[C@@H](C)Cl 34a_100016084084_100000183291 [0,1,0,0,0,1|2,0,0]=4 7921 B12R0.44 CC(C)CNC(=O)COC[C@@H](C)N 34a_100000737577_100000183291 [0,1,0,0,0,1|2,0,0]=4 7922 B12R0.44 CC(C)CNC(=O)CSCC(C)C 62a_100000183291_100000210760 [0,1,0,0,0,1|2,0,0]=4 7923 B12R0.44 CC(C)CNC(=O)CSCC(C)C 62a_100000210624_100000183291 [0,1,0,0,0,1|2,0,0]=4 7924 B12R0.44 CC(C)CNC(=O)CSCC(C)O 62a_100000183291_100011218427 [0,1,0,0,0,1|2,0,0]=4 7925 B12R0.44 CC(C)CNC(=O)CSCC(C)O 62a_100011218427_100000183291 [0,1,0,0,0,1|2,0,0]=4 7926 B12R0.44 CC(C)CNC(=O)CSC[C@@H](C)O 62a_100000183291_100009817552 [0,1,0,0,0,1|2,0,0]=4 7927 B12R0.44 CC(C)CNC(=O)CSC[C@@H](C)O 62a_100009817552_100000183291 [0,1,0,0,0,1|2,0,0]=4 7928 B12R0.44 CC(C)CNC(=O)NCCC(C)O 2708a_100000210953_200000755665 [0,1,0,0,0,1|1,0,0]=3 7929 B12R0.44 CC(C)CNC(=O)NCCC(C)O 273464a_200000755665_100000210953 [0,1,0,0,0,1|1,0,0]=3 7930 B12R0.44 CC(C)CNC(=O)NCCC(C)O 512a_100000210953_200000755665 [0,1,0,0,0,1|1,0,0]=3 7931 B12R0.44 CC(C)CNC(=O)NCCC(C)O 512a_200000755665_100000210953 [0,1,0,0,0,1|1,0,0]=3 7932 B12R0.44 CC(C)CNC(=O)NCCN(C)C 2708a_100000210953_100000210585 [0,1,0,0,0,1|2,0,0]=4 7933 B12R0.44 CC(C)CNC(=O)NCCN(C)C 273464a_100000210585_100000210953 [0,1,0,0,0,1|2,0,0]=4 7934 B12R0.44 CC(C)CNC(=O)NCCN(C)C 273464a_100000210953_100000210585 [0,1,0,0,0,1|2,0,0]=4 7935 B12R0.44 CC(C)CNC(=O)NCCN(C)C 512a_100000210953_100000210585 [0,1,0,0,0,1|2,0,0]=4 7936 B12R0.44 CC(C)CNC(=O)NNCC(C)O 512a_100000210953_200000730056 [0,1,0,0,0,1|2,0,0]=4 7937 B12R0.44 CC(C)CNC(=O)NNCC(C)O 512a_200000730056_100000210953 [0,1,0,0,0,1|2,0,0]=4 7938 B12R0.44 CC(C)CNCC(=O)NCC(C)C 2230a_100000210953_100000183291 [0,1,0,0,0,1|2,0,0]=4 7939 B12R0.44 CC(C)CNCC(=O)NCC(C)C 34a_100000210953_100000183291 [0,1,0,0,0,1|2,0,0]=4 7940 B12R0.44 CC(C)CNNC(=O)COC(C)C 22a_100000696102_100000745533 [0,1,0,0,0,1|2,0,0]=4 7941 B12R0.44 CC(C)CNNC(=O)CSC(C)C 22a_100000696102_100000241585 [0,1,0,0,0,1|2,0,0]=4 7942 B12R0.44 CC(C)CNNC(=O)NCC(C)C 273464a_100000210953_100000696102 [0,1,0,0,0,1|2,0,0]=4 7943 B12R0.44 CC(C)CNNC(=O)NCC(C)C 512a_100000210953_100000696102 [0,1,0,0,0,1|2,0,0]=4 7944 B12R0.44 CC(C)CNNC(=O)NCC(C)C 512a_100000696102_100000210953 [0,1,0,0,0,1|2,0,0]=4 7945 B12R0.44 CC(C)OCC(=O)CCCN(C)C 1458a_100000745533_100000695564 [0,1,0,0,0,1|2,0,0]=4 7946 B12R0.44 CC(C)OCC(=O)CCSC(C)C 1458a_100000745533_100000730970 [0,1,0,0,0,1|2,0,0]=4 7947 B12R0.44 CC(C)OCC(=O)NCCN(C)C 240690a_100000210585_100000745533 [0,1,0,0,0,1|2,0,0]=4 7948 B12R0.44 CC(C)OCC(=O)NCCN(C)C 527a_100000210585_100000745533 [0,1,0,0,0,1|2,0,0]=4 7949 B12R0.44 CC(C)OCCC(=O)COC(C)C 1458a_100000745533_100000211751 [0,1,0,0,0,1|2,0,0]=4 7950 B12R0.44 CC(C)OCCC(=O)CSC(C)C 1458a_100000241585_100000211751 [0,1,0,0,0,1|2,0,0]=4 7951 B12R0.44 CC(C)SCC(=O)CCCN(C)C 1458a_100000241585_100000695564 [0,1,0,0,0,1|2,0,0]=4 7952 B12R0.44 CC(C)SCC(=O)NCCN(C)C 240690a_100000210585_100000241585 [0,1,0,0,0,1|2,0,0]=4 7953 B12R0.44 CC(C)SCC(=O)NCCN(C)C 527a_100000210585_100000241585 [0,1,0,0,0,1|2,0,0]=4 7954 B12R0.44 CC(C)SCCC(=O)CSC(C)C 1458a_100000241585_100000730970 [0,1,0,0,0,1|2,0,0]=4 7955 B12R0.44 CC(O)CCCC(=O)CC[S+](C)C 1458a_100009452791_200000718107 [0,1,0,0,0,1|2,0,0]=4 7956 B12R0.44 CC(O)CCCC(=O)COC(C)C 1458a_100000745533_200000718107 [0,1,0,0,0,1|1,0,0]=3 7957 B12R0.44 CC(O)CCCC(=O)CSC(C)C 1458a_100000241585_200000718107 [0,1,0,0,0,1|1,0,0]=3 7958 B12R0.44 CC(O)CCCC(=O)NCC(C)O 527a_100000210904_100000761597 [0,1,0,0,0,1|2,0,0]=4 7959 B12R0.44 CC(O)CCCC(=O)NNC(C)C 22a_100000741168_100000761597 [0,1,0,0,0,1|2,0,0]=4 7960 B12R0.44 CC(O)CCNC(=O)CCN(C)C 240690a_200000755665_100000689311 [0,1,0,0,0,1|2,0,0]=4 7961 B12R0.44 CC(O)CCNC(=O)CCN(C)C 527a_200000755665_100000689311 [0,1,0,0,0,1|2,0,0]=4 7962 B12R0.44 CC(O)CCNC(=O)CC[S+](C)C 240690a_200000755665_100009452791 [0,1,0,0,0,1|2,0,0]=4 7963 B12R0.44 CC(O)CCNC(=O)COC(C)C 240690a_200000755665_100000745533 [0,1,0,0,0,1|1,0,0]=3 7964 B12R0.44 CC(O)CCNC(=O)COC(C)C 527a_200000755665_100000745533 [0,1,0,0,0,1|1,0,0]=3 7965 B12R0.44 CC(O)CCNC(=O)CSC(C)C 240690a_200000755665_100000241585 [0,1,0,0,0,1|1,0,0]=3 7966 B12R0.44 CC(O)CCNC(=O)CSC(C)C 527a_200000755665_100000241585 [0,1,0,0,0,1|1,0,0]=3 7967 B12R0.44 CC(O)CCNC(=O)NCC(C)O 273464a_200000755665_100000210904 [0,1,0,0,0,1|2,0,0]=4 7968 B12R0.44 CC(O)CCNC(=O)NCC(C)O 512a_100000210904_200000755665 [0,1,0,0,0,1|2,0,0]=4 7969 B12R0.44 CC(O)CCNC(=O)NCC(C)O 512a_200000755665_100000210904 [0,1,0,0,0,1|2,0,0]=4 7970 B12R0.44 CC(O)CCNC(=O)NNC(C)C 273464a_200000755665_100000741168 [0,1,0,0,0,1|2,0,0]=4 7971 B12R0.44 CC(O)CCNC(=O)NNC(C)C 512a_100000741168_200000755665 [0,1,0,0,0,1|2,0,0]=4 7972 B12R0.44 CC(O)CCNC(=O)NNC(C)C 512a_200000755665_100000741168 [0,1,0,0,0,1|2,0,0]=4 7973 B12R0.44 CC(O)CNNC(=O)COC(C)C 22a_200000730056_100000745533 [0,1,0,0,0,1|2,0,0]=4 7974 B12R0.44 CC(O)CNNC(=O)CSC(C)C 22a_200000730056_100000241585 [0,1,0,0,0,1|2,0,0]=4 7975 B12R0.98 CC(C)CCC(=O)N(C)CCCO 240690a_100000213112_100000181311 [0,1,0,0,0,1|2,0,0]=4 7976 B12R0.98 CC(C)CCC(=O)N(C)CCCO 527a_100000213112_100000181311 [0,1,0,0,0,1|2,0,0]=4 7977 B12R0.98 CC(C)CNC(=O)C(=O)CCCF 1458a_200011297155_100011934791 [0,1,0,0,0,1|2,0,0]=4 7978 B12R0.98 CC(C)CNC(=O)C(=O)CCCO 1458a_200011297155_100011215043 [0,1,0,0,0,1|2,0,0]=4 7979 B12R0.98 CC(C)CNC(=O)N(C)CCCO 2708a_100000210953_100000213112 [0,1,0,0,0,1|2,0,0]=4 7980 B12R0.98 CC(C)CNC(=O)N(C)CCCO 273464a_100000210953_100000213112 [0,1,0,0,0,1|2,0,0]=4 7981 B12R0.98 CC(C)OCC(=O)N(C)CCCO 240690a_100000213112_100000745533 [0,1,0,0,0,1|2,0,0]=4 7982 B12R0.98 CC(C)OCC(=O)N(C)CCCO 527a_100000213112_100000745533 [0,1,0,0,0,1|2,0,0]=4 7983 B12R0.98 CC(C)SCC(=O)N(C)CCCO 240690a_100000213112_100000241585 [0,1,0,0,0,1|2,0,0]=4 7984 B12R0.98 CC(C)SCC(=O)N(C)CCCO 527a_100000213112_100000241585 [0,1,0,0,0,1|2,0,0]=4 7985 B12R0.98 CCC/C=C(\C)/C(=O)CCC(C)C 1458a_200020648666_100000210312 [0,1,0,0,0,1|1,0,1]=4 7986 B12R0.98 CCC/C=C(\C)/C(=O)NCC(C)C 11a_100000210953_200020648666 [0,1,0,0,0,1|1,0,1]=4 7987 B12R0.98 CCC/C=C(\C)/C(=O)NCC(C)C 1626a_100000210953_200020648666 [0,1,0,0,0,1|1,0,1]=4 7988 B12R0.98 CCC/C=C(\C)/C(=O)NCC(C)C 240690a_100000210953_200020648666 [0,1,0,0,0,1|1,0,1]=4 7989 B12R0.98 CCCCC(=O)C(=O)NCC(C)C 1458a_200011297155_100000210211 [0,1,0,0,0,1|1,0,0]=3 7990 B12R0.98 CCCCC(C)C(=O)C=CC(C)C 1458a_100016268746_200011215066 [0,1,0,0,0,1|1,0,1]=4 7991 B12R0.98 CCCCC(C)C(=O)CC=C(C)C 1458a_100000725509_100000761012 [0,1,0,0,0,1|1,0,1]=4 7992 B12R0.98 CCCCC(C)C(=O)CC=C(C)C 1458a_100011220947_200011215066 [0,1,0,0,0,1|1,0,1]=4 7993 B12R0.98 CCCCC(C)C(=O)CCC(C)C 1458a_100000181311_200011215066 [0,1,0,0,0,1|1,0,0]=3 7994 B12R0.98 CCCCC(C)C(=O)CCC(C)C 1458a_100000725509_100000210312 [0,1,0,0,0,1|1,0,0]=3 7995 B12R0.98 CCCCC(C)C(=O)CCC(C)O 1458a_100000725509_100012276601 [0,1,0,0,0,1|2,0,0]=4 7996 B12R0.98 CCCCC(C)C(=O)CC[S+](C)C 1458a_100009452791_200011215066 [0,1,0,0,0,1|2,0,0]=4 7997 B12R0.98 CCCCC(C)C(=O)COC(C)C 1458a_100000745533_200011215066 [0,1,0,0,0,1|1,0,0]=3 7998 B12R0.98 CCCCC(C)C(=O)CSC(C)C 1458a_100000241585_200011215066 [0,1,0,0,0,1|1,0,0]=3 7999 B12R0.98 CCCCC(C)C(=O)NCC(C)C 11a_100000210953_100000725509 [0,1,0,0,0,1|1,0,0]=3 8000 B12R0.98 CCCCC(C)C(=O)NCC(C)C 1626a_100000210953_100000725509 [0,1,0,0,0,1|1,0,0]=3 8001 B12R0.98 CCCCC(C)C(=O)NCC(C)C 240690a_100000210953_100000725509 [0,1,0,0,0,1|1,0,0]=3 8002 B12R0.98 CCCCC(C)C(=O)NCC(C)C 527a_100000210953_100000725509 [0,1,0,0,0,1|1,0,0]=3 8003 B12R0.98 CCCCC(C)C(=O)NCC(C)O 11a_100000210904_100000725509 [0,1,0,0,0,1|2,0,0]=4 8004 B12R0.98 CCCCC(C)C(=O)NCC(C)O 240690a_100000210904_100000725509 [0,1,0,0,0,1|2,0,0]=4 8005 B12R0.98 CCCCC(C)C(=O)NCC(C)O 527a_100000210904_100000725509 [0,1,0,0,0,1|2,0,0]=4 8006 B12R0.98 CCCCC(C)C(=O)NNC(C)C 22a_100000741168_100000725509 [0,1,0,0,0,1|2,0,0]=4 8007 B12R0.98 CCCCC(O)C(=O)CC=C(C)C 1458a_100000720857_100000761012 [0,1,0,0,0,1|1,0,1]=4 8008 B12R0.98 CCCCC(O)C(=O)CCC(C)C 1458a_100000720857_100000210312 [0,1,0,0,0,1|1,0,0]=3 8009 B12R0.98 CCCCC(O)C(=O)CCC(C)O 1458a_100000720857_100012276601 [0,1,0,0,0,1|2,0,0]=4 8010 B12R0.98 CCCCC(O)C(=O)NCC(C)C 240690a_100000210953_100000720857 [0,1,0,0,0,1|1,0,0]=3 8011 B12R0.98 CCCCC(O)C(=O)NCC(C)C 527a_100000210953_100000720857 [0,1,0,0,0,1|1,0,0]=3 8012 B12R0.98 CCCCC(O)C(=O)NCC(C)O 240690a_100000210904_100000720857 [0,1,0,0,0,1|2,0,0]=4 8013 B12R0.98 CCCCC(O)C(=O)NCC(C)O 527a_100000210904_100000720857 [0,1,0,0,0,1|2,0,0]=4 8014 B12R0.98 CCCCC(O)C(=O)NNC(C)C 22a_100000741168_100000720857 [0,1,0,0,0,1|2,0,0]=4 8015 B12R0.98 CCCCN(C)C(=O)C=CC(C)C 11a_100000207549_100016268746 [0,1,0,0,0,1|1,0,1]=4 8016 B12R0.98 CCCCN(C)C(=O)C=CC(C)C 1626a_100000207549_100016268746 [0,1,0,0,0,1|1,0,1]=4 8017 B12R0.98 CCCCN(C)C(=O)C=CC(C)C 240690a_100000207549_100016268746 [0,1,0,0,0,1|1,0,1]=4 8018 B12R0.98 CCCCN(C)C(=O)CC=C(C)C 11a_100000207549_100011220947 [0,1,0,0,0,1|1,0,1]=4 8019 B12R0.98 CCCCN(C)C(=O)CC=C(C)C 1626a_100000207549_100011220947 [0,1,0,0,0,1|1,0,1]=4 8020 B12R0.98 CCCCN(C)C(=O)CC=C(C)C 240690a_100000207549_100011220947 [0,1,0,0,0,1|1,0,1]=4 8021 B12R0.98 CCCCN(C)C(=O)CC=C(C)C 527a_100000207549_100011220947 [0,1,0,0,0,1|1,0,1]=4 8022 B12R0.98 CCCCN(C)C(=O)CCC(C)C 11a_100000207549_100000181311 [0,1,0,0,0,1|1,0,0]=3 8023 B12R0.98 CCCCN(C)C(=O)CCC(C)C 1626a_100000207549_100000181311 [0,1,0,0,0,1|1,0,0]=3 8024 B12R0.98 CCCCN(C)C(=O)CCC(C)C 240690a_100000207549_100000181311 [0,1,0,0,0,1|1,0,0]=3 8025 B12R0.98 CCCCN(C)C(=O)CCC(C)C 527a_100000207549_100000181311 [0,1,0,0,0,1|1,0,0]=3 8026 B12R0.98 CCCCN(C)C(=O)CCC(C)O 1626a_100000207549_100000718519 [0,1,0,0,0,1|2,0,0]=4 8027 B12R0.98 CCCCN(C)C(=O)CCN(C)C 11a_100000207549_100000689311 [0,1,0,0,0,1|2,0,0]=4 8028 B12R0.98 CCCCN(C)C(=O)CCN(C)C 240690a_100000207549_100000689311 [0,1,0,0,0,1|2,0,0]=4 8029 B12R0.98 CCCCN(C)C(=O)CCN(C)C 527a_100000207549_100000689311 [0,1,0,0,0,1|2,0,0]=4 8030 B12R0.98 CCCCN(C)C(=O)CC[S+](C)C 11a_100000207549_100009452791 [0,1,0,0,0,1|2,0,0]=4 8031 B12R0.98 CCCCN(C)C(=O)CC[S+](C)C 1626a_100000207549_100009452791 [0,1,0,0,0,1|2,0,0]=4 8032 B12R0.98 CCCCN(C)C(=O)CC[S+](C)C 240690a_100000207549_100009452791 [0,1,0,0,0,1|2,0,0]=4 8033 B12R0.98 CCCCN(C)C(=O)CNC(C)C 2230a_100138425928_100000230175 [0,1,0,0,0,1|1,0,0]=3 8034 B12R0.98 CCCCN(C)C(=O)CNC(C)C 34a_100138425928_100000230175 [0,1,0,0,0,1|1,0,0]=3 8035 B12R0.98 CCCCN(C)C(=O)COC(C)C 11a_100000207549_100000745533 [0,1,0,0,0,1|1,0,0]=3 8036 B12R0.98 CCCCN(C)C(=O)COC(C)C 1626a_100000207549_100000745533 [0,1,0,0,0,1|1,0,0]=3 8037 B12R0.98 CCCCN(C)C(=O)COC(C)C 240690a_100000207549_100000745533 [0,1,0,0,0,1|1,0,0]=3 8038 B12R0.98 CCCCN(C)C(=O)COC(C)C 34a_100000212225_100000230175 [0,1,0,0,0,1|1,0,0]=3 8039 B12R0.98 CCCCN(C)C(=O)COC(C)C 527a_100000207549_100000745533 [0,1,0,0,0,1|1,0,0]=3 8040 B12R0.98 CCCCN(C)C(=O)CSC(C)C 11a_100000207549_100000241585 [0,1,0,0,0,1|1,0,0]=3 8041 B12R0.98 CCCCN(C)C(=O)CSC(C)C 1626a_100000207549_100000241585 [0,1,0,0,0,1|1,0,0]=3 8042 B12R0.98 CCCCN(C)C(=O)CSC(C)C 240690a_100000207549_100000241585 [0,1,0,0,0,1|1,0,0]=3 8043 B12R0.98 CCCCN(C)C(=O)CSC(C)C 527a_100000207549_100000241585 [0,1,0,0,0,1|1,0,0]=3 8044 B12R0.98 CCCCN(C)C(=O)CSC(C)C 62a_100000210206_100000230175 [0,1,0,0,0,1|1,0,0]=3 8045 B12R0.98 CCCCN(C)C(=O)CSC(C)C 62a_100000230175_100000210206 [0,1,0,0,0,1|1,0,0]=3 8046 B12R0.98 CCCCN(C)C(=O)NCC(C)C 2708a_100000210953_100000207549 [0,1,0,0,0,1|1,0,0]=3 8047 B12R0.98 CCCCN(C)C(=O)NCC(C)C 273464a_100000210953_100000207549 [0,1,0,0,0,1|1,0,0]=3 8048 B12R0.98 CCCCN(C)C(=O)NCC(C)O 273464a_100000210904_100000207549 [0,1,0,0,0,1|2,0,0]=4 8049 B12R0.98 CCCNC(=O)C(=O)CCC(C)C 1458a_200011297150_100000210312 [0,1,0,0,0,1|2,0,0]=4 8050 B12R0.98 CCCNC(=O)C(=O)NCC(C)C 1626a_100000210953_200011297150 [0,1,0,0,0,1|2,0,0]=4 8051 B12R0.98 CCCNC(=O)C(=O)NCC(C)C 1626a_100020643023_200011297155 [0,1,0,0,0,1|2,0,0]=4 8052 B12R0.98 CCCNC(=O)C(=O)NCC(C)C 240690a_100000210953_200011297150 [0,1,0,0,0,1|2,0,0]=4 8053 B12R0.98 CCCNC(=O)C(=O)NCC(C)C 240690a_100020643023_200011297155 [0,1,0,0,0,1|2,0,0]=4 8054 B12R0.98 CCCNC(=O)C(=O)NCC(C)C 527a_100000210953_200011297150 [0,1,0,0,0,1|2,0,0]=4 8055 B12R0.98 CCCNC(=O)C(=O)NCC(C)C 527a_100020643023_200011297155 [0,1,0,0,0,1|2,0,0]=4 8056 B12R0.98 CCCNC(C)C(=O)NCC(C)C 2230a_100025753496_100000210303 [0,1,0,0,0,1|2,0,0]=4 8057 B12R0.98 CCCNC(C)C(=O)NCC(C)C 34a_100025753496_100000210303 [0,1,0,0,0,1|2,0,0]=4 8058 B12R0.98 CCCOC(C)C(=O)NCC(C)C 34a_100000210258_100000230289 [0,1,0,0,0,1|2,0,0]=4 8059 B12R0.98 CCCSC(C)C(=O)NCC(C)C 62a_100000210303_100000230289 [0,1,0,0,0,1|2,0,0]=4 8060 B12R0.98 CCCSC(C)C(=O)NCC(C)C 62a_100000230289_100000210303 [0,1,0,0,0,1|2,0,0]=4 8061 B12R0.98 COCCC(=O)C(=O)NCC(C)C 1458a_200011297155_100000233755 [0,1,0,0,0,1|2,0,0]=4 8062 B12R0.98 COCCN(C)C(=O)CCC(C)C 11a_100000743101_100000181311 [0,1,0,0,0,1|2,0,0]=4 8063 B12R0.98 COCCN(C)C(=O)CCC(C)C 1626a_100000743101_100000181311 [0,1,0,0,0,1|2,0,0]=4 8064 B12R0.98 COCCN(C)C(=O)CCC(C)C 240690a_100000743101_100000181311 [0,1,0,0,0,1|2,0,0]=4 8065 B12R0.98 COCCN(C)C(=O)CCC(C)C 527a_100000743101_100000181311 [0,1,0,0,0,1|2,0,0]=4 8066 B12R0.98 COCCN(C)C(=O)COC(C)C 11a_100000743101_100000745533 [0,1,0,0,0,1|2,0,0]=4 8067 B12R0.98 COCCN(C)C(=O)COC(C)C 1626a_100000743101_100000745533 [0,1,0,0,0,1|2,0,0]=4 8068 B12R0.98 COCCN(C)C(=O)COC(C)C 240690a_100000743101_100000745533 [0,1,0,0,0,1|2,0,0]=4 8069 B12R0.98 COCCN(C)C(=O)COC(C)C 527a_100000743101_100000745533 [0,1,0,0,0,1|2,0,0]=4 8070 B12R0.98 COCCN(C)C(=O)CSC(C)C 11a_100000743101_100000241585 [0,1,0,0,0,1|2,0,0]=4 8071 B12R0.98 COCCN(C)C(=O)CSC(C)C 1626a_100000743101_100000241585 [0,1,0,0,0,1|2,0,0]=4 8072 B12R0.98 COCCN(C)C(=O)CSC(C)C 240690a_100000743101_100000241585 [0,1,0,0,0,1|2,0,0]=4 8073 B12R0.98 COCCN(C)C(=O)CSC(C)C 527a_100000743101_100000241585 [0,1,0,0,0,1|2,0,0]=4 8074 B12R0.98 COCCN(C)C(=O)NCC(C)C 2708a_100000210953_100000743101 [0,1,0,0,0,1|2,0,0]=4 8075 B12R0.98 COCCN(C)C(=O)NCC(C)C 273464a_100000210953_100000743101 [0,1,0,0,0,1|2,0,0]=4 8076 B12R0.98 CSCCC(=O)C(=O)NCC(C)C 1458a_200011297155_100000751147 [0,1,0,0,0,1|2,0,0]=4 8077 B12R0.98 CSCCC(O)C(=O)CCC(C)C 1458a_100000685904_100000210312 [0,1,0,0,0,1|2,0,0]=4 8078 B12R0.98 CSCCC(O)C(=O)NCC(C)C 240690a_100000210953_100000685904 [0,1,0,0,0,1|2,0,0]=4 8079 B12R0.98 CSCCN(C)C(=O)CCC(C)C 11a_100000686725_100000181311 [0,1,0,0,0,1|2,0,0]=4 8080 B12R0.98 CSCCN(C)C(=O)CCC(C)C 1626a_100000686725_100000181311 [0,1,0,0,0,1|2,0,0]=4 8081 B12R0.98 CSCCN(C)C(=O)CCC(C)C 240690a_100000686725_100000181311 [0,1,0,0,0,1|2,0,0]=4 8082 B12R0.98 CSCCN(C)C(=O)CCC(C)C 527a_100000686725_100000181311 [0,1,0,0,0,1|2,0,0]=4 8083 B12R0.98 CSCCN(C)C(=O)COC(C)C 11a_100000686725_100000745533 [0,1,0,0,0,1|2,0,0]=4 8084 B12R0.98 CSCCN(C)C(=O)COC(C)C 1626a_100000686725_100000745533 [0,1,0,0,0,1|2,0,0]=4 8085 B12R0.98 CSCCN(C)C(=O)COC(C)C 240690a_100000686725_100000745533 [0,1,0,0,0,1|2,0,0]=4 8086 B12R0.98 CSCCN(C)C(=O)COC(C)C 527a_100000686725_100000745533 [0,1,0,0,0,1|2,0,0]=4 8087 B12R0.98 CSCCN(C)C(=O)CSC(C)C 11a_100000686725_100000241585 [0,1,0,0,0,1|2,0,0]=4 8088 B12R0.98 CSCCN(C)C(=O)CSC(C)C 1626a_100000686725_100000241585 [0,1,0,0,0,1|2,0,0]=4 8089 B12R0.98 CSCCN(C)C(=O)CSC(C)C 240690a_100000686725_100000241585 [0,1,0,0,0,1|2,0,0]=4 8090 B12R0.98 CSCCN(C)C(=O)CSC(C)C 527a_100000686725_100000241585 [0,1,0,0,0,1|2,0,0]=4 8091 B12R0.98 CSCCN(C)C(=O)NCC(C)C 2708a_100000210953_100000686725 [0,1,0,0,0,1|2,0,0]=4 8092 B12R0.98 CSCCN(C)C(=O)NCC(C)C 273464a_100000210953_100000686725 [0,1,0,0,0,1|2,0,0]=4 8093 B12R0.123 C=C(C)C(=O)CC(=O)OCCCC 1458a_100000185857_100000211628 [0,1,0,0,0,1|0,0,2]=4 8094 B12R0.123 CC(C)C(=O)CC(=O)CCCCO 1458a_100000695505_100000753385 [0,1,0,0,0,1|2,0,0]=4 8095 B12R0.123 CC(C)C(C)NC(=O)CCCCO 1626a_100000211541_100000695505 [0,1,0,0,0,1|2,0,0]=4 8096 B12R0.123 CC(C)C(C)NC(=O)NCCCF 2708a_100000211541_100015189416 [0,1,0,0,0,1|2,0,0]=4 8097 B12R0.123 CC(C)C(C)NC(=O)NCCCF 2708a_100015189416_100000211541 [0,1,0,0,0,1|2,0,0]=4 8098 B12R0.123 CC(C)C(C)NC(=O)NCCCF 273464a_100000211541_100015189416 [0,1,0,0,0,1|2,0,0]=4 8099 B12R0.123 CC(C)C(C)NC(=O)NCCCF 273464a_100015189416_100000211541 [0,1,0,0,0,1|2,0,0]=4 8100 B12R0.123 CC(C)C(C)NC(=O)NCCCF 512a_100000211541_100015189416 [0,1,0,0,0,1|2,0,0]=4 8101 B12R0.123 CC(C)C(C)NC(=O)NCCCF 512a_100015189416_100000211541 [0,1,0,0,0,1|2,0,0]=4 8102 B12R0.123 CC(C)C(C)NC(=O)NCCCO 2708a_100000211541_100000182051 [0,1,0,0,0,1|2,0,0]=4 8103 B12R0.123 CC(C)C(C)NC(=O)NCCCO 273464a_100000182051_100000211541 [0,1,0,0,0,1|2,0,0]=4 8104 B12R0.123 CC(C)C(C)NC(=O)NCCCO 273464a_100000211541_100000182051 [0,1,0,0,0,1|2,0,0]=4 8105 B12R0.123 CC(C)C(C)NC(=O)NCCCO 512a_100000211541_100000182051 [0,1,0,0,0,1|2,0,0]=4 8106 B12R0.123 CC(C)N(C)CC(=O)CCCCF 1458a_100000743827_100000729493 [0,1,0,0,0,1|2,0,0]=4 8107 B12R0.123 CC(C)N(C)CC(=O)CCCCO 1458a_100000743827_100000210776 [0,1,0,0,0,1|2,0,0]=4 8108 B12R0.123 CC(C)N(C)CC(=O)NCCCF 11a_100015189416_100000743827 [0,1,0,0,0,1|2,0,0]=4 8109 B12R0.123 CC(C)N(C)CC(=O)NCCCF 1626a_100015189416_100000743827 [0,1,0,0,0,1|2,0,0]=4 8110 B12R0.123 CC(C)N(C)CC(=O)NCCCF 240690a_100015189416_100000743827 [0,1,0,0,0,1|2,0,0]=4 8111 B12R0.123 CC(C)N(C)CC(=O)NCCCF 527a_100015189416_100000743827 [0,1,0,0,0,1|2,0,0]=4 8112 B12R0.123 CC(C)N(C)CC(=O)NCCCO 240690a_100000182051_100000743827 [0,1,0,0,0,1|2,0,0]=4 8113 B12R0.123 CC(C)N(C)CC(=O)NCCCO 527a_100000182051_100000743827 [0,1,0,0,0,1|2,0,0]=4 8114 B12R0.123 CCCC#CC(=O)CC(=O)C(C)C 1458a_200011218047_100000753385 [0,1,0,0,0,1|1,0,1]=4 8115 B12R0.123 CCCC#CC(=O)NC(C)C(C)C 240690a_100000211541_200011218047 [0,1,0,0,0,1|1,0,1]=4 8116 B12R0.123 CCCC=CC(=O)CC(=O)C(C)C 1458a_100000212230_100000753385 [0,1,0,0,0,1|1,0,1]=4 8117 B12R0.123 CCCC=CC(=O)NC(C)C(C)C 11a_100000211541_100000212230 [0,1,0,0,0,1|1,0,1]=4 8118 B12R0.123 CCCC=CC(=O)NC(C)C(C)C 1626a_100000211541_100000212230 [0,1,0,0,0,1|1,0,1]=4 8119 B12R0.123 CCCC=CC(=O)NC(C)C(C)C 240690a_100000211541_100000212230 [0,1,0,0,0,1|1,0,1]=4 8120 B12R0.123 CCCCCC(=O)CC(=O)C(C)C 1458a_100000210198_200012276598 [0,1,0,0,0,1|1,0,0]=3 8121 B12R0.123 CCCCCC(=O)CC(=O)C(C)C 1458a_100000212188_100000753385 [0,1,0,0,0,1|1,0,0]=3 8122 B12R0.123 CCCCCC(=O)CC(=O)C(C)F 1458a_100000062450_200012276598 [0,1,0,0,0,1|2,0,0]=4 8123 B12R0.123 CCCCCC(=O)CC(=O)N(C)C 1458a_100000212188_100000185267 [0,1,0,0,0,1|2,0,0]=4 8124 B12R0.123 CCCCCC(=O)CC(=O)[C@@H](C)O 1458a_100000717761_200012276598 [0,1,0,0,0,1|2,0,0]=4 8125 B12R0.123 CCCCCC(=O)CC(=O)[C@H](C)O 1458a_217856618621_200012276598 [0,1,0,0,0,1|2,0,0]=4 8126 B12R0.123 CCCCCC(=O)CC(C)N(C)C 1458a_100011311895_100000210326 [0,1,0,0,0,1|2,0,0]=4 8127 B12R0.123 CCCCCC(=O)CN(C)C(C)C 1458a_100000743827_100000210326 [0,1,0,0,0,1|1,0,0]=3 8128 B12R0.123 CCCCCC(=O)CN(C)C(C)C 269982a_200000211004_200012276598 [0,1,0,0,0,1|1,0,0]=3 8129 B12R0.123 CCCCCC(=O)NC(C)C(C)C 11a_100000211541_100000212188 [0,1,0,0,0,1|1,0,0]=3 8130 B12R0.123 CCCCCC(=O)NC(C)C(C)C 1626a_100000211541_100000212188 [0,1,0,0,0,1|1,0,0]=3 8131 B12R0.123 CCCCCC(=O)NC(C)C(C)C 240690a_100000211541_100000212188 [0,1,0,0,0,1|1,0,0]=3 8132 B12R0.123 CCCCCC(=O)NC(C)C(C)C 527a_100000211541_100000212188 [0,1,0,0,0,1|1,0,0]=3 8133 B12R0.123 CCCCNC(=O)CC(=O)C(C)C 1458a_100000210198_100000182744 [0,1,0,0,0,1|1,0,0]=3 8134 B12R0.123 CCCCNC(=O)CC(=O)C(C)F 1458a_100000062450_100000182744 [0,1,0,0,0,1|2,0,0]=4 8135 B12R0.123 CCCCNC(=O)CC(=O)[C@@H](C)O 1458a_100000717761_100000182744 [0,1,0,0,0,1|2,0,0]=4 8136 B12R0.123 CCCCNC(=O)CC(=O)[C@H](C)O 1458a_217856618621_100000182744 [0,1,0,0,0,1|2,0,0]=4 8137 B12R0.123 CCCCNC(=O)CC(C)N(C)C 1626a_100000102301_100011311895 [0,1,0,0,0,1|2,0,0]=4 8138 B12R0.123 CCCCNC(=O)CC(C)N(C)C 240690a_100000102301_100011311895 [0,1,0,0,0,1|2,0,0]=4 8139 B12R0.123 CCCCNC(=O)CN(C)C(C)C 11a_100000102301_100000743827 [0,1,0,0,0,1|1,0,0]=3 8140 B12R0.123 CCCCNC(=O)CN(C)C(C)C 1626a_100000102301_100000743827 [0,1,0,0,0,1|1,0,0]=3 8141 B12R0.123 CCCCNC(=O)CN(C)C(C)C 2230a_200000213093_100000210206 [0,1,0,0,0,1|1,0,0]=3 8142 B12R0.123 CCCCNC(=O)CN(C)C(C)C 240690a_100000102301_100000743827 [0,1,0,0,0,1|1,0,0]=3 8143 B12R0.123 CCCCNC(=O)CN(C)C(C)C 269982a_200000211004_100000182744 [0,1,0,0,0,1|1,0,0]=3 8144 B12R0.123 CCCCNC(=O)CN(C)C(C)C 269982a_200000213093_100000210206 [0,1,0,0,0,1|1,0,0]=3 8145 B12R0.123 CCCCNC(=O)CN(C)C(C)C 527a_100000102301_100000743827 [0,1,0,0,0,1|1,0,0]=3 8146 B12R0.123 CCCCNC(=O)NC(C)C(C)C 2708a_100000102301_100000211541 [0,1,0,0,0,1|1,0,0]=3 8147 B12R0.123 CCCCNC(=O)NC(C)C(C)C 2708a_100000211541_100000102301 [0,1,0,0,0,1|1,0,0]=3 8148 B12R0.123 CCCCNC(=O)NC(C)C(C)C 273464a_100000102301_100000211541 [0,1,0,0,0,1|1,0,0]=3 8149 B12R0.123 CCCCNC(=O)NC(C)C(C)C 273464a_100000211541_100000102301 [0,1,0,0,0,1|1,0,0]=3 8150 B12R0.123 CCCCNC(=O)NC(C)C(C)C 512a_100000102301_100000211541 [0,1,0,0,0,1|1,0,0]=3 8151 B12R0.123 CCCCNC(=O)NC(C)C(C)C 512a_100000211541_100000102301 [0,1,0,0,0,1|1,0,0]=3 8152 B12R0.123 CCCCOC(=O)CC(=O)C(C)C 1458a_100000210198_100000211628 [0,1,0,0,0,1|0,0,0]=2 8153 B12R0.123 CCCCOC(=O)CC(=O)C(C)F 1458a_100000062450_100000211628 [0,1,0,0,0,1|1,0,0]=3 8154 B12R0.123 CCCCOC(=O)CC(=O)C(O)O 1458a_100000233687_100000211628 [0,1,0,0,0,1|2,0,0]=4 8155 B12R0.123 CCCCOC(=O)CC(=O)[C@@H](C)O 1458a_100000717761_100000211628 [0,1,0,0,0,1|1,0,0]=3 8156 B12R0.123 CCCCOC(=O)CC(=O)[C@H](C)O 1458a_217856618621_100000211628 [0,1,0,0,0,1|1,0,0]=3 8157 B12R0.123 CCCCOC(=O)CN(C)C(C)C 269982a_200000211004_100000211628 [0,1,0,0,0,1|0,0,0]=2 8158 B12R0.123 CCCNNC(=O)CN(C)C(C)C 22a_100000740057_100000743827 [0,1,0,0,0,1|2,0,0]=4 8159 B12R0.123 CCCNNC(=O)NC(C)C(C)C 273464a_100000211541_100000740057 [0,1,0,0,0,1|2,0,0]=4 8160 B12R0.123 CCCNNC(=O)NC(C)C(C)C 512a_100000211541_100000740057 [0,1,0,0,0,1|2,0,0]=4 8161 B12R0.123 CCCNNC(=O)NC(C)C(C)C 512a_100000740057_100000211541 [0,1,0,0,0,1|2,0,0]=4 8162 B12R0.123 CCCOCC(=O)CC(=O)C(C)C 1458a_100000745993_100000753385 [0,1,0,0,0,1|2,0,0]=4 8163 B12R0.123 CCCOCC(=O)NC(C)C(C)C 11a_100000211541_100000745993 [0,1,0,0,0,1|2,0,0]=4 8164 B12R0.123 CCCOCC(=O)NC(C)C(C)C 1626a_100000211541_100000745993 [0,1,0,0,0,1|2,0,0]=4 8165 B12R0.123 CCCOCC(=O)NC(C)C(C)C 240690a_100000211541_100000745993 [0,1,0,0,0,1|2,0,0]=4 8166 B12R0.123 CCCOCC(=O)NC(C)C(C)C 527a_100000211541_100000745993 [0,1,0,0,0,1|2,0,0]=4 8167 B12R0.123 CCCSCC(=O)CC(=O)C(C)C 1458a_100000217233_100000753385 [0,1,0,0,0,1|2,0,0]=4 8168 B12R0.123 CCCSCC(=O)NC(C)C(C)C 11a_100000211541_100000217233 [0,1,0,0,0,1|2,0,0]=4 8169 B12R0.123 CCCSCC(=O)NC(C)C(C)C 1626a_100000211541_100000217233 [0,1,0,0,0,1|2,0,0]=4 8170 B12R0.123 CCCSCC(=O)NC(C)C(C)C 240690a_100000211541_100000217233 [0,1,0,0,0,1|2,0,0]=4 8171 B12R0.123 CCCSCC(=O)NC(C)C(C)C 527a_100000211541_100000217233 [0,1,0,0,0,1|2,0,0]=4 8172 B12R0.123 CCOCCC(=O)CC(=O)C(C)C 1458a_100000749530_100000753385 [0,1,0,0,0,1|2,0,0]=4 8173 B12R0.123 CCOCCC(=O)CN(C)C(C)C 1458a_100000743827_100011215890 [0,1,0,0,0,1|2,0,0]=4 8174 B12R0.123 CCOCCC(=O)NC(C)C(C)C 11a_100000211541_100000749530 [0,1,0,0,0,1|2,0,0]=4 8175 B12R0.123 CCOCCC(=O)NC(C)C(C)C 1626a_100000211541_100000749530 [0,1,0,0,0,1|2,0,0]=4 8176 B12R0.123 CCOCCC(=O)NC(C)C(C)C 240690a_100000211541_100000749530 [0,1,0,0,0,1|2,0,0]=4 8177 B12R0.123 CCOCCC(=O)NC(C)C(C)C 527a_100000211541_100000749530 [0,1,0,0,0,1|2,0,0]=4 8178 B12R0.123 CCSCCC(=O)CC(=O)C(C)C 1458a_100000230768_100000753385 [0,1,0,0,0,1|2,0,0]=4 8179 B12R0.123 CCSCCC(=O)CN(C)C(C)C 1458a_100000743827_100000757381 [0,1,0,0,0,1|2,0,0]=4 8180 B12R0.123 CCSCCC(=O)NC(C)C(C)C 11a_100000211541_100000230768 [0,1,0,0,0,1|2,0,0]=4 8181 B12R0.123 CCSCCC(=O)NC(C)C(C)C 1626a_100000211541_100000230768 [0,1,0,0,0,1|2,0,0]=4 8182 B12R0.123 CCSCCC(=O)NC(C)C(C)C 240690a_100000211541_100000230768 [0,1,0,0,0,1|2,0,0]=4 8183 B12R0.123 CCSCCC(=O)NC(C)C(C)C 527a_100000211541_100000230768 [0,1,0,0,0,1|2,0,0]=4 8184 B12R0.123 COCCCC(=O)CC(=O)C(C)C 1458a_100000741012_100000753385 [0,1,0,0,0,1|2,0,0]=4 8185 B12R0.123 COCCCC(=O)CN(C)C(C)C 1458a_100000743827_100000740836 [0,1,0,0,0,1|2,0,0]=4 8186 B12R0.123 COCCCC(=O)NC(C)C(C)C 11a_100000211541_100000741012 [0,1,0,0,0,1|2,0,0]=4 8187 B12R0.123 COCCCC(=O)NC(C)C(C)C 1626a_100000211541_100000741012 [0,1,0,0,0,1|2,0,0]=4 8188 B12R0.123 COCCCC(=O)NC(C)C(C)C 240690a_100000211541_100000741012 [0,1,0,0,0,1|2,0,0]=4 8189 B12R0.123 COCCCC(=O)NC(C)C(C)C 527a_100000211541_100000741012 [0,1,0,0,0,1|2,0,0]=4 8190 B12R0.123 COCCNC(=O)CC(=O)C(C)C 1458a_100000210198_100000183275 [0,1,0,0,0,1|2,0,0]=4 8191 B12R0.123 COCCNC(=O)CN(C)C(C)C 1626a_100000209980_100000743827 [0,1,0,0,0,1|2,0,0]=4 8192 B12R0.123 COCCNC(=O)CN(C)C(C)C 2230a_100020672463_100000210206 [0,1,0,0,0,1|2,0,0]=4 8193 B12R0.123 COCCNC(=O)CN(C)C(C)C 240690a_100000209980_100000743827 [0,1,0,0,0,1|2,0,0]=4 8194 B12R0.123 COCCNC(=O)CN(C)C(C)C 269982a_100020672463_100000210206 [0,1,0,0,0,1|2,0,0]=4 8195 B12R0.123 COCCNC(=O)CN(C)C(C)C 269982a_200000211004_100000183275 [0,1,0,0,0,1|2,0,0]=4 8196 B12R0.123 COCCNC(=O)CN(C)C(C)C 527a_100000209980_100000743827 [0,1,0,0,0,1|2,0,0]=4 8197 B12R0.123 COCCNC(=O)NC(C)C(C)C 2708a_100000211541_100000209980 [0,1,0,0,0,1|2,0,0]=4 8198 B12R0.123 COCCNC(=O)NC(C)C(C)C 273464a_100000209980_100000211541 [0,1,0,0,0,1|2,0,0]=4 8199 B12R0.123 COCCNC(=O)NC(C)C(C)C 273464a_100000211541_100000209980 [0,1,0,0,0,1|2,0,0]=4 8200 B12R0.123 COCCOC(=O)CC(=O)C(C)C 1458a_100000210198_200000040189 [0,1,0,0,0,1|1,0,0]=3 8201 B12R0.123 COCCOC(=O)CC(=O)C(C)F 1458a_100000062450_200000040189 [0,1,0,0,0,1|2,0,0]=4 8202 B12R0.123 COCCOC(=O)CC(=O)[C@@H](C)O 1458a_100000717761_200000040189 [0,1,0,0,0,1|2,0,0]=4 8203 B12R0.123 COCCOC(=O)CC(=O)[C@H](C)O 1458a_217856618621_200000040189 [0,1,0,0,0,1|2,0,0]=4 8204 B12R0.123 COCCOC(=O)CN(C)C(C)C 269982a_200000211004_200000040189 [0,1,0,0,0,1|1,0,0]=3 8205 B12R0.123 CSCCCC(=O)CC(=O)C(C)C 1458a_100000173376_100000753385 [0,1,0,0,0,1|2,0,0]=4 8206 B12R0.123 CSCCCC(=O)NC(C)C(C)C 11a_100000211541_100000173376 [0,1,0,0,0,1|2,0,0]=4 8207 B12R0.123 CSCCCC(=O)NC(C)C(C)C 1626a_100000211541_100000173376 [0,1,0,0,0,1|2,0,0]=4 8208 B12R0.123 CSCCCC(=O)NC(C)C(C)C 240690a_100000211541_100000173376 [0,1,0,0,0,1|2,0,0]=4 8209 B12R0.123 CSCCCC(=O)NC(C)C(C)C 527a_100000211541_100000173376 [0,1,0,0,0,1|2,0,0]=4 8210 B12R0.123 CSCCNC(=O)CN(C)C(C)C 11a_100020590264_100000743827 [0,1,0,0,0,1|2,0,0]=4 8211 B12R0.123 CSCCNC(=O)CN(C)C(C)C 1626a_100020590264_100000743827 [0,1,0,0,0,1|2,0,0]=4 8212 B12R0.123 CSCCNC(=O)CN(C)C(C)C 240690a_100020590264_100000743827 [0,1,0,0,0,1|2,0,0]=4 8213 B12R0.123 CSCCNC(=O)CN(C)C(C)C 527a_100020590264_100000743827 [0,1,0,0,0,1|2,0,0]=4 8214 B12R0.123 CSCCNC(=O)NC(C)C(C)C 2708a_100000211541_100020590264 [0,1,0,0,0,1|2,0,0]=4 8215 B12R0.123 CSCCNC(=O)NC(C)C(C)C 2708a_100020590264_100000211541 [0,1,0,0,0,1|2,0,0]=4 8216 B12R0.123 CSCCNC(=O)NC(C)C(C)C 273464a_100000211541_100020590264 [0,1,0,0,0,1|2,0,0]=4 8217 B12R0.123 CSCCNC(=O)NC(C)C(C)C 273464a_100020590264_100000211541 [0,1,0,0,0,1|2,0,0]=4 8218 B12R0.123 CSCCNC(=O)NC(C)C(C)C 512a_100000211541_100020590264 [0,1,0,0,0,1|2,0,0]=4 8219 B12R0.123 CSCCNC(=O)NC(C)C(C)C 512a_100020590264_100000211541 [0,1,0,0,0,1|2,0,0]=4 8220 B12R0.124 CCCCOC(CC)CCC(C)C 34a_100011216567_100000210210 [0,1,0,0,0,1|1,0,1]=4 8221 B12R0.124 CCCCOC(CC)CCC(C)C 7a_100011216567_100000210211 [0,1,0,0,0,1|1,0,1]=4 8222 B12R0.141 CC(C)CC(C)C(=O)CCCCO 1458a_100000695505_100000731052 [0,1,0,0,0,1|2,0,0]=4 8223 B12R0.141 CC(C)CN(C)C(=O)CCCCO 1626a_100000747067_100000695505 [0,1,0,0,0,1|2,0,0]=4 8224 B12R0.141 CC(C)CN(C)C(=O)NCCCF 2708a_100015189416_100000747067 [0,1,0,0,0,1|2,0,0]=4 8225 B12R0.141 CC(C)CN(C)C(=O)NCCCF 273464a_100015189416_100000747067 [0,1,0,0,0,1|2,0,0]=4 8226 B12R0.141 CC(C)CN(C)C(=O)NCCCO 273464a_100000182051_100000747067 [0,1,0,0,0,1|2,0,0]=4 8227 B12R0.141 CC(C)C[C@H](O)C(=O)CCCCF 1458a_100012027011_100000729493 [0,1,0,0,0,1|2,0,0]=4 8228 B12R0.141 CC(C)C[C@H](O)C(=O)CCCCO 1458a_100012027011_100000210776 [0,1,0,0,0,1|2,0,0]=4 8229 B12R0.141 CC(C)C[C@H](O)C(=O)NCCCF 1626a_100015189416_100012027011 [0,1,0,0,0,1|2,0,0]=4 8230 B12R0.141 CC(C)C[C@H](O)C(=O)NCCCF 240690a_100015189416_100012027011 [0,1,0,0,0,1|2,0,0]=4 8231 B12R0.141 CC(C)C[C@H](O)C(=O)NCCCO 240690a_100000182051_100012027011 [0,1,0,0,0,1|2,0,0]=4 8232 B12R0.141 CCCC#CC(=O)C(C)CC(C)C 1458a_200011218047_100000731052 [0,1,0,0,0,1|1,0,1]=4 8233 B12R0.141 CCCC#CC(=O)N(C)CC(C)C 240690a_100000747067_200011218047 [0,1,0,0,0,1|1,0,1]=4 8234 B12R0.141 CCCC=CC(=O)C(C)CC(C)C 1458a_100000212230_100000731052 [0,1,0,0,0,1|1,0,1]=4 8235 B12R0.141 CCCC=CC(=O)N(C)CC(C)C 11a_100000747067_100000212230 [0,1,0,0,0,1|1,0,1]=4 8236 B12R0.141 CCCC=CC(=O)N(C)CC(C)C 1626a_100000747067_100000212230 [0,1,0,0,0,1|1,0,1]=4 8237 B12R0.141 CCCC=CC(=O)N(C)CC(C)C 240690a_100000747067_100000212230 [0,1,0,0,0,1|1,0,1]=4 8238 B12R0.141 CCCCCC(=O)C(=O)NC(C)C 1458a_100011220036_100000210326 [0,1,0,0,0,1|1,0,1]=4 8239 B12R0.141 CCCCCC(=O)C(C)CC(C)C 1458a_100000212188_100000731052 [0,1,0,0,0,1|1,0,0]=3 8240 B12R0.141 CCCCCC(=O)C(C)CN(C)C 1458a_200015186601_100000210326 [0,1,0,0,0,1|2,0,0]=4 8241 B12R0.141 CCCCCC(=O)N(C)CC(C)C 11a_100000747067_100000212188 [0,1,0,0,0,1|1,0,0]=3 8242 B12R0.141 CCCCCC(=O)N(C)CC(C)C 1626a_100000747067_100000212188 [0,1,0,0,0,1|1,0,0]=3 8243 B12R0.141 CCCCCC(=O)N(C)CC(C)C 240690a_100000747067_100000212188 [0,1,0,0,0,1|1,0,0]=3 8244 B12R0.141 CCCCCC(=O)N(C)CC(C)C 527a_100000747067_100000212188 [0,1,0,0,0,1|1,0,0]=3 8245 B12R0.141 CCCCCC(=O)N(C)CC(C)O 240690a_100000227577_100000212188 [0,1,0,0,0,1|2,0,0]=4 8246 B12R0.141 CCCCCC(=O)N(C)CC(C)O 527a_100000227577_100000212188 [0,1,0,0,0,1|2,0,0]=4 8247 B12R0.141 CCCCCC(=O)[C@@H](O)CC(C)C 1458a_100012027011_100000210326 [0,1,0,0,0,1|1,0,0]=3 8248 B12R0.141 CCCCNC(=O)C(=O)NC(C)C 1626a_100000102301_100011220036 [0,1,0,0,0,1|1,0,1]=4 8249 B12R0.141 CCCCNC(=O)C(=O)NC(C)C 240690a_100000102301_100011220036 [0,1,0,0,0,1|1,0,1]=4 8250 B12R0.141 CCCCNC(=O)C(=O)NC(C)C 527a_100000102301_100011220036 [0,1,0,0,0,1|1,0,1]=4 8251 B12R0.141 CCCCNC(=O)C(C)CN(C)C 1626a_100000102301_200015186601 [0,1,0,0,0,1|2,0,0]=4 8252 B12R0.141 CCCCNC(=O)C(C)CN(C)C 240690a_100000102301_200015186601 [0,1,0,0,0,1|2,0,0]=4 8253 B12R0.141 CCCCNC(=O)C(C)NC(C)C 2230a_100138425928_100000735917 [0,1,0,0,0,1|1,0,0]=3 8254 B12R0.141 CCCCNC(=O)C(C)NC(C)C 34a_100138425928_100000735917 [0,1,0,0,0,1|1,0,0]=3 8255 B12R0.141 CCCCNC(=O)C(C)OC(C)C 34a_100000212225_100000735917 [0,1,0,0,0,1|1,0,0]=3 8256 B12R0.141 CCCCNC(=O)C(C)SC(C)C 62a_100000210206_100000735917 [0,1,0,0,0,1|1,0,0]=3 8257 B12R0.141 CCCCNC(=O)C(C)SC(C)C 62a_100000735917_100000210206 [0,1,0,0,0,1|1,0,0]=3 8258 B12R0.141 CCCCNC(=O)N(C)CC(C)C 2708a_100000102301_100000747067 [0,1,0,0,0,1|1,0,0]=3 8259 B12R0.141 CCCCNC(=O)N(C)CC(C)C 273464a_100000102301_100000747067 [0,1,0,0,0,1|1,0,0]=3 8260 B12R0.141 CCCCNC(=O)N(C)CC(C)O 2708a_100000102301_100000227577 [0,1,0,0,0,1|2,0,0]=4 8261 B12R0.141 CCCCNC(=O)[C@@H](O)CC(C)C 1626a_100000102301_100012027011 [0,1,0,0,0,1|1,0,0]=3 8262 B12R0.141 CCCCNC(=O)[C@@H](O)CC(C)C 240690a_100000102301_100012027011 [0,1,0,0,0,1|1,0,0]=3 8263 B12R0.141 CCCCOC(=O)C(C)NC(C)C 2230a_100138425928_100000759602 [0,1,0,0,0,1|0,0,0]=2 8264 B12R0.141 CCCCOC(=O)C(C)NC(C)C 34a_100138425928_100000759602 [0,1,0,0,0,1|0,0,0]=2 8265 B12R0.141 CCCCOC(=O)C(C)OC(C)C 34a_100000038973_100000210206 [0,1,0,0,0,1|0,0,0]=2 8266 B12R0.141 CCCCOC(=O)C(C)OC(C)C 34a_100000212225_100000759602 [0,1,0,0,0,1|0,0,0]=2 8267 B12R0.141 CCCCOC(=O)C(C)OC(C)C 7a_100000038973_100000210206 [0,1,0,0,0,1|0,0,0]=2 8268 B12R0.141 CCCCOC(=O)C(C)SC(C)C 62a_100000210206_100000759602 [0,1,0,0,0,1|0,0,0]=2 8269 B12R0.141 CCCCOC(=O)C(C)SC(C)C 62a_100000759602_100000210206 [0,1,0,0,0,1|0,0,0]=2 8270 B12R0.141 CCCNNC(=O)[C@@H](O)CC(C)C 22a_100000740057_100012027011 [0,1,0,0,0,1|2,0,0]=4 8271 B12R0.141 CCCOCC(=O)C(C)CC(C)C 1458a_100000745993_100000731052 [0,1,0,0,0,1|2,0,0]=4 8272 B12R0.141 CCCOCC(=O)N(C)CC(C)C 11a_100000747067_100000745993 [0,1,0,0,0,1|2,0,0]=4 8273 B12R0.141 CCCOCC(=O)N(C)CC(C)C 1626a_100000747067_100000745993 [0,1,0,0,0,1|2,0,0]=4 8274 B12R0.141 CCCOCC(=O)N(C)CC(C)C 240690a_100000747067_100000745993 [0,1,0,0,0,1|2,0,0]=4 8275 B12R0.141 CCCOCC(=O)N(C)CC(C)C 527a_100000747067_100000745993 [0,1,0,0,0,1|2,0,0]=4 8276 B12R0.141 CCCSCC(=O)C(C)CC(C)C 1458a_100000217233_100000731052 [0,1,0,0,0,1|2,0,0]=4 8277 B12R0.141 CCCSCC(=O)N(C)CC(C)C 11a_100000747067_100000217233 [0,1,0,0,0,1|2,0,0]=4 8278 B12R0.141 CCCSCC(=O)N(C)CC(C)C 1626a_100000747067_100000217233 [0,1,0,0,0,1|2,0,0]=4 8279 B12R0.141 CCCSCC(=O)N(C)CC(C)C 240690a_100000747067_100000217233 [0,1,0,0,0,1|2,0,0]=4 8280 B12R0.141 CCCSCC(=O)N(C)CC(C)C 527a_100000747067_100000217233 [0,1,0,0,0,1|2,0,0]=4 8281 B12R0.141 CCOCCC(=O)C(C)CC(C)C 1458a_100000749530_100000731052 [0,1,0,0,0,1|2,0,0]=4 8282 B12R0.141 CCOCCC(=O)N(C)CC(C)C 11a_100000747067_100000749530 [0,1,0,0,0,1|2,0,0]=4 8283 B12R0.141 CCOCCC(=O)N(C)CC(C)C 1626a_100000747067_100000749530 [0,1,0,0,0,1|2,0,0]=4 8284 B12R0.141 CCOCCC(=O)N(C)CC(C)C 240690a_100000747067_100000749530 [0,1,0,0,0,1|2,0,0]=4 8285 B12R0.141 CCOCCC(=O)N(C)CC(C)C 527a_100000747067_100000749530 [0,1,0,0,0,1|2,0,0]=4 8286 B12R0.141 CCOCCC(=O)[C@@H](O)CC(C)C 1458a_100012027011_100011215890 [0,1,0,0,0,1|2,0,0]=4 8287 B12R0.141 CCSCCC(=O)C(C)CC(C)C 1458a_100000230768_100000731052 [0,1,0,0,0,1|2,0,0]=4 8288 B12R0.141 CCSCCC(=O)N(C)CC(C)C 11a_100000747067_100000230768 [0,1,0,0,0,1|2,0,0]=4 8289 B12R0.141 CCSCCC(=O)N(C)CC(C)C 1626a_100000747067_100000230768 [0,1,0,0,0,1|2,0,0]=4 8290 B12R0.141 CCSCCC(=O)N(C)CC(C)C 240690a_100000747067_100000230768 [0,1,0,0,0,1|2,0,0]=4 8291 B12R0.141 CCSCCC(=O)N(C)CC(C)C 527a_100000747067_100000230768 [0,1,0,0,0,1|2,0,0]=4 8292 B12R0.141 CCSCCC(=O)[C@@H](O)CC(C)C 1458a_100012027011_100000757381 [0,1,0,0,0,1|2,0,0]=4 8293 B12R0.141 COCCCC(=O)C(C)CC(C)C 1458a_100000741012_100000731052 [0,1,0,0,0,1|2,0,0]=4 8294 B12R0.141 COCCCC(=O)N(C)CC(C)C 11a_100000747067_100000741012 [0,1,0,0,0,1|2,0,0]=4 8295 B12R0.141 COCCCC(=O)N(C)CC(C)C 1626a_100000747067_100000741012 [0,1,0,0,0,1|2,0,0]=4 8296 B12R0.141 COCCCC(=O)N(C)CC(C)C 240690a_100000747067_100000741012 [0,1,0,0,0,1|2,0,0]=4 8297 B12R0.141 COCCCC(=O)N(C)CC(C)C 527a_100000747067_100000741012 [0,1,0,0,0,1|2,0,0]=4 8298 B12R0.141 COCCCC(=O)[C@@H](O)CC(C)C 1458a_100012027011_100000740836 [0,1,0,0,0,1|2,0,0]=4 8299 B12R0.141 COCCNC(=O)C(C)NC(C)C 2230a_100138425928_100000230274 [0,1,0,0,0,1|2,0,0]=4 8300 B12R0.141 COCCNC(=O)C(C)SC(C)C 62a_100000210206_100000230274 [0,1,0,0,0,1|2,0,0]=4 8301 B12R0.141 COCCNC(=O)C(C)SC(C)C 62a_100000230274_100000210206 [0,1,0,0,0,1|2,0,0]=4 8302 B12R0.141 COCCNC(=O)N(C)CC(C)C 273464a_100000209980_100000747067 [0,1,0,0,0,1|2,0,0]=4 8303 B12R0.141 COCCNC(=O)[C@@H](O)CC(C)C 1626a_100000209980_100012027011 [0,1,0,0,0,1|2,0,0]=4 8304 B12R0.141 COCCNC(=O)[C@@H](O)CC(C)C 240690a_100000209980_100012027011 [0,1,0,0,0,1|2,0,0]=4 8305 B12R0.141 CSCCCC(=O)C(C)CC(C)C 1458a_100000173376_100000731052 [0,1,0,0,0,1|2,0,0]=4 8306 B12R0.141 CSCCCC(=O)N(C)CC(C)C 11a_100000747067_100000173376 [0,1,0,0,0,1|2,0,0]=4 8307 B12R0.141 CSCCCC(=O)N(C)CC(C)C 1626a_100000747067_100000173376 [0,1,0,0,0,1|2,0,0]=4 8308 B12R0.141 CSCCCC(=O)N(C)CC(C)C 240690a_100000747067_100000173376 [0,1,0,0,0,1|2,0,0]=4 8309 B12R0.141 CSCCCC(=O)N(C)CC(C)C 527a_100000747067_100000173376 [0,1,0,0,0,1|2,0,0]=4 8310 B12R0.141 CSCCNC(=O)N(C)CC(C)C 2708a_100020590264_100000747067 [0,1,0,0,0,1|2,0,0]=4 8311 B12R0.141 CSCCNC(=O)N(C)CC(C)C 273464a_100020590264_100000747067 [0,1,0,0,0,1|2,0,0]=4 8312 B12R0.141 CSCCNC(=O)[C@@H](O)CC(C)C 1626a_100020590264_100012027011 [0,1,0,0,0,1|2,0,0]=4 8313 B12R0.141 CSCCNC(=O)[C@@H](O)CC(C)C 240690a_100020590264_100012027011 [0,1,0,0,0,1|2,0,0]=4 8314 B12R0.142 C#CC(C)NCC(=O)CCCCC 2230a_100000707721_200012276598 [0,1,0,0,0,1|1,0,1]=4 8315 B12R0.142 C#CC(C)NCC(=O)CCCCC 34a_100000707721_200012276598 [0,1,0,0,0,1|1,0,1]=4 8316 B12R0.142 C#CC(C)NCC(=O)NCCCC 2230a_100000707721_100000182744 [0,1,0,0,0,1|1,0,1]=4 8317 B12R0.142 C#CC(C)NCC(=O)NCCCC 34a_100000707721_100000182744 [0,1,0,0,0,1|1,0,1]=4 8318 B12R0.142 C#CC(C)NCC(=O)OCCCC 2230a_100000707721_100000211628 [0,1,0,0,0,1|0,0,1]=3 8319 B12R0.142 C#CC(C)NCC(=O)OCCCC 34a_100000707721_100000211628 [0,1,0,0,0,1|0,0,1]=3 8320 B12R0.142 C#CC(C)NCC(=O)OCCOC 2230a_100000707721_200000040189 [0,1,0,0,0,1|1,0,1]=4 8321 B12R0.142 C#CC(C)NCC(=O)OCCOC 34a_100000707721_200000040189 [0,1,0,0,0,1|1,0,1]=4 8322 B12R0.142 C#CC(C)SCC(=O)CCCCC 62a_200000035995_200012276598 [0,1,0,0,0,1|1,0,1]=4 8323 B12R0.142 C#CC(C)SCC(=O)NCCCC 62a_200000035995_100000182744 [0,1,0,0,0,1|1,0,1]=4 8324 B12R0.142 C#CC(C)SCC(=O)OCCCC 62a_200000035995_100000211628 [0,1,0,0,0,1|0,0,1]=3 8325 B12R0.142 C#CC(C)SCC(=O)OCCOC 62a_200000035995_200000040189 [0,1,0,0,0,1|1,0,1]=4 8326 B12R0.142 C#C[C@@H](C)OCC(=O)CCCCC 34a_100009815206_200012276598 [0,1,0,0,0,1|1,0,1]=4 8327 B12R0.142 C#C[C@@H](C)OCC(=O)CCCCC 7a_100009815206_200012276598 [0,1,0,0,0,1|1,0,1]=4 8328 B12R0.142 C#C[C@@H](C)OCC(=O)NCCCC 34a_100009815206_100000182744 [0,1,0,0,0,1|1,0,1]=4 8329 B12R0.142 C#C[C@@H](C)OCC(=O)NCCCC 7a_100009815206_100000182744 [0,1,0,0,0,1|1,0,1]=4 8330 B12R0.142 C#C[C@@H](C)OCC(=O)OCCCC 34a_100009815206_100000211628 [0,1,0,0,0,1|0,0,1]=3 8331 B12R0.142 C#C[C@@H](C)OCC(=O)OCCCC 7a_100009815206_100000211628 [0,1,0,0,0,1|0,0,1]=3 8332 B12R0.142 C#C[C@@H](C)OCC(=O)OCCOC 34a_100009815206_200000040189 [0,1,0,0,0,1|1,0,1]=4 8333 B12R0.142 C#C[C@@H](C)OCC(=O)OCCOC 7a_100009815206_200000040189 [0,1,0,0,0,1|1,0,1]=4 8334 B12R0.142 C=CC(C)OCC(=O)CCCCC 34a_100000695699_200012276598 [0,1,0,0,0,1|1,0,1]=4 8335 B12R0.142 C=CC(C)OCC(=O)NCCCC 34a_100000695699_100000182744 [0,1,0,0,0,1|1,0,1]=4 8336 B12R0.142 C=CC(C)OCC(=O)OCCCC 34a_100000695699_100000211628 [0,1,0,0,0,1|0,0,1]=3 8337 B12R0.142 C=CC(C)OCC(=O)OCCOC 34a_100000695699_200000040189 [0,1,0,0,0,1|1,0,1]=4 8338 B12R0.142 C=CC(C)SCC(=O)CCCCC 62a_100011215867_200012276598 [0,1,0,0,0,1|1,0,1]=4 8339 B12R0.142 C=CC(C)SCC(=O)NCCCC 62a_100011215867_100000182744 [0,1,0,0,0,1|1,0,1]=4 8340 B12R0.142 C=CC(C)SCC(=O)OCCCC 62a_100011215867_100000211628 [0,1,0,0,0,1|0,0,1]=3 8341 B12R0.142 C=CC(C)SCC(=O)OCCOC 62a_100011215867_200000040189 [0,1,0,0,0,1|1,0,1]=4 8342 B12R0.142 CC(CO)CNC(=O)NCCCF 2708a_100015189416_100000744482 [0,1,0,0,0,1|2,0,0]=4 8343 B12R0.142 CC(CO)CNC(=O)NCCCF 273464a_100000744482_100015189416 [0,1,0,0,0,1|2,0,0]=4 8344 B12R0.142 CC(CO)CNC(=O)NCCCF 273464a_100015189416_100000744482 [0,1,0,0,0,1|2,0,0]=4 8345 B12R0.142 CC(CO)CNC(=O)NCCCF 512a_100000744482_100015189416 [0,1,0,0,0,1|2,0,0]=4 8346 B12R0.142 CC(CO)CNC(=O)NCCCF 512a_100015189416_100000744482 [0,1,0,0,0,1|2,0,0]=4 8347 B12R0.142 CC(CO)CNC(=O)NCCCO 273464a_100000182051_100000744482 [0,1,0,0,0,1|2,0,0]=4 8348 B12R0.142 CC(CO)CNC(=O)NCCCO 273464a_100000744482_100000182051 [0,1,0,0,0,1|2,0,0]=4 8349 B12R0.142 CC(CO)CNC(=O)NCCCO 512a_100000744482_100000182051 [0,1,0,0,0,1|2,0,0]=4 8350 B12R0.142 CCC(C)CCC(=O)CCCCF 1458a_100000701222_100000729493 [0,1,0,0,0,1|2,0,0]=4 8351 B12R0.142 CCC(C)CCC(=O)CCCCO 1458a_100000701222_100000210776 [0,1,0,0,0,1|2,0,0]=4 8352 B12R0.142 CCC(C)CCC(=O)CCCOC 1458a_100000701222_100000740836 [0,1,0,0,0,1|2,0,0]=4 8353 B12R0.142 CCC(C)CCC(=O)NCCCF 11a_100015189416_100000701222 [0,1,0,0,0,1|2,0,0]=4 8354 B12R0.142 CCC(C)CCC(=O)NCCCF 1626a_100015189416_100000701222 [0,1,0,0,0,1|2,0,0]=4 8355 B12R0.142 CCC(C)CCC(=O)NCCCF 240690a_100015189416_100000701222 [0,1,0,0,0,1|2,0,0]=4 8356 B12R0.142 CCC(C)CCC(=O)NCCCF 527a_100015189416_100000701222 [0,1,0,0,0,1|2,0,0]=4 8357 B12R0.142 CCC(C)CCC(=O)NCCCO 240690a_100000182051_100000701222 [0,1,0,0,0,1|2,0,0]=4 8358 B12R0.142 CCC(C)CCC(=O)NCCCO 527a_100000182051_100000701222 [0,1,0,0,0,1|2,0,0]=4 8359 B12R0.142 CCC(C)CCC(=O)NCCOC 1626a_100000209980_100000701222 [0,1,0,0,0,1|2,0,0]=4 8360 B12R0.142 CCC(C)CCC(=O)NCCOC 240690a_100000209980_100000701222 [0,1,0,0,0,1|2,0,0]=4 8361 B12R0.142 CCC(C)CCC(=O)NCCOC 527a_100000209980_100000701222 [0,1,0,0,0,1|2,0,0]=4 8362 B12R0.142 CCC(C)CCC(=O)NCCSC 11a_100020590264_100000701222 [0,1,0,0,0,1|2,0,0]=4 8363 B12R0.142 CCC(C)CCC(=O)NCCSC 1626a_100020590264_100000701222 [0,1,0,0,0,1|2,0,0]=4 8364 B12R0.142 CCC(C)CCC(=O)NCCSC 240690a_100020590264_100000701222 [0,1,0,0,0,1|2,0,0]=4 8365 B12R0.142 CCC(C)CCC(=O)NCCSC 527a_100020590264_100000701222 [0,1,0,0,0,1|2,0,0]=4 8366 B12R0.142 CCC(C)CNC(=O)CCCCO 1626a_100020588543_100000695505 [0,1,0,0,0,1|2,0,0]=4 8367 B12R0.142 CCC(C)CNC(=O)CCCOC 11a_100020588543_100000741012 [0,1,0,0,0,1|2,0,0]=4 8368 B12R0.142 CCC(C)CNC(=O)CCCOC 1626a_100020588543_100000741012 [0,1,0,0,0,1|2,0,0]=4 8369 B12R0.142 CCC(C)CNC(=O)CCCOC 240690a_100020588543_100000741012 [0,1,0,0,0,1|2,0,0]=4 8370 B12R0.142 CCC(C)CNC(=O)CCCOC 527a_100020588543_100000741012 [0,1,0,0,0,1|2,0,0]=4 8371 B12R0.142 CCC(C)CNC(=O)CCCSC 11a_100020588543_100000173376 [0,1,0,0,0,1|2,0,0]=4 8372 B12R0.142 CCC(C)CNC(=O)CCCSC 1626a_100020588543_100000173376 [0,1,0,0,0,1|2,0,0]=4 8373 B12R0.142 CCC(C)CNC(=O)CCCSC 240690a_100020588543_100000173376 [0,1,0,0,0,1|2,0,0]=4 8374 B12R0.142 CCC(C)CNC(=O)CCCSC 527a_100020588543_100000173376 [0,1,0,0,0,1|2,0,0]=4 8375 B12R0.142 CCC(C)CNC(=O)NCCCF 2708a_100015189416_100020588543 [0,1,0,0,0,1|2,0,0]=4 8376 B12R0.142 CCC(C)CNC(=O)NCCCF 2708a_100020588543_100015189416 [0,1,0,0,0,1|2,0,0]=4 8377 B12R0.142 CCC(C)CNC(=O)NCCCF 273464a_100015189416_100020588543 [0,1,0,0,0,1|2,0,0]=4 8378 B12R0.142 CCC(C)CNC(=O)NCCCF 273464a_100020588543_100015189416 [0,1,0,0,0,1|2,0,0]=4 8379 B12R0.142 CCC(C)CNC(=O)NCCCF 512a_100015189416_100020588543 [0,1,0,0,0,1|2,0,0]=4 8380 B12R0.142 CCC(C)CNC(=O)NCCCF 512a_100020588543_100015189416 [0,1,0,0,0,1|2,0,0]=4 8381 B12R0.142 CCC(C)CNC(=O)NCCCO 2708a_100020588543_100000182051 [0,1,0,0,0,1|2,0,0]=4 8382 B12R0.142 CCC(C)CNC(=O)NCCCO 273464a_100000182051_100020588543 [0,1,0,0,0,1|2,0,0]=4 8383 B12R0.142 CCC(C)CNC(=O)NCCCO 273464a_100020588543_100000182051 [0,1,0,0,0,1|2,0,0]=4 8384 B12R0.142 CCC(C)CNC(=O)NCCCO 512a_100020588543_100000182051 [0,1,0,0,0,1|2,0,0]=4 8385 B12R0.142 CCC(C)CNC(=O)NCCOC 2708a_100020588543_100000209980 [0,1,0,0,0,1|2,0,0]=4 8386 B12R0.142 CCC(C)CNC(=O)NCCOC 273464a_100000209980_100020588543 [0,1,0,0,0,1|2,0,0]=4 8387 B12R0.142 CCC(C)CNC(=O)NCCOC 273464a_100020588543_100000209980 [0,1,0,0,0,1|2,0,0]=4 8388 B12R0.142 CCC(C)CNC(=O)NCCSC 2708a_100020588543_100020590264 [0,1,0,0,0,1|2,0,0]=4 8389 B12R0.142 CCC(C)CNC(=O)NCCSC 2708a_100020590264_100020588543 [0,1,0,0,0,1|2,0,0]=4 8390 B12R0.142 CCC(C)CNC(=O)NCCSC 273464a_100020588543_100020590264 [0,1,0,0,0,1|2,0,0]=4 8391 B12R0.142 CCC(C)CNC(=O)NCCSC 273464a_100020590264_100020588543 [0,1,0,0,0,1|2,0,0]=4 8392 B12R0.142 CCC(C)CNC(=O)NCCSC 512a_100020588543_100020590264 [0,1,0,0,0,1|2,0,0]=4 8393 B12R0.142 CCC(C)CNC(=O)NCCSC 512a_100020590264_100020588543 [0,1,0,0,0,1|2,0,0]=4 8394 B12R0.142 CCC(C)NCC(=O)NCCOC 2230a_100000209981_100000183275 [0,1,0,0,0,1|2,0,0]=4 8395 B12R0.142 CCC(C)NCC(=O)NCCOC 2230a_100000754632_100000758301 [0,1,0,0,0,1|2,0,0]=4 8396 B12R0.142 CCC(C)NCC(=O)OCCOC 2230a_100000209981_200000040189 [0,1,0,0,0,1|1,0,0]=3 8397 B12R0.142 CCC(C)OCC(=O)NCCOC 7a_100000210228_100000183275 [0,1,0,0,0,1|2,0,0]=4 8398 B12R0.142 CCC(C)OCC(=O)OCCOC 7a_100000210228_200000040189 [0,1,0,0,0,1|1,0,0]=3 8399 B12R0.142 CCC(C)SCC(=O)NCCOC 62a_100000183275_100000758301 [0,1,0,0,0,1|2,0,0]=4 8400 B12R0.142 CCC(C)SCC(=O)NCCOC 62a_100000758301_100000183275 [0,1,0,0,0,1|2,0,0]=4 8401 B12R0.142 CCC(C)SCC(=O)OCCOC 62a_100000758301_200000040189 [0,1,0,0,0,1|1,0,0]=3 8402 B12R0.142 CCC(C)SCC(=O)OCCOC 62a_200000040189_100000758301 [0,1,0,0,0,1|1,0,0]=3 8403 B12R0.142 CCCC#CC(=O)NCC(C)CC 240690a_100020588543_200011218047 [0,1,0,0,0,1|1,0,1]=4 8404 B12R0.142 CCCC#CC(=O)NCC(C)CO 240690a_100000744482_200011218047 [0,1,0,0,0,1|1,0,1]=4 8405 B12R0.142 CCCC#CC(=O)NC[C@@H](C)OC 240690a_100020591295_200011218047 [0,1,0,0,0,1|1,0,1]=4 8406 B12R0.142 CCCC=CC(=O)NCC(C)CC 11a_100020588543_100000212230 [0,1,0,0,0,1|1,0,1]=4 8407 B12R0.142 CCCC=CC(=O)NCC(C)CC 1626a_100020588543_100000212230 [0,1,0,0,0,1|1,0,1]=4 8408 B12R0.142 CCCC=CC(=O)NCC(C)CC 240690a_100020588543_100000212230 [0,1,0,0,0,1|1,0,1]=4 8409 B12R0.142 CCCC=CC(=O)NCC(C)CO 240690a_100000744482_100000212230 [0,1,0,0,0,1|1,0,1]=4 8410 B12R0.142 CCCC=CC(=O)NC[C@@H](C)OC 11a_100020591295_100000212230 [0,1,0,0,0,1|1,0,1]=4 8411 B12R0.142 CCCC=CC(=O)NC[C@@H](C)OC 1626a_100020591295_100000212230 [0,1,0,0,0,1|1,0,1]=4 8412 B12R0.142 CCCC=CC(=O)NC[C@@H](C)OC 240690a_100020591295_100000212230 [0,1,0,0,0,1|1,0,1]=4 8413 B12R0.142 CCCCCC(=O)CCC(C)CC 1458a_100000701222_100000210326 [0,1,0,0,0,1|1,0,0]=3 8414 B12R0.142 CCCCCC(=O)CCN(C)CC 1458a_100000755305_100000210326 [0,1,0,0,0,1|2,0,0]=4 8415 B12R0.142 CCCCCC(=O)CNC(C)C#N 2230a_100000737613_200012276598 [0,1,0,0,0,1|1,0,1]=4 8416 B12R0.142 CCCCCC(=O)CNC(C)CC 2230a_100000209981_200012276598 [0,1,0,0,0,1|1,0,0]=3 8417 B12R0.142 CCCCCC(=O)CN[C@H](C)CO 2230a_100000737577_200012276598 [0,1,0,0,0,1|1,0,0]=3 8418 B12R0.142 CCCCCC(=O)COC(C)C#N 34a_100011218135_200012276598 [0,1,0,0,0,1|1,0,1]=4 8419 B12R0.142 CCCCCC(=O)COC(C)CC 7a_100000210228_200012276598 [0,1,0,0,0,1|1,0,0]=3 8420 B12R0.142 CCCCCC(=O)COC(C)CF 34a_100016041109_200012276598 [0,1,0,0,0,1|1,0,0]=3 8421 B12R0.142 CCCCCC(=O)COC(C)CF 7a_100016041109_200012276598 [0,1,0,0,0,1|1,0,0]=3 8422 B12R0.142 CCCCCC(=O)COC(C)CN 34a_100000210904_200012276598 [0,1,0,0,0,1|1,0,0]=3 8423 B12R0.142 CCCCCC(=O)CSC(C)C#N 62a_100000703298_200012276598 [0,1,0,0,0,1|1,0,1]=4 8424 B12R0.142 CCCCCC(=O)CSC(C)C#N 62a_200012276598_100000703298 [0,1,0,0,0,1|1,0,1]=4 8425 B12R0.142 CCCCCC(=O)CSC(C)CC 62a_100000758301_200012276598 [0,1,0,0,0,1|1,0,0]=3 8426 B12R0.142 CCCCCC(=O)CSC(C)CC 62a_200012276598_100000758301 [0,1,0,0,0,1|1,0,0]=3 8427 B12R0.142 CCCCCC(=O)CSC(C)CO 62a_100012180447_200012276598 [0,1,0,0,0,1|1,0,0]=3 8428 B12R0.142 CCCCCC(=O)CSC(C)OC 62a_100009879195_200012276598 [0,1,0,0,0,1|1,0,0]=3 8429 B12R0.142 CCCCCC(=O)CSC(C)OC 62a_200012276598_100009879195 [0,1,0,0,0,1|1,0,0]=3 8430 B12R0.142 CCCCCC(=O)CS[C@H](C)CO 62a_100016084084_200012276598 [0,1,0,0,0,1|1,0,0]=3 8431 B12R0.142 CCCCCC(=O)CS[C@H](C)CO 62a_200012276598_100016084084 [0,1,0,0,0,1|1,0,0]=3 8432 B12R0.142 CCCCCC(=O)NCC(C)CC 11a_100020588543_100000212188 [0,1,0,0,0,1|1,0,0]=3 8433 B12R0.142 CCCCCC(=O)NCC(C)CC 1626a_100020588543_100000212188 [0,1,0,0,0,1|1,0,0]=3 8434 B12R0.142 CCCCCC(=O)NCC(C)CC 240690a_100020588543_100000212188 [0,1,0,0,0,1|1,0,0]=3 8435 B12R0.142 CCCCCC(=O)NCC(C)CC 527a_100020588543_100000212188 [0,1,0,0,0,1|1,0,0]=3 8436 B12R0.142 CCCCCC(=O)NCC(C)CO 240690a_100000744482_100000212188 [0,1,0,0,0,1|1,0,0]=3 8437 B12R0.142 CCCCCC(=O)NCC(C)CO 527a_100000744482_100000212188 [0,1,0,0,0,1|1,0,0]=3 8438 B12R0.142 CCCCCC(=O)NCC(O)CC 11a_100011218483_100000212188 [0,1,0,0,0,1|2,0,0]=4 8439 B12R0.142 CCCCCC(=O)NCC(O)CC 240690a_100011218483_100000212188 [0,1,0,0,0,1|2,0,0]=4 8440 B12R0.142 CCCCCC(=O)NCC(O)CC 527a_100011218483_100000212188 [0,1,0,0,0,1|2,0,0]=4 8441 B12R0.142 CCCCCC(=O)NC[C@@H](C)OC 11a_100020591295_100000212188 [0,1,0,0,0,1|1,0,0]=3 8442 B12R0.142 CCCCCC(=O)NC[C@@H](C)OC 1626a_100020591295_100000212188 [0,1,0,0,0,1|1,0,0]=3 8443 B12R0.142 CCCCCC(=O)NC[C@@H](C)OC 240690a_100020591295_100000212188 [0,1,0,0,0,1|1,0,0]=3 8444 B12R0.142 CCCCCC(=O)NC[C@@H](C)OC 527a_100020591295_100000212188 [0,1,0,0,0,1|1,0,0]=3 8445 B12R0.142 CCCCCC(=O)NC[C@@H](F)CO 240690a_100015665980_100000212188 [0,1,0,0,0,1|2,0,0]=4 8446 B12R0.142 CCCCCC(=O)NC[C@@H](F)CO 527a_100015665980_100000212188 [0,1,0,0,0,1|2,0,0]=4 8447 B12R0.142 CCCCCC(=O)NC[C@H](O)CO 240690a_100020644852_100000212188 [0,1,0,0,0,1|2,0,0]=4 8448 B12R0.142 CCCCCC(=O)NC[C@H](O)CO 527a_100020644852_100000212188 [0,1,0,0,0,1|2,0,0]=4 8449 B12R0.142 CCCCCC(=O)NNC(C)CC 22a_100000718999_100000212188 [0,1,0,0,0,1|2,0,0]=4 8450 B12R0.142 CCCCNC(=O)CCC(C)CC 11a_100000102301_100000701222 [0,1,0,0,0,1|1,0,0]=3 8451 B12R0.142 CCCCNC(=O)CCC(C)CC 1626a_100000102301_100000701222 [0,1,0,0,0,1|1,0,0]=3 8452 B12R0.142 CCCCNC(=O)CCC(C)CC 240690a_100000102301_100000701222 [0,1,0,0,0,1|1,0,0]=3 8453 B12R0.142 CCCCNC(=O)CCC(C)CC 527a_100000102301_100000701222 [0,1,0,0,0,1|1,0,0]=3 8454 B12R0.142 CCCCNC(=O)CCC(O)CC 1626a_100000102301_203496584001 [0,1,0,0,0,1|2,0,0]=4 8455 B12R0.142 CCCCNC(=O)CCC(O)CC 240690a_100000102301_203496584001 [0,1,0,0,0,1|2,0,0]=4 8456 B12R0.142 CCCCNC(=O)CCN(C)CC 240690a_100000102301_100000755305 [0,1,0,0,0,1|2,0,0]=4 8457 B12R0.142 CCCCNC(=O)CNC(C)C#N 2230a_100000737613_100000182744 [0,1,0,0,0,1|1,0,1]=4 8458 B12R0.142 CCCCNC(=O)CNC(C)CC 2230a_100000209981_100000182744 [0,1,0,0,0,1|1,0,0]=3 8459 B12R0.142 CCCCNC(=O)CN[C@H](C)CO 2230a_100000737577_100000182744 [0,1,0,0,0,1|1,0,0]=3 8460 B12R0.142 CCCCNC(=O)COC(C)C#N 34a_100011218135_100000182744 [0,1,0,0,0,1|1,0,1]=4 8461 B12R0.142 CCCCNC(=O)COC(C)CC 7a_100000210228_100000182744 [0,1,0,0,0,1|1,0,0]=3 8462 B12R0.142 CCCCNC(=O)COC(C)CF 34a_100016041109_100000182744 [0,1,0,0,0,1|1,0,0]=3 8463 B12R0.142 CCCCNC(=O)COC(C)CF 7a_100016041109_100000182744 [0,1,0,0,0,1|1,0,0]=3 8464 B12R0.142 CCCCNC(=O)COC(C)CN 34a_100000210904_100000182744 [0,1,0,0,0,1|1,0,0]=3 8465 B12R0.142 CCCCNC(=O)CSC(C)C#N 62a_100000182744_100000703298 [0,1,0,0,0,1|1,0,1]=4 8466 B12R0.142 CCCCNC(=O)CSC(C)C#N 62a_100000703298_100000182744 [0,1,0,0,0,1|1,0,1]=4 8467 B12R0.142 CCCCNC(=O)CSC(C)CC 62a_100000182744_100000758301 [0,1,0,0,0,1|1,0,0]=3 8468 B12R0.142 CCCCNC(=O)CSC(C)CC 62a_100000758301_100000182744 [0,1,0,0,0,1|1,0,0]=3 8469 B12R0.142 CCCCNC(=O)CSC(C)CO 62a_100012180447_100000182744 [0,1,0,0,0,1|1,0,0]=3 8470 B12R0.142 CCCCNC(=O)CSC(C)OC 62a_100000182744_100009879195 [0,1,0,0,0,1|1,0,0]=3 8471 B12R0.142 CCCCNC(=O)CSC(C)OC 62a_100009879195_100000182744 [0,1,0,0,0,1|1,0,0]=3 8472 B12R0.142 CCCCNC(=O)CS[C@H](C)CO 62a_100000182744_100016084084 [0,1,0,0,0,1|1,0,0]=3 8473 B12R0.142 CCCCNC(=O)CS[C@H](C)CO 62a_100016084084_100000182744 [0,1,0,0,0,1|1,0,0]=3 8474 B12R0.142 CCCCNC(=O)NCC(C)CC 2708a_100000102301_100020588543 [0,1,0,0,0,1|1,0,0]=3 8475 B12R0.142 CCCCNC(=O)NCC(C)CC 2708a_100020588543_100000102301 [0,1,0,0,0,1|1,0,0]=3 8476 B12R0.142 CCCCNC(=O)NCC(C)CC 273464a_100000102301_100020588543 [0,1,0,0,0,1|1,0,0]=3 8477 B12R0.142 CCCCNC(=O)NCC(C)CC 273464a_100020588543_100000102301 [0,1,0,0,0,1|1,0,0]=3 8478 B12R0.142 CCCCNC(=O)NCC(C)CC 512a_100000102301_100020588543 [0,1,0,0,0,1|1,0,0]=3 8479 B12R0.142 CCCCNC(=O)NCC(C)CC 512a_100020588543_100000102301 [0,1,0,0,0,1|1,0,0]=3 8480 B12R0.142 CCCCNC(=O)NCC(C)CO 2708a_100000102301_100000744482 [0,1,0,0,0,1|1,0,0]=3 8481 B12R0.142 CCCCNC(=O)NCC(C)CO 273464a_100000102301_100000744482 [0,1,0,0,0,1|1,0,0]=3 8482 B12R0.142 CCCCNC(=O)NCC(C)CO 273464a_100000744482_100000102301 [0,1,0,0,0,1|1,0,0]=3 8483 B12R0.142 CCCCNC(=O)NCC(C)CO 512a_100000102301_100000744482 [0,1,0,0,0,1|1,0,0]=3 8484 B12R0.142 CCCCNC(=O)NCC(C)CO 512a_100000744482_100000102301 [0,1,0,0,0,1|1,0,0]=3 8485 B12R0.142 CCCCNC(=O)NCC(O)CC 2708a_100000102301_100011218483 [0,1,0,0,0,1|2,0,0]=4 8486 B12R0.142 CCCCNC(=O)NCC(O)CC 273464a_100000102301_100011218483 [0,1,0,0,0,1|2,0,0]=4 8487 B12R0.142 CCCCNC(=O)NCC(O)CC 273464a_100011218483_100000102301 [0,1,0,0,0,1|2,0,0]=4 8488 B12R0.142 CCCCNC(=O)NCC(O)CC 512a_100011218483_100000102301 [0,1,0,0,0,1|2,0,0]=4 8489 B12R0.142 CCCCNC(=O)NC[C@@H](C)OC 2708a_100000102301_100020591295 [0,1,0,0,0,1|1,0,0]=3 8490 B12R0.142 CCCCNC(=O)NC[C@@H](C)OC 2708a_100020591295_100000102301 [0,1,0,0,0,1|1,0,0]=3 8491 B12R0.142 CCCCNC(=O)NC[C@@H](C)OC 273464a_100000102301_100020591295 [0,1,0,0,0,1|1,0,0]=3 8492 B12R0.142 CCCCNC(=O)NC[C@@H](C)OC 273464a_100020591295_100000102301 [0,1,0,0,0,1|1,0,0]=3 8493 B12R0.142 CCCCNC(=O)NC[C@@H](C)OC 512a_100000102301_100020591295 [0,1,0,0,0,1|1,0,0]=3 8494 B12R0.142 CCCCNC(=O)NC[C@@H](C)OC 512a_100020591295_100000102301 [0,1,0,0,0,1|1,0,0]=3 8495 B12R0.142 CCCCNC(=O)NC[C@@H](F)CO 2708a_100000102301_100015665980 [0,1,0,0,0,1|2,0,0]=4 8496 B12R0.142 CCCCNC(=O)NC[C@@H](F)CO 273464a_100000102301_100015665980 [0,1,0,0,0,1|2,0,0]=4 8497 B12R0.142 CCCCNC(=O)NC[C@@H](F)CO 273464a_100015665980_100000102301 [0,1,0,0,0,1|2,0,0]=4 8498 B12R0.142 CCCCNC(=O)NC[C@@H](F)CO 512a_100000102301_100015665980 [0,1,0,0,0,1|2,0,0]=4 8499 B12R0.142 CCCCNC(=O)NC[C@@H](F)CO 512a_100015665980_100000102301 [0,1,0,0,0,1|2,0,0]=4 8500 B12R0.142 CCCCNC(=O)NC[C@H](O)CO 2708a_100000102301_100020644852 [0,1,0,0,0,1|2,0,0]=4 8501 B12R0.142 CCCCNC(=O)NC[C@H](O)CO 273464a_100000102301_100020644852 [0,1,0,0,0,1|2,0,0]=4 8502 B12R0.142 CCCCNC(=O)NC[C@H](O)CO 273464a_100020644852_100000102301 [0,1,0,0,0,1|2,0,0]=4 8503 B12R0.142 CCCCNC(=O)NNC(C)CC 273464a_100000102301_100000718999 [0,1,0,0,0,1|2,0,0]=4 8504 B12R0.142 CCCCNC(=O)NNC(C)CC 512a_100000102301_100000718999 [0,1,0,0,0,1|2,0,0]=4 8505 B12R0.142 CCCCNC(=O)NNC(C)CC 512a_100000718999_100000102301 [0,1,0,0,0,1|2,0,0]=4 8506 B12R0.142 CCCCOC(=O)CNC(C)C#N 2230a_100000737613_100000211628 [0,1,0,0,0,1|0,0,1]=3 8507 B12R0.142 CCCCOC(=O)CNC(C)CC 2230a_100000209981_100000211628 [0,1,0,0,0,1|0,0,0]=2 8508 B12R0.142 CCCCOC(=O)CN[C@H](C)CO 2230a_100000737577_100000211628 [0,1,0,0,0,1|0,0,0]=2 8509 B12R0.142 CCCCOC(=O)COC(C)C#N 34a_100011218135_100000211628 [0,1,0,0,0,1|0,0,1]=3 8510 B12R0.142 CCCCOC(=O)COC(C)CC 7a_100000210228_100000211628 [0,1,0,0,0,1|0,0,0]=2 8511 B12R0.142 CCCCOC(=O)COC(C)CF 34a_100016041109_100000211628 [0,1,0,0,0,1|0,0,0]=2 8512 B12R0.142 CCCCOC(=O)COC(C)CF 7a_100016041109_100000211628 [0,1,0,0,0,1|0,0,0]=2 8513 B12R0.142 CCCCOC(=O)COC(C)CN 34a_100000210904_100000211628 [0,1,0,0,0,1|0,0,0]=2 8514 B12R0.142 CCCCOC(=O)CSC(C)C#N 62a_100000211628_100000703298 [0,1,0,0,0,1|0,0,1]=3 8515 B12R0.142 CCCCOC(=O)CSC(C)C#N 62a_100000703298_100000211628 [0,1,0,0,0,1|0,0,1]=3 8516 B12R0.142 CCCCOC(=O)CSC(C)CC 62a_100000211628_100000758301 [0,1,0,0,0,1|0,0,0]=2 8517 B12R0.142 CCCCOC(=O)CSC(C)CC 62a_100000758301_100000211628 [0,1,0,0,0,1|0,0,0]=2 8518 B12R0.142 CCCCOC(=O)CSC(C)CO 62a_100012180447_100000211628 [0,1,0,0,0,1|0,0,0]=2 8519 B12R0.142 CCCCOC(=O)CSC(C)OC 62a_100000211628_100009879195 [0,1,0,0,0,1|0,0,0]=2 8520 B12R0.142 CCCCOC(=O)CSC(C)OC 62a_100009879195_100000211628 [0,1,0,0,0,1|0,0,0]=2 8521 B12R0.142 CCCCOC(=O)CSC(F)C#N 62a_100000211628_200000117898 [0,1,0,0,0,1|1,0,1]=4 8522 B12R0.142 CCCCOC(=O)CSC(F)C#N 62a_200000117898_100000211628 [0,1,0,0,0,1|1,0,1]=4 8523 B12R0.142 CCCCOC(=O)CS[C@H](C)CO 62a_100000211628_100016084084 [0,1,0,0,0,1|0,0,0]=2 8524 B12R0.142 CCCCOC(=O)CS[C@H](C)CO 62a_100016084084_100000211628 [0,1,0,0,0,1|0,0,0]=2 8525 B12R0.142 CCCCOC(C)CCC(C)CC 7a_200011216552_100000210211 [0,1,0,0,0,1|1,0,1]=4 8526 B12R0.142 CCCNNC(=O)CCC(C)CC 22a_100000740057_100000701222 [0,1,0,0,0,1|2,0,0]=4 8527 B12R0.142 CCCNNC(=O)NCC(C)CC 273464a_100020588543_100000740057 [0,1,0,0,0,1|2,0,0]=4 8528 B12R0.142 CCCNNC(=O)NCC(C)CC 512a_100000740057_100020588543 [0,1,0,0,0,1|2,0,0]=4 8529 B12R0.142 CCCNNC(=O)NCC(C)CC 512a_100020588543_100000740057 [0,1,0,0,0,1|2,0,0]=4 8530 B12R0.142 CCCNNC(=O)NCC(C)CO 273464a_100000744482_100000740057 [0,1,0,0,0,1|2,0,0]=4 8531 B12R0.142 CCCNNC(=O)NCC(C)CO 512a_100000740057_100000744482 [0,1,0,0,0,1|2,0,0]=4 8532 B12R0.142 CCCNNC(=O)NCC(C)CO 512a_100000744482_100000740057 [0,1,0,0,0,1|2,0,0]=4 8533 B12R0.142 CCCNNC(=O)NC[C@@H](C)OC 273464a_100020591295_100000740057 [0,1,0,0,0,1|2,0,0]=4 8534 B12R0.142 CCCNNC(=O)NC[C@@H](C)OC 512a_100000740057_100020591295 [0,1,0,0,0,1|2,0,0]=4 8535 B12R0.142 CCCNNC(=O)NC[C@@H](C)OC 512a_100020591295_100000740057 [0,1,0,0,0,1|2,0,0]=4 8536 B12R0.142 CCCOCC(=O)NCC(C)CC 11a_100020588543_100000745993 [0,1,0,0,0,1|2,0,0]=4 8537 B12R0.142 CCCOCC(=O)NCC(C)CC 1626a_100020588543_100000745993 [0,1,0,0,0,1|2,0,0]=4 8538 B12R0.142 CCCOCC(=O)NCC(C)CC 240690a_100020588543_100000745993 [0,1,0,0,0,1|2,0,0]=4 8539 B12R0.142 CCCOCC(=O)NCC(C)CC 527a_100020588543_100000745993 [0,1,0,0,0,1|2,0,0]=4 8540 B12R0.142 CCCOCC(=O)NCC(C)CO 240690a_100000744482_100000745993 [0,1,0,0,0,1|2,0,0]=4 8541 B12R0.142 CCCOCC(=O)NCC(C)CO 527a_100000744482_100000745993 [0,1,0,0,0,1|2,0,0]=4 8542 B12R0.142 CCCOCC(=O)NC[C@@H](C)OC 11a_100020591295_100000745993 [0,1,0,0,0,1|2,0,0]=4 8543 B12R0.142 CCCOCC(=O)NC[C@@H](C)OC 1626a_100020591295_100000745993 [0,1,0,0,0,1|2,0,0]=4 8544 B12R0.142 CCCOCC(=O)NC[C@@H](C)OC 240690a_100020591295_100000745993 [0,1,0,0,0,1|2,0,0]=4 8545 B12R0.142 CCCOCC(=O)NC[C@@H](C)OC 527a_100020591295_100000745993 [0,1,0,0,0,1|2,0,0]=4 8546 B12R0.142 CCCSCC(=O)NCC(C)CC 11a_100020588543_100000217233 [0,1,0,0,0,1|2,0,0]=4 8547 B12R0.142 CCCSCC(=O)NCC(C)CC 1626a_100020588543_100000217233 [0,1,0,0,0,1|2,0,0]=4 8548 B12R0.142 CCCSCC(=O)NCC(C)CC 240690a_100020588543_100000217233 [0,1,0,0,0,1|2,0,0]=4 8549 B12R0.142 CCCSCC(=O)NCC(C)CC 527a_100020588543_100000217233 [0,1,0,0,0,1|2,0,0]=4 8550 B12R0.142 CCCSCC(=O)NCC(C)CO 240690a_100000744482_100000217233 [0,1,0,0,0,1|2,0,0]=4 8551 B12R0.142 CCCSCC(=O)NCC(C)CO 527a_100000744482_100000217233 [0,1,0,0,0,1|2,0,0]=4 8552 B12R0.142 CCCSCC(=O)NC[C@@H](C)OC 11a_100020591295_100000217233 [0,1,0,0,0,1|2,0,0]=4 8553 B12R0.142 CCCSCC(=O)NC[C@@H](C)OC 1626a_100020591295_100000217233 [0,1,0,0,0,1|2,0,0]=4 8554 B12R0.142 CCCSCC(=O)NC[C@@H](C)OC 240690a_100020591295_100000217233 [0,1,0,0,0,1|2,0,0]=4 8555 B12R0.142 CCCSCC(=O)NC[C@@H](C)OC 527a_100020591295_100000217233 [0,1,0,0,0,1|2,0,0]=4 8556 B12R0.142 CCOCCC(=O)CCC(C)CC 1458a_100000701222_100011215890 [0,1,0,0,0,1|2,0,0]=4 8557 B12R0.142 CCOCCC(=O)NCC(C)CC 11a_100020588543_100000749530 [0,1,0,0,0,1|2,0,0]=4 8558 B12R0.142 CCOCCC(=O)NCC(C)CC 1626a_100020588543_100000749530 [0,1,0,0,0,1|2,0,0]=4 8559 B12R0.142 CCOCCC(=O)NCC(C)CC 240690a_100020588543_100000749530 [0,1,0,0,0,1|2,0,0]=4 8560 B12R0.142 CCOCCC(=O)NCC(C)CC 527a_100020588543_100000749530 [0,1,0,0,0,1|2,0,0]=4 8561 B12R0.142 CCOCCC(=O)NCC(C)CO 240690a_100000744482_100000749530 [0,1,0,0,0,1|2,0,0]=4 8562 B12R0.142 CCOCCC(=O)NCC(C)CO 527a_100000744482_100000749530 [0,1,0,0,0,1|2,0,0]=4 8563 B12R0.142 CCOCCC(=O)NC[C@@H](C)OC 11a_100020591295_100000749530 [0,1,0,0,0,1|2,0,0]=4 8564 B12R0.142 CCOCCC(=O)NC[C@@H](C)OC 1626a_100020591295_100000749530 [0,1,0,0,0,1|2,0,0]=4 8565 B12R0.142 CCOCCC(=O)NC[C@@H](C)OC 240690a_100020591295_100000749530 [0,1,0,0,0,1|2,0,0]=4 8566 B12R0.142 CCOCCC(=O)NC[C@@H](C)OC 527a_100020591295_100000749530 [0,1,0,0,0,1|2,0,0]=4 8567 B12R0.142 CCSCCC(=O)CCC(C)CC 1458a_100000701222_100000757381 [0,1,0,0,0,1|2,0,0]=4 8568 B12R0.142 CCSCCC(=O)NCC(C)CC 11a_100020588543_100000230768 [0,1,0,0,0,1|2,0,0]=4 8569 B12R0.142 CCSCCC(=O)NCC(C)CC 1626a_100020588543_100000230768 [0,1,0,0,0,1|2,0,0]=4 8570 B12R0.142 CCSCCC(=O)NCC(C)CC 240690a_100020588543_100000230768 [0,1,0,0,0,1|2,0,0]=4 8571 B12R0.142 CCSCCC(=O)NCC(C)CC 527a_100020588543_100000230768 [0,1,0,0,0,1|2,0,0]=4 8572 B12R0.142 CCSCCC(=O)NCC(C)CO 240690a_100000744482_100000230768 [0,1,0,0,0,1|2,0,0]=4 8573 B12R0.142 CCSCCC(=O)NCC(C)CO 527a_100000744482_100000230768 [0,1,0,0,0,1|2,0,0]=4 8574 B12R0.142 CCSCCC(=O)NC[C@@H](C)OC 11a_100020591295_100000230768 [0,1,0,0,0,1|2,0,0]=4 8575 B12R0.142 CCSCCC(=O)NC[C@@H](C)OC 1626a_100020591295_100000230768 [0,1,0,0,0,1|2,0,0]=4 8576 B12R0.142 CCSCCC(=O)NC[C@@H](C)OC 240690a_100020591295_100000230768 [0,1,0,0,0,1|2,0,0]=4 8577 B12R0.142 CCSCCC(=O)NC[C@@H](C)OC 527a_100020591295_100000230768 [0,1,0,0,0,1|2,0,0]=4 8578 B12R0.142 COCCCC(=O)NCC(C)CO 240690a_100000744482_100000741012 [0,1,0,0,0,1|2,0,0]=4 8579 B12R0.142 COCCCC(=O)NCC(C)CO 527a_100000744482_100000741012 [0,1,0,0,0,1|2,0,0]=4 8580 B12R0.142 COCCCC(=O)NC[C@@H](C)OC 11a_100020591295_100000741012 [0,1,0,0,0,1|2,0,0]=4 8581 B12R0.142 COCCCC(=O)NC[C@@H](C)OC 1626a_100020591295_100000741012 [0,1,0,0,0,1|2,0,0]=4 8582 B12R0.142 COCCCC(=O)NC[C@@H](C)OC 240690a_100020591295_100000741012 [0,1,0,0,0,1|2,0,0]=4 8583 B12R0.142 COCCCC(=O)NC[C@@H](C)OC 527a_100020591295_100000741012 [0,1,0,0,0,1|2,0,0]=4 8584 B12R0.142 COCCNC(=O)CNC(C)CO 2230a_100000754632_100012180447 [0,1,0,0,0,1|2,0,0]=4 8585 B12R0.142 COCCNC(=O)CN[C@H](C)CO 2230a_100000737577_100000183275 [0,1,0,0,0,1|2,0,0]=4 8586 B12R0.142 COCCNC(=O)COC(C)CF 34a_100016041109_100000183275 [0,1,0,0,0,1|2,0,0]=4 8587 B12R0.142 COCCNC(=O)COC(C)CF 7a_100016041109_100000183275 [0,1,0,0,0,1|2,0,0]=4 8588 B12R0.142 COCCNC(=O)COC(C)CN 34a_100000210904_100000183275 [0,1,0,0,0,1|2,0,0]=4 8589 B12R0.142 COCCNC(=O)CSC(C)CO 62a_100012180447_100000183275 [0,1,0,0,0,1|2,0,0]=4 8590 B12R0.142 COCCNC(=O)CSC(C)OC 62a_100000183275_100009879195 [0,1,0,0,0,1|2,0,0]=4 8591 B12R0.142 COCCNC(=O)CSC(C)OC 62a_100009879195_100000183275 [0,1,0,0,0,1|2,0,0]=4 8592 B12R0.142 COCCNC(=O)CS[C@H](C)CO 62a_100000183275_100016084084 [0,1,0,0,0,1|2,0,0]=4 8593 B12R0.142 COCCNC(=O)CS[C@H](C)CO 62a_100016084084_100000183275 [0,1,0,0,0,1|2,0,0]=4 8594 B12R0.142 COCCNC(=O)NCC(C)CO 273464a_100000209980_100000744482 [0,1,0,0,0,1|2,0,0]=4 8595 B12R0.142 COCCNC(=O)NCC(C)CO 273464a_100000744482_100000209980 [0,1,0,0,0,1|2,0,0]=4 8596 B12R0.142 COCCNC(=O)NC[C@@H](C)OC 2708a_100020591295_100000209980 [0,1,0,0,0,1|2,0,0]=4 8597 B12R0.142 COCCNC(=O)NC[C@@H](C)OC 273464a_100000209980_100020591295 [0,1,0,0,0,1|2,0,0]=4 8598 B12R0.142 COCCNC(=O)NC[C@@H](C)OC 273464a_100020591295_100000209980 [0,1,0,0,0,1|2,0,0]=4 8599 B12R0.142 COCCOC(=O)CNC(C)C#N 2230a_100000737613_200000040189 [0,1,0,0,0,1|1,0,1]=4 8600 B12R0.142 COCCOC(=O)CN[C@H](C)CO 2230a_100000737577_200000040189 [0,1,0,0,0,1|1,0,0]=3 8601 B12R0.142 COCCOC(=O)COC(C)C#N 34a_100011218135_200000040189 [0,1,0,0,0,1|1,0,1]=4 8602 B12R0.142 COCCOC(=O)COC(C)CF 34a_100016041109_200000040189 [0,1,0,0,0,1|1,0,0]=3 8603 B12R0.142 COCCOC(=O)COC(C)CF 7a_100016041109_200000040189 [0,1,0,0,0,1|1,0,0]=3 8604 B12R0.142 COCCOC(=O)COC(C)CN 34a_100000210904_200000040189 [0,1,0,0,0,1|1,0,0]=3 8605 B12R0.142 COCCOC(=O)CSC(C)C#N 62a_100000703298_200000040189 [0,1,0,0,0,1|1,0,1]=4 8606 B12R0.142 COCCOC(=O)CSC(C)C#N 62a_200000040189_100000703298 [0,1,0,0,0,1|1,0,1]=4 8607 B12R0.142 COCCOC(=O)CSC(C)CO 62a_100012180447_200000040189 [0,1,0,0,0,1|1,0,0]=3 8608 B12R0.142 COCCOC(=O)CSC(C)OC 62a_100009879195_200000040189 [0,1,0,0,0,1|1,0,0]=3 8609 B12R0.142 COCCOC(=O)CSC(C)OC 62a_200000040189_100009879195 [0,1,0,0,0,1|1,0,0]=3 8610 B12R0.142 COCCOC(=O)CS[C@H](C)CO 62a_100016084084_200000040189 [0,1,0,0,0,1|1,0,0]=3 8611 B12R0.142 COCCOC(=O)CS[C@H](C)CO 62a_200000040189_100016084084 [0,1,0,0,0,1|1,0,0]=3 8612 B12R0.142 CO[C@H](C)CNC(=O)CCCCO 1626a_100020591295_100000695505 [0,1,0,0,0,1|2,0,0]=4 8613 B12R0.142 CO[C@H](C)CNC(=O)CCCSC 11a_100020591295_100000173376 [0,1,0,0,0,1|2,0,0]=4 8614 B12R0.142 CO[C@H](C)CNC(=O)CCCSC 1626a_100020591295_100000173376 [0,1,0,0,0,1|2,0,0]=4 8615 B12R0.142 CO[C@H](C)CNC(=O)CCCSC 240690a_100020591295_100000173376 [0,1,0,0,0,1|2,0,0]=4 8616 B12R0.142 CO[C@H](C)CNC(=O)CCCSC 527a_100020591295_100000173376 [0,1,0,0,0,1|2,0,0]=4 8617 B12R0.142 CO[C@H](C)CNC(=O)NCCCF 2708a_100015189416_100020591295 [0,1,0,0,0,1|2,0,0]=4 8618 B12R0.142 CO[C@H](C)CNC(=O)NCCCF 2708a_100020591295_100015189416 [0,1,0,0,0,1|2,0,0]=4 8619 B12R0.142 CO[C@H](C)CNC(=O)NCCCF 273464a_100015189416_100020591295 [0,1,0,0,0,1|2,0,0]=4 8620 B12R0.142 CO[C@H](C)CNC(=O)NCCCF 273464a_100020591295_100015189416 [0,1,0,0,0,1|2,0,0]=4 8621 B12R0.142 CO[C@H](C)CNC(=O)NCCCF 512a_100015189416_100020591295 [0,1,0,0,0,1|2,0,0]=4 8622 B12R0.142 CO[C@H](C)CNC(=O)NCCCF 512a_100020591295_100015189416 [0,1,0,0,0,1|2,0,0]=4 8623 B12R0.142 CO[C@H](C)CNC(=O)NCCCO 2708a_100020591295_100000182051 [0,1,0,0,0,1|2,0,0]=4 8624 B12R0.142 CO[C@H](C)CNC(=O)NCCCO 273464a_100000182051_100020591295 [0,1,0,0,0,1|2,0,0]=4 8625 B12R0.142 CO[C@H](C)CNC(=O)NCCCO 273464a_100020591295_100000182051 [0,1,0,0,0,1|2,0,0]=4 8626 B12R0.142 CO[C@H](C)CNC(=O)NCCCO 512a_100020591295_100000182051 [0,1,0,0,0,1|2,0,0]=4 8627 B12R0.142 CO[C@H](C)CNC(=O)NCCSC 2708a_100020590264_100020591295 [0,1,0,0,0,1|2,0,0]=4 8628 B12R0.142 CO[C@H](C)CNC(=O)NCCSC 2708a_100020591295_100020590264 [0,1,0,0,0,1|2,0,0]=4 8629 B12R0.142 CO[C@H](C)CNC(=O)NCCSC 273464a_100020590264_100020591295 [0,1,0,0,0,1|2,0,0]=4 8630 B12R0.142 CO[C@H](C)CNC(=O)NCCSC 273464a_100020591295_100020590264 [0,1,0,0,0,1|2,0,0]=4 8631 B12R0.142 CO[C@H](C)CNC(=O)NCCSC 512a_100020590264_100020591295 [0,1,0,0,0,1|2,0,0]=4 8632 B12R0.142 CO[C@H](C)CNC(=O)NCCSC 512a_100020591295_100020590264 [0,1,0,0,0,1|2,0,0]=4 8633 B12R0.142 CSCCCC(=O)NCC(C)CO 240690a_100000744482_100000173376 [0,1,0,0,0,1|2,0,0]=4 8634 B12R0.142 CSCCCC(=O)NCC(C)CO 527a_100000744482_100000173376 [0,1,0,0,0,1|2,0,0]=4 8635 B12R0.142 CSCCNC(=O)NCC(C)CO 2708a_100020590264_100000744482 [0,1,0,0,0,1|2,0,0]=4 8636 B12R0.142 CSCCNC(=O)NCC(C)CO 273464a_100000744482_100020590264 [0,1,0,0,0,1|2,0,0]=4 8637 B12R0.142 CSCCNC(=O)NCC(C)CO 273464a_100020590264_100000744482 [0,1,0,0,0,1|2,0,0]=4 8638 B12R0.142 CSCCNC(=O)NCC(C)CO 512a_100000744482_100020590264 [0,1,0,0,0,1|2,0,0]=4 8639 B12R0.142 CSCCNC(=O)NCC(C)CO 512a_100020590264_100000744482 [0,1,0,0,0,1|2,0,0]=4 8640 B12R0.189 CC(C)CCC(=O)NCC(C)CO 240690a_100000744482_100000181311 [0,1,0,0,0,1|2,0,0]=4 8641 B12R0.189 CC(C)CCC(=O)NCC(C)CO 527a_100000744482_100000181311 [0,1,0,0,0,1|2,0,0]=4 8642 B12R0.189 CC(C)CCC(=O)NC[C@@H](F)CO 240690a_100015665980_100000181311 [0,1,0,0,0,1|2,0,0]=4 8643 B12R0.189 CC(C)CCC(=O)NC[C@@H](F)CO 527a_100015665980_100000181311 [0,1,0,0,0,1|2,0,0]=4 8644 B12R0.189 CC(C)CCC(=O)NC[C@H](O)CO 240690a_100020644852_100000181311 [0,1,0,0,0,1|2,0,0]=4 8645 B12R0.189 CC(C)CCC(=O)NC[C@H](O)CO 527a_100020644852_100000181311 [0,1,0,0,0,1|2,0,0]=4 8646 B12R0.189 CC(C)CNC(=O)NCC(C)CO 2708a_100000210953_100000744482 [0,1,0,0,0,1|2,0,0]=4 8647 B12R0.189 CC(C)CNC(=O)NCC(C)CO 273464a_100000210953_100000744482 [0,1,0,0,0,1|2,0,0]=4 8648 B12R0.189 CC(C)CNC(=O)NCC(C)CO 273464a_100000744482_100000210953 [0,1,0,0,0,1|2,0,0]=4 8649 B12R0.189 CC(C)CNC(=O)NCC(C)CO 512a_100000210953_100000744482 [0,1,0,0,0,1|2,0,0]=4 8650 B12R0.189 CC(C)CNC(=O)NCC(C)CO 512a_100000744482_100000210953 [0,1,0,0,0,1|2,0,0]=4 8651 B12R0.189 CC(C)CNC(=O)NC[C@@H](F)CO 2708a_100000210953_100015665980 [0,1,0,0,0,1|2,0,0]=4 8652 B12R0.189 CC(C)CNC(=O)NC[C@@H](F)CO 273464a_100000210953_100015665980 [0,1,0,0,0,1|2,0,0]=4 8653 B12R0.189 CC(C)CNC(=O)NC[C@@H](F)CO 273464a_100015665980_100000210953 [0,1,0,0,0,1|2,0,0]=4 8654 B12R0.189 CC(C)CNC(=O)NC[C@@H](F)CO 512a_100000210953_100015665980 [0,1,0,0,0,1|2,0,0]=4 8655 B12R0.189 CC(C)CNC(=O)NC[C@@H](F)CO 512a_100015665980_100000210953 [0,1,0,0,0,1|2,0,0]=4 8656 B12R0.189 CC(C)CNC(=O)NC[C@H](O)CO 2708a_100000210953_100020644852 [0,1,0,0,0,1|2,0,0]=4 8657 B12R0.189 CC(C)CNC(=O)NC[C@H](O)CO 273464a_100000210953_100020644852 [0,1,0,0,0,1|2,0,0]=4 8658 B12R0.189 CC(C)CNC(=O)NC[C@H](O)CO 273464a_100020644852_100000210953 [0,1,0,0,0,1|2,0,0]=4 8659 B12R0.189 CC(C)NCC(=O)NCC(O)CO 2230a_100138425928_200012027429 [0,1,0,0,0,1|2,0,0]=4 8660 B12R0.189 CC(C)NCC(=O)NCC(O)CO 34a_100138425928_200012027429 [0,1,0,0,0,1|2,0,0]=4 8661 B12R0.189 CC(C)OCC(=O)NCC(O)CO 34a_100000212225_200012027429 [0,1,0,0,0,1|2,0,0]=4 8662 B12R0.189 CC(C)OCC(=O)NC[C@@H](F)CO 240690a_100015665980_100000745533 [0,1,0,0,0,1|2,0,0]=4 8663 B12R0.189 CC(C)OCC(=O)NC[C@@H](F)CO 527a_100015665980_100000745533 [0,1,0,0,0,1|2,0,0]=4 8664 B12R0.189 CC(C)OCC(=O)NC[C@H](O)CO 240690a_100020644852_100000745533 [0,1,0,0,0,1|2,0,0]=4 8665 B12R0.189 CC(C)OCC(=O)NC[C@H](O)CO 527a_100020644852_100000745533 [0,1,0,0,0,1|2,0,0]=4 8666 B12R0.189 CC(C)SCC(=O)NCC(O)CO 62a_100000210206_200012027429 [0,1,0,0,0,1|2,0,0]=4 8667 B12R0.189 CC(C)SCC(=O)NCC(O)CO 62a_200012027429_100000210206 [0,1,0,0,0,1|2,0,0]=4 8668 B12R0.189 CC(C)SCC(=O)NC[C@@H](F)CO 240690a_100015665980_100000241585 [0,1,0,0,0,1|2,0,0]=4 8669 B12R0.189 CC(C)SCC(=O)NC[C@@H](F)CO 527a_100015665980_100000241585 [0,1,0,0,0,1|2,0,0]=4 8670 B12R0.189 CC(C)SCC(=O)NC[C@H](O)CO 240690a_100020644852_100000241585 [0,1,0,0,0,1|2,0,0]=4 8671 B12R0.189 CC(C)SCC(=O)NC[C@H](O)CO 527a_100020644852_100000241585 [0,1,0,0,0,1|2,0,0]=4 8672 B12R0.189 CC(CO)CNC(=O)COC(C)C 240690a_100000744482_100000745533 [0,1,0,0,0,1|2,0,0]=4 8673 B12R0.189 CC(CO)CNC(=O)COC(C)C 527a_100000744482_100000745533 [0,1,0,0,0,1|2,0,0]=4 8674 B12R0.189 CC(CO)CNC(=O)CSC(C)C 240690a_100000744482_100000241585 [0,1,0,0,0,1|2,0,0]=4 8675 B12R0.189 CC(CO)CNC(=O)CSC(C)C 527a_100000744482_100000241585 [0,1,0,0,0,1|2,0,0]=4 8676 B12R0.189 CCC(=O)CNC(=O)CCC(C)C 1458a_100000205584_100000210202 [0,1,0,0,0,1|1,0,1]=4 8677 B12R0.189 CCC(C)CCC(=O)CC=C(C)C 1458a_100000701222_100000761012 [0,1,0,0,0,1|1,0,1]=4 8678 B12R0.189 CCC(C)CCC(=O)CCC(C)C 1458a_100000701222_100000210312 [0,1,0,0,0,1|1,0,0]=3 8679 B12R0.189 CCC(C)CCC(=O)CCC(C)O 1458a_100000701222_100012276601 [0,1,0,0,0,1|2,0,0]=4 8680 B12R0.189 CCC(C)CCC(=O)NCC(C)C 11a_100000210953_100000701222 [0,1,0,0,0,1|1,0,0]=3 8681 B12R0.189 CCC(C)CCC(=O)NCC(C)C 1626a_100000210953_100000701222 [0,1,0,0,0,1|1,0,0]=3 8682 B12R0.189 CCC(C)CCC(=O)NCC(C)C 240690a_100000210953_100000701222 [0,1,0,0,0,1|1,0,0]=3 8683 B12R0.189 CCC(C)CCC(=O)NCC(C)C 527a_100000210953_100000701222 [0,1,0,0,0,1|1,0,0]=3 8684 B12R0.189 CCC(C)CCC(=O)NCC(C)O 11a_100000210904_100000701222 [0,1,0,0,0,1|2,0,0]=4 8685 B12R0.189 CCC(C)CCC(=O)NCC(C)O 240690a_100000210904_100000701222 [0,1,0,0,0,1|2,0,0]=4 8686 B12R0.189 CCC(C)CCC(=O)NCC(C)O 527a_100000210904_100000701222 [0,1,0,0,0,1|2,0,0]=4 8687 B12R0.189 CCC(C)CCC(=O)NNC(C)C 22a_100000741168_100000701222 [0,1,0,0,0,1|2,0,0]=4 8688 B12R0.189 CCC(C)CNC(=O)C=CC(C)C 11a_100020588543_100016268746 [0,1,0,0,0,1|1,0,1]=4 8689 B12R0.189 CCC(C)CNC(=O)C=CC(C)C 1626a_100020588543_100016268746 [0,1,0,0,0,1|1,0,1]=4 8690 B12R0.189 CCC(C)CNC(=O)C=CC(C)C 240690a_100020588543_100016268746 [0,1,0,0,0,1|1,0,1]=4 8691 B12R0.189 CCC(C)CNC(=O)CC=C(C)C 11a_100020588543_100011220947 [0,1,0,0,0,1|1,0,1]=4 8692 B12R0.189 CCC(C)CNC(=O)CC=C(C)C 1626a_100020588543_100011220947 [0,1,0,0,0,1|1,0,1]=4 8693 B12R0.189 CCC(C)CNC(=O)CC=C(C)C 240690a_100020588543_100011220947 [0,1,0,0,0,1|1,0,1]=4 8694 B12R0.189 CCC(C)CNC(=O)CC=C(C)C 527a_100020588543_100011220947 [0,1,0,0,0,1|1,0,1]=4 8695 B12R0.189 CCC(C)CNC(=O)CCC(C)C 11a_100020588543_100000181311 [0,1,0,0,0,1|1,0,0]=3 8696 B12R0.189 CCC(C)CNC(=O)CCC(C)C 1626a_100020588543_100000181311 [0,1,0,0,0,1|1,0,0]=3 8697 B12R0.189 CCC(C)CNC(=O)CCC(C)C 240690a_100020588543_100000181311 [0,1,0,0,0,1|1,0,0]=3 8698 B12R0.189 CCC(C)CNC(=O)CCC(C)C 527a_100020588543_100000181311 [0,1,0,0,0,1|1,0,0]=3 8699 B12R0.189 CCC(C)CNC(=O)CCC(C)O 1626a_100020588543_100000718519 [0,1,0,0,0,1|2,0,0]=4 8700 B12R0.189 CCC(C)CNC(=O)CCN(C)C 11a_100020588543_100000689311 [0,1,0,0,0,1|2,0,0]=4 8701 B12R0.189 CCC(C)CNC(=O)CCN(C)C 240690a_100020588543_100000689311 [0,1,0,0,0,1|2,0,0]=4 8702 B12R0.189 CCC(C)CNC(=O)CCN(C)C 527a_100020588543_100000689311 [0,1,0,0,0,1|2,0,0]=4 8703 B12R0.189 CCC(C)CNC(=O)CC[S+](C)C 11a_100020588543_100009452791 [0,1,0,0,0,1|2,0,0]=4 8704 B12R0.189 CCC(C)CNC(=O)CC[S+](C)C 1626a_100020588543_100009452791 [0,1,0,0,0,1|2,0,0]=4 8705 B12R0.189 CCC(C)CNC(=O)CC[S+](C)C 240690a_100020588543_100009452791 [0,1,0,0,0,1|2,0,0]=4 8706 B12R0.189 CCC(C)CNC(=O)COC(C)C 11a_100020588543_100000745533 [0,1,0,0,0,1|1,0,0]=3 8707 B12R0.189 CCC(C)CNC(=O)COC(C)C 1626a_100020588543_100000745533 [0,1,0,0,0,1|1,0,0]=3 8708 B12R0.189 CCC(C)CNC(=O)COC(C)C 240690a_100020588543_100000745533 [0,1,0,0,0,1|1,0,0]=3 8709 B12R0.189 CCC(C)CNC(=O)COC(C)C 527a_100020588543_100000745533 [0,1,0,0,0,1|1,0,0]=3 8710 B12R0.189 CCC(C)CNC(=O)CSC(C)C 11a_100020588543_100000241585 [0,1,0,0,0,1|1,0,0]=3 8711 B12R0.189 CCC(C)CNC(=O)CSC(C)C 1626a_100020588543_100000241585 [0,1,0,0,0,1|1,0,0]=3 8712 B12R0.189 CCC(C)CNC(=O)CSC(C)C 240690a_100020588543_100000241585 [0,1,0,0,0,1|1,0,0]=3 8713 B12R0.189 CCC(C)CNC(=O)CSC(C)C 527a_100020588543_100000241585 [0,1,0,0,0,1|1,0,0]=3 8714 B12R0.189 CCC(C)CNC(=O)NCC(C)C 2708a_100000210953_100020588543 [0,1,0,0,0,1|1,0,0]=3 8715 B12R0.189 CCC(C)CNC(=O)NCC(C)C 2708a_100020588543_100000210953 [0,1,0,0,0,1|1,0,0]=3 8716 B12R0.189 CCC(C)CNC(=O)NCC(C)C 273464a_100000210953_100020588543 [0,1,0,0,0,1|1,0,0]=3 8717 B12R0.189 CCC(C)CNC(=O)NCC(C)C 273464a_100020588543_100000210953 [0,1,0,0,0,1|1,0,0]=3 8718 B12R0.189 CCC(C)CNC(=O)NCC(C)C 512a_100000210953_100020588543 [0,1,0,0,0,1|1,0,0]=3 8719 B12R0.189 CCC(C)CNC(=O)NCC(C)C 512a_100020588543_100000210953 [0,1,0,0,0,1|1,0,0]=3 8720 B12R0.189 CCC(C)CNC(=O)NCC(C)O 2708a_100020588543_100000210904 [0,1,0,0,0,1|2,0,0]=4 8721 B12R0.189 CCC(C)CNC(=O)NCC(C)O 273464a_100000210904_100020588543 [0,1,0,0,0,1|2,0,0]=4 8722 B12R0.189 CCC(C)CNC(=O)NCC(C)O 273464a_100020588543_100000210904 [0,1,0,0,0,1|2,0,0]=4 8723 B12R0.189 CCC(C)CNC(=O)NCC(C)O 512a_100000210904_100020588543 [0,1,0,0,0,1|2,0,0]=4 8724 B12R0.189 CCC(C)CNC(=O)NCC(C)O 512a_100020588543_100000210904 [0,1,0,0,0,1|2,0,0]=4 8725 B12R0.189 CCC(C)CNC(=O)NNC(C)C 273464a_100020588543_100000741168 [0,1,0,0,0,1|2,0,0]=4 8726 B12R0.189 CCC(C)CNC(=O)NNC(C)C 512a_100000741168_100020588543 [0,1,0,0,0,1|2,0,0]=4 8727 B12R0.189 CCC(C)CNC(=O)NNC(C)C 512a_100020588543_100000741168 [0,1,0,0,0,1|2,0,0]=4 8728 B12R0.189 CCC(C)COC(C)CCC(C)C 34a_100011215350_100000748023 [0,1,0,0,0,1|1,0,1]=4 8729 B12R0.189 CCC(C)COC(C)CCC(C)C 7a_100011215350_100000748023 [0,1,0,0,0,1|1,0,1]=4 8730 B12R0.189 CCC(C)NCC(=O)NCC(C)C 2230a_100000209981_100000183291 [0,1,0,0,0,1|2,0,0]=4 8731 B12R0.189 CCC(C)NNC(=O)CCC(C)C 22a_100000718999_100000181311 [0,1,0,0,0,1|2,0,0]=4 8732 B12R0.189 CCC(C)NNC(=O)COC(C)C 22a_100000718999_100000745533 [0,1,0,0,0,1|2,0,0]=4 8733 B12R0.189 CCC(C)NNC(=O)CSC(C)C 22a_100000718999_100000241585 [0,1,0,0,0,1|2,0,0]=4 8734 B12R0.189 CCC(C)NNC(=O)NCC(C)C 273464a_100000210953_100000718999 [0,1,0,0,0,1|2,0,0]=4 8735 B12R0.189 CCC(C)NNC(=O)NCC(C)C 512a_100000210953_100000718999 [0,1,0,0,0,1|2,0,0]=4 8736 B12R0.189 CCC(C)NNC(=O)NCC(C)C 512a_100000718999_100000210953 [0,1,0,0,0,1|2,0,0]=4 8737 B12R0.189 CCC(C)OCC(=O)NCC(C)C 7a_100000210228_100000183291 [0,1,0,0,0,1|2,0,0]=4 8738 B12R0.189 CCC(C)SCC(=O)NCC(C)C 62a_100000183291_100000758301 [0,1,0,0,0,1|2,0,0]=4 8739 B12R0.189 CCC(C)SCC(=O)NCC(C)C 62a_100000758301_100000183291 [0,1,0,0,0,1|2,0,0]=4 8740 B12R0.189 CCC(O)CCC(=O)NCC(C)C 1626a_100000210953_203496584001 [0,1,0,0,0,1|1,0,0]=3 8741 B12R0.189 CCC(O)CCC(=O)NCC(C)C 240690a_100000210953_203496584001 [0,1,0,0,0,1|1,0,0]=3 8742 B12R0.189 CCC(O)CCC(=O)NCC(C)O 240690a_100000210904_203496584001 [0,1,0,0,0,1|2,0,0]=4 8743 B12R0.189 CCC(O)CCC(=O)NNC(C)C 22a_100000741168_203496584001 [0,1,0,0,0,1|2,0,0]=4 8744 B12R0.189 CCC(O)CNC(=O)C=CC(C)C 11a_100011218483_100016268746 [0,1,0,0,0,1|1,0,1]=4 8745 B12R0.189 CCC(O)CNC(=O)C=CC(C)C 240690a_100011218483_100016268746 [0,1,0,0,0,1|1,0,1]=4 8746 B12R0.189 CCC(O)CNC(=O)CC=C(C)C 11a_100011218483_100011220947 [0,1,0,0,0,1|1,0,1]=4 8747 B12R0.189 CCC(O)CNC(=O)CC=C(C)C 240690a_100011218483_100011220947 [0,1,0,0,0,1|1,0,1]=4 8748 B12R0.189 CCC(O)CNC(=O)CC=C(C)C 527a_100011218483_100011220947 [0,1,0,0,0,1|1,0,1]=4 8749 B12R0.189 CCC(O)CNC(=O)CCC(C)C 11a_100011218483_100000181311 [0,1,0,0,0,1|1,0,0]=3 8750 B12R0.189 CCC(O)CNC(=O)CCC(C)C 240690a_100011218483_100000181311 [0,1,0,0,0,1|1,0,0]=3 8751 B12R0.189 CCC(O)CNC(=O)CCC(C)C 527a_100011218483_100000181311 [0,1,0,0,0,1|1,0,0]=3 8752 B12R0.189 CCC(O)CNC(=O)CCN(C)C 11a_100011218483_100000689311 [0,1,0,0,0,1|2,0,0]=4 8753 B12R0.189 CCC(O)CNC(=O)CCN(C)C 240690a_100011218483_100000689311 [0,1,0,0,0,1|2,0,0]=4 8754 B12R0.189 CCC(O)CNC(=O)CCN(C)C 527a_100011218483_100000689311 [0,1,0,0,0,1|2,0,0]=4 8755 B12R0.189 CCC(O)CNC(=O)CC[S+](C)C 11a_100011218483_100009452791 [0,1,0,0,0,1|2,0,0]=4 8756 B12R0.189 CCC(O)CNC(=O)CC[S+](C)C 240690a_100011218483_100009452791 [0,1,0,0,0,1|2,0,0]=4 8757 B12R0.189 CCC(O)CNC(=O)COC(C)C 11a_100011218483_100000745533 [0,1,0,0,0,1|1,0,0]=3 8758 B12R0.189 CCC(O)CNC(=O)COC(C)C 240690a_100011218483_100000745533 [0,1,0,0,0,1|1,0,0]=3 8759 B12R0.189 CCC(O)CNC(=O)COC(C)C 527a_100011218483_100000745533 [0,1,0,0,0,1|1,0,0]=3 8760 B12R0.189 CCC(O)CNC(=O)CSC(C)C 11a_100011218483_100000241585 [0,1,0,0,0,1|1,0,0]=3 8761 B12R0.189 CCC(O)CNC(=O)CSC(C)C 240690a_100011218483_100000241585 [0,1,0,0,0,1|1,0,0]=3 8762 B12R0.189 CCC(O)CNC(=O)CSC(C)C 527a_100011218483_100000241585 [0,1,0,0,0,1|1,0,0]=3 8763 B12R0.189 CCC(O)CNC(=O)NCC(C)C 2708a_100000210953_100011218483 [0,1,0,0,0,1|1,0,0]=3 8764 B12R0.189 CCC(O)CNC(=O)NCC(C)C 273464a_100000210953_100011218483 [0,1,0,0,0,1|1,0,0]=3 8765 B12R0.189 CCC(O)CNC(=O)NCC(C)C 273464a_100011218483_100000210953 [0,1,0,0,0,1|1,0,0]=3 8766 B12R0.189 CCC(O)CNC(=O)NCC(C)C 512a_100011218483_100000210953 [0,1,0,0,0,1|1,0,0]=3 8767 B12R0.189 CCC(O)CNC(=O)NCC(C)O 273464a_100000210904_100011218483 [0,1,0,0,0,1|2,0,0]=4 8768 B12R0.189 CCC(O)CNC(=O)NCC(C)O 273464a_100011218483_100000210904 [0,1,0,0,0,1|2,0,0]=4 8769 B12R0.189 CCC(O)CNC(=O)NCC(C)O 512a_100011218483_100000210904 [0,1,0,0,0,1|2,0,0]=4 8770 B12R0.189 CCC(O)CNC(=O)NNC(C)C 273464a_100011218483_100000741168 [0,1,0,0,0,1|2,0,0]=4 8771 B12R0.189 CCC(O)CNC(=O)NNC(C)C 512a_100011218483_100000741168 [0,1,0,0,0,1|2,0,0]=4 8772 B12R0.189 CCC(O)COC(C)CCC(C)C 34a_100011215350_100011218378 [0,1,0,0,0,1|1,0,1]=4 8773 B12R0.189 CCC(O)COC(C)CCC(C)C 7a_100011215350_100011218378 [0,1,0,0,0,1|1,0,1]=4 8774 B12R0.189 CCN(C)CCC(=O)CCC(C)C 1458a_100000755305_100000210312 [0,1,0,0,0,1|2,0,0]=4 8775 B12R0.189 CCN(C)CCC(=O)NCC(C)C 240690a_100000210953_100000755305 [0,1,0,0,0,1|2,0,0]=4 8776 B12R0.189 CCS(=O)CCC(=O)CCC(C)C 1458a_100011387550_100000210312 [0,1,0,0,0,1|2,0,0]=4 8777 B12R0.189 CCS(=O)CCC(=O)NCC(C)C 11a_100000210953_100011387550 [0,1,0,0,0,1|2,0,0]=4 8778 B12R0.189 CCS(=O)CCC(=O)NCC(C)C 1626a_100000210953_100011387550 [0,1,0,0,0,1|2,0,0]=4 8779 B12R0.189 CCS(=O)CCC(=O)NCC(C)C 240690a_100000210953_100011387550 [0,1,0,0,0,1|2,0,0]=4 8780 B12R0.189 CCS(=O)CCC(=O)NCC(C)C 527a_100000210953_100011387550 [0,1,0,0,0,1|2,0,0]=4 8781 B12R0.189 CC[C@H](C)COC(C)CCC(C)C 34a_100011215350_100009816398 [0,1,0,0,0,1|1,0,1]=4 8782 B12R0.189 CC[C@H](C)COC(C)CCC(C)C 7a_100011215350_100009816398 [0,1,0,0,0,1|1,0,1]=4 8783 B12R0.189 CO[C@H](C)CNC(=O)CCC(C)C 11a_100020591295_100000181311 [0,1,0,0,0,1|2,0,0]=4 8784 B12R0.189 CO[C@H](C)CNC(=O)CCC(C)C 1626a_100020591295_100000181311 [0,1,0,0,0,1|2,0,0]=4 8785 B12R0.189 CO[C@H](C)CNC(=O)CCC(C)C 240690a_100020591295_100000181311 [0,1,0,0,0,1|2,0,0]=4 8786 B12R0.189 CO[C@H](C)CNC(=O)CCC(C)C 527a_100020591295_100000181311 [0,1,0,0,0,1|2,0,0]=4 8787 B12R0.189 CO[C@H](C)CNC(=O)COC(C)C 11a_100020591295_100000745533 [0,1,0,0,0,1|2,0,0]=4 8788 B12R0.189 CO[C@H](C)CNC(=O)COC(C)C 1626a_100020591295_100000745533 [0,1,0,0,0,1|2,0,0]=4 8789 B12R0.189 CO[C@H](C)CNC(=O)COC(C)C 240690a_100020591295_100000745533 [0,1,0,0,0,1|2,0,0]=4 8790 B12R0.189 CO[C@H](C)CNC(=O)COC(C)C 527a_100020591295_100000745533 [0,1,0,0,0,1|2,0,0]=4 8791 B12R0.189 CO[C@H](C)CNC(=O)CSC(C)C 11a_100020591295_100000241585 [0,1,0,0,0,1|2,0,0]=4 8792 B12R0.189 CO[C@H](C)CNC(=O)CSC(C)C 1626a_100020591295_100000241585 [0,1,0,0,0,1|2,0,0]=4 8793 B12R0.189 CO[C@H](C)CNC(=O)CSC(C)C 240690a_100020591295_100000241585 [0,1,0,0,0,1|2,0,0]=4 8794 B12R0.189 CO[C@H](C)CNC(=O)CSC(C)C 527a_100020591295_100000241585 [0,1,0,0,0,1|2,0,0]=4 8795 B12R0.189 CO[C@H](C)CNC(=O)NCC(C)C 2708a_100000210953_100020591295 [0,1,0,0,0,1|2,0,0]=4 8796 B12R0.189 CO[C@H](C)CNC(=O)NCC(C)C 2708a_100020591295_100000210953 [0,1,0,0,0,1|2,0,0]=4 8797 B12R0.189 CO[C@H](C)CNC(=O)NCC(C)C 273464a_100000210953_100020591295 [0,1,0,0,0,1|2,0,0]=4 8798 B12R0.189 CO[C@H](C)CNC(=O)NCC(C)C 273464a_100020591295_100000210953 [0,1,0,0,0,1|2,0,0]=4 8799 B12R0.189 CO[C@H](C)CNC(=O)NCC(C)C 512a_100000210953_100020591295 [0,1,0,0,0,1|2,0,0]=4 8800 B12R0.189 CO[C@H](C)CNC(=O)NCC(C)C 512a_100020591295_100000210953 [0,1,0,0,0,1|2,0,0]=4 8801 B12R0.255 C#CCCCCC(=O)CCC(C)C 1458a_100000181311_100010269958 [0,1,0,0,0,1|1,0,1]=4 8802 B12R0.255 C#CCCCCC(=O)CCC(C)C 1458a_100000696528_100000210312 [0,1,0,0,0,1|1,0,1]=4 8803 B12R0.255 C#CCCCCC(=O)COC(C)C 1458a_100000745533_100010269958 [0,1,0,0,0,1|1,0,1]=4 8804 B12R0.255 C#CCCCCC(=O)CSC(C)C 1458a_100000241585_100010269958 [0,1,0,0,0,1|1,0,1]=4 8805 B12R0.255 C#CCCCCC(=O)NCC(C)C 11a_100000210953_100000696528 [0,1,0,0,0,1|1,0,1]=4 8806 B12R0.255 C#CCCCCC(=O)NCC(C)C 1626a_100000210953_100000696528 [0,1,0,0,0,1|1,0,1]=4 8807 B12R0.255 C#CCCCCC(=O)NCC(C)C 240690a_100000210953_100000696528 [0,1,0,0,0,1|1,0,1]=4 8808 B12R0.255 C#CCCCCC(=O)NCC(C)C 527a_100000210953_100000696528 [0,1,0,0,0,1|1,0,1]=4 8809 B12R0.255 C#CCCCNC(=O)CCC(C)C 11a_100000718082_100000181311 [0,1,0,0,0,1|1,0,1]=4 8810 B12R0.255 C#CCCCNC(=O)CCC(C)C 1626a_100000718082_100000181311 [0,1,0,0,0,1|1,0,1]=4 8811 B12R0.255 C#CCCCNC(=O)CCC(C)C 240690a_100000718082_100000181311 [0,1,0,0,0,1|1,0,1]=4 8812 B12R0.255 C#CCCCNC(=O)CCC(C)C 527a_100000718082_100000181311 [0,1,0,0,0,1|1,0,1]=4 8813 B12R0.255 C#CCCCNC(=O)COC(C)C 11a_100000718082_100000745533 [0,1,0,0,0,1|1,0,1]=4 8814 B12R0.255 C#CCCCNC(=O)COC(C)C 1626a_100000718082_100000745533 [0,1,0,0,0,1|1,0,1]=4 8815 B12R0.255 C#CCCCNC(=O)COC(C)C 240690a_100000718082_100000745533 [0,1,0,0,0,1|1,0,1]=4 8816 B12R0.255 C#CCCCNC(=O)COC(C)C 527a_100000718082_100000745533 [0,1,0,0,0,1|1,0,1]=4 8817 B12R0.255 C#CCCCNC(=O)CSC(C)C 11a_100000718082_100000241585 [0,1,0,0,0,1|1,0,1]=4 8818 B12R0.255 C#CCCCNC(=O)CSC(C)C 1626a_100000718082_100000241585 [0,1,0,0,0,1|1,0,1]=4 8819 B12R0.255 C#CCCCNC(=O)CSC(C)C 240690a_100000718082_100000241585 [0,1,0,0,0,1|1,0,1]=4 8820 B12R0.255 C#CCCCNC(=O)CSC(C)C 527a_100000718082_100000241585 [0,1,0,0,0,1|1,0,1]=4 8821 B12R0.255 C#CCCCNC(=O)NCC(C)C 2708a_100000210953_100000718082 [0,1,0,0,0,1|1,0,1]=4 8822 B12R0.255 C#CCCCNC(=O)NCC(C)C 2708a_100000718082_100000210953 [0,1,0,0,0,1|1,0,1]=4 8823 B12R0.255 C#CCCCNC(=O)NCC(C)C 273464a_100000210953_100000718082 [0,1,0,0,0,1|1,0,1]=4 8824 B12R0.255 C#CCCCNC(=O)NCC(C)C 273464a_100000718082_100000210953 [0,1,0,0,0,1|1,0,1]=4 8825 B12R0.255 C#CCCCNC(=O)NCC(C)C 512a_100000210953_100000718082 [0,1,0,0,0,1|1,0,1]=4 8826 B12R0.255 C#CCCCNC(=O)NCC(C)C 512a_100000718082_100000210953 [0,1,0,0,0,1|1,0,1]=4 8827 B12R0.255 C#CCCOCC(=O)NCC(C)C 34a_100011215631_100000183291 [0,1,0,0,0,1|0,0,2]=4 8828 B12R0.255 C/C=C/COCC(=O)NCC(C)C 34a_100016270725_100000183291 [0,1,0,0,0,1|0,0,2]=4 8829 B12R0.255 C=C(C)CCC(=O)COCCCC 1458a_100000757543_100000730704 [0,1,0,0,0,1|0,0,2]=4 8830 B12R0.255 C=C(C)CCC(=O)COCCCC 1458a_200000688413_100011995733 [0,1,0,0,0,1|0,0,2]=4 8831 B12R0.255 C=C(C)CNC(=O)COCCCC 11a_100000765925_100000757543 [0,1,0,0,0,1|0,0,2]=4 8832 B12R0.255 C=C(C)CNC(=O)COCCCC 1626a_100000765925_100000757543 [0,1,0,0,0,1|0,0,2]=4 8833 B12R0.255 C=C(C)CNC(=O)COCCCC 240690a_100000765925_100000757543 [0,1,0,0,0,1|0,0,2]=4 8834 B12R0.255 C=C(C)CNC(=O)COCCCC 527a_100000765925_100000757543 [0,1,0,0,0,1|0,0,2]=4 8835 B12R0.255 C=CCCCCC(=O)CCC(C)C 1458a_100000181311_100011215482 [0,1,0,0,0,1|1,0,1]=4 8836 B12R0.255 C=CCCCCC(=O)CCC(C)C 1458a_100011215552_100000210312 [0,1,0,0,0,1|1,0,1]=4 8837 B12R0.255 C=CCCCCC(=O)COC(C)C 1458a_100000745533_100011215482 [0,1,0,0,0,1|1,0,1]=4 8838 B12R0.255 C=CCCCCC(=O)CSC(C)C 1458a_100000241585_100011215482 [0,1,0,0,0,1|1,0,1]=4 8839 B12R0.255 C=CCCCCC(=O)NCC(C)C 11a_100000210953_100011215552 [0,1,0,0,0,1|1,0,1]=4 8840 B12R0.255 C=CCCCCC(=O)NCC(C)C 1626a_100000210953_100011215552 [0,1,0,0,0,1|1,0,1]=4 8841 B12R0.255 C=CCCCCC(=O)NCC(C)C 240690a_100000210953_100011215552 [0,1,0,0,0,1|1,0,1]=4 8842 B12R0.255 C=CCCCCC(=O)NCC(C)C 527a_100000210953_100011215552 [0,1,0,0,0,1|1,0,1]=4 8843 B12R0.255 C=CCCCNC(=O)CCC(C)C 11a_100000700776_100000181311 [0,1,0,0,0,1|1,0,1]=4 8844 B12R0.255 C=CCCCNC(=O)CCC(C)C 1626a_100000700776_100000181311 [0,1,0,0,0,1|1,0,1]=4 8845 B12R0.255 C=CCCCNC(=O)CCC(C)C 240690a_100000700776_100000181311 [0,1,0,0,0,1|1,0,1]=4 8846 B12R0.255 C=CCCCNC(=O)CCC(C)C 527a_100000700776_100000181311 [0,1,0,0,0,1|1,0,1]=4 8847 B12R0.255 C=CCCCNC(=O)COC(C)C 11a_100000700776_100000745533 [0,1,0,0,0,1|1,0,1]=4 8848 B12R0.255 C=CCCCNC(=O)COC(C)C 1626a_100000700776_100000745533 [0,1,0,0,0,1|1,0,1]=4 8849 B12R0.255 C=CCCCNC(=O)COC(C)C 240690a_100000700776_100000745533 [0,1,0,0,0,1|1,0,1]=4 8850 B12R0.255 C=CCCCNC(=O)COC(C)C 527a_100000700776_100000745533 [0,1,0,0,0,1|1,0,1]=4 8851 B12R0.255 C=CCCCNC(=O)CSC(C)C 11a_100000700776_100000241585 [0,1,0,0,0,1|1,0,1]=4 8852 B12R0.255 C=CCCCNC(=O)CSC(C)C 1626a_100000700776_100000241585 [0,1,0,0,0,1|1,0,1]=4 8853 B12R0.255 C=CCCCNC(=O)CSC(C)C 240690a_100000700776_100000241585 [0,1,0,0,0,1|1,0,1]=4 8854 B12R0.255 C=CCCCNC(=O)CSC(C)C 527a_100000700776_100000241585 [0,1,0,0,0,1|1,0,1]=4 8855 B12R0.255 C=CCCCNC(=O)NCC(C)C 2708a_100000210953_100000700776 [0,1,0,0,0,1|1,0,1]=4 8856 B12R0.255 C=CCCCNC(=O)NCC(C)C 2708a_100000700776_100000210953 [0,1,0,0,0,1|1,0,1]=4 8857 B12R0.255 C=CCCCNC(=O)NCC(C)C 273464a_100000210953_100000700776 [0,1,0,0,0,1|1,0,1]=4 8858 B12R0.255 C=CCCCNC(=O)NCC(C)C 273464a_100000700776_100000210953 [0,1,0,0,0,1|1,0,1]=4 8859 B12R0.255 C=CCCCNC(=O)NCC(C)C 512a_100000210953_100000700776 [0,1,0,0,0,1|1,0,1]=4 8860 B12R0.255 C=CCCCNC(=O)NCC(C)C 512a_100000700776_100000210953 [0,1,0,0,0,1|1,0,1]=4 8861 B12R0.255 C=CCCOCC(=O)NCC(C)C 34a_100011205117_100000183291 [0,1,0,0,0,1|0,0,2]=4 8862 B12R0.255 CC#CCOCC(=O)NCC(C)C 34a_100000761923_100000183291 [0,1,0,0,0,1|0,0,2]=4 8863 B12R0.255 CC(=CCC(=O)CCCCCF)C 1458a_100011220947_100000729378 [0,1,0,0,0,1|1,0,1]=4 8864 B12R0.255 CC(=CCC(=O)CCCCCO)C 1458a_100011220947_100000746330 [0,1,0,0,0,1|1,0,1]=4 8865 B12R0.255 CC(=CCC(=O)CCCCCO)C 1458a_100102619762_100000761012 [0,1,0,0,0,1|1,0,1]=4 8866 B12R0.255 CC(=CCC(=O)NCCCCO)C 240690a_100000750430_100011220947 [0,1,0,0,0,1|1,0,1]=4 8867 B12R0.255 CC(=CCC(=O)NCCCCO)C 527a_100000750430_100011220947 [0,1,0,0,0,1|1,0,1]=4 8868 B12R0.255 CC(=O)CCC(=O)OCCCCO 1458a_200009914559_200000210301 [0,1,0,0,0,1|1,0,1]=4 8869 B12R0.255 CC(C)C=CC(=O)CCCCCF 1458a_100016268746_100000729378 [0,1,0,0,0,1|1,0,1]=4 8870 B12R0.255 CC(C)C=CC(=O)CCCCCO 1458a_100016268746_100000746330 [0,1,0,0,0,1|1,0,1]=4 8871 B12R0.255 CC(C)C=CC(=O)NCCCCO 240690a_100000750430_100016268746 [0,1,0,0,0,1|1,0,1]=4 8872 B12R0.255 CC(C)CCC(=O)CCCCC#N 1458a_100000181311_100000211819 [0,1,0,0,0,1|1,0,1]=4 8873 B12R0.255 CC(C)CCC(=O)CCCCCF 1458a_100000181311_100000729378 [0,1,0,0,0,1|1,0,0]=3 8874 B12R0.255 CC(C)CCC(=O)CCCCCO 1458a_100000181311_100000746330 [0,1,0,0,0,1|1,0,0]=3 8875 B12R0.255 CC(C)CCC(=O)CCCCCO 1458a_100102619762_100000210312 [0,1,0,0,0,1|1,0,0]=3 8876 B12R0.255 CC(C)CCC(=O)CCOCCO 1458a_100000181311_100011215305 [0,1,0,0,0,1|2,0,0]=4 8877 B12R0.255 CC(C)CCC(=O)CCOCCO 1458a_100011229844_100000210312 [0,1,0,0,0,1|2,0,0]=4 8878 B12R0.255 CC(C)CCC(=O)NCCCCO 240690a_100000750430_100000181311 [0,1,0,0,0,1|1,0,0]=3 8879 B12R0.255 CC(C)CCC(=O)NCCCCO 527a_100000750430_100000181311 [0,1,0,0,0,1|1,0,0]=3 8880 B12R0.255 CC(C)CCC(C)OCCCCBr 34a_100011216708_100011261404 [0,1,0,0,0,1|1,0,1]=4 8881 B12R0.255 CC(C)CCC(C)OCCCCCl 34a_100000210776_100011261404 [0,1,0,0,0,1|1,0,1]=4 8882 B12R0.255 CC(C)CCC(C)OCCCCF 34a_100011215350_100000729493 [0,1,0,0,0,1|1,0,1]=4 8883 B12R0.255 CC(C)CCC(C)OCCCCF 34a_100011995726_100011261404 [0,1,0,0,0,1|1,0,1]=4 8884 B12R0.255 CC(C)CCC(C)OCCCCF 7a_100011215350_100000729493 [0,1,0,0,0,1|1,0,1]=4 8885 B12R0.255 CC(C)CCC(C)OCCCCI 34a_200012148704_100011261404 [0,1,0,0,0,1|1,0,1]=4 8886 B12R0.255 CC(C)CCC(C)OCCCCN 34a_100000750430_100011261404 [0,1,0,0,0,1|1,0,1]=4 8887 B12R0.255 CC(C)CCC(C)OCCCCO 34a_100011215350_100011216708 [0,1,0,0,0,1|1,0,1]=4 8888 B12R0.255 CC(C)CCC(C)OCCCCO 7a_100011215350_100000210776 [0,1,0,0,0,1|1,0,1]=4 8889 B12R0.255 CC(C)CNC(=O)CCCCCO 240690a_100000210953_100102619762 [0,1,0,0,0,1|1,0,0]=3 8890 B12R0.255 CC(C)CNC(=O)CCCSCF 62a_100011194448_100015361967 [0,1,0,0,0,1|2,0,0]=4 8891 B12R0.255 CC(C)CNC(=O)CCCSCF 62a_100015361967_100011194448 [0,1,0,0,0,1|2,0,0]=4 8892 B12R0.255 CC(C)CNC(=O)CCOCCO 1626a_100000210953_100011229844 [0,1,0,0,0,1|2,0,0]=4 8893 B12R0.255 CC(C)CNC(=O)CCOCCO 240690a_100000210953_100011229844 [0,1,0,0,0,1|2,0,0]=4 8894 B12R0.255 CC(C)CNC(=O)CNCCCF 2230a_100015189416_100000183291 [0,1,0,0,0,1|2,0,0]=4 8895 B12R0.255 CC(C)CNC(=O)CNCCCF 34a_100015189416_100000183291 [0,1,0,0,0,1|2,0,0]=4 8896 B12R0.255 CC(C)CNC(=O)COCCCBr 34a_100011217188_100000183291 [0,1,0,0,0,1|1,0,0]=3 8897 B12R0.255 CC(C)CNC(=O)COCCCCl 34a_100000230001_100000183291 [0,1,0,0,0,1|1,0,0]=3 8898 B12R0.255 CC(C)CNC(=O)COCCCF 34a_100000759539_100000183291 [0,1,0,0,0,1|1,0,0]=3 8899 B12R0.255 CC(C)CNC(=O)COCCCN 34a_100000182051_100000183291 [0,1,0,0,0,1|1,0,0]=3 8900 B12R0.255 CC(C)CNC(=O)COCCON 34a_100000700252_100000183291 [0,1,0,0,0,1|2,0,0]=4 8901 B12R0.255 CC(C)CNC(=O)CSCCCF 62a_100000183291_100011934791 [0,1,0,0,0,1|1,1,0]=4 8902 B12R0.255 CC(C)CNC(=O)CSCCCF 62a_100011934791_100000183291 [0,1,0,0,0,1|1,1,0]=4 8903 B12R0.255 CC(C)CNC(=O)CSCCCO 62a_100000183291_100011215043 [0,1,0,0,0,1|1,1,0]=4 8904 B12R0.255 CC(C)CNC(=O)CSCCCO 62a_100011215043_100000183291 [0,1,0,0,0,1|1,1,0]=4 8905 B12R0.255 CC(C)CNC(=O)NCCCCO 2708a_100000210953_100000750430 [0,1,0,0,0,1|1,0,0]=3 8906 B12R0.255 CC(C)CNC(=O)NCCCCO 2708a_100000750430_100000210953 [0,1,0,0,0,1|1,0,0]=3 8907 B12R0.255 CC(C)CNC(=O)NCCCCO 273464a_100000210953_100000750430 [0,1,0,0,0,1|1,0,0]=3 8908 B12R0.255 CC(C)CNC(=O)NCCCCO 273464a_100000750430_100000210953 [0,1,0,0,0,1|1,0,0]=3 8909 B12R0.255 CC(C)CNC(=O)NCCCCO 512a_100000210953_100000750430 [0,1,0,0,0,1|1,0,0]=3 8910 B12R0.255 CC(C)CNC(=O)NCCCCO 512a_100000750430_100000210953 [0,1,0,0,0,1|1,0,0]=3 8911 B12R0.255 CC(C)NNC(=O)CCCCCO 22a_100000741168_100102619762 [0,1,0,0,0,1|2,0,0]=4 8912 B12R0.255 CC(C)NNC(=O)NCCCCO 273464a_100000750430_100000741168 [0,1,0,0,0,1|2,0,0]=4 8913 B12R0.255 CC(C)NNC(=O)NCCCCO 512a_100000741168_100000750430 [0,1,0,0,0,1|2,0,0]=4 8914 B12R0.255 CC(C)NNC(=O)NCCCCO 512a_100000750430_100000741168 [0,1,0,0,0,1|2,0,0]=4 8915 B12R0.255 CC(C)OCC(=O)CCCCC#N 1458a_100000745533_100000211819 [0,1,0,0,0,1|1,0,1]=4 8916 B12R0.255 CC(C)OCC(=O)CCCCCF 1458a_100000745533_100000729378 [0,1,0,0,0,1|1,0,0]=3 8917 B12R0.255 CC(C)OCC(=O)CCCCCO 1458a_100000745533_100000746330 [0,1,0,0,0,1|1,0,0]=3 8918 B12R0.255 CC(C)OCC(=O)CCOCCO 1458a_100000745533_100011215305 [0,1,0,0,0,1|2,0,0]=4 8919 B12R0.255 CC(C)OCC(=O)NCCCCO 240690a_100000750430_100000745533 [0,1,0,0,0,1|1,0,0]=3 8920 B12R0.255 CC(C)OCC(=O)NCCCCO 527a_100000750430_100000745533 [0,1,0,0,0,1|1,0,0]=3 8921 B12R0.255 CC(C)SCC(=O)CCCCC#N 1458a_100000241585_100000211819 [0,1,0,0,0,1|1,0,1]=4 8922 B12R0.255 CC(C)SCC(=O)CCCCCF 1458a_100000241585_100000729378 [0,1,0,0,0,1|1,0,0]=3 8923 B12R0.255 CC(C)SCC(=O)CCCCCO 1458a_100000241585_100000746330 [0,1,0,0,0,1|1,0,0]=3 8924 B12R0.255 CC(C)SCC(=O)CCOCCO 1458a_100000241585_100011215305 [0,1,0,0,0,1|2,0,0]=4 8925 B12R0.255 CC(C)SCC(=O)NCCCCO 240690a_100000750430_100000241585 [0,1,0,0,0,1|1,0,0]=3 8926 B12R0.255 CC(C)SCC(=O)NCCCCO 527a_100000750430_100000241585 [0,1,0,0,0,1|1,0,0]=3 8927 B12R0.255 CC(O)CCC(=O)CCCCCO 1458a_100102619762_100012276601 [0,1,0,0,0,1|2,0,0]=4 8928 B12R0.255 CC(O)CNC(=O)CCCCCO 240690a_100000210904_100102619762 [0,1,0,0,0,1|2,0,0]=4 8929 B12R0.255 CC(O)CNC(=O)NCCCCO 2708a_100000750430_100000210904 [0,1,0,0,0,1|2,0,0]=4 8930 B12R0.255 CC(O)CNC(=O)NCCCCO 273464a_100000210904_100000750430 [0,1,0,0,0,1|2,0,0]=4 8931 B12R0.255 CC(O)CNC(=O)NCCCCO 273464a_100000750430_100000210904 [0,1,0,0,0,1|2,0,0]=4 8932 B12R0.255 CC(O)CNC(=O)NCCCCO 512a_100000210904_100000750430 [0,1,0,0,0,1|2,0,0]=4 8933 B12R0.255 CC(O)CNC(=O)NCCCCO 512a_100000750430_100000210904 [0,1,0,0,0,1|2,0,0]=4 8934 B12R0.255 CC/C=C\CCC(=O)CCC(C)C 1458a_100000181311_100015370543 [0,1,0,0,0,1|1,0,1]=4 8935 B12R0.255 CC/C=C\CCC(=O)COC(C)C 1458a_100000745533_100015370543 [0,1,0,0,0,1|1,0,1]=4 8936 B12R0.255 CC/C=C\CCC(=O)CSC(C)C 1458a_100000241585_100015370543 [0,1,0,0,0,1|1,0,1]=4 8937 B12R0.255 CCC/C=C/CC(=O)CCC(C)C 1458a_200016266809_100000210312 [0,1,0,0,0,1|1,0,1]=4 8938 B12R0.255 CCC/C=C/CC(=O)NCC(C)C 11a_100000210953_200016266809 [0,1,0,0,0,1|1,0,1]=4 8939 B12R0.255 CCC/C=C/CC(=O)NCC(C)C 1626a_100000210953_200016266809 [0,1,0,0,0,1|1,0,1]=4 8940 B12R0.255 CCC/C=C/CC(=O)NCC(C)C 240690a_100000210953_200016266809 [0,1,0,0,0,1|1,0,1]=4 8941 B12R0.255 CCC/C=C/CC(=O)NCC(C)C 527a_100000210953_200016266809 [0,1,0,0,0,1|1,0,1]=4 8942 B12R0.255 CCCCC=CC(=O)CC=C(C)C 1458a_100016266645_100000761012 [0,1,0,0,0,1|1,0,1]=4 8943 B12R0.255 CCCCC=CC(=O)CCC(C)C 1458a_100016266645_100000210312 [0,1,0,0,0,1|1,0,0]=3 8944 B12R0.255 CCCCC=CC(=O)CCC(C)O 1458a_100016266645_100012276601 [0,1,0,0,0,1|2,0,0]=4 8945 B12R0.255 CCCCC=CC(=O)NCC(C)C 11a_100000210953_100016266645 [0,1,0,0,0,1|1,0,0]=3 8946 B12R0.255 CCCCC=CC(=O)NCC(C)C 1626a_100000210953_100016266645 [0,1,0,0,0,1|1,0,0]=3 8947 B12R0.255 CCCCC=CC(=O)NCC(C)C 240690a_100000210953_100016266645 [0,1,0,0,0,1|1,0,0]=3 8948 B12R0.255 CCCCC=CC(=O)NCC(C)O 11a_100000210904_100016266645 [0,1,0,0,0,1|2,0,0]=4 8949 B12R0.255 CCCCC=CC(=O)NCC(C)O 240690a_100000210904_100016266645 [0,1,0,0,0,1|2,0,0]=4 8950 B12R0.255 CCCCC=CC(=O)NNC(C)C 22a_100000741168_100016266645 [0,1,0,0,0,1|2,0,0]=4 8951 B12R0.255 CCCCCCC(=O)C=CC(C)C 1458a_100016268746_100000210757 [0,1,0,0,0,1|1,0,1]=4 8952 B12R0.255 CCCCCCC(=O)CC=C(C)C 1458a_100011220947_100000210757 [0,1,0,0,0,1|1,0,1]=4 8953 B12R0.255 CCCCCCC(=O)CC=C(C)C 1458a_100102632555_100000761012 [0,1,0,0,0,1|1,0,1]=4 8954 B12R0.255 CCCCCCC(=O)CCC(C)C 1458a_100000181311_100000210757 [0,1,0,0,0,1|1,0,0]=3 8955 B12R0.255 CCCCCCC(=O)CCC(C)C 1458a_100102632555_100000210312 [0,1,0,0,0,1|1,0,0]=3 8956 B12R0.255 CCCCCCC(=O)CCC(C)O 1458a_100102632555_100012276601 [0,1,0,0,0,1|2,0,0]=4 8957 B12R0.255 CCCCCCC(=O)CC[S+](C)C 1458a_100009452791_100000210757 [0,1,0,0,0,1|2,0,0]=4 8958 B12R0.255 CCCCCCC(=O)COC(C)C 1458a_100000745533_100000210757 [0,1,0,0,0,1|1,0,0]=3 8959 B12R0.255 CCCCCCC(=O)CSC(C)C 1458a_100000241585_100000210757 [0,1,0,0,0,1|1,0,0]=3 8960 B12R0.255 CCCCCCC(=O)NCC(C)C 11a_100000210953_100102632555 [0,1,0,0,0,1|1,0,0]=3 8961 B12R0.255 CCCCCCC(=O)NCC(C)C 1626a_100000210953_100102632555 [0,1,0,0,0,1|1,0,0]=3 8962 B12R0.255 CCCCCCC(=O)NCC(C)C 240690a_100000210953_100102632555 [0,1,0,0,0,1|1,0,0]=3 8963 B12R0.255 CCCCCCC(=O)NCC(C)C 527a_100000210953_100102632555 [0,1,0,0,0,1|1,0,0]=3 8964 B12R0.255 CCCCCCC(=O)NCC(C)O 11a_100000210904_100102632555 [0,1,0,0,0,1|2,0,0]=4 8965 B12R0.255 CCCCCCC(=O)NCC(C)O 240690a_100000210904_100102632555 [0,1,0,0,0,1|2,0,0]=4 8966 B12R0.255 CCCCCCC(=O)NCC(C)O 527a_100000210904_100102632555 [0,1,0,0,0,1|2,0,0]=4 8967 B12R0.255 CCCCCCC(=O)NNC(C)C 22a_100000741168_100102632555 [0,1,0,0,0,1|2,0,0]=4 8968 B12R0.255 CCCCCNC(=O)C=CC(C)C 11a_100000209983_100016268746 [0,1,0,0,0,1|1,0,1]=4 8969 B12R0.255 CCCCCNC(=O)C=CC(C)C 1626a_100000209983_100016268746 [0,1,0,0,0,1|1,0,1]=4 8970 B12R0.255 CCCCCNC(=O)C=CC(C)C 240690a_100000209983_100016268746 [0,1,0,0,0,1|1,0,1]=4 8971 B12R0.255 CCCCCNC(=O)CC=C(C)C 11a_100000209983_100011220947 [0,1,0,0,0,1|1,0,1]=4 8972 B12R0.255 CCCCCNC(=O)CC=C(C)C 1626a_100000209983_100011220947 [0,1,0,0,0,1|1,0,1]=4 8973 B12R0.255 CCCCCNC(=O)CC=C(C)C 240690a_100000209983_100011220947 [0,1,0,0,0,1|1,0,1]=4 8974 B12R0.255 CCCCCNC(=O)CC=C(C)C 527a_100000209983_100011220947 [0,1,0,0,0,1|1,0,1]=4 8975 B12R0.255 CCCCCNC(=O)CCC(C)C 11a_100000209983_100000181311 [0,1,0,0,0,1|1,0,0]=3 8976 B12R0.255 CCCCCNC(=O)CCC(C)C 1626a_100000209983_100000181311 [0,1,0,0,0,1|1,0,0]=3 8977 B12R0.255 CCCCCNC(=O)CCC(C)C 240690a_100000209983_100000181311 [0,1,0,0,0,1|1,0,0]=3 8978 B12R0.255 CCCCCNC(=O)CCC(C)C 527a_100000209983_100000181311 [0,1,0,0,0,1|1,0,0]=3 8979 B12R0.255 CCCCCNC(=O)CCC(C)O 1626a_100000209983_100000718519 [0,1,0,0,0,1|2,0,0]=4 8980 B12R0.255 CCCCCNC(=O)CCN(C)C 11a_100000209983_100000689311 [0,1,0,0,0,1|2,0,0]=4 8981 B12R0.255 CCCCCNC(=O)CCN(C)C 240690a_100000209983_100000689311 [0,1,0,0,0,1|2,0,0]=4 8982 B12R0.255 CCCCCNC(=O)CCN(C)C 527a_100000209983_100000689311 [0,1,0,0,0,1|2,0,0]=4 8983 B12R0.255 CCCCCNC(=O)CC[S+](C)C 11a_100000209983_100009452791 [0,1,0,0,0,1|2,0,0]=4 8984 B12R0.255 CCCCCNC(=O)CC[S+](C)C 1626a_100000209983_100009452791 [0,1,0,0,0,1|2,0,0]=4 8985 B12R0.255 CCCCCNC(=O)CC[S+](C)C 240690a_100000209983_100009452791 [0,1,0,0,0,1|2,0,0]=4 8986 B12R0.255 CCCCCNC(=O)CNC(C)C 2230a_100138425928_100000230301 [0,1,0,0,0,1|1,0,0]=3 8987 B12R0.255 CCCCCNC(=O)CNC(C)C 34a_100138425928_100000230301 [0,1,0,0,0,1|1,0,0]=3 8988 B12R0.255 CCCCCNC(=O)COC(C)C 11a_100000209983_100000745533 [0,1,0,0,0,1|1,0,0]=3 8989 B12R0.255 CCCCCNC(=O)COC(C)C 1626a_100000209983_100000745533 [0,1,0,0,0,1|1,0,0]=3 8990 B12R0.255 CCCCCNC(=O)COC(C)C 240690a_100000209983_100000745533 [0,1,0,0,0,1|1,0,0]=3 8991 B12R0.255 CCCCCNC(=O)COC(C)C 34a_100000212225_100000230301 [0,1,0,0,0,1|1,0,0]=3 8992 B12R0.255 CCCCCNC(=O)COC(C)C 527a_100000209983_100000745533 [0,1,0,0,0,1|1,0,0]=3 8993 B12R0.255 CCCCCNC(=O)CSC(C)C 11a_100000209983_100000241585 [0,1,0,0,0,1|1,0,0]=3 8994 B12R0.255 CCCCCNC(=O)CSC(C)C 1626a_100000209983_100000241585 [0,1,0,0,0,1|1,0,0]=3 8995 B12R0.255 CCCCCNC(=O)CSC(C)C 240690a_100000209983_100000241585 [0,1,0,0,0,1|1,0,0]=3 8996 B12R0.255 CCCCCNC(=O)CSC(C)C 527a_100000209983_100000241585 [0,1,0,0,0,1|1,0,0]=3 8997 B12R0.255 CCCCCNC(=O)CSC(C)C 62a_100000210206_100000230301 [0,1,0,0,0,1|1,0,0]=3 8998 B12R0.255 CCCCCNC(=O)CSC(C)C 62a_100000230301_100000210206 [0,1,0,0,0,1|1,0,0]=3 8999 B12R0.255 CCCCCNC(=O)NCC(C)C 2708a_100000209983_100000210953 [0,1,0,0,0,1|1,0,0]=3 9000 B12R0.255 CCCCCNC(=O)NCC(C)C 2708a_100000210953_100000209983 [0,1,0,0,0,1|1,0,0]=3 9001 B12R0.255 CCCCCNC(=O)NCC(C)C 273464a_100000209983_100000210953 [0,1,0,0,0,1|1,0,0]=3 9002 B12R0.255 CCCCCNC(=O)NCC(C)C 273464a_100000210953_100000209983 [0,1,0,0,0,1|1,0,0]=3 9003 B12R0.255 CCCCCNC(=O)NCC(C)C 512a_100000209983_100000210953 [0,1,0,0,0,1|1,0,0]=3 9004 B12R0.255 CCCCCNC(=O)NCC(C)C 512a_100000210953_100000209983 [0,1,0,0,0,1|1,0,0]=3 9005 B12R0.255 CCCCCNC(=O)NCC(C)O 2708a_100000209983_100000210904 [0,1,0,0,0,1|2,0,0]=4 9006 B12R0.255 CCCCCNC(=O)NCC(C)O 273464a_100000209983_100000210904 [0,1,0,0,0,1|2,0,0]=4 9007 B12R0.255 CCCCCNC(=O)NCC(C)O 273464a_100000210904_100000209983 [0,1,0,0,0,1|2,0,0]=4 9008 B12R0.255 CCCCCNC(=O)NCC(C)O 512a_100000209983_100000210904 [0,1,0,0,0,1|2,0,0]=4 9009 B12R0.255 CCCCCNC(=O)NCC(C)O 512a_100000210904_100000209983 [0,1,0,0,0,1|2,0,0]=4 9010 B12R0.255 CCCCCNC(=O)NNC(C)C 273464a_100000209983_100000741168 [0,1,0,0,0,1|2,0,0]=4 9011 B12R0.255 CCCCCNC(=O)NNC(C)C 512a_100000209983_100000741168 [0,1,0,0,0,1|2,0,0]=4 9012 B12R0.255 CCCCCNC(=O)NNC(C)C 512a_100000741168_100000209983 [0,1,0,0,0,1|2,0,0]=4 9013 B12R0.255 CCCCCOC(C)CCC(C)C 34a_100000210253_100011261404 [0,1,0,0,0,1|1,0,1]=4 9014 B12R0.255 CCCCCOC(C)CCC(C)C 34a_100011215350_100000718602 [0,1,0,0,0,1|1,0,1]=4 9015 B12R0.255 CCCCCOC(C)CCC(C)C 7a_100011215350_100000210326 [0,1,0,0,0,1|1,0,1]=4 9016 B12R0.255 CCCCNCC(=O)NCC(C)C 2230a_100000102301_100000183291 [0,1,0,0,0,1|1,0,0]=3 9017 B12R0.255 CCCCNCC(=O)NCC(C)C 7a_106832991798_100000183291 [0,1,0,0,0,1|1,0,0]=3 9018 B12R0.255 CCCCNN=C(C)CCC(C)C 4a_100025702795_100000210476 [0,1,0,0,0,1|2,0,0]=4 9019 B12R0.255 CCCCNNC(=O)C=CC(C)C 22a_100025702795_100016268746 [0,1,0,0,0,1|1,0,1]=4 9020 B12R0.255 CCCCNNC(=O)CC=C(C)C 22a_100025702795_100011220947 [0,1,0,0,0,1|1,0,1]=4 9021 B12R0.255 CCCCNNC(=O)CCC(C)C 22a_100025702795_100000181311 [0,1,0,0,0,1|1,0,0]=3 9022 B12R0.255 CCCCNNC(=O)CCN(C)C 22a_100025702795_100000689311 [0,1,0,0,0,1|2,0,0]=4 9023 B12R0.255 CCCCNNC(=O)CC[S+](C)C 22a_100025702795_100009452791 [0,1,0,0,0,1|2,0,0]=4 9024 B12R0.255 CCCCNNC(=O)COC(C)C 22a_100025702795_100000745533 [0,1,0,0,0,1|1,0,0]=3 9025 B12R0.255 CCCCNNC(=O)CSC(C)C 22a_100025702795_100000241585 [0,1,0,0,0,1|1,0,0]=3 9026 B12R0.255 CCCCNNC(=O)NCC(C)C 273464a_100000210953_100025702795 [0,1,0,0,0,1|1,0,0]=3 9027 B12R0.255 CCCCNNC(=O)NCC(C)C 512a_100000210953_100025702795 [0,1,0,0,0,1|1,0,0]=3 9028 B12R0.255 CCCCNNC(=O)NCC(C)C 512a_100025702795_100000210953 [0,1,0,0,0,1|1,0,0]=3 9029 B12R0.255 CCCCNNC(=O)NCC(C)O 273464a_100000210904_100025702795 [0,1,0,0,0,1|2,0,0]=4 9030 B12R0.255 CCCCNNC(=O)NCC(C)O 512a_100000210904_100025702795 [0,1,0,0,0,1|2,0,0]=4 9031 B12R0.255 CCCCNNC(=O)NCC(C)O 512a_100025702795_100000210904 [0,1,0,0,0,1|2,0,0]=4 9032 B12R0.255 CCCCNNC(=O)NNC(C)C 512a_100000741168_100025702795 [0,1,0,0,0,1|2,0,0]=4 9033 B12R0.255 CCCCNNC(=O)NNC(C)C 512a_100025702795_100000741168 [0,1,0,0,0,1|2,0,0]=4 9034 B12R0.255 CCCCOCC(=O)C=CC(C)C 1458a_100016268746_100011995733 [0,1,0,0,0,1|0,0,1]=3 9035 B12R0.255 CCCCOCC(=O)CC=C(C)C 1458a_100000757543_100000761012 [0,1,0,0,0,1|0,0,1]=3 9036 B12R0.255 CCCCOCC(=O)CC=C(C)C 1458a_100011220947_100011995733 [0,1,0,0,0,1|0,0,1]=3 9037 B12R0.255 CCCCOCC(=O)CCC(C)C 1458a_100000181311_100011995733 [0,1,0,0,0,1|0,0,0]=2 9038 B12R0.255 CCCCOCC(=O)CCC(C)C 1458a_100000757543_100000210312 [0,1,0,0,0,1|0,0,0]=2 9039 B12R0.255 CCCCOCC(=O)CCC(C)O 1458a_100000757543_100012276601 [0,1,0,0,0,1|1,0,0]=3 9040 B12R0.255 CCCCOCC(=O)CC[S+](C)C 1458a_100009452791_100011995733 [0,1,0,0,0,1|1,0,0]=3 9041 B12R0.255 CCCCOCC(=O)CNC(=O)C 1458a_100000194580_100011995733 [0,1,0,0,0,1|1,0,1]=4 9042 B12R0.255 CCCCOCC(=O)COC(=O)C 1458a_100000183556_100011995733 [0,1,0,0,0,1|1,0,1]=4 9043 B12R0.255 CCCCOCC(=O)COC(=O)C 34a_100000210227_100000036994 [0,1,0,0,0,1|1,0,1]=4 9044 B12R0.255 CCCCOCC(=O)COC(C)C 1458a_100000745533_100011995733 [0,1,0,0,0,1|0,0,0]=2 9045 B12R0.255 CCCCOCC(=O)COC(F)F 1458a_200000719455_100011995733 [0,1,0,0,0,1|2,0,0]=4 9046 B12R0.255 CCCCOCC(=O)CSC(=O)C 1458a_100000049016_100011995733 [0,1,0,0,0,1|1,0,1]=4 9047 B12R0.255 CCCCOCC(=O)CSC(C)C 1458a_100000241585_100011995733 [0,1,0,0,0,1|0,0,0]=2 9048 B12R0.255 CCCCOCC(=O)CSC(F)F 1458a_114828291038_100011995733 [0,1,0,0,0,1|2,0,0]=4 9049 B12R0.255 CCCCOCC(=O)NCC(C)C 11a_100000210953_100000757543 [0,1,0,0,0,1|0,0,0]=2 9050 B12R0.255 CCCCOCC(=O)NCC(C)C 1626a_100000210953_100000757543 [0,1,0,0,0,1|0,0,0]=2 9051 B12R0.255 CCCCOCC(=O)NCC(C)C 240690a_100000210953_100000757543 [0,1,0,0,0,1|0,0,0]=2 9052 B12R0.255 CCCCOCC(=O)NCC(C)C 34a_100000210227_100000183291 [0,1,0,0,0,1|0,0,0]=2 9053 B12R0.255 CCCCOCC(=O)NCC(C)C 527a_100000210953_100000757543 [0,1,0,0,0,1|0,0,0]=2 9054 B12R0.255 CCCCOCC(=O)NCC(C)C 7a_100000210227_100000183291 [0,1,0,0,0,1|0,0,0]=2 9055 B12R0.255 CCCCOCC(=O)NCC(C)O 11a_100000210904_100000757543 [0,1,0,0,0,1|1,0,0]=3 9056 B12R0.255 CCCCOCC(=O)NCC(C)O 240690a_100000210904_100000757543 [0,1,0,0,0,1|1,0,0]=3 9057 B12R0.255 CCCCOCC(=O)NCC(C)O 527a_100000210904_100000757543 [0,1,0,0,0,1|1,0,0]=3 9058 B12R0.255 CCCCOCC(=O)NCC(F)F 11a_100000765723_100000757543 [0,1,0,0,0,1|2,0,0]=4 9059 B12R0.255 CCCCOCC(=O)NCC(F)F 1626a_100000765723_100000757543 [0,1,0,0,0,1|2,0,0]=4 9060 B12R0.255 CCCCOCC(=O)NCC(F)F 240690a_100000765723_100000757543 [0,1,0,0,0,1|2,0,0]=4 9061 B12R0.255 CCCCOCC(=O)NCC(F)F 527a_100000765723_100000757543 [0,1,0,0,0,1|2,0,0]=4 9062 B12R0.255 CCCCOCC(=O)NNC(C)C 22a_100000741168_100000757543 [0,1,0,0,0,1|1,0,0]=3 9063 B12R0.255 CCCCOCC(C)OCC(C)C 34a_100011217071_100000210624 [0,1,0,0,0,1|1,0,1]=4 9064 B12R0.255 CCCCOCC(C)OCC(C)C 7a_100011217071_100000210760 [0,1,0,0,0,1|1,0,1]=4 9065 B12R0.255 CCCCOCN(C)CCC(C)C 2230a_100000742789_100011995733 [0,1,0,0,0,1|2,0,0]=4 9066 B12R0.255 CCCCOCN(C)CCC(C)C 269982a_100000742789_100011995733 [0,1,0,0,0,1|2,0,0]=4 9067 B12R0.255 CCCCSCC(=O)CC=C(C)C 1458a_100000191162_100000761012 [0,1,0,0,0,1|0,1,1]=4 9068 B12R0.255 CCCCSCC(=O)CCC(C)C 1458a_100000191162_100000210312 [0,1,0,0,0,1|0,1,0]=3 9069 B12R0.255 CCCCSCC(=O)CCC(C)O 1458a_100000191162_100012276601 [0,1,0,0,0,1|1,1,0]=4 9070 B12R0.255 CCCCSCC(=O)NCC(C)C 11a_100000210953_100000191162 [0,1,0,0,0,1|0,1,0]=3 9071 B12R0.255 CCCCSCC(=O)NCC(C)C 1626a_100000210953_100000191162 [0,1,0,0,0,1|0,1,0]=3 9072 B12R0.255 CCCCSCC(=O)NCC(C)C 240690a_100000210953_100000191162 [0,1,0,0,0,1|0,1,0]=3 9073 B12R0.255 CCCCSCC(=O)NCC(C)C 527a_100000210953_100000191162 [0,1,0,0,0,1|0,1,0]=3 9074 B12R0.255 CCCCSCC(=O)NCC(C)C 62a_100000183291_100000210210 [0,1,0,0,0,1|0,1,0]=3 9075 B12R0.255 CCCCSCC(=O)NCC(C)C 62a_100000210211_100000183291 [0,1,0,0,0,1|0,1,0]=3 9076 B12R0.255 CCCCSCC(=O)NCC(C)O 11a_100000210904_100000191162 [0,1,0,0,0,1|1,1,0]=4 9077 B12R0.255 CCCCSCC(=O)NCC(C)O 240690a_100000210904_100000191162 [0,1,0,0,0,1|1,1,0]=4 9078 B12R0.255 CCCCSCC(=O)NCC(C)O 527a_100000210904_100000191162 [0,1,0,0,0,1|1,1,0]=4 9079 B12R0.255 CCCCSCC(=O)NNC(C)C 22a_100000741168_100000191162 [0,1,0,0,0,1|1,1,0]=4 9080 B12R0.255 CCCOCCC(=O)C=CC(C)C 1458a_100016268746_100011215938 [0,1,0,0,0,1|1,0,1]=4 9081 B12R0.255 CCCOCCC(=O)CC=C(C)C 1458a_100011220947_100011215938 [0,1,0,0,0,1|1,0,1]=4 9082 B12R0.255 CCCOCCC(=O)CCC(C)C 1458a_100000181311_100011215938 [0,1,0,0,0,1|1,0,0]=3 9083 B12R0.255 CCCOCCC(=O)CC[S+](C)C 1458a_100009452791_100011215938 [0,1,0,0,0,1|2,0,0]=4 9084 B12R0.255 CCCOCCC(=O)COC(C)C 1458a_100000745533_100011215938 [0,1,0,0,0,1|1,0,0]=3 9085 B12R0.255 CCCOCCC(=O)CSC(C)C 1458a_100000241585_100011215938 [0,1,0,0,0,1|1,0,0]=3 9086 B12R0.255 CCNCCCC(=O)NCC(C)C 2230a_100015525214_100011194448 [0,1,0,0,0,1|1,0,0]=3 9087 B12R0.255 CCOCCCC(=O)C=CC(C)C 1458a_100016268746_100012232248 [0,1,0,0,0,1|1,0,1]=4 9088 B12R0.255 CCOCCCC(=O)CC=C(C)C 1458a_100011220947_100012232248 [0,1,0,0,0,1|1,0,1]=4 9089 B12R0.255 CCOCCCC(=O)CCC(C)C 1458a_100000181311_100012232248 [0,1,0,0,0,1|1,0,0]=3 9090 B12R0.255 CCOCCCC(=O)CC[S+](C)C 1458a_100009452791_100012232248 [0,1,0,0,0,1|2,0,0]=4 9091 B12R0.255 CCOCCCC(=O)COC(C)C 1458a_100000745533_100012232248 [0,1,0,0,0,1|1,0,0]=3 9092 B12R0.255 CCOCCCC(=O)CSC(C)C 1458a_100000241585_100012232248 [0,1,0,0,0,1|1,0,0]=3 9093 B12R0.255 CCOCCCC(=O)NCC(C)C 34a_100121572206_100011194448 [0,1,0,0,0,1|1,0,0]=3 9094 B12R0.255 CCOCCNC(=O)C=CC(C)C 11a_100011200944_100016268746 [0,1,0,0,0,1|1,0,1]=4 9095 B12R0.255 CCOCCNC(=O)C=CC(C)C 1626a_102516460346_100016268746 [0,1,0,0,0,1|1,0,1]=4 9096 B12R0.255 CCOCCNC(=O)C=CC(C)C 240690a_100011200944_100016268746 [0,1,0,0,0,1|1,0,1]=4 9097 B12R0.255 CCOCCNC(=O)CC=C(C)C 11a_100011200944_100011220947 [0,1,0,0,0,1|1,0,1]=4 9098 B12R0.255 CCOCCNC(=O)CC=C(C)C 1626a_102516460346_100011220947 [0,1,0,0,0,1|1,0,1]=4 9099 B12R0.255 CCOCCNC(=O)CC=C(C)C 240690a_100011200944_100011220947 [0,1,0,0,0,1|1,0,1]=4 9100 B12R0.255 CCOCCNC(=O)CC=C(C)C 527a_100011200944_100011220947 [0,1,0,0,0,1|1,0,1]=4 9101 B12R0.255 CCOCCNC(=O)CCC(C)C 11a_100011200944_100000181311 [0,1,0,0,0,1|1,0,0]=3 9102 B12R0.255 CCOCCNC(=O)CCC(C)C 1626a_102516460346_100000181311 [0,1,0,0,0,1|1,0,0]=3 9103 B12R0.255 CCOCCNC(=O)CCC(C)C 240690a_100011200944_100000181311 [0,1,0,0,0,1|1,0,0]=3 9104 B12R0.255 CCOCCNC(=O)CCC(C)C 527a_100011200944_100000181311 [0,1,0,0,0,1|1,0,0]=3 9105 B12R0.255 CCOCCNC(=O)CCC(C)O 1626a_102516460346_100000718519 [0,1,0,0,0,1|2,0,0]=4 9106 B12R0.255 CCOCCNC(=O)CCN(C)C 11a_100011200944_100000689311 [0,1,0,0,0,1|2,0,0]=4 9107 B12R0.255 CCOCCNC(=O)CCN(C)C 240690a_100011200944_100000689311 [0,1,0,0,0,1|2,0,0]=4 9108 B12R0.255 CCOCCNC(=O)CCN(C)C 527a_100011200944_100000689311 [0,1,0,0,0,1|2,0,0]=4 9109 B12R0.255 CCOCCNC(=O)CC[S+](C)C 11a_100011200944_100009452791 [0,1,0,0,0,1|2,0,0]=4 9110 B12R0.255 CCOCCNC(=O)CC[S+](C)C 1626a_102516460346_100009452791 [0,1,0,0,0,1|2,0,0]=4 9111 B12R0.255 CCOCCNC(=O)CC[S+](C)C 240690a_100011200944_100009452791 [0,1,0,0,0,1|2,0,0]=4 9112 B12R0.255 CCOCCNC(=O)COC(C)C 11a_100011200944_100000745533 [0,1,0,0,0,1|1,0,0]=3 9113 B12R0.255 CCOCCNC(=O)COC(C)C 1626a_102516460346_100000745533 [0,1,0,0,0,1|1,0,0]=3 9114 B12R0.255 CCOCCNC(=O)COC(C)C 240690a_100011200944_100000745533 [0,1,0,0,0,1|1,0,0]=3 9115 B12R0.255 CCOCCNC(=O)COC(C)C 527a_100011200944_100000745533 [0,1,0,0,0,1|1,0,0]=3 9116 B12R0.255 CCOCCNC(=O)CSC(C)C 11a_100011200944_100000241585 [0,1,0,0,0,1|1,0,0]=3 9117 B12R0.255 CCOCCNC(=O)CSC(C)C 1626a_102516460346_100000241585 [0,1,0,0,0,1|1,0,0]=3 9118 B12R0.255 CCOCCNC(=O)CSC(C)C 240690a_100011200944_100000241585 [0,1,0,0,0,1|1,0,0]=3 9119 B12R0.255 CCOCCNC(=O)CSC(C)C 527a_100011200944_100000241585 [0,1,0,0,0,1|1,0,0]=3 9120 B12R0.255 CCOCCNC(=O)NCC(C)C 2708a_100000210953_100011200944 [0,1,0,0,0,1|1,0,0]=3 9121 B12R0.255 CCOCCNC(=O)NCC(C)C 2708a_100011200944_100000210953 [0,1,0,0,0,1|1,0,0]=3 9122 B12R0.255 CCOCCNC(=O)NCC(C)C 273464a_100000210953_102516460346 [0,1,0,0,0,1|1,0,0]=3 9123 B12R0.255 CCOCCNC(=O)NCC(C)C 273464a_102516460346_100000210953 [0,1,0,0,0,1|1,0,0]=3 9124 B12R0.255 CCOCCNC(=O)NCC(C)C 512a_100000210953_100011200944 [0,1,0,0,0,1|1,0,0]=3 9125 B12R0.255 CCOCCNC(=O)NCC(C)C 512a_100011200944_100000210953 [0,1,0,0,0,1|1,0,0]=3 9126 B12R0.255 CCOCCNC(=O)NCC(C)O 2708a_100011200944_100000210904 [0,1,0,0,0,1|2,0,0]=4 9127 B12R0.255 CCOCCNC(=O)NCC(C)O 273464a_100000210904_102516460346 [0,1,0,0,0,1|2,0,0]=4 9128 B12R0.255 CCOCCNC(=O)NCC(C)O 273464a_102516460346_100000210904 [0,1,0,0,0,1|2,0,0]=4 9129 B12R0.255 CCOCCNC(=O)NCC(C)O 512a_100000210904_100011200944 [0,1,0,0,0,1|2,0,0]=4 9130 B12R0.255 CCOCCNC(=O)NCC(C)O 512a_100011200944_100000210904 [0,1,0,0,0,1|2,0,0]=4 9131 B12R0.255 CCOCCNC(=O)NNC(C)C 273464a_102516460346_100000741168 [0,1,0,0,0,1|2,0,0]=4 9132 B12R0.255 CCOCCNC(=O)NNC(C)C 512a_100000741168_100011200944 [0,1,0,0,0,1|2,0,0]=4 9133 B12R0.255 CCOCCNC(=O)NNC(C)C 512a_100011200944_100000741168 [0,1,0,0,0,1|2,0,0]=4 9134 B12R0.255 CCOCCOC(=O)CNC(C)C 2230a_100138425928_200000101388 [0,1,0,0,0,1|0,0,0]=2 9135 B12R0.255 CCOCCOC(=O)CNC(C)C 34a_100138425928_200000101388 [0,1,0,0,0,1|0,0,0]=2 9136 B12R0.255 CCOCCOC(=O)COC(C)C 34a_100000212225_200000101388 [0,1,0,0,0,1|0,0,0]=2 9137 B12R0.255 CCOCCOC(=O)CSC(C)C 62a_100000210206_200000101388 [0,1,0,0,0,1|0,0,0]=2 9138 B12R0.255 CCOCCOC(=O)CSC(C)C 62a_200000101388_100000210206 [0,1,0,0,0,1|0,0,0]=2 9139 B12R0.255 CCOCCOC(C)CCC(C)C 34a_100000210136_100011261404 [0,1,0,0,0,1|1,0,1]=4 9140 B12R0.255 CCOCCOC(C)CCC(C)C 34a_100011215350_100000210147 [0,1,0,0,0,1|1,0,1]=4 9141 B12R0.255 CCOCCOC(C)CCC(C)C 7a_100011215350_100011215890 [0,1,0,0,0,1|1,0,1]=4 9142 B12R0.255 CCOCSCC(=O)NCC(C)C 62a_100000183291_100000739092 [0,1,0,0,0,1|1,1,0]=4 9143 B12R0.255 CCOCSCC(=O)NCC(C)C 62a_100000739092_100000183291 [0,1,0,0,0,1|1,1,0]=4 9144 B12R0.255 CCSCCCC(=O)NCC(C)C 62a_100000210202_100011194448 [0,1,0,0,0,1|1,0,0]=3 9145 B12R0.255 CCSCCCC(=O)NCC(C)C 62a_100011194448_100000210202 [0,1,0,0,0,1|1,0,0]=3 9146 B12R0.255 CCSCCNC(=O)C=CC(C)C 11a_100000106463_100016268746 [0,1,0,0,0,1|1,0,1]=4 9147 B12R0.255 CCSCCNC(=O)C=CC(C)C 1626a_100000106463_100016268746 [0,1,0,0,0,1|1,0,1]=4 9148 B12R0.255 CCSCCNC(=O)C=CC(C)C 240690a_100000106463_100016268746 [0,1,0,0,0,1|1,0,1]=4 9149 B12R0.255 CCSCCNC(=O)CC=C(C)C 11a_100000106463_100011220947 [0,1,0,0,0,1|1,0,1]=4 9150 B12R0.255 CCSCCNC(=O)CC=C(C)C 1626a_100000106463_100011220947 [0,1,0,0,0,1|1,0,1]=4 9151 B12R0.255 CCSCCNC(=O)CC=C(C)C 240690a_100000106463_100011220947 [0,1,0,0,0,1|1,0,1]=4 9152 B12R0.255 CCSCCNC(=O)CC=C(C)C 527a_100000106463_100011220947 [0,1,0,0,0,1|1,0,1]=4 9153 B12R0.255 CCSCCNC(=O)CCC(C)C 11a_100000106463_100000181311 [0,1,0,0,0,1|1,0,0]=3 9154 B12R0.255 CCSCCNC(=O)CCC(C)C 1626a_100000106463_100000181311 [0,1,0,0,0,1|1,0,0]=3 9155 B12R0.255 CCSCCNC(=O)CCC(C)C 240690a_100000106463_100000181311 [0,1,0,0,0,1|1,0,0]=3 9156 B12R0.255 CCSCCNC(=O)CCC(C)C 527a_100000106463_100000181311 [0,1,0,0,0,1|1,0,0]=3 9157 B12R0.255 CCSCCNC(=O)CCC(C)O 1626a_100000106463_100000718519 [0,1,0,0,0,1|2,0,0]=4 9158 B12R0.255 CCSCCNC(=O)CCN(C)C 11a_100000106463_100000689311 [0,1,0,0,0,1|2,0,0]=4 9159 B12R0.255 CCSCCNC(=O)CCN(C)C 240690a_100000106463_100000689311 [0,1,0,0,0,1|2,0,0]=4 9160 B12R0.255 CCSCCNC(=O)CCN(C)C 527a_100000106463_100000689311 [0,1,0,0,0,1|2,0,0]=4 9161 B12R0.255 CCSCCNC(=O)CC[S+](C)C 11a_100000106463_100009452791 [0,1,0,0,0,1|2,0,0]=4 9162 B12R0.255 CCSCCNC(=O)CC[S+](C)C 1626a_100000106463_100009452791 [0,1,0,0,0,1|2,0,0]=4 9163 B12R0.255 CCSCCNC(=O)CC[S+](C)C 240690a_100000106463_100009452791 [0,1,0,0,0,1|2,0,0]=4 9164 B12R0.255 CCSCCNC(=O)COC(C)C 11a_100000106463_100000745533 [0,1,0,0,0,1|1,0,0]=3 9165 B12R0.255 CCSCCNC(=O)COC(C)C 1626a_100000106463_100000745533 [0,1,0,0,0,1|1,0,0]=3 9166 B12R0.255 CCSCCNC(=O)COC(C)C 240690a_100000106463_100000745533 [0,1,0,0,0,1|1,0,0]=3 9167 B12R0.255 CCSCCNC(=O)COC(C)C 527a_100000106463_100000745533 [0,1,0,0,0,1|1,0,0]=3 9168 B12R0.255 CCSCCNC(=O)CSC(C)C 11a_100000106463_100000241585 [0,1,0,0,0,1|1,0,0]=3 9169 B12R0.255 CCSCCNC(=O)CSC(C)C 1626a_100000106463_100000241585 [0,1,0,0,0,1|1,0,0]=3 9170 B12R0.255 CCSCCNC(=O)CSC(C)C 240690a_100000106463_100000241585 [0,1,0,0,0,1|1,0,0]=3 9171 B12R0.255 CCSCCNC(=O)CSC(C)C 527a_100000106463_100000241585 [0,1,0,0,0,1|1,0,0]=3 9172 B12R0.255 CCSCCNC(=O)NCC(C)C 2708a_100000106463_100000210953 [0,1,0,0,0,1|1,0,0]=3 9173 B12R0.255 CCSCCNC(=O)NCC(C)C 2708a_100000210953_100000106463 [0,1,0,0,0,1|1,0,0]=3 9174 B12R0.255 CCSCCNC(=O)NCC(C)C 273464a_100000106463_100000210953 [0,1,0,0,0,1|1,0,0]=3 9175 B12R0.255 CCSCCNC(=O)NCC(C)C 273464a_100000210953_100000106463 [0,1,0,0,0,1|1,0,0]=3 9176 B12R0.255 CCSCCNC(=O)NCC(C)C 512a_100000106463_100000210953 [0,1,0,0,0,1|1,0,0]=3 9177 B12R0.255 CCSCCNC(=O)NCC(C)C 512a_100000210953_100000106463 [0,1,0,0,0,1|1,0,0]=3 9178 B12R0.255 CCSCCNC(=O)NCC(C)O 2708a_100000106463_100000210904 [0,1,0,0,0,1|2,0,0]=4 9179 B12R0.255 CCSCCNC(=O)NCC(C)O 273464a_100000106463_100000210904 [0,1,0,0,0,1|2,0,0]=4 9180 B12R0.255 CCSCCNC(=O)NCC(C)O 273464a_100000210904_100000106463 [0,1,0,0,0,1|2,0,0]=4 9181 B12R0.255 CCSCCNC(=O)NCC(C)O 512a_100000106463_100000210904 [0,1,0,0,0,1|2,0,0]=4 9182 B12R0.255 CCSCCNC(=O)NCC(C)O 512a_100000210904_100000106463 [0,1,0,0,0,1|2,0,0]=4 9183 B12R0.255 CCSCCNC(=O)NNC(C)C 273464a_100000106463_100000741168 [0,1,0,0,0,1|2,0,0]=4 9184 B12R0.255 CCSCCNC(=O)NNC(C)C 512a_100000106463_100000741168 [0,1,0,0,0,1|2,0,0]=4 9185 B12R0.255 CCSCCNC(=O)NNC(C)C 512a_100000741168_100000106463 [0,1,0,0,0,1|2,0,0]=4 9186 B12R0.255 CCSCCOC(C)CCC(C)C 34a_100000212035_100011261404 [0,1,0,0,0,1|1,0,1]=4 9187 B12R0.255 CCSCCOC(C)CCC(C)C 34a_100011215350_100000757381 [0,1,0,0,0,1|1,0,1]=4 9188 B12R0.255 CCSCCOC(C)CCC(C)C 7a_100011215350_100000757381 [0,1,0,0,0,1|1,0,1]=4 9189 B12R0.255 CN(C)CCC(=O)NCCCCO 240690a_100000750430_100000689311 [0,1,0,0,0,1|2,0,0]=4 9190 B12R0.255 CN(C)CCC(=O)NCCCCO 527a_100000750430_100000689311 [0,1,0,0,0,1|2,0,0]=4 9191 B12R0.255 CNCCCOC(C)CCC(C)C 34a_100000213112_100011261404 [0,1,0,0,0,1|1,0,1]=4 9192 B12R0.255 COCCCCC(=O)C=CC(C)C 1458a_100016268746_100000755781 [0,1,0,0,0,1|1,0,1]=4 9193 B12R0.255 COCCCCC(=O)CC=C(C)C 1458a_100011220947_100000755781 [0,1,0,0,0,1|1,0,1]=4 9194 B12R0.255 COCCCCC(=O)CCC(C)C 1458a_100000181311_100000755781 [0,1,0,0,0,1|1,0,0]=3 9195 B12R0.255 COCCCCC(=O)CC[S+](C)C 1458a_100009452791_100000755781 [0,1,0,0,0,1|2,0,0]=4 9196 B12R0.255 COCCCCC(=O)COC(C)C 1458a_100000745533_100000755781 [0,1,0,0,0,1|1,0,0]=3 9197 B12R0.255 COCCCCC(=O)CSC(C)C 1458a_100000241585_100000755781 [0,1,0,0,0,1|1,0,0]=3 9198 B12R0.255 COCCCNC(=O)C=CC(C)C 1626a_100150723488_100016268746 [0,1,0,0,0,1|1,0,1]=4 9199 B12R0.255 COCCCNC(=O)C=CC(C)C 240690a_100150723488_100016268746 [0,1,0,0,0,1|1,0,1]=4 9200 B12R0.255 COCCCNC(=O)CC=C(C)C 1626a_100150723488_100011220947 [0,1,0,0,0,1|1,0,1]=4 9201 B12R0.255 COCCCNC(=O)CC=C(C)C 240690a_100150723488_100011220947 [0,1,0,0,0,1|1,0,1]=4 9202 B12R0.255 COCCCNC(=O)CC=C(C)C 527a_100150723488_100011220947 [0,1,0,0,0,1|1,0,1]=4 9203 B12R0.255 COCCCNC(=O)CCC(C)C 1626a_100150723488_100000181311 [0,1,0,0,0,1|1,0,0]=3 9204 B12R0.255 COCCCNC(=O)CCC(C)C 240690a_100150723488_100000181311 [0,1,0,0,0,1|1,0,0]=3 9205 B12R0.255 COCCCNC(=O)CCC(C)C 527a_100150723488_100000181311 [0,1,0,0,0,1|1,0,0]=3 9206 B12R0.255 COCCCNC(=O)CCC(C)O 1626a_100150723488_100000718519 [0,1,0,0,0,1|2,0,0]=4 9207 B12R0.255 COCCCNC(=O)CCN(C)C 240690a_100150723488_100000689311 [0,1,0,0,0,1|2,0,0]=4 9208 B12R0.255 COCCCNC(=O)CCN(C)C 527a_100150723488_100000689311 [0,1,0,0,0,1|2,0,0]=4 9209 B12R0.255 COCCCNC(=O)CC[S+](C)C 1626a_100150723488_100009452791 [0,1,0,0,0,1|2,0,0]=4 9210 B12R0.255 COCCCNC(=O)CC[S+](C)C 240690a_100150723488_100009452791 [0,1,0,0,0,1|2,0,0]=4 9211 B12R0.255 COCCCNC(=O)CNC(C)C 2230a_100138425928_100000183178 [0,1,0,0,0,1|1,0,0]=3 9212 B12R0.255 COCCCNC(=O)CNC(C)C 34a_100138425928_100000183178 [0,1,0,0,0,1|1,0,0]=3 9213 B12R0.255 COCCCNC(=O)COC(C)C 1626a_100150723488_100000745533 [0,1,0,0,0,1|1,0,0]=3 9214 B12R0.255 COCCCNC(=O)COC(C)C 240690a_100150723488_100000745533 [0,1,0,0,0,1|1,0,0]=3 9215 B12R0.255 COCCCNC(=O)COC(C)C 34a_100000212225_100000183178 [0,1,0,0,0,1|1,0,0]=3 9216 B12R0.255 COCCCNC(=O)COC(C)C 527a_100150723488_100000745533 [0,1,0,0,0,1|1,0,0]=3 9217 B12R0.255 COCCCNC(=O)CSC(C)C 1626a_100150723488_100000241585 [0,1,0,0,0,1|1,0,0]=3 9218 B12R0.255 COCCCNC(=O)CSC(C)C 240690a_100150723488_100000241585 [0,1,0,0,0,1|1,0,0]=3 9219 B12R0.255 COCCCNC(=O)CSC(C)C 527a_100150723488_100000241585 [0,1,0,0,0,1|1,0,0]=3 9220 B12R0.255 COCCCNC(=O)CSC(C)C 62a_100000183178_100000210206 [0,1,0,0,0,1|1,0,0]=3 9221 B12R0.255 COCCCNC(=O)NCC(C)C 2708a_100000210953_100150723488 [0,1,0,0,0,1|1,0,0]=3 9222 B12R0.255 COCCCNC(=O)NCC(C)C 2708a_100150723488_100000210953 [0,1,0,0,0,1|1,0,0]=3 9223 B12R0.255 COCCCNC(=O)NCC(C)C 273464a_100000210953_100150723488 [0,1,0,0,0,1|1,0,0]=3 9224 B12R0.255 COCCCNC(=O)NCC(C)C 273464a_100150723488_100000210953 [0,1,0,0,0,1|1,0,0]=3 9225 B12R0.255 COCCCNC(=O)NCC(C)C 512a_100000210953_100150723488 [0,1,0,0,0,1|1,0,0]=3 9226 B12R0.255 COCCCNC(=O)NCC(C)O 2708a_100150723488_100000210904 [0,1,0,0,0,1|2,0,0]=4 9227 B12R0.255 COCCCNC(=O)NCC(C)O 273464a_100000210904_100150723488 [0,1,0,0,0,1|2,0,0]=4 9228 B12R0.255 COCCCNC(=O)NCC(C)O 273464a_100150723488_100000210904 [0,1,0,0,0,1|2,0,0]=4 9229 B12R0.255 COCCCNC(=O)NCC(C)O 512a_100000210904_100150723488 [0,1,0,0,0,1|2,0,0]=4 9230 B12R0.255 COCCCNC(=O)NNC(C)C 273464a_100150723488_100000741168 [0,1,0,0,0,1|2,0,0]=4 9231 B12R0.255 COCCCNC(=O)NNC(C)C 512a_100000741168_100150723488 [0,1,0,0,0,1|2,0,0]=4 9232 B12R0.255 COCCCOC(C)CCC(C)C 34a_100000740835_100011261404 [0,1,0,0,0,1|1,0,1]=4 9233 B12R0.255 COCCCOC(C)CCC(C)C 34a_100011215350_100000740836 [0,1,0,0,0,1|1,0,1]=4 9234 B12R0.255 COCCCOC(C)CCC(C)C 7a_100011215350_100000740836 [0,1,0,0,0,1|1,0,1]=4 9235 B12R0.255 COCCNCC(=O)NCC(C)C 2230a_100000209980_100000183291 [0,1,0,0,0,1|2,0,0]=4 9236 B12R0.255 COCCNNC(=O)CCC(C)C 22a_100000741390_100000181311 [0,1,0,0,0,1|2,0,0]=4 9237 B12R0.255 COCCNNC(=O)COC(C)C 22a_100000741390_100000745533 [0,1,0,0,0,1|2,0,0]=4 9238 B12R0.255 COCCNNC(=O)CSC(C)C 22a_100000741390_100000241585 [0,1,0,0,0,1|2,0,0]=4 9239 B12R0.255 COCCNNC(=O)NCC(C)C 273464a_100000210953_100000741390 [0,1,0,0,0,1|2,0,0]=4 9240 B12R0.255 COCCOCC(=O)CC=C(C)C 1458a_100000211095_100000761012 [0,1,0,0,0,1|1,0,1]=4 9241 B12R0.255 COCCOCC(=O)CCC(C)C 1458a_100000211095_100000210312 [0,1,0,0,0,1|1,0,0]=3 9242 B12R0.255 COCCOCC(=O)CCC(C)O 1458a_100000211095_100012276601 [0,1,0,0,0,1|2,0,0]=4 9243 B12R0.255 COCCOCC(=O)NCC(C)C 11a_100000210953_100000211095 [0,1,0,0,0,1|1,0,0]=3 9244 B12R0.255 COCCOCC(=O)NCC(C)C 1626a_100000210953_100000211095 [0,1,0,0,0,1|1,0,0]=3 9245 B12R0.255 COCCOCC(=O)NCC(C)C 240690a_100000210953_100000211095 [0,1,0,0,0,1|1,0,0]=3 9246 B12R0.255 COCCOCC(=O)NCC(C)C 34a_100000210237_100000183291 [0,1,0,0,0,1|1,0,0]=3 9247 B12R0.255 COCCOCC(=O)NCC(C)C 527a_100000210953_100000211095 [0,1,0,0,0,1|1,0,0]=3 9248 B12R0.255 COCCOCC(=O)NCC(C)O 11a_100000210904_100000211095 [0,1,0,0,0,1|2,0,0]=4 9249 B12R0.255 COCCOCC(=O)NCC(C)O 240690a_100000210904_100000211095 [0,1,0,0,0,1|2,0,0]=4 9250 B12R0.255 COCCOCC(=O)NCC(C)O 527a_100000210904_100000211095 [0,1,0,0,0,1|2,0,0]=4 9251 B12R0.255 COCCOCC(=O)NNC(C)C 22a_100000741168_100000211095 [0,1,0,0,0,1|2,0,0]=4 9252 B12R0.255 COCCSCC(=O)NCC(C)C 62a_100000183291_100000233755 [0,1,0,0,0,1|1,1,0]=4 9253 B12R0.255 COCCSCC(=O)NCC(C)C 62a_100000233755_100000183291 [0,1,0,0,0,1|1,1,0]=4 9254 B12R0.255 CSCCCNC(=O)C=CC(C)C 11a_100000749238_100016268746 [0,1,0,0,0,1|1,0,1]=4 9255 B12R0.255 CSCCCNC(=O)C=CC(C)C 1626a_100000749238_100016268746 [0,1,0,0,0,1|1,0,1]=4 9256 B12R0.255 CSCCCNC(=O)C=CC(C)C 240690a_100000749238_100016268746 [0,1,0,0,0,1|1,0,1]=4 9257 B12R0.255 CSCCCNC(=O)CC=C(C)C 11a_100000749238_100011220947 [0,1,0,0,0,1|1,0,1]=4 9258 B12R0.255 CSCCCNC(=O)CC=C(C)C 1626a_100000749238_100011220947 [0,1,0,0,0,1|1,0,1]=4 9259 B12R0.255 CSCCCNC(=O)CC=C(C)C 240690a_100000749238_100011220947 [0,1,0,0,0,1|1,0,1]=4 9260 B12R0.255 CSCCCNC(=O)CC=C(C)C 527a_100000749238_100011220947 [0,1,0,0,0,1|1,0,1]=4 9261 B12R0.255 CSCCCNC(=O)CCC(C)C 11a_100000749238_100000181311 [0,1,0,0,0,1|1,0,0]=3 9262 B12R0.255 CSCCCNC(=O)CCC(C)C 1626a_100000749238_100000181311 [0,1,0,0,0,1|1,0,0]=3 9263 B12R0.255 CSCCCNC(=O)CCC(C)C 240690a_100000749238_100000181311 [0,1,0,0,0,1|1,0,0]=3 9264 B12R0.255 CSCCCNC(=O)CCC(C)C 527a_100000749238_100000181311 [0,1,0,0,0,1|1,0,0]=3 9265 B12R0.255 CSCCCNC(=O)CCC(C)O 1626a_100000749238_100000718519 [0,1,0,0,0,1|2,0,0]=4 9266 B12R0.255 CSCCCNC(=O)CCN(C)C 11a_100000749238_100000689311 [0,1,0,0,0,1|2,0,0]=4 9267 B12R0.255 CSCCCNC(=O)CCN(C)C 240690a_100000749238_100000689311 [0,1,0,0,0,1|2,0,0]=4 9268 B12R0.255 CSCCCNC(=O)CCN(C)C 527a_100000749238_100000689311 [0,1,0,0,0,1|2,0,0]=4 9269 B12R0.255 CSCCCNC(=O)CC[S+](C)C 11a_100000749238_100009452791 [0,1,0,0,0,1|2,0,0]=4 9270 B12R0.255 CSCCCNC(=O)CC[S+](C)C 1626a_100000749238_100009452791 [0,1,0,0,0,1|2,0,0]=4 9271 B12R0.255 CSCCCNC(=O)CC[S+](C)C 240690a_100000749238_100009452791 [0,1,0,0,0,1|2,0,0]=4 9272 B12R0.255 CSCCCNC(=O)COC(C)C 11a_100000749238_100000745533 [0,1,0,0,0,1|1,0,0]=3 9273 B12R0.255 CSCCCNC(=O)COC(C)C 1626a_100000749238_100000745533 [0,1,0,0,0,1|1,0,0]=3 9274 B12R0.255 CSCCCNC(=O)COC(C)C 240690a_100000749238_100000745533 [0,1,0,0,0,1|1,0,0]=3 9275 B12R0.255 CSCCCNC(=O)COC(C)C 527a_100000749238_100000745533 [0,1,0,0,0,1|1,0,0]=3 9276 B12R0.255 CSCCCNC(=O)CSC(C)C 11a_100000749238_100000241585 [0,1,0,0,0,1|1,0,0]=3 9277 B12R0.255 CSCCCNC(=O)CSC(C)C 1626a_100000749238_100000241585 [0,1,0,0,0,1|1,0,0]=3 9278 B12R0.255 CSCCCNC(=O)CSC(C)C 240690a_100000749238_100000241585 [0,1,0,0,0,1|1,0,0]=3 9279 B12R0.255 CSCCCNC(=O)CSC(C)C 527a_100000749238_100000241585 [0,1,0,0,0,1|1,0,0]=3 9280 B12R0.255 CSCCCNC(=O)NCC(C)C 2708a_100000210953_100000749238 [0,1,0,0,0,1|1,0,0]=3 9281 B12R0.255 CSCCCNC(=O)NCC(C)C 2708a_100000749238_100000210953 [0,1,0,0,0,1|1,0,0]=3 9282 B12R0.255 CSCCCNC(=O)NCC(C)C 273464a_100000210953_100000749238 [0,1,0,0,0,1|1,0,0]=3 9283 B12R0.255 CSCCCNC(=O)NCC(C)C 273464a_100000749238_100000210953 [0,1,0,0,0,1|1,0,0]=3 9284 B12R0.255 CSCCCNC(=O)NCC(C)C 512a_100000210953_100000749238 [0,1,0,0,0,1|1,0,0]=3 9285 B12R0.255 CSCCCNC(=O)NCC(C)C 512a_100000749238_100000210953 [0,1,0,0,0,1|1,0,0]=3 9286 B12R0.255 CSCCCNC(=O)NCC(C)O 2708a_100000749238_100000210904 [0,1,0,0,0,1|2,0,0]=4 9287 B12R0.255 CSCCCNC(=O)NCC(C)O 273464a_100000210904_100000749238 [0,1,0,0,0,1|2,0,0]=4 9288 B12R0.255 CSCCCNC(=O)NCC(C)O 273464a_100000749238_100000210904 [0,1,0,0,0,1|2,0,0]=4 9289 B12R0.255 CSCCCNC(=O)NCC(C)O 512a_100000210904_100000749238 [0,1,0,0,0,1|2,0,0]=4 9290 B12R0.255 CSCCCNC(=O)NCC(C)O 512a_100000749238_100000210904 [0,1,0,0,0,1|2,0,0]=4 9291 B12R0.255 CSCCCNC(=O)NNC(C)C 273464a_100000749238_100000741168 [0,1,0,0,0,1|2,0,0]=4 9292 B12R0.255 CSCCCNC(=O)NNC(C)C 512a_100000741168_100000749238 [0,1,0,0,0,1|2,0,0]=4 9293 B12R0.255 CSCCCNC(=O)NNC(C)C 512a_100000749238_100000741168 [0,1,0,0,0,1|2,0,0]=4 9294 B12R0.255 CSCCCOC(C)CCC(C)C 34a_100000690336_100011261404 [0,1,0,0,0,1|1,0,1]=4 9295 B12R0.255 CSCCNCC(=O)NCC(C)C 2230a_100020590264_100000183291 [0,1,0,0,0,1|2,0,0]=4 9296 B12R0.255 CSCCOCC(=O)NCC(C)C 34a_100000230434_100000183291 [0,1,0,0,0,1|1,0,0]=3 9297 B12R0.255 CSCCOCC(=O)NCC(C)C 7a_100000230434_100000183291 [0,1,0,0,0,1|1,0,0]=3 9298 B12R0.255 CSCCSCC(=O)NCC(C)C 62a_100000183291_100000751147 [0,1,0,0,0,1|1,1,0]=4 9299 B12R0.255 CSCCSCC(=O)NCC(C)C 62a_100000212216_100000183291 [0,1,0,0,0,1|1,1,0]=4 9300 B12R0.255 C[S+](C)CCC(=O)CCCCCF 1458a_100009452791_100000729378 [0,1,0,0,0,1|2,0,0]=4 9301 B12R0.255 C[S+](C)CCC(=O)CCCCCO 1458a_100009452791_100000746330 [0,1,0,0,0,1|2,0,0]=4 9302 B12R0.255 C[S+](C)CCC(=O)NCCCCO 240690a_100000750430_100009452791 [0,1,0,0,0,1|2,0,0]=4 9303 B12R0.255 [13CH3]C(=O)CCC(=O)OCCCCO 1458a_200009914559_200025704644 [0,1,0,0,0,1|1,0,1]=4 9304 B12R0.283 C=C(CCC)CC(=O)CCC(C)C 1458a_100000138376_100000210312 [0,1,0,0,0,1|1,0,1]=4 9305 B12R0.283 C=C(CCC)CC(=O)NCC(C)C 11a_100000210953_100000138376 [0,1,0,0,0,1|1,0,1]=4 9306 B12R0.283 C=C(CCC)CC(=O)NCC(C)C 240690a_100000210953_100000138376 [0,1,0,0,0,1|1,0,1]=4 9307 B12R0.283 C=C(CCC)CC(=O)NCC(C)C 527a_100000210953_100000138376 [0,1,0,0,0,1|1,0,1]=4 9308 B12R0.283 CC(C)CCC(=O)N[C@H](C)CCO 240690a_100000706166_100000181311 [0,1,0,0,0,1|2,0,0]=4 9309 B12R0.283 CC(C)CCC(=O)N[C@H](C)CCO 527a_100000706166_100000181311 [0,1,0,0,0,1|2,0,0]=4 9310 B12R0.283 CC(C)CNC(=O)N[C@H](C)CCO 2708a_100000210953_100000706166 [0,1,0,0,0,1|2,0,0]=4 9311 B12R0.283 CC(C)CNC(=O)N[C@H](C)CCO 273464a_100000706166_100000210953 [0,1,0,0,0,1|2,0,0]=4 9312 B12R0.283 CC(C)CNC(=O)N[C@H](C)CCO 512a_100000210953_100000706166 [0,1,0,0,0,1|2,0,0]=4 9313 B12R0.283 CC(C)CNC(=O)N[C@H](C)CCO 512a_100000706166_100000210953 [0,1,0,0,0,1|2,0,0]=4 9314 B12R0.283 CC(C)OCC(=O)N[C@H](C)CCO 240690a_100000706166_100000745533 [0,1,0,0,0,1|2,0,0]=4 9315 B12R0.283 CC(C)OCC(=O)N[C@H](C)CCO 527a_100000706166_100000745533 [0,1,0,0,0,1|2,0,0]=4 9316 B12R0.283 CC(C)SCC(=O)N[C@H](C)CCO 240690a_100000706166_100000241585 [0,1,0,0,0,1|2,0,0]=4 9317 B12R0.283 CC(C)SCC(=O)N[C@H](C)CCO 527a_100000706166_100000241585 [0,1,0,0,0,1|2,0,0]=4 9318 B12R0.283 CCCC(=CC(=O)CCC(C)C)C 1458a_100020676950_100000210312 [0,1,0,0,0,1|1,0,1]=4 9319 B12R0.283 CCCC(=CC(=O)NCC(C)C)C 11a_100000210953_100020676950 [0,1,0,0,0,1|1,0,1]=4 9320 B12R0.283 CCCC(=CC(=O)NCC(C)C)C 1626a_100000210953_100020676950 [0,1,0,0,0,1|1,0,1]=4 9321 B12R0.283 CCCC(=CC(=O)NCC(C)C)C 240690a_100000210953_100020676950 [0,1,0,0,0,1|1,0,1]=4 9322 B12R0.283 CCCC(=O)CC(=O)CCC(C)C 1458a_100000181311_100000747444 [0,1,0,0,0,1|1,0,1]=4 9323 B12R0.283 CCCC(=O)CC(=O)COC(C)C 1458a_100000745533_100000747444 [0,1,0,0,0,1|1,0,1]=4 9324 B12R0.283 CCCC(=O)CC(=O)CSC(C)C 1458a_100000241585_100000747444 [0,1,0,0,0,1|1,0,1]=4 9325 B12R0.283 CCCC(=O)CC(=O)NCC(C)C 1458a_100000211992_100000183291 [0,1,0,0,0,1|1,0,1]=4 9326 B12R0.283 CCCC(C)CC(=O)C=CC(C)C 1458a_100016268746_100011216630 [0,1,0,0,0,1|1,0,1]=4 9327 B12R0.283 CCCC(C)CC(=O)CC=C(C)C 1458a_100000748435_100000761012 [0,1,0,0,0,1|1,0,1]=4 9328 B12R0.283 CCCC(C)CC(=O)CC=C(C)C 1458a_100011220947_100011216630 [0,1,0,0,0,1|1,0,1]=4 9329 B12R0.283 CCCC(C)CC(=O)CCC(C)C 1458a_100000181311_100011216630 [0,1,0,0,0,1|1,0,0]=3 9330 B12R0.283 CCCC(C)CC(=O)CCC(C)C 1458a_100000748435_100000210312 [0,1,0,0,0,1|1,0,0]=3 9331 B12R0.283 CCCC(C)CC(=O)CCC(C)O 1458a_100000748435_100012276601 [0,1,0,0,0,1|2,0,0]=4 9332 B12R0.283 CCCC(C)CC(=O)CC[S+](C)C 1458a_100009452791_100011216630 [0,1,0,0,0,1|2,0,0]=4 9333 B12R0.283 CCCC(C)CC(=O)COC(C)C 1458a_100000745533_100011216630 [0,1,0,0,0,1|1,0,0]=3 9334 B12R0.283 CCCC(C)CC(=O)CSC(C)C 1458a_100000241585_100011216630 [0,1,0,0,0,1|1,0,0]=3 9335 B12R0.283 CCCC(C)CC(=O)NCC(C)C 11a_100000210953_100000748435 [0,1,0,0,0,1|1,0,0]=3 9336 B12R0.283 CCCC(C)CC(=O)NCC(C)C 1626a_100000210953_100000748435 [0,1,0,0,0,1|1,0,0]=3 9337 B12R0.283 CCCC(C)CC(=O)NCC(C)C 240690a_100000210953_100000748435 [0,1,0,0,0,1|1,0,0]=3 9338 B12R0.283 CCCC(C)CC(=O)NCC(C)C 527a_100000210953_100000748435 [0,1,0,0,0,1|1,0,0]=3 9339 B12R0.283 CCCC(C)CC(=O)NCC(C)O 11a_100000210904_100000748435 [0,1,0,0,0,1|2,0,0]=4 9340 B12R0.283 CCCC(C)CC(=O)NCC(C)O 240690a_100000210904_100000748435 [0,1,0,0,0,1|2,0,0]=4 9341 B12R0.283 CCCC(C)CC(=O)NCC(C)O 527a_100000210904_100000748435 [0,1,0,0,0,1|2,0,0]=4 9342 B12R0.283 CCCC(C)CC(=O)NNC(C)C 22a_100000741168_100000748435 [0,1,0,0,0,1|2,0,0]=4 9343 B12R0.283 CCCC(C)NC(=O)C=CC(C)C 11a_100000741246_100016268746 [0,1,0,0,0,1|1,0,1]=4 9344 B12R0.283 CCCC(C)NC(=O)C=CC(C)C 1626a_100000741246_100016268746 [0,1,0,0,0,1|1,0,1]=4 9345 B12R0.283 CCCC(C)NC(=O)C=CC(C)C 240690a_100000741246_100016268746 [0,1,0,0,0,1|1,0,1]=4 9346 B12R0.283 CCCC(C)NC(=O)CC=C(C)C 11a_100000741246_100011220947 [0,1,0,0,0,1|1,0,1]=4 9347 B12R0.283 CCCC(C)NC(=O)CC=C(C)C 1626a_100000741246_100011220947 [0,1,0,0,0,1|1,0,1]=4 9348 B12R0.283 CCCC(C)NC(=O)CC=C(C)C 240690a_100000741246_100011220947 [0,1,0,0,0,1|1,0,1]=4 9349 B12R0.283 CCCC(C)NC(=O)CC=C(C)C 527a_100000741246_100011220947 [0,1,0,0,0,1|1,0,1]=4 9350 B12R0.283 CCCC(C)NC(=O)CCC(C)C 11a_100000741246_100000181311 [0,1,0,0,0,1|1,0,0]=3 9351 B12R0.283 CCCC(C)NC(=O)CCC(C)C 1626a_100000741246_100000181311 [0,1,0,0,0,1|1,0,0]=3 9352 B12R0.283 CCCC(C)NC(=O)CCC(C)C 240690a_100000741246_100000181311 [0,1,0,0,0,1|1,0,0]=3 9353 B12R0.283 CCCC(C)NC(=O)CCC(C)C 527a_100000741246_100000181311 [0,1,0,0,0,1|1,0,0]=3 9354 B12R0.283 CCCC(C)NC(=O)CCC(C)O 1626a_100000741246_100000718519 [0,1,0,0,0,1|2,0,0]=4 9355 B12R0.283 CCCC(C)NC(=O)CCN(C)C 11a_100000741246_100000689311 [0,1,0,0,0,1|2,0,0]=4 9356 B12R0.283 CCCC(C)NC(=O)CCN(C)C 240690a_100000741246_100000689311 [0,1,0,0,0,1|2,0,0]=4 9357 B12R0.283 CCCC(C)NC(=O)CCN(C)C 527a_100000741246_100000689311 [0,1,0,0,0,1|2,0,0]=4 9358 B12R0.283 CCCC(C)NC(=O)CC[S+](C)C 11a_100000741246_100009452791 [0,1,0,0,0,1|2,0,0]=4 9359 B12R0.283 CCCC(C)NC(=O)CC[S+](C)C 1626a_100000741246_100009452791 [0,1,0,0,0,1|2,0,0]=4 9360 B12R0.283 CCCC(C)NC(=O)CC[S+](C)C 240690a_100000741246_100009452791 [0,1,0,0,0,1|2,0,0]=4 9361 B12R0.283 CCCC(C)NC(=O)COC(C)C 11a_100000741246_100000745533 [0,1,0,0,0,1|1,0,0]=3 9362 B12R0.283 CCCC(C)NC(=O)COC(C)C 1626a_100000741246_100000745533 [0,1,0,0,0,1|1,0,0]=3 9363 B12R0.283 CCCC(C)NC(=O)COC(C)C 240690a_100000741246_100000745533 [0,1,0,0,0,1|1,0,0]=3 9364 B12R0.283 CCCC(C)NC(=O)COC(C)C 527a_100000741246_100000745533 [0,1,0,0,0,1|1,0,0]=3 9365 B12R0.283 CCCC(C)NC(=O)CSC(C)C 11a_100000741246_100000241585 [0,1,0,0,0,1|1,0,0]=3 9366 B12R0.283 CCCC(C)NC(=O)CSC(C)C 1626a_100000741246_100000241585 [0,1,0,0,0,1|1,0,0]=3 9367 B12R0.283 CCCC(C)NC(=O)CSC(C)C 240690a_100000741246_100000241585 [0,1,0,0,0,1|1,0,0]=3 9368 B12R0.283 CCCC(C)NC(=O)CSC(C)C 527a_100000741246_100000241585 [0,1,0,0,0,1|1,0,0]=3 9369 B12R0.283 CCCC(C)NC(=O)NCC(C)C 2708a_100000210953_100000741246 [0,1,0,0,0,1|1,0,0]=3 9370 B12R0.283 CCCC(C)NC(=O)NCC(C)C 2708a_100000741246_100000210953 [0,1,0,0,0,1|1,0,0]=3 9371 B12R0.283 CCCC(C)NC(=O)NCC(C)C 273464a_100000741246_100000210953 [0,1,0,0,0,1|1,0,0]=3 9372 B12R0.283 CCCC(C)NC(=O)NCC(C)C 512a_100000210953_100000741246 [0,1,0,0,0,1|1,0,0]=3 9373 B12R0.283 CCCC(C)NC(=O)NCC(C)C 512a_100000741246_100000210953 [0,1,0,0,0,1|1,0,0]=3 9374 B12R0.283 CCCC(C)NC(=O)NCC(C)O 2708a_100000741246_100000210904 [0,1,0,0,0,1|2,0,0]=4 9375 B12R0.283 CCCC(C)NC(=O)NCC(C)O 273464a_100000741246_100000210904 [0,1,0,0,0,1|2,0,0]=4 9376 B12R0.283 CCCC(C)NC(=O)NCC(C)O 512a_100000210904_100000741246 [0,1,0,0,0,1|2,0,0]=4 9377 B12R0.283 CCCC(C)NC(=O)NCC(C)O 512a_100000741246_100000210904 [0,1,0,0,0,1|2,0,0]=4 9378 B12R0.283 CCCC(C)NC(=O)NNC(C)C 273464a_100000741246_100000741168 [0,1,0,0,0,1|2,0,0]=4 9379 B12R0.283 CCCC(C)NC(=O)NNC(C)C 512a_100000741168_100000741246 [0,1,0,0,0,1|2,0,0]=4 9380 B12R0.283 CCCC(C)NC(=O)NNC(C)C 512a_100000741246_100000741168 [0,1,0,0,0,1|2,0,0]=4 9381 B12R0.283 CCCC(C)OC(C)CCC(C)C 34a_100000764384_100011261404 [0,1,0,0,0,1|1,0,1]=4 9382 B12R0.283 CCCC(C)OC(C)CCC(C)C 34a_100011215350_100000766640 [0,1,0,0,0,1|1,0,1]=4 9383 B12R0.283 CCCC(C)OC(C)CCC(C)C 7a_100011215350_100000766640 [0,1,0,0,0,1|1,0,1]=4 9384 B12R0.283 CCCN(C)CC(=O)NCC(C)C 2230a_100000747261_100000183291 [0,1,0,0,0,1|2,0,0]=4 9385 B12R0.283 CCCN(C)CC(=O)NCC(C)C 269982a_100000747261_100000183291 [0,1,0,0,0,1|2,0,0]=4 9386 B12R0.283 CCCS(=O)CC(=O)CCC(C)C 1458a_100011387404_100000210312 [0,1,0,0,0,1|2,0,0]=4 9387 B12R0.283 CCCS(=O)CC(=O)NCC(C)C 11a_100000210953_100011387404 [0,1,0,0,0,1|2,0,0]=4 9388 B12R0.283 CCCS(=O)CC(=O)NCC(C)C 1626a_100000210953_100011387404 [0,1,0,0,0,1|2,0,0]=4 9389 B12R0.283 CCCS(=O)CC(=O)NCC(C)C 240690a_100000210953_100011387404 [0,1,0,0,0,1|2,0,0]=4 9390 B12R0.283 CCCS(=O)CC(=O)NCC(C)C 527a_100000210953_100011387404 [0,1,0,0,0,1|2,0,0]=4 9391 B12R0.283 CCSC(C)CC(=O)CCC(C)C 1458a_200011311441_100000210312 [0,1,0,0,0,1|2,0,0]=4 9392 B12R0.283 CCSC(C)CC(=O)NCC(C)C 11a_100000210953_200011311441 [0,1,0,0,0,1|2,0,0]=4 9393 B12R0.283 CCSC(C)CC(=O)NCC(C)C 1626a_100000210953_200011311441 [0,1,0,0,0,1|2,0,0]=4 9394 B12R0.283 CCSC(C)CC(=O)NCC(C)C 240690a_100000210953_200011311441 [0,1,0,0,0,1|2,0,0]=4 9395 B12R0.283 CCSC(C)CC(=O)NCC(C)C 527a_100000210953_200011311441 [0,1,0,0,0,1|2,0,0]=4 9396 B12R0.283 COC[C@@H](C)NC(=O)CCC(C)C 11a_100000764878_100000181311 [0,1,0,0,0,1|2,0,0]=4 9397 B12R0.283 COC[C@@H](C)NC(=O)CCC(C)C 1626a_100000764878_100000181311 [0,1,0,0,0,1|2,0,0]=4 9398 B12R0.283 COC[C@@H](C)NC(=O)CCC(C)C 240690a_100000764878_100000181311 [0,1,0,0,0,1|2,0,0]=4 9399 B12R0.283 COC[C@@H](C)NC(=O)CCC(C)C 527a_100000764878_100000181311 [0,1,0,0,0,1|2,0,0]=4 9400 B12R0.283 COC[C@@H](C)NC(=O)COC(C)C 11a_100000764878_100000745533 [0,1,0,0,0,1|2,0,0]=4 9401 B12R0.283 COC[C@@H](C)NC(=O)COC(C)C 1626a_100000764878_100000745533 [0,1,0,0,0,1|2,0,0]=4 9402 B12R0.283 COC[C@@H](C)NC(=O)COC(C)C 240690a_100000764878_100000745533 [0,1,0,0,0,1|2,0,0]=4 9403 B12R0.283 COC[C@@H](C)NC(=O)COC(C)C 527a_100000764878_100000745533 [0,1,0,0,0,1|2,0,0]=4 9404 B12R0.283 COC[C@@H](C)NC(=O)CSC(C)C 11a_100000764878_100000241585 [0,1,0,0,0,1|2,0,0]=4 9405 B12R0.283 COC[C@@H](C)NC(=O)CSC(C)C 1626a_100000764878_100000241585 [0,1,0,0,0,1|2,0,0]=4 9406 B12R0.283 COC[C@@H](C)NC(=O)CSC(C)C 240690a_100000764878_100000241585 [0,1,0,0,0,1|2,0,0]=4 9407 B12R0.283 COC[C@@H](C)NC(=O)CSC(C)C 527a_100000764878_100000241585 [0,1,0,0,0,1|2,0,0]=4 9408 B12R0.283 COC[C@@H](C)NC(=O)NCC(C)C 2708a_100000210953_100000764878 [0,1,0,0,0,1|2,0,0]=4 9409 B12R0.283 COC[C@@H](C)NC(=O)NCC(C)C 2708a_100000764878_100000210953 [0,1,0,0,0,1|2,0,0]=4 9410 B12R0.283 COC[C@@H](C)NC(=O)NCC(C)C 273464a_100000210953_100000764878 [0,1,0,0,0,1|2,0,0]=4 9411 B12R0.283 COC[C@@H](C)NC(=O)NCC(C)C 273464a_100000764878_100000210953 [0,1,0,0,0,1|2,0,0]=4 9412 B12R0.283 COC[C@@H](C)NC(=O)NCC(C)C 512a_100000210953_100000764878 [0,1,0,0,0,1|2,0,0]=4 9413 B12R0.283 COC[C@@H](C)NC(=O)NCC(C)C 512a_100000764878_100000210953 [0,1,0,0,0,1|2,0,0]=4 9414 B12R0.645 CCCCCS(=O)(=O)NCC(C)C 270084a_100000210953_100000753860 [0,1,0,0,0,1|2,0,0]=4 9415 B12R0.645 CCCCCS(=O)(=O)NCC(C)C 274078a_100000210953_100000753860 [0,1,0,0,0,1|2,0,0]=4 9416 B12R0.645 CCCCNS(=O)(=O)CCC(C)C 270084a_100000102301_100000750698 [0,1,0,0,0,1|2,0,0]=4 9417 B12R0.645 CCCCNS(=O)(=O)CCC(C)C 274078a_100000102301_100000750698 [0,1,0,0,0,1|2,0,0]=4 9418 B12R0.645 CCCCOC(C)(C)CCC(C)C 34a_100000210227_200000037585 [0,1,0,0,0,1|1,0,1]=4 9419 B12R0.645 CCCCOC(C)(C)CCC(C)C 7a_200011218267_100000210211 [0,1,0,0,0,1|1,0,1]=4 9420 B12R0.649 CC(C)(C)CCC(=O)CCCCF 1458a_100000757465_100000729493 [0,1,0,0,0,1|2,0,0]=4 9421 B12R0.649 CC(C)(C)CCC(=O)CCCCO 1458a_100000695505_100000755188 [0,1,0,0,0,1|2,0,0]=4 9422 B12R0.649 CC(C)(C)CCC(=O)CCCCO 1458a_100000757465_100000210776 [0,1,0,0,0,1|2,0,0]=4 9423 B12R0.649 CC(C)(C)CCC(=O)NCCCF 11a_100015189416_100000757465 [0,1,0,0,0,1|2,0,0]=4 9424 B12R0.649 CC(C)(C)CCC(=O)NCCCF 1626a_100015189416_100000757465 [0,1,0,0,0,1|2,0,0]=4 9425 B12R0.649 CC(C)(C)CCC(=O)NCCCF 240690a_100015189416_100000757465 [0,1,0,0,0,1|2,0,0]=4 9426 B12R0.649 CC(C)(C)CCC(=O)NCCCF 527a_100015189416_100000757465 [0,1,0,0,0,1|2,0,0]=4 9427 B12R0.649 CC(C)(C)CCC(=O)NCCCO 240690a_100000182051_100000757465 [0,1,0,0,0,1|2,0,0]=4 9428 B12R0.649 CC(C)(C)CCC(=O)NCCCO 527a_100000182051_100000757465 [0,1,0,0,0,1|2,0,0]=4 9429 B12R0.649 CC(C)(C)CNC(=O)CCCCO 1626a_100000743828_100000695505 [0,1,0,0,0,1|2,0,0]=4 9430 B12R0.649 CC(C)(C)CNC(=O)NCCCF 2708a_100000743828_100015189416 [0,1,0,0,0,1|2,0,0]=4 9431 B12R0.649 CC(C)(C)CNC(=O)NCCCF 2708a_100015189416_100000743828 [0,1,0,0,0,1|2,0,0]=4 9432 B12R0.649 CC(C)(C)CNC(=O)NCCCF 273464a_100000743828_100015189416 [0,1,0,0,0,1|2,0,0]=4 9433 B12R0.649 CC(C)(C)CNC(=O)NCCCF 273464a_100015189416_100000743828 [0,1,0,0,0,1|2,0,0]=4 9434 B12R0.649 CC(C)(C)CNC(=O)NCCCF 512a_100000743828_100015189416 [0,1,0,0,0,1|2,0,0]=4 9435 B12R0.649 CC(C)(C)CNC(=O)NCCCF 512a_100015189416_100000743828 [0,1,0,0,0,1|2,0,0]=4 9436 B12R0.649 CC(C)(C)CNC(=O)NCCCO 2708a_100000743828_100000182051 [0,1,0,0,0,1|2,0,0]=4 9437 B12R0.649 CC(C)(C)CNC(=O)NCCCO 273464a_100000182051_100000743828 [0,1,0,0,0,1|2,0,0]=4 9438 B12R0.649 CC(C)(C)CNC(=O)NCCCO 273464a_100000743828_100000182051 [0,1,0,0,0,1|2,0,0]=4 9439 B12R0.649 CC(C)(C)CNC(=O)NCCCO 512a_100000743828_100000182051 [0,1,0,0,0,1|2,0,0]=4 9440 B12R0.649 CC(C)(C)OCC(=O)CCCCF 1458a_100000686494_100000729493 [0,1,0,0,0,1|2,0,0]=4 9441 B12R0.649 CC(C)(C)OCC(=O)CCCCO 1458a_100000686494_100000210776 [0,1,0,0,0,1|2,0,0]=4 9442 B12R0.649 CC(C)(C)OCC(=O)NCCCF 11a_100015189416_100000686494 [0,1,0,0,0,1|2,0,0]=4 9443 B12R0.649 CC(C)(C)OCC(=O)NCCCF 1626a_100015189416_100000686494 [0,1,0,0,0,1|2,0,0]=4 9444 B12R0.649 CC(C)(C)OCC(=O)NCCCF 240690a_100015189416_100000686494 [0,1,0,0,0,1|2,0,0]=4 9445 B12R0.649 CC(C)(C)OCC(=O)NCCCF 527a_100015189416_100000686494 [0,1,0,0,0,1|2,0,0]=4 9446 B12R0.649 CC(C)(C)OCC(=O)NCCCO 240690a_100000182051_100000686494 [0,1,0,0,0,1|2,0,0]=4 9447 B12R0.649 CC(C)(C)OCC(=O)NCCCO 527a_100000182051_100000686494 [0,1,0,0,0,1|2,0,0]=4 9448 B12R0.649 CC(C)(F)CNC(=O)CCCCO 1626a_100020643315_100000695505 [0,1,0,0,0,1|2,0,0]=4 9449 B12R0.649 CC(C)(F)CNC(=O)NCCCF 2708a_100015189416_100020643315 [0,1,0,0,0,1|2,0,0]=4 9450 B12R0.649 CC(C)(F)CNC(=O)NCCCF 2708a_100020643315_100015189416 [0,1,0,0,0,1|2,0,0]=4 9451 B12R0.649 CC(C)(F)CNC(=O)NCCCF 273464a_100015189416_100020643315 [0,1,0,0,0,1|2,0,0]=4 9452 B12R0.649 CC(C)(F)CNC(=O)NCCCF 273464a_100020643315_100015189416 [0,1,0,0,0,1|2,0,0]=4 9453 B12R0.649 CC(C)(F)CNC(=O)NCCCF 512a_100015189416_100020643315 [0,1,0,0,0,1|2,0,0]=4 9454 B12R0.649 CC(C)(F)CNC(=O)NCCCF 512a_100020643315_100015189416 [0,1,0,0,0,1|2,0,0]=4 9455 B12R0.649 CC(C)(F)CNC(=O)NCCCO 2708a_100020643315_100000182051 [0,1,0,0,0,1|2,0,0]=4 9456 B12R0.649 CC(C)(F)CNC(=O)NCCCO 273464a_100000182051_100020643315 [0,1,0,0,0,1|2,0,0]=4 9457 B12R0.649 CC(C)(F)CNC(=O)NCCCO 273464a_100020643315_100000182051 [0,1,0,0,0,1|2,0,0]=4 9458 B12R0.649 CC(C)(F)CNC(=O)NCCCO 512a_100020643315_100000182051 [0,1,0,0,0,1|2,0,0]=4 9459 B12R0.649 CC(C)(O)CNC(=O)CCCCO 1626a_100000751335_100000695505 [0,1,0,0,0,1|2,0,0]=4 9460 B12R0.649 CC(C)(O)CNC(=O)NCCCF 2708a_100015189416_100000751335 [0,1,0,0,0,1|2,0,0]=4 9461 B12R0.649 CC(C)(O)CNC(=O)NCCCF 273464a_100015189416_100000751335 [0,1,0,0,0,1|2,0,0]=4 9462 B12R0.649 CC(C)(O)CNC(=O)NCCCF 512a_100000751335_100015189416 [0,1,0,0,0,1|2,0,0]=4 9463 B12R0.649 CC(C)(O)CNC(=O)NCCCF 512a_100015189416_100000751335 [0,1,0,0,0,1|2,0,0]=4 9464 B12R0.649 CC(C)(O)CNC(=O)NCCCO 273464a_100000182051_100000751335 [0,1,0,0,0,1|2,0,0]=4 9465 B12R0.649 CC(C)(O)CNC(=O)NCCCO 512a_100000751335_100000182051 [0,1,0,0,0,1|2,0,0]=4 9466 B12R0.649 CCCC#CC(=O)CCC(C)(C)C 1458a_200011218047_100000755188 [0,1,0,0,0,1|1,0,1]=4 9467 B12R0.649 CCCC#CC(=O)NCC(C)(C)C 240690a_100000743828_200011218047 [0,1,0,0,0,1|1,0,1]=4 9468 B12R0.649 CCCC#CC(=O)NCC(C)(C)F 240690a_100020643315_200011218047 [0,1,0,0,0,1|1,0,1]=4 9469 B12R0.649 CCCC#CC(=O)NCC(C)(C)O 240690a_100000751335_200011218047 [0,1,0,0,0,1|1,0,1]=4 9470 B12R0.649 CCCC=CC(=O)CCC(C)(C)C 1458a_100000212230_100000755188 [0,1,0,0,0,1|1,0,1]=4 9471 B12R0.649 CCCC=CC(=O)NCC(C)(C)C 11a_100000743828_100000212230 [0,1,0,0,0,1|1,0,1]=4 9472 B12R0.649 CCCC=CC(=O)NCC(C)(C)C 1626a_100000743828_100000212230 [0,1,0,0,0,1|1,0,1]=4 9473 B12R0.649 CCCC=CC(=O)NCC(C)(C)C 240690a_100000743828_100000212230 [0,1,0,0,0,1|1,0,1]=4 9474 B12R0.649 CCCC=CC(=O)NCC(C)(C)F 11a_100020643315_100000212230 [0,1,0,0,0,1|1,0,1]=4 9475 B12R0.649 CCCC=CC(=O)NCC(C)(C)F 1626a_100020643315_100000212230 [0,1,0,0,0,1|1,0,1]=4 9476 B12R0.649 CCCC=CC(=O)NCC(C)(C)F 240690a_100020643315_100000212230 [0,1,0,0,0,1|1,0,1]=4 9477 B12R0.649 CCCC=CC(=O)NCC(C)(C)O 1626a_100000751335_100000212230 [0,1,0,0,0,1|1,0,1]=4 9478 B12R0.649 CCCC=CC(=O)NCC(C)(C)O 240690a_100000751335_100000212230 [0,1,0,0,0,1|1,0,1]=4 9479 B12R0.649 CCCCCC(=O)C#CC(C)(C)C 1458a_100011966651_100000210326 [0,1,0,0,0,1|1,0,1]=4 9480 B12R0.649 CCCCCC(=O)CCC(C)(C)C 1458a_100000212188_100000755188 [0,1,0,0,0,1|1,0,0]=3 9481 B12R0.649 CCCCCC(=O)CCC(C)(C)C 1458a_100000757465_100000210326 [0,1,0,0,0,1|1,0,0]=3 9482 B12R0.649 CCCCCC(=O)CCC(C)(F)F 1458a_100000030992_100000210326 [0,1,0,0,0,1|2,0,0]=4 9483 B12R0.649 CCCCCC(=O)CC[N+](C)(C)C 1458a_100000212188_100000085578 [0,1,0,0,0,1|2,0,0]=4 9484 B12R0.649 CCCCCC(=O)CC[Si](C)(C)C 1458a_100000212188_200000733723 [0,1,0,0,0,1|1,1,0]=4 9485 B12R0.649 CCCCCC(=O)CC[Si](C)(C)C 1458a_100011215282_100000210326 [0,1,0,0,0,1|1,1,0]=4 9486 B12R0.649 CCCCCC(=O)CNC(C)(C)C 2230a_100000715429_200012276598 [0,1,0,0,0,1|1,0,0]=3 9487 B12R0.649 CCCCCC(=O)COC(C)(C)C 1458a_100000686494_100000210326 [0,1,0,0,0,1|1,0,0]=3 9488 B12R0.649 CCCCCC(=O)COC(C)(C)C 34a_100015890283_200012276598 [0,1,0,0,0,1|1,0,0]=3 9489 B12R0.649 CCCCCC(=O)COC(C)(C)C 7a_100015890283_200012276598 [0,1,0,0,0,1|1,0,0]=3 9490 B12R0.649 CCCCCC(=O)CSC(C)(C)C 62a_100000211941_200012276598 [0,1,0,0,0,1|1,0,0]=3 9491 B12R0.649 CCCCCC(=O)CSC(C)(C)C 62a_200012276598_100000211941 [0,1,0,0,0,1|1,0,0]=3 9492 B12R0.649 CCCCCC(=O)NCC(C)(C)C 11a_100000743828_100000212188 [0,1,0,0,0,1|1,0,0]=3 9493 B12R0.649 CCCCCC(=O)NCC(C)(C)C 1626a_100000743828_100000212188 [0,1,0,0,0,1|1,0,0]=3 9494 B12R0.649 CCCCCC(=O)NCC(C)(C)C 240690a_100000743828_100000212188 [0,1,0,0,0,1|1,0,0]=3 9495 B12R0.649 CCCCCC(=O)NCC(C)(C)C 527a_100000743828_100000212188 [0,1,0,0,0,1|1,0,0]=3 9496 B12R0.649 CCCCCC(=O)NCC(C)(C)F 11a_100020643315_100000212188 [0,1,0,0,0,1|1,0,0]=3 9497 B12R0.649 CCCCCC(=O)NCC(C)(C)F 1626a_100020643315_100000212188 [0,1,0,0,0,1|1,0,0]=3 9498 B12R0.649 CCCCCC(=O)NCC(C)(C)F 240690a_100020643315_100000212188 [0,1,0,0,0,1|1,0,0]=3 9499 B12R0.649 CCCCCC(=O)NCC(C)(C)F 527a_100020643315_100000212188 [0,1,0,0,0,1|1,0,0]=3 9500 B12R0.649 CCCCCC(=O)NCC(C)(C)O 1626a_100000751335_100000212188 [0,1,0,0,0,1|1,0,0]=3 9501 B12R0.649 CCCCCC(=O)NCC(C)(C)O 240690a_100000751335_100000212188 [0,1,0,0,0,1|1,0,0]=3 9502 B12R0.649 CCCCCC(=O)NCC(C)(C)O 527a_100000751335_100000212188 [0,1,0,0,0,1|1,0,0]=3 9503 B12R0.649 CCCCCC(=O)NCC(C)(F)F 11a_100000731000_100000212188 [0,1,0,0,0,1|2,0,0]=4 9504 B12R0.649 CCCCCC(=O)NCC(C)(F)F 1626a_100000731000_100000212188 [0,1,0,0,0,1|2,0,0]=4 9505 B12R0.649 CCCCCC(=O)NCC(C)(F)F 240690a_100000731000_100000212188 [0,1,0,0,0,1|2,0,0]=4 9506 B12R0.649 CCCCCC(=O)NCC(C)(F)F 527a_100000731000_100000212188 [0,1,0,0,0,1|2,0,0]=4 9507 B12R0.649 CCCCCC(=O)NC[Si](C)(C)C 11a_102516607284_100000212188 [0,1,0,0,0,1|1,1,0]=4 9508 B12R0.649 CCCCCC(=O)NC[Si](C)(C)C 1626a_102516607284_100000212188 [0,1,0,0,0,1|1,1,0]=4 9509 B12R0.649 CCCCCC(=O)NC[Si](C)(C)C 240690a_102516607284_100000212188 [0,1,0,0,0,1|1,1,0]=4 9510 B12R0.649 CCCCCC(=O)NC[Si](C)(C)C 527a_102516607284_100000212188 [0,1,0,0,0,1|1,1,0]=4 9511 B12R0.649 CCCCCC(=O)NNC(C)(C)C 22a_100000725372_100000212188 [0,1,0,0,0,1|2,0,0]=4 9512 B12R0.649 CCCCNC(=O)C#CC(C)(C)C 240690a_100000102301_100011966651 [0,1,0,0,0,1|1,0,1]=4 9513 B12R0.649 CCCCNC(=O)CCC(C)(C)C 11a_100000102301_100000757465 [0,1,0,0,0,1|1,0,0]=3 9514 B12R0.649 CCCCNC(=O)CCC(C)(C)C 1626a_100000102301_100000757465 [0,1,0,0,0,1|1,0,0]=3 9515 B12R0.649 CCCCNC(=O)CCC(C)(C)C 240690a_100000102301_100000757465 [0,1,0,0,0,1|1,0,0]=3 9516 B12R0.649 CCCCNC(=O)CCC(C)(C)C 527a_100000102301_100000757465 [0,1,0,0,0,1|1,0,0]=3 9517 B12R0.649 CCCCNC(=O)CCC(C)(F)F 11a_100000102301_100000030992 [0,1,0,0,0,1|2,0,0]=4 9518 B12R0.649 CCCCNC(=O)CCC(C)(F)F 1626a_100000102301_100000030992 [0,1,0,0,0,1|2,0,0]=4 9519 B12R0.649 CCCCNC(=O)CCC(C)(F)F 240690a_100000102301_100000030992 [0,1,0,0,0,1|2,0,0]=4 9520 B12R0.649 CCCCNC(=O)CCC(C)(F)F 527a_100000102301_100000030992 [0,1,0,0,0,1|2,0,0]=4 9521 B12R0.649 CCCCNC(=O)CC[Si](C)(C)C 1626a_100000102301_100011215282 [0,1,0,0,0,1|1,1,0]=4 9522 B12R0.649 CCCCNC(=O)CC[Si](C)(C)C 240690a_100000102301_100011215282 [0,1,0,0,0,1|1,1,0]=4 9523 B12R0.649 CCCCNC(=O)CC[Si](C)(C)C 527a_100000102301_100011215282 [0,1,0,0,0,1|1,1,0]=4 9524 B12R0.649 CCCCNC(=O)CNC(C)(C)C 2230a_100000715429_100000182744 [0,1,0,0,0,1|1,0,0]=3 9525 B12R0.649 CCCCNC(=O)COC(C)(C)C 11a_100000102301_100000686494 [0,1,0,0,0,1|1,0,0]=3 9526 B12R0.649 CCCCNC(=O)COC(C)(C)C 1626a_100000102301_100000686494 [0,1,0,0,0,1|1,0,0]=3 9527 B12R0.649 CCCCNC(=O)COC(C)(C)C 240690a_100000102301_100000686494 [0,1,0,0,0,1|1,0,0]=3 9528 B12R0.649 CCCCNC(=O)COC(C)(C)C 34a_100015890283_100000182744 [0,1,0,0,0,1|1,0,0]=3 9529 B12R0.649 CCCCNC(=O)COC(C)(C)C 527a_100000102301_100000686494 [0,1,0,0,0,1|1,0,0]=3 9530 B12R0.649 CCCCNC(=O)COC(C)(C)C 7a_100015890283_100000182744 [0,1,0,0,0,1|1,0,0]=3 9531 B12R0.649 CCCCNC(=O)CSC(C)(C)C 62a_100000182744_100000211941 [0,1,0,0,0,1|1,0,0]=3 9532 B12R0.649 CCCCNC(=O)CSC(C)(C)C 62a_100000211941_100000182744 [0,1,0,0,0,1|1,0,0]=3 9533 B12R0.649 CCCCNC(=O)NCC(C)(C)C 2708a_100000102301_100000743828 [0,1,0,0,0,1|1,0,0]=3 9534 B12R0.649 CCCCNC(=O)NCC(C)(C)C 2708a_100000743828_100000102301 [0,1,0,0,0,1|1,0,0]=3 9535 B12R0.649 CCCCNC(=O)NCC(C)(C)C 273464a_100000102301_100000743828 [0,1,0,0,0,1|1,0,0]=3 9536 B12R0.649 CCCCNC(=O)NCC(C)(C)C 273464a_100000743828_100000102301 [0,1,0,0,0,1|1,0,0]=3 9537 B12R0.649 CCCCNC(=O)NCC(C)(C)C 512a_100000102301_100000743828 [0,1,0,0,0,1|1,0,0]=3 9538 B12R0.649 CCCCNC(=O)NCC(C)(C)C 512a_100000743828_100000102301 [0,1,0,0,0,1|1,0,0]=3 9539 B12R0.649 CCCCNC(=O)NCC(C)(C)F 2708a_100000102301_100020643315 [0,1,0,0,0,1|1,0,0]=3 9540 B12R0.649 CCCCNC(=O)NCC(C)(C)F 2708a_100020643315_100000102301 [0,1,0,0,0,1|1,0,0]=3 9541 B12R0.649 CCCCNC(=O)NCC(C)(C)F 273464a_100000102301_100020643315 [0,1,0,0,0,1|1,0,0]=3 9542 B12R0.649 CCCCNC(=O)NCC(C)(C)F 273464a_100020643315_100000102301 [0,1,0,0,0,1|1,0,0]=3 9543 B12R0.649 CCCCNC(=O)NCC(C)(C)F 512a_100000102301_100020643315 [0,1,0,0,0,1|1,0,0]=3 9544 B12R0.649 CCCCNC(=O)NCC(C)(C)F 512a_100020643315_100000102301 [0,1,0,0,0,1|1,0,0]=3 9545 B12R0.649 CCCCNC(=O)NCC(C)(C)O 2708a_100000102301_100000751335 [0,1,0,0,0,1|1,0,0]=3 9546 B12R0.649 CCCCNC(=O)NCC(C)(C)O 273464a_100000102301_100000751335 [0,1,0,0,0,1|1,0,0]=3 9547 B12R0.649 CCCCNC(=O)NCC(C)(C)O 512a_100000102301_100000751335 [0,1,0,0,0,1|1,0,0]=3 9548 B12R0.649 CCCCNC(=O)NCC(C)(C)O 512a_100000751335_100000102301 [0,1,0,0,0,1|1,0,0]=3 9549 B12R0.649 CCCCNC(=O)NCC(C)(F)F 2708a_100000102301_100000731000 [0,1,0,0,0,1|2,0,0]=4 9550 B12R0.649 CCCCNC(=O)NCC(C)(F)F 273464a_100000102301_100000731000 [0,1,0,0,0,1|2,0,0]=4 9551 B12R0.649 CCCCNC(=O)NCC(C)(F)F 273464a_100000731000_100000102301 [0,1,0,0,0,1|2,0,0]=4 9552 B12R0.649 CCCCNC(=O)NCC(C)(F)F 512a_100000102301_100000731000 [0,1,0,0,0,1|2,0,0]=4 9553 B12R0.649 CCCCNC(=O)NCC(C)(F)F 512a_100000731000_100000102301 [0,1,0,0,0,1|2,0,0]=4 9554 B12R0.649 CCCCNC(=O)NC[Si](C)(C)C 2708a_100000102301_102516607284 [0,1,0,0,0,1|1,1,0]=4 9555 B12R0.649 CCCCNC(=O)NC[Si](C)(C)C 2708a_102516607284_100000102301 [0,1,0,0,0,1|1,1,0]=4 9556 B12R0.649 CCCCNC(=O)NC[Si](C)(C)C 273464a_100000102301_102516607284 [0,1,0,0,0,1|1,1,0]=4 9557 B12R0.649 CCCCNC(=O)NC[Si](C)(C)C 273464a_102516607284_100000102301 [0,1,0,0,0,1|1,1,0]=4 9558 B12R0.649 CCCCNC(=O)NC[Si](C)(C)C 512a_100000102301_102516607284 [0,1,0,0,0,1|1,1,0]=4 9559 B12R0.649 CCCCNC(=O)NC[Si](C)(C)C 512a_102516607284_100000102301 [0,1,0,0,0,1|1,1,0]=4 9560 B12R0.649 CCCCNC(=O)NNC(C)(C)C 273464a_100000102301_100000725372 [0,1,0,0,0,1|2,0,0]=4 9561 B12R0.649 CCCCNC(=O)NNC(C)(C)C 512a_100000102301_100000725372 [0,1,0,0,0,1|2,0,0]=4 9562 B12R0.649 CCCCNC(=O)NNC(C)(C)C 512a_100000725372_100000102301 [0,1,0,0,0,1|2,0,0]=4 9563 B12R0.649 CCCCOC(=O)CNC(C)(C)C 2230a_100000715429_100000211628 [0,1,0,0,0,1|0,0,0]=2 9564 B12R0.649 CCCCOC(=O)COC(C)(C)C 34a_100015890283_100000211628 [0,1,0,0,0,1|0,0,0]=2 9565 B12R0.649 CCCCOC(=O)COC(C)(C)C 7a_100015890283_100000211628 [0,1,0,0,0,1|0,0,0]=2 9566 B12R0.649 CCCCOC(=O)CSC(C)(C)C 62a_100000211628_100000211941 [0,1,0,0,0,1|0,0,0]=2 9567 B12R0.649 CCCCOC(=O)CSC(C)(C)C 62a_100000211941_100000211628 [0,1,0,0,0,1|0,0,0]=2 9568 B12R0.649 CCCCOC(=O)CSC(F)(F)F 62a_100000211628_200103152311 [0,1,0,0,0,1|2,0,0]=4 9569 B12R0.649 CCCCOC(=O)CSC(F)(F)F 62a_200000243211_100000211628 [0,1,0,0,0,1|2,0,0]=4 9570 B12R0.649 CCCCOC(C)COC(C)(C)C 7a_100011215624_100000210211 [0,1,0,0,0,1|1,0,1]=4 9571 B12R0.649 CCCNNC(=O)CCC(C)(C)C 22a_100000740057_100000757465 [0,1,0,0,0,1|2,0,0]=4 9572 B12R0.649 CCCNNC(=O)COC(C)(C)C 22a_100000740057_100000686494 [0,1,0,0,0,1|2,0,0]=4 9573 B12R0.649 CCCNNC(=O)NCC(C)(C)C 273464a_100000743828_100000740057 [0,1,0,0,0,1|2,0,0]=4 9574 B12R0.649 CCCNNC(=O)NCC(C)(C)C 512a_100000740057_100000743828 [0,1,0,0,0,1|2,0,0]=4 9575 B12R0.649 CCCNNC(=O)NCC(C)(C)C 512a_100000743828_100000740057 [0,1,0,0,0,1|2,0,0]=4 9576 B12R0.649 CCCNNC(=O)NCC(C)(C)F 273464a_100020643315_100000740057 [0,1,0,0,0,1|2,0,0]=4 9577 B12R0.649 CCCNNC(=O)NCC(C)(C)F 512a_100000740057_100020643315 [0,1,0,0,0,1|2,0,0]=4 9578 B12R0.649 CCCNNC(=O)NCC(C)(C)F 512a_100020643315_100000740057 [0,1,0,0,0,1|2,0,0]=4 9579 B12R0.649 CCCNNC(=O)NCC(C)(C)O 512a_100000740057_100000751335 [0,1,0,0,0,1|2,0,0]=4 9580 B12R0.649 CCCNNC(=O)NCC(C)(C)O 512a_100000751335_100000740057 [0,1,0,0,0,1|2,0,0]=4 9581 B12R0.649 CCCOCC(=O)CCC(C)(C)C 1458a_100000745993_100000755188 [0,1,0,0,0,1|2,0,0]=4 9582 B12R0.649 CCCOCC(=O)NCC(C)(C)C 11a_100000743828_100000745993 [0,1,0,0,0,1|2,0,0]=4 9583 B12R0.649 CCCOCC(=O)NCC(C)(C)C 1626a_100000743828_100000745993 [0,1,0,0,0,1|2,0,0]=4 9584 B12R0.649 CCCOCC(=O)NCC(C)(C)C 240690a_100000743828_100000745993 [0,1,0,0,0,1|2,0,0]=4 9585 B12R0.649 CCCOCC(=O)NCC(C)(C)C 527a_100000743828_100000745993 [0,1,0,0,0,1|2,0,0]=4 9586 B12R0.649 CCCOCC(=O)NCC(C)(C)F 11a_100020643315_100000745993 [0,1,0,0,0,1|2,0,0]=4 9587 B12R0.649 CCCOCC(=O)NCC(C)(C)F 1626a_100020643315_100000745993 [0,1,0,0,0,1|2,0,0]=4 9588 B12R0.649 CCCOCC(=O)NCC(C)(C)F 240690a_100020643315_100000745993 [0,1,0,0,0,1|2,0,0]=4 9589 B12R0.649 CCCOCC(=O)NCC(C)(C)F 527a_100020643315_100000745993 [0,1,0,0,0,1|2,0,0]=4 9590 B12R0.649 CCCOCC(=O)NCC(C)(C)O 1626a_100000751335_100000745993 [0,1,0,0,0,1|2,0,0]=4 9591 B12R0.649 CCCOCC(=O)NCC(C)(C)O 240690a_100000751335_100000745993 [0,1,0,0,0,1|2,0,0]=4 9592 B12R0.649 CCCOCC(=O)NCC(C)(C)O 527a_100000751335_100000745993 [0,1,0,0,0,1|2,0,0]=4 9593 B12R0.649 CCCOCC(=O)OCC(C)(C)C 34a_100000210258_200010402935 [0,1,0,0,0,1|2,0,0]=4 9594 B12R0.649 CCCSCC(=O)CCC(C)(C)C 1458a_100000217233_100000755188 [0,1,0,0,0,1|2,0,0]=4 9595 B12R0.649 CCCSCC(=O)NCC(C)(C)C 11a_100000743828_100000217233 [0,1,0,0,0,1|2,0,0]=4 9596 B12R0.649 CCCSCC(=O)NCC(C)(C)C 1626a_100000743828_100000217233 [0,1,0,0,0,1|2,0,0]=4 9597 B12R0.649 CCCSCC(=O)NCC(C)(C)C 240690a_100000743828_100000217233 [0,1,0,0,0,1|2,0,0]=4 9598 B12R0.649 CCCSCC(=O)NCC(C)(C)C 527a_100000743828_100000217233 [0,1,0,0,0,1|2,0,0]=4 9599 B12R0.649 CCCSCC(=O)NCC(C)(C)F 11a_100020643315_100000217233 [0,1,0,0,0,1|2,0,0]=4 9600 B12R0.649 CCCSCC(=O)NCC(C)(C)F 1626a_100020643315_100000217233 [0,1,0,0,0,1|2,0,0]=4 9601 B12R0.649 CCCSCC(=O)NCC(C)(C)F 240690a_100020643315_100000217233 [0,1,0,0,0,1|2,0,0]=4 9602 B12R0.649 CCCSCC(=O)NCC(C)(C)F 527a_100020643315_100000217233 [0,1,0,0,0,1|2,0,0]=4 9603 B12R0.649 CCCSCC(=O)NCC(C)(C)O 1626a_100000751335_100000217233 [0,1,0,0,0,1|2,0,0]=4 9604 B12R0.649 CCCSCC(=O)NCC(C)(C)O 240690a_100000751335_100000217233 [0,1,0,0,0,1|2,0,0]=4 9605 B12R0.649 CCCSCC(=O)NCC(C)(C)O 527a_100000751335_100000217233 [0,1,0,0,0,1|2,0,0]=4 9606 B12R0.649 CCCSCC(=O)OCC(C)(C)C 62a_100000210303_200010402935 [0,1,0,0,0,1|2,0,0]=4 9607 B12R0.649 CCCSCC(=O)OCC(C)(C)C 62a_200010402935_100000210303 [0,1,0,0,0,1|2,0,0]=4 9608 B12R0.649 CCOCCC(=O)CCC(C)(C)C 1458a_100000749530_100000755188 [0,1,0,0,0,1|2,0,0]=4 9609 B12R0.649 CCOCCC(=O)CCC(C)(C)C 1458a_100000757465_100011215890 [0,1,0,0,0,1|2,0,0]=4 9610 B12R0.649 CCOCCC(=O)COC(C)(C)C 1458a_100000686494_100011215890 [0,1,0,0,0,1|2,0,0]=4 9611 B12R0.649 CCOCCC(=O)NCC(C)(C)C 11a_100000743828_100000749530 [0,1,0,0,0,1|2,0,0]=4 9612 B12R0.649 CCOCCC(=O)NCC(C)(C)C 1626a_100000743828_100000749530 [0,1,0,0,0,1|2,0,0]=4 9613 B12R0.649 CCOCCC(=O)NCC(C)(C)C 240690a_100000743828_100000749530 [0,1,0,0,0,1|2,0,0]=4 9614 B12R0.649 CCOCCC(=O)NCC(C)(C)C 527a_100000743828_100000749530 [0,1,0,0,0,1|2,0,0]=4 9615 B12R0.649 CCOCCC(=O)NCC(C)(C)F 11a_100020643315_100000749530 [0,1,0,0,0,1|2,0,0]=4 9616 B12R0.649 CCOCCC(=O)NCC(C)(C)F 1626a_100020643315_100000749530 [0,1,0,0,0,1|2,0,0]=4 9617 B12R0.649 CCOCCC(=O)NCC(C)(C)F 240690a_100020643315_100000749530 [0,1,0,0,0,1|2,0,0]=4 9618 B12R0.649 CCOCCC(=O)NCC(C)(C)F 527a_100020643315_100000749530 [0,1,0,0,0,1|2,0,0]=4 9619 B12R0.649 CCOCCC(=O)NCC(C)(C)O 1626a_100000751335_100000749530 [0,1,0,0,0,1|2,0,0]=4 9620 B12R0.649 CCOCCC(=O)NCC(C)(C)O 240690a_100000751335_100000749530 [0,1,0,0,0,1|2,0,0]=4 9621 B12R0.649 CCOCCC(=O)NCC(C)(C)O 527a_100000751335_100000749530 [0,1,0,0,0,1|2,0,0]=4 9622 B12R0.649 CCSCCC(=O)CCC(C)(C)C 1458a_100000230768_100000755188 [0,1,0,0,0,1|2,0,0]=4 9623 B12R0.649 CCSCCC(=O)CCC(C)(C)C 1458a_100000757465_100000757381 [0,1,0,0,0,1|2,0,0]=4 9624 B12R0.649 CCSCCC(=O)COC(C)(C)C 1458a_100000686494_100000757381 [0,1,0,0,0,1|2,0,0]=4 9625 B12R0.649 CCSCCC(=O)NCC(C)(C)C 11a_100000743828_100000230768 [0,1,0,0,0,1|2,0,0]=4 9626 B12R0.649 CCSCCC(=O)NCC(C)(C)C 1626a_100000743828_100000230768 [0,1,0,0,0,1|2,0,0]=4 9627 B12R0.649 CCSCCC(=O)NCC(C)(C)C 240690a_100000743828_100000230768 [0,1,0,0,0,1|2,0,0]=4 9628 B12R0.649 CCSCCC(=O)NCC(C)(C)C 527a_100000743828_100000230768 [0,1,0,0,0,1|2,0,0]=4 9629 B12R0.649 CCSCCC(=O)NCC(C)(C)F 11a_100020643315_100000230768 [0,1,0,0,0,1|2,0,0]=4 9630 B12R0.649 CCSCCC(=O)NCC(C)(C)F 1626a_100020643315_100000230768 [0,1,0,0,0,1|2,0,0]=4 9631 B12R0.649 CCSCCC(=O)NCC(C)(C)F 240690a_100020643315_100000230768 [0,1,0,0,0,1|2,0,0]=4 9632 B12R0.649 CCSCCC(=O)NCC(C)(C)F 527a_100020643315_100000230768 [0,1,0,0,0,1|2,0,0]=4 9633 B12R0.649 CCSCCC(=O)NCC(C)(C)O 1626a_100000751335_100000230768 [0,1,0,0,0,1|2,0,0]=4 9634 B12R0.649 CCSCCC(=O)NCC(C)(C)O 240690a_100000751335_100000230768 [0,1,0,0,0,1|2,0,0]=4 9635 B12R0.649 CCSCCC(=O)NCC(C)(C)O 527a_100000751335_100000230768 [0,1,0,0,0,1|2,0,0]=4 9636 B12R0.649 COCCCC(=O)CCC(C)(C)C 1458a_100000741012_100000755188 [0,1,0,0,0,1|2,0,0]=4 9637 B12R0.649 COCCCC(=O)CCC(C)(C)C 1458a_100000757465_100000740836 [0,1,0,0,0,1|2,0,0]=4 9638 B12R0.649 COCCCC(=O)COC(C)(C)C 1458a_100000686494_100000740836 [0,1,0,0,0,1|2,0,0]=4 9639 B12R0.649 COCCCC(=O)NCC(C)(C)C 11a_100000743828_100000741012 [0,1,0,0,0,1|2,0,0]=4 9640 B12R0.649 COCCCC(=O)NCC(C)(C)C 1626a_100000743828_100000741012 [0,1,0,0,0,1|2,0,0]=4 9641 B12R0.649 COCCCC(=O)NCC(C)(C)C 240690a_100000743828_100000741012 [0,1,0,0,0,1|2,0,0]=4 9642 B12R0.649 COCCCC(=O)NCC(C)(C)C 527a_100000743828_100000741012 [0,1,0,0,0,1|2,0,0]=4 9643 B12R0.649 COCCCC(=O)NCC(C)(C)F 11a_100020643315_100000741012 [0,1,0,0,0,1|2,0,0]=4 9644 B12R0.649 COCCCC(=O)NCC(C)(C)F 1626a_100020643315_100000741012 [0,1,0,0,0,1|2,0,0]=4 9645 B12R0.649 COCCCC(=O)NCC(C)(C)F 240690a_100020643315_100000741012 [0,1,0,0,0,1|2,0,0]=4 9646 B12R0.649 COCCCC(=O)NCC(C)(C)F 527a_100020643315_100000741012 [0,1,0,0,0,1|2,0,0]=4 9647 B12R0.649 COCCCC(=O)NCC(C)(C)O 1626a_100000751335_100000741012 [0,1,0,0,0,1|2,0,0]=4 9648 B12R0.649 COCCCC(=O)NCC(C)(C)O 240690a_100000751335_100000741012 [0,1,0,0,0,1|2,0,0]=4 9649 B12R0.649 COCCCC(=O)NCC(C)(C)O 527a_100000751335_100000741012 [0,1,0,0,0,1|2,0,0]=4 9650 B12R0.649 COCCNC(=O)CCC(C)(C)C 1626a_100000209980_100000757465 [0,1,0,0,0,1|2,0,0]=4 9651 B12R0.649 COCCNC(=O)CCC(C)(C)C 240690a_100000209980_100000757465 [0,1,0,0,0,1|2,0,0]=4 9652 B12R0.649 COCCNC(=O)CCC(C)(C)C 527a_100000209980_100000757465 [0,1,0,0,0,1|2,0,0]=4 9653 B12R0.649 COCCNC(=O)CNC(C)(C)C 2230a_100000715429_100000183275 [0,1,0,0,0,1|2,0,0]=4 9654 B12R0.649 COCCNC(=O)COC(C)(C)C 1626a_100000209980_100000686494 [0,1,0,0,0,1|2,0,0]=4 9655 B12R0.649 COCCNC(=O)COC(C)(C)C 240690a_100000209980_100000686494 [0,1,0,0,0,1|2,0,0]=4 9656 B12R0.649 COCCNC(=O)COC(C)(C)C 34a_100015890283_100000183275 [0,1,0,0,0,1|2,0,0]=4 9657 B12R0.649 COCCNC(=O)COC(C)(C)C 527a_100000209980_100000686494 [0,1,0,0,0,1|2,0,0]=4 9658 B12R0.649 COCCNC(=O)COC(C)(C)C 7a_100015890283_100000183275 [0,1,0,0,0,1|2,0,0]=4 9659 B12R0.649 COCCNC(=O)CSC(C)(C)C 62a_100000183275_100000211941 [0,1,0,0,0,1|2,0,0]=4 9660 B12R0.649 COCCNC(=O)CSC(C)(C)C 62a_100000211941_100000183275 [0,1,0,0,0,1|2,0,0]=4 9661 B12R0.649 COCCNC(=O)NCC(C)(C)C 2708a_100000743828_100000209980 [0,1,0,0,0,1|2,0,0]=4 9662 B12R0.649 COCCNC(=O)NCC(C)(C)C 273464a_100000209980_100000743828 [0,1,0,0,0,1|2,0,0]=4 9663 B12R0.649 COCCNC(=O)NCC(C)(C)C 273464a_100000743828_100000209980 [0,1,0,0,0,1|2,0,0]=4 9664 B12R0.649 COCCNC(=O)NCC(C)(C)F 2708a_100020643315_100000209980 [0,1,0,0,0,1|2,0,0]=4 9665 B12R0.649 COCCNC(=O)NCC(C)(C)F 273464a_100000209980_100020643315 [0,1,0,0,0,1|2,0,0]=4 9666 B12R0.649 COCCNC(=O)NCC(C)(C)F 273464a_100020643315_100000209980 [0,1,0,0,0,1|2,0,0]=4 9667 B12R0.649 COCCNC(=O)NCC(C)(C)O 273464a_100000209980_100000751335 [0,1,0,0,0,1|2,0,0]=4 9668 B12R0.649 COCCOC(=O)CNC(C)(C)C 2230a_100000715429_200000040189 [0,1,0,0,0,1|1,0,0]=3 9669 B12R0.649 COCCOC(=O)COC(C)(C)C 34a_100015890283_200000040189 [0,1,0,0,0,1|1,0,0]=3 9670 B12R0.649 COCCOC(=O)COC(C)(C)C 7a_100015890283_200000040189 [0,1,0,0,0,1|1,0,0]=3 9671 B12R0.649 COCCOC(=O)CSC(C)(C)C 62a_100000211941_200000040189 [0,1,0,0,0,1|1,0,0]=3 9672 B12R0.649 COCCOC(=O)CSC(C)(C)C 62a_200000040189_100000211941 [0,1,0,0,0,1|1,0,0]=3 9673 B12R0.649 CSCCCC(=O)CCC(C)(C)C 1458a_100000173376_100000755188 [0,1,0,0,0,1|2,0,0]=4 9674 B12R0.649 CSCCCC(=O)NCC(C)(C)C 11a_100000743828_100000173376 [0,1,0,0,0,1|2,0,0]=4 9675 B12R0.649 CSCCCC(=O)NCC(C)(C)C 1626a_100000743828_100000173376 [0,1,0,0,0,1|2,0,0]=4 9676 B12R0.649 CSCCCC(=O)NCC(C)(C)C 240690a_100000743828_100000173376 [0,1,0,0,0,1|2,0,0]=4 9677 B12R0.649 CSCCCC(=O)NCC(C)(C)C 527a_100000743828_100000173376 [0,1,0,0,0,1|2,0,0]=4 9678 B12R0.649 CSCCCC(=O)NCC(C)(C)F 11a_100020643315_100000173376 [0,1,0,0,0,1|2,0,0]=4 9679 B12R0.649 CSCCCC(=O)NCC(C)(C)F 1626a_100020643315_100000173376 [0,1,0,0,0,1|2,0,0]=4 9680 B12R0.649 CSCCCC(=O)NCC(C)(C)F 240690a_100020643315_100000173376 [0,1,0,0,0,1|2,0,0]=4 9681 B12R0.649 CSCCCC(=O)NCC(C)(C)F 527a_100020643315_100000173376 [0,1,0,0,0,1|2,0,0]=4 9682 B12R0.649 CSCCCC(=O)NCC(C)(C)O 1626a_100000751335_100000173376 [0,1,0,0,0,1|2,0,0]=4 9683 B12R0.649 CSCCCC(=O)NCC(C)(C)O 240690a_100000751335_100000173376 [0,1,0,0,0,1|2,0,0]=4 9684 B12R0.649 CSCCCC(=O)NCC(C)(C)O 527a_100000751335_100000173376 [0,1,0,0,0,1|2,0,0]=4 9685 B12R0.649 CSCCNC(=O)CCC(C)(C)C 11a_100020590264_100000757465 [0,1,0,0,0,1|2,0,0]=4 9686 B12R0.649 CSCCNC(=O)CCC(C)(C)C 1626a_100020590264_100000757465 [0,1,0,0,0,1|2,0,0]=4 9687 B12R0.649 CSCCNC(=O)CCC(C)(C)C 240690a_100020590264_100000757465 [0,1,0,0,0,1|2,0,0]=4 9688 B12R0.649 CSCCNC(=O)CCC(C)(C)C 527a_100020590264_100000757465 [0,1,0,0,0,1|2,0,0]=4 9689 B12R0.649 CSCCNC(=O)COC(C)(C)C 11a_100020590264_100000686494 [0,1,0,0,0,1|2,0,0]=4 9690 B12R0.649 CSCCNC(=O)COC(C)(C)C 1626a_100020590264_100000686494 [0,1,0,0,0,1|2,0,0]=4 9691 B12R0.649 CSCCNC(=O)COC(C)(C)C 240690a_100020590264_100000686494 [0,1,0,0,0,1|2,0,0]=4 9692 B12R0.649 CSCCNC(=O)COC(C)(C)C 527a_100020590264_100000686494 [0,1,0,0,0,1|2,0,0]=4 9693 B12R0.649 CSCCNC(=O)NCC(C)(C)C 2708a_100000743828_100020590264 [0,1,0,0,0,1|2,0,0]=4 9694 B12R0.649 CSCCNC(=O)NCC(C)(C)C 2708a_100020590264_100000743828 [0,1,0,0,0,1|2,0,0]=4 9695 B12R0.649 CSCCNC(=O)NCC(C)(C)C 273464a_100000743828_100020590264 [0,1,0,0,0,1|2,0,0]=4 9696 B12R0.649 CSCCNC(=O)NCC(C)(C)C 273464a_100020590264_100000743828 [0,1,0,0,0,1|2,0,0]=4 9697 B12R0.649 CSCCNC(=O)NCC(C)(C)C 512a_100000743828_100020590264 [0,1,0,0,0,1|2,0,0]=4 9698 B12R0.649 CSCCNC(=O)NCC(C)(C)C 512a_100020590264_100000743828 [0,1,0,0,0,1|2,0,0]=4 9699 B12R0.649 CSCCNC(=O)NCC(C)(C)F 2708a_100020590264_100020643315 [0,1,0,0,0,1|2,0,0]=4 9700 B12R0.649 CSCCNC(=O)NCC(C)(C)F 2708a_100020643315_100020590264 [0,1,0,0,0,1|2,0,0]=4 9701 B12R0.649 CSCCNC(=O)NCC(C)(C)F 273464a_100020590264_100020643315 [0,1,0,0,0,1|2,0,0]=4 9702 B12R0.649 CSCCNC(=O)NCC(C)(C)F 273464a_100020643315_100020590264 [0,1,0,0,0,1|2,0,0]=4 9703 B12R0.649 CSCCNC(=O)NCC(C)(C)F 512a_100020590264_100020643315 [0,1,0,0,0,1|2,0,0]=4 9704 B12R0.649 CSCCNC(=O)NCC(C)(C)F 512a_100020643315_100020590264 [0,1,0,0,0,1|2,0,0]=4 9705 B12R0.649 CSCCNC(=O)NCC(C)(C)O 2708a_100020590264_100000751335 [0,1,0,0,0,1|2,0,0]=4 9706 B12R0.649 CSCCNC(=O)NCC(C)(C)O 273464a_100020590264_100000751335 [0,1,0,0,0,1|2,0,0]=4 9707 B12R0.649 CSCCNC(=O)NCC(C)(C)O 512a_100000751335_100020590264 [0,1,0,0,0,1|2,0,0]=4 9708 B12R0.649 CSCCNC(=O)NCC(C)(C)O 512a_100020590264_100000751335 [0,1,0,0,0,1|2,0,0]=4 9709 B12R0.2 CC(C)CC(C)OC(C)CCCCl 34a_200000718107_100000731052 [0,2,0,0,0,0|1,0,1]=4 9710 B12R0.2 CC(C)CC(C)OC(C)CCCCl 7a_200000718107_100000731052 [0,2,0,0,0,0|1,0,1]=4 9711 B12R0.2 CC(C)OC(=O)OC(C)SCCF 62a_100000067433_100011217306 [0,2,0,0,0,0|2,0,0]=4 9712 B12R0.2 CC(C)OC(=O)OC(C)SCCF 62a_100011217306_100000067433 [0,2,0,0,0,0|2,0,0]=4 9713 B12R0.2 CC(C)OC(=O)OC(C)SCCO 62a_100000067433_100000211926 [0,2,0,0,0,0|2,0,0]=4 9714 B12R0.2 CC(C)OC(=O)OC(C)SCCO 62a_100000211926_100000067433 [0,2,0,0,0,0|2,0,0]=4 9715 B12R0.2 CCCCC(=O)CC(=O)NC(C)C 1458a_100000210183_100000183996 [0,2,0,0,0,0|2,0,0]=4 9716 B12R0.2 CCCCC(=O)CC(=O)OC(C)C 1458a_100000210183_100011215430 [0,2,0,0,0,0|2,0,0]=4 9717 B12R0.2 CCCCC(C)NC(=O)CC(C)C 11a_100000126638_100000210554 [0,2,0,0,0,0|1,0,0]=3 9718 B12R0.2 CCCCC(C)NC(=O)CC(C)C 1626a_100000126638_100000210554 [0,2,0,0,0,0|1,0,0]=3 9719 B12R0.2 CCCCC(C)NC(=O)CC(C)C 240690a_100000126638_100000210554 [0,2,0,0,0,0|1,0,0]=3 9720 B12R0.2 CCCCC(C)NC(=O)CC(C)C 527a_100000126638_100000210554 [0,2,0,0,0,0|1,0,0]=3 9721 B12R0.2 CCCCC(C)NC(=O)CN(C)C 11a_100000126638_100000750896 [0,2,0,0,0,0|2,0,0]=4 9722 B12R0.2 CCCCC(C)NC(=O)CN(C)C 240690a_100000126638_100000750896 [0,2,0,0,0,0|2,0,0]=4 9723 B12R0.2 CCCCC(C)NC(=O)CN(C)C 527a_100000126638_100000750896 [0,2,0,0,0,0|2,0,0]=4 9724 B12R0.2 CCCCC(C)NC(=O)C[C@@H](C)O 240690a_100000126638_100011933948 [0,2,0,0,0,0|2,0,0]=4 9725 B12R0.2 CCCCC(C)NC(=O)C[S+](C)C 11a_100000126638_200159257847 [0,2,0,0,0,0|2,0,0]=4 9726 B12R0.2 CCCCC(C)NC(=O)C[S+](C)C 1626a_100000126638_200159257847 [0,2,0,0,0,0|2,0,0]=4 9727 B12R0.2 CCCCC(C)NC(=O)C[S+](C)C 240690a_100000126638_200159257847 [0,2,0,0,0,0|2,0,0]=4 9728 B12R0.2 CCCCC(C)NC(=O)C[S+](C)C 527a_100000126638_200159257847 [0,2,0,0,0,0|2,0,0]=4 9729 B12R0.2 CCCCC(C)NC(=O)NC(C)C 2708a_100000126638_100138425928 [0,2,0,0,0,0|2,0,0]=4 9730 B12R0.2 CCCCC(C)NC(=O)NC(C)C 2708a_100138425928_100000126638 [0,2,0,0,0,0|2,0,0]=4 9731 B12R0.2 CCCCC(C)NC(=O)NC(C)C 273464a_100138425928_100000126638 [0,2,0,0,0,0|2,0,0]=4 9732 B12R0.2 CCCCC(C)NC(=O)NC(C)C 512a_100000126638_100138425928 [0,2,0,0,0,0|2,0,0]=4 9733 B12R0.2 CCCCC(C)NC(=O)NC(C)C 512a_100138425928_100000126638 [0,2,0,0,0,0|2,0,0]=4 9734 B12R0.2 CCCCC(C)OC(C)CC(C)C 34a_100000211805_200011215066 [0,2,0,0,0,0|1,0,1]=4 9735 B12R0.2 CCCCC(C)OC(C)CC(C)C 34a_100000687866_100000731052 [0,2,0,0,0,0|1,0,1]=4 9736 B12R0.2 CCCCC(C)OC(C)CC(C)C 7a_100000211805_200011215066 [0,2,0,0,0,0|1,0,1]=4 9737 B12R0.2 CCCCC(C)OC(C)CC(C)C 7a_100000687866_100000731052 [0,2,0,0,0,0|1,0,1]=4 9738 B12R0.2 CCCCN(C)CC(=O)NC(C)C 2230a_100000168146_100000210211 [0,2,0,0,0,0|2,0,0]=4 9739 B12R0.2 CCCCN(C)CC(=O)NC(C)C 2230a_100000207549_100000183996 [0,2,0,0,0,0|2,0,0]=4 9740 B12R0.2 CCCCN(C)CC(=O)NC(C)C 269982a_100000168146_100000210211 [0,2,0,0,0,0|2,0,0]=4 9741 B12R0.2 CCCCN(C)CC(=O)NC(C)C 269982a_100000207549_100000183996 [0,2,0,0,0,0|2,0,0]=4 9742 B12R0.2 CCCCN(C)CC(=O)OC(C)C 2230a_100000207549_100011215430 [0,2,0,0,0,0|2,0,0]=4 9743 B12R0.2 CCCCN(C)CC(=O)OC(C)C 269982a_100000207549_100011215430 [0,2,0,0,0,0|2,0,0]=4 9744 B12R0.2 CCCNC(=O)CC(=O)CC(C)C 1458a_100000210554_100000183358 [0,2,0,0,0,0|1,0,1]=4 9745 B12R0.2 CCCOC(=O)CC(=O)CC(C)C 1458a_100000210554_200011215008 [0,2,0,0,0,0|1,0,1]=4 9746 B12R0.2 CCCSC(C)OC(=O)OC(C)C 62a_100000067433_100000210303 [0,2,0,0,0,0|1,0,0]=3 9747 B12R0.2 CCCSC(C)OC(=O)OC(C)C 62a_100000210303_100000067433 [0,2,0,0,0,0|1,0,0]=3 9748 B12R0.2 CCOCC(C)OC(C)CC(C)C 34a_100000718985_100000731052 [0,2,0,0,0,0|1,0,1]=4 9749 B12R0.2 CCOCC(C)OC(C)CC(C)C 7a_100000718985_100000731052 [0,2,0,0,0,0|1,0,1]=4 9750 B12R0.2 COCSC(C)OC(=O)OC(C)C 62a_100000067433_100000766300 [0,2,0,0,0,0|2,0,0]=4 9751 B12R0.2 COCSC(C)OC(=O)OC(C)C 62a_100000766300_100000067433 [0,2,0,0,0,0|2,0,0]=4 9752 B12R0.2 CSCSC(C)OC(=O)OC(C)C 62a_100000067433_100011218213 [0,2,0,0,0,0|2,0,0]=4 9753 B12R0.2 CSCSC(C)OC(=O)OC(C)C 62a_100011218213_100000067433 [0,2,0,0,0,0|2,0,0]=4 9754 B12R0.3 CC(C)CC(=O)NC(C)CC(C)C 11a_100000692259_100000210554 [0,2,0,0,0,0|1,0,0]=3 9755 B12R0.3 CC(C)CC(=O)NC(C)CC(C)C 1626a_100000692259_100000210554 [0,2,0,0,0,0|1,0,0]=3 9756 B12R0.3 CC(C)CC(=O)NC(C)CC(C)C 240690a_100000692259_100000210554 [0,2,0,0,0,0|1,0,0]=3 9757 B12R0.3 CC(C)CC(=O)NC(C)CC(C)C 527a_100000692259_100000210554 [0,2,0,0,0,0|1,0,0]=3 9758 B12R0.3 CC(C)CC(=O)NC(C)CN(C)C 11a_100016992788_100000210554 [0,2,0,0,0,0|2,0,0]=4 9759 B12R0.3 CC(C)CC(=O)NC(C)CN(C)C 240690a_100016992788_100000210554 [0,2,0,0,0,0|2,0,0]=4 9760 B12R0.3 CC(C)CC(=O)NC(C)CN(C)C 527a_100016992788_100000210554 [0,2,0,0,0,0|2,0,0]=4 9761 B12R0.3 CC(C)CC(C)NC(=O)CN(C)C 11a_100000692259_100000750896 [0,2,0,0,0,0|2,0,0]=4 9762 B12R0.3 CC(C)CC(C)NC(=O)CN(C)C 240690a_100000692259_100000750896 [0,2,0,0,0,0|2,0,0]=4 9763 B12R0.3 CC(C)CC(C)NC(=O)CN(C)C 527a_100000692259_100000750896 [0,2,0,0,0,0|2,0,0]=4 9764 B12R0.3 CC(C)CC(C)NC(=O)C[C@@H](C)O 240690a_100000692259_100011933948 [0,2,0,0,0,0|2,0,0]=4 9765 B12R0.3 CC(C)CC(C)NC(=O)C[S+](C)C 11a_100000692259_200159257847 [0,2,0,0,0,0|2,0,0]=4 9766 B12R0.3 CC(C)CC(C)NC(=O)C[S+](C)C 1626a_100000692259_200159257847 [0,2,0,0,0,0|2,0,0]=4 9767 B12R0.3 CC(C)CC(C)NC(=O)C[S+](C)C 240690a_100000692259_200159257847 [0,2,0,0,0,0|2,0,0]=4 9768 B12R0.3 CC(C)CC(C)NC(=O)C[S+](C)C 527a_100000692259_200159257847 [0,2,0,0,0,0|2,0,0]=4 9769 B12R0.3 CC(C)CC(C)NC(=O)NC(C)C 2708a_100000692259_100138425928 [0,2,0,0,0,0|2,0,0]=4 9770 B12R0.3 CC(C)CC(C)NC(=O)NC(C)C 2708a_100138425928_100000692259 [0,2,0,0,0,0|2,0,0]=4 9771 B12R0.3 CC(C)CC(C)NC(=O)NC(C)C 512a_100000692259_100138425928 [0,2,0,0,0,0|2,0,0]=4 9772 B12R0.3 CC(C)CC(C)NC(=O)NC(C)C 512a_100138425928_100000692259 [0,2,0,0,0,0|2,0,0]=4 9773 B12R0.3 CC(C)CC(C)OC(C)CC(C)C 34a_100000211805_100000731052 [0,2,0,0,0,0|1,0,1]=4 9774 B12R0.3 CC(C)CC(C)OC(C)CC(C)C 7a_100000211805_100000731052 [0,2,0,0,0,0|1,0,1]=4 9775 B12R0.3 CC(C)OC(=O)OC(C)SC(C)C 62a_100000067433_100000210206 [0,2,0,0,0,0|2,0,0]=4 9776 B12R0.3 CC(C)OC(=O)OC(C)SC(C)C 62a_100000210206_100000067433 [0,2,0,0,0,0|2,0,0]=4 9777 B12R0.18 C#CC(CC(C)C)OC(C)CCC 34a_100011215986_100000766640 [0,2,0,0,0,0|1,0,1]=4 9778 B12R0.18 C#CC(CC(C)C)OC(C)CCC 7a_100011215986_100000766640 [0,2,0,0,0,0|1,0,1]=4 9779 B12R0.18 C=CC(CC(C)C)OC(C)CCC 34a_100012186643_100000766640 [0,2,0,0,0,0|1,0,1]=4 9780 B12R0.18 C=CC(CC(C)C)OC(C)CCC 7a_100012186643_100000766640 [0,2,0,0,0,0|1,0,1]=4 9781 B12R0.18 CCCC(C)OC(C#N)CC(C)C 34a_200011294978_100000766640 [0,2,0,0,0,0|1,0,1]=4 9782 B12R0.18 CCCC(C)OC(C#N)CC(C)C 7a_200011294978_100000766640 [0,2,0,0,0,0|1,0,1]=4 9783 B12R0.20 CC(C)C(C)C(=O)N[C@H](C)CCO 240690a_100000706166_100000755409 [0,2,0,0,0,0|2,0,0]=4 9784 B12R0.20 CC(C)C(C)C(=O)N[C@H](C)CCO 527a_100000706166_100000755409 [0,2,0,0,0,0|2,0,0]=4 9785 B12R0.20 CC(C)[C@@H](O)C(=O)N[C@H](C)CCO 240690a_100000706166_100000691806 [0,2,0,0,0,0|2,0,0]=4 9786 B12R0.20 CCCC(=O)CC(=O)C(C)C(C)C 1458a_100000755409_100000747444 [0,2,0,0,0,0|1,0,1]=4 9787 B12R0.20 CCCC(=O)CC(=O)[C@H](O)C(C)C 1458a_100000691806_100000747444 [0,2,0,0,0,0|1,0,1]=4 9788 B12R0.20 CCCC(C)CC(=O)C(C)C(C)C 1458a_100000755409_100011216630 [0,2,0,0,0,0|1,0,0]=3 9789 B12R0.20 CCCC(C)CC(=O)N(C)C(C)C 11a_200000211004_100000748435 [0,2,0,0,0,0|2,0,0]=4 9790 B12R0.20 CCCC(C)CC(=O)N(C)C(C)C 1626a_200000211004_100000748435 [0,2,0,0,0,0|2,0,0]=4 9791 B12R0.20 CCCC(C)CC(=O)N(C)C(C)C 240690a_200000211004_100000748435 [0,2,0,0,0,0|2,0,0]=4 9792 B12R0.20 CCCC(C)CC(=O)N(C)C(C)C 527a_200000211004_100000748435 [0,2,0,0,0,0|2,0,0]=4 9793 B12R0.20 CCCC(C)CC(=O)[C@H](C)N(C)C 1458a_100009822176_100011216630 [0,2,0,0,0,0|2,0,0]=4 9794 B12R0.20 CCCC(C)CC(=O)[C@H](O)C(C)C 1458a_100000691806_100011216630 [0,2,0,0,0,0|1,0,0]=3 9795 B12R0.20 CCCC(C)NC(=O)C(C)C(C)C 11a_100000741246_100000755409 [0,2,0,0,0,0|1,0,0]=3 9796 B12R0.20 CCCC(C)NC(=O)C(C)C(C)C 1626a_100000741246_100000755409 [0,2,0,0,0,0|1,0,0]=3 9797 B12R0.20 CCCC(C)NC(=O)C(C)C(C)C 240690a_100000741246_100000755409 [0,2,0,0,0,0|1,0,0]=3 9798 B12R0.20 CCCC(C)NC(=O)C(C)C(C)C 527a_100000741246_100000755409 [0,2,0,0,0,0|1,0,0]=3 9799 B12R0.20 CCCC(C)NC(=O)C(C)N(C)C 2230a_100102631434_100000735934 [0,2,0,0,0,0|2,0,0]=4 9800 B12R0.20 CCCC(C)NC(=O)C(C)N(C)C 269982a_100102631434_100000735934 [0,2,0,0,0,0|2,0,0]=4 9801 B12R0.20 CCCC(C)NC(=O)N(C)C(C)C 2708a_100000741246_200000211004 [0,2,0,0,0,0|2,0,0]=4 9802 B12R0.20 CCCC(C)NC(=O)N(C)C(C)C 273464a_100000741246_200000211004 [0,2,0,0,0,0|2,0,0]=4 9803 B12R0.20 CCCC(C)NC(=O)[C@H](C)N(C)C 240690a_100000741246_100009822176 [0,2,0,0,0,0|2,0,0]=4 9804 B12R0.20 CCCC(C)NC(=O)[C@H](C)N(C)C 527a_100000741246_100009822176 [0,2,0,0,0,0|2,0,0]=4 9805 B12R0.20 CCCC(C)NC(=O)[C@H](O)C(C)C 240690a_100000741246_100000691806 [0,2,0,0,0,0|1,0,0]=3 9806 B12R0.20 COC[C@@H](C)NC(=O)C(C)C(C)C 11a_100000764878_100000755409 [0,2,0,0,0,0|2,0,0]=4 9807 B12R0.20 COC[C@@H](C)NC(=O)C(C)C(C)C 1626a_100000764878_100000755409 [0,2,0,0,0,0|2,0,0]=4 9808 B12R0.20 COC[C@@H](C)NC(=O)C(C)C(C)C 240690a_100000764878_100000755409 [0,2,0,0,0,0|2,0,0]=4 9809 B12R0.20 COC[C@@H](C)NC(=O)C(C)C(C)C 527a_100000764878_100000755409 [0,2,0,0,0,0|2,0,0]=4 9810 B12R0.20 COC[C@@H](C)NC(=O)[C@H](O)C(C)C 240690a_100000764878_100000691806 [0,2,0,0,0,0|2,0,0]=4 9811 B12R0.68 C=C(CCC)CC(=O)CC(C)CC 1458a_100000138376_100000748023 [0,2,0,0,0,0|1,0,1]=4 9812 B12R0.68 C=C(CCC)CC(=O)C[C@@H](C)CC 1458a_100000138376_100009816398 [0,2,0,0,0,0|1,0,1]=4 9813 B12R0.68 C=C(CCC)CC(=O)C[C@@H](C)CO 1458a_100000138376_100000059175 [0,2,0,0,0,0|1,0,1]=4 9814 B12R0.68 C=CC(C)CC(=O)CC(C)CCC 1458a_100011934298_100011216630 [0,2,0,0,0,0|1,0,1]=4 9815 B12R0.68 C=CC(C)CC(=O)NC(C)CCC 11a_100000741246_100011934298 [0,2,0,0,0,0|1,0,1]=4 9816 B12R0.68 C=CC(C)CC(=O)NC(C)CCC 1626a_100000741246_100011934298 [0,2,0,0,0,0|1,0,1]=4 9817 B12R0.68 C=CC(C)CC(=O)NC(C)CCC 240690a_100000741246_100011934298 [0,2,0,0,0,0|1,0,1]=4 9818 B12R0.68 C=CC(C)CC(=O)NC(C)CCC 527a_100000741246_100011934298 [0,2,0,0,0,0|1,0,1]=4 9819 B12R0.68 CCC(C)CC(=O)N[C@H](C)CCO 240690a_100000706166_100000708755 [0,2,0,0,0,0|2,0,0]=4 9820 B12R0.68 CCC(C)CC(=O)N[C@H](C)CCO 527a_100000706166_100000708755 [0,2,0,0,0,0|2,0,0]=4 9821 B12R0.68 CCC(C)CC(=O)N[C@H](C)COC 11a_100000764878_100000708755 [0,2,0,0,0,0|2,0,0]=4 9822 B12R0.68 CCC(C)CC(=O)N[C@H](C)COC 1626a_100000764878_100000708755 [0,2,0,0,0,0|2,0,0]=4 9823 B12R0.68 CCC(C)CC(=O)N[C@H](C)COC 240690a_100000764878_100000708755 [0,2,0,0,0,0|2,0,0]=4 9824 B12R0.68 CCC(C)CC(=O)N[C@H](C)COC 527a_100000764878_100000708755 [0,2,0,0,0,0|2,0,0]=4 9825 B12R0.68 CCCC(=CC(=O)CC(C)CC)C 1458a_100020676950_100000748023 [0,2,0,0,0,0|1,0,1]=4 9826 B12R0.68 CCCC(=CC(=O)C[C@@H](C)CC)C 1458a_100020676950_100009816398 [0,2,0,0,0,0|1,0,1]=4 9827 B12R0.68 CCCC(=CC(=O)C[C@@H](C)CO)C 1458a_100020676950_100000059175 [0,2,0,0,0,0|1,0,1]=4 9828 B12R0.68 CCCC(=O)CC(=O)CC(C)CC 1458a_100000708755_100000747444 [0,2,0,0,0,0|1,0,1]=4 9829 B12R0.68 CCCC(C)CC(=O)CC(C)CC 1458a_100000708755_100011216630 [0,2,0,0,0,0|1,0,0]=3 9830 B12R0.68 CCCC(C)CC(=O)CC(C)CC 1458a_100000748435_100000748023 [0,2,0,0,0,0|1,0,0]=3 9831 B12R0.68 CCCC(C)CC(=O)CC(O)CC 1458a_100000748435_100011218378 [0,2,0,0,0,0|2,0,0]=4 9832 B12R0.68 CCCC(C)CC(=O)CC(O)CC 1458a_100011667805_100011216630 [0,2,0,0,0,0|2,0,0]=4 9833 B12R0.68 CCCC(C)CC(=O)CN(C)CC 1458a_100116209913_100011216630 [0,2,0,0,0,0|2,0,0]=4 9834 B12R0.68 CCCC(C)CC(=O)C[C@@H](C)CC 1458a_100000748435_100009816398 [0,2,0,0,0,0|1,0,0]=3 9835 B12R0.68 CCCC(C)CC(=O)C[C@@H](C)CO 1458a_100000748435_100000059175 [0,2,0,0,0,0|1,0,0]=3 9836 B12R0.68 CCCC(C)CC(=O)NC(C)CC 11a_100000209981_100000748435 [0,2,0,0,0,0|2,0,0]=4 9837 B12R0.68 CCCC(C)CC(=O)NC(C)CC 1626a_100000209981_100000748435 [0,2,0,0,0,0|2,0,0]=4 9838 B12R0.68 CCCC(C)CC(=O)NC(C)CC 240690a_100000209981_100000748435 [0,2,0,0,0,0|2,0,0]=4 9839 B12R0.68 CCCC(C)CC(=O)NC(C)CC 527a_100000209981_100000748435 [0,2,0,0,0,0|2,0,0]=4 9840 B12R0.68 CCCC(C)CC(=O)N[C@H](C)CF 11a_100102880703_100000748435 [0,2,0,0,0,0|2,0,0]=4 9841 B12R0.68 CCCC(C)CC(=O)N[C@H](C)CF 1626a_100102880703_100000748435 [0,2,0,0,0,0|2,0,0]=4 9842 B12R0.68 CCCC(C)CC(=O)N[C@H](C)CF 240690a_100102880703_100000748435 [0,2,0,0,0,0|2,0,0]=4 9843 B12R0.68 CCCC(C)CC(=O)N[C@H](C)CF 527a_100102880703_100000748435 [0,2,0,0,0,0|2,0,0]=4 9844 B12R0.68 CCCC(C)CC(=O)N[C@H](C)CO 240690a_100000737577_100000748435 [0,2,0,0,0,0|2,0,0]=4 9845 B12R0.68 CCCC(C)CC(=O)N[C@H](C)CO 527a_100000737577_100000748435 [0,2,0,0,0,0|2,0,0]=4 9846 B12R0.68 CCCC(C)NC(=O)CC(C)CC 11a_100000741246_100000708755 [0,2,0,0,0,0|1,0,0]=3 9847 B12R0.68 CCCC(C)NC(=O)CC(C)CC 1626a_100000741246_100000708755 [0,2,0,0,0,0|1,0,0]=3 9848 B12R0.68 CCCC(C)NC(=O)CC(C)CC 240690a_100000741246_100000708755 [0,2,0,0,0,0|1,0,0]=3 9849 B12R0.68 CCCC(C)NC(=O)CC(C)CC 527a_100000741246_100000708755 [0,2,0,0,0,0|1,0,0]=3 9850 B12R0.68 CCCC(C)NC(=O)CC(O)CC 1626a_100000741246_100011667805 [0,2,0,0,0,0|2,0,0]=4 9851 B12R0.68 CCCC(C)NC(=O)CC(O)CC 240690a_100000741246_100011667805 [0,2,0,0,0,0|2,0,0]=4 9852 B12R0.68 CCCC(C)NC(=O)CN(C)CC 240690a_100000741246_100116209913 [0,2,0,0,0,0|2,0,0]=4 9853 B12R0.68 CCCC(C)NC(=O)CN(C)CC 527a_100000741246_100116209913 [0,2,0,0,0,0|2,0,0]=4 9854 B12R0.68 CCCC(C)NC(=O)NC(C)CC 2708a_100000209981_100000741246 [0,2,0,0,0,0|2,0,0]=4 9855 B12R0.68 CCCC(C)NC(=O)NC(C)CC 2708a_100000741246_100000209981 [0,2,0,0,0,0|2,0,0]=4 9856 B12R0.68 CCCC(C)NC(=O)NC(C)CC 273464a_100000741246_100000209981 [0,2,0,0,0,0|2,0,0]=4 9857 B12R0.68 CCCC(C)NC(=O)NC(C)CC 512a_100000209981_100000741246 [0,2,0,0,0,0|2,0,0]=4 9858 B12R0.68 CCCC(C)NC(=O)NC(C)CC 512a_100000741246_100000209981 [0,2,0,0,0,0|2,0,0]=4 9859 B12R0.68 CCCC(C)NC(=O)N[C@H](C)CF 2708a_100000741246_100102880703 [0,2,0,0,0,0|2,0,0]=4 9860 B12R0.68 CCCC(C)NC(=O)N[C@H](C)CF 273464a_100000741246_100102880703 [0,2,0,0,0,0|2,0,0]=4 9861 B12R0.68 CCCC(C)NC(=O)N[C@H](C)CF 512a_100000741246_100102880703 [0,2,0,0,0,0|2,0,0]=4 9862 B12R0.68 CCCC(C)NC(=O)N[C@H](C)CF 512a_100102880703_100000741246 [0,2,0,0,0,0|2,0,0]=4 9863 B12R0.68 CCCC(C)NC(=O)N[C@H](C)CO 2708a_100000741246_100000737577 [0,2,0,0,0,0|2,0,0]=4 9864 B12R0.68 CCCC(C)NC(=O)N[C@H](C)CO 512a_100000737577_100000741246 [0,2,0,0,0,0|2,0,0]=4 9865 B12R0.68 CCCC(C)NC(=O)N[C@H](C)CO 512a_100000741246_100000737577 [0,2,0,0,0,0|2,0,0]=4 9866 B12R0.68 CCCS(=O)CC(=O)CC(C)CC 1458a_100011387404_100000748023 [0,2,0,0,0,0|2,0,0]=4 9867 B12R0.68 CCCS(=O)CC(=O)C[C@@H](C)CC 1458a_100011387404_100009816398 [0,2,0,0,0,0|2,0,0]=4 9868 B12R0.68 CCCS(=O)CC(=O)C[C@@H](C)CO 1458a_100011387404_100000059175 [0,2,0,0,0,0|2,0,0]=4 9869 B12R0.68 CCSC(C)CC(=O)CC(C)CC 1458a_200011311441_100000748023 [0,2,0,0,0,0|2,0,0]=4 9870 B12R0.68 CCSC(C)CC(=O)C[C@@H](C)CC 1458a_200011311441_100009816398 [0,2,0,0,0,0|2,0,0]=4 9871 B12R0.68 CCSC(C)CC(=O)C[C@@H](C)CO 1458a_200011311441_100000059175 [0,2,0,0,0,0|2,0,0]=4 9872 B12R0.78 CCCC(=O)CC(=O)CC(C)(C)C 1458a_100000211214_100000747444 [0,2,0,0,0,0|1,0,1]=4 9873 B12R0.78 CCCC(=O)CC(=O)CC(C)(C)O 1458a_100000693243_100000747444 [0,2,0,0,0,0|1,0,1]=4 9874 B12R0.78 CCCC(C)CC(=O)CC(C)(C)C 1458a_100000211214_100011216630 [0,2,0,0,0,0|1,0,0]=3 9875 B12R0.78 CCCC(C)CC(=O)CC(C)(C)O 1458a_100000693243_100011216630 [0,2,0,0,0,0|1,0,0]=3 9876 B12R0.78 CCCC(C)CC(=O)C[N+](C)(C)C 1458a_100000033712_100011216630 [0,2,0,0,0,0|2,0,0]=4 9877 B12R0.78 CCCC(C)CC(=O)C[Si](C)(C)C 1458a_100000748435_100000233785 [0,2,0,0,0,0|1,1,0]=4 9878 B12R0.78 CCCC(C)CC(=O)C[Si](C)(C)C 1458a_100011218504_100011216630 [0,2,0,0,0,0|1,1,0]=4 9879 B12R0.78 CCCC(C)CC(=O)NC(C)(C)C 11a_100000715429_100000748435 [0,2,0,0,0,0|2,0,0]=4 9880 B12R0.78 CCCC(C)CC(=O)NC(C)(C)C 1626a_100000715429_100000748435 [0,2,0,0,0,0|2,0,0]=4 9881 B12R0.78 CCCC(C)CC(=O)NC(C)(C)C 240690a_100000715429_100000748435 [0,2,0,0,0,0|2,0,0]=4 9882 B12R0.78 CCCC(C)CC(=O)NC(C)(C)C 527a_100000715429_100000748435 [0,2,0,0,0,0|2,0,0]=4 9883 B12R0.78 CCCC(C)NC(=O)CC(C)(C)C 11a_100000741246_100000211214 [0,2,0,0,0,0|1,0,0]=3 9884 B12R0.78 CCCC(C)NC(=O)CC(C)(C)C 1626a_100000741246_100000211214 [0,2,0,0,0,0|1,0,0]=3 9885 B12R0.78 CCCC(C)NC(=O)CC(C)(C)C 240690a_100000741246_100000211214 [0,2,0,0,0,0|1,0,0]=3 9886 B12R0.78 CCCC(C)NC(=O)CC(C)(C)C 527a_100000741246_100000211214 [0,2,0,0,0,0|1,0,0]=3 9887 B12R0.78 CCCC(C)NC(=O)CC(C)(C)O 527a_100000741246_100000693243 [0,2,0,0,0,0|1,0,0]=3 9888 B12R0.78 CCCC(C)NC(=O)C[N+](C)(C)C 11a_100000741246_100000033712 [0,2,0,0,0,0|2,0,0]=4 9889 B12R0.78 CCCC(C)NC(=O)C[N+](C)(C)C 1626a_100000741246_100000033712 [0,2,0,0,0,0|2,0,0]=4 9890 B12R0.78 CCCC(C)NC(=O)C[N+](C)(C)C 240690a_100000741246_100000033712 [0,2,0,0,0,0|2,0,0]=4 9891 B12R0.78 CCCC(C)NC(=O)C[N+](C)(C)C 527a_100000741246_100000033712 [0,2,0,0,0,0|2,0,0]=4 9892 B12R0.78 CCCC(C)NC(=O)C[Si](C)(C)C 11a_100000741246_100011218504 [0,2,0,0,0,0|1,1,0]=4 9893 B12R0.78 CCCC(C)NC(=O)C[Si](C)(C)C 1626a_100000741246_100011218504 [0,2,0,0,0,0|1,1,0]=4 9894 B12R0.78 CCCC(C)NC(=O)NC(C)(C)C 2708a_100000741246_100000715429 [0,2,0,0,0,0|2,0,0]=4 9895 B12R0.78 CCCC(C)NC(=O)NC(C)(C)C 273464a_100000741246_100000715429 [0,2,0,0,0,0|2,0,0]=4 9896 B12R0.78 CCCC(C)NC(=O)NC(C)(C)C 512a_100000715429_100000741246 [0,2,0,0,0,0|2,0,0]=4 9897 B12R0.78 CCCC(C)OC(C)CC(C)(C)C 7a_200011218616_100000766640 [0,2,0,0,0,0|1,0,1]=4 9898 B12R0.78 COC[C@@H](C)NC(=O)CC(C)(C)C 11a_100000764878_100000211214 [0,2,0,0,0,0|2,0,0]=4 9899 B12R0.78 COC[C@@H](C)NC(=O)CC(C)(C)C 1626a_100000764878_100000211214 [0,2,0,0,0,0|2,0,0]=4 9900 B12R0.78 COC[C@@H](C)NC(=O)CC(C)(C)C 240690a_100000764878_100000211214 [0,2,0,0,0,0|2,0,0]=4 9901 B12R0.78 COC[C@@H](C)NC(=O)CC(C)(C)C 527a_100000764878_100000211214 [0,2,0,0,0,0|2,0,0]=4 9902 B12R0.78 COC[C@@H](C)NC(=O)CC(C)(C)O 527a_100000764878_100000693243 [0,2,0,0,0,0|2,0,0]=4 9903 B12R0.78 C[C@H](CCO)NC(=O)CC(C)(C)C 240690a_100000706166_100000211214 [0,2,0,0,0,0|2,0,0]=4 9904 B12R0.78 C[C@H](CCO)NC(=O)CC(C)(C)C 527a_100000706166_100000211214 [0,2,0,0,0,0|2,0,0]=4 9905 B12R0.78 C[C@H](CCO)NC(=O)CC(C)(C)O 527a_100000706166_100000693243 [0,2,0,0,0,0|2,0,0]=4 9906 B12R0.191 CC(C)CC(=O)N(C)C(C)CCO 240690a_100000731037_100000210554 [0,2,0,0,0,0|2,0,0]=4 9907 B12R0.191 CC(C)CC(=O)N(C)C(C)CCO 527a_100000731037_100000210554 [0,2,0,0,0,0|2,0,0]=4 9908 B12R0.191 CCCC(C)C(=O)C(=O)NC(C)C 1458a_100011220036_100000766640 [0,2,0,0,0,0|2,0,0]=4 9909 B12R0.297 C#CC(CCC)OC(C)CC(C)C 34a_200011217317_100000731052 [0,2,0,0,0,0|1,0,1]=4 9910 B12R0.297 C#CC(CCC)OC(C)CC(C)C 7a_200011217317_100000731052 [0,2,0,0,0,0|1,0,1]=4 9911 B12R0.297 C=CC(CCC)OC(C)CC(C)C 34a_100011216692_100000731052 [0,2,0,0,0,0|1,0,1]=4 9912 B12R0.297 C=CC(CCC)OC(C)CC(C)C 7a_100011216692_100000731052 [0,2,0,0,0,0|1,0,1]=4 9913 B12R0.297 CCC(COC)NC(=O)CC(C)C 11a_100000757820_100000210554 [0,2,0,0,0,0|2,0,0]=4 9914 B12R0.297 CCC(COC)NC(=O)CC(C)C 1626a_100000757820_100000210554 [0,2,0,0,0,0|2,0,0]=4 9915 B12R0.297 CCC(COC)NC(=O)CC(C)C 240690a_100000757820_100000210554 [0,2,0,0,0,0|2,0,0]=4 9916 B12R0.297 CCC(COC)NC(=O)CC(C)C 527a_100000757820_100000210554 [0,2,0,0,0,0|2,0,0]=4 9917 B12R0.297 CCCC(C#N)OC(C)CC(C)C 34a_100000686963_100000731052 [0,2,0,0,0,0|1,0,1]=4 9918 B12R0.297 CCCC(C#N)OC(C)CC(C)C 7a_100000686963_100000731052 [0,2,0,0,0,0|1,0,1]=4 9919 B12R0.297 CCCC(CC)NC(=O)CC(C)C 11a_100000747048_100000210554 [0,2,0,0,0,0|1,0,0]=3 9920 B12R0.297 CCCC(CC)NC(=O)CC(C)C 1626a_100000747048_100000210554 [0,2,0,0,0,0|1,0,0]=3 9921 B12R0.297 CCCC(CC)NC(=O)CC(C)C 240690a_100000747048_100000210554 [0,2,0,0,0,0|1,0,0]=3 9922 B12R0.297 CCCC(CC)NC(=O)CC(C)C 527a_100000747048_100000210554 [0,2,0,0,0,0|1,0,0]=3 9923 B12R0.297 CCCC(CC)NC(=O)CN(C)C 11a_100000747048_100000750896 [0,2,0,0,0,0|2,0,0]=4 9924 B12R0.297 CCCC(CC)NC(=O)CN(C)C 240690a_100000747048_100000750896 [0,2,0,0,0,0|2,0,0]=4 9925 B12R0.297 CCCC(CC)NC(=O)CN(C)C 527a_100000747048_100000750896 [0,2,0,0,0,0|2,0,0]=4 9926 B12R0.297 CCCC(CC)NC(=O)C[C@@H](C)O 240690a_100000747048_100011933948 [0,2,0,0,0,0|2,0,0]=4 9927 B12R0.297 CCCC(CC)NC(=O)C[S+](C)C 11a_100000747048_200159257847 [0,2,0,0,0,0|2,0,0]=4 9928 B12R0.297 CCCC(CC)NC(=O)C[S+](C)C 1626a_100000747048_200159257847 [0,2,0,0,0,0|2,0,0]=4 9929 B12R0.297 CCCC(CC)NC(=O)C[S+](C)C 240690a_100000747048_200159257847 [0,2,0,0,0,0|2,0,0]=4 9930 B12R0.297 CCCC(CC)NC(=O)C[S+](C)C 527a_100000747048_200159257847 [0,2,0,0,0,0|2,0,0]=4 9931 B12R0.297 CCCC(CC)NC(=O)NC(C)C 2708a_100000747048_100138425928 [0,2,0,0,0,0|2,0,0]=4 9932 B12R0.297 CCCC(CC)NC(=O)NC(C)C 2708a_100138425928_100000747048 [0,2,0,0,0,0|2,0,0]=4 9933 B12R0.297 CCCC(CC)NC(=O)NC(C)C 273464a_100138425928_100000747048 [0,2,0,0,0,0|2,0,0]=4 9934 B12R0.297 CCCC(CC)NC(=O)NC(C)C 512a_100000747048_100138425928 [0,2,0,0,0,0|2,0,0]=4 9935 B12R0.297 CCCC(CC)NC(=O)NC(C)C 512a_100138425928_100000747048 [0,2,0,0,0,0|2,0,0]=4 9936 B12R0.297 CCCC(CC)OC(C)CC(C)C 34a_100000687864_100000731052 [0,2,0,0,0,0|1,0,1]=4 9937 B12R0.297 CCCC(CC)OC(C)CC(C)C 7a_100000211805_100011219200 [0,2,0,0,0,0|1,0,1]=4 9938 B12R0.297 CCCC(CC)OC(C)CC(C)C 7a_100000687864_100000731052 [0,2,0,0,0,0|1,0,1]=4 9939 B12R0.297 CCC[C@@H](CO)NC(=O)CC(C)C 240690a_100000732646_100000210554 [0,2,0,0,0,0|1,0,0]=3 9940 B12R0.297 CCC[C@@H](CO)NC(=O)CC(C)C 527a_100000732646_100000210554 [0,2,0,0,0,0|1,0,0]=3 9941 B12R0.297 CCC[C@@H](CO)NC(=O)CN(C)C 240690a_100000732646_100000750896 [0,2,0,0,0,0|2,0,0]=4 9942 B12R0.297 CCC[C@@H](CO)NC(=O)CN(C)C 527a_100000732646_100000750896 [0,2,0,0,0,0|2,0,0]=4 9943 B12R0.297 CCC[C@@H](CO)NC(=O)C[C@@H](C)O 240690a_100000732646_100011933948 [0,2,0,0,0,0|2,0,0]=4 9944 B12R0.297 CCC[C@@H](CO)NC(=O)C[S+](C)C 240690a_100000732646_200159257847 [0,2,0,0,0,0|2,0,0]=4 9945 B12R0.297 CCC[C@@H](CO)NC(=O)C[S+](C)C 527a_100000732646_200159257847 [0,2,0,0,0,0|2,0,0]=4 9946 B12R0.297 CCC[C@@H](CO)NC(=O)NC(C)C 2708a_100138425928_100000732646 [0,2,0,0,0,0|2,0,0]=4 9947 B12R0.297 CCC[C@@H](CO)NC(=O)NC(C)C 273464a_100138425928_100000732646 [0,2,0,0,0,0|2,0,0]=4 9948 B12R0.297 CCC[C@@H](CO)NC(=O)NC(C)C 512a_100000732646_100138425928 [0,2,0,0,0,0|2,0,0]=4 9949 B12R0.297 CCC[C@@H](CO)NC(=O)NC(C)C 512a_100138425928_100000732646 [0,2,0,0,0,0|2,0,0]=4 9950 B12R0.297 COCC(CO)NC(=O)CC(C)C 240690a_100000724102_100000210554 [0,2,0,0,0,0|2,0,0]=4 9951 B12R0.297 COCC(CO)NC(=O)CC(C)C 527a_100000724102_100000210554 [0,2,0,0,0,0|2,0,0]=4 9952 B12R0.428 CC(C)CC(=O)NC(C)(C)CCO 240690a_100000763138_100000210554 [0,2,0,0,0,0|2,0,0]=4 9953 B12R0.428 CC(C)CC(=O)NC(C)(C)CCO 527a_100000763138_100000210554 [0,2,0,0,0,0|2,0,0]=4 9954 B12R0.428 CCCC(C)(C)OC(C)CC(C)C 7a_100000748436_100000731052 [0,2,0,0,0,0|1,0,1]=4 9955 B12R0.428 CCCC(C)(O)CC(=O)CC(C)C 1458a_100011667670_100000210624 [0,2,0,0,0,0|1,0,0]=3 9956 B12R0.428 CCCC(C)(O)CC(=O)CC(C)O 1458a_100011667670_100011218427 [0,2,0,0,0,0|2,0,0]=4 9957 B12R0.428 CCCC(C)(O)CC(=O)NC(C)C 240690a_100138425928_100011667670 [0,2,0,0,0,0|2,0,0]=4 9958 B12R0.428 CCCC(C)(O)CC(=O)NC(C)C 527a_100138425928_100011667670 [0,2,0,0,0,0|2,0,0]=4 9959 B12R0.428 CCCS(=O)(=O)NC(=O)CC(C)C 2740a_100000171175_100000210554 [0,2,0,0,0,0|2,0,0]=4 9960 B12R0.428 COCC(C)(C)NC(=O)CC(C)C 11a_100000752728_100000210554 [0,2,0,0,0,0|2,0,0]=4 9961 B12R0.428 COCC(C)(C)NC(=O)CC(C)C 1626a_100000752728_100000210554 [0,2,0,0,0,0|2,0,0]=4 9962 B12R0.428 COCC(C)(C)NC(=O)CC(C)C 240690a_100000752728_100000210554 [0,2,0,0,0,0|2,0,0]=4 9963 B12R0.428 COCC(C)(C)NC(=O)CC(C)C 527a_100000752728_100000210554 [0,2,0,0,0,0|2,0,0]=4 9964 B12R0.428 CSCC(C)(C)NC(=O)CC(C)C 11a_100000759623_100000210554 [0,2,0,0,0,0|2,0,0]=4 9965 B12R0.428 CSCC(C)(C)NC(=O)CC(C)C 1626a_100000759623_100000210554 [0,2,0,0,0,0|2,0,0]=4 9966 B12R0.428 CSCC(C)(C)NC(=O)CC(C)C 240690a_100000759623_100000210554 [0,2,0,0,0,0|2,0,0]=4 9967 B12R0.428 CSCC(C)(C)NC(=O)CC(C)C 527a_100000759623_100000210554 [0,2,0,0,0,0|2,0,0]=4 9968 B12R0.563 CCC(=O)C(C)OC(=O)OC(C)C 1458a_100000210414_100000067433 [0,2,0,0,0,0|1,0,1]=4 9969 B12R0.563 CCC(C)C(C)OC(C)CC(C)C 7a_100011215189_100000731052 [0,2,0,0,0,0|1,0,1]=4 9970 B12R0.563 CCN(C)C(C)CC(=O)CC(C)C 1458a_200015187196_100000210624 [0,2,0,0,0,0|2,0,0]=4 9971 B12R0.563 CCN(C)C(C)OC(=O)OC(C)C 269982a_100000225621_100000067433 [0,2,0,0,0,0|2,0,0]=4 9972 B12R0.744 CCCC(C)NS(=O)(=O)CC(C)C 270084a_100000741246_100000748289 [0,2,0,0,0,0|2,0,0]=4 9973 B12R0.744 CCCC(C)NS(=O)(=O)CC(C)C 274078a_100000741246_100000748289 [0,2,0,0,0,0|2,0,0]=4 9974 B12R0.4 C#CCCCCCC(=O)CC(C)C 1458a_100000210554_100012094781 [0,2,0,0,0,0|1,0,0]=3 9975 B12R0.4 C#CCCCCCC(=O)CC(C)C 1458a_100000694772_100000210624 [0,2,0,0,0,0|1,0,0]=3 9976 B12R0.4 C#CCCCCCC(=O)CC(C)O 1458a_100000694772_100011218427 [0,2,0,0,0,0|2,0,0]=4 9977 B12R0.4 C#CCCCCCC(=O)CN(C)C 1458a_100000750896_100012094781 [0,2,0,0,0,0|2,0,0]=4 9978 B12R0.4 C#CCCCCCC(=O)C[C@@H](C)O 1458a_100011933948_100012094781 [0,2,0,0,0,0|2,0,0]=4 9979 B12R0.4 C#CCCCCCC(=O)C[S+](C)C 1458a_200159257847_100012094781 [0,2,0,0,0,0|2,0,0]=4 9980 B12R0.4 C#CCCCCCC(=O)NC(C)C 11a_100138425928_100000694772 [0,2,0,0,0,0|2,0,0]=4 9981 B12R0.4 C#CCCCCCC(=O)NC(C)C 1626a_100138425928_100000694772 [0,2,0,0,0,0|2,0,0]=4 9982 B12R0.4 C#CCCCCCC(=O)NC(C)C 240690a_100138425928_100000694772 [0,2,0,0,0,0|2,0,0]=4 9983 B12R0.4 C#CCCCCCC(=O)NC(C)C 527a_100138425928_100000694772 [0,2,0,0,0,0|2,0,0]=4 9984 B12R0.4 C#CCCCCNC(=O)CC(C)C 11a_100000706060_100000210554 [0,2,0,0,0,0|1,0,0]=3 9985 B12R0.4 C#CCCCCNC(=O)CC(C)C 1626a_100000706060_100000210554 [0,2,0,0,0,0|1,0,0]=3 9986 B12R0.4 C#CCCCCNC(=O)CC(C)C 240690a_100000706060_100000210554 [0,2,0,0,0,0|1,0,0]=3 9987 B12R0.4 C#CCCCCNC(=O)CC(C)C 527a_100000706060_100000210554 [0,2,0,0,0,0|1,0,0]=3 9988 B12R0.4 C#CCCCCNC(=O)CN(C)C 11a_100000706060_100000750896 [0,2,0,0,0,0|2,0,0]=4 9989 B12R0.4 C#CCCCCNC(=O)CN(C)C 240690a_100000706060_100000750896 [0,2,0,0,0,0|2,0,0]=4 9990 B12R0.4 C#CCCCCNC(=O)CN(C)C 527a_100000706060_100000750896 [0,2,0,0,0,0|2,0,0]=4 9991 B12R0.4 C#CCCCCNC(=O)C[C@@H](C)O 240690a_100000706060_100011933948 [0,2,0,0,0,0|2,0,0]=4 9992 B12R0.4 C#CCCCCNC(=O)C[S+](C)C 11a_100000706060_200159257847 [0,2,0,0,0,0|2,0,0]=4 9993 B12R0.4 C#CCCCCNC(=O)C[S+](C)C 1626a_100000706060_200159257847 [0,2,0,0,0,0|2,0,0]=4 9994 B12R0.4 C#CCCCCNC(=O)C[S+](C)C 240690a_100000706060_200159257847 [0,2,0,0,0,0|2,0,0]=4 9995 B12R0.4 C#CCCCCNC(=O)C[S+](C)C 527a_100000706060_200159257847 [0,2,0,0,0,0|2,0,0]=4 9996 B12R0.4 C#CCCCCNC(=O)NC(C)C 2708a_100000706060_100138425928 [0,2,0,0,0,0|2,0,0]=4 9997 B12R0.4 C#CCCCCNC(=O)NC(C)C 2708a_100138425928_100000706060 [0,2,0,0,0,0|2,0,0]=4 9998 B12R0.4 C#CCCCCNC(=O)NC(C)C 273464a_100138425928_100000706060 [0,2,0,0,0,0|2,0,0]=4 9999 B12R0.4 C#CCCCCNC(=O)NC(C)C 512a_100000706060_100138425928 [0,2,0,0,0,0|2,0,0]=4 10000 B12R0.4 C#CCCCCNC(=O)NC(C)C 512a_100138425928_100000706060 [0,2,0,0,0,0|2,0,0]=4 10001 B12R0.4 C#CCCCCOC(C)CC(C)C 34a_100000211805_100010269958 [0,2,0,0,0,0|1,0,1]=4 10002 B12R0.4 C#CCCCCOC(C)CC(C)C 34a_100000766709_100000731052 [0,2,0,0,0,0|1,0,1]=4 10003 B12R0.4 C#CCCCCOC(C)CC(C)C 7a_100000211805_100010269958 [0,2,0,0,0,0|1,0,1]=4 10004 B12R0.4 C#CCCCCOC(C)CC(C)C 7a_100000766709_100000731052 [0,2,0,0,0,0|1,0,1]=4 10005 B12R0.4 C#CCCCOCC(=O)NC(C)C 34a_100000215630_100000183996 [0,2,0,0,0,0|1,0,1]=4 10006 B12R0.4 C#CCCCOCC(=O)NC(C)C 7a_100000215630_100000183996 [0,2,0,0,0,0|1,0,1]=4 10007 B12R0.4 C#CCCCOCC(=O)OC(C)C 34a_100000215630_100011215430 [0,2,0,0,0,0|1,0,1]=4 10008 B12R0.4 C#CCCCOCC(=O)OC(C)C 7a_100000215630_100011215430 [0,2,0,0,0,0|1,0,1]=4 10009 B12R0.4 C#CCCSCOC(=O)OC(C)C 62a_100000003507_100000688953 [0,2,0,0,0,0|1,0,1]=4 10010 B12R0.4 C#CCCSCOC(=O)OC(C)C 62a_100000688953_100000003507 [0,2,0,0,0,0|1,0,1]=4 10011 B12R0.4 C#CCOCCNC(=O)CC(C)C 11a_100000700922_100000210554 [0,2,0,0,0,0|1,0,1]=4 10012 B12R0.4 C#CCOCCNC(=O)CC(C)C 1626a_100000700922_100000210554 [0,2,0,0,0,0|1,0,1]=4 10013 B12R0.4 C#CCOCCNC(=O)CC(C)C 240690a_100000700922_100000210554 [0,2,0,0,0,0|1,0,1]=4 10014 B12R0.4 C#CCOCCNC(=O)CC(C)C 527a_100000700922_100000210554 [0,2,0,0,0,0|1,0,1]=4 10015 B12R0.4 C/C=C/CCOCC(=O)NC(C)C 34a_100016278192_100000183996 [0,2,0,0,0,0|1,0,1]=4 10016 B12R0.4 C/C=C/CCOCC(=O)OC(C)C 34a_100016278192_100011215430 [0,2,0,0,0,0|1,0,1]=4 10017 B12R0.4 C/C=C/CSCOC(=O)OC(C)C 62a_100000003507_100102629194 [0,2,0,0,0,0|1,0,1]=4 10018 B12R0.4 C/C=C/CSCOC(=O)OC(C)C 62a_100102629194_100000003507 [0,2,0,0,0,0|1,0,1]=4 10019 B12R0.4 C=CCCCCCC(=O)CC(C)C 1458a_100000210554_100000700193 [0,2,0,0,0,0|1,0,0]=3 10020 B12R0.4 C=CCCCCCC(=O)CC(C)C 1458a_100011934241_100000210624 [0,2,0,0,0,0|1,0,0]=3 10021 B12R0.4 C=CCCCCCC(=O)CC(C)O 1458a_100011934241_100011218427 [0,2,0,0,0,0|2,0,0]=4 10022 B12R0.4 C=CCCCCCC(=O)CN(C)C 1458a_100000750896_100000700193 [0,2,0,0,0,0|2,0,0]=4 10023 B12R0.4 C=CCCCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000700193 [0,2,0,0,0,0|2,0,0]=4 10024 B12R0.4 C=CCCCCCC(=O)C[S+](C)C 1458a_200159257847_100000700193 [0,2,0,0,0,0|2,0,0]=4 10025 B12R0.4 C=CCCCCCC(=O)NC(C)C 11a_100138425928_100011934241 [0,2,0,0,0,0|2,0,0]=4 10026 B12R0.4 C=CCCCCCC(=O)NC(C)C 1626a_100138425928_100011934241 [0,2,0,0,0,0|2,0,0]=4 10027 B12R0.4 C=CCCCCCC(=O)NC(C)C 240690a_100138425928_100011934241 [0,2,0,0,0,0|2,0,0]=4 10028 B12R0.4 C=CCCCCCC(=O)NC(C)C 527a_100138425928_100011934241 [0,2,0,0,0,0|2,0,0]=4 10029 B12R0.4 C=CCCCCNC(=O)CC(C)C 11a_100000703577_100000210554 [0,2,0,0,0,0|1,0,0]=3 10030 B12R0.4 C=CCCCCNC(=O)CC(C)C 1626a_100000703577_100000210554 [0,2,0,0,0,0|1,0,0]=3 10031 B12R0.4 C=CCCCCNC(=O)CC(C)C 240690a_100000703577_100000210554 [0,2,0,0,0,0|1,0,0]=3 10032 B12R0.4 C=CCCCCNC(=O)CC(C)C 527a_100000703577_100000210554 [0,2,0,0,0,0|1,0,0]=3 10033 B12R0.4 C=CCCCCNC(=O)CN(C)C 11a_100000703577_100000750896 [0,2,0,0,0,0|2,0,0]=4 10034 B12R0.4 C=CCCCCNC(=O)CN(C)C 240690a_100000703577_100000750896 [0,2,0,0,0,0|2,0,0]=4 10035 B12R0.4 C=CCCCCNC(=O)CN(C)C 527a_100000703577_100000750896 [0,2,0,0,0,0|2,0,0]=4 10036 B12R0.4 C=CCCCCNC(=O)C[C@@H](C)O 240690a_100000703577_100011933948 [0,2,0,0,0,0|2,0,0]=4 10037 B12R0.4 C=CCCCCNC(=O)C[S+](C)C 11a_100000703577_200159257847 [0,2,0,0,0,0|2,0,0]=4 10038 B12R0.4 C=CCCCCNC(=O)C[S+](C)C 1626a_100000703577_200159257847 [0,2,0,0,0,0|2,0,0]=4 10039 B12R0.4 C=CCCCCNC(=O)C[S+](C)C 240690a_100000703577_200159257847 [0,2,0,0,0,0|2,0,0]=4 10040 B12R0.4 C=CCCCCNC(=O)C[S+](C)C 527a_100000703577_200159257847 [0,2,0,0,0,0|2,0,0]=4 10041 B12R0.4 C=CCCCCNC(=O)NC(C)C 2708a_100000703577_100138425928 [0,2,0,0,0,0|2,0,0]=4 10042 B12R0.4 C=CCCCCNC(=O)NC(C)C 2708a_100138425928_100000703577 [0,2,0,0,0,0|2,0,0]=4 10043 B12R0.4 C=CCCCCNC(=O)NC(C)C 273464a_100138425928_100000703577 [0,2,0,0,0,0|2,0,0]=4 10044 B12R0.4 C=CCCCCNC(=O)NC(C)C 512a_100000703577_100138425928 [0,2,0,0,0,0|2,0,0]=4 10045 B12R0.4 C=CCCCCNC(=O)NC(C)C 512a_100138425928_100000703577 [0,2,0,0,0,0|2,0,0]=4 10046 B12R0.4 C=CCCCCOC(C)CC(C)C 34a_100000211805_100011215482 [0,2,0,0,0,0|1,0,1]=4 10047 B12R0.4 C=CCCCCOC(C)CC(C)C 34a_100000766645_100000731052 [0,2,0,0,0,0|1,0,1]=4 10048 B12R0.4 C=CCCCCOC(C)CC(C)C 7a_100000211805_100011215482 [0,2,0,0,0,0|1,0,1]=4 10049 B12R0.4 C=CCCCCOC(C)CC(C)C 7a_100000766645_100000731052 [0,2,0,0,0,0|1,0,1]=4 10050 B12R0.4 C=CCCCOCC(=O)NC(C)C 34a_100000758997_100000183996 [0,2,0,0,0,0|1,0,1]=4 10051 B12R0.4 C=CCCCOCC(=O)NC(C)C 7a_100000758997_100000183996 [0,2,0,0,0,0|1,0,1]=4 10052 B12R0.4 C=CCCCOCC(=O)OC(C)C 34a_100000758997_100011215430 [0,2,0,0,0,0|1,0,1]=4 10053 B12R0.4 C=CCCCOCC(=O)OC(C)C 7a_100000758997_100011215430 [0,2,0,0,0,0|1,0,1]=4 10054 B12R0.4 C=CCCSCOC(=O)OC(C)C 62a_100000003507_100000754431 [0,2,0,0,0,0|1,0,1]=4 10055 B12R0.4 C=CCCSCOC(=O)OC(C)C 62a_100000754431_100000003507 [0,2,0,0,0,0|1,0,1]=4 10056 B12R0.4 C=COCCCNC(=O)CC(C)C 11a_100000210767_100000210554 [0,2,0,0,0,0|1,0,1]=4 10057 B12R0.4 C=COCCCNC(=O)CC(C)C 1626a_100000210767_100000210554 [0,2,0,0,0,0|1,0,1]=4 10058 B12R0.4 C=COCCCNC(=O)CC(C)C 240690a_100000210767_100000210554 [0,2,0,0,0,0|1,0,1]=4 10059 B12R0.4 C=COCCCNC(=O)CC(C)C 527a_100000210767_100000210554 [0,2,0,0,0,0|1,0,1]=4 10060 B12R0.4 CC#CCCOCC(=O)NC(C)C 34a_100000750427_100000183996 [0,2,0,0,0,0|1,0,1]=4 10061 B12R0.4 CC#CCCOCC(=O)OC(C)C 34a_100000750427_100011215430 [0,2,0,0,0,0|1,0,1]=4 10062 B12R0.4 CC#CCSCOC(=O)OC(C)C 62a_100000003507_100000748600 [0,2,0,0,0,0|1,0,1]=4 10063 B12R0.4 CC#CCSCOC(=O)OC(C)C 62a_100000748600_100000003507 [0,2,0,0,0,0|1,0,1]=4 10064 B12R0.4 CC(=O)CC(=O)OCCNCCF 34a_100000724931_100000102702 [0,2,0,0,0,0|1,0,1]=4 10065 B12R0.4 CC(=O)CC(=O)OCCNCCO 34a_100016990907_100000102702 [0,2,0,0,0,0|1,0,1]=4 10066 B12R0.4 CC(=O)CC(=O)OCCOCCBr 34a_100000211926_100000102702 [0,2,0,0,0,0|1,0,1]=4 10067 B12R0.4 CC(=O)CC(=O)OCCOCCN 34a_100000210304_100000102702 [0,2,0,0,0,0|1,0,1]=4 10068 B12R0.4 CC(=O)CC(=O)OCCSCCF 62a_100000102702_100011217306 [0,2,0,0,0,0|1,0,1]=4 10069 B12R0.4 CC(=O)CC(=O)OCCSCCF 62a_100011217306_100000102702 [0,2,0,0,0,0|1,0,1]=4 10070 B12R0.4 CC(=O)CC(=O)OCCSCCO 62a_100000102702_100000211926 [0,2,0,0,0,0|1,0,1]=4 10071 B12R0.4 CC(=O)CC(=O)OCCSCCO 62a_100000211926_100000102702 [0,2,0,0,0,0|1,0,1]=4 10072 B12R0.4 CC(C)CC(=O)CCCCCC#N 1458a_100000210554_100009813376 [0,2,0,0,0,0|1,0,0]=3 10073 B12R0.4 CC(C)CC(=O)CCCCCCF 1458a_100000210554_100015922095 [0,2,0,0,0,0|1,0,0]=3 10074 B12R0.4 CC(C)CC(=O)CCCCCCO 1458a_100000210554_100000766143 [0,2,0,0,0,0|1,0,0]=3 10075 B12R0.4 CC(C)CC(=O)CCCCCCO 1458a_100011996774_100000210624 [0,2,0,0,0,0|1,0,0]=3 10076 B12R0.4 CC(C)CC(=O)CCCCN=[N+]=[N-] 1458a_100000070148_100000210624 [0,2,0,0,0,0|2,0,0]=4 10077 B12R0.4 CC(C)CC(=O)NCCCCC#N 11a_100000751965_100000210554 [0,2,0,0,0,0|1,0,0]=3 10078 B12R0.4 CC(C)CC(=O)NCCCCC#N 1626a_100000751965_100000210554 [0,2,0,0,0,0|1,0,0]=3 10079 B12R0.4 CC(C)CC(=O)NCCCCC#N 240690a_100000751965_100000210554 [0,2,0,0,0,0|1,0,0]=3 10080 B12R0.4 CC(C)CC(=O)NCCCCC#N 527a_100000751965_100000210554 [0,2,0,0,0,0|1,0,0]=3 10081 B12R0.4 CC(C)CC(=O)NCCCCCO 240690a_100000762737_100000210554 [0,2,0,0,0,0|1,0,0]=3 10082 B12R0.4 CC(C)CC(=O)NCCCN=[N+]=[N-] 240690a_100000744732_100000210554 [0,2,0,0,0,0|2,0,0]=4 10083 B12R0.4 CC(C)CC(=O)NCCOCCO 240690a_100000211614_100000210554 [0,2,0,0,0,0|1,0,0]=3 10084 B12R0.4 CC(C)CC(=O)NCCSCCO 240690a_100011219999_100000210554 [0,2,0,0,0,0|1,0,0]=3 10085 B12R0.4 CC(C)CC(=O)NCCSCCO 527a_100011219999_100000210554 [0,2,0,0,0,0|1,0,0]=3 10086 B12R0.4 CC(C)CC(C)OCCCCC#N 7a_100000211805_100000211819 [0,2,0,0,0,0|1,0,1]=4 10087 B12R0.4 CC(C)CC(C)OCCCCC=O 7a_100000211805_100000139335 [0,2,0,0,0,0|1,0,1]=4 10088 B12R0.4 CC(C)CC(C)OCCCCCBr 34a_100000746331_100000731052 [0,2,0,0,0,0|1,0,1]=4 10089 B12R0.4 CC(C)CC(C)OCCCCCBr 7a_100000746331_100000731052 [0,2,0,0,0,0|1,0,1]=4 10090 B12R0.4 CC(C)CC(C)OCCCCCCl 34a_100000746330_100000731052 [0,2,0,0,0,0|1,0,1]=4 10091 B12R0.4 CC(C)CC(C)OCCCCCCl 7a_100000746330_100000731052 [0,2,0,0,0,0|1,0,1]=4 10092 B12R0.4 CC(C)CC(C)OCCCCCF 34a_100000211805_100000729378 [0,2,0,0,0,0|1,0,1]=4 10093 B12R0.4 CC(C)CC(C)OCCCCCF 7a_100000211805_100000729378 [0,2,0,0,0,0|1,0,1]=4 10094 B12R0.4 CC(C)CC(C)OCCCCCI 34a_200012148887_100000731052 [0,2,0,0,0,0|1,0,1]=4 10095 B12R0.4 CC(C)CC(C)OCCCCCI 7a_200012148887_100000731052 [0,2,0,0,0,0|1,0,1]=4 10096 B12R0.4 CC(C)CC(C)OCCCCCN 34a_100000762737_100000731052 [0,2,0,0,0,0|1,0,1]=4 10097 B12R0.4 CC(C)CC(C)OCCCCCO 34a_100000211805_100000746330 [0,2,0,0,0,0|1,0,1]=4 10098 B12R0.4 CC(C)CC(C)OCCCCCO 7a_100000211805_100000746330 [0,2,0,0,0,0|1,0,1]=4 10099 B12R0.4 CC(C)CC(C)OCCOCCBr 34a_100000692535_100000731052 [0,2,0,0,0,0|1,0,1]=4 10100 B12R0.4 CC(C)CC(C)OCCOCCBr 7a_100000692535_100000731052 [0,2,0,0,0,0|1,0,1]=4 10101 B12R0.4 CC(C)CC(C)OCCOCCCl 34a_100011215305_100000731052 [0,2,0,0,0,0|1,0,1]=4 10102 B12R0.4 CC(C)CC(C)OCCOCCCl 7a_100011215305_100000731052 [0,2,0,0,0,0|1,0,1]=4 10103 B12R0.4 CC(C)CC(C)OCCOCCF 34a_200015357709_100000731052 [0,2,0,0,0,0|1,0,1]=4 10104 B12R0.4 CC(C)CC(C)OCCOCCF 7a_200015357709_100000731052 [0,2,0,0,0,0|1,0,1]=4 10105 B12R0.4 CC(C)CC(C)OCCOCCI 34a_100012149058_100000731052 [0,2,0,0,0,0|1,0,1]=4 10106 B12R0.4 CC(C)CC(C)OCCOCCI 7a_100012149058_100000731052 [0,2,0,0,0,0|1,0,1]=4 10107 B12R0.4 CC(C)CC(C)OCCOCCN 34a_100000211614_100000731052 [0,2,0,0,0,0|1,0,1]=4 10108 B12R0.4 CC(C)CC(C)OCCOCCO 34a_100000211805_100000692535 [0,2,0,0,0,0|1,0,1]=4 10109 B12R0.4 CC(C)CC(C)OCCOCCO 7a_100000211805_100011215305 [0,2,0,0,0,0|1,0,1]=4 10110 B12R0.4 CC(C)C[C@H](N)COCCCCF 34a_100011830311_100000729493 [0,2,0,0,0,0|1,0,1]=4 10111 B12R0.4 CC(C)C[C@H](N)COCCCCO 34a_100011830311_100011216708 [0,2,0,0,0,0|1,0,1]=4 10112 B12R0.4 CC(C)NC(=O)CCCCCCO 240690a_100138425928_100011996774 [0,2,0,0,0,0|2,0,0]=4 10113 B12R0.4 CC(C)NC(=O)CCNCCCF 2230a_100015189416_100000737564 [0,2,0,0,0,0|2,0,0]=4 10114 B12R0.4 CC(C)NC(=O)CCSCCCF 62a_100000737564_100011934791 [0,2,0,0,0,0|2,0,0]=4 10115 B12R0.4 CC(C)NC(=O)CCSCCCF 62a_100011934791_100000737564 [0,2,0,0,0,0|2,0,0]=4 10116 B12R0.4 CC(C)NC(=O)CCSCCCO 62a_100000737564_100011215043 [0,2,0,0,0,0|2,0,0]=4 10117 B12R0.4 CC(C)NC(=O)CCSCCCO 62a_100011215043_100000737564 [0,2,0,0,0,0|2,0,0]=4 10118 B12R0.4 CC(C)NC(=O)CNCCCCF 2230a_100000168517_100000729493 [0,2,0,0,0,0|2,0,0]=4 10119 B12R0.4 CC(C)NC(=O)CNCCCCO 2230a_100000168517_100000210776 [0,2,0,0,0,0|2,0,0]=4 10120 B12R0.4 CC(C)NC(=O)CNCCCCO 2230a_100000750430_100000183996 [0,2,0,0,0,0|2,0,0]=4 10121 B12R0.4 CC(C)NC(=O)CNCCCCO 34a_100000750430_100000183996 [0,2,0,0,0,0|2,0,0]=4 10122 B12R0.4 CC(C)NC(=O)COCCCCBr 34a_100011216708_100000183996 [0,2,0,0,0,0|1,0,0]=3 10123 B12R0.4 CC(C)NC(=O)COCCCCCl 34a_100000210776_100000183996 [0,2,0,0,0,0|1,0,0]=3 10124 B12R0.4 CC(C)NC(=O)COCCCCCl 7a_100000210776_100000183996 [0,2,0,0,0,0|1,0,0]=3 10125 B12R0.4 CC(C)NC(=O)COCCCCF 34a_100011995726_100000183996 [0,2,0,0,0,0|1,0,0]=3 10126 B12R0.4 CC(C)NC(=O)COCCCCF 7a_100011995726_100000183996 [0,2,0,0,0,0|1,0,0]=3 10127 B12R0.4 CC(C)NC(=O)COCCCCI 34a_200012148704_100000183996 [0,2,0,0,0,0|1,0,0]=3 10128 B12R0.4 CC(C)NC(=O)COCCCCN 34a_100000750430_100000183996 [0,2,0,0,0,0|1,0,0]=3 10129 B12R0.4 CC(C)NC(=O)CSCCCCF 62a_100000183996_100000729493 [0,2,0,0,0,0|1,1,0]=4 10130 B12R0.4 CC(C)NC(=O)CSCCCCF 62a_100000729493_100000183996 [0,2,0,0,0,0|1,1,0]=4 10131 B12R0.4 CC(C)NC(=O)CSCCCCO 62a_100000183996_100000210776 [0,2,0,0,0,0|1,1,0]=4 10132 B12R0.4 CC(C)NC(=O)CSCCCCO 62a_100000210776_100000183996 [0,2,0,0,0,0|1,1,0]=4 10133 B12R0.4 CC(C)NC(=O)NCCCCC#N 2708a_100000751965_100138425928 [0,2,0,0,0,0|2,0,0]=4 10134 B12R0.4 CC(C)NC(=O)NCCCCC#N 2708a_100138425928_100000751965 [0,2,0,0,0,0|2,0,0]=4 10135 B12R0.4 CC(C)NC(=O)NCCCCC#N 273464a_100138425928_100000751965 [0,2,0,0,0,0|2,0,0]=4 10136 B12R0.4 CC(C)NC(=O)NCCCCC#N 512a_100000751965_100138425928 [0,2,0,0,0,0|2,0,0]=4 10137 B12R0.4 CC(C)NC(=O)NCCCCC#N 512a_100138425928_100000751965 [0,2,0,0,0,0|2,0,0]=4 10138 B12R0.4 CC(C)NC(=O)NCCCCCO 2708a_100138425928_100000762737 [0,2,0,0,0,0|2,0,0]=4 10139 B12R0.4 CC(C)NC(=O)NCCCCCO 273464a_100138425928_100000762737 [0,2,0,0,0,0|2,0,0]=4 10140 B12R0.4 CC(C)NC(=O)NCCCCCO 512a_100000762737_100138425928 [0,2,0,0,0,0|2,0,0]=4 10141 B12R0.4 CC(C)NC(=O)NCCCCCO 512a_100138425928_100000762737 [0,2,0,0,0,0|2,0,0]=4 10142 B12R0.4 CC(C)NC(=O)NCCOCCO 2708a_100138425928_100000211614 [0,2,0,0,0,0|2,0,0]=4 10143 B12R0.4 CC(C)NC(=O)NCCOCCO 273464a_100138425928_100000211614 [0,2,0,0,0,0|2,0,0]=4 10144 B12R0.4 CC(C)NC(=O)NCCOCCO 512a_100000211614_100138425928 [0,2,0,0,0,0|2,0,0]=4 10145 B12R0.4 CC(C)NC(=O)NCCSCCO 2708a_100138425928_100011219999 [0,2,0,0,0,0|2,0,0]=4 10146 B12R0.4 CC(C)NC(=O)NCCSCCO 273464a_100138425928_100011219999 [0,2,0,0,0,0|2,0,0]=4 10147 B12R0.4 CC(C)NC(=O)NCCSCCO 512a_100011219999_100138425928 [0,2,0,0,0,0|2,0,0]=4 10148 B12R0.4 CC(C)NC(=O)NCCSCCO 512a_100138425928_100011219999 [0,2,0,0,0,0|2,0,0]=4 10149 B12R0.4 CC(C)OC(=O)CCCCCS[13CH3] 62a_200010986244_200025704644 [0,2,0,0,0,0|2,0,0]=4 10150 B12R0.4 CC(C)OC(=O)CCCCCS[13CH3] 62a_200025704644_200010986244 [0,2,0,0,0,0|2,0,0]=4 10151 B12R0.4 CC(C)OC(=O)CCNCCCF 2230a_100015189416_100000760027 [0,2,0,0,0,0|2,0,0]=4 10152 B12R0.4 CC(C)OC(=O)CCSCCCF 62a_100000760027_100011934791 [0,2,0,0,0,0|2,0,0]=4 10153 B12R0.4 CC(C)OC(=O)CCSCCCF 62a_100011934791_100000760027 [0,2,0,0,0,0|2,0,0]=4 10154 B12R0.4 CC(C)OC(=O)CCSCCCO 62a_100000760027_100011215043 [0,2,0,0,0,0|2,0,0]=4 10155 B12R0.4 CC(C)OC(=O)CCSCCCO 62a_100011215043_100000760027 [0,2,0,0,0,0|2,0,0]=4 10156 B12R0.4 CC(C)OC(=O)CNCCCCO 2230a_100000750430_100011215430 [0,2,0,0,0,0|2,0,0]=4 10157 B12R0.4 CC(C)OC(=O)CNCCCCO 34a_100000750430_100011215430 [0,2,0,0,0,0|2,0,0]=4 10158 B12R0.4 CC(C)OC(=O)COCCCCBr 34a_100011216708_100011215430 [0,2,0,0,0,0|1,0,0]=3 10159 B12R0.4 CC(C)OC(=O)COCCCCCl 34a_100000210776_100011215430 [0,2,0,0,0,0|1,0,0]=3 10160 B12R0.4 CC(C)OC(=O)COCCCCCl 7a_100000210776_100011215430 [0,2,0,0,0,0|1,0,0]=3 10161 B12R0.4 CC(C)OC(=O)COCCCCF 34a_100011995726_100011215430 [0,2,0,0,0,0|1,0,0]=3 10162 B12R0.4 CC(C)OC(=O)COCCCCF 7a_100011995726_100011215430 [0,2,0,0,0,0|1,0,0]=3 10163 B12R0.4 CC(C)OC(=O)COCCCCI 34a_200012148704_100011215430 [0,2,0,0,0,0|1,0,0]=3 10164 B12R0.4 CC(C)OC(=O)COCCCCN 34a_100000750430_100011215430 [0,2,0,0,0,0|1,0,0]=3 10165 B12R0.4 CC(C)OC(=O)CSCCCCF 62a_100000729493_100011215430 [0,2,0,0,0,0|1,1,0]=4 10166 B12R0.4 CC(C)OC(=O)CSCCCCF 62a_100011215430_100000729493 [0,2,0,0,0,0|1,1,0]=4 10167 B12R0.4 CC(C)OC(=O)CSCCCCO 62a_100000210776_100011215430 [0,2,0,0,0,0|1,1,0]=4 10168 B12R0.4 CC(C)OC(=O)CSCCCCO 62a_100011215430_100000210776 [0,2,0,0,0,0|1,1,0]=4 10169 B12R0.4 CC(C)OC(=O)OCSCCC#N 62a_100000003507_100011215226 [0,2,0,0,0,0|1,0,1]=4 10170 B12R0.4 CC(C)OC(=O)OCSCCC#N 62a_100011215226_100000003507 [0,2,0,0,0,0|1,0,1]=4 10171 B12R0.4 CC(C)OC(=O)OCSCCCF 62a_100000003507_100011934791 [0,2,0,0,0,0|1,0,0]=3 10172 B12R0.4 CC(C)OC(=O)OCSCCCF 62a_100011934791_100000003507 [0,2,0,0,0,0|1,0,0]=3 10173 B12R0.4 CC(C)OC(=O)OCSCCCO 62a_100000003507_100011215043 [0,2,0,0,0,0|1,0,0]=3 10174 B12R0.4 CC(C)OC(=O)OCSCCCO 62a_100011215043_100000003507 [0,2,0,0,0,0|1,0,0]=3 10175 B12R0.4 CC(O)CC(=O)CCCCCCO 1458a_100011996774_100011218427 [0,2,0,0,0,0|2,0,0]=4 10176 B12R0.4 CC/C=C\CCOC(C)CC(C)C 34a_100000211805_100015370543 [0,2,0,0,0,0|1,0,1]=4 10177 B12R0.4 CC/C=C\CCOC(C)CC(C)C 34a_100016288707_100000731052 [0,2,0,0,0,0|1,0,1]=4 10178 B12R0.4 CC/C=C\CCOC(C)CC(C)C 7a_100000211805_100015370543 [0,2,0,0,0,0|1,0,1]=4 10179 B12R0.4 CC/C=C\CCOC(C)CC(C)C 7a_100016288707_100000731052 [0,2,0,0,0,0|1,0,1]=4 10180 B12R0.4 CC/C=C\COCC(=O)NC(C)C 34a_100016268518_100000183996 [0,2,0,0,0,0|1,0,1]=4 10181 B12R0.4 CC/C=C\COCC(=O)OC(C)C 34a_100016268518_100011215430 [0,2,0,0,0,0|1,0,1]=4 10182 B12R0.4 CC=CCCCOC(C)CC(C)C 34a_100020645299_100000731052 [0,2,0,0,0,0|1,0,1]=4 10183 B12R0.4 CC=CCSCOC(=O)OC(C)C 62a_100000003507_100000070051 [0,2,0,0,0,0|1,0,1]=4 10184 B12R0.4 CC=CCSCOC(=O)OC(C)C 62a_100000070051_100000003507 [0,2,0,0,0,0|1,0,1]=4 10185 B12R0.4 CCC#CCCOC(C)CC(C)C 34a_100000036655_100000731052 [0,2,0,0,0,0|1,0,1]=4 10186 B12R0.4 CCC#CCCOC(C)CC(C)C 7a_100000036655_100000731052 [0,2,0,0,0,0|1,0,1]=4 10187 B12R0.4 CCC#CCOCC(=O)NC(C)C 34a_100000032950_100000183996 [0,2,0,0,0,0|1,0,1]=4 10188 B12R0.4 CCC#CCOCC(=O)OC(C)C 34a_100000032950_100011215430 [0,2,0,0,0,0|1,0,1]=4 10189 B12R0.4 CCC/C=C/C=CC(=O)CC(C)C 1458a_200016258893_100000210624 [0,2,0,0,0,0|1,0,1]=4 10190 B12R0.4 CCC/C=C/COC(C)CC(C)C 34a_100016278788_100000731052 [0,2,0,0,0,0|1,0,1]=4 10191 B12R0.4 CCC/C=C/COC(C)CC(C)C 7a_100016278788_100000731052 [0,2,0,0,0,0|1,0,1]=4 10192 B12R0.4 CCCC#CCOC(C)CC(C)C 34a_100000034806_100000731052 [0,2,0,0,0,0|1,0,1]=4 10193 B12R0.4 CCCC#CCOC(C)CC(C)C 7a_100000034806_100000731052 [0,2,0,0,0,0|1,0,1]=4 10194 B12R0.4 CCCC/C=C/CC(=O)CC(C)C 1458a_200016282684_100000210624 [0,2,0,0,0,0|1,0,0]=3 10195 B12R0.4 CCCC/C=C/CC(=O)CC(C)O 1458a_200016282684_100011218427 [0,2,0,0,0,0|2,0,0]=4 10196 B12R0.4 CCCC/C=C/CC(=O)NC(C)C 11a_100138425928_200016282684 [0,2,0,0,0,0|2,0,0]=4 10197 B12R0.4 CCCC/C=C/CC(=O)NC(C)C 1626a_100138425928_200016282684 [0,2,0,0,0,0|2,0,0]=4 10198 B12R0.4 CCCC/C=C/CC(=O)NC(C)C 240690a_100138425928_200016282684 [0,2,0,0,0,0|2,0,0]=4 10199 B12R0.4 CCCC/C=C/CC(=O)NC(C)C 527a_100138425928_200016282684 [0,2,0,0,0,0|2,0,0]=4 10200 B12R0.4 CCCCC=NNC(=O)CC(C)C 4a_100000189787_100000210104 [0,2,0,0,0,0|1,0,0]=3 10201 B12R0.4 CCCCC=NNC(=O)CN(C)C 4a_100000750941_100000210104 [0,2,0,0,0,0|2,0,0]=4 10202 B12R0.4 CCCCCC#CC(=O)CC(C)C 1458a_100011215388_100000210624 [0,2,0,0,0,0|1,0,0]=3 10203 B12R0.4 CCCCCC#CC(=O)CC(C)O 1458a_100011215388_100011218427 [0,2,0,0,0,0|2,0,0]=4 10204 B12R0.4 CCCCCC#CC(=O)NC(C)C 240690a_100138425928_100011215388 [0,2,0,0,0,0|2,0,0]=4 10205 B12R0.4 CCCCCC=CC(=O)CC(C)C 1458a_100016263427_100000210624 [0,2,0,0,0,0|1,0,0]=3 10206 B12R0.4 CCCCCC=CC(=O)CC(C)O 1458a_100016263427_100011218427 [0,2,0,0,0,0|2,0,0]=4 10207 B12R0.4 CCCCCC=CC(=O)NC(C)C 11a_100138425928_100016263427 [0,2,0,0,0,0|2,0,0]=4 10208 B12R0.4 CCCCCC=CC(=O)NC(C)C 1626a_100138425928_100016263427 [0,2,0,0,0,0|2,0,0]=4 10209 B12R0.4 CCCCCC=CC(=O)NC(C)C 240690a_100138425928_100016263427 [0,2,0,0,0,0|2,0,0]=4 10210 B12R0.4 CCCCCCCC(=O)CC(C)C 1458a_100000210554_100000210614 [0,2,0,0,0,0|1,0,0]=3 10211 B12R0.4 CCCCCCCC(=O)CC(C)C 1458a_100000211969_100000210624 [0,2,0,0,0,0|1,0,0]=3 10212 B12R0.4 CCCCCCCC(=O)CC(C)O 1458a_100000211969_100011218427 [0,2,0,0,0,0|2,0,0]=4 10213 B12R0.4 CCCCCCCC(=O)CN(C)C 1458a_100000750896_100000210614 [0,2,0,0,0,0|2,0,0]=4 10214 B12R0.4 CCCCCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000210614 [0,2,0,0,0,0|2,0,0]=4 10215 B12R0.4 CCCCCCCC(=O)C[S+](C)C 1458a_200159257847_100000210614 [0,2,0,0,0,0|2,0,0]=4 10216 B12R0.4 CCCCCCCC(=O)NC(C)C 11a_100138425928_100000211969 [0,2,0,0,0,0|2,0,0]=4 10217 B12R0.4 CCCCCCCC(=O)NC(C)C 1626a_100138425928_100000211969 [0,2,0,0,0,0|2,0,0]=4 10218 B12R0.4 CCCCCCCC(=O)NC(C)C 240690a_100138425928_100000211969 [0,2,0,0,0,0|2,0,0]=4 10219 B12R0.4 CCCCCCCC(=O)NC(C)C 527a_100138425928_100000211969 [0,2,0,0,0,0|2,0,0]=4 10220 B12R0.4 CCCCCCNC(=O)CC(C)C 11a_100000210581_100000210554 [0,2,0,0,0,0|1,0,0]=3 10221 B12R0.4 CCCCCCNC(=O)CC(C)C 1626a_100000210581_100000210554 [0,2,0,0,0,0|1,0,0]=3 10222 B12R0.4 CCCCCCNC(=O)CC(C)C 240690a_100000210581_100000210554 [0,2,0,0,0,0|1,0,0]=3 10223 B12R0.4 CCCCCCNC(=O)CC(C)C 527a_100000210581_100000210554 [0,2,0,0,0,0|1,0,0]=3 10224 B12R0.4 CCCCCCNC(=O)CN(C)C 11a_100000210581_100000750896 [0,2,0,0,0,0|2,0,0]=4 10225 B12R0.4 CCCCCCNC(=O)CN(C)C 2230a_100102631434_100000230325 [0,2,0,0,0,0|2,0,0]=4 10226 B12R0.4 CCCCCCNC(=O)CN(C)C 240690a_100000210581_100000750896 [0,2,0,0,0,0|2,0,0]=4 10227 B12R0.4 CCCCCCNC(=O)CN(C)C 269982a_100102631434_100000230325 [0,2,0,0,0,0|2,0,0]=4 10228 B12R0.4 CCCCCCNC(=O)CN(C)C 527a_100000210581_100000750896 [0,2,0,0,0,0|2,0,0]=4 10229 B12R0.4 CCCCCCNC(=O)C[C@@H](C)O 240690a_100000210581_100011933948 [0,2,0,0,0,0|2,0,0]=4 10230 B12R0.4 CCCCCCNC(=O)C[S+](C)C 11a_100000210581_200159257847 [0,2,0,0,0,0|2,0,0]=4 10231 B12R0.4 CCCCCCNC(=O)C[S+](C)C 1626a_100000210581_200159257847 [0,2,0,0,0,0|2,0,0]=4 10232 B12R0.4 CCCCCCNC(=O)C[S+](C)C 240690a_100000210581_200159257847 [0,2,0,0,0,0|2,0,0]=4 10233 B12R0.4 CCCCCCNC(=O)C[S+](C)C 527a_100000210581_200159257847 [0,2,0,0,0,0|2,0,0]=4 10234 B12R0.4 CCCCCCNC(=O)NC(C)C 2708a_100000210581_100138425928 [0,2,0,0,0,0|2,0,0]=4 10235 B12R0.4 CCCCCCNC(=O)NC(C)C 2708a_100138425928_100000210581 [0,2,0,0,0,0|2,0,0]=4 10236 B12R0.4 CCCCCCNC(=O)NC(C)C 273464a_100138425928_100000210581 [0,2,0,0,0,0|2,0,0]=4 10237 B12R0.4 CCCCCCNC(=O)NC(C)C 512a_100000210581_100138425928 [0,2,0,0,0,0|2,0,0]=4 10238 B12R0.4 CCCCCCNC(=O)NC(C)C 512a_100138425928_100000210581 [0,2,0,0,0,0|2,0,0]=4 10239 B12R0.4 CCCCCCOC(C)CC(C)C 34a_100000210259_100000731052 [0,2,0,0,0,0|1,0,1]=4 10240 B12R0.4 CCCCCCOC(C)CC(C)C 34a_100000211805_100000210314 [0,2,0,0,0,0|1,0,1]=4 10241 B12R0.4 CCCCCCOC(C)CC(C)C 7a_100000210259_100000731052 [0,2,0,0,0,0|1,0,1]=4 10242 B12R0.4 CCCCCCOC(C)CC(C)C 7a_100000211805_100000210314 [0,2,0,0,0,0|1,0,1]=4 10243 B12R0.4 CCCCCNCC(=O)NC(C)C 2230a_100000168517_100000210326 [0,2,0,0,0,0|2,0,0]=4 10244 B12R0.4 CCCCCNCC(=O)NC(C)C 2230a_100000209983_100000183996 [0,2,0,0,0,0|2,0,0]=4 10245 B12R0.4 CCCCCNCC(=O)OC(C)C 2230a_100000209983_100011215430 [0,2,0,0,0,0|2,0,0]=4 10246 B12R0.4 CCCCCNNC(=O)CC(C)C 22a_100000694160_100000210554 [0,2,0,0,0,0|1,0,0]=3 10247 B12R0.4 CCCCCNNC(=O)CN(C)C 22a_100000694160_100000750896 [0,2,0,0,0,0|2,0,0]=4 10248 B12R0.4 CCCCCNNC(=O)C[C@@H](C)O 22a_100000694160_100011933948 [0,2,0,0,0,0|2,0,0]=4 10249 B12R0.4 CCCCCNNC(=O)C[S+](C)C 22a_100000694160_200159257847 [0,2,0,0,0,0|2,0,0]=4 10250 B12R0.4 CCCCCNNC(=O)NC(C)C 273464a_100138425928_100000694160 [0,2,0,0,0,0|2,0,0]=4 10251 B12R0.4 CCCCCNNC(=O)NC(C)C 512a_100000694160_100138425928 [0,2,0,0,0,0|2,0,0]=4 10252 B12R0.4 CCCCCNNC(=O)NC(C)C 512a_100138425928_100000694160 [0,2,0,0,0,0|2,0,0]=4 10253 B12R0.4 CCCCCOCC(=O)NC(C)C 34a_100000210253_100000183996 [0,2,0,0,0,0|1,0,0]=3 10254 B12R0.4 CCCCCOCC(=O)NC(C)C 7a_100000210253_100000183996 [0,2,0,0,0,0|1,0,0]=3 10255 B12R0.4 CCCCCOCC(=O)OC(C)C 34a_100000210253_100011215430 [0,2,0,0,0,0|1,0,0]=3 10256 B12R0.4 CCCCCOCC(=O)OC(C)C 7a_100000210253_100011215430 [0,2,0,0,0,0|1,0,0]=3 10257 B12R0.4 CCCCCOC[C@@H](N)CC(C)C 34a_100011830311_100000718602 [0,2,0,0,0,0|1,0,1]=4 10258 B12R0.4 CCCCCSCC(=O)NC(C)C 62a_100000183996_100000210326 [0,2,0,0,0,0|1,1,0]=4 10259 B12R0.4 CCCCCSCC(=O)NC(C)C 62a_100000210326_100000183996 [0,2,0,0,0,0|1,1,0]=4 10260 B12R0.4 CCCCCSCC(=O)OC(C)C 62a_100000210326_100011215430 [0,2,0,0,0,0|1,1,0]=4 10261 B12R0.4 CCCCCSCC(=O)OC(C)C 62a_100011215430_100000210326 [0,2,0,0,0,0|1,1,0]=4 10262 B12R0.4 CCCCNCCC(=O)NC(C)C 2230a_100000102301_100000737564 [0,2,0,0,0,0|2,0,0]=4 10263 B12R0.4 CCCCNCCC(=O)NC(C)C 7a_106832991798_100000737564 [0,2,0,0,0,0|2,0,0]=4 10264 B12R0.4 CCCCNCCC(=O)OC(C)C 2230a_100000102301_100000760027 [0,2,0,0,0,0|2,0,0]=4 10265 B12R0.4 CCCCNCCC(=O)OC(C)C 7a_106832991798_100000760027 [0,2,0,0,0,0|2,0,0]=4 10266 B12R0.4 CCCCOCCC(=O)C=C(C)C 1458a_100000211388_100000743108 [0,2,0,0,0,0|0,0,2]=4 10267 B12R0.4 CCCCOCCC(=O)CC(C)C 1458a_100000210554_100000743108 [0,2,0,0,0,0|0,0,0]=2 10268 B12R0.4 CCCCOCCC(=O)CN(C)C 1458a_100000750896_100000743108 [0,2,0,0,0,0|1,0,0]=3 10269 B12R0.4 CCCCOCCC(=O)C[C@@H](C)O 1458a_100011933948_100000743108 [0,2,0,0,0,0|1,0,0]=3 10270 B12R0.4 CCCCOCCC(=O)C[S+](C)C 1458a_200159257847_100000743108 [0,2,0,0,0,0|1,0,0]=3 10271 B12R0.4 CCCCOCCC(=O)NC(C)C 7a_100000210227_100000737564 [0,2,0,0,0,0|1,0,0]=3 10272 B12R0.4 CCCCOCCC(=O)OC(C)C 7a_100000210227_100000760027 [0,2,0,0,0,0|1,0,0]=3 10273 B12R0.4 CCCCOCCN(C)CC(C)C 2230a_100000747067_100000743108 [0,2,0,0,0,0|2,0,0]=4 10274 B12R0.4 CCCCOCCN(C)CC(C)C 269982a_100000747067_100000743108 [0,2,0,0,0,0|2,0,0]=4 10275 B12R0.4 CCCCOCC[C@@H](N)CC(C)C 34a_100161151251_100000210210 [0,2,0,0,0,0|1,0,1]=4 10276 B12R0.4 CCCCOCNC(C)CC(C)C 2230a_100000692259_100011995733 [0,2,0,0,0,0|1,0,1]=4 10277 B12R0.4 CCCCOCOC(C)CC(C)C 34a_100000211805_100011995733 [0,2,0,0,0,0|1,0,1]=4 10278 B12R0.4 CCCCOCSC(C)CC(C)C 62a_100000731052_100011995733 [0,2,0,0,0,0|1,0,1]=4 10279 B12R0.4 CCCCOCSC(C)CC(C)C 62a_100011995733_100000731052 [0,2,0,0,0,0|1,0,1]=4 10280 B12R0.4 CCCCSCCC(=O)NC(C)C 62a_100000210211_100000737564 [0,2,0,0,0,0|1,1,0]=4 10281 B12R0.4 CCCCSCCC(=O)NC(C)C 62a_100000737564_100000210210 [0,2,0,0,0,0|1,1,0]=4 10282 B12R0.4 CCCCSCCC(=O)OC(C)C 62a_100000210211_100000760027 [0,2,0,0,0,0|1,1,0]=4 10283 B12R0.4 CCCCSCCC(=O)OC(C)C 62a_100000760027_100000210210 [0,2,0,0,0,0|1,1,0]=4 10284 B12R0.4 CCCCSCOC(=O)OC(C)C 62a_100000003507_100000210210 [0,2,0,0,0,0|1,0,0]=3 10285 B12R0.4 CCCCSCOC(=O)OC(C)C 62a_100000210211_100000003507 [0,2,0,0,0,0|1,0,0]=3 10286 B12R0.4 CCCOCCNC(=O)CC(C)C 1626a_100161115042_100000210554 [0,2,0,0,0,0|1,0,0]=3 10287 B12R0.4 CCCOCCNC(=O)CC(C)C 240690a_100161115042_100000210554 [0,2,0,0,0,0|1,0,0]=3 10288 B12R0.4 CCCOCCNC(=O)CC(C)C 527a_100161115042_100000210554 [0,2,0,0,0,0|1,0,0]=3 10289 B12R0.4 CCCOCCNC(=O)CN(C)C 240690a_100161115042_100000750896 [0,2,0,0,0,0|2,0,0]=4 10290 B12R0.4 CCCOCCNC(=O)CN(C)C 527a_100161115042_100000750896 [0,2,0,0,0,0|2,0,0]=4 10291 B12R0.4 CCCOCCNC(=O)C[C@@H](C)O 240690a_100161115042_100011933948 [0,2,0,0,0,0|2,0,0]=4 10292 B12R0.4 CCCOCCNC(=O)C[S+](C)C 1626a_100161115042_200159257847 [0,2,0,0,0,0|2,0,0]=4 10293 B12R0.4 CCCOCCNC(=O)C[S+](C)C 240690a_100161115042_200159257847 [0,2,0,0,0,0|2,0,0]=4 10294 B12R0.4 CCCOCCNC(=O)C[S+](C)C 527a_100161115042_200159257847 [0,2,0,0,0,0|2,0,0]=4 10295 B12R0.4 CCCOCCNC(=O)NC(C)C 2708a_100138425928_100161115042 [0,2,0,0,0,0|2,0,0]=4 10296 B12R0.4 CCCOCCNC(=O)NC(C)C 2708a_100161115042_100138425928 [0,2,0,0,0,0|2,0,0]=4 10297 B12R0.4 CCCOCCNC(=O)NC(C)C 273464a_100138425928_100161115042 [0,2,0,0,0,0|2,0,0]=4 10298 B12R0.4 CCCOCCNC(=O)NC(C)C 512a_100138425928_100161115042 [0,2,0,0,0,0|2,0,0]=4 10299 B12R0.4 CCCOCCNC(=O)NC(C)C 512a_100161115042_100138425928 [0,2,0,0,0,0|2,0,0]=4 10300 B12R0.4 CCCOCCOC(=O)CC(=O)C 34a_100000210258_100000102702 [0,2,0,0,0,0|1,0,1]=4 10301 B12R0.4 CCCOCCOC(C)CC(C)C 34a_100000211805_100011215938 [0,2,0,0,0,0|1,0,1]=4 10302 B12R0.4 CCCOCCOC(C)CC(C)C 34a_100000752267_100000731052 [0,2,0,0,0,0|1,0,1]=4 10303 B12R0.4 CCCOCCOC(C)CC(C)C 7a_100000211805_100011215938 [0,2,0,0,0,0|1,0,1]=4 10304 B12R0.4 CCCOCCOC(C)CC(C)C 7a_100000752267_100000731052 [0,2,0,0,0,0|1,0,1]=4 10305 B12R0.4 CCCSCCNC(=O)CC(C)C 11a_100020603323_100000210554 [0,2,0,0,0,0|1,0,0]=3 10306 B12R0.4 CCCSCCNC(=O)CC(C)C 240690a_100020603323_100000210554 [0,2,0,0,0,0|1,0,0]=3 10307 B12R0.4 CCCSCCNC(=O)CC(C)C 527a_100020603323_100000210554 [0,2,0,0,0,0|1,0,0]=3 10308 B12R0.4 CCCSCCNC(=O)CN(C)C 11a_100020603323_100000750896 [0,2,0,0,0,0|2,0,0]=4 10309 B12R0.4 CCCSCCNC(=O)CN(C)C 240690a_100020603323_100000750896 [0,2,0,0,0,0|2,0,0]=4 10310 B12R0.4 CCCSCCNC(=O)CN(C)C 527a_100020603323_100000750896 [0,2,0,0,0,0|2,0,0]=4 10311 B12R0.4 CCCSCCNC(=O)C[C@@H](C)O 240690a_100020603323_100011933948 [0,2,0,0,0,0|2,0,0]=4 10312 B12R0.4 CCCSCCNC(=O)C[S+](C)C 11a_100020603323_200159257847 [0,2,0,0,0,0|2,0,0]=4 10313 B12R0.4 CCCSCCNC(=O)C[S+](C)C 240690a_100020603323_200159257847 [0,2,0,0,0,0|2,0,0]=4 10314 B12R0.4 CCCSCCNC(=O)C[S+](C)C 527a_100020603323_200159257847 [0,2,0,0,0,0|2,0,0]=4 10315 B12R0.4 CCCSCCNC(=O)NC(C)C 2708a_100020603323_100138425928 [0,2,0,0,0,0|2,0,0]=4 10316 B12R0.4 CCCSCCNC(=O)NC(C)C 2708a_100138425928_100020603323 [0,2,0,0,0,0|2,0,0]=4 10317 B12R0.4 CCCSCCNC(=O)NC(C)C 273464a_100138425928_100020603323 [0,2,0,0,0,0|2,0,0]=4 10318 B12R0.4 CCCSCCNC(=O)NC(C)C 512a_100020603323_100138425928 [0,2,0,0,0,0|2,0,0]=4 10319 B12R0.4 CCCSCCNC(=O)NC(C)C 512a_100138425928_100020603323 [0,2,0,0,0,0|2,0,0]=4 10320 B12R0.4 CCCSCCOC(=O)CC(=O)C 62a_100000102702_100000210303 [0,2,0,0,0,0|1,0,1]=4 10321 B12R0.4 CCCSCCOC(=O)CC(=O)C 62a_100000210303_100000102702 [0,2,0,0,0,0|1,0,1]=4 10322 B12R0.4 CCCSCCOC(C)CC(C)C 34a_200000230433_100000731052 [0,2,0,0,0,0|1,0,1]=4 10323 B12R0.4 CCCSCCOC(C)CC(C)C 7a_200000230433_100000731052 [0,2,0,0,0,0|1,0,1]=4 10324 B12R0.4 CCOCCCNC(=O)CC(C)C 11a_100000210961_100000210554 [0,2,0,0,0,0|1,0,0]=3 10325 B12R0.4 CCOCCCNC(=O)CC(C)C 1626a_100000210961_100000210554 [0,2,0,0,0,0|1,0,0]=3 10326 B12R0.4 CCOCCCNC(=O)CC(C)C 240690a_100000210961_100000210554 [0,2,0,0,0,0|1,0,0]=3 10327 B12R0.4 CCOCCCNC(=O)CC(C)C 527a_100000210961_100000210554 [0,2,0,0,0,0|1,0,0]=3 10328 B12R0.4 CCOCCCNC(=O)CN(C)C 11a_100000210961_100000750896 [0,2,0,0,0,0|2,0,0]=4 10329 B12R0.4 CCOCCCNC(=O)CN(C)C 240690a_100000210961_100000750896 [0,2,0,0,0,0|2,0,0]=4 10330 B12R0.4 CCOCCCNC(=O)CN(C)C 527a_100000210961_100000750896 [0,2,0,0,0,0|2,0,0]=4 10331 B12R0.4 CCOCCCNC(=O)C[C@@H](C)O 240690a_100000210961_100011933948 [0,2,0,0,0,0|2,0,0]=4 10332 B12R0.4 CCOCCCNC(=O)C[S+](C)C 11a_100000210961_200159257847 [0,2,0,0,0,0|2,0,0]=4 10333 B12R0.4 CCOCCCNC(=O)C[S+](C)C 1626a_100000210961_200159257847 [0,2,0,0,0,0|2,0,0]=4 10334 B12R0.4 CCOCCCNC(=O)C[S+](C)C 240690a_100000210961_200159257847 [0,2,0,0,0,0|2,0,0]=4 10335 B12R0.4 CCOCCCNC(=O)C[S+](C)C 527a_100000210961_200159257847 [0,2,0,0,0,0|2,0,0]=4 10336 B12R0.4 CCOCCCNC(=O)NC(C)C 2708a_100000210961_100138425928 [0,2,0,0,0,0|2,0,0]=4 10337 B12R0.4 CCOCCCNC(=O)NC(C)C 2708a_100138425928_100000210961 [0,2,0,0,0,0|2,0,0]=4 10338 B12R0.4 CCOCCCNC(=O)NC(C)C 273464a_100138425928_100000210961 [0,2,0,0,0,0|2,0,0]=4 10339 B12R0.4 CCOCCCNC(=O)NC(C)C 512a_100000210961_100138425928 [0,2,0,0,0,0|2,0,0]=4 10340 B12R0.4 CCOCCCNC(=O)NC(C)C 512a_100138425928_100000210961 [0,2,0,0,0,0|2,0,0]=4 10341 B12R0.4 CCOCCCOC(C)CC(C)C 34a_100000211805_100012232248 [0,2,0,0,0,0|1,0,1]=4 10342 B12R0.4 CCOCCCOC(C)CC(C)C 34a_100000757476_100000731052 [0,2,0,0,0,0|1,0,1]=4 10343 B12R0.4 CCOCCCOC(C)CC(C)C 7a_100000211805_100012232248 [0,2,0,0,0,0|1,0,1]=4 10344 B12R0.4 CCOCCCOC(C)CC(C)C 7a_100000757476_100000731052 [0,2,0,0,0,0|1,0,1]=4 10345 B12R0.4 CCOCCNCC(=O)NC(C)C 2230a_100000168517_100011215890 [0,2,0,0,0,0|2,0,0]=4 10346 B12R0.4 CCOCCNCC(=O)NC(C)C 2230a_102516460346_100000183996 [0,2,0,0,0,0|2,0,0]=4 10347 B12R0.4 CCOCCNCC(=O)NC(C)C 34a_102516460346_100000183996 [0,2,0,0,0,0|2,0,0]=4 10348 B12R0.4 CCOCCNCC(=O)OC(C)C 2230a_102516460346_100011215430 [0,2,0,0,0,0|2,0,0]=4 10349 B12R0.4 CCOCCNCC(=O)OC(C)C 34a_102516460346_100011215430 [0,2,0,0,0,0|2,0,0]=4 10350 B12R0.4 CCOCCNNC(=O)CC(C)C 22a_100000732670_100000210554 [0,2,0,0,0,0|1,0,0]=3 10351 B12R0.4 CCOCCNNC(=O)CN(C)C 22a_100000732670_100000750896 [0,2,0,0,0,0|2,0,0]=4 10352 B12R0.4 CCOCCNNC(=O)C[C@@H](C)O 22a_100000732670_100011933948 [0,2,0,0,0,0|2,0,0]=4 10353 B12R0.4 CCOCCNNC(=O)C[S+](C)C 22a_100000732670_200159257847 [0,2,0,0,0,0|2,0,0]=4 10354 B12R0.4 CCOCCNNC(=O)NC(C)C 273464a_100138425928_100000732670 [0,2,0,0,0,0|2,0,0]=4 10355 B12R0.4 CCOCCNNC(=O)NC(C)C 512a_100000732670_100138425928 [0,2,0,0,0,0|2,0,0]=4 10356 B12R0.4 CCOCCNNC(=O)NC(C)C 512a_100138425928_100000732670 [0,2,0,0,0,0|2,0,0]=4 10357 B12R0.4 CCOCCOCC(=O)NC(C)C 34a_100000210136_100000183996 [0,2,0,0,0,0|1,0,0]=3 10358 B12R0.4 CCOCCOCC(=O)NC(C)C 7a_100000210136_100000183996 [0,2,0,0,0,0|1,0,0]=3 10359 B12R0.4 CCOCCOCC(=O)OC(C)C 34a_100000210136_100011215430 [0,2,0,0,0,0|1,0,0]=3 10360 B12R0.4 CCOCCOCC(=O)OC(C)C 7a_100000210136_100011215430 [0,2,0,0,0,0|1,0,0]=3 10361 B12R0.4 CCOCCOC[C@@H](N)CC(C)C 34a_100011830311_100000210147 [0,2,0,0,0,0|1,0,1]=4 10362 B12R0.4 CCOCCSCC(=O)NC(C)C 62a_100000183996_100011215890 [0,2,0,0,0,0|1,1,0]=4 10363 B12R0.4 CCOCCSCC(=O)NC(C)C 62a_100000210147_100000183996 [0,2,0,0,0,0|1,1,0]=4 10364 B12R0.4 CCOCCSCC(=O)OC(C)C 62a_100000210147_100011215430 [0,2,0,0,0,0|1,1,0]=4 10365 B12R0.4 CCOCCSCC(=O)OC(C)C 62a_100011215430_100011215890 [0,2,0,0,0,0|1,1,0]=4 10366 B12R0.4 CCOCSCCC(=O)NC(C)C 62a_100000737564_100000739092 [0,2,0,0,0,0|2,0,0]=4 10367 B12R0.4 CCOCSCCC(=O)NC(C)C 62a_100000739092_100000737564 [0,2,0,0,0,0|2,0,0]=4 10368 B12R0.4 CCOCSCCC(=O)OC(C)C 62a_100000739092_100000760027 [0,2,0,0,0,0|2,0,0]=4 10369 B12R0.4 CCOCSCCC(=O)OC(C)C 62a_100000760027_100000739092 [0,2,0,0,0,0|2,0,0]=4 10370 B12R0.4 CCOCSCOC(=O)OC(C)C 62a_100000003507_100000739092 [0,2,0,0,0,0|1,0,0]=3 10371 B12R0.4 CCOCSCOC(=O)OC(C)C 62a_100000739092_100000003507 [0,2,0,0,0,0|1,0,0]=3 10372 B12R0.4 CCSCCCOC(C)CC(C)C 34a_100011216438_100000731052 [0,2,0,0,0,0|1,0,1]=4 10373 B12R0.4 CCSCCCOC(C)CC(C)C 7a_100011216438_100000731052 [0,2,0,0,0,0|1,0,1]=4 10374 B12R0.4 CCSCCNCC(=O)NC(C)C 2230a_100000106463_100000183996 [0,2,0,0,0,0|2,0,0]=4 10375 B12R0.4 CCSCCNCC(=O)NC(C)C 2230a_100000168517_100000757381 [0,2,0,0,0,0|2,0,0]=4 10376 B12R0.4 CCSCCNCC(=O)OC(C)C 2230a_100000106463_100011215430 [0,2,0,0,0,0|2,0,0]=4 10377 B12R0.4 CCSCCOCC(=O)NC(C)C 34a_100000212035_100000183996 [0,2,0,0,0,0|1,0,0]=3 10378 B12R0.4 CCSCCOCC(=O)NC(C)C 7a_100000212035_100000183996 [0,2,0,0,0,0|1,0,0]=3 10379 B12R0.4 CCSCCOCC(=O)OC(C)C 34a_100000212035_100011215430 [0,2,0,0,0,0|1,0,0]=3 10380 B12R0.4 CCSCCOCC(=O)OC(C)C 7a_100000212035_100011215430 [0,2,0,0,0,0|1,0,0]=3 10381 B12R0.4 CCSCCOC[C@@H](N)CC(C)C 34a_100011830311_100000757381 [0,2,0,0,0,0|1,0,1]=4 10382 B12R0.4 CCSCCSCC(=O)NC(C)C 62a_100000183996_100000757381 [0,2,0,0,0,0|1,1,0]=4 10383 B12R0.4 CCSCCSCC(=O)NC(C)C 62a_100000757381_100000183996 [0,2,0,0,0,0|1,1,0]=4 10384 B12R0.4 CCSCCSCC(=O)OC(C)C 62a_100000757381_100011215430 [0,2,0,0,0,0|1,1,0]=4 10385 B12R0.4 CCSCCSCC(=O)OC(C)C 62a_100011215430_100000757381 [0,2,0,0,0,0|1,1,0]=4 10386 B12R0.4 CN(C)CC(=O)CCCCCC#N 1458a_100000750896_100009813376 [0,2,0,0,0,0|2,0,0]=4 10387 B12R0.4 CN(C)CC(=O)CCCCCCF 1458a_100000750896_100015922095 [0,2,0,0,0,0|2,0,0]=4 10388 B12R0.4 CN(C)CC(=O)CCCCCCO 1458a_100000750896_100000766143 [0,2,0,0,0,0|2,0,0]=4 10389 B12R0.4 CN(C)CC(=O)NCCCCC#N 11a_100000751965_100000750896 [0,2,0,0,0,0|2,0,0]=4 10390 B12R0.4 CN(C)CC(=O)NCCCCC#N 240690a_100000751965_100000750896 [0,2,0,0,0,0|2,0,0]=4 10391 B12R0.4 CN(C)CC(=O)NCCCCC#N 527a_100000751965_100000750896 [0,2,0,0,0,0|2,0,0]=4 10392 B12R0.4 CN(C)CC(=O)NCCCCCO 240690a_100000762737_100000750896 [0,2,0,0,0,0|2,0,0]=4 10393 B12R0.4 CN(C)CC(=O)NCCOCCO 240690a_100000211614_100000750896 [0,2,0,0,0,0|2,0,0]=4 10394 B12R0.4 CN(C)CC(=O)NCCSCCO 240690a_100011219999_100000750896 [0,2,0,0,0,0|2,0,0]=4 10395 B12R0.4 CN(C)CC(=O)NCCSCCO 527a_100011219999_100000750896 [0,2,0,0,0,0|2,0,0]=4 10396 B12R0.4 CNCCCCCC(=O)OC(C)C 2230a_106832991635_200010986244 [0,2,0,0,0,0|2,0,0]=4 10397 B12R0.4 CNCCCCCC(=O)OC(C)C 34a_100102657272_200010986244 [0,2,0,0,0,0|2,0,0]=4 10398 B12R0.4 CNCCCCCC(=O)OC(C)C 7a_106832991635_200010986244 [0,2,0,0,0,0|2,0,0]=4 10399 B12R0.4 CNCCCOCC(=O)NC(C)C 34a_100000213112_100000183996 [0,2,0,0,0,0|1,0,0]=3 10400 B12R0.4 CNCCCOCC(=O)OC(C)C 34a_100000213112_100011215430 [0,2,0,0,0,0|1,0,0]=3 10401 B12R0.4 COCCCCCC(=O)CC(C)C 1458a_100011935119_100000210624 [0,2,0,0,0,0|1,0,0]=3 10402 B12R0.4 COCCCCCC(=O)CC(C)O 1458a_100011935119_100011218427 [0,2,0,0,0,0|2,0,0]=4 10403 B12R0.4 COCCCCCC(=O)NC(C)C 11a_100138425928_100011935119 [0,2,0,0,0,0|2,0,0]=4 10404 B12R0.4 COCCCCCC(=O)NC(C)C 1626a_100138425928_100011935119 [0,2,0,0,0,0|2,0,0]=4 10405 B12R0.4 COCCCCCC(=O)NC(C)C 240690a_100138425928_100011935119 [0,2,0,0,0,0|2,0,0]=4 10406 B12R0.4 COCCCCCC(=O)NC(C)C 527a_100138425928_100011935119 [0,2,0,0,0,0|2,0,0]=4 10407 B12R0.4 COCCCCCC(=O)OC(C)C 34a_100138415774_200010986244 [0,2,0,0,0,0|2,0,0]=4 10408 B12R0.4 COCCCCOC(C)CC(C)C 34a_100000211805_100000755781 [0,2,0,0,0,0|1,0,1]=4 10409 B12R0.4 COCCCCOC(C)CC(C)C 34a_100000740925_100000731052 [0,2,0,0,0,0|1,0,1]=4 10410 B12R0.4 COCCCCOC(C)CC(C)C 7a_100000211805_100000730899 [0,2,0,0,0,0|1,0,1]=4 10411 B12R0.4 COCCCNCC(=O)NC(C)C 2230a_100000168517_100000740836 [0,2,0,0,0,0|2,0,0]=4 10412 B12R0.4 COCCCNCC(=O)NC(C)C 34a_100150723488_100000183996 [0,2,0,0,0,0|2,0,0]=4 10413 B12R0.4 COCCCNCC(=O)OC(C)C 34a_100150723488_100011215430 [0,2,0,0,0,0|2,0,0]=4 10414 B12R0.4 COCCCNNC(=O)CC(C)C 22a_100025702787_100000210554 [0,2,0,0,0,0|1,0,0]=3 10415 B12R0.4 COCCCNNC(=O)CN(C)C 22a_100025702787_100000750896 [0,2,0,0,0,0|2,0,0]=4 10416 B12R0.4 COCCCNNC(=O)C[C@@H](C)O 22a_100025702787_100011933948 [0,2,0,0,0,0|2,0,0]=4 10417 B12R0.4 COCCCNNC(=O)C[S+](C)C 22a_100025702787_200159257847 [0,2,0,0,0,0|2,0,0]=4 10418 B12R0.4 COCCCNNC(=O)NC(C)C 273464a_100138425928_100025702787 [0,2,0,0,0,0|2,0,0]=4 10419 B12R0.4 COCCCNNC(=O)NC(C)C 512a_100138425928_100025702787 [0,2,0,0,0,0|2,0,0]=4 10420 B12R0.4 COCCCOCC(=O)NC(C)C 34a_100000740835_100000183996 [0,2,0,0,0,0|1,0,0]=3 10421 B12R0.4 COCCCOCC(=O)OC(C)C 34a_100000740835_100011215430 [0,2,0,0,0,0|1,0,0]=3 10422 B12R0.4 COCCCOC[C@@H](N)CC(C)C 34a_100011830311_100000740836 [0,2,0,0,0,0|1,0,1]=4 10423 B12R0.4 COCCCSCC(=O)NC(C)C 62a_100000183996_100000709357 [0,2,0,0,0,0|1,1,0]=4 10424 B12R0.4 COCCCSCC(=O)NC(C)C 62a_100000709357_100000183996 [0,2,0,0,0,0|1,1,0]=4 10425 B12R0.4 COCCCSCC(=O)OC(C)C 62a_100000709357_100011215430 [0,2,0,0,0,0|1,1,0]=4 10426 B12R0.4 COCCCSCC(=O)OC(C)C 62a_100011215430_100000709357 [0,2,0,0,0,0|1,1,0]=4 10427 B12R0.4 COCCNCCC(=O)NC(C)C 2230a_100000209980_100000737564 [0,2,0,0,0,0|2,0,0]=4 10428 B12R0.4 COCCNCCC(=O)OC(C)C 2230a_100000209980_100000760027 [0,2,0,0,0,0|2,0,0]=4 10429 B12R0.4 COCCOCCC(=O)CC(C)C 1458a_100000210554_100000695917 [0,2,0,0,0,0|1,0,0]=3 10430 B12R0.4 COCCOCCC(=O)CC(C)C 1458a_100000745395_100000210624 [0,2,0,0,0,0|1,0,0]=3 10431 B12R0.4 COCCOCCC(=O)CC(C)O 1458a_100000745395_100011218427 [0,2,0,0,0,0|2,0,0]=4 10432 B12R0.4 COCCOCCC(=O)CN(C)C 1458a_100000750896_100000695917 [0,2,0,0,0,0|2,0,0]=4 10433 B12R0.4 COCCOCCC(=O)C[C@@H](C)O 1458a_100011933948_100000695917 [0,2,0,0,0,0|2,0,0]=4 10434 B12R0.4 COCCOCCC(=O)C[S+](C)C 1458a_200159257847_100000695917 [0,2,0,0,0,0|2,0,0]=4 10435 B12R0.4 COCCOCCC(=O)NC(C)C 11a_100138425928_100000745395 [0,2,0,0,0,0|2,0,0]=4 10436 B12R0.4 COCCOCCC(=O)NC(C)C 1626a_100138425928_100000745395 [0,2,0,0,0,0|2,0,0]=4 10437 B12R0.4 COCCOCCC(=O)NC(C)C 240690a_100138425928_100000745395 [0,2,0,0,0,0|2,0,0]=4 10438 B12R0.4 COCCOCCC(=O)NC(C)C 527a_100138425928_100000745395 [0,2,0,0,0,0|2,0,0]=4 10439 B12R0.4 COCCSCCC(=O)NC(C)C 62a_100000233755_100000737564 [0,2,0,0,0,0|2,0,0]=4 10440 B12R0.4 COCCSCCC(=O)NC(C)C 62a_100000737564_100000233755 [0,2,0,0,0,0|2,0,0]=4 10441 B12R0.4 COCCSCCC(=O)OC(C)C 62a_100000233755_100000760027 [0,2,0,0,0,0|2,0,0]=4 10442 B12R0.4 COCCSCCC(=O)OC(C)C 62a_100000760027_100000233755 [0,2,0,0,0,0|2,0,0]=4 10443 B12R0.4 COCCSCOC(=O)OC(C)C 62a_100000003507_100000233755 [0,2,0,0,0,0|1,0,0]=3 10444 B12R0.4 COCCSCOC(=O)OC(C)C 62a_100000233755_100000003507 [0,2,0,0,0,0|1,0,0]=3 10445 B12R0.4 COCSCCOC(=O)CC(=O)C 62a_100000102702_100000766300 [0,2,0,0,0,0|1,0,1]=4 10446 B12R0.4 COCSCCOC(=O)CC(=O)C 62a_100000766300_100000102702 [0,2,0,0,0,0|1,0,1]=4 10447 B12R0.4 CSCCC=NNC(=O)CC(C)C 4a_100000189787_100000210997 [0,2,0,0,0,0|1,0,1]=4 10448 B12R0.4 CSCCCCCC(=O)OC(C)C 62a_200000210301_200010986244 [0,2,0,0,0,0|2,0,0]=4 10449 B12R0.4 CSCCCCCC(=O)OC(C)C 62a_200010986244_200000210301 [0,2,0,0,0,0|2,0,0]=4 10450 B12R0.4 CSCCCCOC(C)CC(C)C 34a_100011217163_100000731052 [0,2,0,0,0,0|1,0,1]=4 10451 B12R0.4 CSCCCCOC(C)CC(C)C 7a_100011217163_100000731052 [0,2,0,0,0,0|1,0,1]=4 10452 B12R0.4 CSCCCNCC(=O)NC(C)C 2230a_100000749238_100000183996 [0,2,0,0,0,0|2,0,0]=4 10453 B12R0.4 CSCCCNCC(=O)OC(C)C 2230a_100000749238_100011215430 [0,2,0,0,0,0|2,0,0]=4 10454 B12R0.4 CSCCCOCC(=O)NC(C)C 34a_100000690336_100000183996 [0,2,0,0,0,0|1,0,0]=3 10455 B12R0.4 CSCCCOCC(=O)NC(C)C 7a_100000690336_100000183996 [0,2,0,0,0,0|1,0,0]=3 10456 B12R0.4 CSCCCOCC(=O)OC(C)C 34a_100000690336_100011215430 [0,2,0,0,0,0|1,0,0]=3 10457 B12R0.4 CSCCCOCC(=O)OC(C)C 7a_100000690336_100011215430 [0,2,0,0,0,0|1,0,0]=3 10458 B12R0.4 CSCCNCCC(=O)NC(C)C 2230a_100020590264_100000737564 [0,2,0,0,0,0|2,0,0]=4 10459 B12R0.4 CSCCNCCC(=O)OC(C)C 2230a_100020590264_100000760027 [0,2,0,0,0,0|2,0,0]=4 10460 B12R0.4 CSCCOCCC(=O)NC(C)C 7a_100000230434_100000737564 [0,2,0,0,0,0|2,0,0]=4 10461 B12R0.4 CSCCOCCC(=O)OC(C)C 7a_100000230434_100000760027 [0,2,0,0,0,0|2,0,0]=4 10462 B12R0.4 CSCCSCCC(=O)NC(C)C 62a_100000212216_100000737564 [0,2,0,0,0,0|2,0,0]=4 10463 B12R0.4 CSCCSCCC(=O)NC(C)C 62a_100000737564_100000751147 [0,2,0,0,0,0|2,0,0]=4 10464 B12R0.4 CSCCSCCC(=O)OC(C)C 62a_100000212216_100000760027 [0,2,0,0,0,0|2,0,0]=4 10465 B12R0.4 CSCCSCCC(=O)OC(C)C 62a_100000760027_100000751147 [0,2,0,0,0,0|2,0,0]=4 10466 B12R0.4 CSCCSCOC(=O)OC(C)C 62a_100000003507_100000751147 [0,2,0,0,0,0|1,0,0]=3 10467 B12R0.4 CSCCSCOC(=O)OC(C)C 62a_100000212216_100000003507 [0,2,0,0,0,0|1,0,0]=3 10468 B12R0.4 CSCSCCOC(=O)CC(=O)C 62a_100000102702_100011218213 [0,2,0,0,0,0|1,0,1]=4 10469 B12R0.4 CSCSCCOC(=O)CC(=O)C 62a_100011218213_100000102702 [0,2,0,0,0,0|1,0,1]=4 10470 B12R0.4 C[C@@H](O)CC(=O)CCCCCC#N 1458a_100011933948_100009813376 [0,2,0,0,0,0|2,0,0]=4 10471 B12R0.4 C[C@@H](O)CC(=O)CCCCCCF 1458a_100011933948_100015922095 [0,2,0,0,0,0|2,0,0]=4 10472 B12R0.4 C[C@@H](O)CC(=O)CCCCCCO 1458a_100011933948_100000766143 [0,2,0,0,0,0|2,0,0]=4 10473 B12R0.4 C[C@@H](O)CC(=O)NCCCCC#N 240690a_100000751965_100011933948 [0,2,0,0,0,0|2,0,0]=4 10474 B12R0.4 C[C@@H](O)CC(=O)NCCCCCO 240690a_100000762737_100011933948 [0,2,0,0,0,0|2,0,0]=4 10475 B12R0.4 C[C@@H](O)CC(=O)NCCOCCO 240690a_100000211614_100011933948 [0,2,0,0,0,0|2,0,0]=4 10476 B12R0.4 C[C@@H](O)CC(=O)NCCSCCO 240690a_100011219999_100011933948 [0,2,0,0,0,0|2,0,0]=4 10477 B12R0.4 C[S+](C)CC(=O)CCCCCC#N 1458a_200159257847_100009813376 [0,2,0,0,0,0|2,0,0]=4 10478 B12R0.4 C[S+](C)CC(=O)CCCCCCF 1458a_200159257847_100015922095 [0,2,0,0,0,0|2,0,0]=4 10479 B12R0.4 C[S+](C)CC(=O)CCCCCCO 1458a_200159257847_100000766143 [0,2,0,0,0,0|2,0,0]=4 10480 B12R0.4 C[S+](C)CC(=O)NCCCCC#N 11a_100000751965_200159257847 [0,2,0,0,0,0|2,0,0]=4 10481 B12R0.4 C[S+](C)CC(=O)NCCCCC#N 1626a_100000751965_200159257847 [0,2,0,0,0,0|2,0,0]=4 10482 B12R0.4 C[S+](C)CC(=O)NCCCCC#N 240690a_100000751965_200159257847 [0,2,0,0,0,0|2,0,0]=4 10483 B12R0.4 C[S+](C)CC(=O)NCCCCC#N 527a_100000751965_200159257847 [0,2,0,0,0,0|2,0,0]=4 10484 B12R0.4 C[S+](C)CC(=O)NCCCCCO 240690a_100000762737_200159257847 [0,2,0,0,0,0|2,0,0]=4 10485 B12R0.4 C[S+](C)CC(=O)NCCOCCO 240690a_100000211614_200159257847 [0,2,0,0,0,0|2,0,0]=4 10486 B12R0.4 C[S+](C)CC(=O)NCCSCCO 240690a_100011219999_200159257847 [0,2,0,0,0,0|2,0,0]=4 10487 B12R0.4 C[S+](C)CC(=O)NCCSCCO 527a_100011219999_200159257847 [0,2,0,0,0,0|2,0,0]=4 10488 B12R0.46 C#CCCCCC(=O)C(C)C(C)C 1458a_100000755409_100010269958 [0,2,0,0,0,0|1,0,1]=4 10489 B12R0.46 C#CCCCCC(=O)[C@H](O)C(C)C 1458a_100000691806_100010269958 [0,2,0,0,0,0|1,0,1]=4 10490 B12R0.46 C#CCCCNC(=O)C(C)C(C)C 11a_100000718082_100000755409 [0,2,0,0,0,0|1,0,1]=4 10491 B12R0.46 C#CCCCNC(=O)C(C)C(C)C 1626a_100000718082_100000755409 [0,2,0,0,0,0|1,0,1]=4 10492 B12R0.46 C#CCCCNC(=O)C(C)C(C)C 240690a_100000718082_100000755409 [0,2,0,0,0,0|1,0,1]=4 10493 B12R0.46 C#CCCCNC(=O)C(C)C(C)C 527a_100000718082_100000755409 [0,2,0,0,0,0|1,0,1]=4 10494 B12R0.46 C#CCCCNC(=O)[C@H](O)C(C)C 240690a_100000718082_100000691806 [0,2,0,0,0,0|1,0,1]=4 10495 B12R0.46 C=CCCCCC(=O)C(C)C(C)C 1458a_100000755409_100011215482 [0,2,0,0,0,0|1,0,1]=4 10496 B12R0.46 C=CCCCCC(=O)[C@H](O)C(C)C 1458a_100000691806_100011215482 [0,2,0,0,0,0|1,0,1]=4 10497 B12R0.46 C=CCCCNC(=O)C(C)C(C)C 11a_100000700776_100000755409 [0,2,0,0,0,0|1,0,1]=4 10498 B12R0.46 C=CCCCNC(=O)C(C)C(C)C 1626a_100000700776_100000755409 [0,2,0,0,0,0|1,0,1]=4 10499 B12R0.46 C=CCCCNC(=O)C(C)C(C)C 240690a_100000700776_100000755409 [0,2,0,0,0,0|1,0,1]=4 10500 B12R0.46 C=CCCCNC(=O)C(C)C(C)C 527a_100000700776_100000755409 [0,2,0,0,0,0|1,0,1]=4 10501 B12R0.46 C=CCCCNC(=O)[C@H](O)C(C)C 240690a_100000700776_100000691806 [0,2,0,0,0,0|1,0,1]=4 10502 B12R0.46 CC(C)C(C)C(=O)CCCCC#N 1458a_100000755409_100000211819 [0,2,0,0,0,0|1,0,1]=4 10503 B12R0.46 CC(C)C(C)C(=O)CCCCCF 1458a_100000755409_100000729378 [0,2,0,0,0,0|1,0,0]=3 10504 B12R0.46 CC(C)C(C)C(=O)CCCCCO 1458a_100000755409_100000746330 [0,2,0,0,0,0|1,0,0]=3 10505 B12R0.46 CC(C)C(C)C(=O)CCOCCO 1458a_100000755409_100011215305 [0,2,0,0,0,0|2,0,0]=4 10506 B12R0.46 CC(C)C(C)C(=O)NCCCCO 240690a_100000750430_100000755409 [0,2,0,0,0,0|1,0,0]=3 10507 B12R0.46 CC(C)C(C)C(=O)NCCCCO 527a_100000750430_100000755409 [0,2,0,0,0,0|1,0,0]=3 10508 B12R0.46 CC(C)N(C)C(=O)CCCCCO 240690a_200000211004_100102619762 [0,2,0,0,0,0|2,0,0]=4 10509 B12R0.46 CC(C)N(C)C(=O)COCCCBr 34a_100011217188_100000230190 [0,2,0,0,0,0|2,0,0]=4 10510 B12R0.46 CC(C)N(C)C(=O)COCCCCl 34a_100000230001_100000230190 [0,2,0,0,0,0|2,0,0]=4 10511 B12R0.46 CC(C)N(C)C(=O)COCCCF 34a_100000759539_100000230190 [0,2,0,0,0,0|2,0,0]=4 10512 B12R0.46 CC(C)N(C)C(=O)COCCCN 34a_100000182051_100000230190 [0,2,0,0,0,0|2,0,0]=4 10513 B12R0.46 CC(C)N(C)C(=O)NCCCCO 2708a_100000750430_200000211004 [0,2,0,0,0,0|2,0,0]=4 10514 B12R0.46 CC(C)N(C)C(=O)NCCCCO 273464a_100000750430_200000211004 [0,2,0,0,0,0|2,0,0]=4 10515 B12R0.46 CC(C)[C@@H](O)C(=O)CCCCC#N 1458a_100000691806_100000211819 [0,2,0,0,0,0|1,0,1]=4 10516 B12R0.46 CC(C)[C@@H](O)C(=O)CCCCCF 1458a_100000691806_100000729378 [0,2,0,0,0,0|1,0,0]=3 10517 B12R0.46 CC(C)[C@@H](O)C(=O)CCCCCO 1458a_100000691806_100000746330 [0,2,0,0,0,0|1,0,0]=3 10518 B12R0.46 CC(C)[C@@H](O)C(=O)CCOCCO 1458a_100000691806_100011215305 [0,2,0,0,0,0|2,0,0]=4 10519 B12R0.46 CC(C)[C@@H](O)C(=O)NCCCCO 240690a_100000750430_100000691806 [0,2,0,0,0,0|1,0,0]=3 10520 B12R0.46 CC/C=C\CCC(=O)C(C)C(C)C 1458a_100000755409_100015370543 [0,2,0,0,0,0|1,0,1]=4 10521 B12R0.46 CC/C=C\CCC(=O)[C@H](O)C(C)C 1458a_100000691806_100015370543 [0,2,0,0,0,0|1,0,1]=4 10522 B12R0.46 CCCCC=CC(=O)N(C)C(C)C 11a_200000211004_100016266645 [0,2,0,0,0,0|2,0,0]=4 10523 B12R0.46 CCCCC=CC(=O)N(C)C(C)C 1626a_200000211004_100016266645 [0,2,0,0,0,0|2,0,0]=4 10524 B12R0.46 CCCCC=CC(=O)N(C)C(C)C 240690a_200000211004_100016266645 [0,2,0,0,0,0|2,0,0]=4 10525 B12R0.46 CCCCCCC(=O)C(C)C(C)C 1458a_100000755409_100000210757 [0,2,0,0,0,0|1,0,0]=3 10526 B12R0.46 CCCCCCC(=O)N(C)C(C)C 11a_200000211004_100102632555 [0,2,0,0,0,0|2,0,0]=4 10527 B12R0.46 CCCCCCC(=O)N(C)C(C)C 1626a_200000211004_100102632555 [0,2,0,0,0,0|2,0,0]=4 10528 B12R0.46 CCCCCCC(=O)N(C)C(C)C 240690a_200000211004_100102632555 [0,2,0,0,0,0|2,0,0]=4 10529 B12R0.46 CCCCCCC(=O)N(C)C(C)C 527a_200000211004_100102632555 [0,2,0,0,0,0|2,0,0]=4 10530 B12R0.46 CCCCCCC(=O)[C@H](C)N(C)C 1458a_100009822176_100000210757 [0,2,0,0,0,0|2,0,0]=4 10531 B12R0.46 CCCCCCC(=O)[C@H](O)C(C)C 1458a_100000691806_100000210757 [0,2,0,0,0,0|1,0,0]=3 10532 B12R0.46 CCCCCNC(=O)C(C)C(C)C 11a_100000209983_100000755409 [0,2,0,0,0,0|1,0,0]=3 10533 B12R0.46 CCCCCNC(=O)C(C)C(C)C 1626a_100000209983_100000755409 [0,2,0,0,0,0|1,0,0]=3 10534 B12R0.46 CCCCCNC(=O)C(C)C(C)C 240690a_100000209983_100000755409 [0,2,0,0,0,0|1,0,0]=3 10535 B12R0.46 CCCCCNC(=O)C(C)C(C)C 527a_100000209983_100000755409 [0,2,0,0,0,0|1,0,0]=3 10536 B12R0.46 CCCCCNC(=O)C(C)N(C)C 2230a_100102631434_100000735910 [0,2,0,0,0,0|2,0,0]=4 10537 B12R0.46 CCCCCNC(=O)C(C)N(C)C 269982a_100102631434_100000735910 [0,2,0,0,0,0|2,0,0]=4 10538 B12R0.46 CCCCCNC(=O)N(C)C(C)C 2708a_100000209983_200000211004 [0,2,0,0,0,0|2,0,0]=4 10539 B12R0.46 CCCCCNC(=O)N(C)C(C)C 273464a_100000209983_200000211004 [0,2,0,0,0,0|2,0,0]=4 10540 B12R0.46 CCCCCNC(=O)[C@H](C)N(C)C 240690a_100000209983_100009822176 [0,2,0,0,0,0|2,0,0]=4 10541 B12R0.46 CCCCCNC(=O)[C@H](C)N(C)C 527a_100000209983_100009822176 [0,2,0,0,0,0|2,0,0]=4 10542 B12R0.46 CCCCCNC(=O)[C@H](O)C(C)C 240690a_100000209983_100000691806 [0,2,0,0,0,0|1,0,0]=3 10543 B12R0.46 CCCCNCC(=O)N(C)C(C)C 2230a_100000102301_100000230190 [0,2,0,0,0,0|2,0,0]=4 10544 B12R0.46 CCCCNCC(=O)N(C)C(C)C 7a_106832991798_100000230190 [0,2,0,0,0,0|2,0,0]=4 10545 B12R0.46 CCCCNNC(=O)C(C)C(C)C 22a_100025702795_100000755409 [0,2,0,0,0,0|1,0,0]=3 10546 B12R0.46 CCCCNNC(=O)[C@H](C)N(C)C 22a_100025702795_100009822176 [0,2,0,0,0,0|2,0,0]=4 10547 B12R0.46 CCCCNNC(=O)[C@H](O)C(C)C 22a_100025702795_100000691806 [0,2,0,0,0,0|1,0,0]=3 10548 B12R0.46 CCCCOCC(=O)C(=O)N(C)C 1458a_100011218876_100011995733 [0,2,0,0,0,0|1,0,1]=4 10549 B12R0.46 CCCCOCC(=O)C(C)C(=O)C 1458a_100000757543_100000179758 [0,2,0,0,0,0|1,0,1]=4 10550 B12R0.46 CCCCOCC(=O)C(C)C(C)C 1458a_100000755409_100011995733 [0,2,0,0,0,0|0,0,0]=2 10551 B12R0.46 CCCCOCC(=O)N(C)C(C)C 11a_200000211004_100000757543 [0,2,0,0,0,0|1,0,0]=3 10552 B12R0.46 CCCCOCC(=O)N(C)C(C)C 1626a_200000211004_100000757543 [0,2,0,0,0,0|1,0,0]=3 10553 B12R0.46 CCCCOCC(=O)N(C)C(C)C 240690a_200000211004_100000757543 [0,2,0,0,0,0|1,0,0]=3 10554 B12R0.46 CCCCOCC(=O)N(C)C(C)C 34a_100000210227_100000230190 [0,2,0,0,0,0|1,0,0]=3 10555 B12R0.46 CCCCOCC(=O)N(C)C(C)C 527a_200000211004_100000757543 [0,2,0,0,0,0|1,0,0]=3 10556 B12R0.46 CCCCOCC(=O)N(C)C(C)C 7a_100000210227_100000230190 [0,2,0,0,0,0|1,0,0]=3 10557 B12R0.46 CCCCOCC(=O)[C@H](C)N(C)C 1458a_100009822176_100011995733 [0,2,0,0,0,0|1,0,0]=3 10558 B12R0.46 CCCCOCC(=O)[C@H](O)C(C)C 1458a_100000691806_100011995733 [0,2,0,0,0,0|0,0,0]=2 10559 B12R0.46 CCCCOCN(C)C(C)C(C)C 2230a_100000228512_100011995733 [0,2,0,0,0,0|2,0,0]=4 10560 B12R0.46 CCCCOCN(C)C(C)C(C)C 269982a_100000228512_100011995733 [0,2,0,0,0,0|2,0,0]=4 10561 B12R0.46 CCCCSCC(=O)N(C)C(C)C 11a_200000211004_100000191162 [0,2,0,0,0,0|1,1,0]=4 10562 B12R0.46 CCCCSCC(=O)N(C)C(C)C 1626a_200000211004_100000191162 [0,2,0,0,0,0|1,1,0]=4 10563 B12R0.46 CCCCSCC(=O)N(C)C(C)C 240690a_200000211004_100000191162 [0,2,0,0,0,0|1,1,0]=4 10564 B12R0.46 CCCCSCC(=O)N(C)C(C)C 527a_200000211004_100000191162 [0,2,0,0,0,0|1,1,0]=4 10565 B12R0.46 CCCCSCC(=O)N(C)C(C)C 62a_100000210211_100000230190 [0,2,0,0,0,0|1,1,0]=4 10566 B12R0.46 CCCCSCC(=O)N(C)C(C)C 62a_100000230190_100000210210 [0,2,0,0,0,0|1,1,0]=4 10567 B12R0.46 CCCOCCC(=O)C(C)C(C)C 1458a_100000755409_100011215938 [0,2,0,0,0,0|1,0,0]=3 10568 B12R0.46 CCCOCCC(=O)[C@H](C)N(C)C 1458a_100009822176_100011215938 [0,2,0,0,0,0|2,0,0]=4 10569 B12R0.46 CCCOCCC(=O)[C@H](O)C(C)C 1458a_100000691806_100011215938 [0,2,0,0,0,0|1,0,0]=3 10570 B12R0.46 CCOCCCC(=O)C(C)C(C)C 1458a_100000755409_100012232248 [0,2,0,0,0,0|1,0,0]=3 10571 B12R0.46 CCOCCCC(=O)[C@H](C)N(C)C 1458a_100009822176_100012232248 [0,2,0,0,0,0|2,0,0]=4 10572 B12R0.46 CCOCCCC(=O)[C@H](O)C(C)C 1458a_100000691806_100012232248 [0,2,0,0,0,0|1,0,0]=3 10573 B12R0.46 CCOCCNC(=O)C(C)C(C)C 11a_100011200944_100000755409 [0,2,0,0,0,0|1,0,0]=3 10574 B12R0.46 CCOCCNC(=O)C(C)C(C)C 1626a_102516460346_100000755409 [0,2,0,0,0,0|1,0,0]=3 10575 B12R0.46 CCOCCNC(=O)C(C)C(C)C 240690a_100011200944_100000755409 [0,2,0,0,0,0|1,0,0]=3 10576 B12R0.46 CCOCCNC(=O)C(C)C(C)C 527a_100011200944_100000755409 [0,2,0,0,0,0|1,0,0]=3 10577 B12R0.46 CCOCCNC(=O)N(C)C(C)C 2708a_100011200944_200000211004 [0,2,0,0,0,0|2,0,0]=4 10578 B12R0.46 CCOCCNC(=O)N(C)C(C)C 273464a_102516460346_200000211004 [0,2,0,0,0,0|2,0,0]=4 10579 B12R0.46 CCOCCNC(=O)[C@H](C)N(C)C 240690a_100011200944_100009822176 [0,2,0,0,0,0|2,0,0]=4 10580 B12R0.46 CCOCCNC(=O)[C@H](C)N(C)C 527a_100011200944_100009822176 [0,2,0,0,0,0|2,0,0]=4 10581 B12R0.46 CCOCCNC(=O)[C@H](O)C(C)C 240690a_100011200944_100000691806 [0,2,0,0,0,0|1,0,0]=3 10582 B12R0.46 CCSCCNC(=O)C(C)C(C)C 11a_100000106463_100000755409 [0,2,0,0,0,0|1,0,0]=3 10583 B12R0.46 CCSCCNC(=O)C(C)C(C)C 1626a_100000106463_100000755409 [0,2,0,0,0,0|1,0,0]=3 10584 B12R0.46 CCSCCNC(=O)C(C)C(C)C 240690a_100000106463_100000755409 [0,2,0,0,0,0|1,0,0]=3 10585 B12R0.46 CCSCCNC(=O)C(C)C(C)C 527a_100000106463_100000755409 [0,2,0,0,0,0|1,0,0]=3 10586 B12R0.46 CCSCCNC(=O)N(C)C(C)C 2708a_100000106463_200000211004 [0,2,0,0,0,0|2,0,0]=4 10587 B12R0.46 CCSCCNC(=O)N(C)C(C)C 273464a_100000106463_200000211004 [0,2,0,0,0,0|2,0,0]=4 10588 B12R0.46 CCSCCNC(=O)[C@H](C)N(C)C 240690a_100000106463_100009822176 [0,2,0,0,0,0|2,0,0]=4 10589 B12R0.46 CCSCCNC(=O)[C@H](C)N(C)C 527a_100000106463_100009822176 [0,2,0,0,0,0|2,0,0]=4 10590 B12R0.46 CCSCCNC(=O)[C@H](O)C(C)C 240690a_100000106463_100000691806 [0,2,0,0,0,0|1,0,0]=3 10591 B12R0.46 COCCCCC(=O)C(C)C(C)C 1458a_100000755409_100000755781 [0,2,0,0,0,0|1,0,0]=3 10592 B12R0.46 COCCCCC(=O)[C@H](C)N(C)C 1458a_100009822176_100000755781 [0,2,0,0,0,0|2,0,0]=4 10593 B12R0.46 COCCCCC(=O)[C@H](O)C(C)C 1458a_100000691806_100000755781 [0,2,0,0,0,0|1,0,0]=3 10594 B12R0.46 COCCCNC(=O)C(C)C(C)C 1626a_100150723488_100000755409 [0,2,0,0,0,0|1,0,0]=3 10595 B12R0.46 COCCCNC(=O)C(C)C(C)C 240690a_100150723488_100000755409 [0,2,0,0,0,0|1,0,0]=3 10596 B12R0.46 COCCCNC(=O)C(C)C(C)C 527a_100150723488_100000755409 [0,2,0,0,0,0|1,0,0]=3 10597 B12R0.46 COCCCNC(=O)C(C)N(C)C 2230a_100102631434_100000735919 [0,2,0,0,0,0|2,0,0]=4 10598 B12R0.46 COCCCNC(=O)C(C)N(C)C 269982a_100102631434_100000735919 [0,2,0,0,0,0|2,0,0]=4 10599 B12R0.46 COCCCNC(=O)N(C)C(C)C 2708a_100150723488_200000211004 [0,2,0,0,0,0|2,0,0]=4 10600 B12R0.46 COCCCNC(=O)N(C)C(C)C 273464a_100150723488_200000211004 [0,2,0,0,0,0|2,0,0]=4 10601 B12R0.46 COCCCNC(=O)[C@H](C)N(C)C 240690a_100150723488_100009822176 [0,2,0,0,0,0|2,0,0]=4 10602 B12R0.46 COCCCNC(=O)[C@H](C)N(C)C 527a_100150723488_100009822176 [0,2,0,0,0,0|2,0,0]=4 10603 B12R0.46 COCCCNC(=O)[C@H](O)C(C)C 240690a_100150723488_100000691806 [0,2,0,0,0,0|1,0,0]=3 10604 B12R0.46 COCCNNC(=O)C(C)C(C)C 22a_100000741390_100000755409 [0,2,0,0,0,0|2,0,0]=4 10605 B12R0.46 COCCNNC(=O)[C@H](O)C(C)C 22a_100000741390_100000691806 [0,2,0,0,0,0|2,0,0]=4 10606 B12R0.46 COCCOCC(=O)N(C)C(C)C 11a_200000211004_100000211095 [0,2,0,0,0,0|2,0,0]=4 10607 B12R0.46 COCCOCC(=O)N(C)C(C)C 1626a_200000211004_100000211095 [0,2,0,0,0,0|2,0,0]=4 10608 B12R0.46 COCCOCC(=O)N(C)C(C)C 240690a_200000211004_100000211095 [0,2,0,0,0,0|2,0,0]=4 10609 B12R0.46 COCCOCC(=O)N(C)C(C)C 34a_100000210237_100000230190 [0,2,0,0,0,0|2,0,0]=4 10610 B12R0.46 COCCOCC(=O)N(C)C(C)C 527a_200000211004_100000211095 [0,2,0,0,0,0|2,0,0]=4 10611 B12R0.46 CSCCCNC(=O)C(C)C(C)C 11a_100000749238_100000755409 [0,2,0,0,0,0|1,0,0]=3 10612 B12R0.46 CSCCCNC(=O)C(C)C(C)C 1626a_100000749238_100000755409 [0,2,0,0,0,0|1,0,0]=3 10613 B12R0.46 CSCCCNC(=O)C(C)C(C)C 240690a_100000749238_100000755409 [0,2,0,0,0,0|1,0,0]=3 10614 B12R0.46 CSCCCNC(=O)C(C)C(C)C 527a_100000749238_100000755409 [0,2,0,0,0,0|1,0,0]=3 10615 B12R0.46 CSCCCNC(=O)N(C)C(C)C 2708a_100000749238_200000211004 [0,2,0,0,0,0|2,0,0]=4 10616 B12R0.46 CSCCCNC(=O)N(C)C(C)C 273464a_100000749238_200000211004 [0,2,0,0,0,0|2,0,0]=4 10617 B12R0.46 CSCCCNC(=O)[C@H](C)N(C)C 240690a_100000749238_100009822176 [0,2,0,0,0,0|2,0,0]=4 10618 B12R0.46 CSCCCNC(=O)[C@H](C)N(C)C 527a_100000749238_100009822176 [0,2,0,0,0,0|2,0,0]=4 10619 B12R0.46 CSCCCNC(=O)[C@H](O)C(C)C 240690a_100000749238_100000691806 [0,2,0,0,0,0|1,0,0]=3 10620 B12R0.46 CSCCOCC(=O)N(C)C(C)C 34a_100000230434_100000230190 [0,2,0,0,0,0|2,0,0]=4 10621 B12R0.46 CSCCOCC(=O)N(C)C(C)C 7a_100000230434_100000230190 [0,2,0,0,0,0|2,0,0]=4 10622 B12R0.46 C[C@@H](C(=O)CCCCCF)N(C)C 1458a_100009822176_100000729378 [0,2,0,0,0,0|2,0,0]=4 10623 B12R0.46 C[C@@H](C(=O)CCCCCO)N(C)C 1458a_100009822176_100000746330 [0,2,0,0,0,0|2,0,0]=4 10624 B12R0.46 C[C@@H](C(=O)NCCCCO)N(C)C 240690a_100000750430_100009822176 [0,2,0,0,0,0|2,0,0]=4 10625 B12R0.46 C[C@@H](C(=O)NCCCCO)N(C)C 527a_100000750430_100009822176 [0,2,0,0,0,0|2,0,0]=4 10626 B12R0.113 C#CC(C)NC(=O)COCCCC 11a_100000707721_100000757543 [0,2,0,0,0,0|1,0,1]=4 10627 B12R0.113 C#CC(C)NC(=O)COCCCC 1626a_100000707721_100000757543 [0,2,0,0,0,0|1,0,1]=4 10628 B12R0.113 C#CC(C)NC(=O)COCCCC 240690a_100000707721_100000757543 [0,2,0,0,0,0|1,0,1]=4 10629 B12R0.113 C#CC(C)NC(=O)COCCCC 527a_100000707721_100000757543 [0,2,0,0,0,0|1,0,1]=4 10630 B12R0.113 C#CCCCCC(=O)CC(C)CC 1458a_100000696528_100000748023 [0,2,0,0,0,0|1,0,1]=4 10631 B12R0.113 C#CCCCCC(=O)CC(C)CC 1458a_100000708755_100010269958 [0,2,0,0,0,0|1,0,1]=4 10632 B12R0.113 C#CCCCCC(=O)C[C@@H](C)CC 1458a_100000696528_100009816398 [0,2,0,0,0,0|1,0,1]=4 10633 B12R0.113 C#CCCCCC(=O)C[C@@H](C)CO 1458a_100000696528_100000059175 [0,2,0,0,0,0|1,0,1]=4 10634 B12R0.113 C#CCCCNC(=O)CC(C)CC 11a_100000718082_100000708755 [0,2,0,0,0,0|1,0,1]=4 10635 B12R0.113 C#CCCCNC(=O)CC(C)CC 1626a_100000718082_100000708755 [0,2,0,0,0,0|1,0,1]=4 10636 B12R0.113 C#CCCCNC(=O)CC(C)CC 240690a_100000718082_100000708755 [0,2,0,0,0,0|1,0,1]=4 10637 B12R0.113 C#CCCCNC(=O)CC(C)CC 527a_100000718082_100000708755 [0,2,0,0,0,0|1,0,1]=4 10638 B12R0.113 C=CC(C)CC(=O)CCCCCC 1458a_100011934298_100000210757 [0,2,0,0,0,0|1,0,1]=4 10639 B12R0.113 C=CC(C)CC(=O)CCCCCF 1458a_100011934298_100000729378 [0,2,0,0,0,0|1,0,1]=4 10640 B12R0.113 C=CC(C)CC(=O)CCCCCO 1458a_100011934298_100000746330 [0,2,0,0,0,0|1,0,1]=4 10641 B12R0.113 C=CC(C)CC(=O)CCCCOC 1458a_100011934298_100000755781 [0,2,0,0,0,0|1,0,1]=4 10642 B12R0.113 C=CC(C)CC(=O)CCCOCC 1458a_100011934298_100012232248 [0,2,0,0,0,0|1,0,1]=4 10643 B12R0.113 C=CC(C)CC(=O)CCOCCC 1458a_100011934298_100011215938 [0,2,0,0,0,0|1,0,1]=4 10644 B12R0.113 C=CC(C)CC(=O)COCCCC 1458a_100011934298_100011995733 [0,2,0,0,0,0|0,0,1]=3 10645 B12R0.113 C=CC(C)CC(=O)NCCCCC 11a_100000209983_100011934298 [0,2,0,0,0,0|1,0,1]=4 10646 B12R0.113 C=CC(C)CC(=O)NCCCCC 1626a_100000209983_100011934298 [0,2,0,0,0,0|1,0,1]=4 10647 B12R0.113 C=CC(C)CC(=O)NCCCCC 240690a_100000209983_100011934298 [0,2,0,0,0,0|1,0,1]=4 10648 B12R0.113 C=CC(C)CC(=O)NCCCCC 527a_100000209983_100011934298 [0,2,0,0,0,0|1,0,1]=4 10649 B12R0.113 C=CC(C)CC(=O)NCCCCO 240690a_100000750430_100011934298 [0,2,0,0,0,0|1,0,1]=4 10650 B12R0.113 C=CC(C)CC(=O)NCCCCO 527a_100000750430_100011934298 [0,2,0,0,0,0|1,0,1]=4 10651 B12R0.113 C=CC(C)CC(=O)NCCCOC 1626a_100150723488_100011934298 [0,2,0,0,0,0|1,0,1]=4 10652 B12R0.113 C=CC(C)CC(=O)NCCCOC 240690a_100150723488_100011934298 [0,2,0,0,0,0|1,0,1]=4 10653 B12R0.113 C=CC(C)CC(=O)NCCCOC 527a_100150723488_100011934298 [0,2,0,0,0,0|1,0,1]=4 10654 B12R0.113 C=CC(C)CC(=O)NCCCSC 11a_100000749238_100011934298 [0,2,0,0,0,0|1,0,1]=4 10655 B12R0.113 C=CC(C)CC(=O)NCCCSC 1626a_100000749238_100011934298 [0,2,0,0,0,0|1,0,1]=4 10656 B12R0.113 C=CC(C)CC(=O)NCCCSC 240690a_100000749238_100011934298 [0,2,0,0,0,0|1,0,1]=4 10657 B12R0.113 C=CC(C)CC(=O)NCCCSC 527a_100000749238_100011934298 [0,2,0,0,0,0|1,0,1]=4 10658 B12R0.113 C=CC(C)CC(=O)NCCOCC 11a_100011200944_100011934298 [0,2,0,0,0,0|1,0,1]=4 10659 B12R0.113 C=CC(C)CC(=O)NCCOCC 1626a_102516460346_100011934298 [0,2,0,0,0,0|1,0,1]=4 10660 B12R0.113 C=CC(C)CC(=O)NCCOCC 240690a_100011200944_100011934298 [0,2,0,0,0,0|1,0,1]=4 10661 B12R0.113 C=CC(C)CC(=O)NCCOCC 527a_100011200944_100011934298 [0,2,0,0,0,0|1,0,1]=4 10662 B12R0.113 C=CC(C)CC(=O)NCCSCC 11a_100000106463_100011934298 [0,2,0,0,0,0|1,0,1]=4 10663 B12R0.113 C=CC(C)CC(=O)NCCSCC 1626a_100000106463_100011934298 [0,2,0,0,0,0|1,0,1]=4 10664 B12R0.113 C=CC(C)CC(=O)NCCSCC 240690a_100000106463_100011934298 [0,2,0,0,0,0|1,0,1]=4 10665 B12R0.113 C=CC(C)CC(=O)NCCSCC 527a_100000106463_100011934298 [0,2,0,0,0,0|1,0,1]=4 10666 B12R0.113 C=CC(C)CC(=O)NNCCCC 22a_100025702795_100011934298 [0,2,0,0,0,0|1,0,1]=4 10667 B12R0.113 C=CCCCCC(=O)CC(C)CC 1458a_100000708755_100011215482 [0,2,0,0,0,0|1,0,1]=4 10668 B12R0.113 C=CCCCCC(=O)CC(C)CC 1458a_100011215552_100000748023 [0,2,0,0,0,0|1,0,1]=4 10669 B12R0.113 C=CCCCCC(=O)C[C@@H](C)CC 1458a_100011215552_100009816398 [0,2,0,0,0,0|1,0,1]=4 10670 B12R0.113 C=CCCCCC(=O)C[C@@H](C)CO 1458a_100011215552_100000059175 [0,2,0,0,0,0|1,0,1]=4 10671 B12R0.113 C=CCCCNC(=O)CC(C)CC 11a_100000700776_100000708755 [0,2,0,0,0,0|1,0,1]=4 10672 B12R0.113 C=CCCCNC(=O)CC(C)CC 1626a_100000700776_100000708755 [0,2,0,0,0,0|1,0,1]=4 10673 B12R0.113 C=CCCCNC(=O)CC(C)CC 240690a_100000700776_100000708755 [0,2,0,0,0,0|1,0,1]=4 10674 B12R0.113 C=CCCCNC(=O)CC(C)CC 527a_100000700776_100000708755 [0,2,0,0,0,0|1,0,1]=4 10675 B12R0.113 CC/C=C\CCC(=O)CC(C)CC 1458a_100000708755_100015370543 [0,2,0,0,0,0|1,0,1]=4 10676 B12R0.113 CCC(C)CC(=O)CCCCC#N 1458a_100000708755_100000211819 [0,2,0,0,0,0|1,0,1]=4 10677 B12R0.113 CCC(C)CC(=O)CCCCCF 1458a_100000708755_100000729378 [0,2,0,0,0,0|1,0,0]=3 10678 B12R0.113 CCC(C)CC(=O)CCCCCO 1458a_100000708755_100000746330 [0,2,0,0,0,0|1,0,0]=3 10679 B12R0.113 CCC(C)CC(=O)CCCCCO 1458a_100102619762_100000748023 [0,2,0,0,0,0|1,0,0]=3 10680 B12R0.113 CCC(C)CC(=O)CCCCOC 1458a_100000708755_100000755781 [0,2,0,0,0,0|1,0,0]=3 10681 B12R0.113 CCC(C)CC(=O)CCOCCO 1458a_100000708755_100011215305 [0,2,0,0,0,0|2,0,0]=4 10682 B12R0.113 CCC(C)CC(=O)CCOCCO 1458a_100011229844_100000748023 [0,2,0,0,0,0|2,0,0]=4 10683 B12R0.113 CCC(C)CC(=O)COCCOC 1458a_100000211095_100000748023 [0,2,0,0,0,0|1,0,0]=3 10684 B12R0.113 CCC(C)CC(=O)NCCCCO 240690a_100000750430_100000708755 [0,2,0,0,0,0|1,0,0]=3 10685 B12R0.113 CCC(C)CC(=O)NCCCCO 527a_100000750430_100000708755 [0,2,0,0,0,0|1,0,0]=3 10686 B12R0.113 CCC(C)CC(=O)NCCCOC 1626a_100150723488_100000708755 [0,2,0,0,0,0|1,0,0]=3 10687 B12R0.113 CCC(C)CC(=O)NCCCOC 240690a_100150723488_100000708755 [0,2,0,0,0,0|1,0,0]=3 10688 B12R0.113 CCC(C)CC(=O)NCCCOC 527a_100150723488_100000708755 [0,2,0,0,0,0|1,0,0]=3 10689 B12R0.113 CCC(C)CC(=O)NCCCSC 11a_100000749238_100000708755 [0,2,0,0,0,0|1,0,0]=3 10690 B12R0.113 CCC(C)CC(=O)NCCCSC 1626a_100000749238_100000708755 [0,2,0,0,0,0|1,0,0]=3 10691 B12R0.113 CCC(C)CC(=O)NCCCSC 240690a_100000749238_100000708755 [0,2,0,0,0,0|1,0,0]=3 10692 B12R0.113 CCC(C)CC(=O)NCCCSC 527a_100000749238_100000708755 [0,2,0,0,0,0|1,0,0]=3 10693 B12R0.113 CCC(C)CC(=O)NNCCOC 22a_100000741390_100000708755 [0,2,0,0,0,0|2,0,0]=4 10694 B12R0.113 CCC(C)NC(=O)CCCCCO 240690a_100000209981_100102619762 [0,2,0,0,0,0|2,0,0]=4 10695 B12R0.113 CCC(C)NC(=O)COCCCBr 34a_100011217188_100000182745 [0,2,0,0,0,0|2,0,0]=4 10696 B12R0.113 CCC(C)NC(=O)COCCCCl 34a_100000230001_100000182745 [0,2,0,0,0,0|2,0,0]=4 10697 B12R0.113 CCC(C)NC(=O)COCCCF 34a_100000759539_100000182745 [0,2,0,0,0,0|2,0,0]=4 10698 B12R0.113 CCC(C)NC(=O)COCCCN 34a_100000182051_100000182745 [0,2,0,0,0,0|2,0,0]=4 10699 B12R0.113 CCC(C)NC(=O)COCCOC 11a_100000209981_100000211095 [0,2,0,0,0,0|2,0,0]=4 10700 B12R0.113 CCC(C)NC(=O)COCCOC 1626a_100000209981_100000211095 [0,2,0,0,0,0|2,0,0]=4 10701 B12R0.113 CCC(C)NC(=O)COCCOC 240690a_100000209981_100000211095 [0,2,0,0,0,0|2,0,0]=4 10702 B12R0.113 CCC(C)NC(=O)COCCOC 34a_100000210237_100000182745 [0,2,0,0,0,0|2,0,0]=4 10703 B12R0.113 CCC(C)NC(=O)COCCOC 527a_100000209981_100000211095 [0,2,0,0,0,0|2,0,0]=4 10704 B12R0.113 CCC(C)NC(=O)COCCSC 34a_100000230434_100000182745 [0,2,0,0,0,0|2,0,0]=4 10705 B12R0.113 CCC(C)NC(=O)COCCSC 7a_100000230434_100000182745 [0,2,0,0,0,0|2,0,0]=4 10706 B12R0.113 CCC(C)NC(=O)NCCCCO 2708a_100000209981_100000750430 [0,2,0,0,0,0|2,0,0]=4 10707 B12R0.113 CCC(C)NC(=O)NCCCCO 2708a_100000750430_100000209981 [0,2,0,0,0,0|2,0,0]=4 10708 B12R0.113 CCC(C)NC(=O)NCCCCO 273464a_100000209981_100000750430 [0,2,0,0,0,0|2,0,0]=4 10709 B12R0.113 CCC(C)NC(=O)NCCCCO 273464a_100000750430_100000209981 [0,2,0,0,0,0|2,0,0]=4 10710 B12R0.113 CCC(C)NC(=O)NCCCCO 512a_100000209981_100000750430 [0,2,0,0,0,0|2,0,0]=4 10711 B12R0.113 CCC(C)NC(=O)NCCCCO 512a_100000750430_100000209981 [0,2,0,0,0,0|2,0,0]=4 10712 B12R0.113 CCC(C)NC(=O)NCCCOC 2708a_100000209981_100150723488 [0,2,0,0,0,0|2,0,0]=4 10713 B12R0.113 CCC(C)NC(=O)NCCCOC 2708a_100150723488_100000209981 [0,2,0,0,0,0|2,0,0]=4 10714 B12R0.113 CCC(C)NC(=O)NCCCOC 273464a_100000209981_100150723488 [0,2,0,0,0,0|2,0,0]=4 10715 B12R0.113 CCC(C)NC(=O)NCCCOC 273464a_100150723488_100000209981 [0,2,0,0,0,0|2,0,0]=4 10716 B12R0.113 CCC(C)NC(=O)NCCCOC 512a_100000209981_100150723488 [0,2,0,0,0,0|2,0,0]=4 10717 B12R0.113 CCC(C)NC(=O)NCCCSC 2708a_100000209981_100000749238 [0,2,0,0,0,0|2,0,0]=4 10718 B12R0.113 CCC(C)NC(=O)NCCCSC 2708a_100000749238_100000209981 [0,2,0,0,0,0|2,0,0]=4 10719 B12R0.113 CCC(C)NC(=O)NCCCSC 273464a_100000209981_100000749238 [0,2,0,0,0,0|2,0,0]=4 10720 B12R0.113 CCC(C)NC(=O)NCCCSC 273464a_100000749238_100000209981 [0,2,0,0,0,0|2,0,0]=4 10721 B12R0.113 CCC(C)NC(=O)NCCCSC 512a_100000209981_100000749238 [0,2,0,0,0,0|2,0,0]=4 10722 B12R0.113 CCC(C)NC(=O)NCCCSC 512a_100000749238_100000209981 [0,2,0,0,0,0|2,0,0]=4 10723 B12R0.113 CCC(O)CC(=O)CCCCCF 1458a_100011667805_100000729378 [0,2,0,0,0,0|2,0,0]=4 10724 B12R0.113 CCC(O)CC(=O)CCCCCO 1458a_100011667805_100000746330 [0,2,0,0,0,0|2,0,0]=4 10725 B12R0.113 CCC(O)CC(=O)CCCCCO 1458a_100102619762_100011218378 [0,2,0,0,0,0|2,0,0]=4 10726 B12R0.113 CCC(O)CC(=O)CCCCOC 1458a_100011667805_100000755781 [0,2,0,0,0,0|2,0,0]=4 10727 B12R0.113 CCC(O)CC(=O)COCCOC 1458a_100000211095_100011218378 [0,2,0,0,0,0|2,0,0]=4 10728 B12R0.113 CCC(O)CC(=O)NCCCCO 240690a_100000750430_100011667805 [0,2,0,0,0,0|2,0,0]=4 10729 B12R0.113 CCC(O)CC(=O)NCCCOC 1626a_100150723488_100011667805 [0,2,0,0,0,0|2,0,0]=4 10730 B12R0.113 CCC(O)CC(=O)NCCCOC 240690a_100150723488_100011667805 [0,2,0,0,0,0|2,0,0]=4 10731 B12R0.113 CCC(O)CC(=O)NCCCSC 1626a_100000749238_100011667805 [0,2,0,0,0,0|2,0,0]=4 10732 B12R0.113 CCC(O)CC(=O)NCCCSC 240690a_100000749238_100011667805 [0,2,0,0,0,0|2,0,0]=4 10733 B12R0.113 CCC/C=C/CC(=O)CC(C)CC 1458a_200016266809_100000748023 [0,2,0,0,0,0|1,0,1]=4 10734 B12R0.113 CCC/C=C/CC(=O)C[C@@H](C)CC 1458a_200016266809_100009816398 [0,2,0,0,0,0|1,0,1]=4 10735 B12R0.113 CCC/C=C/CC(=O)C[C@@H](C)CO 1458a_200016266809_100000059175 [0,2,0,0,0,0|1,0,1]=4 10736 B12R0.113 CCCCC=CC(=O)CC(C)CC 1458a_100016266645_100000748023 [0,2,0,0,0,0|1,0,0]=3 10737 B12R0.113 CCCCC=CC(=O)CC(O)CC 1458a_100016266645_100011218378 [0,2,0,0,0,0|2,0,0]=4 10738 B12R0.113 CCCCC=CC(=O)C[C@@H](C)CC 1458a_100016266645_100009816398 [0,2,0,0,0,0|1,0,0]=3 10739 B12R0.113 CCCCC=CC(=O)C[C@@H](C)CO 1458a_100016266645_100000059175 [0,2,0,0,0,0|1,0,0]=3 10740 B12R0.113 CCCCC=CC(=O)NC(C)CC 11a_100000209981_100016266645 [0,2,0,0,0,0|2,0,0]=4 10741 B12R0.113 CCCCC=CC(=O)NC(C)CC 1626a_100000209981_100016266645 [0,2,0,0,0,0|2,0,0]=4 10742 B12R0.113 CCCCC=CC(=O)NC(C)CC 240690a_100000209981_100016266645 [0,2,0,0,0,0|2,0,0]=4 10743 B12R0.113 CCCCC=CC(=O)N[C@H](C)CF 11a_100102880703_100016266645 [0,2,0,0,0,0|2,0,0]=4 10744 B12R0.113 CCCCC=CC(=O)N[C@H](C)CF 1626a_100102880703_100016266645 [0,2,0,0,0,0|2,0,0]=4 10745 B12R0.113 CCCCC=CC(=O)N[C@H](C)CF 240690a_100102880703_100016266645 [0,2,0,0,0,0|2,0,0]=4 10746 B12R0.113 CCCCC=CC(=O)N[C@H](C)CO 240690a_100000737577_100016266645 [0,2,0,0,0,0|2,0,0]=4 10747 B12R0.113 CCCCCCC(=O)CC(C)CC 1458a_100000708755_100000210757 [0,2,0,0,0,0|1,0,0]=3 10748 B12R0.113 CCCCCCC(=O)CC(C)CC 1458a_100102632555_100000748023 [0,2,0,0,0,0|1,0,0]=3 10749 B12R0.113 CCCCCCC(=O)CC(O)CC 1458a_100011667805_100000210757 [0,2,0,0,0,0|2,0,0]=4 10750 B12R0.113 CCCCCCC(=O)CC(O)CC 1458a_100102632555_100011218378 [0,2,0,0,0,0|2,0,0]=4 10751 B12R0.113 CCCCCCC(=O)CN(C)CC 1458a_100116209913_100000210757 [0,2,0,0,0,0|2,0,0]=4 10752 B12R0.113 CCCCCCC(=O)C[C@@H](C)CC 1458a_100102632555_100009816398 [0,2,0,0,0,0|1,0,0]=3 10753 B12R0.113 CCCCCCC(=O)C[C@@H](C)CO 1458a_100102632555_100000059175 [0,2,0,0,0,0|1,0,0]=3 10754 B12R0.113 CCCCCCC(=O)NC(C)CC 11a_100000209981_100102632555 [0,2,0,0,0,0|2,0,0]=4 10755 B12R0.113 CCCCCCC(=O)NC(C)CC 1626a_100000209981_100102632555 [0,2,0,0,0,0|2,0,0]=4 10756 B12R0.113 CCCCCCC(=O)NC(C)CC 240690a_100000209981_100102632555 [0,2,0,0,0,0|2,0,0]=4 10757 B12R0.113 CCCCCCC(=O)NC(C)CC 527a_100000209981_100102632555 [0,2,0,0,0,0|2,0,0]=4 10758 B12R0.113 CCCCCCC(=O)N[C@H](C)CF 11a_100102880703_100102632555 [0,2,0,0,0,0|2,0,0]=4 10759 B12R0.113 CCCCCCC(=O)N[C@H](C)CF 1626a_100102880703_100102632555 [0,2,0,0,0,0|2,0,0]=4 10760 B12R0.113 CCCCCCC(=O)N[C@H](C)CF 240690a_100102880703_100102632555 [0,2,0,0,0,0|2,0,0]=4 10761 B12R0.113 CCCCCCC(=O)N[C@H](C)CF 527a_100102880703_100102632555 [0,2,0,0,0,0|2,0,0]=4 10762 B12R0.113 CCCCCCC(=O)N[C@H](C)CO 240690a_100000737577_100102632555 [0,2,0,0,0,0|2,0,0]=4 10763 B12R0.113 CCCCCCC(=O)N[C@H](C)CO 527a_100000737577_100102632555 [0,2,0,0,0,0|2,0,0]=4 10764 B12R0.113 CCCCCNC(=O)CC(C)CC 11a_100000209983_100000708755 [0,2,0,0,0,0|1,0,0]=3 10765 B12R0.113 CCCCCNC(=O)CC(C)CC 1626a_100000209983_100000708755 [0,2,0,0,0,0|1,0,0]=3 10766 B12R0.113 CCCCCNC(=O)CC(C)CC 240690a_100000209983_100000708755 [0,2,0,0,0,0|1,0,0]=3 10767 B12R0.113 CCCCCNC(=O)CC(C)CC 527a_100000209983_100000708755 [0,2,0,0,0,0|1,0,0]=3 10768 B12R0.113 CCCCCNC(=O)CC(O)CC 1626a_100000209983_100011667805 [0,2,0,0,0,0|2,0,0]=4 10769 B12R0.113 CCCCCNC(=O)CC(O)CC 240690a_100000209983_100011667805 [0,2,0,0,0,0|2,0,0]=4 10770 B12R0.113 CCCCCNC(=O)CN(C)CC 2230a_100000225621_100000230301 [0,2,0,0,0,0|2,0,0]=4 10771 B12R0.113 CCCCCNC(=O)CN(C)CC 240690a_100000209983_100116209913 [0,2,0,0,0,0|2,0,0]=4 10772 B12R0.113 CCCCCNC(=O)CN(C)CC 269982a_100000225621_100000230301 [0,2,0,0,0,0|2,0,0]=4 10773 B12R0.113 CCCCCNC(=O)CN(C)CC 527a_100000209983_100116209913 [0,2,0,0,0,0|2,0,0]=4 10774 B12R0.113 CCCCCNC(=O)NC(C)CC 2708a_100000209981_100000209983 [0,2,0,0,0,0|2,0,0]=4 10775 B12R0.113 CCCCCNC(=O)NC(C)CC 2708a_100000209983_100000209981 [0,2,0,0,0,0|2,0,0]=4 10776 B12R0.113 CCCCCNC(=O)NC(C)CC 273464a_100000209981_100000209983 [0,2,0,0,0,0|2,0,0]=4 10777 B12R0.113 CCCCCNC(=O)NC(C)CC 273464a_100000209983_100000209981 [0,2,0,0,0,0|2,0,0]=4 10778 B12R0.113 CCCCCNC(=O)NC(C)CC 512a_100000209981_100000209983 [0,2,0,0,0,0|2,0,0]=4 10779 B12R0.113 CCCCCNC(=O)NC(C)CC 512a_100000209983_100000209981 [0,2,0,0,0,0|2,0,0]=4 10780 B12R0.113 CCCCCNC(=O)N[C@H](C)CF 2708a_100000209983_100102880703 [0,2,0,0,0,0|2,0,0]=4 10781 B12R0.113 CCCCCNC(=O)N[C@H](C)CF 273464a_100000209983_100102880703 [0,2,0,0,0,0|2,0,0]=4 10782 B12R0.113 CCCCCNC(=O)N[C@H](C)CF 273464a_100102880703_100000209983 [0,2,0,0,0,0|2,0,0]=4 10783 B12R0.113 CCCCCNC(=O)N[C@H](C)CF 512a_100000209983_100102880703 [0,2,0,0,0,0|2,0,0]=4 10784 B12R0.113 CCCCCNC(=O)N[C@H](C)CF 512a_100102880703_100000209983 [0,2,0,0,0,0|2,0,0]=4 10785 B12R0.113 CCCCCNC(=O)N[C@H](C)CO 2708a_100000209983_100000737577 [0,2,0,0,0,0|2,0,0]=4 10786 B12R0.113 CCCCCNC(=O)N[C@H](C)CO 273464a_100000737577_100000209983 [0,2,0,0,0,0|2,0,0]=4 10787 B12R0.113 CCCCCNC(=O)N[C@H](C)CO 512a_100000209983_100000737577 [0,2,0,0,0,0|2,0,0]=4 10788 B12R0.113 CCCCCNC(=O)N[C@H](C)CO 512a_100000737577_100000209983 [0,2,0,0,0,0|2,0,0]=4 10789 B12R0.113 CCCCNCC(=O)NC(C)CC 2230a_100000102301_100000182745 [0,2,0,0,0,0|2,0,0]=4 10790 B12R0.113 CCCCNCC(=O)NC(C)CC 7a_106832991798_100000182745 [0,2,0,0,0,0|2,0,0]=4 10791 B12R0.113 CCCCNN=C(C)CC(C)CC 4a_100025702795_100011710205 [0,2,0,0,0,0|2,0,0]=4 10792 B12R0.113 CCCCNNC(=O)CC(C)CC 22a_100025702795_100000708755 [0,2,0,0,0,0|1,0,0]=3 10793 B12R0.113 CCCCNNC(=O)CC(O)CC 22a_100025702795_100011667805 [0,2,0,0,0,0|2,0,0]=4 10794 B12R0.113 CCCCNNC(=O)CN(C)CC 22a_100025702795_100116209913 [0,2,0,0,0,0|2,0,0]=4 10795 B12R0.113 CCCCNNC(=O)NC(C)CC 273464a_100000209981_100025702795 [0,2,0,0,0,0|2,0,0]=4 10796 B12R0.113 CCCCNNC(=O)NC(C)CC 512a_100000209981_100025702795 [0,2,0,0,0,0|2,0,0]=4 10797 B12R0.113 CCCCNNC(=O)NC(C)CC 512a_100025702795_100000209981 [0,2,0,0,0,0|2,0,0]=4 10798 B12R0.113 CCCCNNC(=O)N[C@H](C)CF 273464a_100102880703_100025702795 [0,2,0,0,0,0|2,0,0]=4 10799 B12R0.113 CCCCNNC(=O)N[C@H](C)CF 512a_100025702795_100102880703 [0,2,0,0,0,0|2,0,0]=4 10800 B12R0.113 CCCCNNC(=O)N[C@H](C)CF 512a_100102880703_100025702795 [0,2,0,0,0,0|2,0,0]=4 10801 B12R0.113 CCCCNNC(=O)N[C@H](C)CO 273464a_100000737577_100025702795 [0,2,0,0,0,0|2,0,0]=4 10802 B12R0.113 CCCCNNC(=O)N[C@H](C)CO 512a_100000737577_100025702795 [0,2,0,0,0,0|2,0,0]=4 10803 B12R0.113 CCCCNNC(=O)N[C@H](C)CO 512a_100025702795_100000737577 [0,2,0,0,0,0|2,0,0]=4 10804 B12R0.113 CCCCOCC(=O)C=C(C)CC 1458a_100020758463_100011995733 [0,2,0,0,0,0|0,0,2]=4 10805 B12R0.113 CCCCOCC(=O)CC(=O)CC 1458a_100000757543_100000747405 [0,2,0,0,0,0|1,0,1]=4 10806 B12R0.113 CCCCOCC(=O)CC(=O)NC 1458a_100000757543_100000183359 [0,2,0,0,0,0|1,0,1]=4 10807 B12R0.113 CCCCOCC(=O)CC(=O)OC 1458a_100000211351_100011995733 [0,2,0,0,0,0|1,0,1]=4 10808 B12R0.113 CCCCOCC(=O)CC(=O)OC 1458a_100000757543_100000747449 [0,2,0,0,0,0|1,0,1]=4 10809 B12R0.113 CCCCOCC(=O)CC(C)CC 1458a_100000708755_100011995733 [0,2,0,0,0,0|0,0,0]=2 10810 B12R0.113 CCCCOCC(=O)CC(C)CC 1458a_100000757543_100000748023 [0,2,0,0,0,0|0,0,0]=2 10811 B12R0.113 CCCCOCC(=O)CC(O)CC 1458a_100000757543_100011218378 [0,2,0,0,0,0|1,0,0]=3 10812 B12R0.113 CCCCOCC(=O)CC(O)CC 1458a_100011667805_100011995733 [0,2,0,0,0,0|1,0,0]=3 10813 B12R0.113 CCCCOCC(=O)CN(C)CC 1458a_100116209913_100011995733 [0,2,0,0,0,0|1,0,0]=3 10814 B12R0.113 CCCCOCC(=O)C[C@@H](C)CC 1458a_100000757543_100009816398 [0,2,0,0,0,0|0,0,0]=2 10815 B12R0.113 CCCCOCC(=O)C[C@@H](C)CO 1458a_100000757543_100000059175 [0,2,0,0,0,0|0,0,0]=2 10816 B12R0.113 CCCCOCC(=O)NC(C)C#N 11a_100000737613_100000757543 [0,2,0,0,0,0|1,0,1]=4 10817 B12R0.113 CCCCOCC(=O)NC(C)C#N 1626a_100000737613_100000757543 [0,2,0,0,0,0|1,0,1]=4 10818 B12R0.113 CCCCOCC(=O)NC(C)C#N 527a_100000737613_100000757543 [0,2,0,0,0,0|1,0,1]=4 10819 B12R0.113 CCCCOCC(=O)NC(C)CC 11a_100000209981_100000757543 [0,2,0,0,0,0|1,0,0]=3 10820 B12R0.113 CCCCOCC(=O)NC(C)CC 1626a_100000209981_100000757543 [0,2,0,0,0,0|1,0,0]=3 10821 B12R0.113 CCCCOCC(=O)NC(C)CC 240690a_100000209981_100000757543 [0,2,0,0,0,0|1,0,0]=3 10822 B12R0.113 CCCCOCC(=O)NC(C)CC 34a_100000210227_100000182745 [0,2,0,0,0,0|1,0,0]=3 10823 B12R0.113 CCCCOCC(=O)NC(C)CC 527a_100000209981_100000757543 [0,2,0,0,0,0|1,0,0]=3 10824 B12R0.113 CCCCOCC(=O)NC(C)CC 7a_100000210227_100000182745 [0,2,0,0,0,0|1,0,0]=3 10825 B12R0.113 CCCCOCC(=O)N[C@H](C)CF 11a_100102880703_100000757543 [0,2,0,0,0,0|1,0,0]=3 10826 B12R0.113 CCCCOCC(=O)N[C@H](C)CF 1626a_100102880703_100000757543 [0,2,0,0,0,0|1,0,0]=3 10827 B12R0.113 CCCCOCC(=O)N[C@H](C)CF 240690a_100102880703_100000757543 [0,2,0,0,0,0|1,0,0]=3 10828 B12R0.113 CCCCOCC(=O)N[C@H](C)CF 527a_100102880703_100000757543 [0,2,0,0,0,0|1,0,0]=3 10829 B12R0.113 CCCCOCC(=O)N[C@H](C)CO 240690a_100000737577_100000757543 [0,2,0,0,0,0|1,0,0]=3 10830 B12R0.113 CCCCOCC(=O)N[C@H](C)CO 527a_100000737577_100000757543 [0,2,0,0,0,0|1,0,0]=3 10831 B12R0.113 CCCCOCN(C)CC(C)CC 2230a_100000753921_100011995733 [0,2,0,0,0,0|2,0,0]=4 10832 B12R0.113 CCCCOCN(C)CC(C)CC 269982a_100000753921_100011995733 [0,2,0,0,0,0|2,0,0]=4 10833 B12R0.113 CCCCSCC(=O)CC(C)CC 1458a_100000191162_100000748023 [0,2,0,0,0,0|0,1,0]=3 10834 B12R0.113 CCCCSCC(=O)CC(O)CC 1458a_100000191162_100011218378 [0,2,0,0,0,0|1,1,0]=4 10835 B12R0.113 CCCCSCC(=O)C[C@@H](C)CC 1458a_100000191162_100009816398 [0,2,0,0,0,0|0,1,0]=3 10836 B12R0.113 CCCCSCC(=O)C[C@@H](C)CO 1458a_100000191162_100000059175 [0,2,0,0,0,0|0,1,0]=3 10837 B12R0.113 CCCCSCC(=O)NC(C)CC 11a_100000209981_100000191162 [0,2,0,0,0,0|1,1,0]=4 10838 B12R0.113 CCCCSCC(=O)NC(C)CC 1626a_100000209981_100000191162 [0,2,0,0,0,0|1,1,0]=4 10839 B12R0.113 CCCCSCC(=O)NC(C)CC 240690a_100000209981_100000191162 [0,2,0,0,0,0|1,1,0]=4 10840 B12R0.113 CCCCSCC(=O)NC(C)CC 527a_100000209981_100000191162 [0,2,0,0,0,0|1,1,0]=4 10841 B12R0.113 CCCCSCC(=O)NC(C)CC 62a_100000182745_100000210210 [0,2,0,0,0,0|1,1,0]=4 10842 B12R0.113 CCCCSCC(=O)NC(C)CC 62a_100000210211_100000182745 [0,2,0,0,0,0|1,1,0]=4 10843 B12R0.113 CCCCSCC(=O)N[C@H](C)CF 11a_100102880703_100000191162 [0,2,0,0,0,0|1,1,0]=4 10844 B12R0.113 CCCCSCC(=O)N[C@H](C)CF 1626a_100102880703_100000191162 [0,2,0,0,0,0|1,1,0]=4 10845 B12R0.113 CCCCSCC(=O)N[C@H](C)CF 240690a_100102880703_100000191162 [0,2,0,0,0,0|1,1,0]=4 10846 B12R0.113 CCCCSCC(=O)N[C@H](C)CF 527a_100102880703_100000191162 [0,2,0,0,0,0|1,1,0]=4 10847 B12R0.113 CCCCSCC(=O)N[C@H](C)CO 240690a_100000737577_100000191162 [0,2,0,0,0,0|1,1,0]=4 10848 B12R0.113 CCCCSCC(=O)N[C@H](C)CO 527a_100000737577_100000191162 [0,2,0,0,0,0|1,1,0]=4 10849 B12R0.113 CCCOCCC(=O)CC(C)CC 1458a_100000708755_100011215938 [0,2,0,0,0,0|1,0,0]=3 10850 B12R0.113 CCCOCCC(=O)CC(O)CC 1458a_100011667805_100011215938 [0,2,0,0,0,0|2,0,0]=4 10851 B12R0.113 CCCOCCC(=O)CN(C)CC 1458a_100116209913_100011215938 [0,2,0,0,0,0|2,0,0]=4 10852 B12R0.113 CCN(C)CC(=O)CCCCCF 1458a_100116209913_100000729378 [0,2,0,0,0,0|2,0,0]=4 10853 B12R0.113 CCN(C)CC(=O)CCCCCO 1458a_100116209913_100000746330 [0,2,0,0,0,0|2,0,0]=4 10854 B12R0.113 CCN(C)CC(=O)CCCCOC 1458a_100116209913_100000755781 [0,2,0,0,0,0|2,0,0]=4 10855 B12R0.113 CCN(C)CC(=O)NCCCCO 240690a_100000750430_100116209913 [0,2,0,0,0,0|2,0,0]=4 10856 B12R0.113 CCN(C)CC(=O)NCCCCO 527a_100000750430_100116209913 [0,2,0,0,0,0|2,0,0]=4 10857 B12R0.113 CCN(C)CC(=O)NCCCOC 2230a_100000168148_100000210202 [0,2,0,0,0,0|2,0,0]=4 10858 B12R0.113 CCN(C)CC(=O)NCCCOC 2230a_100000225621_100000183178 [0,2,0,0,0,0|2,0,0]=4 10859 B12R0.113 CCN(C)CC(=O)NCCCOC 240690a_100150723488_100116209913 [0,2,0,0,0,0|2,0,0]=4 10860 B12R0.113 CCN(C)CC(=O)NCCCOC 269982a_100000168148_100000204670 [0,2,0,0,0,0|2,0,0]=4 10861 B12R0.113 CCN(C)CC(=O)NCCCOC 269982a_100000225621_100000183178 [0,2,0,0,0,0|2,0,0]=4 10862 B12R0.113 CCN(C)CC(=O)NCCCOC 527a_100150723488_100116209913 [0,2,0,0,0,0|2,0,0]=4 10863 B12R0.113 CCN(C)CC(=O)NCCCSC 240690a_100000749238_100116209913 [0,2,0,0,0,0|2,0,0]=4 10864 B12R0.113 CCN(C)CC(=O)NCCCSC 527a_100000749238_100116209913 [0,2,0,0,0,0|2,0,0]=4 10865 B12R0.113 CCOCCCC(=O)CC(C)CC 1458a_100000708755_100012232248 [0,2,0,0,0,0|1,0,0]=3 10866 B12R0.113 CCOCCCC(=O)CC(O)CC 1458a_100011667805_100012232248 [0,2,0,0,0,0|2,0,0]=4 10867 B12R0.113 CCOCCCC(=O)CN(C)CC 1458a_100116209913_100012232248 [0,2,0,0,0,0|2,0,0]=4 10868 B12R0.113 CCOCCNC(=O)CC(C)CC 11a_100011200944_100000708755 [0,2,0,0,0,0|1,0,0]=3 10869 B12R0.113 CCOCCNC(=O)CC(C)CC 1626a_102516460346_100000708755 [0,2,0,0,0,0|1,0,0]=3 10870 B12R0.113 CCOCCNC(=O)CC(C)CC 240690a_100011200944_100000708755 [0,2,0,0,0,0|1,0,0]=3 10871 B12R0.113 CCOCCNC(=O)CC(C)CC 527a_100011200944_100000708755 [0,2,0,0,0,0|1,0,0]=3 10872 B12R0.113 CCOCCNC(=O)CC(O)CC 1626a_102516460346_100011667805 [0,2,0,0,0,0|2,0,0]=4 10873 B12R0.113 CCOCCNC(=O)CC(O)CC 240690a_100011200944_100011667805 [0,2,0,0,0,0|2,0,0]=4 10874 B12R0.113 CCOCCNC(=O)CN(C)CC 240690a_100011200944_100116209913 [0,2,0,0,0,0|2,0,0]=4 10875 B12R0.113 CCOCCNC(=O)CN(C)CC 527a_100011200944_100116209913 [0,2,0,0,0,0|2,0,0]=4 10876 B12R0.113 CCOCCNC(=O)NC(C)CC 2708a_100000209981_100011200944 [0,2,0,0,0,0|2,0,0]=4 10877 B12R0.113 CCOCCNC(=O)NC(C)CC 2708a_100011200944_100000209981 [0,2,0,0,0,0|2,0,0]=4 10878 B12R0.113 CCOCCNC(=O)NC(C)CC 273464a_100000209981_102516460346 [0,2,0,0,0,0|2,0,0]=4 10879 B12R0.113 CCOCCNC(=O)NC(C)CC 273464a_102516460346_100000209981 [0,2,0,0,0,0|2,0,0]=4 10880 B12R0.113 CCOCCNC(=O)NC(C)CC 512a_100000209981_100011200944 [0,2,0,0,0,0|2,0,0]=4 10881 B12R0.113 CCOCCNC(=O)NC(C)CC 512a_100011200944_100000209981 [0,2,0,0,0,0|2,0,0]=4 10882 B12R0.113 CCOCCNC(=O)N[C@H](C)CF 2708a_100011200944_100102880703 [0,2,0,0,0,0|2,0,0]=4 10883 B12R0.113 CCOCCNC(=O)N[C@H](C)CF 273464a_100102880703_102516460346 [0,2,0,0,0,0|2,0,0]=4 10884 B12R0.113 CCOCCNC(=O)N[C@H](C)CF 273464a_102516460346_100102880703 [0,2,0,0,0,0|2,0,0]=4 10885 B12R0.113 CCOCCNC(=O)N[C@H](C)CF 512a_100011200944_100102880703 [0,2,0,0,0,0|2,0,0]=4 10886 B12R0.113 CCOCCNC(=O)N[C@H](C)CF 512a_100102880703_100011200944 [0,2,0,0,0,0|2,0,0]=4 10887 B12R0.113 CCOCCNC(=O)N[C@H](C)CO 2708a_100011200944_100000737577 [0,2,0,0,0,0|2,0,0]=4 10888 B12R0.113 CCOCCNC(=O)N[C@H](C)CO 273464a_100000737577_102516460346 [0,2,0,0,0,0|2,0,0]=4 10889 B12R0.113 CCOCCNC(=O)N[C@H](C)CO 512a_100000737577_100011200944 [0,2,0,0,0,0|2,0,0]=4 10890 B12R0.113 CCOCCNC(=O)N[C@H](C)CO 512a_100011200944_100000737577 [0,2,0,0,0,0|2,0,0]=4 10891 B12R0.113 CCOCCOC(=O)CC(=O)CC 1458a_100000210414_200000101388 [0,2,0,0,0,0|1,0,1]=4 10892 B12R0.113 CCOCCOC(=O)CC(=O)CO 1458a_100000210174_200000101388 [0,2,0,0,0,0|1,0,1]=4 10893 B12R0.113 CCOCCOC(=O)CN(C)CC 2230a_100000225621_200000101388 [0,2,0,0,0,0|1,0,0]=3 10894 B12R0.113 CCOCCOC(=O)CN(C)CC 269982a_100000225621_200000101388 [0,2,0,0,0,0|1,0,0]=3 10895 B12R0.113 CCSCCNC(=O)CC(C)CC 11a_100000106463_100000708755 [0,2,0,0,0,0|1,0,0]=3 10896 B12R0.113 CCSCCNC(=O)CC(C)CC 1626a_100000106463_100000708755 [0,2,0,0,0,0|1,0,0]=3 10897 B12R0.113 CCSCCNC(=O)CC(C)CC 240690a_100000106463_100000708755 [0,2,0,0,0,0|1,0,0]=3 10898 B12R0.113 CCSCCNC(=O)CC(C)CC 527a_100000106463_100000708755 [0,2,0,0,0,0|1,0,0]=3 10899 B12R0.113 CCSCCNC(=O)CC(O)CC 1626a_100000106463_100011667805 [0,2,0,0,0,0|2,0,0]=4 10900 B12R0.113 CCSCCNC(=O)CC(O)CC 240690a_100000106463_100011667805 [0,2,0,0,0,0|2,0,0]=4 10901 B12R0.113 CCSCCNC(=O)CN(C)CC 240690a_100000106463_100116209913 [0,2,0,0,0,0|2,0,0]=4 10902 B12R0.113 CCSCCNC(=O)CN(C)CC 527a_100000106463_100116209913 [0,2,0,0,0,0|2,0,0]=4 10903 B12R0.113 CCSCCNC(=O)NC(C)CC 2708a_100000106463_100000209981 [0,2,0,0,0,0|2,0,0]=4 10904 B12R0.113 CCSCCNC(=O)NC(C)CC 2708a_100000209981_100000106463 [0,2,0,0,0,0|2,0,0]=4 10905 B12R0.113 CCSCCNC(=O)NC(C)CC 273464a_100000106463_100000209981 [0,2,0,0,0,0|2,0,0]=4 10906 B12R0.113 CCSCCNC(=O)NC(C)CC 273464a_100000209981_100000106463 [0,2,0,0,0,0|2,0,0]=4 10907 B12R0.113 CCSCCNC(=O)NC(C)CC 512a_100000106463_100000209981 [0,2,0,0,0,0|2,0,0]=4 10908 B12R0.113 CCSCCNC(=O)NC(C)CC 512a_100000209981_100000106463 [0,2,0,0,0,0|2,0,0]=4 10909 B12R0.113 CCSCCNC(=O)N[C@H](C)CF 2708a_100000106463_100102880703 [0,2,0,0,0,0|2,0,0]=4 10910 B12R0.113 CCSCCNC(=O)N[C@H](C)CF 273464a_100000106463_100102880703 [0,2,0,0,0,0|2,0,0]=4 10911 B12R0.113 CCSCCNC(=O)N[C@H](C)CF 273464a_100102880703_100000106463 [0,2,0,0,0,0|2,0,0]=4 10912 B12R0.113 CCSCCNC(=O)N[C@H](C)CF 512a_100000106463_100102880703 [0,2,0,0,0,0|2,0,0]=4 10913 B12R0.113 CCSCCNC(=O)N[C@H](C)CF 512a_100102880703_100000106463 [0,2,0,0,0,0|2,0,0]=4 10914 B12R0.113 CCSCCNC(=O)N[C@H](C)CO 2708a_100000106463_100000737577 [0,2,0,0,0,0|2,0,0]=4 10915 B12R0.113 CCSCCNC(=O)N[C@H](C)CO 273464a_100000737577_100000106463 [0,2,0,0,0,0|2,0,0]=4 10916 B12R0.113 CCSCCNC(=O)N[C@H](C)CO 512a_100000106463_100000737577 [0,2,0,0,0,0|2,0,0]=4 10917 B12R0.113 CCSCCNC(=O)N[C@H](C)CO 512a_100000737577_100000106463 [0,2,0,0,0,0|2,0,0]=4 10918 B12R0.113 CC[C@H](C)CC(=O)CCCCCO 1458a_100102619762_100009816398 [0,2,0,0,0,0|1,0,0]=3 10919 B12R0.113 CC[C@H](C)CC(=O)CCOCCO 1458a_100011229844_100009816398 [0,2,0,0,0,0|2,0,0]=4 10920 B12R0.113 CC[C@H](C)CC(=O)COCCOC 1458a_100000211095_100009816398 [0,2,0,0,0,0|1,0,0]=3 10921 B12R0.113 COCCCNC(=O)CN(C)CF 269982a_100000168148_100015361967 [0,2,0,0,0,0|2,0,0]=4 10922 B12R0.113 COCCCNC(=O)N[C@H](C)CF 2708a_100150723488_100102880703 [0,2,0,0,0,0|2,0,0]=4 10923 B12R0.113 COCCCNC(=O)N[C@H](C)CF 273464a_100102880703_100150723488 [0,2,0,0,0,0|2,0,0]=4 10924 B12R0.113 COCCCNC(=O)N[C@H](C)CF 273464a_100150723488_100102880703 [0,2,0,0,0,0|2,0,0]=4 10925 B12R0.113 COCCCNC(=O)N[C@H](C)CF 512a_100102880703_100150723488 [0,2,0,0,0,0|2,0,0]=4 10926 B12R0.113 COCCCNC(=O)N[C@H](C)CO 2708a_100150723488_100000737577 [0,2,0,0,0,0|2,0,0]=4 10927 B12R0.113 COCCCNC(=O)N[C@H](C)CO 273464a_100000737577_100150723488 [0,2,0,0,0,0|2,0,0]=4 10928 B12R0.113 COCCCNC(=O)N[C@H](C)CO 512a_100000737577_100150723488 [0,2,0,0,0,0|2,0,0]=4 10929 B12R0.113 COCCOCC(=O)C[C@@H](C)CO 1458a_100000211095_100000059175 [0,2,0,0,0,0|1,0,0]=3 10930 B12R0.113 COCCOCC(=O)N[C@H](C)CF 11a_100102880703_100000211095 [0,2,0,0,0,0|2,0,0]=4 10931 B12R0.113 COCCOCC(=O)N[C@H](C)CF 1626a_100102880703_100000211095 [0,2,0,0,0,0|2,0,0]=4 10932 B12R0.113 COCCOCC(=O)N[C@H](C)CF 240690a_100102880703_100000211095 [0,2,0,0,0,0|2,0,0]=4 10933 B12R0.113 COCCOCC(=O)N[C@H](C)CF 527a_100102880703_100000211095 [0,2,0,0,0,0|2,0,0]=4 10934 B12R0.113 COCCOCC(=O)N[C@H](C)CO 240690a_100000737577_100000211095 [0,2,0,0,0,0|2,0,0]=4 10935 B12R0.113 COCCOCC(=O)N[C@H](C)CO 527a_100000737577_100000211095 [0,2,0,0,0,0|2,0,0]=4 10936 B12R0.113 CSCCCNC(=O)N[C@H](C)CF 2708a_100000749238_100102880703 [0,2,0,0,0,0|2,0,0]=4 10937 B12R0.113 CSCCCNC(=O)N[C@H](C)CF 273464a_100000749238_100102880703 [0,2,0,0,0,0|2,0,0]=4 10938 B12R0.113 CSCCCNC(=O)N[C@H](C)CF 273464a_100102880703_100000749238 [0,2,0,0,0,0|2,0,0]=4 10939 B12R0.113 CSCCCNC(=O)N[C@H](C)CF 512a_100000749238_100102880703 [0,2,0,0,0,0|2,0,0]=4 10940 B12R0.113 CSCCCNC(=O)N[C@H](C)CF 512a_100102880703_100000749238 [0,2,0,0,0,0|2,0,0]=4 10941 B12R0.113 CSCCCNC(=O)N[C@H](C)CO 2708a_100000749238_100000737577 [0,2,0,0,0,0|2,0,0]=4 10942 B12R0.113 CSCCCNC(=O)N[C@H](C)CO 273464a_100000737577_100000749238 [0,2,0,0,0,0|2,0,0]=4 10943 B12R0.113 CSCCCNC(=O)N[C@H](C)CO 512a_100000737577_100000749238 [0,2,0,0,0,0|2,0,0]=4 10944 B12R0.113 CSCCCNC(=O)N[C@H](C)CO 512a_100000749238_100000737577 [0,2,0,0,0,0|2,0,0]=4 10945 B12R0.113 C[C@@H](CO)CC(=O)CCCCCO 1458a_100102619762_100000059175 [0,2,0,0,0,0|1,0,0]=3 10946 B12R0.113 C[C@@H](CO)CC(=O)CCOCCO 1458a_100011229844_100000059175 [0,2,0,0,0,0|2,0,0]=4 10947 B12R0.113 C[C@H](CF)NC(=O)CCCCCO 240690a_100102880703_100102619762 [0,2,0,0,0,0|2,0,0]=4 10948 B12R0.113 C[C@H](CF)NC(=O)NCCCCO 2708a_100000750430_100102880703 [0,2,0,0,0,0|2,0,0]=4 10949 B12R0.113 C[C@H](CF)NC(=O)NCCCCO 273464a_100000750430_100102880703 [0,2,0,0,0,0|2,0,0]=4 10950 B12R0.113 C[C@H](CF)NC(=O)NCCCCO 273464a_100102880703_100000750430 [0,2,0,0,0,0|2,0,0]=4 10951 B12R0.113 C[C@H](CF)NC(=O)NCCCCO 512a_100000750430_100102880703 [0,2,0,0,0,0|2,0,0]=4 10952 B12R0.113 C[C@H](CF)NC(=O)NCCCCO 512a_100102880703_100000750430 [0,2,0,0,0,0|2,0,0]=4 10953 B12R0.113 C[C@H](CO)NC(=O)CCCCCO 240690a_100000737577_100102619762 [0,2,0,0,0,0|2,0,0]=4 10954 B12R0.113 C[C@H](CO)NC(=O)NCCCCO 2708a_100000750430_100000737577 [0,2,0,0,0,0|2,0,0]=4 10955 B12R0.113 C[C@H](CO)NC(=O)NCCCCO 273464a_100000737577_100000750430 [0,2,0,0,0,0|2,0,0]=4 10956 B12R0.113 C[C@H](CO)NC(=O)NCCCCO 512a_100000737577_100000750430 [0,2,0,0,0,0|2,0,0]=4 10957 B12R0.113 C[C@H](CO)NC(=O)NCCCCO 512a_100000750430_100000737577 [0,2,0,0,0,0|2,0,0]=4 10958 B12R0.125 C#CCCCCC(=O)CC(C)(C)C 1458a_100000211214_100010269958 [0,2,0,0,0,0|1,0,1]=4 10959 B12R0.125 C#CCCCCC(=O)CC(C)(C)O 1458a_100000693243_100010269958 [0,2,0,0,0,0|1,0,1]=4 10960 B12R0.125 C#CCCCNC(=O)CC(C)(C)C 11a_100000718082_100000211214 [0,2,0,0,0,0|1,0,1]=4 10961 B12R0.125 C#CCCCNC(=O)CC(C)(C)C 1626a_100000718082_100000211214 [0,2,0,0,0,0|1,0,1]=4 10962 B12R0.125 C#CCCCNC(=O)CC(C)(C)C 240690a_100000718082_100000211214 [0,2,0,0,0,0|1,0,1]=4 10963 B12R0.125 C#CCCCNC(=O)CC(C)(C)C 527a_100000718082_100000211214 [0,2,0,0,0,0|1,0,1]=4 10964 B12R0.125 C#CCCCNC(=O)CC(C)(C)O 527a_100000718082_100000693243 [0,2,0,0,0,0|1,0,1]=4 10965 B12R0.125 C#CCNCOC(=O)CC(C)(C)C 34a_100000212058_200010999194 [0,2,0,0,0,0|0,0,2]=4 10966 B12R0.125 C#CCOCOC(=O)CC(C)(C)C 34a_100000210247_200010999194 [0,2,0,0,0,0|0,0,2]=4 10967 B12R0.125 C#CCSCOC(=O)CC(C)(C)C 62a_100000038162_200010999194 [0,2,0,0,0,0|0,0,2]=4 10968 B12R0.125 C=CCCCCC(=O)CC(C)(C)C 1458a_100000211214_100011215482 [0,2,0,0,0,0|1,0,1]=4 10969 B12R0.125 C=CCCCCC(=O)CC(C)(C)O 1458a_100000693243_100011215482 [0,2,0,0,0,0|1,0,1]=4 10970 B12R0.125 C=CCCCNC(=O)CC(C)(C)C 11a_100000700776_100000211214 [0,2,0,0,0,0|1,0,1]=4 10971 B12R0.125 C=CCCCNC(=O)CC(C)(C)C 1626a_100000700776_100000211214 [0,2,0,0,0,0|1,0,1]=4 10972 B12R0.125 C=CCCCNC(=O)CC(C)(C)C 240690a_100000700776_100000211214 [0,2,0,0,0,0|1,0,1]=4 10973 B12R0.125 C=CCCCNC(=O)CC(C)(C)C 527a_100000700776_100000211214 [0,2,0,0,0,0|1,0,1]=4 10974 B12R0.125 C=CCCCNC(=O)CC(C)(C)O 527a_100000700776_100000693243 [0,2,0,0,0,0|1,0,1]=4 10975 B12R0.125 C=CCNCOC(=O)CC(C)(C)C 2230a_100020586998_200010999194 [0,2,0,0,0,0|0,0,2]=4 10976 B12R0.125 C=CCOCOC(=O)CC(C)(C)C 34a_200000210373_200010999194 [0,2,0,0,0,0|0,0,2]=4 10977 B12R0.125 C=CCSCOC(=O)CC(C)(C)C 62a_100000210623_200010999194 [0,2,0,0,0,0|0,0,2]=4 10978 B12R0.125 C=CCSCOC(=O)CC(C)(C)C 62a_200010999194_100000210623 [0,2,0,0,0,0|0,0,2]=4 10979 B12R0.125 CC(C)(C)CC(=O)CCCCC#N 1458a_100000211214_100000211819 [0,2,0,0,0,0|1,0,1]=4 10980 B12R0.125 CC(C)(C)CC(=O)CCCCCF 1458a_100000211214_100000729378 [0,2,0,0,0,0|1,0,0]=3 10981 B12R0.125 CC(C)(C)CC(=O)CCCCCO 1458a_100000211214_100000746330 [0,2,0,0,0,0|1,0,0]=3 10982 B12R0.125 CC(C)(C)CC(=O)CCOCCO 1458a_100000211214_100011215305 [0,2,0,0,0,0|2,0,0]=4 10983 B12R0.125 CC(C)(C)CC(=O)NCCCCO 240690a_100000750430_100000211214 [0,2,0,0,0,0|1,0,0]=3 10984 B12R0.125 CC(C)(C)CC(=O)NCCCCO 527a_100000750430_100000211214 [0,2,0,0,0,0|1,0,0]=3 10985 B12R0.125 CC(C)(C)CC(=O)OCNCCF 34a_100000724931_200010999194 [0,2,0,0,0,0|1,0,0]=3 10986 B12R0.125 CC(C)(C)CC(=O)OCNCCO 2230a_100016997473_200010999194 [0,2,0,0,0,0|1,0,0]=3 10987 B12R0.125 CC(C)(C)CC(=O)OCNCCO 34a_100016990907_200010999194 [0,2,0,0,0,0|1,0,0]=3 10988 B12R0.125 CC(C)(C)CC(=O)OCOCCBr 34a_100000211926_200010999194 [0,2,0,0,0,0|1,0,0]=3 10989 B12R0.125 CC(C)(C)CC(=O)OCOCCN 34a_100000210304_200010999194 [0,2,0,0,0,0|1,0,0]=3 10990 B12R0.125 CC(C)(C)CC(=O)OCSCC#N 62a_100011215382_200010999194 [0,2,0,0,0,0|1,0,1]=4 10991 B12R0.125 CC(C)(C)CC(=O)OCSCC#N 62a_200010999194_100011215382 [0,2,0,0,0,0|1,0,1]=4 10992 B12R0.125 CC(C)(C)CC(=O)OCSCC=O 62a_200010999194_200015260668 [0,2,0,0,0,0|1,0,1]=4 10993 B12R0.125 CC(C)(C)CC(=O)OCSCC=O 62a_200015260668_200010999194 [0,2,0,0,0,0|1,0,1]=4 10994 B12R0.125 CC(C)(C)CC(=O)OCSCCF 62a_100011217306_200010999194 [0,2,0,0,0,0|1,0,0]=3 10995 B12R0.125 CC(C)(C)CC(=O)OCSCCF 62a_200010999194_100011217306 [0,2,0,0,0,0|1,0,0]=3 10996 B12R0.125 CC(C)(C)CC(=O)OCSCCO 62a_100000211926_200010999194 [0,2,0,0,0,0|1,0,0]=3 10997 B12R0.125 CC(C)(C)CC(=O)OCSCCO 62a_200010999194_100000211926 [0,2,0,0,0,0|1,0,0]=3 10998 B12R0.125 CC(C)(C)NC(=O)CCCCCO 240690a_100000715429_100102619762 [0,2,0,0,0,0|2,0,0]=4 10999 B12R0.125 CC(C)(C)NC(=O)COCCCBr 34a_100011217188_100000182746 [0,2,0,0,0,0|2,0,0]=4 11000 B12R0.125 CC(C)(C)NC(=O)COCCCCl 34a_100000230001_100000182746 [0,2,0,0,0,0|2,0,0]=4 11001 B12R0.125 CC(C)(C)NC(=O)COCCCF 34a_100000759539_100000182746 [0,2,0,0,0,0|2,0,0]=4 11002 B12R0.125 CC(C)(C)NC(=O)COCCCN 34a_100000182051_100000182746 [0,2,0,0,0,0|2,0,0]=4 11003 B12R0.125 CC(C)(C)NC(=O)NCCCCO 2708a_100000750430_100000715429 [0,2,0,0,0,0|2,0,0]=4 11004 B12R0.125 CC(C)(C)NC(=O)NCCCCO 273464a_100000715429_100000750430 [0,2,0,0,0,0|2,0,0]=4 11005 B12R0.125 CC(C)(C)NC(=O)NCCCCO 273464a_100000750430_100000715429 [0,2,0,0,0,0|2,0,0]=4 11006 B12R0.125 CC(C)(C)NC(=O)NCCCCO 512a_100000715429_100000750430 [0,2,0,0,0,0|2,0,0]=4 11007 B12R0.125 CC(C)(C)OC(=O)CCCCS[13CH3] 62a_100010889705_200025704644 [0,2,0,0,0,0|2,0,0]=4 11008 B12R0.125 CC(C)(C)OC(=O)CCCCS[13CH3] 62a_200025704644_100010889705 [0,2,0,0,0,0|2,0,0]=4 11009 B12R0.125 CC(C)(C)OC(=O)COCCCBr 34a_100011217188_100000183872 [0,2,0,0,0,0|2,0,0]=4 11010 B12R0.125 CC(C)(C)OC(=O)COCCCCl 34a_100000230001_100000183872 [0,2,0,0,0,0|2,0,0]=4 11011 B12R0.125 CC(C)(C)OC(=O)COCCCF 34a_100000752683_100011934791 [0,2,0,0,0,0|2,0,0]=4 11012 B12R0.125 CC(C)(C)OC(=O)COCCCF 34a_100000759539_100000183872 [0,2,0,0,0,0|2,0,0]=4 11013 B12R0.125 CC(C)(C)OC(=O)COCCCN 34a_100000182051_100000183872 [0,2,0,0,0,0|2,0,0]=4 11014 B12R0.125 CC(C)(C)OC(=O)COCCCO 34a_100000752683_100000230001 [0,2,0,0,0,0|2,0,0]=4 11015 B12R0.125 CC(C)(C)OC(=O)COCCO[13CH3] 34a_100010982675_200025704644 [0,2,0,0,0,0|2,0,0]=4 11016 B12R0.125 CC(C)(C)OC(=O)COCCO[13CH3] 7a_100010982675_200025704644 [0,2,0,0,0,0|2,0,0]=4 11017 B12R0.125 CC(C)(C)OC(=O)COCCS[13CH3] 62a_100011092059_200025704644 [0,2,0,0,0,0|2,0,0]=4 11018 B12R0.125 CC(C)(C)OC(=O)COCCS[13CH3] 62a_200025704644_100011092059 [0,2,0,0,0,0|2,0,0]=4 11019 B12R0.125 CC(C)(C)OC(=O)NCCCO[13CH3] 34a_100000743756_200025704644 [0,2,0,0,0,0|2,0,0]=4 11020 B12R0.125 CC(C)(C)OC(=O)NCCCO[13CH3] 7a_100000743756_200025704644 [0,2,0,0,0,0|2,0,0]=4 11021 B12R0.125 CC(C)(C)OC(=O)NCCCS[13CH3] 62a_100000725178_200025704644 [0,2,0,0,0,0|2,0,0]=4 11022 B12R0.125 CC(C)(C)OC(=O)NCCCS[13CH3] 62a_200025704644_100000725178 [0,2,0,0,0,0|2,0,0]=4 11023 B12R0.125 CC(C)(O)CC(=O)CCCCC#N 1458a_100000693243_100000211819 [0,2,0,0,0,0|1,0,1]=4 11024 B12R0.125 CC(C)(O)CC(=O)CCCCCF 1458a_100000693243_100000729378 [0,2,0,0,0,0|1,0,0]=3 11025 B12R0.125 CC(C)(O)CC(=O)CCCCCO 1458a_100000693243_100000746330 [0,2,0,0,0,0|1,0,0]=3 11026 B12R0.125 CC(C)(O)CC(=O)CCOCCO 1458a_100000693243_100011215305 [0,2,0,0,0,0|2,0,0]=4 11027 B12R0.125 CC(C)(O)CC(=O)NCCCCO 527a_100000750430_100000693243 [0,2,0,0,0,0|1,0,0]=3 11028 B12R0.125 CC(CC(C)(C)C)OCCCCF 7a_200011218616_100000729493 [0,2,0,0,0,0|1,0,1]=4 11029 B12R0.125 CC(CC(C)(C)C)OCCCCO 7a_200011218616_100000210776 [0,2,0,0,0,0|1,0,1]=4 11030 B12R0.125 CC/C=C\CCC(=O)CC(C)(C)C 1458a_100000211214_100015370543 [0,2,0,0,0,0|1,0,1]=4 11031 B12R0.125 CC/C=C\CCC(=O)CC(C)(C)O 1458a_100000693243_100015370543 [0,2,0,0,0,0|1,0,1]=4 11032 B12R0.125 CCCC=NNC(=O)CC(C)(C)C 4a_200000189801_100000185831 [0,2,0,0,0,0|1,0,1]=4 11033 B12R0.125 CCCCC=CC(=O)C[Si](C)(C)C 1458a_100016266645_100000233785 [0,2,0,0,0,0|1,1,0]=4 11034 B12R0.125 CCCCC=CC(=O)NC(C)(C)C 11a_100000715429_100016266645 [0,2,0,0,0,0|2,0,0]=4 11035 B12R0.125 CCCCC=CC(=O)NC(C)(C)C 1626a_100000715429_100016266645 [0,2,0,0,0,0|2,0,0]=4 11036 B12R0.125 CCCCC=CC(=O)NC(C)(C)C 240690a_100000715429_100016266645 [0,2,0,0,0,0|2,0,0]=4 11037 B12R0.125 CCCCCCC(=O)CC(C)(C)C 1458a_100000211214_100000210757 [0,2,0,0,0,0|1,0,0]=3 11038 B12R0.125 CCCCCCC(=O)CC(C)(C)O 1458a_100000693243_100000210757 [0,2,0,0,0,0|1,0,0]=3 11039 B12R0.125 CCCCCCC(=O)C[N+](C)(C)C 1458a_100000033712_100000210757 [0,2,0,0,0,0|2,0,0]=4 11040 B12R0.125 CCCCCCC(=O)C[Si](C)(C)C 1458a_100011218504_100000210757 [0,2,0,0,0,0|1,1,0]=4 11041 B12R0.125 CCCCCCC(=O)C[Si](C)(C)C 1458a_100102632555_100000233785 [0,2,0,0,0,0|1,1,0]=4 11042 B12R0.125 CCCCCCC(=O)NC(C)(C)C 11a_100000715429_100102632555 [0,2,0,0,0,0|2,0,0]=4 11043 B12R0.125 CCCCCCC(=O)NC(C)(C)C 1626a_100000715429_100102632555 [0,2,0,0,0,0|2,0,0]=4 11044 B12R0.125 CCCCCCC(=O)NC(C)(C)C 240690a_100000715429_100102632555 [0,2,0,0,0,0|2,0,0]=4 11045 B12R0.125 CCCCCCC(=O)NC(C)(C)C 527a_100000715429_100102632555 [0,2,0,0,0,0|2,0,0]=4 11046 B12R0.125 CCCCCNC(=O)CC(C)(C)C 11a_100000209983_100000211214 [0,2,0,0,0,0|1,0,0]=3 11047 B12R0.125 CCCCCNC(=O)CC(C)(C)C 1626a_100000209983_100000211214 [0,2,0,0,0,0|1,0,0]=3 11048 B12R0.125 CCCCCNC(=O)CC(C)(C)C 240690a_100000209983_100000211214 [0,2,0,0,0,0|1,0,0]=3 11049 B12R0.125 CCCCCNC(=O)CC(C)(C)C 527a_100000209983_100000211214 [0,2,0,0,0,0|1,0,0]=3 11050 B12R0.125 CCCCCNC(=O)CC(C)(C)O 527a_100000209983_100000693243 [0,2,0,0,0,0|1,0,0]=3 11051 B12R0.125 CCCCCNC(=O)C[N+](C)(C)C 11a_100000209983_100000033712 [0,2,0,0,0,0|2,0,0]=4 11052 B12R0.125 CCCCCNC(=O)C[N+](C)(C)C 1626a_100000209983_100000033712 [0,2,0,0,0,0|2,0,0]=4 11053 B12R0.125 CCCCCNC(=O)C[N+](C)(C)C 240690a_100000209983_100000033712 [0,2,0,0,0,0|2,0,0]=4 11054 B12R0.125 CCCCCNC(=O)C[N+](C)(C)C 527a_100000209983_100000033712 [0,2,0,0,0,0|2,0,0]=4 11055 B12R0.125 CCCCCNC(=O)C[Si](C)(C)C 11a_100000209983_100011218504 [0,2,0,0,0,0|1,1,0]=4 11056 B12R0.125 CCCCCNC(=O)C[Si](C)(C)C 1626a_100000209983_100011218504 [0,2,0,0,0,0|1,1,0]=4 11057 B12R0.125 CCCCCNC(=O)NC(C)(C)C 2708a_100000209983_100000715429 [0,2,0,0,0,0|2,0,0]=4 11058 B12R0.125 CCCCCNC(=O)NC(C)(C)C 273464a_100000209983_100000715429 [0,2,0,0,0,0|2,0,0]=4 11059 B12R0.125 CCCCCNC(=O)NC(C)(C)C 273464a_100000715429_100000209983 [0,2,0,0,0,0|2,0,0]=4 11060 B12R0.125 CCCCCNC(=O)NC(C)(C)C 512a_100000715429_100000209983 [0,2,0,0,0,0|2,0,0]=4 11061 B12R0.125 CCCCCOC(C)CC(C)(C)C 7a_200011218616_100000210326 [0,2,0,0,0,0|1,0,1]=4 11062 B12R0.125 CCCCNCC(=O)NC(C)(C)C 2230a_100000102301_100000182746 [0,2,0,0,0,0|2,0,0]=4 11063 B12R0.125 CCCCNCC(=O)NC(C)(C)C 2230a_100000174917_100000210211 [0,2,0,0,0,0|2,0,0]=4 11064 B12R0.125 CCCCNCC(=O)NC(C)(C)C 34a_100000174917_100000210210 [0,2,0,0,0,0|2,0,0]=4 11065 B12R0.125 CCCCNCC(=O)NC(C)(C)C 7a_106832991798_100000182746 [0,2,0,0,0,0|2,0,0]=4 11066 B12R0.125 CCCCNCC(=O)OC(C)(C)C 2230a_100000102301_100000183872 [0,2,0,0,0,0|2,0,0]=4 11067 B12R0.125 CCCCNCC(=O)OC(C)(C)C 7a_106832991798_100000183872 [0,2,0,0,0,0|2,0,0]=4 11068 B12R0.125 CCCCNNC(=O)CC(C)(C)C 22a_100025702795_100000211214 [0,2,0,0,0,0|1,0,0]=3 11069 B12R0.125 CCCCNNC(=O)CC(C)(C)O 22a_100025702795_100000693243 [0,2,0,0,0,0|1,0,0]=3 11070 B12R0.125 CCCCNNC(=O)C[N+](C)(C)C 22a_100025702795_100000033712 [0,2,0,0,0,0|2,0,0]=4 11071 B12R0.125 CCCCNNC(=O)NC(C)(C)C 273464a_100000715429_100025702795 [0,2,0,0,0,0|2,0,0]=4 11072 B12R0.125 CCCCNNC(=O)NC(C)(C)C 512a_100000715429_100025702795 [0,2,0,0,0,0|2,0,0]=4 11073 B12R0.125 CCCCOCC(=O)CC(C)(C)C 1458a_100000211214_100011995733 [0,2,0,0,0,0|0,0,0]=2 11074 B12R0.125 CCCCOCC(=O)CC(C)(C)O 1458a_100000693243_100011995733 [0,2,0,0,0,0|0,0,0]=2 11075 B12R0.125 CCCCOCC(=O)CC(F)(F)F 1458a_100000245130_100011995733 [0,2,0,0,0,0|2,0,0]=4 11076 B12R0.125 CCCCOCC(=O)CS(=O)(=O)C 1458a_100000744497_100011995733 [0,2,0,0,0,0|2,0,0]=4 11077 B12R0.125 CCCCOCC(=O)C[N+](C)(C)C 1458a_100000033712_100011995733 [0,2,0,0,0,0|1,0,0]=3 11078 B12R0.125 CCCCOCC(=O)C[Si](C)(C)C 1458a_100000757543_100000233785 [0,2,0,0,0,0|0,1,0]=3 11079 B12R0.125 CCCCOCC(=O)C[Si](C)(C)C 1458a_100011218504_100011995733 [0,2,0,0,0,0|0,1,0]=3 11080 B12R0.125 CCCCOCC(=O)NC(C)(C)C 11a_100000715429_100000757543 [0,2,0,0,0,0|1,0,0]=3 11081 B12R0.125 CCCCOCC(=O)NC(C)(C)C 1626a_100000715429_100000757543 [0,2,0,0,0,0|1,0,0]=3 11082 B12R0.125 CCCCOCC(=O)NC(C)(C)C 240690a_100000715429_100000757543 [0,2,0,0,0,0|1,0,0]=3 11083 B12R0.125 CCCCOCC(=O)NC(C)(C)C 34a_100000210227_100000182746 [0,2,0,0,0,0|1,0,0]=3 11084 B12R0.125 CCCCOCC(=O)NC(C)(C)C 527a_100000715429_100000757543 [0,2,0,0,0,0|1,0,0]=3 11085 B12R0.125 CCCCOCC(=O)NC(C)(C)C 7a_100000210227_100000182746 [0,2,0,0,0,0|1,0,0]=3 11086 B12R0.125 CCCCOCC(=O)OC(C)(C)C 34a_100000210227_100000183872 [0,2,0,0,0,0|1,0,0]=3 11087 B12R0.125 CCCCOCC(=O)OC(C)(C)C 34a_100000752683_100000210210 [0,2,0,0,0,0|1,0,0]=3 11088 B12R0.125 CCCCOCC(=O)OC(C)(C)C 7a_100000210227_100000183872 [0,2,0,0,0,0|1,0,0]=3 11089 B12R0.125 CCCCOCC(=O)O[Si](C)(C)C 34a_100000210227_200009813336 [0,2,0,0,0,0|1,1,0]=4 11090 B12R0.125 CCCCOCC(=O)O[Si](C)(C)C 7a_100000210227_200009813336 [0,2,0,0,0,0|1,1,0]=4 11091 B12R0.125 CCCCOCC(C)CC(C)(C)C 7a_200011215325_100000210211 [0,2,0,0,0,0|1,0,1]=4 11092 B12R0.125 CCCCOCN(C)CC(C)(C)C 2230a_100000742839_100011995733 [0,2,0,0,0,0|2,0,0]=4 11093 B12R0.125 CCCCOCN(C)CC(C)(C)C 269982a_100000742839_100011995733 [0,2,0,0,0,0|2,0,0]=4 11094 B12R0.125 CCCCOCN(C)CC(C)(C)O 2230a_100000755907_100011995733 [0,2,0,0,0,0|2,0,0]=4 11095 B12R0.125 CCCCOCN(C)CC(C)(C)O 269982a_100000755907_100011995733 [0,2,0,0,0,0|2,0,0]=4 11096 B12R0.125 CCCCSCC(=O)C[Si](C)(C)C 1458a_100000191162_100000233785 [0,2,0,0,0,0|0,2,0]=4 11097 B12R0.125 CCCCSCC(=O)NC(C)(C)C 11a_100000715429_100000191162 [0,2,0,0,0,0|1,1,0]=4 11098 B12R0.125 CCCCSCC(=O)NC(C)(C)C 1626a_100000715429_100000191162 [0,2,0,0,0,0|1,1,0]=4 11099 B12R0.125 CCCCSCC(=O)NC(C)(C)C 240690a_100000715429_100000191162 [0,2,0,0,0,0|1,1,0]=4 11100 B12R0.125 CCCCSCC(=O)NC(C)(C)C 527a_100000715429_100000191162 [0,2,0,0,0,0|1,1,0]=4 11101 B12R0.125 CCCCSCC(=O)NC(C)(C)C 62a_100000182746_100000210210 [0,2,0,0,0,0|1,1,0]=4 11102 B12R0.125 CCCCSCC(=O)NC(C)(C)C 62a_100000210211_100000182746 [0,2,0,0,0,0|1,1,0]=4 11103 B12R0.125 CCCCSCC(=O)OC(C)(C)C 62a_100000183872_100000210210 [0,2,0,0,0,0|1,1,0]=4 11104 B12R0.125 CCCCSCC(=O)OC(C)(C)C 62a_100000210211_100000183872 [0,2,0,0,0,0|1,1,0]=4 11105 B12R0.125 CCCOCCC(=O)CC(C)(C)C 1458a_100000211214_100011215938 [0,2,0,0,0,0|1,0,0]=3 11106 B12R0.125 CCCOCCC(=O)CC(C)(C)O 1458a_100000693243_100011215938 [0,2,0,0,0,0|1,0,0]=3 11107 B12R0.125 CCCOCCC(=O)C[N+](C)(C)C 1458a_100000033712_100011215938 [0,2,0,0,0,0|2,0,0]=4 11108 B12R0.125 CCCOCCC(=O)C[Si](C)(C)C 1458a_100011218504_100011215938 [0,2,0,0,0,0|1,1,0]=4 11109 B12R0.125 CCCOCCC(=O)OC(C)(C)C 34a_100000210258_100009816755 [0,2,0,0,0,0|2,0,0]=4 11110 B12R0.125 CCCOCCC(=O)OC(C)(C)C 34a_100011934494_100000210303 [0,2,0,0,0,0|2,0,0]=4 11111 B12R0.125 CCCOCCC(=O)OC(C)(C)C 7a_100011934494_100000210303 [0,2,0,0,0,0|2,0,0]=4 11112 B12R0.125 CCCOCOC(=O)CC(C)(C)C 34a_100000210258_200010999194 [0,2,0,0,0,0|0,0,0]=2 11113 B12R0.125 CCCSCCC(=O)NC(C)(C)C 62a_100000210303_100011194433 [0,2,0,0,0,0|2,0,0]=4 11114 B12R0.125 CCCSCCC(=O)NC(C)(C)C 62a_100011194433_100000210303 [0,2,0,0,0,0|2,0,0]=4 11115 B12R0.125 CCCSCCC(=O)OC(C)(C)C 62a_100000210303_100009816755 [0,2,0,0,0,0|2,0,0]=4 11116 B12R0.125 CCCSCCC(=O)OC(C)(C)C 62a_100009816755_100000210303 [0,2,0,0,0,0|2,0,0]=4 11117 B12R0.125 CCCSCOC(=O)CC(C)(C)C 62a_100000210303_200010999194 [0,2,0,0,0,0|0,0,0]=2 11118 B12R0.125 CCCSCOC(=O)CC(C)(C)C 62a_200010999194_100000210303 [0,2,0,0,0,0|0,0,0]=2 11119 B12R0.125 CCNCCCC(=O)NC(C)(C)C 2230a_100015525214_100011194434 [0,2,0,0,0,0|2,0,0]=4 11120 B12R0.125 CCNCCCC(=O)OC(C)(C)C 2230a_100015525214_100000708543 [0,2,0,0,0,0|2,0,0]=4 11121 B12R0.125 CCNCCNC(=O)OC(C)(C)C 2230a_100015525214_100000691259 [0,2,0,0,0,0|2,0,0]=4 11122 B12R0.125 CCOCCCC(=O)CC(C)(C)C 1458a_100000211214_100012232248 [0,2,0,0,0,0|1,0,0]=3 11123 B12R0.125 CCOCCCC(=O)CC(C)(C)O 1458a_100000693243_100012232248 [0,2,0,0,0,0|1,0,0]=3 11124 B12R0.125 CCOCCCC(=O)C[N+](C)(C)C 1458a_100000033712_100012232248 [0,2,0,0,0,0|2,0,0]=4 11125 B12R0.125 CCOCCCC(=O)C[Si](C)(C)C 1458a_100011218504_100012232248 [0,2,0,0,0,0|1,1,0]=4 11126 B12R0.125 CCOCCCC(=O)OC(C)(C)C 34a_100000067108_100000210202 [0,2,0,0,0,0|2,0,0]=4 11127 B12R0.125 CCOCCCC(=O)OC(C)(C)C 34a_100121572206_100000708543 [0,2,0,0,0,0|2,0,0]=4 11128 B12R0.125 CCOCCCC(=O)OC(C)(C)C 7a_100000067108_100000210202 [0,2,0,0,0,0|2,0,0]=4 11129 B12R0.125 CCOCCNC(=O)CC(C)(C)C 11a_100011200944_100000211214 [0,2,0,0,0,0|1,0,0]=3 11130 B12R0.125 CCOCCNC(=O)CC(C)(C)C 1626a_102516460346_100000211214 [0,2,0,0,0,0|1,0,0]=3 11131 B12R0.125 CCOCCNC(=O)CC(C)(C)C 240690a_100011200944_100000211214 [0,2,0,0,0,0|1,0,0]=3 11132 B12R0.125 CCOCCNC(=O)CC(C)(C)C 527a_100011200944_100000211214 [0,2,0,0,0,0|1,0,0]=3 11133 B12R0.125 CCOCCNC(=O)CC(C)(C)O 527a_100011200944_100000693243 [0,2,0,0,0,0|1,0,0]=3 11134 B12R0.125 CCOCCNC(=O)C[N+](C)(C)C 11a_100011200944_100000033712 [0,2,0,0,0,0|2,0,0]=4 11135 B12R0.125 CCOCCNC(=O)C[N+](C)(C)C 1626a_102516460346_100000033712 [0,2,0,0,0,0|2,0,0]=4 11136 B12R0.125 CCOCCNC(=O)C[N+](C)(C)C 240690a_100011200944_100000033712 [0,2,0,0,0,0|2,0,0]=4 11137 B12R0.125 CCOCCNC(=O)C[N+](C)(C)C 527a_100011200944_100000033712 [0,2,0,0,0,0|2,0,0]=4 11138 B12R0.125 CCOCCNC(=O)C[Si](C)(C)C 11a_100011200944_100011218504 [0,2,0,0,0,0|1,1,0]=4 11139 B12R0.125 CCOCCNC(=O)C[Si](C)(C)C 1626a_102516460346_100011218504 [0,2,0,0,0,0|1,1,0]=4 11140 B12R0.125 CCOCCNC(=O)NC(C)(C)C 2708a_100011200944_100000715429 [0,2,0,0,0,0|2,0,0]=4 11141 B12R0.125 CCOCCNC(=O)NC(C)(C)C 273464a_100000715429_102516460346 [0,2,0,0,0,0|2,0,0]=4 11142 B12R0.125 CCOCCNC(=O)NC(C)(C)C 273464a_102516460346_100000715429 [0,2,0,0,0,0|2,0,0]=4 11143 B12R0.125 CCOCCNC(=O)NC(C)(C)C 512a_100000715429_100011200944 [0,2,0,0,0,0|2,0,0]=4 11144 B12R0.125 CCOCCNC(=O)OC(C)(C)C 34a_100000743822_100000210202 [0,2,0,0,0,0|2,0,0]=4 11145 B12R0.125 CCOCCNC(=O)OC(C)(C)C 7a_100000743822_100000210202 [0,2,0,0,0,0|2,0,0]=4 11146 B12R0.125 CCOCCOC(C)CC(C)(C)C 7a_200011218616_100011215890 [0,2,0,0,0,0|1,0,1]=4 11147 B12R0.125 CCSCCCC(=O)NC(C)(C)C 62a_100000210202_100011194434 [0,2,0,0,0,0|2,0,0]=4 11148 B12R0.125 CCSCCCC(=O)NC(C)(C)C 62a_100011194434_100000210202 [0,2,0,0,0,0|2,0,0]=4 11149 B12R0.125 CCSCCCC(=O)OC(C)(C)C 62a_100000210202_100000708543 [0,2,0,0,0,0|2,0,0]=4 11150 B12R0.125 CCSCCCC(=O)OC(C)(C)C 62a_100000708543_100000210202 [0,2,0,0,0,0|2,0,0]=4 11151 B12R0.125 CCSCCNC(=O)CC(C)(C)C 11a_100000106463_100000211214 [0,2,0,0,0,0|1,0,0]=3 11152 B12R0.125 CCSCCNC(=O)CC(C)(C)C 1626a_100000106463_100000211214 [0,2,0,0,0,0|1,0,0]=3 11153 B12R0.125 CCSCCNC(=O)CC(C)(C)C 240690a_100000106463_100000211214 [0,2,0,0,0,0|1,0,0]=3 11154 B12R0.125 CCSCCNC(=O)CC(C)(C)C 527a_100000106463_100000211214 [0,2,0,0,0,0|1,0,0]=3 11155 B12R0.125 CCSCCNC(=O)CC(C)(C)O 527a_100000106463_100000693243 [0,2,0,0,0,0|1,0,0]=3 11156 B12R0.125 CCSCCNC(=O)C[N+](C)(C)C 11a_100000106463_100000033712 [0,2,0,0,0,0|2,0,0]=4 11157 B12R0.125 CCSCCNC(=O)C[N+](C)(C)C 1626a_100000106463_100000033712 [0,2,0,0,0,0|2,0,0]=4 11158 B12R0.125 CCSCCNC(=O)C[N+](C)(C)C 240690a_100000106463_100000033712 [0,2,0,0,0,0|2,0,0]=4 11159 B12R0.125 CCSCCNC(=O)C[N+](C)(C)C 527a_100000106463_100000033712 [0,2,0,0,0,0|2,0,0]=4 11160 B12R0.125 CCSCCNC(=O)C[Si](C)(C)C 11a_100000106463_100011218504 [0,2,0,0,0,0|1,1,0]=4 11161 B12R0.125 CCSCCNC(=O)C[Si](C)(C)C 1626a_100000106463_100011218504 [0,2,0,0,0,0|1,1,0]=4 11162 B12R0.125 CCSCCNC(=O)NC(C)(C)C 2708a_100000106463_100000715429 [0,2,0,0,0,0|2,0,0]=4 11163 B12R0.125 CCSCCNC(=O)NC(C)(C)C 273464a_100000106463_100000715429 [0,2,0,0,0,0|2,0,0]=4 11164 B12R0.125 CCSCCNC(=O)NC(C)(C)C 273464a_100000715429_100000106463 [0,2,0,0,0,0|2,0,0]=4 11165 B12R0.125 CCSCCNC(=O)NC(C)(C)C 512a_100000715429_100000106463 [0,2,0,0,0,0|2,0,0]=4 11166 B12R0.125 CCSCCNC(=O)OC(C)(C)C 62a_100000210202_100000691259 [0,2,0,0,0,0|2,0,0]=4 11167 B12R0.125 CCSCCNC(=O)OC(C)(C)C 62a_100000691259_100000210202 [0,2,0,0,0,0|2,0,0]=4 11168 B12R0.125 CCSCCOC(C)CC(C)(C)C 7a_200011218616_100000757381 [0,2,0,0,0,0|1,0,1]=4 11169 B12R0.125 CNCCCCC(=O)OC(C)(C)C 2230a_106832991635_100010889705 [0,2,0,0,0,0|2,0,0]=4 11170 B12R0.125 CNCCCCC(=O)OC(C)(C)C 34a_100102657272_100010889705 [0,2,0,0,0,0|2,0,0]=4 11171 B12R0.125 CNCCCCC(=O)OC(C)(C)C 7a_106832991635_100010889705 [0,2,0,0,0,0|2,0,0]=4 11172 B12R0.125 CNCCCNC(=O)OC(C)(C)C 2230a_106832991635_100000725178 [0,2,0,0,0,0|2,0,0]=4 11173 B12R0.125 CNCCCNC(=O)OC(C)(C)C 34a_100102657272_100000725178 [0,2,0,0,0,0|2,0,0]=4 11174 B12R0.125 CNCCCNC(=O)OC(C)(C)C 7a_106832991635_100000725178 [0,2,0,0,0,0|2,0,0]=4 11175 B12R0.125 CNCCOCC(=O)OC(C)(C)C 2230a_106832991635_100011092059 [0,2,0,0,0,0|2,0,0]=4 11176 B12R0.125 CNCCOCC(=O)OC(C)(C)C 34a_100102657272_100011092059 [0,2,0,0,0,0|2,0,0]=4 11177 B12R0.125 CNCCOCC(=O)OC(C)(C)C 7a_106832991635_100011092059 [0,2,0,0,0,0|2,0,0]=4 11178 B12R0.125 COCCCCC(=O)CC(C)(C)C 1458a_100000211214_100000755781 [0,2,0,0,0,0|1,0,0]=3 11179 B12R0.125 COCCCCC(=O)CC(C)(C)O 1458a_100000693243_100000755781 [0,2,0,0,0,0|1,0,0]=3 11180 B12R0.125 COCCCCC(=O)C[N+](C)(C)C 1458a_100000033712_100000755781 [0,2,0,0,0,0|2,0,0]=4 11181 B12R0.125 COCCCCC(=O)C[Si](C)(C)C 1458a_100011218504_100000755781 [0,2,0,0,0,0|1,1,0]=4 11182 B12R0.125 COCCCCC(=O)OC(C)(C)C 34a_100138415774_100010889705 [0,2,0,0,0,0|2,0,0]=4 11183 B12R0.125 COCCCNC(=O)CC(C)(C)C 1626a_100150723488_100000211214 [0,2,0,0,0,0|1,0,0]=3 11184 B12R0.125 COCCCNC(=O)CC(C)(C)C 240690a_100150723488_100000211214 [0,2,0,0,0,0|1,0,0]=3 11185 B12R0.125 COCCCNC(=O)CC(C)(C)C 527a_100150723488_100000211214 [0,2,0,0,0,0|1,0,0]=3 11186 B12R0.125 COCCCNC(=O)CC(C)(C)O 527a_100150723488_100000693243 [0,2,0,0,0,0|1,0,0]=3 11187 B12R0.125 COCCCNC(=O)C[N+](C)(C)C 1626a_100150723488_100000033712 [0,2,0,0,0,0|2,0,0]=4 11188 B12R0.125 COCCCNC(=O)C[N+](C)(C)C 240690a_100150723488_100000033712 [0,2,0,0,0,0|2,0,0]=4 11189 B12R0.125 COCCCNC(=O)C[N+](C)(C)C 527a_100150723488_100000033712 [0,2,0,0,0,0|2,0,0]=4 11190 B12R0.125 COCCCNC(=O)C[Si](C)(C)C 1626a_100150723488_100011218504 [0,2,0,0,0,0|1,1,0]=4 11191 B12R0.125 COCCCNC(=O)NC(C)(C)C 2708a_100150723488_100000715429 [0,2,0,0,0,0|2,0,0]=4 11192 B12R0.125 COCCCNC(=O)NC(C)(C)C 273464a_100000715429_100150723488 [0,2,0,0,0,0|2,0,0]=4 11193 B12R0.125 COCCCNC(=O)NC(C)(C)C 273464a_100150723488_100000715429 [0,2,0,0,0,0|2,0,0]=4 11194 B12R0.125 COCCCNC(=O)NC(C)(C)C 512a_100000715429_100150723488 [0,2,0,0,0,0|2,0,0]=4 11195 B12R0.125 COCCCNC(=O)OC(C)(C)C 34a_100000743756_200000210301 [0,2,0,0,0,0|2,0,0]=4 11196 B12R0.125 COCCCNC(=O)OC(C)(C)C 34a_100138415774_100000725178 [0,2,0,0,0,0|2,0,0]=4 11197 B12R0.125 COCCCNC(=O)OC(C)(C)C 7a_100000743756_200000210301 [0,2,0,0,0,0|2,0,0]=4 11198 B12R0.125 COCCCOC(C)CC(C)(C)C 7a_200011218616_100000740836 [0,2,0,0,0,0|1,0,1]=4 11199 B12R0.125 COCCNNC(=O)CC(C)(C)C 22a_100000741390_100000211214 [0,2,0,0,0,0|2,0,0]=4 11200 B12R0.125 COCCNNC(=O)CC(C)(C)O 22a_100000741390_100000693243 [0,2,0,0,0,0|2,0,0]=4 11201 B12R0.125 COCCOCC(=O)C[Si](C)(C)C 1458a_100000211095_100000233785 [0,2,0,0,0,0|1,1,0]=4 11202 B12R0.125 COCCOCC(=O)NC(C)(C)C 11a_100000715429_100000211095 [0,2,0,0,0,0|2,0,0]=4 11203 B12R0.125 COCCOCC(=O)NC(C)(C)C 1626a_100000715429_100000211095 [0,2,0,0,0,0|2,0,0]=4 11204 B12R0.125 COCCOCC(=O)NC(C)(C)C 240690a_100000715429_100000211095 [0,2,0,0,0,0|2,0,0]=4 11205 B12R0.125 COCCOCC(=O)NC(C)(C)C 34a_100000210237_100000182746 [0,2,0,0,0,0|2,0,0]=4 11206 B12R0.125 COCCOCC(=O)NC(C)(C)C 527a_100000715429_100000211095 [0,2,0,0,0,0|2,0,0]=4 11207 B12R0.125 COCCOCC(=O)OC(C)(C)C 34a_100000210237_100000183872 [0,2,0,0,0,0|2,0,0]=4 11208 B12R0.125 COCCOCC(=O)OC(C)(C)C 34a_100000752683_100011201679 [0,2,0,0,0,0|2,0,0]=4 11209 B12R0.125 COCCOCC(=O)OC(C)(C)C 34a_100010982675_200000210301 [0,2,0,0,0,0|2,0,0]=4 11210 B12R0.125 COCCOCC(=O)OC(C)(C)C 34a_100138415774_100011092059 [0,2,0,0,0,0|2,0,0]=4 11211 B12R0.125 COCCOCC(=O)OC(C)(C)C 7a_100010982675_200000210301 [0,2,0,0,0,0|2,0,0]=4 11212 B12R0.125 COCSCOC(=O)CC(C)(C)C 62a_100000766300_200010999194 [0,2,0,0,0,0|1,0,0]=3 11213 B12R0.125 COCSCOC(=O)CC(C)(C)C 62a_200010999194_100000766300 [0,2,0,0,0,0|1,0,0]=3 11214 B12R0.125 CSCCCCC(=O)OC(C)(C)C 62a_100010889705_200000210301 [0,2,0,0,0,0|2,0,0]=4 11215 B12R0.125 CSCCCCC(=O)OC(C)(C)C 62a_200000210301_100010889705 [0,2,0,0,0,0|2,0,0]=4 11216 B12R0.125 CSCCCNC(=O)CC(C)(C)C 11a_100000749238_100000211214 [0,2,0,0,0,0|1,0,0]=3 11217 B12R0.125 CSCCCNC(=O)CC(C)(C)C 1626a_100000749238_100000211214 [0,2,0,0,0,0|1,0,0]=3 11218 B12R0.125 CSCCCNC(=O)CC(C)(C)C 240690a_100000749238_100000211214 [0,2,0,0,0,0|1,0,0]=3 11219 B12R0.125 CSCCCNC(=O)CC(C)(C)C 527a_100000749238_100000211214 [0,2,0,0,0,0|1,0,0]=3 11220 B12R0.125 CSCCCNC(=O)CC(C)(C)O 527a_100000749238_100000693243 [0,2,0,0,0,0|1,0,0]=3 11221 B12R0.125 CSCCCNC(=O)C[N+](C)(C)C 11a_100000749238_100000033712 [0,2,0,0,0,0|2,0,0]=4 11222 B12R0.125 CSCCCNC(=O)C[N+](C)(C)C 1626a_100000749238_100000033712 [0,2,0,0,0,0|2,0,0]=4 11223 B12R0.125 CSCCCNC(=O)C[N+](C)(C)C 240690a_100000749238_100000033712 [0,2,0,0,0,0|2,0,0]=4 11224 B12R0.125 CSCCCNC(=O)C[N+](C)(C)C 527a_100000749238_100000033712 [0,2,0,0,0,0|2,0,0]=4 11225 B12R0.125 CSCCCNC(=O)C[Si](C)(C)C 11a_100000749238_100011218504 [0,2,0,0,0,0|1,1,0]=4 11226 B12R0.125 CSCCCNC(=O)C[Si](C)(C)C 1626a_100000749238_100011218504 [0,2,0,0,0,0|1,1,0]=4 11227 B12R0.125 CSCCCNC(=O)NC(C)(C)C 2708a_100000749238_100000715429 [0,2,0,0,0,0|2,0,0]=4 11228 B12R0.125 CSCCCNC(=O)NC(C)(C)C 273464a_100000715429_100000749238 [0,2,0,0,0,0|2,0,0]=4 11229 B12R0.125 CSCCCNC(=O)NC(C)(C)C 273464a_100000749238_100000715429 [0,2,0,0,0,0|2,0,0]=4 11230 B12R0.125 CSCCCNC(=O)NC(C)(C)C 512a_100000715429_100000749238 [0,2,0,0,0,0|2,0,0]=4 11231 B12R0.125 CSCCCNC(=O)OC(C)(C)C 62a_100000725178_200000210301 [0,2,0,0,0,0|2,0,0]=4 11232 B12R0.125 CSCCCNC(=O)OC(C)(C)C 62a_200000210301_100000725178 [0,2,0,0,0,0|2,0,0]=4 11233 B12R0.125 CSCCOCC(=O)NC(C)(C)C 34a_100000230434_100000182746 [0,2,0,0,0,0|2,0,0]=4 11234 B12R0.125 CSCCOCC(=O)NC(C)(C)C 7a_100000230434_100000182746 [0,2,0,0,0,0|2,0,0]=4 11235 B12R0.125 CSCCOCC(=O)OC(C)(C)C 34a_100000230434_100000183872 [0,2,0,0,0,0|2,0,0]=4 11236 B12R0.125 CSCCOCC(=O)OC(C)(C)C 34a_100000752683_100000212216 [0,2,0,0,0,0|2,0,0]=4 11237 B12R0.125 CSCCOCC(=O)OC(C)(C)C 62a_100011092059_200000210301 [0,2,0,0,0,0|2,0,0]=4 11238 B12R0.125 CSCCOCC(=O)OC(C)(C)C 62a_200000210301_100011092059 [0,2,0,0,0,0|2,0,0]=4 11239 B12R0.125 CSCCOCC(=O)OC(C)(C)C 7a_100000230434_100000183872 [0,2,0,0,0,0|2,0,0]=4 11240 B12R0.125 CSCSCOC(=O)CC(C)(C)C 62a_100011218213_200010999194 [0,2,0,0,0,0|1,0,0]=3 11241 B12R0.125 CSCSCOC(=O)CC(C)(C)C 62a_200010999194_100011218213 [0,2,0,0,0,0|1,0,0]=3 11242 B12R0.125 C[N+](C)(C)CC(=O)CCCCCF 1458a_100000033712_100000729378 [0,2,0,0,0,0|2,0,0]=4 11243 B12R0.125 C[N+](C)(C)CC(=O)CCCCCO 1458a_100000033712_100000746330 [0,2,0,0,0,0|2,0,0]=4 11244 B12R0.125 C[N+](C)(C)CC(=O)NCCCCO 240690a_100000750430_100000033712 [0,2,0,0,0,0|2,0,0]=4 11245 B12R0.125 C[N+](C)(C)CC(=O)NCCCCO 527a_100000750430_100000033712 [0,2,0,0,0,0|2,0,0]=4 11246 B12R0.125 C[Si](C)(C)CC(=O)CCCCCF 1458a_100011218504_100000729378 [0,2,0,0,0,0|1,1,0]=4 11247 B12R0.125 C[Si](C)(C)CC(=O)CCCCCO 1458a_100011218504_100000746330 [0,2,0,0,0,0|1,1,0]=4 11248 B12R0.125 C[Si](C)(C)CC(=O)CCCCCO 1458a_100102619762_100000233785 [0,2,0,0,0,0|1,1,0]=4 11249 B12R0.202 C#CC(CC(C)C)OCCCCC 34a_100011215986_100000718602 [0,2,0,0,0,0|1,0,1]=4 11250 B12R0.202 C#CC(CC(C)C)OCCCCC 7a_100011215986_100000210326 [0,2,0,0,0,0|1,0,1]=4 11251 B12R0.202 C#CC(CC(C)C)OCCCCF 34a_100011215986_100000729493 [0,2,0,0,0,0|1,0,1]=4 11252 B12R0.202 C#CC(CC(C)C)OCCCCF 7a_100011215986_100000729493 [0,2,0,0,0,0|1,0,1]=4 11253 B12R0.202 C#CC(CC(C)C)OCCCCO 34a_100011215986_100011216708 [0,2,0,0,0,0|1,0,1]=4 11254 B12R0.202 C#CC(CC(C)C)OCCCCO 7a_100011215986_100000210776 [0,2,0,0,0,0|1,0,1]=4 11255 B12R0.202 C#CC(CC(C)C)OCCCOC 34a_100011215986_100000740836 [0,2,0,0,0,0|1,0,1]=4 11256 B12R0.202 C#CC(CC(C)C)OCCCOC 7a_100011215986_100000740836 [0,2,0,0,0,0|1,0,1]=4 11257 B12R0.202 C#CC(CC(C)C)OCCOCC 34a_100011215986_100000210147 [0,2,0,0,0,0|1,0,1]=4 11258 B12R0.202 C#CC(CC(C)C)OCCOCC 7a_100011215986_100011215890 [0,2,0,0,0,0|1,0,1]=4 11259 B12R0.202 C#CC(CC(C)C)OCCSCC 34a_100011215986_100000757381 [0,2,0,0,0,0|1,0,1]=4 11260 B12R0.202 C#CC(CC(C)C)OCCSCC 7a_100011215986_100000757381 [0,2,0,0,0,0|1,0,1]=4 11261 B12R0.202 C=CC(CC(C)C)OCCCCC 34a_100012186643_100000718602 [0,2,0,0,0,0|1,0,1]=4 11262 B12R0.202 C=CC(CC(C)C)OCCCCC 7a_100012186643_100000210326 [0,2,0,0,0,0|1,0,1]=4 11263 B12R0.202 C=CC(CC(C)C)OCCCCF 34a_100012186643_100000729493 [0,2,0,0,0,0|1,0,1]=4 11264 B12R0.202 C=CC(CC(C)C)OCCCCF 7a_100012186643_100000729493 [0,2,0,0,0,0|1,0,1]=4 11265 B12R0.202 C=CC(CC(C)C)OCCCCO 34a_100012186643_100011216708 [0,2,0,0,0,0|1,0,1]=4 11266 B12R0.202 C=CC(CC(C)C)OCCCCO 7a_100012186643_100000210776 [0,2,0,0,0,0|1,0,1]=4 11267 B12R0.202 C=CC(CC(C)C)OCCCOC 34a_100012186643_100000740836 [0,2,0,0,0,0|1,0,1]=4 11268 B12R0.202 C=CC(CC(C)C)OCCCOC 7a_100012186643_100000740836 [0,2,0,0,0,0|1,0,1]=4 11269 B12R0.202 C=CC(CC(C)C)OCCOCC 34a_100012186643_100000210147 [0,2,0,0,0,0|1,0,1]=4 11270 B12R0.202 C=CC(CC(C)C)OCCOCC 7a_100012186643_100011215890 [0,2,0,0,0,0|1,0,1]=4 11271 B12R0.202 C=CC(CC(C)C)OCCSCC 34a_100012186643_100000757381 [0,2,0,0,0,0|1,0,1]=4 11272 B12R0.202 C=CC(CC(C)C)OCCSCC 7a_100012186643_100000757381 [0,2,0,0,0,0|1,0,1]=4 11273 B12R0.202 CC(C)CC(C#N)OCCCCF 34a_200011294978_100000729493 [0,2,0,0,0,0|1,0,1]=4 11274 B12R0.202 CC(C)CC(C#N)OCCCCF 7a_200011294978_100000729493 [0,2,0,0,0,0|1,0,1]=4 11275 B12R0.202 CC(C)CC(C#N)OCCCCO 34a_200011294978_100011216708 [0,2,0,0,0,0|1,0,1]=4 11276 B12R0.202 CC(C)CC(C#N)OCCCCO 7a_200011294978_100000210776 [0,2,0,0,0,0|1,0,1]=4 11277 B12R0.202 CCCCCOC(C#N)CC(C)C 34a_200011294978_100000718602 [0,2,0,0,0,0|1,0,1]=4 11278 B12R0.202 CCCCCOC(C#N)CC(C)C 7a_200011294978_100000210326 [0,2,0,0,0,0|1,0,1]=4 11279 B12R0.202 CCCCNN=C(CC)CC(C)C 4a_100025702795_100011218768 [0,2,0,0,0,0|2,0,0]=4 11280 B12R0.202 CCCCOCC(CC)CC(C)C 34a_100012186708_100000210210 [0,2,0,0,0,0|1,0,1]=4 11281 B12R0.202 CCCCOCC(CC)CC(C)C 7a_100012186708_100000210211 [0,2,0,0,0,0|1,0,1]=4 11282 B12R0.202 CCCCOCC(CN)CC(C)C 34a_200000723437_100000210210 [0,2,0,0,0,0|1,0,1]=4 11283 B12R0.202 CCCCOCN(CC)CC(C)C 2230a_100000738554_100011995733 [0,2,0,0,0,0|2,0,0]=4 11284 B12R0.202 CCCCOCN(CC)CC(C)C 269982a_100000738554_100011995733 [0,2,0,0,0,0|2,0,0]=4 11285 B12R0.202 CCOCCOC(C#N)CC(C)C 34a_200011294978_100000210147 [0,2,0,0,0,0|1,0,1]=4 11286 B12R0.202 CCOCCOC(C#N)CC(C)C 7a_200011294978_100011215890 [0,2,0,0,0,0|1,0,1]=4 11287 B12R0.202 CCSCCOC(C#N)CC(C)C 34a_200011294978_100000757381 [0,2,0,0,0,0|1,0,1]=4 11288 B12R0.202 CCSCCOC(C#N)CC(C)C 7a_200011294978_100000757381 [0,2,0,0,0,0|1,0,1]=4 11289 B12R0.202 COCCCOC(C#N)CC(C)C 34a_200011294978_100000740836 [0,2,0,0,0,0|1,0,1]=4 11290 B12R0.202 COCCCOC(C#N)CC(C)C 7a_200011294978_100000740836 [0,2,0,0,0,0|1,0,1]=4 11291 B12R0.241 C#CC(C)SCOC(=O)OC(C)C 62a_200000035995_100000003507 [0,2,0,0,0,0|2,0,0]=4 11292 B12R0.241 C=CC(C)SCOC(=O)OC(C)C 62a_100011215867_100000003507 [0,2,0,0,0,0|2,0,0]=4 11293 B12R0.241 CC(C)CC(=O)CCCN(C)N=O 1458a_200000076914_100000210624 [0,2,0,0,0,0|2,0,0]=4 11294 B12R0.241 CC(C)CC(=O)NCCC(C)CO 240690a_106354213184_100000210554 [0,2,0,0,0,0|1,0,0]=3 11295 B12R0.241 CC(C)CC(=O)NCCC(C)CO 527a_106354213184_100000210554 [0,2,0,0,0,0|1,0,0]=3 11296 B12R0.241 CC(C)CC(=O)NNCC(C)C#N 22a_100000045663_100000210554 [0,2,0,0,0,0|2,0,0]=4 11297 B12R0.241 CC(C)NC(=O)COCC(Cl)CCl 34a_100000033668_100000183996 [0,2,0,0,0,0|2,0,0]=4 11298 B12R0.241 CC(C)NC(=O)COC[C@H](F)CN 34a_100015665980_100000183996 [0,2,0,0,0,0|2,0,0]=4 11299 B12R0.241 CC(C)OC(=O)COCC(Cl)CCl 34a_100000033668_100011215430 [0,2,0,0,0,0|2,0,0]=4 11300 B12R0.241 CC(C)OC(=O)COC[C@H](F)CN 34a_100015665980_100011215430 [0,2,0,0,0,0|2,0,0]=4 11301 B12R0.241 CC(C)OC(=O)OCSC(C)C#N 62a_100000003507_100000703298 [0,2,0,0,0,0|2,0,0]=4 11302 B12R0.241 CC(C)OC(=O)OCSC(C)C#N 62a_100000703298_100000003507 [0,2,0,0,0,0|2,0,0]=4 11303 B12R0.241 CC(C)OC(=O)OCSC(C)CO 62a_100012180447_100000003507 [0,2,0,0,0,0|2,0,0]=4 11304 B12R0.241 CC(C)OC(=O)OCS[C@H](C)CO 62a_100000003507_100016084084 [0,2,0,0,0,0|2,0,0]=4 11305 B12R0.241 CC(C)OC(=O)OCS[C@H](C)CO 62a_100016084084_100000003507 [0,2,0,0,0,0|2,0,0]=4 11306 B12R0.241 CC(CN)COCC(=O)NC(C)C 34a_100000744482_100000183996 [0,2,0,0,0,0|2,0,0]=4 11307 B12R0.241 CC(CN)COCC(=O)OC(C)C 34a_100000744482_100011215430 [0,2,0,0,0,0|2,0,0]=4 11308 B12R0.241 CC(CO)CCNC(=O)CN(C)C 240690a_106354213184_100000750896 [0,2,0,0,0,0|2,0,0]=4 11309 B12R0.241 CC(CO)CCNC(=O)CN(C)C 527a_106354213184_100000750896 [0,2,0,0,0,0|2,0,0]=4 11310 B12R0.241 CC(CO)CCNC(=O)C[C@@H](C)O 240690a_106354213184_100011933948 [0,2,0,0,0,0|2,0,0]=4 11311 B12R0.241 CC(CO)CCNC(=O)C[S+](C)C 240690a_106354213184_200159257847 [0,2,0,0,0,0|2,0,0]=4 11312 B12R0.241 CC(CO)CCNC(=O)C[S+](C)C 527a_106354213184_200159257847 [0,2,0,0,0,0|2,0,0]=4 11313 B12R0.241 CC(CO)CCNC(=O)NC(C)C 2708a_100138425928_106354213184 [0,2,0,0,0,0|2,0,0]=4 11314 B12R0.241 CC(CO)CCNC(=O)NC(C)C 273464a_100138425928_106354213184 [0,2,0,0,0,0|2,0,0]=4 11315 B12R0.241 CC(CO)CCNC(=O)NC(C)C 512a_100138425928_106354213184 [0,2,0,0,0,0|2,0,0]=4 11316 B12R0.241 CC(CO)CCNC(=O)NC(C)C 512a_106354213184_100138425928 [0,2,0,0,0,0|2,0,0]=4 11317 B12R0.241 CCC(=O)CCOC(=O)CC(=O)C 1458a_100000210414_100000102702 [0,2,0,0,0,0|1,0,1]=4 11318 B12R0.241 CCC(=O)COCC(=O)NC(C)C 34a_100000725409_100000183996 [0,2,0,0,0,0|1,0,1]=4 11319 B12R0.241 CCC(=O)COCC(=O)OC(C)C 34a_100000725409_100011215430 [0,2,0,0,0,0|1,0,1]=4 11320 B12R0.241 CCC(C)C=NNC(=O)CC(C)C 4a_100000189787_100000243153 [0,2,0,0,0,0|1,0,1]=4 11321 B12R0.241 CCC(C)CCNC(=O)CC(C)C 11a_100020591266_100000210554 [0,2,0,0,0,0|1,0,0]=3 11322 B12R0.241 CCC(C)CCNC(=O)CC(C)C 1626a_100020591266_100000210554 [0,2,0,0,0,0|1,0,0]=3 11323 B12R0.241 CCC(C)CCNC(=O)CC(C)C 240690a_100020591266_100000210554 [0,2,0,0,0,0|1,0,0]=3 11324 B12R0.241 CCC(C)CCNC(=O)CC(C)C 527a_100020591266_100000210554 [0,2,0,0,0,0|1,0,0]=3 11325 B12R0.241 CCC(C)CCNC(=O)CN(C)C 11a_100020591266_100000750896 [0,2,0,0,0,0|2,0,0]=4 11326 B12R0.241 CCC(C)CCNC(=O)CN(C)C 240690a_100020591266_100000750896 [0,2,0,0,0,0|2,0,0]=4 11327 B12R0.241 CCC(C)CCNC(=O)CN(C)C 527a_100020591266_100000750896 [0,2,0,0,0,0|2,0,0]=4 11328 B12R0.241 CCC(C)CCNC(=O)C[C@@H](C)O 240690a_100020591266_100011933948 [0,2,0,0,0,0|2,0,0]=4 11329 B12R0.241 CCC(C)CCNC(=O)C[S+](C)C 11a_100020591266_200159257847 [0,2,0,0,0,0|2,0,0]=4 11330 B12R0.241 CCC(C)CCNC(=O)C[S+](C)C 1626a_100020591266_200159257847 [0,2,0,0,0,0|2,0,0]=4 11331 B12R0.241 CCC(C)CCNC(=O)C[S+](C)C 240690a_100020591266_200159257847 [0,2,0,0,0,0|2,0,0]=4 11332 B12R0.241 CCC(C)CCNC(=O)C[S+](C)C 527a_100020591266_200159257847 [0,2,0,0,0,0|2,0,0]=4 11333 B12R0.241 CCC(C)CCNC(=O)NC(C)C 2708a_100020591266_100138425928 [0,2,0,0,0,0|2,0,0]=4 11334 B12R0.241 CCC(C)CCNC(=O)NC(C)C 2708a_100138425928_100020591266 [0,2,0,0,0,0|2,0,0]=4 11335 B12R0.241 CCC(C)CCNC(=O)NC(C)C 273464a_100138425928_100020591266 [0,2,0,0,0,0|2,0,0]=4 11336 B12R0.241 CCC(C)CCNC(=O)NC(C)C 512a_100020591266_100138425928 [0,2,0,0,0,0|2,0,0]=4 11337 B12R0.241 CCC(C)CCNC(=O)NC(C)C 512a_100138425928_100020591266 [0,2,0,0,0,0|2,0,0]=4 11338 B12R0.241 CCC(C)CCOC(C)CC(C)C 7a_100011215188_100000731052 [0,2,0,0,0,0|1,0,1]=4 11339 B12R0.241 CCC(C)CNCC(=O)NC(C)C 2230a_100000168517_100000748023 [0,2,0,0,0,0|2,0,0]=4 11340 B12R0.241 CCC(C)CNCC(=O)NC(C)C 2230a_100020588543_100000183996 [0,2,0,0,0,0|2,0,0]=4 11341 B12R0.241 CCC(C)CNCC(=O)NC(C)C 270004a_100000168517_100000243153 [0,2,0,0,0,0|2,0,0]=4 11342 B12R0.241 CCC(C)CNCC(=O)OC(C)C 2230a_100020588543_100011215430 [0,2,0,0,0,0|2,0,0]=4 11343 B12R0.241 CCC(C)COC[C@@H](N)CC(C)C 34a_100011830311_100000748023 [0,2,0,0,0,0|1,0,1]=4 11344 B12R0.241 CCC(C)CSCC(=O)NC(C)C 62a_100000183996_100000748023 [0,2,0,0,0,0|1,1,0]=4 11345 B12R0.241 CCC(C)CSCC(=O)NC(C)C 62a_100000748023_100000183996 [0,2,0,0,0,0|1,1,0]=4 11346 B12R0.241 CCC(C)CSCC(=O)OC(C)C 62a_100000748023_100011215430 [0,2,0,0,0,0|1,1,0]=4 11347 B12R0.241 CCC(C)CSCC(=O)OC(C)C 62a_100011215430_100000748023 [0,2,0,0,0,0|1,1,0]=4 11348 B12R0.241 CCC(C)NCCC(=O)NC(C)C 2230a_100000209981_100000737564 [0,2,0,0,0,0|2,0,0]=4 11349 B12R0.241 CCC(C)NCCC(=O)OC(C)C 2230a_100000209981_100000760027 [0,2,0,0,0,0|2,0,0]=4 11350 B12R0.241 CCC(C)OCCC(=O)NC(C)C 7a_100000210228_100000737564 [0,2,0,0,0,0|2,0,0]=4 11351 B12R0.241 CCC(C)OCCC(=O)OC(C)C 7a_100000210228_100000760027 [0,2,0,0,0,0|2,0,0]=4 11352 B12R0.241 CCC(C)SCCC(=O)NC(C)C 62a_100000737564_100000758301 [0,2,0,0,0,0|2,0,0]=4 11353 B12R0.241 CCC(C)SCCC(=O)NC(C)C 62a_100000758301_100000737564 [0,2,0,0,0,0|2,0,0]=4 11354 B12R0.241 CCC(C)SCCC(=O)OC(C)C 62a_100000758301_100000760027 [0,2,0,0,0,0|2,0,0]=4 11355 B12R0.241 CCC(C)SCCC(=O)OC(C)C 62a_100000760027_100000758301 [0,2,0,0,0,0|2,0,0]=4 11356 B12R0.241 CCC(C)SCOC(=O)OC(C)C 62a_100000003507_100000758301 [0,2,0,0,0,0|1,0,0]=3 11357 B12R0.241 CCC(C)SCOC(=O)OC(C)C 62a_100000758301_100000003507 [0,2,0,0,0,0|1,0,0]=3 11358 B12R0.241 CCC(O)CNCC(=O)NC(C)C 2230a_100000168517_100011218378 [0,2,0,0,0,0|2,0,0]=4 11359 B12R0.241 CCC(O)CNCC(=O)NC(C)C 2230a_100011218483_100000183996 [0,2,0,0,0,0|2,0,0]=4 11360 B12R0.241 CCC(O)CNCC(=O)OC(C)C 2230a_100011218483_100011215430 [0,2,0,0,0,0|2,0,0]=4 11361 B12R0.241 CCC(O)CNNC(=O)CC(C)C 22a_100015206393_100000210554 [0,2,0,0,0,0|1,0,0]=3 11362 B12R0.241 CCC(O)CNNC(=O)CN(C)C 22a_100015206393_100000750896 [0,2,0,0,0,0|2,0,0]=4 11363 B12R0.241 CCC(O)CNNC(=O)C[C@@H](C)O 22a_100015206393_100011933948 [0,2,0,0,0,0|2,0,0]=4 11364 B12R0.241 CCC(O)CNNC(=O)C[S+](C)C 22a_100015206393_200159257847 [0,2,0,0,0,0|2,0,0]=4 11365 B12R0.241 CCC(O)CNNC(=O)NC(C)C 273464a_100138425928_100015206393 [0,2,0,0,0,0|2,0,0]=4 11366 B12R0.241 CCC(O)CNNC(=O)NC(C)C 512a_100015206393_100138425928 [0,2,0,0,0,0|2,0,0]=4 11367 B12R0.241 CCC(O)CNNC(=O)NC(C)C 512a_100138425928_100015206393 [0,2,0,0,0,0|2,0,0]=4 11368 B12R0.241 CCC(O)COC[C@@H](N)CC(C)C 34a_100011830311_100011218378 [0,2,0,0,0,0|1,0,1]=4 11369 B12R0.241 CCC(O)CSCC(=O)NC(C)C 62a_100000183996_100011218378 [0,2,0,0,0,0|1,1,0]=4 11370 B12R0.241 CCC(O)CSCC(=O)NC(C)C 62a_100011218378_100000183996 [0,2,0,0,0,0|1,1,0]=4 11371 B12R0.241 CCC(O)CSCC(=O)OC(C)C 62a_100011215430_100011218378 [0,2,0,0,0,0|1,1,0]=4 11372 B12R0.241 CCC(O)CSCC(=O)OC(C)C 62a_100011218378_100011215430 [0,2,0,0,0,0|1,1,0]=4 11373 B12R0.241 CCN(C)CCCC(=O)CC(C)C 1458a_100000210554_100015186262 [0,2,0,0,0,0|1,0,0]=3 11374 B12R0.241 CCN(C)CCCC(=O)CN(C)C 1458a_100000750896_100015186262 [0,2,0,0,0,0|2,0,0]=4 11375 B12R0.241 CCN(C)CCCC(=O)C[C@@H](C)O 1458a_100011933948_100015186262 [0,2,0,0,0,0|2,0,0]=4 11376 B12R0.241 CCN(C)CCCC(=O)C[S+](C)C 1458a_200159257847_100015186262 [0,2,0,0,0,0|2,0,0]=4 11377 B12R0.241 CCN(C)CCOC(=O)CC(=O)C 269982a_100000225621_100000102702 [0,2,0,0,0,0|1,0,1]=4 11378 B12R0.241 CC[C@H](C)CNCC(=O)NC(C)C 2230a_100000168517_100009816398 [0,2,0,0,0,0|2,0,0]=4 11379 B12R0.241 CC[C@H](C)COCC(=O)NC(C)C 7a_100009816381_100000183996 [0,2,0,0,0,0|1,0,0]=3 11380 B12R0.241 CC[C@H](C)COCC(=O)OC(C)C 7a_100009816381_100011215430 [0,2,0,0,0,0|1,0,0]=3 11381 B12R0.241 CC[C@H](C)COC[C@@H](N)CC(C)C 34a_100011830311_100009816398 [0,2,0,0,0,0|1,0,1]=4 11382 B12R0.241 CC[C@H](C)CSCC(=O)NC(C)C 62a_100000183996_100009816398 [0,2,0,0,0,0|1,1,0]=4 11383 B12R0.241 CC[C@H](C)CSCC(=O)NC(C)C 62a_100009816398_100000183996 [0,2,0,0,0,0|1,1,0]=4 11384 B12R0.241 CC[C@H](C)CSCC(=O)OC(C)C 62a_100009816398_100011215430 [0,2,0,0,0,0|1,1,0]=4 11385 B12R0.241 CC[C@H](C)CSCC(=O)OC(C)C 62a_100011215430_100009816398 [0,2,0,0,0,0|1,1,0]=4 11386 B12R0.241 CNC(=O)CCCC(=O)CC(C)C 1458a_100000210554_100000741757 [0,2,0,0,0,0|1,0,1]=4 11387 B12R0.241 CNC(=O)CCNC(=O)CC(C)C 11a_100000738227_100000210554 [0,2,0,0,0,0|1,0,1]=4 11388 B12R0.241 CNC(=O)CCNC(=O)CC(C)C 240690a_100000738227_100000210554 [0,2,0,0,0,0|1,0,1]=4 11389 B12R0.241 CNC(=O)CCNC(=O)CC(C)C 527a_100000738227_100000210554 [0,2,0,0,0,0|1,0,1]=4 11390 B12R0.241 COC(=O)CCCC(=O)CC(C)C 1458a_100000210554_100011218270 [0,2,0,0,0,0|1,0,1]=4 11391 B12R0.241 COC(=O)CCCC(=O)CC(C)C 1458a_100000239890_100000210624 [0,2,0,0,0,0|1,0,1]=4 11392 B12R0.241 COC(=O)CCNC(=O)CC(C)C 188690a_100000683876_100000210554 [0,2,0,0,0,0|1,0,1]=4 11393 B12R0.241 COC(C)CCOC(C)CC(C)C 7a_100000764861_100000731052 [0,2,0,0,0,0|1,0,1]=4 11394 B12R0.241 COC(C)COCC(=O)NC(C)C 34a_100000690652_100000183996 [0,2,0,0,0,0|2,0,0]=4 11395 B12R0.241 COC(C)COCC(=O)OC(C)C 34a_100000690652_100011215430 [0,2,0,0,0,0|2,0,0]=4 11396 B12R0.241 COC(C)SCOC(=O)OC(C)C 62a_100000003507_100009879195 [0,2,0,0,0,0|2,0,0]=4 11397 B12R0.241 COC(C)SCOC(=O)OC(C)C 62a_100009879195_100000003507 [0,2,0,0,0,0|2,0,0]=4 11398 B12R0.270 C=C(C)CCOCC(=O)NC(C)C 34a_100000764851_100000183996 [0,2,0,0,0,0|1,0,1]=4 11399 B12R0.270 C=C(C)CCOCC(=O)OC(C)C 34a_100000764851_100011215430 [0,2,0,0,0,0|1,0,1]=4 11400 B12R0.270 C=C(C)CSCOC(=O)OC(C)C 62a_100000003507_100000211660 [0,2,0,0,0,0|1,0,1]=4 11401 B12R0.270 C=C(C)CSCOC(=O)OC(C)C 62a_100000748629_100000003507 [0,2,0,0,0,0|1,0,1]=4 11402 B12R0.270 CC(=O)CC(=O)OCCNC(C)C 34a_100138425928_100000102702 [0,2,0,0,0,0|1,0,1]=4 11403 B12R0.270 CC(=O)CC(=O)OCCOC(C)C 34a_100000212225_100000102702 [0,2,0,0,0,0|1,0,1]=4 11404 B12R0.270 CC(=O)CC(=O)OCCSC(C)C 62a_100000102702_100000210206 [0,2,0,0,0,0|1,0,1]=4 11405 B12R0.270 CC(=O)CC(=O)OCCSC(C)C 62a_100000210206_100000102702 [0,2,0,0,0,0|1,0,1]=4 11406 B12R0.270 CC(=O)CCCCC(=O)CC(C)C 1458a_100000210554_100000735457 [0,2,0,0,0,0|1,0,0]=3 11407 B12R0.270 CC(=O)CCCCC(=O)CN(C)C 1458a_100000750896_100000735457 [0,2,0,0,0,0|2,0,0]=4 11408 B12R0.270 CC(=O)CCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000735457 [0,2,0,0,0,0|2,0,0]=4 11409 B12R0.270 CC(=O)CCCCC(=O)C[S+](C)C 1458a_200159257847_100000735457 [0,2,0,0,0,0|2,0,0]=4 11410 B12R0.270 CC(=O)CCCOC(C)CC(C)C 34a_100000211805_100000685027 [0,2,0,0,0,0|1,0,1]=4 11411 B12R0.270 CC(=O)CCCOC(C)CC(C)C 34a_100000759063_100000731052 [0,2,0,0,0,0|1,0,1]=4 11412 B12R0.270 CC(=O)CCCOC(C)CC(C)C 7a_100000211805_100011215641 [0,2,0,0,0,0|1,0,1]=4 11413 B12R0.270 CC(=O)CCCOC(C)CC(C)C 7a_100000759063_100000731052 [0,2,0,0,0,0|1,0,1]=4 11414 B12R0.270 CC(=O)CCOCC(=O)NC(C)C 34a_100000759926_100000183996 [0,2,0,0,0,0|1,0,1]=4 11415 B12R0.270 CC(=O)CCOCC(=O)NC(C)C 7a_100000759926_100000183996 [0,2,0,0,0,0|1,0,1]=4 11416 B12R0.270 CC(=O)CCOCC(=O)OC(C)C 34a_100000759926_100011215430 [0,2,0,0,0,0|1,0,1]=4 11417 B12R0.270 CC(=O)CCOCC(=O)OC(C)C 7a_100000759926_100011215430 [0,2,0,0,0,0|1,0,1]=4 11418 B12R0.270 CC(=O)NCCCC(=O)CC(C)C 1458a_100000194741_100000210624 [0,2,0,0,0,0|1,0,1]=4 11419 B12R0.270 CC(=O)NCCNC(=O)CC(C)C 240690a_100000209853_100000210554 [0,2,0,0,0,0|1,0,1]=4 11420 B12R0.270 CC(=O)NCCNC(=O)CC(C)C 527a_100000209853_100000210554 [0,2,0,0,0,0|1,0,1]=4 11421 B12R0.270 CC(=O)OCCCC(=O)CC(C)C 1458a_100000210554_100000042594 [0,2,0,0,0,0|1,0,1]=4 11422 B12R0.270 CC(=O)OCCNC(=O)CC(C)C 11a_100000724843_100000210554 [0,2,0,0,0,0|1,0,1]=4 11423 B12R0.270 CC(=O)OCCNC(=O)CC(C)C 240690a_100000724843_100000210554 [0,2,0,0,0,0|1,0,1]=4 11424 B12R0.270 CC(=O)OCCNC(=O)CC(C)C 527a_100000724843_100000210554 [0,2,0,0,0,0|1,0,1]=4 11425 B12R0.270 CC(=O)SCCCC(=O)CC(C)C 1458a_100000210554_100000038929 [0,2,0,0,0,0|1,0,1]=4 11426 B12R0.270 CC(=O)SCCNC(=O)CC(C)C 11a_100020647217_100000210554 [0,2,0,0,0,0|1,0,1]=4 11427 B12R0.270 CC(=O)SCCNC(=O)CC(C)C 240690a_100020647217_100000210554 [0,2,0,0,0,0|1,0,1]=4 11428 B12R0.270 CC(=O)SCCNC(=O)CC(C)C 527a_100020647217_100000210554 [0,2,0,0,0,0|1,0,1]=4 11429 B12R0.270 CC(=S)OCCCC(=O)CC(C)C 1458a_100000210554_200135323944 [0,2,0,0,0,0|1,0,1]=4 11430 B12R0.270 CC(Br)CCOCC(=O)NC(C)C 34a_100009893172_100000183996 [0,2,0,0,0,0|1,0,0]=3 11431 B12R0.270 CC(Br)CCOCC(=O)OC(C)C 34a_100009893172_100011215430 [0,2,0,0,0,0|1,0,0]=3 11432 B12R0.270 CC(C)CC(=O)CCCCB(O)O 1458a_100000210554_200009817182 [0,2,0,0,0,0|2,0,0]=4 11433 B12R0.270 CC(C)CC(=O)CCOCC(F)F 1458a_100000210554_200012177212 [0,2,0,0,0,0|2,0,0]=4 11434 B12R0.270 CC(C)CC(=O)NCCCC(=O)N 240690a_100000739312_100000210554 [0,2,0,0,0,0|1,0,1]=4 11435 B12R0.270 CC(C)CC(=O)NCCCC(=O)N 527a_100000739312_100000210554 [0,2,0,0,0,0|1,0,1]=4 11436 B12R0.270 CC(C)CC(=O)NCCCN(C)C 240690a_102531767803_100000210554 [0,2,0,0,0,0|1,0,0]=3 11437 B12R0.270 CC(C)CC(=O)NCCCN(C)C 527a_102531767803_100000210554 [0,2,0,0,0,0|1,0,0]=3 11438 B12R0.270 CC(C)CC(=O)NCCCS(=O)C 11a_200000753449_100000210554 [0,2,0,0,0,0|1,0,0]=3 11439 B12R0.270 CC(C)CC(=O)NCCCS(=O)C 240690a_200000753449_100000210554 [0,2,0,0,0,0|1,0,0]=3 11440 B12R0.270 CC(C)CC(=O)NCCCS(=O)C 527a_200000753449_100000210554 [0,2,0,0,0,0|1,0,0]=3 11441 B12R0.270 CC(C)CC(=O)NCCOC(C)C 11a_100000701111_100000210554 [0,2,0,0,0,0|1,0,0]=3 11442 B12R0.270 CC(C)CC(=O)NCCOC(C)C 1626a_100000701111_100000210554 [0,2,0,0,0,0|1,0,0]=3 11443 B12R0.270 CC(C)CC(=O)NCCOC(C)C 240690a_100000701111_100000210554 [0,2,0,0,0,0|1,0,0]=3 11444 B12R0.270 CC(C)CC(=O)NCCOC(C)C 527a_100000701111_100000210554 [0,2,0,0,0,0|1,0,0]=3 11445 B12R0.270 CC(C)CC(=O)NCCSC(C)C 11a_100000731138_100000210554 [0,2,0,0,0,0|1,0,0]=3 11446 B12R0.270 CC(C)CC(=O)NCCSC(C)C 1626a_100000731138_100000210554 [0,2,0,0,0,0|1,0,0]=3 11447 B12R0.270 CC(C)CC(=O)NCCSC(C)C 240690a_100000731138_100000210554 [0,2,0,0,0,0|1,0,0]=3 11448 B12R0.270 CC(C)CC(=O)NCCSC(C)C 527a_100000731138_100000210554 [0,2,0,0,0,0|1,0,0]=3 11449 B12R0.270 CC(C)CC(=O)NNCCN(C)C 22a_100000738145_100000210554 [0,2,0,0,0,0|2,0,0]=4 11450 B12R0.270 CC(C)CC(C)OCCCC(C)O 34a_100000211805_200000718107 [0,2,0,0,0,0|1,0,1]=4 11451 B12R0.270 CC(C)CC(C)OCCCC(C)O 7a_100000211805_200000718107 [0,2,0,0,0,0|1,0,1]=4 11452 B12R0.270 CC(C)CC(C)OCCCN(C)C 7a_100000211805_100000757444 [0,2,0,0,0,0|1,0,1]=4 11453 B12R0.270 CC(C)CC(C)OCCNC(C)C 34a_100000224655_100000731052 [0,2,0,0,0,0|1,0,1]=4 11454 B12R0.270 CC(C)CC(C)OCCOC(C)C 34a_100000211219_100000731052 [0,2,0,0,0,0|1,0,1]=4 11455 B12R0.270 CC(C)CC(C)OCCOC(C)C 34a_100000211805_100000211751 [0,2,0,0,0,0|1,0,1]=4 11456 B12R0.270 CC(C)CC(C)OCCOC(C)C 7a_100000211219_100000731052 [0,2,0,0,0,0|1,0,1]=4 11457 B12R0.270 CC(C)CC(C)OCCOC(C)C 7a_100000211805_100000211751 [0,2,0,0,0,0|1,0,1]=4 11458 B12R0.270 CC(C)CC(C)OCCSC(C)C 34a_100000211805_100000730970 [0,2,0,0,0,0|1,0,1]=4 11459 B12R0.270 CC(C)CC(C)OCCSC(C)C 34a_200011212901_100000731052 [0,2,0,0,0,0|1,0,1]=4 11460 B12R0.270 CC(C)CC(C)OCCSC(C)C 7a_100000211805_100000730970 [0,2,0,0,0,0|1,0,1]=4 11461 B12R0.270 CC(C)CC(C)OCCSC(C)C 7a_200011212901_100000731052 [0,2,0,0,0,0|1,0,1]=4 11462 B12R0.270 CC(C)CC=NNC(=O)CC(C)C 4a_100000189787_100000185833 [0,2,0,0,0,0|1,0,1]=4 11463 B12R0.270 CC(C)CCCCC(=O)CC(C)C 1458a_100000210554_100011216152 [0,2,0,0,0,0|1,0,0]=3 11464 B12R0.270 CC(C)CCCCC(=O)CC(C)C 1458a_100011933920_100000210624 [0,2,0,0,0,0|1,0,0]=3 11465 B12R0.270 CC(C)CCCCC(=O)CC(C)O 1458a_100011933920_100011218427 [0,2,0,0,0,0|2,0,0]=4 11466 B12R0.270 CC(C)CCCCC(=O)CN(C)C 1458a_100000750896_100011216152 [0,2,0,0,0,0|2,0,0]=4 11467 B12R0.270 CC(C)CCCCC(=O)C[C@@H](C)O 1458a_100011933948_100011216152 [0,2,0,0,0,0|2,0,0]=4 11468 B12R0.270 CC(C)CCCCC(=O)C[S+](C)C 1458a_200159257847_100011216152 [0,2,0,0,0,0|2,0,0]=4 11469 B12R0.270 CC(C)CCCCC(=O)NC(C)C 11a_100138425928_100011933920 [0,2,0,0,0,0|2,0,0]=4 11470 B12R0.270 CC(C)CCCCC(=O)NC(C)C 1626a_100138425928_100011933920 [0,2,0,0,0,0|2,0,0]=4 11471 B12R0.270 CC(C)CCCCC(=O)NC(C)C 240690a_100138425928_100011933920 [0,2,0,0,0,0|2,0,0]=4 11472 B12R0.270 CC(C)CCCCC(=O)NC(C)C 527a_100138425928_100011933920 [0,2,0,0,0,0|2,0,0]=4 11473 B12R0.270 CC(C)CCCNC(=O)CC(C)C 11a_200000737386_100000210554 [0,2,0,0,0,0|1,0,0]=3 11474 B12R0.270 CC(C)CCCNC(=O)CC(C)C 1626a_200000737386_100000210554 [0,2,0,0,0,0|1,0,0]=3 11475 B12R0.270 CC(C)CCCNC(=O)CC(C)C 240690a_200000737386_100000210554 [0,2,0,0,0,0|1,0,0]=3 11476 B12R0.270 CC(C)CCCNC(=O)CC(C)C 527a_200000737386_100000210554 [0,2,0,0,0,0|1,0,0]=3 11477 B12R0.270 CC(C)CCCNC(=O)CN(C)C 11a_200000737386_100000750896 [0,2,0,0,0,0|2,0,0]=4 11478 B12R0.270 CC(C)CCCNC(=O)CN(C)C 240690a_200000737386_100000750896 [0,2,0,0,0,0|2,0,0]=4 11479 B12R0.270 CC(C)CCCNC(=O)CN(C)C 527a_200000737386_100000750896 [0,2,0,0,0,0|2,0,0]=4 11480 B12R0.270 CC(C)CCCNC(=O)C[C@@H](C)O 240690a_200000737386_100011933948 [0,2,0,0,0,0|2,0,0]=4 11481 B12R0.270 CC(C)CCCNC(=O)C[S+](C)C 11a_200000737386_200159257847 [0,2,0,0,0,0|2,0,0]=4 11482 B12R0.270 CC(C)CCCNC(=O)C[S+](C)C 1626a_200000737386_200159257847 [0,2,0,0,0,0|2,0,0]=4 11483 B12R0.270 CC(C)CCCNC(=O)C[S+](C)C 240690a_200000737386_200159257847 [0,2,0,0,0,0|2,0,0]=4 11484 B12R0.270 CC(C)CCCNC(=O)C[S+](C)C 527a_200000737386_200159257847 [0,2,0,0,0,0|2,0,0]=4 11485 B12R0.270 CC(C)CCCNC(=O)NC(C)C 2708a_100138425928_200000737386 [0,2,0,0,0,0|2,0,0]=4 11486 B12R0.270 CC(C)CCCNC(=O)NC(C)C 2708a_200000737386_100138425928 [0,2,0,0,0,0|2,0,0]=4 11487 B12R0.270 CC(C)CCCNC(=O)NC(C)C 273464a_100138425928_200000737386 [0,2,0,0,0,0|2,0,0]=4 11488 B12R0.270 CC(C)CCCNC(=O)NC(C)C 512a_100138425928_200000737386 [0,2,0,0,0,0|2,0,0]=4 11489 B12R0.270 CC(C)CCCNC(=O)NC(C)C 512a_200000737386_100138425928 [0,2,0,0,0,0|2,0,0]=4 11490 B12R0.270 CC(C)CCCOC(C)CC(C)C 34a_100000210774_100000731052 [0,2,0,0,0,0|1,0,1]=4 11491 B12R0.270 CC(C)CCCOC(C)CC(C)C 34a_100000211805_100011214892 [0,2,0,0,0,0|1,0,1]=4 11492 B12R0.270 CC(C)CCCOC(C)CC(C)C 7a_100000210774_100000731052 [0,2,0,0,0,0|1,0,1]=4 11493 B12R0.270 CC(C)CCCOC(C)CC(C)C 7a_100000211805_100011214892 [0,2,0,0,0,0|1,0,1]=4 11494 B12R0.270 CC(C)CCNCC(=O)NC(C)C 2230a_100000168517_100000210312 [0,2,0,0,0,0|2,0,0]=4 11495 B12R0.270 CC(C)CCNCC(=O)NC(C)C 269862a_100000168517_100000185833 [0,2,0,0,0,0|2,0,0]=4 11496 B12R0.270 CC(C)CCOCC(=O)NC(C)C 34a_100000210254_100000183996 [0,2,0,0,0,0|1,0,0]=3 11497 B12R0.270 CC(C)CCOCC(=O)NC(C)C 7a_100000210254_100000183996 [0,2,0,0,0,0|1,0,0]=3 11498 B12R0.270 CC(C)CCOCC(=O)OC(C)C 34a_100000210254_100011215430 [0,2,0,0,0,0|1,0,0]=3 11499 B12R0.270 CC(C)CCOCC(=O)OC(C)C 7a_100000210254_100011215430 [0,2,0,0,0,0|1,0,0]=3 11500 B12R0.270 CC(C)CCOC[C@@H](N)CC(C)C 34a_100011830311_100000210312 [0,2,0,0,0,0|1,0,1]=4 11501 B12R0.270 CC(C)CCSCC(=O)NC(C)C 62a_100000183996_100000210312 [0,2,0,0,0,0|1,1,0]=4 11502 B12R0.270 CC(C)CCSCC(=O)NC(C)C 62a_100000210312_100000183996 [0,2,0,0,0,0|1,1,0]=4 11503 B12R0.270 CC(C)CCSCC(=O)OC(C)C 62a_100000210312_100011215430 [0,2,0,0,0,0|1,1,0]=4 11504 B12R0.270 CC(C)CCSCC(=O)OC(C)C 62a_100011215430_100000210312 [0,2,0,0,0,0|1,1,0]=4 11505 B12R0.270 CC(C)CNCCC(=O)NC(C)C 2230a_100000210953_100000737564 [0,2,0,0,0,0|2,0,0]=4 11506 B12R0.270 CC(C)CNCCC(=O)OC(C)C 2230a_100000210953_100000760027 [0,2,0,0,0,0|2,0,0]=4 11507 B12R0.270 CC(C)CSCCC(=O)NC(C)C 62a_100000210624_100000737564 [0,2,0,0,0,0|2,0,0]=4 11508 B12R0.270 CC(C)CSCCC(=O)NC(C)C 62a_100000737564_100000210760 [0,2,0,0,0,0|2,0,0]=4 11509 B12R0.270 CC(C)CSCCC(=O)OC(C)C 62a_100000210624_100000760027 [0,2,0,0,0,0|2,0,0]=4 11510 B12R0.270 CC(C)CSCCC(=O)OC(C)C 62a_100000760027_100000210760 [0,2,0,0,0,0|2,0,0]=4 11511 B12R0.270 CC(C)CSCOC(=O)OC(C)C 62a_100000003507_100000210760 [0,2,0,0,0,0|1,0,0]=3 11512 B12R0.270 CC(C)CSCOC(=O)OC(C)C 62a_100000210624_100000003507 [0,2,0,0,0,0|1,0,0]=3 11513 B12R0.270 CC(C)C[C@H](N)COCCC(C)O 34a_100011830311_100012276601 [0,2,0,0,0,0|1,0,1]=4 11514 B12R0.270 CC(C)NC(=O)CCCCN(C)C 11a_100138425928_100000751710 [0,2,0,0,0,0|2,0,0]=4 11515 B12R0.270 CC(C)NC(=O)CCCCN(C)C 240690a_100138425928_100000751710 [0,2,0,0,0,0|2,0,0]=4 11516 B12R0.270 CC(C)NC(=O)CCCCN(C)C 527a_100138425928_100000751710 [0,2,0,0,0,0|2,0,0]=4 11517 B12R0.270 CC(C)NC(=O)CCSC[C@@H](C)O 62a_100000737564_100009817552 [0,2,0,0,0,0|2,0,0]=4 11518 B12R0.270 CC(C)NC(=O)CCSC[C@@H](C)O 62a_100009817552_100000737564 [0,2,0,0,0,0|2,0,0]=4 11519 B12R0.270 CC(C)NC(=O)COCCC(F)F 34a_100103093639_100000183996 [0,2,0,0,0,0|2,0,0]=4 11520 B12R0.270 CC(C)NC(=O)COCC[C@@H](C)N 34a_100000706166_100000183996 [0,2,0,0,0,0|1,0,0]=3 11521 B12R0.270 CC(C)NC(=O)NCCCN(C)C 2708a_100138425928_102531767803 [0,2,0,0,0,0|2,0,0]=4 11522 B12R0.270 CC(C)NC(=O)NCCCN(C)C 273464a_100138425928_102531767803 [0,2,0,0,0,0|2,0,0]=4 11523 B12R0.270 CC(C)NC(=O)NCCCN(C)C 512a_100138425928_102531767803 [0,2,0,0,0,0|2,0,0]=4 11524 B12R0.270 CC(C)NC(=O)NCCCN(C)C 512a_102531767803_100138425928 [0,2,0,0,0,0|2,0,0]=4 11525 B12R0.270 CC(C)NC(=O)NCCCS(=O)C 2708a_100138425928_200000753449 [0,2,0,0,0,0|2,0,0]=4 11526 B12R0.270 CC(C)NC(=O)NCCCS(=O)C 2708a_200000753449_100138425928 [0,2,0,0,0,0|2,0,0]=4 11527 B12R0.270 CC(C)NC(=O)NCCCS(=O)C 273464a_100138425928_200000753449 [0,2,0,0,0,0|2,0,0]=4 11528 B12R0.270 CC(C)NC(=O)NCCCS(=O)C 512a_100138425928_200000753449 [0,2,0,0,0,0|2,0,0]=4 11529 B12R0.270 CC(C)NC(=O)NCCCS(=O)C 512a_200000753449_100138425928 [0,2,0,0,0,0|2,0,0]=4 11530 B12R0.270 CC(C)NC(=O)NCCOC(C)C 2708a_100000701111_100138425928 [0,2,0,0,0,0|2,0,0]=4 11531 B12R0.270 CC(C)NC(=O)NCCOC(C)C 2708a_100138425928_100000701111 [0,2,0,0,0,0|2,0,0]=4 11532 B12R0.270 CC(C)NC(=O)NCCOC(C)C 273464a_100138425928_100000701111 [0,2,0,0,0,0|2,0,0]=4 11533 B12R0.270 CC(C)NC(=O)NCCOC(C)C 512a_100000701111_100138425928 [0,2,0,0,0,0|2,0,0]=4 11534 B12R0.270 CC(C)NC(=O)NCCOC(C)C 512a_100138425928_100000701111 [0,2,0,0,0,0|2,0,0]=4 11535 B12R0.270 CC(C)NC(=O)NCCSC(C)C 2708a_100000731138_100138425928 [0,2,0,0,0,0|2,0,0]=4 11536 B12R0.270 CC(C)NC(=O)NCCSC(C)C 2708a_100138425928_100000731138 [0,2,0,0,0,0|2,0,0]=4 11537 B12R0.270 CC(C)NC(=O)NCCSC(C)C 273464a_100138425928_100000731138 [0,2,0,0,0,0|2,0,0]=4 11538 B12R0.270 CC(C)NC(=O)NCCSC(C)C 512a_100000731138_100138425928 [0,2,0,0,0,0|2,0,0]=4 11539 B12R0.270 CC(C)NC(=O)NCCSC(C)C 512a_100138425928_100000731138 [0,2,0,0,0,0|2,0,0]=4 11540 B12R0.270 CC(C)OC(=O)CCSC[C@@H](C)O 62a_100000760027_100009817552 [0,2,0,0,0,0|2,0,0]=4 11541 B12R0.270 CC(C)OC(=O)CCSC[C@@H](C)O 62a_100009817552_100000760027 [0,2,0,0,0,0|2,0,0]=4 11542 B12R0.270 CC(C)OC(=O)COCCC(F)F 34a_100103093639_100011215430 [0,2,0,0,0,0|2,0,0]=4 11543 B12R0.270 CC(C)OC(=O)COCC[C@@H](C)N 34a_100000706166_100011215430 [0,2,0,0,0,0|1,0,0]=3 11544 B12R0.270 CC(C)OC(=O)OCSCC(F)F 62a_100000003507_100011934356 [0,2,0,0,0,0|2,0,0]=4 11545 B12R0.270 CC(C)OC(=O)OCSCC(F)F 62a_100011934356_100000003507 [0,2,0,0,0,0|2,0,0]=4 11546 B12R0.270 CC(C)OC(=O)OCSC[C@@H](C)O 62a_100000003507_100009817552 [0,2,0,0,0,0|1,0,0]=3 11547 B12R0.270 CC(C)OC(=O)OCSC[C@@H](C)O 62a_100009817552_100000003507 [0,2,0,0,0,0|1,0,0]=3 11548 B12R0.270 CC(C)OCCNC(=O)CN(C)C 11a_100000701111_100000750896 [0,2,0,0,0,0|2,0,0]=4 11549 B12R0.270 CC(C)OCCNC(=O)CN(C)C 240690a_100000701111_100000750896 [0,2,0,0,0,0|2,0,0]=4 11550 B12R0.270 CC(C)OCCNC(=O)CN(C)C 527a_100000701111_100000750896 [0,2,0,0,0,0|2,0,0]=4 11551 B12R0.270 CC(C)OCCNC(=O)C[C@@H](C)O 240690a_100000701111_100011933948 [0,2,0,0,0,0|2,0,0]=4 11552 B12R0.270 CC(C)OCCNC(=O)C[S+](C)C 11a_100000701111_200159257847 [0,2,0,0,0,0|2,0,0]=4 11553 B12R0.270 CC(C)OCCNC(=O)C[S+](C)C 1626a_100000701111_200159257847 [0,2,0,0,0,0|2,0,0]=4 11554 B12R0.270 CC(C)OCCNC(=O)C[S+](C)C 240690a_100000701111_200159257847 [0,2,0,0,0,0|2,0,0]=4 11555 B12R0.270 CC(C)OCCNC(=O)C[S+](C)C 527a_100000701111_200159257847 [0,2,0,0,0,0|2,0,0]=4 11556 B12R0.270 CC(C)SCCNC(=O)CN(C)C 11a_100000731138_100000750896 [0,2,0,0,0,0|2,0,0]=4 11557 B12R0.270 CC(C)SCCNC(=O)CN(C)C 240690a_100000731138_100000750896 [0,2,0,0,0,0|2,0,0]=4 11558 B12R0.270 CC(C)SCCNC(=O)CN(C)C 527a_100000731138_100000750896 [0,2,0,0,0,0|2,0,0]=4 11559 B12R0.270 CC(C)SCCNC(=O)C[C@@H](C)O 240690a_100000731138_100011933948 [0,2,0,0,0,0|2,0,0]=4 11560 B12R0.270 CC(C)SCCNC(=O)C[S+](C)C 11a_100000731138_200159257847 [0,2,0,0,0,0|2,0,0]=4 11561 B12R0.270 CC(C)SCCNC(=O)C[S+](C)C 1626a_100000731138_200159257847 [0,2,0,0,0,0|2,0,0]=4 11562 B12R0.270 CC(C)SCCNC(=O)C[S+](C)C 240690a_100000731138_200159257847 [0,2,0,0,0,0|2,0,0]=4 11563 B12R0.270 CC(C)SCCNC(=O)C[S+](C)C 527a_100000731138_200159257847 [0,2,0,0,0,0|2,0,0]=4 11564 B12R0.270 CC(O)CCNCC(=O)NC(C)C 2230a_100000168517_100012276601 [0,2,0,0,0,0|2,0,0]=4 11565 B12R0.270 CC(O)CCNCC(=O)NC(C)C 2230a_200000755665_100000183996 [0,2,0,0,0,0|2,0,0]=4 11566 B12R0.270 CC(O)CCNCC(=O)OC(C)C 2230a_200000755665_100011215430 [0,2,0,0,0,0|2,0,0]=4 11567 B12R0.270 CC(O)CCSCC(=O)NC(C)C 62a_100000183996_100012276601 [0,2,0,0,0,0|1,1,0]=4 11568 B12R0.270 CC(O)CCSCC(=O)NC(C)C 62a_100012276601_100000183996 [0,2,0,0,0,0|1,1,0]=4 11569 B12R0.270 CC(O)CCSCC(=O)OC(C)C 62a_100011215430_100012276601 [0,2,0,0,0,0|1,1,0]=4 11570 B12R0.270 CC(O)CCSCC(=O)OC(C)C 62a_100012276601_100011215430 [0,2,0,0,0,0|1,1,0]=4 11571 B12R0.270 CC(O)CNCCC(=O)NC(C)C 2230a_100000210904_100000737564 [0,2,0,0,0,0|2,0,0]=4 11572 B12R0.270 CC(O)CNCCC(=O)OC(C)C 2230a_100000210904_100000760027 [0,2,0,0,0,0|2,0,0]=4 11573 B12R0.270 CC(O)CSCCC(=O)NC(C)C 62a_100000737564_100011218427 [0,2,0,0,0,0|2,0,0]=4 11574 B12R0.270 CC(O)CSCCC(=O)NC(C)C 62a_100011218427_100000737564 [0,2,0,0,0,0|2,0,0]=4 11575 B12R0.270 CC(O)CSCCC(=O)OC(C)C 62a_100000760027_100011218427 [0,2,0,0,0,0|2,0,0]=4 11576 B12R0.270 CC(O)CSCCC(=O)OC(C)C 62a_100011218427_100000760027 [0,2,0,0,0,0|2,0,0]=4 11577 B12R0.270 CC(O)CSCOC(=O)OC(C)C 62a_100000003507_100011218427 [0,2,0,0,0,0|1,0,0]=3 11578 B12R0.270 CC(O)CSCOC(=O)OC(C)C 62a_100011218427_100000003507 [0,2,0,0,0,0|1,0,0]=3 11579 B12R0.270 CN(C)CC(=O)NCCCS(=O)C 11a_200000753449_100000750896 [0,2,0,0,0,0|2,0,0]=4 11580 B12R0.270 CN(C)CC(=O)NCCCS(=O)C 240690a_200000753449_100000750896 [0,2,0,0,0,0|2,0,0]=4 11581 B12R0.270 CN(C)CC(=O)NCCCS(=O)C 527a_200000753449_100000750896 [0,2,0,0,0,0|2,0,0]=4 11582 B12R0.270 CN(C)CCCNC(=O)CN(C)C 240690a_102531767803_100000750896 [0,2,0,0,0,0|2,0,0]=4 11583 B12R0.270 CN(C)CCCNC(=O)CN(C)C 527a_102531767803_100000750896 [0,2,0,0,0,0|2,0,0]=4 11584 B12R0.270 CN(C)CCCNC(=O)C[S+](C)C 240690a_102531767803_200159257847 [0,2,0,0,0,0|2,0,0]=4 11585 B12R0.270 CN(C)CCCNC(=O)C[S+](C)C 527a_102531767803_200159257847 [0,2,0,0,0,0|2,0,0]=4 11586 B12R0.270 CS(=O)CCCNC(=O)C[S+](C)C 11a_200000753449_200159257847 [0,2,0,0,0,0|2,0,0]=4 11587 B12R0.270 CS(=O)CCCNC(=O)C[S+](C)C 240690a_200000753449_200159257847 [0,2,0,0,0,0|2,0,0]=4 11588 B12R0.270 CS(=O)CCCNC(=O)C[S+](C)C 527a_200000753449_200159257847 [0,2,0,0,0,0|2,0,0]=4 11589 B12R0.270 C[C@@H](O)CC(=O)NCCCN(C)C 240690a_102531767803_100011933948 [0,2,0,0,0,0|2,0,0]=4 11590 B12R0.270 C[C@@H](O)CC(=O)NCCCS(=O)C 240690a_200000753449_100011933948 [0,2,0,0,0,0|2,0,0]=4 11591 B12R0.272 CC(C)CC(=O)NCC(=O)CCF 1458a_100000194594_100011217306 [0,2,0,0,0,0|1,0,1]=4 11592 B12R0.272 CC(C)CC(=O)NCC(=O)CCO 1458a_100000194594_100000211926 [0,2,0,0,0,0|1,0,1]=4 11593 B12R0.272 CC(C)CC(C)OCC(C)CCN 34a_106354213184_100000731052 [0,2,0,0,0,0|1,0,1]=4 11594 B12R0.272 CC(C)NC(=O)COC(C)CCBr 34a_100012276601_100000183996 [0,2,0,0,0,0|2,0,0]=4 11595 B12R0.272 CC(C)OC(=O)COC(C)CCBr 34a_100012276601_100011215430 [0,2,0,0,0,0|2,0,0]=4 11596 B12R0.272 CC(C)OC(=O)OCC(=O)CCO 1458a_100011216618_100000003507 [0,2,0,0,0,0|1,0,1]=4 11597 B12R0.272 CC(C)OC(=O)OCN(C)CCO 269982a_100000210263_100010125566 [0,2,0,0,0,0|2,0,0]=4 11598 B12R0.272 CCCC(=NNC(=O)CC(C)C)C 4a_100000189787_100000211909 [0,2,0,0,0,0|1,0,1]=4 11599 B12R0.272 CCCC(=O)CCC(=O)NC(C)C 1458a_100000211992_100000737564 [0,2,0,0,0,0|2,0,0]=4 11600 B12R0.272 CCCC(=O)CCC(=O)OC(C)C 1458a_100000211992_100000760027 [0,2,0,0,0,0|2,0,0]=4 11601 B12R0.272 CCCC(=O)CNC(=O)CC(C)C 1458a_100000194594_100000210303 [0,2,0,0,0,0|1,0,0]=3 11602 B12R0.272 CCCC(=O)COC(=O)OC(C)C 1458a_100000211992_100000003507 [0,2,0,0,0,0|1,0,0]=3 11603 B12R0.272 CCCC(=O)COC(C)CC(C)C 7a_100000211805_100000747444 [0,2,0,0,0,0|1,0,1]=4 11604 B12R0.272 CCCC(=O)NNC(=O)CC(C)C 22a_100000189770_100000210554 [0,2,0,0,0,0|1,0,1]=4 11605 B12R0.272 CCCC(=O)NNC(=O)CC(C)C 22a_100000189787_100000211992 [0,2,0,0,0,0|1,0,1]=4 11606 B12R0.272 CCCC(=O)OCC(=O)CC(C)C 1458a_100000210554_100000034017 [0,2,0,0,0,0|0,0,1]=3 11607 B12R0.272 CCCC(=O)OCC(=O)CN(C)C 1458a_100000750896_100000034017 [0,2,0,0,0,0|1,0,1]=4 11608 B12R0.272 CCCC(=O)OCC(=O)C[C@@H](C)O 1458a_100011933948_100000034017 [0,2,0,0,0,0|1,0,1]=4 11609 B12R0.272 CCCC(=O)OCC(=O)C[S+](C)C 1458a_200159257847_100000034017 [0,2,0,0,0,0|1,0,1]=4 11610 B12R0.272 CCCC(C)COC(C)CC(C)C 34a_100000211805_100011216630 [0,2,0,0,0,0|1,0,1]=4 11611 B12R0.272 CCCC(C)COC(C)CC(C)C 34a_100000688023_100000731052 [0,2,0,0,0,0|1,0,1]=4 11612 B12R0.272 CCCC(C)COC(C)CC(C)C 7a_100000211805_100011216630 [0,2,0,0,0,0|1,0,1]=4 11613 B12R0.272 CCCC(C)COC(C)CC(C)C 7a_100000688023_100000731052 [0,2,0,0,0,0|1,0,1]=4 11614 B12R0.272 CCCC(C)NCC(=O)NC(C)C 2230a_100000168517_100000766640 [0,2,0,0,0,0|2,0,0]=4 11615 B12R0.272 CCCC(C)NCC(=O)NC(C)C 2230a_100000741246_100000183996 [0,2,0,0,0,0|2,0,0]=4 11616 B12R0.272 CCCC(C)NCC(=O)NC(C)C 270004a_100000168517_100000211909 [0,2,0,0,0,0|2,0,0]=4 11617 B12R0.272 CCCC(C)NCC(=O)OC(C)C 2230a_100000741246_100011215430 [0,2,0,0,0,0|2,0,0]=4 11618 B12R0.272 CCCC(C)OCC(=O)NC(C)C 34a_100000764384_100000183996 [0,2,0,0,0,0|1,0,0]=3 11619 B12R0.272 CCCC(C)OCC(=O)NC(C)C 7a_100000764384_100000183996 [0,2,0,0,0,0|1,0,0]=3 11620 B12R0.272 CCCC(C)OCC(=O)OC(C)C 34a_100000764384_100011215430 [0,2,0,0,0,0|1,0,0]=3 11621 B12R0.272 CCCC(C)OCC(=O)OC(C)C 7a_100000764384_100011215430 [0,2,0,0,0,0|1,0,0]=3 11622 B12R0.272 CCCC(C)OC[C@@H](N)CC(C)C 34a_100011830311_100000766640 [0,2,0,0,0,0|1,0,1]=4 11623 B12R0.272 CCCC(C)SCC(=O)NC(C)C 62a_100000183996_100000766640 [0,2,0,0,0,0|1,1,0]=4 11624 B12R0.272 CCCC(C)SCC(=O)NC(C)C 62a_100000766640_100000183996 [0,2,0,0,0,0|1,1,0]=4 11625 B12R0.272 CCCC(C)SCC(=O)OC(C)C 62a_100000766640_100011215430 [0,2,0,0,0,0|1,1,0]=4 11626 B12R0.272 CCCC(C)SCC(=O)OC(C)C 62a_100011215430_100000766640 [0,2,0,0,0,0|1,1,0]=4 11627 B12R0.272 CCCN(C)CCC(=O)NC(C)C 2230a_100000747261_100000737564 [0,2,0,0,0,0|2,0,0]=4 11628 B12R0.272 CCCN(C)CCC(=O)NC(C)C 269982a_100000747261_100000737564 [0,2,0,0,0,0|2,0,0]=4 11629 B12R0.272 CCCN(C)CCC(=O)OC(C)C 2230a_100000747261_100000760027 [0,2,0,0,0,0|2,0,0]=4 11630 B12R0.272 CCCN(C)CCC(=O)OC(C)C 269982a_100000747261_100000760027 [0,2,0,0,0,0|2,0,0]=4 11631 B12R0.272 CCCN(C)COC(=O)OC(C)C 269982a_100000747261_100010125566 [0,2,0,0,0,0|1,0,0]=3 11632 B12R0.272 CCC[C@H](N)COC(C)CC(C)C 34a_100000732646_100000731052 [0,2,0,0,0,0|1,0,1]=4 11633 B12R0.272 CCNC(=O)CCC(=O)CC(C)C 1458a_100000199579_100000210624 [0,2,0,0,0,0|1,0,1]=4 11634 B12R0.272 CCNC(=O)CNC(=O)CC(C)C 11a_100015525214_100000194594 [0,2,0,0,0,0|1,0,1]=4 11635 B12R0.272 CCNC(=O)CNC(=O)CC(C)C 11a_100016988866_100000210554 [0,2,0,0,0,0|1,0,1]=4 11636 B12R0.272 CCNC(=O)CNC(=O)CC(C)C 1626a_100016988866_100000210554 [0,2,0,0,0,0|1,0,1]=4 11637 B12R0.272 CCNC(=O)CNC(=O)CC(C)C 240690a_100015525214_100000194594 [0,2,0,0,0,0|1,0,1]=4 11638 B12R0.272 CCNC(=O)CNC(=O)CC(C)C 240690a_100016988866_100000210554 [0,2,0,0,0,0|1,0,1]=4 11639 B12R0.272 CCNC(=O)CNC(=O)CC(C)C 527a_100015525214_100000194594 [0,2,0,0,0,0|1,0,1]=4 11640 B12R0.272 CCNC(=O)CNC(=O)CC(C)C 527a_100016988866_100000210554 [0,2,0,0,0,0|1,0,1]=4 11641 B12R0.272 CCOC(=O)CCC(=O)CC(C)C 1458a_100000183558_100000210624 [0,2,0,0,0,0|1,0,1]=4 11642 B12R0.272 CCOC(=O)CNC(=O)CC(C)C 188690a_100000741813_100000210554 [0,2,0,0,0,0|1,0,1]=4 11643 B12R0.272 COCC(=O)COC(=O)OC(C)C 1458a_100000210968_100000003507 [0,2,0,0,0,0|1,0,1]=4 11644 B12R0.272 COCC(N)COC(C)CC(C)C 34a_100000724102_100000731052 [0,2,0,0,0,0|1,0,1]=4 11645 B12R0.272 COCC(O)CNC(=O)CC(C)C 240690a_100000756049_100000210554 [0,2,0,0,0,0|1,0,0]=3 11646 B12R0.272 COCC(O)CNC(=O)CC(C)C 527a_100000756049_100000210554 [0,2,0,0,0,0|1,0,0]=3 11647 B12R0.272 COCC(O)CNC(=O)CN(C)C 240690a_100000756049_100000750896 [0,2,0,0,0,0|2,0,0]=4 11648 B12R0.272 COCC(O)CNC(=O)CN(C)C 527a_100000756049_100000750896 [0,2,0,0,0,0|2,0,0]=4 11649 B12R0.272 COCC(O)CNC(=O)C[C@@H](C)O 240690a_100000756049_100011933948 [0,2,0,0,0,0|2,0,0]=4 11650 B12R0.272 COCC(O)CNC(=O)C[S+](C)C 240690a_100000756049_200159257847 [0,2,0,0,0,0|2,0,0]=4 11651 B12R0.272 COCC(O)CNC(=O)C[S+](C)C 527a_100000756049_200159257847 [0,2,0,0,0,0|2,0,0]=4 11652 B12R0.272 COCC(O)CNC(=O)NC(C)C 2708a_100138425928_100000756049 [0,2,0,0,0,0|2,0,0]=4 11653 B12R0.272 COCC(O)CNC(=O)NC(C)C 273464a_100138425928_100000756049 [0,2,0,0,0,0|2,0,0]=4 11654 B12R0.272 COCC(O)CNC(=O)NC(C)C 512a_100000756049_100138425928 [0,2,0,0,0,0|2,0,0]=4 11655 B12R0.272 COCC(O)CNC(=O)NC(C)C 512a_100138425928_100000756049 [0,2,0,0,0,0|2,0,0]=4 11656 B12R0.272 COCC(O)COC(C)CC(C)C 34a_100000211805_100011215053 [0,2,0,0,0,0|1,0,1]=4 11657 B12R0.272 COCC(O)COC(C)CC(C)C 7a_100000211805_100011215053 [0,2,0,0,0,0|1,0,1]=4 11658 B12R0.272 COC[C@@H](C)OCC(=O)NC(C)C 34a_100011934205_100000183996 [0,2,0,0,0,0|2,0,0]=4 11659 B12R0.272 COC[C@@H](C)OCC(=O)OC(C)C 34a_100011934205_100011215430 [0,2,0,0,0,0|2,0,0]=4 11660 B12R0.272 CSCC(=O)COC(=O)OC(C)C 1458a_100000184570_100000003507 [0,2,0,0,0,0|1,0,1]=4 11661 B12R0.598 CC(C)CS(=O)(=O)NCCCCO 270084a_100000750430_100000748289 [0,2,0,0,0,0|2,0,0]=4 11662 B12R0.598 CC(C)CS(=O)(=O)NCCCCO 274078a_100000750430_100000748289 [0,2,0,0,0,0|2,0,0]=4 11663 B12R0.598 CCCCCNS(=O)(=O)CC(C)C 270084a_100000209983_100000748289 [0,2,0,0,0,0|2,0,0]=4 11664 B12R0.598 CCCCCNS(=O)(=O)CC(C)C 274078a_100000209983_100000748289 [0,2,0,0,0,0|2,0,0]=4 11665 B12R0.598 CCOCCNS(=O)(=O)CC(C)C 270084a_102516460346_100000748289 [0,2,0,0,0,0|2,0,0]=4 11666 B12R0.598 CCOCCNS(=O)(=O)CC(C)C 274078a_102516460346_100000748289 [0,2,0,0,0,0|2,0,0]=4 11667 B12R0.598 CCSCCNS(=O)(=O)CC(C)C 270084a_100000106463_100000748289 [0,2,0,0,0,0|2,0,0]=4 11668 B12R0.598 CCSCCNS(=O)(=O)CC(C)C 274078a_100000106463_100000748289 [0,2,0,0,0,0|2,0,0]=4 11669 B12R0.598 COCCCNS(=O)(=O)CC(C)C 270084a_100150723488_100000748289 [0,2,0,0,0,0|2,0,0]=4 11670 B12R0.598 COCCCNS(=O)(=O)CC(C)C 274078a_100150723488_100000748289 [0,2,0,0,0,0|2,0,0]=4 11671 B12R0.598 CSCCCNS(=O)(=O)CC(C)C 270084a_100000749238_100000748289 [0,2,0,0,0,0|2,0,0]=4 11672 B12R0.598 CSCCCNS(=O)(=O)CC(C)C 274078a_100000749238_100000748289 [0,2,0,0,0,0|2,0,0]=4 11673 B12R0.66 CC(C)CC(=O)CCCC(F)(F)F 1458a_100000210554_100011216173 [0,2,0,0,0,0|2,0,0]=4 11674 B12R0.66 CC(C)CC(=O)CCCC(F)(F)F 1458a_100000764234_100000210624 [0,2,0,0,0,0|2,0,0]=4 11675 B12R0.66 CC(C)CC(=O)CCCS(=O)(=O)C 1458a_100000210554_100000754308 [0,2,0,0,0,0|2,0,0]=4 11676 B12R0.66 CC(C)CC(=O)CCC[N+](C)(C)C 1458a_100000085584_100000210624 [0,2,0,0,0,0|2,0,0]=4 11677 B12R0.66 CC(C)CC(=O)CCC[N+](C)(C)C 1458a_100000210554_100016990835 [0,2,0,0,0,0|2,0,0]=4 11678 B12R0.66 CC(C)CC(=O)CCC[Si](C)(C)C 1458a_100000210554_100011219597 [0,2,0,0,0,0|1,1,0]=4 11679 B12R0.66 CC(C)CC(=O)NCCC(C)(C)C 11a_100000738805_100000210554 [0,2,0,0,0,0|1,0,0]=3 11680 B12R0.66 CC(C)CC(=O)NCCC(C)(C)C 1626a_100000738805_100000210554 [0,2,0,0,0,0|1,0,0]=3 11681 B12R0.66 CC(C)CC(=O)NCCC(C)(C)C 240690a_100000738805_100000210554 [0,2,0,0,0,0|1,0,0]=3 11682 B12R0.66 CC(C)CC(=O)NCCC(C)(C)C 527a_100000738805_100000210554 [0,2,0,0,0,0|1,0,0]=3 11683 B12R0.66 CC(C)CC(=O)NCCC(C)(C)F 11a_100016253952_100000210554 [0,2,0,0,0,0|1,0,0]=3 11684 B12R0.66 CC(C)CC(=O)NCCC(C)(C)F 1626a_100016253952_100000210554 [0,2,0,0,0,0|1,0,0]=3 11685 B12R0.66 CC(C)CC(=O)NCCC(C)(C)F 240690a_100016253952_100000210554 [0,2,0,0,0,0|1,0,0]=3 11686 B12R0.66 CC(C)CC(=O)NCCC(C)(C)F 527a_100016253952_100000210554 [0,2,0,0,0,0|1,0,0]=3 11687 B12R0.66 CC(C)CC(=O)NCCC(C)(C)O 1626a_100000707701_100000210554 [0,2,0,0,0,0|1,0,0]=3 11688 B12R0.66 CC(C)CC(=O)NCCC(C)(C)O 527a_100000707701_100000210554 [0,2,0,0,0,0|1,0,0]=3 11689 B12R0.66 CC(C)CC(=O)NCCC(F)(F)F 11a_100000740434_100000210554 [0,2,0,0,0,0|2,0,0]=4 11690 B12R0.66 CC(C)CC(=O)NCCC(F)(F)F 1626a_100000740434_100000210554 [0,2,0,0,0,0|2,0,0]=4 11691 B12R0.66 CC(C)CC(=O)NCCC(F)(F)F 240690a_100000740434_100000210554 [0,2,0,0,0,0|2,0,0]=4 11692 B12R0.66 CC(C)CC(=O)NCCC(F)(F)F 527a_100000740434_100000210554 [0,2,0,0,0,0|2,0,0]=4 11693 B12R0.66 CC(C)CC(=O)NCCS(=O)(=O)C 11a_100000740961_100000210554 [0,2,0,0,0,0|2,0,0]=4 11694 B12R0.66 CC(C)CC(=O)NCCS(=O)(=O)C 1626a_100000740961_100000210554 [0,2,0,0,0,0|2,0,0]=4 11695 B12R0.66 CC(C)CC(=O)NCCS(=O)(=O)C 240690a_100000740961_100000210554 [0,2,0,0,0,0|2,0,0]=4 11696 B12R0.66 CC(C)CC(=O)NCCS(=O)(=O)C 527a_100000740961_100000210554 [0,2,0,0,0,0|2,0,0]=4 11697 B12R0.66 CC(C)CC(=O)NCC[N+](C)(C)C 1626a_100000106457_100000210554 [0,2,0,0,0,0|2,0,0]=4 11698 B12R0.66 CC(C)CC(=O)NCC[N+](C)(C)C 240690a_100000106457_100000210554 [0,2,0,0,0,0|2,0,0]=4 11699 B12R0.66 CC(C)CC(=O)NCC[N+](C)(C)C 527a_100000106457_100000210554 [0,2,0,0,0,0|2,0,0]=4 11700 B12R0.66 CC(C)CC(C)OCCC(C)(C)C 34a_100000211805_100000755188 [0,2,0,0,0,0|1,0,1]=4 11701 B12R0.66 CC(C)CC(C)OCCC(C)(C)C 7a_100000211805_100000755188 [0,2,0,0,0,0|1,0,1]=4 11702 B12R0.66 CC(C)CC(C)OCCC(C)(C)C 7a_100000765024_100000731052 [0,2,0,0,0,0|1,0,1]=4 11703 B12R0.66 CC(C)CC(C)OCCC(C)(C)O 34a_100000211805_100000702414 [0,2,0,0,0,0|1,0,1]=4 11704 B12R0.66 CC(C)CC(C)OCCC(C)(C)O 7a_100000211805_100000702414 [0,2,0,0,0,0|1,0,1]=4 11705 B12R0.66 CC(C)NC(=O)NCCC(C)(C)C 2708a_100000738805_100138425928 [0,2,0,0,0,0|2,0,0]=4 11706 B12R0.66 CC(C)NC(=O)NCCC(C)(C)C 2708a_100138425928_100000738805 [0,2,0,0,0,0|2,0,0]=4 11707 B12R0.66 CC(C)NC(=O)NCCC(C)(C)C 273464a_100138425928_100000738805 [0,2,0,0,0,0|2,0,0]=4 11708 B12R0.66 CC(C)NC(=O)NCCC(C)(C)C 512a_100000738805_100138425928 [0,2,0,0,0,0|2,0,0]=4 11709 B12R0.66 CC(C)NC(=O)NCCC(C)(C)C 512a_100138425928_100000738805 [0,2,0,0,0,0|2,0,0]=4 11710 B12R0.66 CC(C)NC(=O)NCCC(C)(C)F 2708a_100016253952_100138425928 [0,2,0,0,0,0|2,0,0]=4 11711 B12R0.66 CC(C)NC(=O)NCCC(C)(C)F 2708a_100138425928_100016253952 [0,2,0,0,0,0|2,0,0]=4 11712 B12R0.66 CC(C)NC(=O)NCCC(C)(C)F 273464a_100138425928_100016253952 [0,2,0,0,0,0|2,0,0]=4 11713 B12R0.66 CC(C)NC(=O)NCCC(C)(C)F 512a_100016253952_100138425928 [0,2,0,0,0,0|2,0,0]=4 11714 B12R0.66 CC(C)NC(=O)NCCC(C)(C)F 512a_100138425928_100016253952 [0,2,0,0,0,0|2,0,0]=4 11715 B12R0.66 CC(C)NC(=O)NCCC(C)(C)O 2708a_100000707701_100138425928 [0,2,0,0,0,0|2,0,0]=4 11716 B12R0.66 CC(C)NC(=O)NCCC(C)(C)O 2708a_100138425928_100000707701 [0,2,0,0,0,0|2,0,0]=4 11717 B12R0.66 CC(C)NC(=O)NCCC(C)(C)O 273464a_100138425928_100000707701 [0,2,0,0,0,0|2,0,0]=4 11718 B12R0.66 CC(C)NC(=O)NCCC(C)(C)O 512a_100000707701_100138425928 [0,2,0,0,0,0|2,0,0]=4 11719 B12R0.66 CC(C)NC(=O)NCCC(C)(C)O 512a_100138425928_100000707701 [0,2,0,0,0,0|2,0,0]=4 11720 B12R0.66 CC(C)OC(=O)OCSC(C)(C)C 62a_100000003507_100000211941 [0,2,0,0,0,0|2,0,0]=4 11721 B12R0.66 CC(C)OC(=O)OCSC(C)(C)C 62a_100000211941_100000003507 [0,2,0,0,0,0|2,0,0]=4 11722 B12R0.66 CN(C)CC(=O)NCCC(C)(C)C 11a_100000738805_100000750896 [0,2,0,0,0,0|2,0,0]=4 11723 B12R0.66 CN(C)CC(=O)NCCC(C)(C)C 240690a_100000738805_100000750896 [0,2,0,0,0,0|2,0,0]=4 11724 B12R0.66 CN(C)CC(=O)NCCC(C)(C)C 527a_100000738805_100000750896 [0,2,0,0,0,0|2,0,0]=4 11725 B12R0.66 CN(C)CC(=O)NCCC(C)(C)F 11a_100016253952_100000750896 [0,2,0,0,0,0|2,0,0]=4 11726 B12R0.66 CN(C)CC(=O)NCCC(C)(C)F 240690a_100016253952_100000750896 [0,2,0,0,0,0|2,0,0]=4 11727 B12R0.66 CN(C)CC(=O)NCCC(C)(C)F 527a_100016253952_100000750896 [0,2,0,0,0,0|2,0,0]=4 11728 B12R0.66 CN(C)CC(=O)NCCC(C)(C)O 527a_100000707701_100000750896 [0,2,0,0,0,0|2,0,0]=4 11729 B12R0.66 C[C@@H](O)CC(=O)NCCC(C)(C)C 240690a_100000738805_100011933948 [0,2,0,0,0,0|2,0,0]=4 11730 B12R0.66 C[C@@H](O)CC(=O)NCCC(C)(C)F 240690a_100016253952_100011933948 [0,2,0,0,0,0|2,0,0]=4 11731 B12R0.66 C[S+](C)CC(=O)NCCC(C)(C)C 11a_100000738805_200159257847 [0,2,0,0,0,0|2,0,0]=4 11732 B12R0.66 C[S+](C)CC(=O)NCCC(C)(C)C 1626a_100000738805_200159257847 [0,2,0,0,0,0|2,0,0]=4 11733 B12R0.66 C[S+](C)CC(=O)NCCC(C)(C)C 240690a_100000738805_200159257847 [0,2,0,0,0,0|2,0,0]=4 11734 B12R0.66 C[S+](C)CC(=O)NCCC(C)(C)C 527a_100000738805_200159257847 [0,2,0,0,0,0|2,0,0]=4 11735 B12R0.66 C[S+](C)CC(=O)NCCC(C)(C)F 11a_100016253952_200159257847 [0,2,0,0,0,0|2,0,0]=4 11736 B12R0.66 C[S+](C)CC(=O)NCCC(C)(C)F 1626a_100016253952_200159257847 [0,2,0,0,0,0|2,0,0]=4 11737 B12R0.66 C[S+](C)CC(=O)NCCC(C)(C)F 240690a_100016253952_200159257847 [0,2,0,0,0,0|2,0,0]=4 11738 B12R0.66 C[S+](C)CC(=O)NCCC(C)(C)F 527a_100016253952_200159257847 [0,2,0,0,0,0|2,0,0]=4 11739 B12R0.66 C[S+](C)CC(=O)NCCC(C)(C)O 1626a_100000707701_200159257847 [0,2,0,0,0,0|2,0,0]=4 11740 B12R0.66 C[S+](C)CC(=O)NCCC(C)(C)O 527a_100000707701_200159257847 [0,2,0,0,0,0|2,0,0]=4 11741 B12R0.140 CC(=O)CCCC(=O)CC(C)(C)C 1458a_100000211214_100011215641 [0,2,0,0,0,0|1,0,1]=4 11742 B12R0.140 CC(=O)CCCC(=O)CC(C)(C)O 1458a_100000693243_100011215641 [0,2,0,0,0,0|1,0,1]=4 11743 B12R0.140 CC(C)CCCC(=O)CC(C)(C)C 1458a_100000211214_100011214892 [0,2,0,0,0,0|1,0,0]=3 11744 B12R0.140 CC(C)CCCC(=O)CC(C)(C)O 1458a_100000693243_100011214892 [0,2,0,0,0,0|1,0,0]=3 11745 B12R0.140 CC(C)CCCC(=O)C[N+](C)(C)C 1458a_100000033712_100011214892 [0,2,0,0,0,0|2,0,0]=4 11746 B12R0.140 CC(C)CCCC(=O)C[Si](C)(C)C 1458a_100011216857_100000233785 [0,2,0,0,0,0|1,1,0]=4 11747 B12R0.140 CC(C)CCCC(=O)C[Si](C)(C)C 1458a_100011218504_100011214892 [0,2,0,0,0,0|1,1,0]=4 11748 B12R0.140 CC(C)CCCC(=O)NC(C)(C)C 11a_100000715429_100011216857 [0,2,0,0,0,0|2,0,0]=4 11749 B12R0.140 CC(C)CCCC(=O)NC(C)(C)C 1626a_100000715429_100011216857 [0,2,0,0,0,0|2,0,0]=4 11750 B12R0.140 CC(C)CCCC(=O)NC(C)(C)C 240690a_100000715429_100011216857 [0,2,0,0,0,0|2,0,0]=4 11751 B12R0.140 CC(C)CCCC(=O)NC(C)(C)C 527a_100000715429_100011216857 [0,2,0,0,0,0|2,0,0]=4 11752 B12R0.140 CC(C)CCNC(=O)CC(C)(C)C 11a_100000210545_100000211214 [0,2,0,0,0,0|1,0,0]=3 11753 B12R0.140 CC(C)CCNC(=O)CC(C)(C)C 1626a_100000210545_100000211214 [0,2,0,0,0,0|1,0,0]=3 11754 B12R0.140 CC(C)CCNC(=O)CC(C)(C)C 240690a_100000210545_100000211214 [0,2,0,0,0,0|1,0,0]=3 11755 B12R0.140 CC(C)CCNC(=O)CC(C)(C)C 527a_100000210545_100000211214 [0,2,0,0,0,0|1,0,0]=3 11756 B12R0.140 CC(C)CCNC(=O)CC(C)(C)O 527a_100000210545_100000693243 [0,2,0,0,0,0|1,0,0]=3 11757 B12R0.140 CC(C)CCNC(=O)C[N+](C)(C)C 11a_100000210545_100000033712 [0,2,0,0,0,0|2,0,0]=4 11758 B12R0.140 CC(C)CCNC(=O)C[N+](C)(C)C 1626a_100000210545_100000033712 [0,2,0,0,0,0|2,0,0]=4 11759 B12R0.140 CC(C)CCNC(=O)C[N+](C)(C)C 240690a_100000210545_100000033712 [0,2,0,0,0,0|2,0,0]=4 11760 B12R0.140 CC(C)CCNC(=O)C[N+](C)(C)C 527a_100000210545_100000033712 [0,2,0,0,0,0|2,0,0]=4 11761 B12R0.140 CC(C)CCNC(=O)C[Si](C)(C)C 11a_100000210545_100011218504 [0,2,0,0,0,0|1,1,0]=4 11762 B12R0.140 CC(C)CCNC(=O)C[Si](C)(C)C 1626a_100000210545_100011218504 [0,2,0,0,0,0|1,1,0]=4 11763 B12R0.140 CC(C)CCNC(=O)NC(C)(C)C 2708a_100000210545_100000715429 [0,2,0,0,0,0|2,0,0]=4 11764 B12R0.140 CC(C)CCNC(=O)NC(C)(C)C 273464a_100000210545_100000715429 [0,2,0,0,0,0|2,0,0]=4 11765 B12R0.140 CC(C)CCNC(=O)NC(C)(C)C 273464a_100000715429_100000210545 [0,2,0,0,0,0|2,0,0]=4 11766 B12R0.140 CC(C)CCNC(=O)NC(C)(C)C 512a_100000715429_100000210545 [0,2,0,0,0,0|2,0,0]=4 11767 B12R0.140 CC(C)CCOC(C)CC(C)(C)C 7a_200011218616_100000210626 [0,2,0,0,0,0|1,0,1]=4 11768 B12R0.140 CC(C)CNNC(=O)CC(C)(C)C 22a_100000696102_100000211214 [0,2,0,0,0,0|2,0,0]=4 11769 B12R0.140 CC(C)CNNC(=O)CC(C)(C)O 22a_100000696102_100000693243 [0,2,0,0,0,0|2,0,0]=4 11770 B12R0.140 CC(C)NCOC(=O)CC(C)(C)C 2230a_100138425928_200010999194 [0,2,0,0,0,0|1,0,0]=3 11771 B12R0.140 CC(C)NCOC(=O)CC(C)(C)C 34a_100138425928_200010999194 [0,2,0,0,0,0|1,0,0]=3 11772 B12R0.140 CC(C)OCCC(=O)CC(C)(C)C 1458a_100000211214_100000211751 [0,2,0,0,0,0|2,0,0]=4 11773 B12R0.140 CC(C)OCCC(=O)CC(C)(C)O 1458a_100000693243_100000211751 [0,2,0,0,0,0|2,0,0]=4 11774 B12R0.140 CC(C)OCOC(=O)CC(C)(C)C 34a_100000212225_200010999194 [0,2,0,0,0,0|1,0,0]=3 11775 B12R0.140 CC(C)SCCC(=O)CC(C)(C)C 1458a_100000211214_100000730970 [0,2,0,0,0,0|2,0,0]=4 11776 B12R0.140 CC(C)SCCC(=O)CC(C)(C)O 1458a_100000693243_100000730970 [0,2,0,0,0,0|2,0,0]=4 11777 B12R0.140 CC(C)SCOC(=O)CC(C)(C)C 62a_100000210206_200010999194 [0,2,0,0,0,0|1,0,0]=3 11778 B12R0.140 CC(C)SCOC(=O)CC(C)(C)C 62a_200010999194_100000210206 [0,2,0,0,0,0|1,0,0]=3 11779 B12R0.140 CC(O)CCCC(=O)CC(C)(C)C 1458a_100000211214_200000718107 [0,2,0,0,0,0|1,0,0]=3 11780 B12R0.140 CC(O)CCCC(=O)CC(C)(C)O 1458a_100000693243_200000718107 [0,2,0,0,0,0|1,0,0]=3 11781 B12R0.140 CC(O)CCCC(=O)C[N+](C)(C)C 1458a_100000033712_200000718107 [0,2,0,0,0,0|2,0,0]=4 11782 B12R0.140 CC(O)CCCC(=O)C[Si](C)(C)C 1458a_100011218504_200000718107 [0,2,0,0,0,0|1,1,0]=4 11783 B12R0.140 CC(O)CCCC(=O)NC(C)(C)C 1626a_100000715429_100000761597 [0,2,0,0,0,0|2,0,0]=4 11784 B12R0.140 CC(O)CCCC(=O)NC(C)(C)C 527a_100000715429_100000761597 [0,2,0,0,0,0|2,0,0]=4 11785 B12R0.140 CC(O)CCNC(=O)CC(C)(C)C 240690a_200000755665_100000211214 [0,2,0,0,0,0|1,0,0]=3 11786 B12R0.140 CC(O)CCNC(=O)CC(C)(C)C 527a_200000755665_100000211214 [0,2,0,0,0,0|1,0,0]=3 11787 B12R0.140 CC(O)CCNC(=O)CC(C)(C)O 527a_200000755665_100000693243 [0,2,0,0,0,0|1,0,0]=3 11788 B12R0.140 CC(O)CCNC(=O)C[N+](C)(C)C 240690a_200000755665_100000033712 [0,2,0,0,0,0|2,0,0]=4 11789 B12R0.140 CC(O)CCNC(=O)C[N+](C)(C)C 527a_200000755665_100000033712 [0,2,0,0,0,0|2,0,0]=4 11790 B12R0.140 CC(O)CCNC(=O)NC(C)(C)C 273464a_200000755665_100000715429 [0,2,0,0,0,0|2,0,0]=4 11791 B12R0.140 CC(O)CCNC(=O)NC(C)(C)C 512a_100000715429_200000755665 [0,2,0,0,0,0|2,0,0]=4 11792 B12R0.140 CC(O)CCOC(C)CC(C)(C)C 7a_200011218616_100012276601 [0,2,0,0,0,0|1,0,1]=4 11793 B12R0.140 CC(O)CNNC(=O)CC(C)(C)C 22a_200000730056_100000211214 [0,2,0,0,0,0|2,0,0]=4 11794 B12R0.140 CC(O)CNNC(=O)CC(C)(C)O 22a_200000730056_100000693243 [0,2,0,0,0,0|2,0,0]=4 11795 B12R0.140 CN(C)CCCC(=O)CC(C)(C)C 1458a_100000211214_100000695564 [0,2,0,0,0,0|2,0,0]=4 11796 B12R0.140 CN(C)CCCC(=O)CC(C)(C)O 1458a_100000693243_100000695564 [0,2,0,0,0,0|2,0,0]=4 11797 B12R0.140 CN(C)CCNC(=O)CC(C)(C)C 240690a_100000210585_100000211214 [0,2,0,0,0,0|2,0,0]=4 11798 B12R0.140 CN(C)CCNC(=O)CC(C)(C)C 527a_100000210585_100000211214 [0,2,0,0,0,0|2,0,0]=4 11799 B12R0.140 CN(C)CCNC(=O)CC(C)(C)O 527a_100000210585_100000693243 [0,2,0,0,0,0|2,0,0]=4 11800 B12R0.240 C=CC(C)CC(=O)CCCC(C)C 1458a_100011934298_100011214892 [0,2,0,0,0,0|1,0,1]=4 11801 B12R0.240 C=CC(C)CC(=O)CCCC(C)O 1458a_100011934298_200000718107 [0,2,0,0,0,0|1,0,1]=4 11802 B12R0.240 C=CC(C)CC(=O)NCCC(C)C 11a_100000210545_100011934298 [0,2,0,0,0,0|1,0,1]=4 11803 B12R0.240 C=CC(C)CC(=O)NCCC(C)C 1626a_100000210545_100011934298 [0,2,0,0,0,0|1,0,1]=4 11804 B12R0.240 C=CC(C)CC(=O)NCCC(C)C 240690a_100000210545_100011934298 [0,2,0,0,0,0|1,0,1]=4 11805 B12R0.240 C=CC(C)CC(=O)NCCC(C)C 527a_100000210545_100011934298 [0,2,0,0,0,0|1,0,1]=4 11806 B12R0.240 C=CC(C)CC(=O)NCCC(C)O 240690a_200000755665_100011934298 [0,2,0,0,0,0|1,0,1]=4 11807 B12R0.240 C=CC(C)CC(=O)NCCC(C)O 527a_200000755665_100011934298 [0,2,0,0,0,0|1,0,1]=4 11808 B12R0.240 CC(C)CCCC(=O)C[C@@H](C)CO 1458a_100011216857_100000059175 [0,2,0,0,0,0|1,0,0]=3 11809 B12R0.240 CC(C)CCCC(=O)N[C@H](C)CF 11a_100102880703_100011216857 [0,2,0,0,0,0|2,0,0]=4 11810 B12R0.240 CC(C)CCCC(=O)N[C@H](C)CF 1626a_100102880703_100011216857 [0,2,0,0,0,0|2,0,0]=4 11811 B12R0.240 CC(C)CCCC(=O)N[C@H](C)CF 240690a_100102880703_100011216857 [0,2,0,0,0,0|2,0,0]=4 11812 B12R0.240 CC(C)CCCC(=O)N[C@H](C)CF 527a_100102880703_100011216857 [0,2,0,0,0,0|2,0,0]=4 11813 B12R0.240 CC(C)CCCC(=O)N[C@H](C)CO 240690a_100000737577_100011216857 [0,2,0,0,0,0|2,0,0]=4 11814 B12R0.240 CC(C)CCCC(=O)N[C@H](C)CO 527a_100000737577_100011216857 [0,2,0,0,0,0|2,0,0]=4 11815 B12R0.240 CC(C)CCNC(=O)N[C@H](C)CF 2708a_100000210545_100102880703 [0,2,0,0,0,0|2,0,0]=4 11816 B12R0.240 CC(C)CCNC(=O)N[C@H](C)CF 273464a_100000210545_100102880703 [0,2,0,0,0,0|2,0,0]=4 11817 B12R0.240 CC(C)CCNC(=O)N[C@H](C)CF 273464a_100102880703_100000210545 [0,2,0,0,0,0|2,0,0]=4 11818 B12R0.240 CC(C)CCNC(=O)N[C@H](C)CF 512a_100000210545_100102880703 [0,2,0,0,0,0|2,0,0]=4 11819 B12R0.240 CC(C)CCNC(=O)N[C@H](C)CF 512a_100102880703_100000210545 [0,2,0,0,0,0|2,0,0]=4 11820 B12R0.240 CC(C)CCNC(=O)N[C@H](C)CO 2708a_100000210545_100000737577 [0,2,0,0,0,0|2,0,0]=4 11821 B12R0.240 CC(C)CCNC(=O)N[C@H](C)CO 273464a_100000737577_100000210545 [0,2,0,0,0,0|2,0,0]=4 11822 B12R0.240 CC(C)CCNC(=O)N[C@H](C)CO 512a_100000210545_100000737577 [0,2,0,0,0,0|2,0,0]=4 11823 B12R0.240 CC(C)CCNC(=O)N[C@H](C)CO 512a_100000737577_100000210545 [0,2,0,0,0,0|2,0,0]=4 11824 B12R0.240 CC(C)COCC(=O)C[C@@H](C)CO 1458a_100011223364_100000059175 [0,2,0,0,0,0|2,0,0]=4 11825 B12R0.240 CC(O)CCCC(=O)N[C@H](C)CF 1626a_100102880703_100000761597 [0,2,0,0,0,0|2,0,0]=4 11826 B12R0.240 CC(O)CCCC(=O)N[C@H](C)CF 527a_100102880703_100000761597 [0,2,0,0,0,0|2,0,0]=4 11827 B12R0.240 CC(O)CCCC(=O)N[C@H](C)CO 527a_100000737577_100000761597 [0,2,0,0,0,0|2,0,0]=4 11828 B12R0.240 CC(O)CCNC(=O)N[C@H](C)CF 273464a_200000755665_100102880703 [0,2,0,0,0,0|2,0,0]=4 11829 B12R0.240 CC(O)CCNC(=O)N[C@H](C)CF 512a_100102880703_200000755665 [0,2,0,0,0,0|2,0,0]=4 11830 B12R0.240 CC(O)CCNC(=O)N[C@H](C)CF 512a_200000755665_100102880703 [0,2,0,0,0,0|2,0,0]=4 11831 B12R0.240 CC(O)CCNC(=O)N[C@H](C)CO 512a_100000737577_200000755665 [0,2,0,0,0,0|2,0,0]=4 11832 B12R0.240 CC(O)CCNC(=O)N[C@H](C)CO 512a_200000755665_100000737577 [0,2,0,0,0,0|2,0,0]=4 11833 B12R0.240 CCC(C)CC(=O)CCCC(=O)C 1458a_100000708755_100011215641 [0,2,0,0,0,0|1,0,1]=4 11834 B12R0.240 CCC(C)CC(=O)CCCC(C)C 1458a_100000708755_100011214892 [0,2,0,0,0,0|1,0,0]=3 11835 B12R0.240 CCC(C)CC(=O)CCCC(C)C 1458a_100011216857_100000748023 [0,2,0,0,0,0|1,0,0]=3 11836 B12R0.240 CCC(C)CC(=O)CCCC(C)O 1458a_100000708755_200000718107 [0,2,0,0,0,0|1,0,0]=3 11837 B12R0.240 CCC(C)CC(=O)CCCN(C)C 1458a_100000708755_100000695564 [0,2,0,0,0,0|2,0,0]=4 11838 B12R0.240 CCC(C)CC(=O)CCOC(C)C 1458a_100000708755_100000211751 [0,2,0,0,0,0|2,0,0]=4 11839 B12R0.240 CCC(C)CC(=O)CCSC(C)C 1458a_100000708755_100000730970 [0,2,0,0,0,0|2,0,0]=4 11840 B12R0.240 CCC(C)CC(=O)COCC(C)C 1458a_100011223364_100000748023 [0,2,0,0,0,0|2,0,0]=4 11841 B12R0.240 CCC(C)CC(=O)NCCC(C)C 11a_100000210545_100000708755 [0,2,0,0,0,0|1,0,0]=3 11842 B12R0.240 CCC(C)CC(=O)NCCC(C)C 1626a_100000210545_100000708755 [0,2,0,0,0,0|1,0,0]=3 11843 B12R0.240 CCC(C)CC(=O)NCCC(C)C 240690a_100000210545_100000708755 [0,2,0,0,0,0|1,0,0]=3 11844 B12R0.240 CCC(C)CC(=O)NCCC(C)C 527a_100000210545_100000708755 [0,2,0,0,0,0|1,0,0]=3 11845 B12R0.240 CCC(C)CC(=O)NCCC(C)O 240690a_200000755665_100000708755 [0,2,0,0,0,0|1,0,0]=3 11846 B12R0.240 CCC(C)CC(=O)NCCC(C)O 527a_200000755665_100000708755 [0,2,0,0,0,0|1,0,0]=3 11847 B12R0.240 CCC(C)CC(=O)NCCN(C)C 240690a_100000210585_100000708755 [0,2,0,0,0,0|2,0,0]=4 11848 B12R0.240 CCC(C)CC(=O)NCCN(C)C 527a_100000210585_100000708755 [0,2,0,0,0,0|2,0,0]=4 11849 B12R0.240 CCC(C)CC(=O)NNCC(C)C 22a_100000696102_100000708755 [0,2,0,0,0,0|2,0,0]=4 11850 B12R0.240 CCC(C)CC(=O)NNCC(C)O 22a_200000730056_100000708755 [0,2,0,0,0,0|2,0,0]=4 11851 B12R0.240 CCC(C)NC(=O)CCCC(C)C 11a_100000209981_100011216857 [0,2,0,0,0,0|2,0,0]=4 11852 B12R0.240 CCC(C)NC(=O)CCCC(C)C 1626a_100000209981_100011216857 [0,2,0,0,0,0|2,0,0]=4 11853 B12R0.240 CCC(C)NC(=O)CCCC(C)C 240690a_100000209981_100011216857 [0,2,0,0,0,0|2,0,0]=4 11854 B12R0.240 CCC(C)NC(=O)CCCC(C)C 527a_100000209981_100011216857 [0,2,0,0,0,0|2,0,0]=4 11855 B12R0.240 CCC(C)NC(=O)CCCC(C)O 1626a_100000209981_100000761597 [0,2,0,0,0,0|2,0,0]=4 11856 B12R0.240 CCC(C)NC(=O)CCCC(C)O 527a_100000209981_100000761597 [0,2,0,0,0,0|2,0,0]=4 11857 B12R0.240 CCC(C)NC(=O)NCCC(C)C 2708a_100000209981_100000210545 [0,2,0,0,0,0|2,0,0]=4 11858 B12R0.240 CCC(C)NC(=O)NCCC(C)C 2708a_100000210545_100000209981 [0,2,0,0,0,0|2,0,0]=4 11859 B12R0.240 CCC(C)NC(=O)NCCC(C)C 273464a_100000209981_100000210545 [0,2,0,0,0,0|2,0,0]=4 11860 B12R0.240 CCC(C)NC(=O)NCCC(C)C 273464a_100000210545_100000209981 [0,2,0,0,0,0|2,0,0]=4 11861 B12R0.240 CCC(C)NC(=O)NCCC(C)C 512a_100000209981_100000210545 [0,2,0,0,0,0|2,0,0]=4 11862 B12R0.240 CCC(C)NC(=O)NCCC(C)C 512a_100000210545_100000209981 [0,2,0,0,0,0|2,0,0]=4 11863 B12R0.240 CCC(C)NC(=O)NCCC(C)O 2708a_100000209981_200000755665 [0,2,0,0,0,0|2,0,0]=4 11864 B12R0.240 CCC(C)NC(=O)NCCC(C)O 273464a_200000755665_100000209981 [0,2,0,0,0,0|2,0,0]=4 11865 B12R0.240 CCC(C)NC(=O)NCCC(C)O 512a_100000209981_200000755665 [0,2,0,0,0,0|2,0,0]=4 11866 B12R0.240 CCC(C)NC(=O)NCCC(C)O 512a_200000755665_100000209981 [0,2,0,0,0,0|2,0,0]=4 11867 B12R0.240 CCC(O)CC(=O)CCCC(C)C 1458a_100011216857_100011218378 [0,2,0,0,0,0|2,0,0]=4 11868 B12R0.240 CCC(O)CC(=O)CCCC(C)C 1458a_100011667805_100011214892 [0,2,0,0,0,0|2,0,0]=4 11869 B12R0.240 CCC(O)CC(=O)CCCC(C)O 1458a_100011667805_200000718107 [0,2,0,0,0,0|2,0,0]=4 11870 B12R0.240 CCC(O)CC(=O)NCCC(C)C 1626a_100000210545_100011667805 [0,2,0,0,0,0|2,0,0]=4 11871 B12R0.240 CCC(O)CC(=O)NCCC(C)C 240690a_100000210545_100011667805 [0,2,0,0,0,0|2,0,0]=4 11872 B12R0.240 CCC(O)CC(=O)NCCC(C)O 240690a_200000755665_100011667805 [0,2,0,0,0,0|2,0,0]=4 11873 B12R0.240 CCN(C)CC(=O)CCCC(C)C 1458a_100116209913_100011214892 [0,2,0,0,0,0|2,0,0]=4 11874 B12R0.240 CCN(C)CC(=O)CCCC(C)O 1458a_100116209913_200000718107 [0,2,0,0,0,0|2,0,0]=4 11875 B12R0.240 CCN(C)CC(=O)NCCC(C)C 240690a_100000210545_100116209913 [0,2,0,0,0,0|2,0,0]=4 11876 B12R0.240 CCN(C)CC(=O)NCCC(C)C 527a_100000210545_100116209913 [0,2,0,0,0,0|2,0,0]=4 11877 B12R0.240 CCN(C)CC(=O)NCCC(C)O 240690a_200000755665_100116209913 [0,2,0,0,0,0|2,0,0]=4 11878 B12R0.240 CCN(C)CC(=O)NCCC(C)O 527a_200000755665_100116209913 [0,2,0,0,0,0|2,0,0]=4 11879 B12R0.240 CC[C@H](C)CC(=O)CCCC(C)C 1458a_100011216857_100009816398 [0,2,0,0,0,0|1,0,0]=3 11880 B12R0.240 CC[C@H](C)CC(=O)COCC(C)C 1458a_100011223364_100009816398 [0,2,0,0,0,0|2,0,0]=4 11881 B12R0.258 CC(C)CC(=O)N(C)CCN(C)C 240690a_100000225618_100000210554 [0,2,0,0,0,0|2,0,0]=4 11882 B12R0.258 CC(C)CC(=O)N(C)CCN(C)C 527a_100000225618_100000210554 [0,2,0,0,0,0|2,0,0]=4 11883 B12R0.258 CC(C)CCC(=O)C(=O)NC(C)C 1458a_100011220036_100000210312 [0,2,0,0,0,0|2,0,0]=4 11884 B12R0.258 CC(C)CCC(C)C(=O)CC(C)C 1458a_100000210554_100011261404 [0,2,0,0,0,0|1,0,0]=3 11885 B12R0.258 CC(C)CCC(C)C(=O)CN(C)C 1458a_100000750896_100011261404 [0,2,0,0,0,0|2,0,0]=4 11886 B12R0.258 CC(C)CCC(C)C(=O)C[C@@H](C)O 1458a_100011933948_100011261404 [0,2,0,0,0,0|2,0,0]=4 11887 B12R0.258 CC(C)CCC(C)C(=O)C[S+](C)C 1458a_200159257847_100011261404 [0,2,0,0,0,0|2,0,0]=4 11888 B12R0.258 CC(C)CCN(C)C(=O)CC(C)C 11a_100000742789_100000210554 [0,2,0,0,0,0|1,0,0]=3 11889 B12R0.258 CC(C)CCN(C)C(=O)CC(C)C 1626a_100000742789_100000210554 [0,2,0,0,0,0|1,0,0]=3 11890 B12R0.258 CC(C)CCN(C)C(=O)CC(C)C 240690a_100000742789_100000210554 [0,2,0,0,0,0|1,0,0]=3 11891 B12R0.258 CC(C)CCN(C)C(=O)CC(C)C 527a_100000742789_100000210554 [0,2,0,0,0,0|1,0,0]=3 11892 B12R0.258 CC(C)CCN(C)C(=O)CN(C)C 11a_100000742789_100000750896 [0,2,0,0,0,0|2,0,0]=4 11893 B12R0.258 CC(C)CCN(C)C(=O)CN(C)C 240690a_100000742789_100000750896 [0,2,0,0,0,0|2,0,0]=4 11894 B12R0.258 CC(C)CCN(C)C(=O)CN(C)C 527a_100000742789_100000750896 [0,2,0,0,0,0|2,0,0]=4 11895 B12R0.258 CC(C)CCN(C)C(=O)C[C@@H](C)O 240690a_100000742789_100011933948 [0,2,0,0,0,0|2,0,0]=4 11896 B12R0.258 CC(C)CCN(C)C(=O)C[S+](C)C 11a_100000742789_200159257847 [0,2,0,0,0,0|2,0,0]=4 11897 B12R0.258 CC(C)CCN(C)C(=O)C[S+](C)C 1626a_100000742789_200159257847 [0,2,0,0,0,0|2,0,0]=4 11898 B12R0.258 CC(C)CCN(C)C(=O)C[S+](C)C 240690a_100000742789_200159257847 [0,2,0,0,0,0|2,0,0]=4 11899 B12R0.258 CC(C)CCN(C)C(=O)C[S+](C)C 527a_100000742789_200159257847 [0,2,0,0,0,0|2,0,0]=4 11900 B12R0.258 CC(C)CCN(C)C(=O)NC(C)C 2708a_100138425928_100000742789 [0,2,0,0,0,0|2,0,0]=4 11901 B12R0.258 CC(C)CCN(C)C(=O)NC(C)C 273464a_100138425928_100000742789 [0,2,0,0,0,0|2,0,0]=4 11902 B12R0.258 CC(C)CNC(=O)C(=O)CC(C)C 1458a_200011297155_100000210624 [0,2,0,0,0,0|2,0,0]=4 11903 B12R0.258 CC(O)CCC(=O)C(=O)NC(C)C 1458a_100011220036_100012276601 [0,2,0,0,0,0|2,0,0]=4 11904 B12R0.535 C#CC(CC(C)C)OCCC(C)C 34a_100011215986_100000210312 [0,2,0,0,0,0|1,0,1]=4 11905 B12R0.535 C#CC(CC(C)C)OCCC(C)C 7a_100011215986_100000210626 [0,2,0,0,0,0|1,0,1]=4 11906 B12R0.535 C#CC(CC(C)C)OCCC(C)O 34a_100011215986_100012276601 [0,2,0,0,0,0|1,0,1]=4 11907 B12R0.535 C#CC(CC(C)C)OCCC(C)O 7a_100011215986_100012276601 [0,2,0,0,0,0|1,0,1]=4 11908 B12R0.535 C=CC(CC(C)C)OCCC(C)C 34a_100012186643_100000210312 [0,2,0,0,0,0|1,0,1]=4 11909 B12R0.535 C=CC(CC(C)C)OCCC(C)C 7a_100012186643_100000210626 [0,2,0,0,0,0|1,0,1]=4 11910 B12R0.535 C=CC(CC(C)C)OCCC(C)O 34a_100012186643_100012276601 [0,2,0,0,0,0|1,0,1]=4 11911 B12R0.535 C=CC(CC(C)C)OCCC(C)O 7a_100012186643_100012276601 [0,2,0,0,0,0|1,0,1]=4 11912 B12R0.535 CC(C)CC(C#N)OCCC(C)O 34a_200011294978_100012276601 [0,2,0,0,0,0|1,0,1]=4 11913 B12R0.535 CC(C)CC(C#N)OCCC(C)O 7a_200011294978_100012276601 [0,2,0,0,0,0|1,0,1]=4 11914 B12R0.535 CC(C)CCOC(C#N)CC(C)C 34a_200011294978_100000210312 [0,2,0,0,0,0|1,0,1]=4 11915 B12R0.535 CC(C)CCOC(C#N)CC(C)C 7a_200011294978_100000210626 [0,2,0,0,0,0|1,0,1]=4 11916 B12R0.686 CC(=O)CCCC(=O)C(C)C(C)C 1458a_100000755409_100011215641 [0,2,0,0,0,0|1,0,1]=4 11917 B12R0.686 CC(=O)CCCC(=O)[C@H](O)C(C)C 1458a_100000691806_100011215641 [0,2,0,0,0,0|1,0,1]=4 11918 B12R0.686 CC(C)C(C)C(=O)CCCN(C)C 1458a_100000755409_100000695564 [0,2,0,0,0,0|2,0,0]=4 11919 B12R0.686 CC(C)C(C)C(=O)NCCN(C)C 240690a_100000210585_100000755409 [0,2,0,0,0,0|2,0,0]=4 11920 B12R0.686 CC(C)C(C)C(=O)NCCN(C)C 527a_100000210585_100000755409 [0,2,0,0,0,0|2,0,0]=4 11921 B12R0.686 CC(C)CCCC(=O)C(C)C(C)C 1458a_100000755409_100011214892 [0,2,0,0,0,0|1,0,0]=3 11922 B12R0.686 CC(C)CCCC(=O)N(C)C(C)C 11a_200000211004_100011216857 [0,2,0,0,0,0|2,0,0]=4 11923 B12R0.686 CC(C)CCCC(=O)N(C)C(C)C 1626a_200000211004_100011216857 [0,2,0,0,0,0|2,0,0]=4 11924 B12R0.686 CC(C)CCCC(=O)N(C)C(C)C 240690a_200000211004_100011216857 [0,2,0,0,0,0|2,0,0]=4 11925 B12R0.686 CC(C)CCCC(=O)N(C)C(C)C 527a_200000211004_100011216857 [0,2,0,0,0,0|2,0,0]=4 11926 B12R0.686 CC(C)CCCC(=O)[C@H](C)N(C)C 1458a_100009822176_100011214892 [0,2,0,0,0,0|2,0,0]=4 11927 B12R0.686 CC(C)CCCC(=O)[C@H](O)C(C)C 1458a_100000691806_100011214892 [0,2,0,0,0,0|1,0,0]=3 11928 B12R0.686 CC(C)CCNC(=O)C(C)C(C)C 11a_100000210545_100000755409 [0,2,0,0,0,0|1,0,0]=3 11929 B12R0.686 CC(C)CCNC(=O)C(C)C(C)C 1626a_100000210545_100000755409 [0,2,0,0,0,0|1,0,0]=3 11930 B12R0.686 CC(C)CCNC(=O)C(C)C(C)C 240690a_100000210545_100000755409 [0,2,0,0,0,0|1,0,0]=3 11931 B12R0.686 CC(C)CCNC(=O)C(C)C(C)C 527a_100000210545_100000755409 [0,2,0,0,0,0|1,0,0]=3 11932 B12R0.686 CC(C)CCNC(=O)C(C)N(C)C 2230a_100102631434_100000735922 [0,2,0,0,0,0|2,0,0]=4 11933 B12R0.686 CC(C)CCNC(=O)C(C)N(C)C 269982a_100102631434_100000735922 [0,2,0,0,0,0|2,0,0]=4 11934 B12R0.686 CC(C)CCNC(=O)N(C)C(C)C 2708a_100000210545_200000211004 [0,2,0,0,0,0|2,0,0]=4 11935 B12R0.686 CC(C)CCNC(=O)N(C)C(C)C 273464a_100000210545_200000211004 [0,2,0,0,0,0|2,0,0]=4 11936 B12R0.686 CC(C)CCNC(=O)[C@H](C)N(C)C 240690a_100000210545_100009822176 [0,2,0,0,0,0|2,0,0]=4 11937 B12R0.686 CC(C)CCNC(=O)[C@H](C)N(C)C 527a_100000210545_100009822176 [0,2,0,0,0,0|2,0,0]=4 11938 B12R0.686 CC(C)CCNC(=O)[C@H](O)C(C)C 240690a_100000210545_100000691806 [0,2,0,0,0,0|1,0,0]=3 11939 B12R0.686 CC(C)CNNC(=O)C(C)C(C)C 22a_100000696102_100000755409 [0,2,0,0,0,0|2,0,0]=4 11940 B12R0.686 CC(C)CNNC(=O)[C@H](O)C(C)C 22a_100000696102_100000691806 [0,2,0,0,0,0|2,0,0]=4 11941 B12R0.686 CC(C)OCCC(=O)C(C)C(C)C 1458a_100000755409_100000211751 [0,2,0,0,0,0|2,0,0]=4 11942 B12R0.686 CC(C)OCCC(=O)[C@H](O)C(C)C 1458a_100000691806_100000211751 [0,2,0,0,0,0|2,0,0]=4 11943 B12R0.686 CC(C)SCCC(=O)C(C)C(C)C 1458a_100000755409_100000730970 [0,2,0,0,0,0|2,0,0]=4 11944 B12R0.686 CC(C)SCCC(=O)[C@H](O)C(C)C 1458a_100000691806_100000730970 [0,2,0,0,0,0|2,0,0]=4 11945 B12R0.686 CC(C)[C@@H](O)C(=O)CCCN(C)C 1458a_100000691806_100000695564 [0,2,0,0,0,0|2,0,0]=4 11946 B12R0.686 CC(C)[C@@H](O)C(=O)NCCN(C)C 240690a_100000210585_100000691806 [0,2,0,0,0,0|2,0,0]=4 11947 B12R0.686 CC(O)CCCC(=O)C(C)C(C)C 1458a_100000755409_200000718107 [0,2,0,0,0,0|1,0,0]=3 11948 B12R0.686 CC(O)CCCC(=O)N(C)C(C)C 1626a_200000211004_100000761597 [0,2,0,0,0,0|2,0,0]=4 11949 B12R0.686 CC(O)CCCC(=O)N(C)C(C)C 527a_200000211004_100000761597 [0,2,0,0,0,0|2,0,0]=4 11950 B12R0.686 CC(O)CCCC(=O)[C@H](C)N(C)C 1458a_100009822176_200000718107 [0,2,0,0,0,0|2,0,0]=4 11951 B12R0.686 CC(O)CCCC(=O)[C@H](O)C(C)C 1458a_100000691806_200000718107 [0,2,0,0,0,0|1,0,0]=3 11952 B12R0.686 CC(O)CCNC(=O)C(C)C(C)C 240690a_200000755665_100000755409 [0,2,0,0,0,0|1,0,0]=3 11953 B12R0.686 CC(O)CCNC(=O)C(C)C(C)C 527a_200000755665_100000755409 [0,2,0,0,0,0|1,0,0]=3 11954 B12R0.686 CC(O)CCNC(=O)N(C)C(C)C 273464a_200000755665_200000211004 [0,2,0,0,0,0|2,0,0]=4 11955 B12R0.686 CC(O)CCNC(=O)[C@H](C)N(C)C 240690a_200000755665_100009822176 [0,2,0,0,0,0|2,0,0]=4 11956 B12R0.686 CC(O)CCNC(=O)[C@H](C)N(C)C 527a_200000755665_100009822176 [0,2,0,0,0,0|2,0,0]=4 11957 B12R0.686 CC(O)CCNC(=O)[C@H](O)C(C)C 240690a_200000755665_100000691806 [0,2,0,0,0,0|1,0,0]=3 11958 B12R0.686 CC(O)CNNC(=O)C(C)C(C)C 22a_200000730056_100000755409 [0,2,0,0,0,0|2,0,0]=4 11959 B12R0.686 CC(O)CNNC(=O)[C@H](O)C(C)C 22a_200000730056_100000691806 [0,2,0,0,0,0|2,0,0]=4 11960 B12R0.687 CC(C)C(O)CNC(=O)CN(C)C 11a_100000759067_100000750896 [0,2,0,0,0,0|2,0,0]=4 11961 B12R0.687 CC(C)C(O)CNC(=O)CN(C)C 240690a_100000759067_100000750896 [0,2,0,0,0,0|2,0,0]=4 11962 B12R0.687 CC(C)C(O)CNC(=O)CN(C)C 527a_100000759067_100000750896 [0,2,0,0,0,0|2,0,0]=4 11963 B12R0.687 CC(C)C(O)CNC(=O)C[C@@H](C)O 240690a_100000759067_100011933948 [0,2,0,0,0,0|2,0,0]=4 11964 B12R0.687 CC(C)C(O)CNC(=O)C[S+](C)C 11a_100000759067_200159257847 [0,2,0,0,0,0|2,0,0]=4 11965 B12R0.687 CC(C)C(O)CNC(=O)C[S+](C)C 240690a_100000759067_200159257847 [0,2,0,0,0,0|2,0,0]=4 11966 B12R0.687 CC(C)C(O)CNC(=O)C[S+](C)C 527a_100000759067_200159257847 [0,2,0,0,0,0|2,0,0]=4 11967 B12R0.687 CC(C)CC(=O)CCN(C)C(C)C 1458a_100015184040_100000210624 [0,2,0,0,0,0|2,0,0]=4 11968 B12R0.687 CC(C)CC(=O)NCC(=O)C(C)C 1458a_100000194594_100000210206 [0,2,0,0,0,0|1,0,1]=4 11969 B12R0.687 CC(C)CC(=O)NCC(O)C(C)C 11a_100000759067_100000210554 [0,2,0,0,0,0|1,0,0]=3 11970 B12R0.687 CC(C)CC(=O)NCC(O)C(C)C 240690a_100000759067_100000210554 [0,2,0,0,0,0|1,0,0]=3 11971 B12R0.687 CC(C)CC(=O)NCC(O)C(C)C 527a_100000759067_100000210554 [0,2,0,0,0,0|1,0,0]=3 11972 B12R0.687 CC(C)CC(C)OC[C@H](N)C(C)C 34a_100011830312_100000731052 [0,2,0,0,0,0|1,0,1]=4 11973 B12R0.687 CC(C)NC(=O)NCC(O)C(C)C 2708a_100138425928_100000759067 [0,2,0,0,0,0|2,0,0]=4 11974 B12R0.687 CC(C)NC(=O)NCC(O)C(C)C 273464a_100138425928_100000759067 [0,2,0,0,0,0|2,0,0]=4 11975 B12R0.687 CC(C)NC(=O)NCC(O)C(C)C 512a_100000759067_100138425928 [0,2,0,0,0,0|2,0,0]=4 11976 B12R0.687 CC(C)NC(=O)NCC(O)C(C)C 512a_100138425928_100000759067 [0,2,0,0,0,0|2,0,0]=4 11977 B12R0.687 CC(C)OC(=O)OCC(=O)C(C)C 1458a_100000210198_100000003507 [0,2,0,0,0,0|1,0,1]=4 11978 B12R0.687 CC(C)OC(=O)OCC(=O)C(C)F 1458a_100000062450_100000003507 [0,2,0,0,0,0|1,0,1]=4 11979 B12R0.687 CC(C)OC(=O)OCC(=O)[C@@H](C)O 1458a_100000717761_100000003507 [0,2,0,0,0,0|1,0,1]=4 11980 B12R0.687 CC(C)OC(=O)OCC(=O)[C@H](C)O 1458a_217856618621_100000003507 [0,2,0,0,0,0|1,0,1]=4 11981 B12R0.687 CC(C)OC(=O)OCN(C)C(C)C 269982a_200000211004_100010125566 [0,2,0,0,0,0|2,0,0]=4 11982 B12R0.697 CC(C)CCNS(=O)(=O)CC(C)C 270084a_100000210545_100000748289 [0,2,0,0,0,0|2,0,0]=4 11983 B12R0.697 CC(C)CCNS(=O)(=O)CC(C)C 274078a_100000210545_100000748289 [0,2,0,0,0,0|2,0,0]=4 11984 B12R0.697 CC(C)CS(=O)(=O)NCCC(C)O 270084a_200000755665_100000748289 [0,2,0,0,0,0|2,0,0]=4 11985 B12R0.697 CC(C)CS(=O)(=O)NCCC(C)O 274078a_200000755665_100000748289 [0,2,0,0,0,0|2,0,0]=4 11986 B12R0.23 CCCCN(C)S(=O)(=O)CC(C)C 270084a_100000207549_100000748289 [0,2,0,0,0,0|2,0,0]=4 11987 B12R0.23 CCCCN(C)S(=O)(=O)CC(C)C 274078a_100000207549_100000748289 [0,2,0,0,0,0|2,0,0]=4 11988 B12R0.97 CC(C)C(C)C(=O)N(C)CCCO 240690a_100000213112_100000755409 [0,2,0,0,0,0|2,0,0]=4 11989 B12R0.97 CC(C)C(C)C(=O)N(C)CCCO 527a_100000213112_100000755409 [0,2,0,0,0,0|2,0,0]=4 11990 B12R0.97 CC(C)[C@@H](O)C(=O)N(C)CCCO 240690a_100000213112_100000691806 [0,2,0,0,0,0|2,0,0]=4 11991 B12R0.97 CCCCC(C)C(=O)C(C)C(C)C 1458a_100000755409_200011215066 [0,2,0,0,0,0|1,0,0]=3 11992 B12R0.97 CCCCC(C)C(=O)N(C)C(C)C 11a_200000211004_100000725509 [0,2,0,0,0,0|2,0,0]=4 11993 B12R0.97 CCCCC(C)C(=O)N(C)C(C)C 1626a_200000211004_100000725509 [0,2,0,0,0,0|2,0,0]=4 11994 B12R0.97 CCCCC(C)C(=O)N(C)C(C)C 240690a_200000211004_100000725509 [0,2,0,0,0,0|2,0,0]=4 11995 B12R0.97 CCCCC(C)C(=O)N(C)C(C)C 527a_200000211004_100000725509 [0,2,0,0,0,0|2,0,0]=4 11996 B12R0.97 CCCCC(C)C(=O)[C@H](C)N(C)C 1458a_100009822176_200011215066 [0,2,0,0,0,0|2,0,0]=4 11997 B12R0.97 CCCCC(C)C(=O)[C@H](O)C(C)C 1458a_100000691806_200011215066 [0,2,0,0,0,0|1,0,0]=3 11998 B12R0.97 CCCCC(O)C(=O)N(C)C(C)C 240690a_200000211004_100000720857 [0,2,0,0,0,0|2,0,0]=4 11999 B12R0.97 CCCCC(O)C(=O)N(C)C(C)C 527a_200000211004_100000720857 [0,2,0,0,0,0|2,0,0]=4 12000 B12R0.97 CCCCN(C)C(=O)C(C)C(C)C 11a_100000207549_100000755409 [0,2,0,0,0,0|1,0,0]=3 12001 B12R0.97 CCCCN(C)C(=O)C(C)C(C)C 1626a_100000207549_100000755409 [0,2,0,0,0,0|1,0,0]=3 12002 B12R0.97 CCCCN(C)C(=O)C(C)C(C)C 240690a_100000207549_100000755409 [0,2,0,0,0,0|1,0,0]=3 12003 B12R0.97 CCCCN(C)C(=O)C(C)C(C)C 527a_100000207549_100000755409 [0,2,0,0,0,0|1,0,0]=3 12004 B12R0.97 CCCCN(C)C(=O)[C@H](C)N(C)C 240690a_100000207549_100009822176 [0,2,0,0,0,0|2,0,0]=4 12005 B12R0.97 CCCCN(C)C(=O)[C@H](C)N(C)C 527a_100000207549_100009822176 [0,2,0,0,0,0|2,0,0]=4 12006 B12R0.97 CCCCN(C)C(=O)[C@H](O)C(C)C 240690a_100000207549_100000691806 [0,2,0,0,0,0|1,0,0]=3 12007 B12R0.97 COCCN(C)C(=O)C(C)C(C)C 11a_100000743101_100000755409 [0,2,0,0,0,0|2,0,0]=4 12008 B12R0.97 COCCN(C)C(=O)C(C)C(C)C 1626a_100000743101_100000755409 [0,2,0,0,0,0|2,0,0]=4 12009 B12R0.97 COCCN(C)C(=O)C(C)C(C)C 240690a_100000743101_100000755409 [0,2,0,0,0,0|2,0,0]=4 12010 B12R0.97 COCCN(C)C(=O)C(C)C(C)C 527a_100000743101_100000755409 [0,2,0,0,0,0|2,0,0]=4 12011 B12R0.97 COCCN(C)C(=O)[C@H](O)C(C)C 240690a_100000743101_100000691806 [0,2,0,0,0,0|2,0,0]=4 12012 B12R0.97 CSCCN(C)C(=O)C(C)C(C)C 11a_100000686725_100000755409 [0,2,0,0,0,0|2,0,0]=4 12013 B12R0.97 CSCCN(C)C(=O)C(C)C(C)C 1626a_100000686725_100000755409 [0,2,0,0,0,0|2,0,0]=4 12014 B12R0.97 CSCCN(C)C(=O)C(C)C(C)C 240690a_100000686725_100000755409 [0,2,0,0,0,0|2,0,0]=4 12015 B12R0.97 CSCCN(C)C(=O)C(C)C(C)C 527a_100000686725_100000755409 [0,2,0,0,0,0|2,0,0]=4 12016 B12R0.97 CSCCN(C)C(=O)[C@H](O)C(C)C 240690a_100000686725_100000691806 [0,2,0,0,0,0|2,0,0]=4 12017 B12R0.215 CCCCC(CC)C(=O)CC(C)C 1458a_100000210554_200011216223 [0,2,0,0,0,0|1,0,0]=3 12018 B12R0.215 CCCCC(CC)C(=O)CC(C)C 1458a_100000211130_100000210624 [0,2,0,0,0,0|1,0,0]=3 12019 B12R0.215 CCCCC(CC)C(=O)CC(C)O 1458a_100000211130_100011218427 [0,2,0,0,0,0|2,0,0]=4 12020 B12R0.215 CCCCC(CC)C(=O)CN(C)C 1458a_100000750896_200011216223 [0,2,0,0,0,0|2,0,0]=4 12021 B12R0.215 CCCCC(CC)C(=O)C[C@@H](C)O 1458a_100011933948_200011216223 [0,2,0,0,0,0|2,0,0]=4 12022 B12R0.215 CCCCC(CC)C(=O)C[S+](C)C 1458a_200159257847_200011216223 [0,2,0,0,0,0|2,0,0]=4 12023 B12R0.215 CCCCC(CC)C(=O)NC(C)C 11a_100138425928_100000211130 [0,2,0,0,0,0|2,0,0]=4 12024 B12R0.215 CCCCC(CC)C(=O)NC(C)C 1626a_100138425928_100000211130 [0,2,0,0,0,0|2,0,0]=4 12025 B12R0.215 CCCCC(CC)C(=O)NC(C)C 240690a_100138425928_100000211130 [0,2,0,0,0,0|2,0,0]=4 12026 B12R0.215 CCCCC(CC)C(=O)NC(C)C 527a_100138425928_100000211130 [0,2,0,0,0,0|2,0,0]=4 12027 B12R0.215 CCCCN(CC)C(=O)CC(C)C 11a_100000207695_100000210554 [0,2,0,0,0,0|1,0,0]=3 12028 B12R0.215 CCCCN(CC)C(=O)CC(C)C 1626a_100000207695_100000210554 [0,2,0,0,0,0|1,0,0]=3 12029 B12R0.215 CCCCN(CC)C(=O)CC(C)C 240690a_100000207695_100000210554 [0,2,0,0,0,0|1,0,0]=3 12030 B12R0.215 CCCCN(CC)C(=O)CC(C)C 527a_100000207695_100000210554 [0,2,0,0,0,0|1,0,0]=3 12031 B12R0.215 CCCCN(CC)C(=O)CN(C)C 11a_100000207695_100000750896 [0,2,0,0,0,0|2,0,0]=4 12032 B12R0.215 CCCCN(CC)C(=O)CN(C)C 2230a_100102631434_100000230192 [0,2,0,0,0,0|2,0,0]=4 12033 B12R0.215 CCCCN(CC)C(=O)CN(C)C 240690a_100000207695_100000750896 [0,2,0,0,0,0|2,0,0]=4 12034 B12R0.215 CCCCN(CC)C(=O)CN(C)C 269982a_100102631434_100000230192 [0,2,0,0,0,0|2,0,0]=4 12035 B12R0.215 CCCCN(CC)C(=O)CN(C)C 527a_100000207695_100000750896 [0,2,0,0,0,0|2,0,0]=4 12036 B12R0.215 CCCCN(CC)C(=O)C[C@@H](C)O 240690a_100000207695_100011933948 [0,2,0,0,0,0|2,0,0]=4 12037 B12R0.215 CCCCN(CC)C(=O)C[S+](C)C 11a_100000207695_200159257847 [0,2,0,0,0,0|2,0,0]=4 12038 B12R0.215 CCCCN(CC)C(=O)C[S+](C)C 1626a_100000207695_200159257847 [0,2,0,0,0,0|2,0,0]=4 12039 B12R0.215 CCCCN(CC)C(=O)C[S+](C)C 240690a_100000207695_200159257847 [0,2,0,0,0,0|2,0,0]=4 12040 B12R0.215 CCCCN(CC)C(=O)C[S+](C)C 527a_100000207695_200159257847 [0,2,0,0,0,0|2,0,0]=4 12041 B12R0.215 CCCCN(CC)C(=O)NC(C)C 2708a_100138425928_100000207695 [0,2,0,0,0,0|2,0,0]=4 12042 B12R0.215 CCCCN(CC)C(=O)NC(C)C 273464a_100138425928_100000207695 [0,2,0,0,0,0|2,0,0]=4 12043 B12R0.215 CCN(CCOC)C(=O)CC(C)C 11a_100000731262_100000210554 [0,2,0,0,0,0|2,0,0]=4 12044 B12R0.215 CCN(CCOC)C(=O)CC(C)C 1626a_100000731262_100000210554 [0,2,0,0,0,0|2,0,0]=4 12045 B12R0.215 CCN(CCOC)C(=O)CC(C)C 240690a_100000731262_100000210554 [0,2,0,0,0,0|2,0,0]=4 12046 B12R0.215 CCN(CCOC)C(=O)CC(C)C 527a_100000731262_100000210554 [0,2,0,0,0,0|2,0,0]=4 12047 B12R0.235 CC(C)CC(=O)N(C)CC(O)CO 240690a_100011216503_100000210554 [0,2,0,0,0,0|2,0,0]=4 12048 B12R0.235 CC(C)CC(=O)N(C)CC(O)CO 527a_100011216503_100000210554 [0,2,0,0,0,0|2,0,0]=4 12049 B12R0.235 CCC(C)CC(=O)C(=O)NC(C)C 1458a_100011220036_100000748023 [0,2,0,0,0,0|2,0,0]=4 12050 B12R0.235 CCC(C)CN(C)C(=O)CC(C)C 11a_100000753921_100000210554 [0,2,0,0,0,0|1,0,0]=3 12051 B12R0.235 CCC(C)CN(C)C(=O)CC(C)C 1626a_100000753921_100000210554 [0,2,0,0,0,0|1,0,0]=3 12052 B12R0.235 CCC(C)CN(C)C(=O)CC(C)C 240690a_100000753921_100000210554 [0,2,0,0,0,0|1,0,0]=3 12053 B12R0.235 CCC(C)CN(C)C(=O)CC(C)C 527a_100000753921_100000210554 [0,2,0,0,0,0|1,0,0]=3 12054 B12R0.235 CCC(C)CN(C)C(=O)CN(C)C 11a_100000753921_100000750896 [0,2,0,0,0,0|2,0,0]=4 12055 B12R0.235 CCC(C)CN(C)C(=O)CN(C)C 240690a_100000753921_100000750896 [0,2,0,0,0,0|2,0,0]=4 12056 B12R0.235 CCC(C)CN(C)C(=O)CN(C)C 527a_100000753921_100000750896 [0,2,0,0,0,0|2,0,0]=4 12057 B12R0.235 CCC(C)CN(C)C(=O)C[C@@H](C)O 240690a_100000753921_100011933948 [0,2,0,0,0,0|2,0,0]=4 12058 B12R0.235 CCC(C)CN(C)C(=O)C[S+](C)C 11a_100000753921_200159257847 [0,2,0,0,0,0|2,0,0]=4 12059 B12R0.235 CCC(C)CN(C)C(=O)C[S+](C)C 1626a_100000753921_200159257847 [0,2,0,0,0,0|2,0,0]=4 12060 B12R0.235 CCC(C)CN(C)C(=O)C[S+](C)C 240690a_100000753921_200159257847 [0,2,0,0,0,0|2,0,0]=4 12061 B12R0.235 CCC(C)CN(C)C(=O)C[S+](C)C 527a_100000753921_200159257847 [0,2,0,0,0,0|2,0,0]=4 12062 B12R0.235 CCC(C)CN(C)C(=O)NC(C)C 2708a_100138425928_100000753921 [0,2,0,0,0,0|2,0,0]=4 12063 B12R0.235 CCC(C)CN(C)C(=O)NC(C)C 273464a_100138425928_100000753921 [0,2,0,0,0,0|2,0,0]=4 12064 B12R0.235 CCC(C)NC(=O)C(=O)CC(C)C 1458a_200011297154_100000210624 [0,2,0,0,0,0|2,0,0]=4 12065 B12R0.235 CCC(O)CC(=O)C(=O)NC(C)C 1458a_100011220036_100011218378 [0,2,0,0,0,0|2,0,0]=4 12066 B12R0.235 CCN(C)CC(C)C(=O)CC(C)C 1458a_200015185930_100000210624 [0,2,0,0,0,0|2,0,0]=4 12067 B12R0.235 CC[C@H](C)CC(=O)C(=O)NC(C)C 1458a_100011220036_100009816398 [0,2,0,0,0,0|2,0,0]=4 12068 B12R0.252 C=CC(C)CC(=O)C(C)CCCC 1458a_100011934298_200011215066 [0,2,0,0,0,0|1,0,1]=4 12069 B12R0.252 C=CC(C)CC(=O)N(C)CCCC 11a_100000207549_100011934298 [0,2,0,0,0,0|1,0,1]=4 12070 B12R0.252 C=CC(C)CC(=O)N(C)CCCC 1626a_100000207549_100011934298 [0,2,0,0,0,0|1,0,1]=4 12071 B12R0.252 C=CC(C)CC(=O)N(C)CCCC 240690a_100000207549_100011934298 [0,2,0,0,0,0|1,0,1]=4 12072 B12R0.252 C=CC(C)CC(=O)N(C)CCCC 527a_100000207549_100011934298 [0,2,0,0,0,0|1,0,1]=4 12073 B12R0.252 CCC(C)CC(=O)C(O)CCSC 1458a_100000685904_100000748023 [0,2,0,0,0,0|2,0,0]=4 12074 B12R0.252 CCC(C)CC(=O)N(C)CCCO 240690a_100000213112_100000708755 [0,2,0,0,0,0|2,0,0]=4 12075 B12R0.252 CCC(C)CC(=O)N(C)CCCO 527a_100000213112_100000708755 [0,2,0,0,0,0|2,0,0]=4 12076 B12R0.252 CCC(C)CC(=O)N(C)CCOC 11a_100000743101_100000708755 [0,2,0,0,0,0|2,0,0]=4 12077 B12R0.252 CCC(C)CC(=O)N(C)CCOC 1626a_100000743101_100000708755 [0,2,0,0,0,0|2,0,0]=4 12078 B12R0.252 CCC(C)CC(=O)N(C)CCOC 240690a_100000743101_100000708755 [0,2,0,0,0,0|2,0,0]=4 12079 B12R0.252 CCC(C)CC(=O)N(C)CCOC 527a_100000743101_100000708755 [0,2,0,0,0,0|2,0,0]=4 12080 B12R0.252 CCC(C)CC(=O)N(C)CCSC 11a_100000686725_100000708755 [0,2,0,0,0,0|2,0,0]=4 12081 B12R0.252 CCC(C)CC(=O)N(C)CCSC 1626a_100000686725_100000708755 [0,2,0,0,0,0|2,0,0]=4 12082 B12R0.252 CCC(C)CC(=O)N(C)CCSC 240690a_100000686725_100000708755 [0,2,0,0,0,0|2,0,0]=4 12083 B12R0.252 CCC(C)CC(=O)N(C)CCSC 527a_100000686725_100000708755 [0,2,0,0,0,0|2,0,0]=4 12084 B12R0.252 CCC/C=C(\C)/C(=O)CC(C)CC 1458a_200020648666_100000748023 [0,2,0,0,0,0|1,0,1]=4 12085 B12R0.252 CCC/C=C(\C)/C(=O)C[C@@H](C)CC 1458a_200020648666_100009816398 [0,2,0,0,0,0|1,0,1]=4 12086 B12R0.252 CCC/C=C(\C)/C(=O)C[C@@H](C)CO 1458a_200020648666_100000059175 [0,2,0,0,0,0|1,0,1]=4 12087 B12R0.252 CCCCC(=O)C(=O)NC(C)CC 1458a_200011297154_100000210211 [0,2,0,0,0,0|2,0,0]=4 12088 B12R0.252 CCCCC(C)C(=O)CC(C)CC 1458a_100000708755_200011215066 [0,2,0,0,0,0|1,0,0]=3 12089 B12R0.252 CCCCC(C)C(=O)CC(C)CC 1458a_100000725509_100000748023 [0,2,0,0,0,0|1,0,0]=3 12090 B12R0.252 CCCCC(C)C(=O)CC(O)CC 1458a_100000725509_100011218378 [0,2,0,0,0,0|2,0,0]=4 12091 B12R0.252 CCCCC(C)C(=O)CC(O)CC 1458a_100011667805_200011215066 [0,2,0,0,0,0|2,0,0]=4 12092 B12R0.252 CCCCC(C)C(=O)CN(C)CC 1458a_100116209913_200011215066 [0,2,0,0,0,0|2,0,0]=4 12093 B12R0.252 CCCCC(C)C(=O)C[C@@H](C)CC 1458a_100000725509_100009816398 [0,2,0,0,0,0|1,0,0]=3 12094 B12R0.252 CCCCC(C)C(=O)C[C@@H](C)CO 1458a_100000725509_100000059175 [0,2,0,0,0,0|1,0,0]=3 12095 B12R0.252 CCCCC(C)C(=O)NC(C)CC 11a_100000209981_100000725509 [0,2,0,0,0,0|2,0,0]=4 12096 B12R0.252 CCCCC(C)C(=O)NC(C)CC 1626a_100000209981_100000725509 [0,2,0,0,0,0|2,0,0]=4 12097 B12R0.252 CCCCC(C)C(=O)NC(C)CC 240690a_100000209981_100000725509 [0,2,0,0,0,0|2,0,0]=4 12098 B12R0.252 CCCCC(C)C(=O)NC(C)CC 527a_100000209981_100000725509 [0,2,0,0,0,0|2,0,0]=4 12099 B12R0.252 CCCCC(C)C(=O)N[C@H](C)CF 11a_100102880703_100000725509 [0,2,0,0,0,0|2,0,0]=4 12100 B12R0.252 CCCCC(C)C(=O)N[C@H](C)CF 1626a_100102880703_100000725509 [0,2,0,0,0,0|2,0,0]=4 12101 B12R0.252 CCCCC(C)C(=O)N[C@H](C)CF 240690a_100102880703_100000725509 [0,2,0,0,0,0|2,0,0]=4 12102 B12R0.252 CCCCC(C)C(=O)N[C@H](C)CF 527a_100102880703_100000725509 [0,2,0,0,0,0|2,0,0]=4 12103 B12R0.252 CCCCC(C)C(=O)N[C@H](C)CO 240690a_100000737577_100000725509 [0,2,0,0,0,0|2,0,0]=4 12104 B12R0.252 CCCCC(C)C(=O)N[C@H](C)CO 527a_100000737577_100000725509 [0,2,0,0,0,0|2,0,0]=4 12105 B12R0.252 CCCCC(O)C(=O)CC(C)CC 1458a_100000720857_100000748023 [0,2,0,0,0,0|1,0,0]=3 12106 B12R0.252 CCCCC(O)C(=O)CC(O)CC 1458a_100000720857_100011218378 [0,2,0,0,0,0|2,0,0]=4 12107 B12R0.252 CCCCC(O)C(=O)C[C@@H](C)CC 1458a_100000720857_100009816398 [0,2,0,0,0,0|1,0,0]=3 12108 B12R0.252 CCCCC(O)C(=O)C[C@@H](C)CO 1458a_100000720857_100000059175 [0,2,0,0,0,0|1,0,0]=3 12109 B12R0.252 CCCCC(O)C(=O)NC(C)CC 240690a_100000209981_100000720857 [0,2,0,0,0,0|2,0,0]=4 12110 B12R0.252 CCCCC(O)C(=O)NC(C)CC 527a_100000209981_100000720857 [0,2,0,0,0,0|2,0,0]=4 12111 B12R0.252 CCCCC(O)C(=O)N[C@H](C)CF 240690a_100102880703_100000720857 [0,2,0,0,0,0|2,0,0]=4 12112 B12R0.252 CCCCC(O)C(=O)N[C@H](C)CF 527a_100102880703_100000720857 [0,2,0,0,0,0|2,0,0]=4 12113 B12R0.252 CCCCC(O)C(=O)N[C@H](C)CO 240690a_100000737577_100000720857 [0,2,0,0,0,0|2,0,0]=4 12114 B12R0.252 CCCCC(O)C(=O)N[C@H](C)CO 527a_100000737577_100000720857 [0,2,0,0,0,0|2,0,0]=4 12115 B12R0.252 CCCCN(C)C(=O)CC(C)CC 11a_100000207549_100000708755 [0,2,0,0,0,0|1,0,0]=3 12116 B12R0.252 CCCCN(C)C(=O)CC(C)CC 1626a_100000207549_100000708755 [0,2,0,0,0,0|1,0,0]=3 12117 B12R0.252 CCCCN(C)C(=O)CC(C)CC 240690a_100000207549_100000708755 [0,2,0,0,0,0|1,0,0]=3 12118 B12R0.252 CCCCN(C)C(=O)CC(C)CC 527a_100000207549_100000708755 [0,2,0,0,0,0|1,0,0]=3 12119 B12R0.252 CCCCN(C)C(=O)CC(O)CC 1626a_100000207549_100011667805 [0,2,0,0,0,0|2,0,0]=4 12120 B12R0.252 CCCCN(C)C(=O)CC(O)CC 240690a_100000207549_100011667805 [0,2,0,0,0,0|2,0,0]=4 12121 B12R0.252 CCCCN(C)C(=O)CN(C)CC 2230a_100000225621_100000230175 [0,2,0,0,0,0|2,0,0]=4 12122 B12R0.252 CCCCN(C)C(=O)CN(C)CC 240690a_100000207549_100116209913 [0,2,0,0,0,0|2,0,0]=4 12123 B12R0.252 CCCCN(C)C(=O)CN(C)CC 269982a_100000225621_100000230175 [0,2,0,0,0,0|2,0,0]=4 12124 B12R0.252 CCCCN(C)C(=O)CN(C)CC 527a_100000207549_100116209913 [0,2,0,0,0,0|2,0,0]=4 12125 B12R0.252 CCCCN(C)C(=O)NC(C)CC 2708a_100000209981_100000207549 [0,2,0,0,0,0|2,0,0]=4 12126 B12R0.252 CCCCN(C)C(=O)NC(C)CC 273464a_100000209981_100000207549 [0,2,0,0,0,0|2,0,0]=4 12127 B12R0.252 CCCCN(C)C(=O)N[C@H](C)CF 273464a_100102880703_100000207549 [0,2,0,0,0,0|2,0,0]=4 12128 B12R0.252 CCCCN(C)C(=O)N[C@H](C)CO 273464a_100000737577_100000207549 [0,2,0,0,0,0|2,0,0]=4 12129 B12R0.252 CCCNC(=O)C(=O)CC(C)CC 1458a_200011297150_100000748023 [0,2,0,0,0,0|2,0,0]=4 12130 B12R0.252 CCCNC(=O)C(=O)C[C@@H](C)CC 1458a_200011297150_100009816398 [0,2,0,0,0,0|2,0,0]=4 12131 B12R0.252 CCCNC(=O)C(=O)C[C@@H](C)CO 1458a_200011297150_100000059175 [0,2,0,0,0,0|2,0,0]=4 12132 B12R0.252 CC[C@H](C)CC(=O)C(O)CCSC 1458a_100000685904_100009816398 [0,2,0,0,0,0|2,0,0]=4 12133 B12R0.252 CSCCC(O)C(=O)C[C@@H](C)CO 1458a_100000685904_100000059175 [0,2,0,0,0,0|2,0,0]=4 12134 B12R0.327 CCCCC(C)(C)C(=O)CC(C)C 1458a_100011216040_100000210624 [0,2,0,0,0,0|1,0,0]=3 12135 B12R0.327 CCCCC(C)(C)C(=O)CC(C)O 1458a_100011216040_100011218427 [0,2,0,0,0,0|2,0,0]=4 12136 B12R0.327 CCCCC(C)(C)C(=O)NC(C)C 11a_100138425928_100011216040 [0,2,0,0,0,0|2,0,0]=4 12137 B12R0.327 CCCCC(C)(C)C(=O)NC(C)C 1626a_100138425928_100011216040 [0,2,0,0,0,0|2,0,0]=4 12138 B12R0.327 CCCCC(C)(C)C(=O)NC(C)C 240690a_100138425928_100011216040 [0,2,0,0,0,0|2,0,0]=4 12139 B12R0.327 CCCCC(C)(C)C(=O)NC(C)C 527a_100138425928_100011216040 [0,2,0,0,0,0|2,0,0]=4 12140 B12R0.327 CCCCC(C)(O)C(=O)CC(C)C 1458a_100000137666_100000210624 [0,2,0,0,0,0|1,0,0]=3 12141 B12R0.327 CCCCC(C)(O)C(=O)CC(C)O 1458a_100000137666_100011218427 [0,2,0,0,0,0|2,0,0]=4 12142 B12R0.327 CCCCC(C)(O)C(=O)NC(C)C 240690a_100138425928_100000137666 [0,2,0,0,0,0|2,0,0]=4 12143 B12R0.327 CCCCC(F)(F)C(=O)CC(C)C 1458a_100000100317_100000210624 [0,2,0,0,0,0|1,0,0]=3 12144 B12R0.327 CCCCC(F)(F)C(=O)CC(C)O 1458a_100000100317_100011218427 [0,2,0,0,0,0|2,0,0]=4 12145 B12R0.327 CCCCC(F)(F)C(=O)NC(C)C 11a_100138425928_100000100317 [0,2,0,0,0,0|2,0,0]=4 12146 B12R0.327 CCCCC(F)(F)C(=O)NC(C)C 1626a_100138425928_100000100317 [0,2,0,0,0,0|2,0,0]=4 12147 B12R0.327 CCCCC(F)(F)C(=O)NC(C)C 240690a_100138425928_100000100317 [0,2,0,0,0,0|2,0,0]=4 12148 B12R0.327 CCCCC(F)(F)C(=O)NC(C)C 527a_100138425928_100000100317 [0,2,0,0,0,0|2,0,0]=4 12149 B12R0.410 CCCCC(=O)C(=O)NC(C)(C)C 1458a_100000238687_100000210211 [0,2,0,0,0,0|2,0,0]=4 12150 B12R0.410 CCCCC(C)C(=O)CC(C)(C)C 1458a_100000211214_200011215066 [0,2,0,0,0,0|1,0,0]=3 12151 B12R0.410 CCCCC(C)C(=O)CC(C)(C)O 1458a_100000693243_200011215066 [0,2,0,0,0,0|1,0,0]=3 12152 B12R0.410 CCCCC(C)C(=O)C[N+](C)(C)C 1458a_100000033712_200011215066 [0,2,0,0,0,0|2,0,0]=4 12153 B12R0.410 CCCCC(C)C(=O)C[Si](C)(C)C 1458a_100000725509_100000233785 [0,2,0,0,0,0|1,1,0]=4 12154 B12R0.410 CCCCC(C)C(=O)C[Si](C)(C)C 1458a_100011218504_200011215066 [0,2,0,0,0,0|1,1,0]=4 12155 B12R0.410 CCCCC(C)C(=O)NC(C)(C)C 11a_100000715429_100000725509 [0,2,0,0,0,0|2,0,0]=4 12156 B12R0.410 CCCCC(C)C(=O)NC(C)(C)C 1626a_100000715429_100000725509 [0,2,0,0,0,0|2,0,0]=4 12157 B12R0.410 CCCCC(C)C(=O)NC(C)(C)C 240690a_100000715429_100000725509 [0,2,0,0,0,0|2,0,0]=4 12158 B12R0.410 CCCCC(C)C(=O)NC(C)(C)C 527a_100000715429_100000725509 [0,2,0,0,0,0|2,0,0]=4 12159 B12R0.410 CCCCC(O)C(=O)C[Si](C)(C)C 1458a_100000720857_100000233785 [0,2,0,0,0,0|1,1,0]=4 12160 B12R0.410 CCCCC(O)C(=O)NC(C)(C)C 240690a_100000715429_100000720857 [0,2,0,0,0,0|2,0,0]=4 12161 B12R0.410 CCCCC(O)C(=O)NC(C)(C)C 527a_100000715429_100000720857 [0,2,0,0,0,0|2,0,0]=4 12162 B12R0.410 CCCCN(C)C(=O)CC(C)(C)C 11a_100000207549_100000211214 [0,2,0,0,0,0|1,0,0]=3 12163 B12R0.410 CCCCN(C)C(=O)CC(C)(C)C 1626a_100000207549_100000211214 [0,2,0,0,0,0|1,0,0]=3 12164 B12R0.410 CCCCN(C)C(=O)CC(C)(C)C 240690a_100000207549_100000211214 [0,2,0,0,0,0|1,0,0]=3 12165 B12R0.410 CCCCN(C)C(=O)CC(C)(C)C 527a_100000207549_100000211214 [0,2,0,0,0,0|1,0,0]=3 12166 B12R0.410 CCCCN(C)C(=O)CC(C)(C)O 527a_100000207549_100000693243 [0,2,0,0,0,0|1,0,0]=3 12167 B12R0.410 CCCCN(C)C(=O)C[N+](C)(C)C 11a_100000207549_100000033712 [0,2,0,0,0,0|2,0,0]=4 12168 B12R0.410 CCCCN(C)C(=O)C[N+](C)(C)C 1626a_100000207549_100000033712 [0,2,0,0,0,0|2,0,0]=4 12169 B12R0.410 CCCCN(C)C(=O)C[N+](C)(C)C 240690a_100000207549_100000033712 [0,2,0,0,0,0|2,0,0]=4 12170 B12R0.410 CCCCN(C)C(=O)C[N+](C)(C)C 527a_100000207549_100000033712 [0,2,0,0,0,0|2,0,0]=4 12171 B12R0.410 CCCCN(C)C(=O)C[Si](C)(C)C 11a_100000207549_100011218504 [0,2,0,0,0,0|1,1,0]=4 12172 B12R0.410 CCCCN(C)C(=O)C[Si](C)(C)C 1626a_100000207549_100011218504 [0,2,0,0,0,0|1,1,0]=4 12173 B12R0.410 CCCCN(C)C(=O)NC(C)(C)C 273464a_100000715429_100000207549 [0,2,0,0,0,0|2,0,0]=4 12174 B12R0.410 CN(CCCO)C(=O)CC(C)(C)C 240690a_100000213112_100000211214 [0,2,0,0,0,0|2,0,0]=4 12175 B12R0.410 CN(CCCO)C(=O)CC(C)(C)C 527a_100000213112_100000211214 [0,2,0,0,0,0|2,0,0]=4 12176 B12R0.410 CN(CCCO)C(=O)CC(C)(C)O 527a_100000213112_100000693243 [0,2,0,0,0,0|2,0,0]=4 12177 B12R0.410 COCCN(C)C(=O)CC(C)(C)C 11a_100000743101_100000211214 [0,2,0,0,0,0|2,0,0]=4 12178 B12R0.410 COCCN(C)C(=O)CC(C)(C)C 1626a_100000743101_100000211214 [0,2,0,0,0,0|2,0,0]=4 12179 B12R0.410 COCCN(C)C(=O)CC(C)(C)C 240690a_100000743101_100000211214 [0,2,0,0,0,0|2,0,0]=4 12180 B12R0.410 COCCN(C)C(=O)CC(C)(C)C 527a_100000743101_100000211214 [0,2,0,0,0,0|2,0,0]=4 12181 B12R0.410 COCCN(C)C(=O)CC(C)(C)O 527a_100000743101_100000693243 [0,2,0,0,0,0|2,0,0]=4 12182 B12R0.410 CSCCN(C)C(=O)CC(C)(C)C 11a_100000686725_100000211214 [0,2,0,0,0,0|2,0,0]=4 12183 B12R0.410 CSCCN(C)C(=O)CC(C)(C)C 1626a_100000686725_100000211214 [0,2,0,0,0,0|2,0,0]=4 12184 B12R0.410 CSCCN(C)C(=O)CC(C)(C)C 240690a_100000686725_100000211214 [0,2,0,0,0,0|2,0,0]=4 12185 B12R0.410 CSCCN(C)C(=O)CC(C)(C)C 527a_100000686725_100000211214 [0,2,0,0,0,0|2,0,0]=4 12186 B12R0.410 CSCCN(C)C(=O)CC(C)(C)O 527a_100000686725_100000693243 [0,2,0,0,0,0|2,0,0]=4 12187 B12R0.120 CCCCN[C@@H](CC(C)C)C(=O)N 2230a_100016989234_100000210211 [0,2,0,0,0,0|1,0,1]=4 12188 B12R0.120 CCCCN[C@@H](CC(C)C)C(=O)N 34a_100016989234_100000210210 [0,2,0,0,0,0|1,0,1]=4 12189 B12R0.120 CCCCOC(CC(C)C)C(C)C 34a_200011219802_100000210210 [0,2,0,0,0,0|1,0,1]=4 12190 B12R0.120 CCCCOC(CC(C)C)C(C)C 7a_200011219802_100000210211 [0,2,0,0,0,0|1,0,1]=4 12191 B12R0.126 CCCCOC(CC)CC(C)CC 7a_200011216566_100000210211 [0,2,0,0,0,0|1,0,1]=4 12192 B12R0.256 CC=CC(CC(C)C)OCCCC 34a_100020643927_100000210210 [0,2,0,0,0,0|1,0,1]=4 12193 B12R0.256 CC=CC(CC(C)C)OCCCC 7a_100020643927_100000210211 [0,2,0,0,0,0|1,0,1]=4 12194 B12R0.256 CCCCOC(CCC)CC(C)C 34a_100011351045_100000210210 [0,2,0,0,0,0|1,0,1]=4 12195 B12R0.256 CCCCOC(CCC)CC(C)C 7a_100011351045_100000210211 [0,2,0,0,0,0|1,0,1]=4 12196 B12R0.322 C#CC(CC(C)C)OCC(C)CC 34a_100011215986_100000748023 [0,2,0,0,0,0|1,0,1]=4 12197 B12R0.322 C#CC(CC(C)C)OCC(C)CC 7a_100011215986_100000748023 [0,2,0,0,0,0|1,0,1]=4 12198 B12R0.322 C#CC(CC(C)C)OCC(O)CC 34a_100011215986_100011218378 [0,2,0,0,0,0|1,0,1]=4 12199 B12R0.322 C#CC(CC(C)C)OCC(O)CC 7a_100011215986_100011218378 [0,2,0,0,0,0|1,0,1]=4 12200 B12R0.322 C#CC(CC(C)C)OC[C@@H](C)CC 34a_100011215986_100009816398 [0,2,0,0,0,0|1,0,1]=4 12201 B12R0.322 C#CC(CC(C)C)OC[C@@H](C)CC 7a_100011215986_100009816398 [0,2,0,0,0,0|1,0,1]=4 12202 B12R0.322 C=CC(CC(C)C)OCC(C)CC 34a_100012186643_100000748023 [0,2,0,0,0,0|1,0,1]=4 12203 B12R0.322 C=CC(CC(C)C)OCC(C)CC 7a_100012186643_100000748023 [0,2,0,0,0,0|1,0,1]=4 12204 B12R0.322 C=CC(CC(C)C)OCC(O)CC 34a_100012186643_100011218378 [0,2,0,0,0,0|1,0,1]=4 12205 B12R0.322 C=CC(CC(C)C)OCC(O)CC 7a_100012186643_100011218378 [0,2,0,0,0,0|1,0,1]=4 12206 B12R0.322 C=CC(CC(C)C)OC[C@@H](C)CC 34a_100012186643_100009816398 [0,2,0,0,0,0|1,0,1]=4 12207 B12R0.322 C=CC(CC(C)C)OC[C@@H](C)CC 7a_100012186643_100009816398 [0,2,0,0,0,0|1,0,1]=4 12208 B12R0.322 CCC(C)COC(C#N)CC(C)C 34a_200011294978_100000748023 [0,2,0,0,0,0|1,0,1]=4 12209 B12R0.322 CCC(C)COC(C#N)CC(C)C 7a_200011294978_100000748023 [0,2,0,0,0,0|1,0,1]=4 12210 B12R0.322 CCC(O)COC(C#N)CC(C)C 34a_200011294978_100011218378 [0,2,0,0,0,0|1,0,1]=4 12211 B12R0.322 CCC(O)COC(C#N)CC(C)C 7a_200011294978_100011218378 [0,2,0,0,0,0|1,0,1]=4 12212 B12R0.322 CC[C@H](C)COC(C#N)CC(C)C 34a_200011294978_100009816398 [0,2,0,0,0,0|1,0,1]=4 12213 B12R0.322 CC[C@H](C)COC(C#N)CC(C)C 7a_200011294978_100009816398 [0,2,0,0,0,0|1,0,1]=4 12214 B12R0.642 C#CC(C)(CC(C)C)OCCCC 34a_100011215516_100000210210 [0,2,0,0,0,0|1,0,1]=4 12215 B12R0.642 C#CC(C)(CC(C)C)OCCCC 7a_100011215516_100000210211 [0,2,0,0,0,0|1,0,1]=4 12216 B12R0.642 CCCCOC(C)(CC)CC(C)C 7a_200011215086_100000210211 [0,2,0,0,0,0|1,0,1]=4 12217 B12R0.33 CCC(CC)CNC(=O)CC(C)C 11a_100102946423_100000210554 [0,2,0,0,0,0|1,0,0]=3 12218 B12R0.33 CCC(CC)CNC(=O)CC(C)C 1626a_100102946423_100000210554 [0,2,0,0,0,0|1,0,0]=3 12219 B12R0.33 CCC(CC)CNC(=O)CC(C)C 240690a_100102946423_100000210554 [0,2,0,0,0,0|1,0,0]=3 12220 B12R0.33 CCC(CC)CNC(=O)CC(C)C 527a_100102946423_100000210554 [0,2,0,0,0,0|1,0,0]=3 12221 B12R0.33 CCC(CC)CNC(=O)CN(C)C 11a_100102946423_100000750896 [0,2,0,0,0,0|2,0,0]=4 12222 B12R0.33 CCC(CC)CNC(=O)CN(C)C 240690a_100102946423_100000750896 [0,2,0,0,0,0|2,0,0]=4 12223 B12R0.33 CCC(CC)CNC(=O)CN(C)C 527a_100102946423_100000750896 [0,2,0,0,0,0|2,0,0]=4 12224 B12R0.33 CCC(CC)CNC(=O)C[C@@H](C)O 240690a_100102946423_100011933948 [0,2,0,0,0,0|2,0,0]=4 12225 B12R0.33 CCC(CC)CNC(=O)C[S+](C)C 11a_100102946423_200159257847 [0,2,0,0,0,0|2,0,0]=4 12226 B12R0.33 CCC(CC)CNC(=O)C[S+](C)C 1626a_100102946423_200159257847 [0,2,0,0,0,0|2,0,0]=4 12227 B12R0.33 CCC(CC)CNC(=O)C[S+](C)C 240690a_100102946423_200159257847 [0,2,0,0,0,0|2,0,0]=4 12228 B12R0.33 CCC(CC)CNC(=O)C[S+](C)C 527a_100102946423_200159257847 [0,2,0,0,0,0|2,0,0]=4 12229 B12R0.33 CCC(CC)CNC(=O)NC(C)C 2708a_100102946423_100138425928 [0,2,0,0,0,0|2,0,0]=4 12230 B12R0.33 CCC(CC)CNC(=O)NC(C)C 2708a_100138425928_100102946423 [0,2,0,0,0,0|2,0,0]=4 12231 B12R0.33 CCC(CC)CNC(=O)NC(C)C 273464a_100138425928_100102946423 [0,2,0,0,0,0|2,0,0]=4 12232 B12R0.33 CCC(CC)CNC(=O)NC(C)C 512a_100102946423_100138425928 [0,2,0,0,0,0|2,0,0]=4 12233 B12R0.33 CCC(CC)CNC(=O)NC(C)C 512a_100138425928_100102946423 [0,2,0,0,0,0|2,0,0]=4 12234 B12R0.33 CCC(CC)COC(C)CC(C)C 34a_100000211805_100011215472 [0,2,0,0,0,0|1,0,1]=4 12235 B12R0.33 CCC(CC)COC(C)CC(C)C 7a_100000211805_100011215472 [0,2,0,0,0,0|1,0,1]=4 12236 B12R0.33 CCC(CC)COC(C)CC(C)C 7a_100000703878_100000731052 [0,2,0,0,0,0|1,0,1]=4 12237 B12R0.33 CCC(CC)NNC(=O)CC(C)C 22a_100000756293_100000210554 [0,2,0,0,0,0|2,0,0]=4 12238 B12R0.33 CCC(CC)OCC(=O)CC(C)C 1458a_100012002705_100000210624 [0,2,0,0,0,0|2,0,0]=4 12239 B12R0.33 CCC(CNC(=O)CC(C)C)OC 11a_100000731041_100000210554 [0,2,0,0,0,0|1,0,0]=3 12240 B12R0.33 CCC(CNC(=O)CC(C)C)OC 1626a_100000731041_100000210554 [0,2,0,0,0,0|1,0,0]=3 12241 B12R0.33 CCC(CNC(=O)CC(C)C)OC 240690a_100000731041_100000210554 [0,2,0,0,0,0|1,0,0]=3 12242 B12R0.33 CCC(CNC(=O)CC(C)C)OC 527a_100000731041_100000210554 [0,2,0,0,0,0|1,0,0]=3 12243 B12R0.33 CCC(CNC(=O)CN(C)C)OC 11a_100000731041_100000750896 [0,2,0,0,0,0|2,0,0]=4 12244 B12R0.33 CCC(CNC(=O)CN(C)C)OC 240690a_100000731041_100000750896 [0,2,0,0,0,0|2,0,0]=4 12245 B12R0.33 CCC(CNC(=O)CN(C)C)OC 527a_100000731041_100000750896 [0,2,0,0,0,0|2,0,0]=4 12246 B12R0.33 CCC(CNC(=O)C[C@@H](C)O)OC 240690a_100000731041_100011933948 [0,2,0,0,0,0|2,0,0]=4 12247 B12R0.33 CCC(CNC(=O)C[S+](C)C)OC 11a_100000731041_200159257847 [0,2,0,0,0,0|2,0,0]=4 12248 B12R0.33 CCC(CNC(=O)C[S+](C)C)OC 1626a_100000731041_200159257847 [0,2,0,0,0,0|2,0,0]=4 12249 B12R0.33 CCC(CNC(=O)C[S+](C)C)OC 240690a_100000731041_200159257847 [0,2,0,0,0,0|2,0,0]=4 12250 B12R0.33 CCC(CNC(=O)C[S+](C)C)OC 527a_100000731041_200159257847 [0,2,0,0,0,0|2,0,0]=4 12251 B12R0.33 CCC(CNC(=O)NC(C)C)OC 2708a_100000731041_100138425928 [0,2,0,0,0,0|2,0,0]=4 12252 B12R0.33 CCC(CNC(=O)NC(C)C)OC 2708a_100138425928_100000731041 [0,2,0,0,0,0|2,0,0]=4 12253 B12R0.33 CCC(CNC(=O)NC(C)C)OC 273464a_100138425928_100000731041 [0,2,0,0,0,0|2,0,0]=4 12254 B12R0.33 CCC(CNC(=O)NC(C)C)OC 512a_100000731041_100138425928 [0,2,0,0,0,0|2,0,0]=4 12255 B12R0.33 CCC(CNC(=O)NC(C)C)OC 512a_100138425928_100000731041 [0,2,0,0,0,0|2,0,0]=4 12256 B12R0.33 CCC(COC(C)CC(C)C)OC 34a_100011934954_100000731052 [0,2,0,0,0,0|1,0,1]=4 12257 B12R0.33 CCC(COC(C)CC(C)C)OC 7a_100011934954_100000731052 [0,2,0,0,0,0|1,0,1]=4 12258 B12R0.33 CCN(CC)CCC(=O)CC(C)C 1458a_100000210554_100000700428 [0,2,0,0,0,0|2,0,0]=4 12259 B12R0.33 CCN(CC)CCC(=O)CC(C)C 1458a_100000750416_100000210624 [0,2,0,0,0,0|2,0,0]=4 12260 B12R0.33 CCN(CC)COC(=O)OC(C)C 269982a_100000724800_100010125566 [0,2,0,0,0,0|2,0,0]=4 12261 B12R0.33 COC(CCC(=O)CC(C)C)OC 1458a_100000210554_100000139399 [0,2,0,0,0,0|2,0,0]=4 12262 B12R0.33 COC(CCC(=O)CC(C)C)OC 1458a_200000082759_100000210624 [0,2,0,0,0,0|2,0,0]=4 12263 B12R0.33 COC(CNC(=O)CC(C)C)OC 11a_100000210479_100000210554 [0,2,0,0,0,0|2,0,0]=4 12264 B12R0.33 COC(CNC(=O)CC(C)C)OC 1626a_100000210479_100000210554 [0,2,0,0,0,0|2,0,0]=4 12265 B12R0.33 COC(CNC(=O)CC(C)C)OC 240690a_100000210479_100000210554 [0,2,0,0,0,0|2,0,0]=4 12266 B12R0.33 COC(CNC(=O)CC(C)C)OC 527a_100000210479_100000210554 [0,2,0,0,0,0|2,0,0]=4 12267 B12R0.147 C=CC(C)CC(=O)NCC(C)CC 11a_100020588543_100011934298 [0,2,0,0,0,0|1,0,1]=4 12268 B12R0.147 C=CC(C)CC(=O)NCC(C)CC 1626a_100020588543_100011934298 [0,2,0,0,0,0|1,0,1]=4 12269 B12R0.147 C=CC(C)CC(=O)NCC(C)CC 240690a_100020588543_100011934298 [0,2,0,0,0,0|1,0,1]=4 12270 B12R0.147 C=CC(C)CC(=O)NCC(C)CC 527a_100020588543_100011934298 [0,2,0,0,0,0|1,0,1]=4 12271 B12R0.147 C=CC(C)CC(=O)NCC(O)CC 11a_100011218483_100011934298 [0,2,0,0,0,0|1,0,1]=4 12272 B12R0.147 C=CC(C)CC(=O)NCC(O)CC 240690a_100011218483_100011934298 [0,2,0,0,0,0|1,0,1]=4 12273 B12R0.147 C=CC(C)CC(=O)NCC(O)CC 527a_100011218483_100011934298 [0,2,0,0,0,0|1,0,1]=4 12274 B12R0.147 CCC(C)CC(=O)CCN(C)CC 1458a_100000755305_100000748023 [0,2,0,0,0,0|2,0,0]=4 12275 B12R0.147 CCC(C)CC(=O)CCS(=O)CC 1458a_100011387550_100000748023 [0,2,0,0,0,0|2,0,0]=4 12276 B12R0.147 CCC(C)CC(=O)NCC(C)CO 240690a_100000744482_100000708755 [0,2,0,0,0,0|2,0,0]=4 12277 B12R0.147 CCC(C)CC(=O)NCC(C)CO 527a_100000744482_100000708755 [0,2,0,0,0,0|2,0,0]=4 12278 B12R0.147 CCC(C)CC(=O)NCC(O)CC 11a_100011218483_100000708755 [0,2,0,0,0,0|1,0,0]=3 12279 B12R0.147 CCC(C)CC(=O)NCC(O)CC 240690a_100011218483_100000708755 [0,2,0,0,0,0|1,0,0]=3 12280 B12R0.147 CCC(C)CC(=O)NCC(O)CC 527a_100011218483_100000708755 [0,2,0,0,0,0|1,0,0]=3 12281 B12R0.147 CCC(C)CC(=O)NC[C@@H](C)OC 11a_100020591295_100000708755 [0,2,0,0,0,0|2,0,0]=4 12282 B12R0.147 CCC(C)CC(=O)NC[C@@H](C)OC 1626a_100020591295_100000708755 [0,2,0,0,0,0|2,0,0]=4 12283 B12R0.147 CCC(C)CC(=O)NC[C@@H](C)OC 240690a_100020591295_100000708755 [0,2,0,0,0,0|2,0,0]=4 12284 B12R0.147 CCC(C)CC(=O)NC[C@@H](C)OC 527a_100020591295_100000708755 [0,2,0,0,0,0|2,0,0]=4 12285 B12R0.147 CCC(C)CC(=O)NC[C@@H](F)CO 240690a_100015665980_100000708755 [0,2,0,0,0,0|2,0,0]=4 12286 B12R0.147 CCC(C)CC(=O)NC[C@@H](F)CO 527a_100015665980_100000708755 [0,2,0,0,0,0|2,0,0]=4 12287 B12R0.147 CCC(C)CC(=O)NC[C@H](O)CO 240690a_100020644852_100000708755 [0,2,0,0,0,0|2,0,0]=4 12288 B12R0.147 CCC(C)CC(=O)NC[C@H](O)CO 527a_100020644852_100000708755 [0,2,0,0,0,0|2,0,0]=4 12289 B12R0.147 CCC(C)CC(=O)NNC(C)CC 22a_100000718999_100000708755 [0,2,0,0,0,0|2,0,0]=4 12290 B12R0.147 CCC(C)CCC(=O)CC(C)CC 1458a_100000701222_100000748023 [0,2,0,0,0,0|1,0,0]=3 12291 B12R0.147 CCC(C)CCC(=O)CC(O)CC 1458a_100000701222_100011218378 [0,2,0,0,0,0|2,0,0]=4 12292 B12R0.147 CCC(C)CCC(=O)C[C@@H](C)CC 1458a_100000701222_100009816398 [0,2,0,0,0,0|1,0,0]=3 12293 B12R0.147 CCC(C)CCC(=O)C[C@@H](C)CO 1458a_100000701222_100000059175 [0,2,0,0,0,0|1,0,0]=3 12294 B12R0.147 CCC(C)CCC(=O)NC(C)CC 11a_100000209981_100000701222 [0,2,0,0,0,0|2,0,0]=4 12295 B12R0.147 CCC(C)CCC(=O)NC(C)CC 1626a_100000209981_100000701222 [0,2,0,0,0,0|2,0,0]=4 12296 B12R0.147 CCC(C)CCC(=O)NC(C)CC 240690a_100000209981_100000701222 [0,2,0,0,0,0|2,0,0]=4 12297 B12R0.147 CCC(C)CCC(=O)NC(C)CC 527a_100000209981_100000701222 [0,2,0,0,0,0|2,0,0]=4 12298 B12R0.147 CCC(C)CCC(=O)N[C@H](C)CF 11a_100102880703_100000701222 [0,2,0,0,0,0|2,0,0]=4 12299 B12R0.147 CCC(C)CCC(=O)N[C@H](C)CF 1626a_100102880703_100000701222 [0,2,0,0,0,0|2,0,0]=4 12300 B12R0.147 CCC(C)CCC(=O)N[C@H](C)CF 240690a_100102880703_100000701222 [0,2,0,0,0,0|2,0,0]=4 12301 B12R0.147 CCC(C)CCC(=O)N[C@H](C)CF 527a_100102880703_100000701222 [0,2,0,0,0,0|2,0,0]=4 12302 B12R0.147 CCC(C)CCC(=O)N[C@H](C)CO 240690a_100000737577_100000701222 [0,2,0,0,0,0|2,0,0]=4 12303 B12R0.147 CCC(C)CCC(=O)N[C@H](C)CO 527a_100000737577_100000701222 [0,2,0,0,0,0|2,0,0]=4 12304 B12R0.147 CCC(C)CNC(=O)CC(C)CC 11a_100020588543_100000708755 [0,2,0,0,0,0|1,0,0]=3 12305 B12R0.147 CCC(C)CNC(=O)CC(C)CC 1626a_100020588543_100000708755 [0,2,0,0,0,0|1,0,0]=3 12306 B12R0.147 CCC(C)CNC(=O)CC(C)CC 240690a_100020588543_100000708755 [0,2,0,0,0,0|1,0,0]=3 12307 B12R0.147 CCC(C)CNC(=O)CC(C)CC 527a_100020588543_100000708755 [0,2,0,0,0,0|1,0,0]=3 12308 B12R0.147 CCC(C)CNC(=O)CC(O)CC 1626a_100020588543_100011667805 [0,2,0,0,0,0|2,0,0]=4 12309 B12R0.147 CCC(C)CNC(=O)CC(O)CC 240690a_100020588543_100011667805 [0,2,0,0,0,0|2,0,0]=4 12310 B12R0.147 CCC(C)CNC(=O)CN(C)CC 240690a_100020588543_100116209913 [0,2,0,0,0,0|2,0,0]=4 12311 B12R0.147 CCC(C)CNC(=O)CN(C)CC 527a_100020588543_100116209913 [0,2,0,0,0,0|2,0,0]=4 12312 B12R0.147 CCC(C)CNC(=O)NC(C)CC 2708a_100000209981_100020588543 [0,2,0,0,0,0|2,0,0]=4 12313 B12R0.147 CCC(C)CNC(=O)NC(C)CC 2708a_100020588543_100000209981 [0,2,0,0,0,0|2,0,0]=4 12314 B12R0.147 CCC(C)CNC(=O)NC(C)CC 273464a_100000209981_100020588543 [0,2,0,0,0,0|2,0,0]=4 12315 B12R0.147 CCC(C)CNC(=O)NC(C)CC 273464a_100020588543_100000209981 [0,2,0,0,0,0|2,0,0]=4 12316 B12R0.147 CCC(C)CNC(=O)NC(C)CC 512a_100000209981_100020588543 [0,2,0,0,0,0|2,0,0]=4 12317 B12R0.147 CCC(C)CNC(=O)NC(C)CC 512a_100020588543_100000209981 [0,2,0,0,0,0|2,0,0]=4 12318 B12R0.147 CCC(C)CNC(=O)N[C@H](C)CF 2708a_100020588543_100102880703 [0,2,0,0,0,0|2,0,0]=4 12319 B12R0.147 CCC(C)CNC(=O)N[C@H](C)CF 273464a_100020588543_100102880703 [0,2,0,0,0,0|2,0,0]=4 12320 B12R0.147 CCC(C)CNC(=O)N[C@H](C)CF 273464a_100102880703_100020588543 [0,2,0,0,0,0|2,0,0]=4 12321 B12R0.147 CCC(C)CNC(=O)N[C@H](C)CF 512a_100020588543_100102880703 [0,2,0,0,0,0|2,0,0]=4 12322 B12R0.147 CCC(C)CNC(=O)N[C@H](C)CF 512a_100102880703_100020588543 [0,2,0,0,0,0|2,0,0]=4 12323 B12R0.147 CCC(C)CNC(=O)N[C@H](C)CO 2708a_100020588543_100000737577 [0,2,0,0,0,0|2,0,0]=4 12324 B12R0.147 CCC(C)CNC(=O)N[C@H](C)CO 273464a_100000737577_100020588543 [0,2,0,0,0,0|2,0,0]=4 12325 B12R0.147 CCC(C)CNC(=O)N[C@H](C)CO 512a_100000737577_100020588543 [0,2,0,0,0,0|2,0,0]=4 12326 B12R0.147 CCC(C)CNC(=O)N[C@H](C)CO 512a_100020588543_100000737577 [0,2,0,0,0,0|2,0,0]=4 12327 B12R0.147 CCC(O)CCC(=O)NC(C)CC 1626a_100000209981_203496584001 [0,2,0,0,0,0|2,0,0]=4 12328 B12R0.147 CCC(O)CCC(=O)NC(C)CC 240690a_100000209981_203496584001 [0,2,0,0,0,0|2,0,0]=4 12329 B12R0.147 CCC(O)CCC(=O)N[C@H](C)CF 1626a_100102880703_203496584001 [0,2,0,0,0,0|2,0,0]=4 12330 B12R0.147 CCC(O)CCC(=O)N[C@H](C)CF 240690a_100102880703_203496584001 [0,2,0,0,0,0|2,0,0]=4 12331 B12R0.147 CCC(O)CCC(=O)N[C@H](C)CO 240690a_100000737577_203496584001 [0,2,0,0,0,0|2,0,0]=4 12332 B12R0.147 CCC(O)CNC(=O)CC(O)CC 240690a_100011218483_100011667805 [0,2,0,0,0,0|2,0,0]=4 12333 B12R0.147 CCC(O)CNC(=O)CN(C)CC 240690a_100011218483_100116209913 [0,2,0,0,0,0|2,0,0]=4 12334 B12R0.147 CCC(O)CNC(=O)CN(C)CC 527a_100011218483_100116209913 [0,2,0,0,0,0|2,0,0]=4 12335 B12R0.147 CCC(O)CNC(=O)NC(C)CC 2708a_100000209981_100011218483 [0,2,0,0,0,0|2,0,0]=4 12336 B12R0.147 CCC(O)CNC(=O)NC(C)CC 273464a_100000209981_100011218483 [0,2,0,0,0,0|2,0,0]=4 12337 B12R0.147 CCC(O)CNC(=O)NC(C)CC 273464a_100011218483_100000209981 [0,2,0,0,0,0|2,0,0]=4 12338 B12R0.147 CCC(O)CNC(=O)NC(C)CC 512a_100011218483_100000209981 [0,2,0,0,0,0|2,0,0]=4 12339 B12R0.147 CCC(O)CNC(=O)N[C@H](C)CF 273464a_100011218483_100102880703 [0,2,0,0,0,0|2,0,0]=4 12340 B12R0.147 CCC(O)CNC(=O)N[C@H](C)CF 273464a_100102880703_100011218483 [0,2,0,0,0,0|2,0,0]=4 12341 B12R0.147 CCC(O)CNC(=O)N[C@H](C)CF 512a_100011218483_100102880703 [0,2,0,0,0,0|2,0,0]=4 12342 B12R0.147 CCC(O)CNC(=O)N[C@H](C)CO 273464a_100000737577_100011218483 [0,2,0,0,0,0|2,0,0]=4 12343 B12R0.147 CCC(O)CNC(=O)N[C@H](C)CO 512a_100011218483_100000737577 [0,2,0,0,0,0|2,0,0]=4 12344 B12R0.147 CCN(C)CCC(=O)C[C@@H](C)CO 1458a_100000755305_100000059175 [0,2,0,0,0,0|2,0,0]=4 12345 B12R0.147 CCS(=O)CCC(=O)C[C@@H](C)CO 1458a_100011387550_100000059175 [0,2,0,0,0,0|2,0,0]=4 12346 B12R0.147 CC[C@H](C)CC(=O)CCN(C)CC 1458a_100000755305_100009816398 [0,2,0,0,0,0|2,0,0]=4 12347 B12R0.147 CC[C@H](C)CC(=O)CCS(=O)CC 1458a_100011387550_100009816398 [0,2,0,0,0,0|2,0,0]=4 12348 B12R0.155 CC(C)(C)CC(=O)NC[C@@H](F)CO 240690a_100015665980_100000211214 [0,2,0,0,0,0|2,0,0]=4 12349 B12R0.155 CC(C)(C)CC(=O)NC[C@@H](F)CO 527a_100015665980_100000211214 [0,2,0,0,0,0|2,0,0]=4 12350 B12R0.155 CC(C)(C)CC(=O)NC[C@H](O)CO 240690a_100020644852_100000211214 [0,2,0,0,0,0|2,0,0]=4 12351 B12R0.155 CC(C)(C)CC(=O)NC[C@H](O)CO 527a_100020644852_100000211214 [0,2,0,0,0,0|2,0,0]=4 12352 B12R0.155 CC(C)(C)CC(=O)OCC(=O)CO 1458a_100000210174_200010999194 [0,2,0,0,0,0|1,0,1]=4 12353 B12R0.155 CC(C)(O)CC(=O)NC[C@@H](F)CO 527a_100015665980_100000693243 [0,2,0,0,0,0|2,0,0]=4 12354 B12R0.155 CC(C)(O)CC(=O)NC[C@H](O)CO 527a_100020644852_100000693243 [0,2,0,0,0,0|2,0,0]=4 12355 B12R0.155 CC(CO)CNC(=O)CC(C)(C)C 240690a_100000744482_100000211214 [0,2,0,0,0,0|2,0,0]=4 12356 B12R0.155 CC(CO)CNC(=O)CC(C)(C)C 527a_100000744482_100000211214 [0,2,0,0,0,0|2,0,0]=4 12357 B12R0.155 CC(CO)CNC(=O)CC(C)(C)O 527a_100000744482_100000693243 [0,2,0,0,0,0|2,0,0]=4 12358 B12R0.155 CCC(=O)CNC(=O)CC(C)(C)C 1458a_100000744057_100000210202 [0,2,0,0,0,0|1,0,1]=4 12359 B12R0.155 CCC(=O)COC(=O)CC(C)(C)C 1458a_100000210414_200010999194 [0,2,0,0,0,0|0,0,1]=3 12360 B12R0.155 CCC(C)CCC(=O)C[Si](C)(C)C 1458a_100000701222_100000233785 [0,2,0,0,0,0|1,1,0]=4 12361 B12R0.155 CCC(C)CCC(=O)NC(C)(C)C 11a_100000715429_100000701222 [0,2,0,0,0,0|2,0,0]=4 12362 B12R0.155 CCC(C)CCC(=O)NC(C)(C)C 1626a_100000715429_100000701222 [0,2,0,0,0,0|2,0,0]=4 12363 B12R0.155 CCC(C)CCC(=O)NC(C)(C)C 240690a_100000715429_100000701222 [0,2,0,0,0,0|2,0,0]=4 12364 B12R0.155 CCC(C)CCC(=O)NC(C)(C)C 527a_100000715429_100000701222 [0,2,0,0,0,0|2,0,0]=4 12365 B12R0.155 CCC(C)CNC(=O)CC(C)(C)C 11a_100020588543_100000211214 [0,2,0,0,0,0|1,0,0]=3 12366 B12R0.155 CCC(C)CNC(=O)CC(C)(C)C 1626a_100020588543_100000211214 [0,2,0,0,0,0|1,0,0]=3 12367 B12R0.155 CCC(C)CNC(=O)CC(C)(C)C 240690a_100020588543_100000211214 [0,2,0,0,0,0|1,0,0]=3 12368 B12R0.155 CCC(C)CNC(=O)CC(C)(C)C 527a_100020588543_100000211214 [0,2,0,0,0,0|1,0,0]=3 12369 B12R0.155 CCC(C)CNC(=O)CC(C)(C)O 527a_100020588543_100000693243 [0,2,0,0,0,0|1,0,0]=3 12370 B12R0.155 CCC(C)CNC(=O)C[N+](C)(C)C 11a_100020588543_100000033712 [0,2,0,0,0,0|2,0,0]=4 12371 B12R0.155 CCC(C)CNC(=O)C[N+](C)(C)C 1626a_100020588543_100000033712 [0,2,0,0,0,0|2,0,0]=4 12372 B12R0.155 CCC(C)CNC(=O)C[N+](C)(C)C 240690a_100020588543_100000033712 [0,2,0,0,0,0|2,0,0]=4 12373 B12R0.155 CCC(C)CNC(=O)C[N+](C)(C)C 527a_100020588543_100000033712 [0,2,0,0,0,0|2,0,0]=4 12374 B12R0.155 CCC(C)CNC(=O)C[Si](C)(C)C 11a_100020588543_100011218504 [0,2,0,0,0,0|1,1,0]=4 12375 B12R0.155 CCC(C)CNC(=O)C[Si](C)(C)C 1626a_100020588543_100011218504 [0,2,0,0,0,0|1,1,0]=4 12376 B12R0.155 CCC(C)CNC(=O)NC(C)(C)C 2708a_100020588543_100000715429 [0,2,0,0,0,0|2,0,0]=4 12377 B12R0.155 CCC(C)CNC(=O)NC(C)(C)C 273464a_100000715429_100020588543 [0,2,0,0,0,0|2,0,0]=4 12378 B12R0.155 CCC(C)CNC(=O)NC(C)(C)C 273464a_100020588543_100000715429 [0,2,0,0,0,0|2,0,0]=4 12379 B12R0.155 CCC(C)CNC(=O)NC(C)(C)C 512a_100000715429_100020588543 [0,2,0,0,0,0|2,0,0]=4 12380 B12R0.155 CCC(C)COC(C)CC(C)(C)C 7a_200011218616_100000748023 [0,2,0,0,0,0|1,0,1]=4 12381 B12R0.155 CCC(C)NNC(=O)CC(C)(C)C 22a_100000718999_100000211214 [0,2,0,0,0,0|2,0,0]=4 12382 B12R0.155 CCC(C)NNC(=O)CC(C)(C)O 22a_100000718999_100000693243 [0,2,0,0,0,0|2,0,0]=4 12383 B12R0.155 CCC(O)CCC(=O)NC(C)(C)C 1626a_100000715429_203496584001 [0,2,0,0,0,0|2,0,0]=4 12384 B12R0.155 CCC(O)CCC(=O)NC(C)(C)C 240690a_100000715429_203496584001 [0,2,0,0,0,0|2,0,0]=4 12385 B12R0.155 CCC(O)CNC(=O)CC(C)(C)C 11a_100011218483_100000211214 [0,2,0,0,0,0|1,0,0]=3 12386 B12R0.155 CCC(O)CNC(=O)CC(C)(C)C 240690a_100011218483_100000211214 [0,2,0,0,0,0|1,0,0]=3 12387 B12R0.155 CCC(O)CNC(=O)CC(C)(C)C 527a_100011218483_100000211214 [0,2,0,0,0,0|1,0,0]=3 12388 B12R0.155 CCC(O)CNC(=O)CC(C)(C)O 527a_100011218483_100000693243 [0,2,0,0,0,0|1,0,0]=3 12389 B12R0.155 CCC(O)CNC(=O)C[N+](C)(C)C 11a_100011218483_100000033712 [0,2,0,0,0,0|2,0,0]=4 12390 B12R0.155 CCC(O)CNC(=O)C[N+](C)(C)C 240690a_100011218483_100000033712 [0,2,0,0,0,0|2,0,0]=4 12391 B12R0.155 CCC(O)CNC(=O)C[N+](C)(C)C 527a_100011218483_100000033712 [0,2,0,0,0,0|2,0,0]=4 12392 B12R0.155 CCC(O)CNC(=O)C[Si](C)(C)C 11a_100011218483_100011218504 [0,2,0,0,0,0|1,1,0]=4 12393 B12R0.155 CCC(O)CNC(=O)NC(C)(C)C 273464a_100000715429_100011218483 [0,2,0,0,0,0|2,0,0]=4 12394 B12R0.155 CCC(O)CNC(=O)NC(C)(C)C 273464a_100011218483_100000715429 [0,2,0,0,0,0|2,0,0]=4 12395 B12R0.155 CCC(O)COC(C)CC(C)(C)C 7a_200011218616_100011218378 [0,2,0,0,0,0|1,0,1]=4 12396 B12R0.155 CCN(C)COC(=O)CC(C)(C)C 2230a_100000225621_200010999194 [0,2,0,0,0,0|1,0,0]=3 12397 B12R0.155 CCN(C)COC(=O)CC(C)(C)C 269982a_100000225621_200010999194 [0,2,0,0,0,0|1,0,0]=3 12398 B12R0.155 CC[C@H](C)COC(C)CC(C)(C)C 7a_200011218616_100009816398 [0,2,0,0,0,0|1,0,1]=4 12399 B12R0.155 CO[C@H](C)CNC(=O)CC(C)(C)C 11a_100020591295_100000211214 [0,2,0,0,0,0|2,0,0]=4 12400 B12R0.155 CO[C@H](C)CNC(=O)CC(C)(C)C 1626a_100020591295_100000211214 [0,2,0,0,0,0|2,0,0]=4 12401 B12R0.155 CO[C@H](C)CNC(=O)CC(C)(C)C 240690a_100020591295_100000211214 [0,2,0,0,0,0|2,0,0]=4 12402 B12R0.155 CO[C@H](C)CNC(=O)CC(C)(C)C 527a_100020591295_100000211214 [0,2,0,0,0,0|2,0,0]=4 12403 B12R0.155 CO[C@H](C)CNC(=O)CC(C)(C)O 527a_100020591295_100000693243 [0,2,0,0,0,0|2,0,0]=4 12404 B12R0.207 CC(C)CC(=O)NCC(C)(C)CO 240690a_100020635058_100000210554 [0,2,0,0,0,0|2,0,0]=4 12405 B12R0.207 CC(C)CC(=O)NCC(C)(C)CO 527a_100020635058_100000210554 [0,2,0,0,0,0|2,0,0]=4 12406 B12R0.207 CC(C)CC(=O)NCC(F)(F)CO 240690a_100000703232_100000210554 [0,2,0,0,0,0|2,0,0]=4 12407 B12R0.207 CC(C)CC(=O)NCC(F)(F)CO 527a_100000703232_100000210554 [0,2,0,0,0,0|2,0,0]=4 12408 B12R0.207 CCC(C)(C)COC(C)CC(C)C 7a_100000765029_100000731052 [0,2,0,0,0,0|1,0,1]=4 12409 B12R0.207 CCS(=O)(=O)CCC(=O)CC(C)C 1458a_100000210554_100000756660 [0,2,0,0,0,0|2,0,0]=4 12410 B12R0.207 COC(C)(C)CNC(=O)CC(C)C 11a_100000763424_100000210554 [0,2,0,0,0,0|2,0,0]=4 12411 B12R0.207 COC(C)(C)CNC(=O)CC(C)C 1626a_100000763424_100000210554 [0,2,0,0,0,0|2,0,0]=4 12412 B12R0.207 COC(C)(C)CNC(=O)CC(C)C 240690a_100000763424_100000210554 [0,2,0,0,0,0|2,0,0]=4 12413 B12R0.207 COC(C)(C)CNC(=O)CC(C)C 527a_100000763424_100000210554 [0,2,0,0,0,0|2,0,0]=4 12414 B12R0.346 CC(C)C(C)C(=O)NC[C@@H](F)CO 240690a_100015665980_100000755409 [0,2,0,0,0,0|2,0,0]=4 12415 B12R0.346 CC(C)C(C)C(=O)NC[C@@H](F)CO 527a_100015665980_100000755409 [0,2,0,0,0,0|2,0,0]=4 12416 B12R0.346 CC(C)C(C)C(=O)NC[C@H](O)CO 240690a_100020644852_100000755409 [0,2,0,0,0,0|2,0,0]=4 12417 B12R0.346 CC(C)C(C)C(=O)NC[C@H](O)CO 527a_100020644852_100000755409 [0,2,0,0,0,0|2,0,0]=4 12418 B12R0.346 CC(C)[C@@H](O)C(=O)NC[C@@H](F)CO 240690a_100015665980_100000691806 [0,2,0,0,0,0|2,0,0]=4 12419 B12R0.346 CC(C)[C@@H](O)C(=O)NC[C@H](O)CO 240690a_100020644852_100000691806 [0,2,0,0,0,0|2,0,0]=4 12420 B12R0.346 CC(CO)CNC(=O)C(C)C(C)C 240690a_100000744482_100000755409 [0,2,0,0,0,0|2,0,0]=4 12421 B12R0.346 CC(CO)CNC(=O)C(C)C(C)C 527a_100000744482_100000755409 [0,2,0,0,0,0|2,0,0]=4 12422 B12R0.346 CC(CO)CNC(=O)[C@H](O)C(C)C 240690a_100000744482_100000691806 [0,2,0,0,0,0|2,0,0]=4 12423 B12R0.346 CCC(C)CCC(=O)N(C)C(C)C 11a_200000211004_100000701222 [0,2,0,0,0,0|2,0,0]=4 12424 B12R0.346 CCC(C)CCC(=O)N(C)C(C)C 1626a_200000211004_100000701222 [0,2,0,0,0,0|2,0,0]=4 12425 B12R0.346 CCC(C)CCC(=O)N(C)C(C)C 240690a_200000211004_100000701222 [0,2,0,0,0,0|2,0,0]=4 12426 B12R0.346 CCC(C)CCC(=O)N(C)C(C)C 527a_200000211004_100000701222 [0,2,0,0,0,0|2,0,0]=4 12427 B12R0.346 CCC(C)CNC(=O)C(C)C(C)C 11a_100020588543_100000755409 [0,2,0,0,0,0|1,0,0]=3 12428 B12R0.346 CCC(C)CNC(=O)C(C)C(C)C 1626a_100020588543_100000755409 [0,2,0,0,0,0|1,0,0]=3 12429 B12R0.346 CCC(C)CNC(=O)C(C)C(C)C 240690a_100020588543_100000755409 [0,2,0,0,0,0|1,0,0]=3 12430 B12R0.346 CCC(C)CNC(=O)C(C)C(C)C 527a_100020588543_100000755409 [0,2,0,0,0,0|1,0,0]=3 12431 B12R0.346 CCC(C)CNC(=O)N(C)C(C)C 2708a_100020588543_200000211004 [0,2,0,0,0,0|2,0,0]=4 12432 B12R0.346 CCC(C)CNC(=O)N(C)C(C)C 273464a_100020588543_200000211004 [0,2,0,0,0,0|2,0,0]=4 12433 B12R0.346 CCC(C)CNC(=O)[C@H](C)N(C)C 240690a_100020588543_100009822176 [0,2,0,0,0,0|2,0,0]=4 12434 B12R0.346 CCC(C)CNC(=O)[C@H](C)N(C)C 527a_100020588543_100009822176 [0,2,0,0,0,0|2,0,0]=4 12435 B12R0.346 CCC(C)CNC(=O)[C@H](O)C(C)C 240690a_100020588543_100000691806 [0,2,0,0,0,0|1,0,0]=3 12436 B12R0.346 CCC(C)NNC(=O)C(C)C(C)C 22a_100000718999_100000755409 [0,2,0,0,0,0|2,0,0]=4 12437 B12R0.346 CCC(C)NNC(=O)[C@H](O)C(C)C 22a_100000718999_100000691806 [0,2,0,0,0,0|2,0,0]=4 12438 B12R0.346 CCC(O)CCC(=O)N(C)C(C)C 1626a_200000211004_203496584001 [0,2,0,0,0,0|2,0,0]=4 12439 B12R0.346 CCC(O)CCC(=O)N(C)C(C)C 240690a_200000211004_203496584001 [0,2,0,0,0,0|2,0,0]=4 12440 B12R0.346 CCC(O)CNC(=O)C(C)C(C)C 11a_100011218483_100000755409 [0,2,0,0,0,0|1,0,0]=3 12441 B12R0.346 CCC(O)CNC(=O)C(C)C(C)C 240690a_100011218483_100000755409 [0,2,0,0,0,0|1,0,0]=3 12442 B12R0.346 CCC(O)CNC(=O)C(C)C(C)C 527a_100011218483_100000755409 [0,2,0,0,0,0|1,0,0]=3 12443 B12R0.346 CCC(O)CNC(=O)N(C)C(C)C 273464a_100011218483_200000211004 [0,2,0,0,0,0|2,0,0]=4 12444 B12R0.346 CCC(O)CNC(=O)[C@H](C)N(C)C 240690a_100011218483_100009822176 [0,2,0,0,0,0|2,0,0]=4 12445 B12R0.346 CCC(O)CNC(=O)[C@H](C)N(C)C 527a_100011218483_100009822176 [0,2,0,0,0,0|2,0,0]=4 12446 B12R0.346 CCC(O)CNC(=O)[C@H](O)C(C)C 240690a_100011218483_100000691806 [0,2,0,0,0,0|1,0,0]=3 12447 B12R0.346 CO[C@H](C)CNC(=O)C(C)C(C)C 11a_100020591295_100000755409 [0,2,0,0,0,0|2,0,0]=4 12448 B12R0.346 CO[C@H](C)CNC(=O)C(C)C(C)C 1626a_100020591295_100000755409 [0,2,0,0,0,0|2,0,0]=4 12449 B12R0.346 CO[C@H](C)CNC(=O)C(C)C(C)C 240690a_100020591295_100000755409 [0,2,0,0,0,0|2,0,0]=4 12450 B12R0.346 CO[C@H](C)CNC(=O)C(C)C(C)C 527a_100020591295_100000755409 [0,2,0,0,0,0|2,0,0]=4 12451 B12R0.346 CO[C@H](C)CNC(=O)[C@H](O)C(C)C 240690a_100020591295_100000691806 [0,2,0,0,0,0|2,0,0]=4 12452 B12R0.505 CCC(C)CNS(=O)(=O)CC(C)C 270084a_100020588543_100000748289 [0,2,0,0,0,0|2,0,0]=4 12453 B12R0.505 CCC(C)CNS(=O)(=O)CC(C)C 274078a_100020588543_100000748289 [0,2,0,0,0,0|2,0,0]=4 12454 B12R0.505 CCC(O)CNS(=O)(=O)CC(C)C 270084a_100011218483_100000748289 [0,2,0,0,0,0|2,0,0]=4 12455 B12R0.505 CCC(O)CNS(=O)(=O)CC(C)C 274078a_100011218483_100000748289 [0,2,0,0,0,0|2,0,0]=4 12456 B12R0.108 CCCCCC(=O)C(CC)N(C)C 1458a_100000689100_100000210326 [0,2,0,0,0,0|2,0,0]=4 12457 B12R0.108 CCCCCC(=O)N(CC)C(C)C 11a_100000223864_100000212188 [0,2,0,0,0,0|2,0,0]=4 12458 B12R0.108 CCCCCC(=O)N(CC)C(C)C 1626a_100000223864_100000212188 [0,2,0,0,0,0|2,0,0]=4 12459 B12R0.108 CCCCCC(=O)N(CC)C(C)C 240690a_100000223864_100000212188 [0,2,0,0,0,0|2,0,0]=4 12460 B12R0.108 CCCCCC(=O)N(CC)C(C)C 527a_100000223864_100000212188 [0,2,0,0,0,0|2,0,0]=4 12461 B12R0.108 CCCCNC(=O)C(CC)N(C)C 2230a_100102631434_200011763471 [0,2,0,0,0,0|2,0,0]=4 12462 B12R0.108 CCCCNC(=O)C(CC)N(C)C 240690a_100000102301_100000689100 [0,2,0,0,0,0|2,0,0]=4 12463 B12R0.108 CCCCNC(=O)C(CC)N(C)C 269982a_100102631434_200011763471 [0,2,0,0,0,0|2,0,0]=4 12464 B12R0.108 CCCCNC(=O)C(CC)N(C)C 527a_100000102301_100000689100 [0,2,0,0,0,0|2,0,0]=4 12465 B12R0.108 CCCCNC(=O)N(CC)C(C)C 2708a_100000102301_100000223864 [0,2,0,0,0,0|2,0,0]=4 12466 B12R0.108 CCCCNC(=O)N(CC)C(C)C 273464a_100000102301_100000223864 [0,2,0,0,0,0|2,0,0]=4 12467 B12R0.110 CCCCCC(=O)C(C)N(C)CC 1458a_100011281945_100000210326 [0,2,0,0,0,0|2,0,0]=4 12468 B12R0.110 CCCCCC(=O)N(C)C(C)CC 11a_100000741768_100000212188 [0,2,0,0,0,0|2,0,0]=4 12469 B12R0.110 CCCCCC(=O)N(C)C(C)CC 1626a_100000741768_100000212188 [0,2,0,0,0,0|2,0,0]=4 12470 B12R0.110 CCCCCC(=O)N(C)C(C)CC 240690a_100000741768_100000212188 [0,2,0,0,0,0|2,0,0]=4 12471 B12R0.110 CCCCCC(=O)N(C)C(C)CC 527a_100000741768_100000212188 [0,2,0,0,0,0|2,0,0]=4 12472 B12R0.110 CCCCCC(=O)N(C)C(C)CO 240690a_100000693034_100000212188 [0,2,0,0,0,0|2,0,0]=4 12473 B12R0.110 CCCCCC(=O)N(C)C(C)CO 527a_100000693034_100000212188 [0,2,0,0,0,0|2,0,0]=4 12474 B12R0.110 CCCCCC(=O)[C@H](O)[C@H](O)CO 1458a_100015448053_100000210326 [0,2,0,0,0,0|2,0,0]=4 12475 B12R0.110 CCCCNC(=O)C(C)N(C)CC 2230a_100000225621_100000735917 [0,2,0,0,0,0|2,0,0]=4 12476 B12R0.110 CCCCNC(=O)C(C)N(C)CC 240690a_100000102301_100011281945 [0,2,0,0,0,0|2,0,0]=4 12477 B12R0.110 CCCCNC(=O)C(C)N(C)CC 269982a_100000225621_100000735917 [0,2,0,0,0,0|2,0,0]=4 12478 B12R0.110 CCCCNC(=O)C(C)N(C)CC 527a_100000102301_100011281945 [0,2,0,0,0,0|2,0,0]=4 12479 B12R0.110 CCCCNC(=O)N(C)C(C)CC 2708a_100000102301_100000741768 [0,2,0,0,0,0|2,0,0]=4 12480 B12R0.110 CCCCNC(=O)N(C)C(C)CC 273464a_100000102301_100000741768 [0,2,0,0,0,0|2,0,0]=4 12481 B12R0.110 CCCCNC(=O)N(C)C(C)CO 2708a_100000102301_100000693034 [0,2,0,0,0,0|2,0,0]=4 12482 B12R0.110 CCCCNC(=O)[C@H](O)[C@H](O)CO 240690a_100000102301_100015448053 [0,2,0,0,0,0|2,0,0]=4 12483 B12R0.110 CCCCOC(=O)C(C)C(=O)CC 1458a_100000210414_100000759602 [0,2,0,0,0,0|1,0,1]=4 12484 B12R0.110 CCCCOC(=O)C(C)C(=O)CO 1458a_100000210174_100000759602 [0,2,0,0,0,0|1,0,1]=4 12485 B12R0.110 CCCCOC(=O)C(C)N(C)CC 2230a_100000225621_100000759602 [0,2,0,0,0,0|1,0,0]=3 12486 B12R0.110 CCCCOC(=O)C(C)N(C)CC 269982a_100000225621_100000759602 [0,2,0,0,0,0|1,0,0]=3 12487 B12R0.110 CCCCOC(C)C(C)C(C)CC 7a_200011290770_100000210211 [0,2,0,0,0,0|1,0,1]=4 12488 B12R0.143 CC(C)(C)[C@H](O)C(=O)CCCCF 1458a_100009816492_100000729493 [0,2,0,0,0,0|2,0,0]=4 12489 B12R0.143 CC(C)(C)[C@H](O)C(=O)CCCCO 1458a_100009816492_100000210776 [0,2,0,0,0,0|2,0,0]=4 12490 B12R0.143 CC(C)(C)[C@H](O)C(=O)NCCCF 240690a_100015189416_100009816492 [0,2,0,0,0,0|2,0,0]=4 12491 B12R0.143 CC(C)(C)[C@H](O)C(=O)NCCCO 240690a_100000182051_100009816492 [0,2,0,0,0,0|2,0,0]=4 12492 B12R0.143 CCCCCC(=O)N(C)C(C)(C)C 11a_100011215553_100000212188 [0,2,0,0,0,0|2,0,0]=4 12493 B12R0.143 CCCCCC(=O)N(C)C(C)(C)C 1626a_100011215553_100000212188 [0,2,0,0,0,0|2,0,0]=4 12494 B12R0.143 CCCCCC(=O)N(C)C(C)(C)C 240690a_100011215553_100000212188 [0,2,0,0,0,0|2,0,0]=4 12495 B12R0.143 CCCCCC(=O)[C@@H](O)C(C)(C)C 1458a_100009816492_100000210326 [0,2,0,0,0,0|1,0,0]=3 12496 B12R0.143 CCCCNC(=O)N(C)C(C)(C)C 2708a_100000102301_100011215553 [0,2,0,0,0,0|2,0,0]=4 12497 B12R0.143 CCCCNC(=O)N(C)C(C)(C)C 273464a_100000102301_100011215553 [0,2,0,0,0,0|2,0,0]=4 12498 B12R0.143 CCCCNC(=O)[C@@H](O)C(C)(C)C 240690a_100000102301_100009816492 [0,2,0,0,0,0|1,0,0]=3 12499 B12R0.143 CCCNNC(=O)[C@@H](O)C(C)(C)C 22a_100000740057_100009816492 [0,2,0,0,0,0|2,0,0]=4 12500 B12R0.143 CCOCCC(=O)[C@@H](O)C(C)(C)C 1458a_100009816492_100011215890 [0,2,0,0,0,0|2,0,0]=4 12501 B12R0.143 CCSCCC(=O)[C@@H](O)C(C)(C)C 1458a_100009816492_100000757381 [0,2,0,0,0,0|2,0,0]=4 12502 B12R0.143 COCCCC(=O)[C@@H](O)C(C)(C)C 1458a_100009816492_100000740836 [0,2,0,0,0,0|2,0,0]=4 12503 B12R0.143 COCCNC(=O)[C@@H](O)C(C)(C)C 240690a_100000209980_100009816492 [0,2,0,0,0,0|2,0,0]=4 12504 B12R0.143 CSCCNC(=O)[C@@H](O)C(C)(C)C 240690a_100020590264_100009816492 [0,2,0,0,0,0|2,0,0]=4 12505 B12R0.145 CCCCCC(=O)C(C)(C)N(C)C 1458a_100000688961_100000210326 [0,2,0,0,0,0|2,0,0]=4 12506 B12R0.145 CCCCNC(=O)C(C)(C)N(C)C 1626a_100000102301_100000688961 [0,2,0,0,0,0|2,0,0]=4 12507 B12R0.145 CCCCNC(=O)C(C)(C)N(C)C 240690a_100000102301_100000688961 [0,2,0,0,0,0|2,0,0]=4 12508 B12R0.145 CCCCNC(=O)C(C)(C)N(C)C 527a_100000102301_100000688961 [0,2,0,0,0,0|2,0,0]=4 12509 B12R0.644 CCCCNS(=O)(=O)C(C)C(C)C 270084a_100000102301_100000765091 [0,2,0,0,0,0|2,0,0]=4 12510 B12R0.644 CCCCNS(=O)(=O)C(C)C(C)C 274078a_100000102301_100000765091 [0,2,0,0,0,0|2,0,0]=4 12511 B12R0.144 CCC(CC)CC(=O)CCCCO 1458a_100000695505_100011215472 [0,2,0,0,0,0|2,0,0]=4 12512 B12R0.144 CCC(CC)CC(=O)CCCOC 1458a_100000741012_100011215472 [0,2,0,0,0,0|2,0,0]=4 12513 B12R0.144 CCC(CC)CC(=O)CCCSC 1458a_100000173376_100011215472 [0,2,0,0,0,0|2,0,0]=4 12514 B12R0.144 CCCC#CC(=O)CC(CC)CC 1458a_200011218047_100011215472 [0,2,0,0,0,0|1,0,1]=4 12515 B12R0.144 CCCC#CC(=O)CC(OC)OC 1458a_200011218047_100000751394 [0,2,0,0,0,0|1,0,1]=4 12516 B12R0.144 CCCC=CC(=O)CC(CC)CC 1458a_100000212230_100011215472 [0,2,0,0,0,0|1,0,1]=4 12517 B12R0.144 CCCC=CC(=O)CC(OC)OC 1458a_100000212230_100000751394 [0,2,0,0,0,0|1,0,1]=4 12518 B12R0.144 CCCCCC(=O)CC(CC)CC 1458a_100000212188_100011215472 [0,2,0,0,0,0|1,0,0]=3 12519 B12R0.144 CCCCCC(=O)CC(OC)OC 1458a_100000082724_100000210326 [0,2,0,0,0,0|1,0,0]=3 12520 B12R0.144 CCCCCC(=O)CC(OC)OC 1458a_100000212188_100000751394 [0,2,0,0,0,0|1,0,0]=3 12521 B12R0.144 CCCCCC(=O)CN(CC)CC 1458a_100000758533_100000210326 [0,2,0,0,0,0|2,0,0]=4 12522 B12R0.144 CCCCCC(=O)CN(CC)CC 2230a_100000724800_200012276598 [0,2,0,0,0,0|2,0,0]=4 12523 B12R0.144 CCCCCC(=O)CN(CC)CC 269956a_100000042499_200012276598 [0,2,0,0,0,0|2,0,0]=4 12524 B12R0.144 CCCCCC(=O)CN(CC)CC 269982a_100000724800_200012276598 [0,2,0,0,0,0|2,0,0]=4 12525 B12R0.144 CCCCCC(=O)NC(CC)CC 11a_100000199018_100000212188 [0,2,0,0,0,0|2,0,0]=4 12526 B12R0.144 CCCCCC(=O)NC(CC)CC 1626a_100000199018_100000212188 [0,2,0,0,0,0|2,0,0]=4 12527 B12R0.144 CCCCCC(=O)NC(CC)CC 240690a_100000199018_100000212188 [0,2,0,0,0,0|2,0,0]=4 12528 B12R0.144 CCCCCC(=O)NC(CC)CC 527a_100000199018_100000212188 [0,2,0,0,0,0|2,0,0]=4 12529 B12R0.144 CCCCCC(=O)NC(CO)CO 240690a_100000759517_100000212188 [0,2,0,0,0,0|2,0,0]=4 12530 B12R0.144 CCCCCC(=O)NC(CO)CO 527a_100000759517_100000212188 [0,2,0,0,0,0|2,0,0]=4 12531 B12R0.144 CCCCCC(=O)N[C@@H](CC)CO 240690a_100000709445_100000212188 [0,2,0,0,0,0|2,0,0]=4 12532 B12R0.144 CCCCCC(=O)N[C@@H](CC)CO 527a_100000709445_100000212188 [0,2,0,0,0,0|2,0,0]=4 12533 B12R0.144 CCCCNC(=O)CC(OC)OC 11a_100000102301_100000082724 [0,2,0,0,0,0|1,0,0]=3 12534 B12R0.144 CCCCNC(=O)CC(OC)OC 1626a_100000102301_100000082724 [0,2,0,0,0,0|1,0,0]=3 12535 B12R0.144 CCCCNC(=O)CC(OC)OC 240690a_100000102301_100000082724 [0,2,0,0,0,0|1,0,0]=3 12536 B12R0.144 CCCCNC(=O)CC(OC)OC 527a_100000102301_100000082724 [0,2,0,0,0,0|1,0,0]=3 12537 B12R0.144 CCCCNC(=O)CN(CC)CC 11a_100000102301_100000758533 [0,2,0,0,0,0|2,0,0]=4 12538 B12R0.144 CCCCNC(=O)CN(CC)CC 1626a_100000102301_100000758533 [0,2,0,0,0,0|2,0,0]=4 12539 B12R0.144 CCCCNC(=O)CN(CC)CC 2230a_100000724800_100000182744 [0,2,0,0,0,0|2,0,0]=4 12540 B12R0.144 CCCCNC(=O)CN(CC)CC 240690a_100000102301_100000758533 [0,2,0,0,0,0|2,0,0]=4 12541 B12R0.144 CCCCNC(=O)CN(CC)CC 269956a_100000042499_100000182744 [0,2,0,0,0,0|2,0,0]=4 12542 B12R0.144 CCCCNC(=O)CN(CC)CC 269982a_100000724800_100000182744 [0,2,0,0,0,0|2,0,0]=4 12543 B12R0.144 CCCCNC(=O)CN(CC)CC 527a_100000102301_100000758533 [0,2,0,0,0,0|2,0,0]=4 12544 B12R0.144 CCCCNC(=O)NC(CC)CC 2708a_100000102301_100000199018 [0,2,0,0,0,0|2,0,0]=4 12545 B12R0.144 CCCCNC(=O)NC(CC)CC 2708a_100000199018_100000102301 [0,2,0,0,0,0|2,0,0]=4 12546 B12R0.144 CCCCNC(=O)NC(CC)CC 273464a_100000102301_100000199018 [0,2,0,0,0,0|2,0,0]=4 12547 B12R0.144 CCCCNC(=O)NC(CC)CC 273464a_100000199018_100000102301 [0,2,0,0,0,0|2,0,0]=4 12548 B12R0.144 CCCCNC(=O)NC(CC)CC 512a_100000102301_100000199018 [0,2,0,0,0,0|2,0,0]=4 12549 B12R0.144 CCCCNC(=O)NC(CC)CC 512a_100000199018_100000102301 [0,2,0,0,0,0|2,0,0]=4 12550 B12R0.144 CCCCNC(=O)NC(CO)CO 2708a_100000102301_100000759517 [0,2,0,0,0,0|2,0,0]=4 12551 B12R0.144 CCCCNC(=O)NC(CO)CO 273464a_100000102301_100000759517 [0,2,0,0,0,0|2,0,0]=4 12552 B12R0.144 CCCCNC(=O)NC(CO)CO 273464a_100000759517_100000102301 [0,2,0,0,0,0|2,0,0]=4 12553 B12R0.144 CCCCNC(=O)NC(CO)CO 512a_100000102301_100000759517 [0,2,0,0,0,0|2,0,0]=4 12554 B12R0.144 CCCCNC(=O)N[C@@H](CC)CO 2708a_100000102301_100000709445 [0,2,0,0,0,0|2,0,0]=4 12555 B12R0.144 CCCCNC(=O)N[C@@H](CC)CO 273464a_100000102301_100000709445 [0,2,0,0,0,0|2,0,0]=4 12556 B12R0.144 CCCCNC(=O)N[C@@H](CC)CO 273464a_100000709445_100000102301 [0,2,0,0,0,0|2,0,0]=4 12557 B12R0.144 CCCCNC(=O)N[C@@H](CC)CO 512a_100000102301_100000709445 [0,2,0,0,0,0|2,0,0]=4 12558 B12R0.144 CCCCNC(=O)N[C@@H](CC)CO 512a_100000709445_100000102301 [0,2,0,0,0,0|2,0,0]=4 12559 B12R0.144 CCCCOC(=O)CN(CC)CC 2230a_100000724800_100000211628 [0,2,0,0,0,0|1,0,0]=3 12560 B12R0.144 CCCCOC(=O)CN(CC)CC 269956a_100000042499_100000211628 [0,2,0,0,0,0|1,0,0]=3 12561 B12R0.144 CCCCOC(=O)CN(CC)CC 269982a_100000724800_100000211628 [0,2,0,0,0,0|1,0,0]=3 12562 B12R0.144 CCCCOC(C)CC(OC)OC 7a_100011018202_100000210211 [0,2,0,0,0,0|1,0,1]=4 12563 B12R0.144 CCCNNC(=O)CC(OC)OC 22a_100000740057_100000082724 [0,2,0,0,0,0|2,0,0]=4 12564 B12R0.144 CCCOCC(=O)CC(CC)CC 1458a_100000745993_100011215472 [0,2,0,0,0,0|2,0,0]=4 12565 B12R0.144 CCCOCC(=O)CC(OC)OC 1458a_100000745993_100000751394 [0,2,0,0,0,0|2,0,0]=4 12566 B12R0.144 CCCSCC(=O)CC(CC)CC 1458a_100000217233_100011215472 [0,2,0,0,0,0|2,0,0]=4 12567 B12R0.144 CCCSCC(=O)CC(OC)OC 1458a_100000217233_100000751394 [0,2,0,0,0,0|2,0,0]=4 12568 B12R0.144 CCN(CC)CC(=O)OCCOC 2230a_100000724800_200000040189 [0,2,0,0,0,0|2,0,0]=4 12569 B12R0.144 CCN(CC)CC(=O)OCCOC 269956a_100000042499_200000040189 [0,2,0,0,0,0|2,0,0]=4 12570 B12R0.144 CCN(CC)CC(=O)OCCOC 269982a_100000724800_200000040189 [0,2,0,0,0,0|2,0,0]=4 12571 B12R0.144 CCOCCC(=O)CC(CC)CC 1458a_100000749530_100011215472 [0,2,0,0,0,0|2,0,0]=4 12572 B12R0.144 CCOCCC(=O)CC(OC)OC 1458a_100000082724_100011215890 [0,2,0,0,0,0|2,0,0]=4 12573 B12R0.144 CCOCCC(=O)CC(OC)OC 1458a_100000749530_100000751394 [0,2,0,0,0,0|2,0,0]=4 12574 B12R0.144 CCSCCC(=O)CC(CC)CC 1458a_100000230768_100011215472 [0,2,0,0,0,0|2,0,0]=4 12575 B12R0.144 CCSCCC(=O)CC(OC)OC 1458a_100000082724_100000757381 [0,2,0,0,0,0|2,0,0]=4 12576 B12R0.144 CCSCCC(=O)CC(OC)OC 1458a_100000230768_100000751394 [0,2,0,0,0,0|2,0,0]=4 12577 B12R0.144 COC(CC(=O)CCCCF)OC 1458a_100000082724_100000729493 [0,2,0,0,0,0|2,0,0]=4 12578 B12R0.144 COC(CC(=O)CCCCO)OC 1458a_100000082724_100000210776 [0,2,0,0,0,0|2,0,0]=4 12579 B12R0.144 COC(CC(=O)CCCCO)OC 1458a_100000695505_100000751394 [0,2,0,0,0,0|2,0,0]=4 12580 B12R0.144 COC(CC(=O)CCCSC)OC 1458a_100000173376_100000751394 [0,2,0,0,0,0|2,0,0]=4 12581 B12R0.144 COC(CC(=O)NCCCF)OC 11a_100015189416_100000082724 [0,2,0,0,0,0|2,0,0]=4 12582 B12R0.144 COC(CC(=O)NCCCF)OC 1626a_100015189416_100000082724 [0,2,0,0,0,0|2,0,0]=4 12583 B12R0.144 COC(CC(=O)NCCCF)OC 240690a_100015189416_100000082724 [0,2,0,0,0,0|2,0,0]=4 12584 B12R0.144 COC(CC(=O)NCCCF)OC 527a_100015189416_100000082724 [0,2,0,0,0,0|2,0,0]=4 12585 B12R0.144 COC(CC(=O)NCCCO)OC 240690a_100000182051_100000082724 [0,2,0,0,0,0|2,0,0]=4 12586 B12R0.144 COC(CC(=O)NCCCO)OC 527a_100000182051_100000082724 [0,2,0,0,0,0|2,0,0]=4 12587 B12R0.144 COC(CC(=O)NCCSC)OC 11a_100020590264_100000082724 [0,2,0,0,0,0|2,0,0]=4 12588 B12R0.144 COC(CC(=O)NCCSC)OC 1626a_100020590264_100000082724 [0,2,0,0,0,0|2,0,0]=4 12589 B12R0.144 COC(CC(=O)NCCSC)OC 240690a_100020590264_100000082724 [0,2,0,0,0,0|2,0,0]=4 12590 B12R0.144 COC(CC(=O)NCCSC)OC 527a_100020590264_100000082724 [0,2,0,0,0,0|2,0,0]=4 12591 B12R0.144 COCCCC(=O)CC(OC)OC 1458a_100000082724_100000740836 [0,2,0,0,0,0|2,0,0]=4 12592 B12R0.144 COCCCC(=O)CC(OC)OC 1458a_100000741012_100000751394 [0,2,0,0,0,0|2,0,0]=4 12593 B12R0.144 COCCNC(=O)CC(OC)OC 1626a_100000209980_100000082724 [0,2,0,0,0,0|2,0,0]=4 12594 B12R0.144 COCCNC(=O)CC(OC)OC 240690a_100000209980_100000082724 [0,2,0,0,0,0|2,0,0]=4 12595 B12R0.144 COCCNC(=O)CC(OC)OC 527a_100000209980_100000082724 [0,2,0,0,0,0|2,0,0]=4 12596 B12R0.239 C#CCC(=O)CC(=O)OCCCC 1458a_100011220946_100000211628 [0,2,0,0,0,0|1,0,1]=4 12597 B12R0.239 C#CCN(C)CC(=O)CCCCC 2230a_100000225692_200012276598 [0,2,0,0,0,0|2,0,0]=4 12598 B12R0.239 C#CCN(C)CC(=O)CCCCC 34a_100000225692_200012276598 [0,2,0,0,0,0|2,0,0]=4 12599 B12R0.239 C#CCN(C)CC(=O)NCCCC 2230a_100000225692_100000182744 [0,2,0,0,0,0|2,0,0]=4 12600 B12R0.239 C#CCN(C)CC(=O)NCCCC 2230a_200000213093_100000038162 [0,2,0,0,0,0|2,0,0]=4 12601 B12R0.239 C#CCN(C)CC(=O)NCCCC 34a_100000225692_100000182744 [0,2,0,0,0,0|2,0,0]=4 12602 B12R0.239 C#CCN(C)CC(=O)OCCCC 2230a_100000225692_100000211628 [0,2,0,0,0,0|1,0,0]=3 12603 B12R0.239 C#CCN(C)CC(=O)OCCCC 34a_100000225692_100000211628 [0,2,0,0,0,0|1,0,0]=3 12604 B12R0.239 C#CCN(C)CC(=O)OCCOC 2230a_100000225692_200000040189 [0,2,0,0,0,0|2,0,0]=4 12605 B12R0.239 C#CCN(C)CC(=O)OCCOC 34a_100000225692_200000040189 [0,2,0,0,0,0|2,0,0]=4 12606 B12R0.239 C=CCC(=O)CC(=O)OCCCC 1458a_100000210193_100000211628 [0,2,0,0,0,0|1,0,1]=4 12607 B12R0.239 C=CCN(C)CC(=O)CCCCC 2230a_100000225617_200012276598 [0,2,0,0,0,0|2,0,0]=4 12608 B12R0.239 C=CCN(C)CC(=O)CCCCC 269982a_100000225617_200012276598 [0,2,0,0,0,0|2,0,0]=4 12609 B12R0.239 C=CCN(C)CC(=O)NCCCC 2230a_100000225617_100000182744 [0,2,0,0,0,0|2,0,0]=4 12610 B12R0.239 C=CCN(C)CC(=O)NCCCC 2230a_200000213093_100000210623 [0,2,0,0,0,0|2,0,0]=4 12611 B12R0.239 C=CCN(C)CC(=O)NCCCC 269982a_100000225617_100000182744 [0,2,0,0,0,0|2,0,0]=4 12612 B12R0.239 C=CCN(C)CC(=O)NCCCC 269982a_200000213093_100000210623 [0,2,0,0,0,0|2,0,0]=4 12613 B12R0.239 C=CCN(C)CC(=O)OCCCC 2230a_100000225617_100000211628 [0,2,0,0,0,0|1,0,0]=3 12614 B12R0.239 C=CCN(C)CC(=O)OCCCC 269982a_100000225617_100000211628 [0,2,0,0,0,0|1,0,0]=3 12615 B12R0.239 C=CCN(C)CC(=O)OCCOC 2230a_100000225617_200000040189 [0,2,0,0,0,0|2,0,0]=4 12616 B12R0.239 C=CCN(C)CC(=O)OCCOC 269982a_100000225617_200000040189 [0,2,0,0,0,0|2,0,0]=4 12617 B12R0.239 CC#CC(=O)CC(=O)OCCCC 1458a_100000763181_100000211628 [0,2,0,0,0,0|1,0,1]=4 12618 B12R0.239 CC=CC(=O)CC(=O)OCCCC 1458a_100000210699_100000211628 [0,2,0,0,0,0|1,0,1]=4 12619 B12R0.239 CCCC#CC(=O)CC(C)CCC 1458a_200011218047_100011216630 [0,2,0,0,0,0|1,0,1]=4 12620 B12R0.239 CCCC(C)CC(=O)CCCCF 1458a_100000748435_100000729493 [0,2,0,0,0,0|2,0,0]=4 12621 B12R0.239 CCCC(C)CC(=O)CCCCO 1458a_100000695505_100011216630 [0,2,0,0,0,0|2,0,0]=4 12622 B12R0.239 CCCC(C)CC(=O)CCCCO 1458a_100000748435_100000210776 [0,2,0,0,0,0|2,0,0]=4 12623 B12R0.239 CCCC(C)CC(=O)CCCOC 1458a_100000741012_100011216630 [0,2,0,0,0,0|2,0,0]=4 12624 B12R0.239 CCCC(C)CC(=O)CCCOC 1458a_100000748435_100000740836 [0,2,0,0,0,0|2,0,0]=4 12625 B12R0.239 CCCC(C)CC(=O)CCCSC 1458a_100000173376_100011216630 [0,2,0,0,0,0|2,0,0]=4 12626 B12R0.239 CCCC(C)CC(=O)CCOCC 1458a_100000748435_100011215890 [0,2,0,0,0,0|2,0,0]=4 12627 B12R0.239 CCCC(C)CC(=O)CCOCC 1458a_100000749530_100011216630 [0,2,0,0,0,0|2,0,0]=4 12628 B12R0.239 CCCC(C)CC(=O)CCSCC 1458a_100000230768_100011216630 [0,2,0,0,0,0|2,0,0]=4 12629 B12R0.239 CCCC(C)CC(=O)CCSCC 1458a_100000748435_100000757381 [0,2,0,0,0,0|2,0,0]=4 12630 B12R0.239 CCCC(C)CC(=O)NCCCF 11a_100015189416_100000748435 [0,2,0,0,0,0|2,0,0]=4 12631 B12R0.239 CCCC(C)CC(=O)NCCCF 1626a_100015189416_100000748435 [0,2,0,0,0,0|2,0,0]=4 12632 B12R0.239 CCCC(C)CC(=O)NCCCF 240690a_100015189416_100000748435 [0,2,0,0,0,0|2,0,0]=4 12633 B12R0.239 CCCC(C)CC(=O)NCCCF 527a_100015189416_100000748435 [0,2,0,0,0,0|2,0,0]=4 12634 B12R0.239 CCCC(C)CC(=O)NCCCO 240690a_100000182051_100000748435 [0,2,0,0,0,0|2,0,0]=4 12635 B12R0.239 CCCC(C)CC(=O)NCCCO 527a_100000182051_100000748435 [0,2,0,0,0,0|2,0,0]=4 12636 B12R0.239 CCCC(C)CC(=O)NCCOC 1626a_100000209980_100000748435 [0,2,0,0,0,0|2,0,0]=4 12637 B12R0.239 CCCC(C)CC(=O)NCCOC 240690a_100000209980_100000748435 [0,2,0,0,0,0|2,0,0]=4 12638 B12R0.239 CCCC(C)CC(=O)NCCOC 527a_100000209980_100000748435 [0,2,0,0,0,0|2,0,0]=4 12639 B12R0.239 CCCC(C)CC(=O)NCCSC 11a_100020590264_100000748435 [0,2,0,0,0,0|2,0,0]=4 12640 B12R0.239 CCCC(C)CC(=O)NCCSC 1626a_100020590264_100000748435 [0,2,0,0,0,0|2,0,0]=4 12641 B12R0.239 CCCC(C)CC(=O)NCCSC 240690a_100020590264_100000748435 [0,2,0,0,0,0|2,0,0]=4 12642 B12R0.239 CCCC(C)CC(=O)NCCSC 527a_100020590264_100000748435 [0,2,0,0,0,0|2,0,0]=4 12643 B12R0.239 CCCC=CC(=O)CC(C)CCC 1458a_100000212230_100011216630 [0,2,0,0,0,0|1,0,1]=4 12644 B12R0.239 CCCCCC(=O)CC(C)CCC 1458a_100000212188_100011216630 [0,2,0,0,0,0|1,0,0]=3 12645 B12R0.239 CCCCCC(=O)CC(C)CCC 1458a_100000748435_100000210326 [0,2,0,0,0,0|1,0,0]=3 12646 B12R0.239 CCCCCC(=O)CC(C)SCC 1458a_200011311441_100000210326 [0,2,0,0,0,0|1,0,0]=3 12647 B12R0.239 CCCCCC(=O)CN(C)CC#N 2230a_100000748184_200012276598 [0,2,0,0,0,0|2,0,0]=4 12648 B12R0.239 CCCCCC(=O)CN(C)CCC 2230a_100000747261_200012276598 [0,2,0,0,0,0|2,0,0]=4 12649 B12R0.239 CCCCCC(=O)CN(C)CCC 269982a_100000747261_200012276598 [0,2,0,0,0,0|2,0,0]=4 12650 B12R0.239 CCCCCC(=O)CN(C)CCO 2230a_100000210263_200012276598 [0,2,0,0,0,0|2,0,0]=4 12651 B12R0.239 CCCCCC(=O)CN(C)CCO 269982a_100000210263_200012276598 [0,2,0,0,0,0|2,0,0]=4 12652 B12R0.239 CCCCCC(=O)NC(C)CCC 11a_100000741246_100000212188 [0,2,0,0,0,0|2,0,0]=4 12653 B12R0.239 CCCCCC(=O)NC(C)CCC 1626a_100000741246_100000212188 [0,2,0,0,0,0|2,0,0]=4 12654 B12R0.239 CCCCCC(=O)NC(C)CCC 240690a_100000741246_100000212188 [0,2,0,0,0,0|2,0,0]=4 12655 B12R0.239 CCCCCC(=O)NC(C)CCC 527a_100000741246_100000212188 [0,2,0,0,0,0|2,0,0]=4 12656 B12R0.239 CCCCCC(=O)N[C@@H](C)CC#N 11a_100016994482_100000212188 [0,2,0,0,0,0|2,0,0]=4 12657 B12R0.239 CCCCCC(=O)N[C@@H](C)CC#N 1626a_100016994482_100000212188 [0,2,0,0,0,0|2,0,0]=4 12658 B12R0.239 CCCCCC(=O)N[C@@H](C)CC#N 240690a_100016994482_100000212188 [0,2,0,0,0,0|2,0,0]=4 12659 B12R0.239 CCCCCC(=O)N[C@@H](C)CC#N 527a_100016994482_100000212188 [0,2,0,0,0,0|2,0,0]=4 12660 B12R0.239 CCCCCC(=O)N[C@H](C)CCO 240690a_100000706166_100000212188 [0,2,0,0,0,0|2,0,0]=4 12661 B12R0.239 CCCCCC(=O)N[C@H](C)CCO 527a_100000706166_100000212188 [0,2,0,0,0,0|2,0,0]=4 12662 B12R0.239 CCCCCC(=O)N[C@H](C)COC 11a_100000764878_100000212188 [0,2,0,0,0,0|2,0,0]=4 12663 B12R0.239 CCCCCC(=O)N[C@H](C)COC 1626a_100000764878_100000212188 [0,2,0,0,0,0|2,0,0]=4 12664 B12R0.239 CCCCCC(=O)N[C@H](C)COC 240690a_100000764878_100000212188 [0,2,0,0,0,0|2,0,0]=4 12665 B12R0.239 CCCCCC(=O)N[C@H](C)COC 527a_100000764878_100000212188 [0,2,0,0,0,0|2,0,0]=4 12666 B12R0.239 CCCCNC(=O)CC(C)CCC 11a_100000102301_100000748435 [0,2,0,0,0,0|1,0,0]=3 12667 B12R0.239 CCCCNC(=O)CC(C)CCC 1626a_100000102301_100000748435 [0,2,0,0,0,0|1,0,0]=3 12668 B12R0.239 CCCCNC(=O)CC(C)CCC 240690a_100000102301_100000748435 [0,2,0,0,0,0|1,0,0]=3 12669 B12R0.239 CCCCNC(=O)CC(C)CCC 527a_100000102301_100000748435 [0,2,0,0,0,0|1,0,0]=3 12670 B12R0.239 CCCCNC(=O)CC(C)SCC 11a_100000102301_200011311441 [0,2,0,0,0,0|1,0,0]=3 12671 B12R0.239 CCCCNC(=O)CC(C)SCC 1626a_100000102301_200011311441 [0,2,0,0,0,0|1,0,0]=3 12672 B12R0.239 CCCCNC(=O)CC(C)SCC 240690a_100000102301_200011311441 [0,2,0,0,0,0|1,0,0]=3 12673 B12R0.239 CCCCNC(=O)CC(C)SCC 527a_100000102301_200011311441 [0,2,0,0,0,0|1,0,0]=3 12674 B12R0.239 CCCCNC(=O)CN(C)CC#N 2230a_100000748184_100000182744 [0,2,0,0,0,0|2,0,0]=4 12675 B12R0.239 CCCCNC(=O)CN(C)CC#N 2230a_200000213093_100011215382 [0,2,0,0,0,0|2,0,0]=4 12676 B12R0.239 CCCCNC(=O)CN(C)CC#N 269982a_200000213093_100011214920 [0,2,0,0,0,0|2,0,0]=4 12677 B12R0.239 CCCCNC(=O)CN(C)CC=O 2230a_200000213093_200015260668 [0,2,0,0,0,0|2,0,0]=4 12678 B12R0.239 CCCCNC(=O)CN(C)CC=O 269982a_200000213093_200015260668 [0,2,0,0,0,0|2,0,0]=4 12679 B12R0.239 CCCCNC(=O)CN(C)CCC 2230a_100000747261_100000182744 [0,2,0,0,0,0|2,0,0]=4 12680 B12R0.239 CCCCNC(=O)CN(C)CCC 2230a_200000213093_100000210303 [0,2,0,0,0,0|2,0,0]=4 12681 B12R0.239 CCCCNC(=O)CN(C)CCC 269982a_100000747261_100000182744 [0,2,0,0,0,0|2,0,0]=4 12682 B12R0.239 CCCCNC(=O)CN(C)CCC 269982a_200000213093_100000210303 [0,2,0,0,0,0|2,0,0]=4 12683 B12R0.239 CCCCNC(=O)CN(C)CCF 2230a_200000213093_100011217306 [0,2,0,0,0,0|2,0,0]=4 12684 B12R0.239 CCCCNC(=O)CN(C)CCF 269982a_200000213093_100011217306 [0,2,0,0,0,0|2,0,0]=4 12685 B12R0.239 CCCCNC(=O)CN(C)CCO 2230a_100000210263_100000182744 [0,2,0,0,0,0|2,0,0]=4 12686 B12R0.239 CCCCNC(=O)CN(C)CCO 2230a_200000213093_100000211926 [0,2,0,0,0,0|2,0,0]=4 12687 B12R0.239 CCCCNC(=O)CN(C)CCO 269982a_100000210263_100000182744 [0,2,0,0,0,0|2,0,0]=4 12688 B12R0.239 CCCCNC(=O)CN(C)CCO 269982a_200000213093_100000211926 [0,2,0,0,0,0|2,0,0]=4 12689 B12R0.239 CCCCNC(=O)CN(C)COC 2230a_200000213093_100000766300 [0,2,0,0,0,0|2,0,0]=4 12690 B12R0.239 CCCCNC(=O)CN(C)COC 269982a_200000213093_100000766300 [0,2,0,0,0,0|2,0,0]=4 12691 B12R0.239 CCCCNC(=O)CN(C)CSC 2230a_200000213093_100011218213 [0,2,0,0,0,0|2,0,0]=4 12692 B12R0.239 CCCCNC(=O)CN(C)CSC 269982a_200000213093_100011218213 [0,2,0,0,0,0|2,0,0]=4 12693 B12R0.239 CCCCNC(=O)NC(C)CCC 2708a_100000102301_100000741246 [0,2,0,0,0,0|2,0,0]=4 12694 B12R0.239 CCCCNC(=O)NC(C)CCC 2708a_100000741246_100000102301 [0,2,0,0,0,0|2,0,0]=4 12695 B12R0.239 CCCCNC(=O)NC(C)CCC 273464a_100000741246_100000102301 [0,2,0,0,0,0|2,0,0]=4 12696 B12R0.239 CCCCNC(=O)NC(C)CCC 512a_100000102301_100000741246 [0,2,0,0,0,0|2,0,0]=4 12697 B12R0.239 CCCCNC(=O)NC(C)CCC 512a_100000741246_100000102301 [0,2,0,0,0,0|2,0,0]=4 12698 B12R0.239 CCCCNC(=O)N[C@@H](C)CC#N 2708a_100000102301_100016994482 [0,2,0,0,0,0|2,0,0]=4 12699 B12R0.239 CCCCNC(=O)N[C@@H](C)CC#N 2708a_100016994482_100000102301 [0,2,0,0,0,0|2,0,0]=4 12700 B12R0.239 CCCCNC(=O)N[C@@H](C)CC#N 273464a_100000102301_100016994482 [0,2,0,0,0,0|2,0,0]=4 12701 B12R0.239 CCCCNC(=O)N[C@@H](C)CC#N 273464a_100016994482_100000102301 [0,2,0,0,0,0|2,0,0]=4 12702 B12R0.239 CCCCNC(=O)N[C@@H](C)CC#N 512a_100000102301_100016994482 [0,2,0,0,0,0|2,0,0]=4 12703 B12R0.239 CCCCNC(=O)N[C@@H](C)CC#N 512a_100016994482_100000102301 [0,2,0,0,0,0|2,0,0]=4 12704 B12R0.239 CCCCNC(=O)N[C@H](C)CCO 2708a_100000102301_100000706166 [0,2,0,0,0,0|2,0,0]=4 12705 B12R0.239 CCCCNC(=O)N[C@H](C)CCO 273464a_100000706166_100000102301 [0,2,0,0,0,0|2,0,0]=4 12706 B12R0.239 CCCCNC(=O)N[C@H](C)CCO 512a_100000102301_100000706166 [0,2,0,0,0,0|2,0,0]=4 12707 B12R0.239 CCCCNC(=O)N[C@H](C)CCO 512a_100000706166_100000102301 [0,2,0,0,0,0|2,0,0]=4 12708 B12R0.239 CCCCNC(=O)N[C@H](C)COC 2708a_100000102301_100000764878 [0,2,0,0,0,0|2,0,0]=4 12709 B12R0.239 CCCCNC(=O)N[C@H](C)COC 2708a_100000764878_100000102301 [0,2,0,0,0,0|2,0,0]=4 12710 B12R0.239 CCCCNC(=O)N[C@H](C)COC 273464a_100000102301_100000764878 [0,2,0,0,0,0|2,0,0]=4 12711 B12R0.239 CCCCNC(=O)N[C@H](C)COC 273464a_100000764878_100000102301 [0,2,0,0,0,0|2,0,0]=4 12712 B12R0.239 CCCCNC(=O)N[C@H](C)COC 512a_100000102301_100000764878 [0,2,0,0,0,0|2,0,0]=4 12713 B12R0.239 CCCCNC(=O)N[C@H](C)COC 512a_100000764878_100000102301 [0,2,0,0,0,0|2,0,0]=4 12714 B12R0.239 CCCCOC(=O)CC(=O)CC#N 1458a_100051588842_100000211628 [0,2,0,0,0,0|1,0,1]=4 12715 B12R0.239 CCCCOC(=O)CC(=O)CCC 1458a_100000211992_100000211628 [0,2,0,0,0,0|1,0,1]=4 12716 B12R0.239 CCCCOC(=O)CC(=O)CCO 1458a_100011216618_100000211628 [0,2,0,0,0,0|1,0,1]=4 12717 B12R0.239 CCCCOC(=O)CC(=O)COC 1458a_100000210968_100000211628 [0,2,0,0,0,0|1,0,1]=4 12718 B12R0.239 CCCCOC(=O)CC(=O)CSC 1458a_100000184570_100000211628 [0,2,0,0,0,0|1,0,1]=4 12719 B12R0.239 CCCCOC(=O)CN(C)CC#N 2230a_100000748184_100000211628 [0,2,0,0,0,0|1,0,0]=3 12720 B12R0.239 CCCCOC(=O)CN(C)CCC 2230a_100000747261_100000211628 [0,2,0,0,0,0|1,0,0]=3 12721 B12R0.239 CCCCOC(=O)CN(C)CCC 269982a_100000747261_100000211628 [0,2,0,0,0,0|1,0,0]=3 12722 B12R0.239 CCCCOC(=O)CN(C)CCO 2230a_100000210263_100000211628 [0,2,0,0,0,0|1,0,0]=3 12723 B12R0.239 CCCCOC(=O)CN(C)CCO 269982a_100000210263_100000211628 [0,2,0,0,0,0|1,0,0]=3 12724 B12R0.239 CCCN(C)CC(=O)OCCOC 2230a_100000747261_200000040189 [0,2,0,0,0,0|2,0,0]=4 12725 B12R0.239 CCCN(C)CC(=O)OCCOC 269982a_100000747261_200000040189 [0,2,0,0,0,0|2,0,0]=4 12726 B12R0.239 CCCNNC(=O)CC(C)CCC 22a_100000740057_100000748435 [0,2,0,0,0,0|2,0,0]=4 12727 B12R0.239 CCCNNC(=O)CC(C)SCC 22a_100000740057_200011311441 [0,2,0,0,0,0|2,0,0]=4 12728 B12R0.239 CCCOCC(=O)CC(C)CCC 1458a_100000745993_100011216630 [0,2,0,0,0,0|2,0,0]=4 12729 B12R0.239 CCCSCC(=O)CC(C)CCC 1458a_100000217233_100011216630 [0,2,0,0,0,0|2,0,0]=4 12730 B12R0.239 CCOCCC(=O)CC(C)SCC 1458a_200011311441_100011215890 [0,2,0,0,0,0|2,0,0]=4 12731 B12R0.239 CCSC(C)CC(=O)CCCCF 1458a_200011311441_100000729493 [0,2,0,0,0,0|2,0,0]=4 12732 B12R0.239 CCSC(C)CC(=O)CCCCO 1458a_200011311441_100000210776 [0,2,0,0,0,0|2,0,0]=4 12733 B12R0.239 CCSC(C)CC(=O)CCCOC 1458a_200011311441_100000740836 [0,2,0,0,0,0|2,0,0]=4 12734 B12R0.239 CCSC(C)CC(=O)NCCCF 11a_100015189416_200011311441 [0,2,0,0,0,0|2,0,0]=4 12735 B12R0.239 CCSC(C)CC(=O)NCCCF 1626a_100015189416_200011311441 [0,2,0,0,0,0|2,0,0]=4 12736 B12R0.239 CCSC(C)CC(=O)NCCCF 240690a_100015189416_200011311441 [0,2,0,0,0,0|2,0,0]=4 12737 B12R0.239 CCSC(C)CC(=O)NCCCF 527a_100015189416_200011311441 [0,2,0,0,0,0|2,0,0]=4 12738 B12R0.239 CCSC(C)CC(=O)NCCCO 240690a_100000182051_200011311441 [0,2,0,0,0,0|2,0,0]=4 12739 B12R0.239 CCSC(C)CC(=O)NCCCO 527a_100000182051_200011311441 [0,2,0,0,0,0|2,0,0]=4 12740 B12R0.239 CCSC(C)CC(=O)NCCOC 1626a_100000209980_200011311441 [0,2,0,0,0,0|2,0,0]=4 12741 B12R0.239 CCSC(C)CC(=O)NCCOC 240690a_100000209980_200011311441 [0,2,0,0,0,0|2,0,0]=4 12742 B12R0.239 CCSC(C)CC(=O)NCCOC 527a_100000209980_200011311441 [0,2,0,0,0,0|2,0,0]=4 12743 B12R0.239 CCSC(C)CC(=O)NCCSC 11a_100020590264_200011311441 [0,2,0,0,0,0|2,0,0]=4 12744 B12R0.239 CCSC(C)CC(=O)NCCSC 1626a_100020590264_200011311441 [0,2,0,0,0,0|2,0,0]=4 12745 B12R0.239 CCSC(C)CC(=O)NCCSC 240690a_100020590264_200011311441 [0,2,0,0,0,0|2,0,0]=4 12746 B12R0.239 CCSC(C)CC(=O)NCCSC 527a_100020590264_200011311441 [0,2,0,0,0,0|2,0,0]=4 12747 B12R0.239 CCSCCC(=O)CC(C)SCC 1458a_200011311441_100000757381 [0,2,0,0,0,0|2,0,0]=4 12748 B12R0.239 COCCOC(=O)CN(C)CC#N 2230a_100000748184_200000040189 [0,2,0,0,0,0|2,0,0]=4 12749 B12R0.239 COCCOC(=O)CN(C)CCO 2230a_100000210263_200000040189 [0,2,0,0,0,0|2,0,0]=4 12750 B12R0.239 COCCOC(=O)CN(C)CCO 269982a_100000210263_200000040189 [0,2,0,0,0,0|2,0,0]=4 12751 B12R0.318 C#CC(C)(C)NC(=O)CCCCC 11a_100000054563_100000212188 [0,2,0,0,0,0|2,0,0]=4 12752 B12R0.318 C#CC(C)(C)NC(=O)CCCCC 1626a_100000054563_100000212188 [0,2,0,0,0,0|2,0,0]=4 12753 B12R0.318 C#CC(C)(C)NC(=O)CCCCC 240690a_100000054563_100000212188 [0,2,0,0,0,0|2,0,0]=4 12754 B12R0.318 C#CC(C)(C)NC(=O)NCCCC 273464a_100000054563_100000102301 [0,2,0,0,0,0|2,0,0]=4 12755 B12R0.318 C#CC(C)(C)NC(=O)NCCCC 273464a_100000102301_100000054563 [0,2,0,0,0,0|2,0,0]=4 12756 B12R0.318 C#CC(C)(C)NC(=O)NCCCC 512a_100000054563_100000102301 [0,2,0,0,0,0|2,0,0]=4 12757 B12R0.318 C#CC(C)(C)NC(=O)NCCCC 512a_100000102301_100000054563 [0,2,0,0,0,0|2,0,0]=4 12758 B12R0.318 C=C[Si](C)(C)CC(=O)CCCCC 1458a_100000212188_100000038793 [0,2,0,0,0,0|1,1,0]=4 12759 B12R0.318 CCC(C)(C)CC(=O)CCCCF 1458a_200000763500_100000729493 [0,2,0,0,0,0|2,0,0]=4 12760 B12R0.318 CCC(C)(C)CC(=O)CCCCO 1458a_200000763500_100000210776 [0,2,0,0,0,0|2,0,0]=4 12761 B12R0.318 CCC(C)(C)CC(=O)CCCOC 1458a_200000763500_100000740836 [0,2,0,0,0,0|2,0,0]=4 12762 B12R0.318 CCC(C)(C)CC(=O)NCCCF 11a_100015189416_200000763500 [0,2,0,0,0,0|2,0,0]=4 12763 B12R0.318 CCC(C)(C)CC(=O)NCCCF 1626a_100015189416_200000763500 [0,2,0,0,0,0|2,0,0]=4 12764 B12R0.318 CCC(C)(C)CC(=O)NCCCF 240690a_100015189416_200000763500 [0,2,0,0,0,0|2,0,0]=4 12765 B12R0.318 CCC(C)(C)CC(=O)NCCCF 527a_100015189416_200000763500 [0,2,0,0,0,0|2,0,0]=4 12766 B12R0.318 CCC(C)(C)CC(=O)NCCCO 240690a_100000182051_200000763500 [0,2,0,0,0,0|2,0,0]=4 12767 B12R0.318 CCC(C)(C)CC(=O)NCCCO 527a_100000182051_200000763500 [0,2,0,0,0,0|2,0,0]=4 12768 B12R0.318 CCC(C)(C)CC(=O)NCCOC 1626a_100000209980_200000763500 [0,2,0,0,0,0|2,0,0]=4 12769 B12R0.318 CCC(C)(C)CC(=O)NCCOC 240690a_100000209980_200000763500 [0,2,0,0,0,0|2,0,0]=4 12770 B12R0.318 CCC(C)(C)CC(=O)NCCOC 527a_100000209980_200000763500 [0,2,0,0,0,0|2,0,0]=4 12771 B12R0.318 CCC(C)(C)CC(=O)NCCSC 11a_100020590264_200000763500 [0,2,0,0,0,0|2,0,0]=4 12772 B12R0.318 CCC(C)(C)CC(=O)NCCSC 1626a_100020590264_200000763500 [0,2,0,0,0,0|2,0,0]=4 12773 B12R0.318 CCC(C)(C)CC(=O)NCCSC 240690a_100020590264_200000763500 [0,2,0,0,0,0|2,0,0]=4 12774 B12R0.318 CCC(C)(C)CC(=O)NCCSC 527a_100020590264_200000763500 [0,2,0,0,0,0|2,0,0]=4 12775 B12R0.318 CCC(C)(O)CC(=O)CCCCF 1458a_200011219800_100000729493 [0,2,0,0,0,0|2,0,0]=4 12776 B12R0.318 CCC(C)(O)CC(=O)CCCCO 1458a_200011219800_100000210776 [0,2,0,0,0,0|2,0,0]=4 12777 B12R0.318 CCC(C)(O)CC(=O)CCCOC 1458a_200011219800_100000740836 [0,2,0,0,0,0|2,0,0]=4 12778 B12R0.318 CCC(C)(O)CC(=O)NCCCF 240690a_100015189416_200011219800 [0,2,0,0,0,0|2,0,0]=4 12779 B12R0.318 CCC(C)(O)CC(=O)NCCCF 527a_100015189416_200011219800 [0,2,0,0,0,0|2,0,0]=4 12780 B12R0.318 CCC(C)(O)CC(=O)NCCCO 240690a_100000182051_200011219800 [0,2,0,0,0,0|2,0,0]=4 12781 B12R0.318 CCC(C)(O)CC(=O)NCCCO 527a_100000182051_200011219800 [0,2,0,0,0,0|2,0,0]=4 12782 B12R0.318 CCC(C)(O)CC(=O)NCCOC 240690a_100000209980_200011219800 [0,2,0,0,0,0|2,0,0]=4 12783 B12R0.318 CCC(C)(O)CC(=O)NCCOC 527a_100000209980_200011219800 [0,2,0,0,0,0|2,0,0]=4 12784 B12R0.318 CCC(C)(O)CC(=O)NCCSC 240690a_100020590264_200011219800 [0,2,0,0,0,0|2,0,0]=4 12785 B12R0.318 CCC(C)(O)CC(=O)NCCSC 527a_100020590264_200011219800 [0,2,0,0,0,0|2,0,0]=4 12786 B12R0.318 CCCCCC(=O)CC(C)(C)CC 1458a_200000763500_100000210326 [0,2,0,0,0,0|1,0,0]=3 12787 B12R0.318 CCCCCC(=O)CC(C)(O)CC 1458a_200011219800_100000210326 [0,2,0,0,0,0|1,0,0]=3 12788 B12R0.318 CCCCCC(=O)NC(C)(C)C#N 11a_100000761509_100000212188 [0,2,0,0,0,0|2,0,0]=4 12789 B12R0.318 CCCCCC(=O)NC(C)(C)C#N 1626a_100000761509_100000212188 [0,2,0,0,0,0|2,0,0]=4 12790 B12R0.318 CCCCCC(=O)NC(C)(C)C#N 527a_100000761509_100000212188 [0,2,0,0,0,0|2,0,0]=4 12791 B12R0.318 CCCCCC(=O)NC(C)(C)CC 11a_100000211385_100000212188 [0,2,0,0,0,0|2,0,0]=4 12792 B12R0.318 CCCCCC(=O)NC(C)(C)CC 1626a_100000211385_100000212188 [0,2,0,0,0,0|2,0,0]=4 12793 B12R0.318 CCCCCC(=O)NC(C)(C)CC 240690a_100000211385_100000212188 [0,2,0,0,0,0|2,0,0]=4 12794 B12R0.318 CCCCCC(=O)NC(C)(C)CC 527a_100000211385_100000212188 [0,2,0,0,0,0|2,0,0]=4 12795 B12R0.318 CCCCCC(=O)NC(C)(C)CO 240690a_100000210608_100000212188 [0,2,0,0,0,0|2,0,0]=4 12796 B12R0.318 CCCCCC(=O)NC(C)(C)CO 527a_100020618417_100000212188 [0,2,0,0,0,0|2,0,0]=4 12797 B12R0.318 CCCCNC(=O)CC(C)(C)CC 11a_100000102301_200000763500 [0,2,0,0,0,0|1,0,0]=3 12798 B12R0.318 CCCCNC(=O)CC(C)(C)CC 1626a_100000102301_200000763500 [0,2,0,0,0,0|1,0,0]=3 12799 B12R0.318 CCCCNC(=O)CC(C)(C)CC 240690a_100000102301_200000763500 [0,2,0,0,0,0|1,0,0]=3 12800 B12R0.318 CCCCNC(=O)CC(C)(C)CC 527a_100000102301_200000763500 [0,2,0,0,0,0|1,0,0]=3 12801 B12R0.318 CCCCNC(=O)CC(C)(O)CC 240690a_100000102301_200011219800 [0,2,0,0,0,0|1,0,0]=3 12802 B12R0.318 CCCCNC(=O)CC(C)(O)CC 527a_100000102301_200011219800 [0,2,0,0,0,0|1,0,0]=3 12803 B12R0.318 CCCCNC(=O)NC(C)(C)C#N 273464a_100000102301_100000761509 [0,2,0,0,0,0|2,0,0]=4 12804 B12R0.318 CCCCNC(=O)NC(C)(C)C#N 273464a_100000761509_100000102301 [0,2,0,0,0,0|2,0,0]=4 12805 B12R0.318 CCCCNC(=O)NC(C)(C)C#N 512a_100000102301_100000761509 [0,2,0,0,0,0|2,0,0]=4 12806 B12R0.318 CCCCNC(=O)NC(C)(C)C#N 512a_100000761509_100000102301 [0,2,0,0,0,0|2,0,0]=4 12807 B12R0.318 CCCCNC(=O)NC(C)(C)CC 2708a_100000102301_100000211385 [0,2,0,0,0,0|2,0,0]=4 12808 B12R0.318 CCCCNC(=O)NC(C)(C)CC 273464a_100000102301_100000211385 [0,2,0,0,0,0|2,0,0]=4 12809 B12R0.318 CCCCNC(=O)NC(C)(C)CC 273464a_100000211385_100000102301 [0,2,0,0,0,0|2,0,0]=4 12810 B12R0.318 CCCCNC(=O)NC(C)(C)CC 512a_100000102301_100000211385 [0,2,0,0,0,0|2,0,0]=4 12811 B12R0.318 CCCCNC(=O)NC(C)(C)CC 512a_100000211385_100000102301 [0,2,0,0,0,0|2,0,0]=4 12812 B12R0.318 CCCCNC(=O)NC(C)(C)CO 2708a_100000102301_100000210608 [0,2,0,0,0,0|2,0,0]=4 12813 B12R0.318 CCCCNC(=O)NC(C)(C)CO 273464a_100000102301_100000210608 [0,2,0,0,0,0|2,0,0]=4 12814 B12R0.318 CCCCNC(=O)NC(C)(C)CO 273464a_100000210608_100000102301 [0,2,0,0,0,0|2,0,0]=4 12815 B12R0.318 CCCCNC(=O)NC(C)(C)CO 512a_100000210608_100000102301 [0,2,0,0,0,0|2,0,0]=4 12816 B12R0.318 CCCCOC(C)CC(C)(C)OC 7a_200011252547_100000210211 [0,2,0,0,0,0|1,0,1]=4 12817 B12R0.318 CCCNNC(=O)CC(C)(C)CC 22a_100000740057_200000763500 [0,2,0,0,0,0|2,0,0]=4 12818 B12R0.318 CCCNNC(=O)CC(C)(O)CC 22a_100000740057_200011219800 [0,2,0,0,0,0|2,0,0]=4 12819 B12R0.318 CCOCCC(=O)CC(C)(C)CC 1458a_200000763500_100011215890 [0,2,0,0,0,0|2,0,0]=4 12820 B12R0.318 CCOCCC(=O)CC(C)(O)CC 1458a_200011219800_100011215890 [0,2,0,0,0,0|2,0,0]=4 12821 B12R0.318 CCSCCC(=O)CC(C)(C)CC 1458a_200000763500_100000757381 [0,2,0,0,0,0|2,0,0]=4 12822 B12R0.318 CCSCCC(=O)CC(C)(O)CC 1458a_200011219800_100000757381 [0,2,0,0,0,0|2,0,0]=4 12823 B12R0.656 CCCCOC(C)(C)CC(C)(C)C 7a_100000065652_100000210211 [0,2,0,0,0,0|1,0,1]=4 12824 B10R1.16 CCCCN1CC[C@H](C1)C 2230a_100016987628_100000210211 [1,0,0,1,0,0|1,0,1]=4 12825 B10R1.16 CCCCN1CC[C@H](C1)C 269982a_100016987628_100000210211 [1,0,0,1,0,0|1,0,1]=4 12826 B10R1.16 CCCCN1CC[C@H](C1)C 34a_100016987628_100000210210 [1,0,0,1,0,0|1,0,1]=4 12827 B10R1.18 CC(C)OC1CCCCO1 34a_100000033831_100000210206 [1,0,0,1,0,0|1,0,1]=4 12828 B10R1.18 CN(C)CC1CCCCO1 2230a_100000225654_200000210301 [1,0,0,1,0,0|1,0,1]=4 12829 B10R1.18 CN(C)CC1CCCCO1 2230a_100102631434_100000211543 [1,0,0,1,0,0|1,0,1]=4 12830 B10R1.18 CN(C)CC1CCCCO1 269982a_100000225654_200000210301 [1,0,0,1,0,0|1,0,1]=4 12831 B10R1.18 CN(C)CC1CCCCO1 269982a_100102631434_100000211543 [1,0,0,1,0,0|1,0,1]=4 12832 B10R1.18 CN(C)CC1CCCCO1 34a_100000225654_200000210301 [1,0,0,1,0,0|1,0,1]=4 12833 B10R1.18 CN([13CH3])CC1CCCCO1 2230a_100000225654_200025704644 [1,0,0,1,0,0|1,0,1]=4 12834 B10R1.18 CN([13CH3])CC1CCCCO1 269982a_100000225654_200025704644 [1,0,0,1,0,0|1,0,1]=4 12835 B10R1.18 CN([13CH3])CC1CCCCO1 34a_100000225654_200025704644 [1,0,0,1,0,0|1,0,1]=4 12836 B10R1.24 CCCCCN1CC(C1)C 2230a_100000702820_100000210326 [1,0,0,1,0,0|2,0,0]=4 12837 B10R1.24 CCCCCN1CC(C1)C 269982a_100000702820_100000210215 [1,0,0,1,0,0|2,0,0]=4 12838 B10R1.24 CCCCCN1CC(C1)C 34a_100000702820_100000718602 [1,0,0,1,0,0|2,0,0]=4 12839 B10R1.56 CC1CC1COCCCF 34a_100000744939_100011934791 [1,0,0,1,0,0|1,0,1]=4 12840 B10R1.56 CC1CC1COCCCF 7a_100000744939_100011934791 [1,0,0,1,0,0|1,0,1]=4 12841 B10R1.56 CC1CC1COCCCO 34a_100000744939_100000230001 [1,0,0,1,0,0|1,0,1]=4 12842 B10R1.56 CC1CC1COCCCO 7a_100000744939_100011215043 [1,0,0,1,0,0|1,0,1]=4 12843 B10R1.56 CCCCOCC1CC1C 34a_100000744939_100000210210 [1,0,0,1,0,0|0,0,1]=3 12844 B10R1.56 CCCCOCC1CC1C 7a_100000744939_100000210211 [1,0,0,1,0,0|0,0,1]=3 12845 B10R1.56 COCCOCC1CC1C 34a_100000744939_100011201679 [1,0,0,1,0,0|1,0,1]=4 12846 B10R1.56 COCCOCC1CC1C 7a_100000744939_100000233755 [1,0,0,1,0,0|1,0,1]=4 12847 B10R1.56 CSCCOCC1CC1C 34a_100000744939_100000212216 [1,0,0,1,0,0|1,0,1]=4 12848 B10R1.56 CSCCOCC1CC1C 7a_100000744939_100000212216 [1,0,0,1,0,0|1,0,1]=4 12849 B10R1.61 CC(C)[C@H]1COCCN1C 2230a_100025712635_200000210301 [1,0,0,1,0,0|1,0,1]=4 12850 B10R1.61 CC(C)[C@H]1COCCN1C 269982a_100025712635_200000210301 [1,0,0,1,0,0|1,0,1]=4 12851 B10R1.61 CC(C)[C@H]1COCCN1C 34a_100025712635_200000210301 [1,0,0,1,0,0|1,0,1]=4 12852 B10R1.61 CC(C)[C@H]1COCCN1[13CH3] 2230a_100025712635_200025704644 [1,0,0,1,0,0|1,0,1]=4 12853 B10R1.61 CC(C)[C@H]1COCCN1[13CH3] 269982a_100025712635_200025704644 [1,0,0,1,0,0|1,0,1]=4 12854 B10R1.61 CC(C)[C@H]1COCCN1[13CH3] 34a_100025712635_200025704644 [1,0,0,1,0,0|1,0,1]=4 12855 B10R1.64 CC(C)CN1CCC[C@@H]1C 2230a_100020605311_100000210760 [1,0,0,1,0,0|2,0,0]=4 12856 B10R1.64 CC(C)CN1CCC[C@@H]1C 269982a_100020605311_100000210624 [1,0,0,1,0,0|2,0,0]=4 12857 B10R1.64 CC(C)CN1CCC[C@@H]1C 270004a_100020605311_100000210432 [1,0,0,1,0,0|2,0,0]=4 12858 B10R1.64 CC(C)CN1CCC[C@H]1C 2230a_100015189458_100000210760 [1,0,0,1,0,0|2,0,0]=4 12859 B10R1.64 CC(C)CN1CCC[C@H]1C 269982a_100015189458_100000210624 [1,0,0,1,0,0|2,0,0]=4 12860 B10R1.64 CC(C)CN1CCC[C@H]1C 270004a_100015189458_100000210432 [1,0,0,1,0,0|2,0,0]=4 12861 B10R1.64 CC(C)CN1CCC[C@H]1C 34a_100015189458_100000210624 [1,0,0,1,0,0|2,0,0]=4 12862 B10R1.66 CC(C)CCN1CCCC1 2230a_100000188435_100000210312 [1,0,0,1,0,0|1,0,1]=4 12863 B10R1.66 CC(C)CCN1CCCC1 269982a_100000188435_100000210312 [1,0,0,1,0,0|1,0,1]=4 12864 B10R1.66 CC(C)CNC1CCCC1 2230a_100000210953_100000179811 [1,0,0,1,0,0|2,0,0]=4 12865 B10R1.66 CC(C)CNC1CCCC1 2230a_100000211070_100000210760 [1,0,0,1,0,0|2,0,0]=4 12866 B10R1.66 CC(C)CNC1CCCC1 270004a_100000210953_100000210133 [1,0,0,1,0,0|2,0,0]=4 12867 B10R1.66 CC(C)CNC1CCCC1 270004a_100000211070_100000210432 [1,0,0,1,0,0|2,0,0]=4 12868 B10R1.66 CC(C)CNC1CCCC1 34a_100000210953_100000179811 [1,0,0,1,0,0|2,0,0]=4 12869 B10R1.66 CC(C)CNC1CCCC1 34a_100000211070_100000210624 [1,0,0,1,0,0|2,0,0]=4 12870 B10R1.66 CC(C)COC1CCCC1 34a_100000210257_100000179811 [1,0,0,1,0,0|2,0,0]=4 12871 B10R1.66 CC(C)COC1CCCC1 34a_100000210269_100000210624 [1,0,0,1,0,0|2,0,0]=4 12872 B10R1.66 CC(C)COC1CCCC1 7a_100000210269_100000210760 [1,0,0,1,0,0|2,0,0]=4 12873 B10R1.66 CC(C)CSC1CCCC1 62a_100000210624_100000179811 [1,0,0,1,0,0|2,0,0]=4 12874 B10R1.66 CC(C)CSC1CCCC1 62a_100011217020_100000210760 [1,0,0,1,0,0|2,0,0]=4 12875 B10R1.73 CC(C)COCC1CC1C 34a_100000744939_100000210624 [1,0,0,1,0,0|2,0,0]=4 12876 B10R1.73 CC(C)COCC1CC1C 7a_100000744939_100000210760 [1,0,0,1,0,0|2,0,0]=4 12877 B10R1.117 CC(C)CCN1CCC1C 269982a_100000755817_100000210312 [1,0,0,1,0,0|1,0,1]=4 12878 B10R1.117 CC(C)CCN1CCC1C 34a_100000755817_100000210312 [1,0,0,1,0,0|1,0,1]=4 12879 B10R1.126 CC(Br)CCOCC1CC1 34a_100009893172_100000742324 [1,0,0,1,0,0|1,0,1]=4 12880 B10R1.126 CC(C)CC=NNC1CC1 4a_100000701032_100000185833 [1,0,0,1,0,0|2,0,0]=4 12881 B10R1.126 CC(C)CCNCC1CC1 2230a_100000735609_100000210312 [1,0,0,1,0,0|1,0,1]=4 12882 B10R1.126 CC(C)CCNCC1CC1 269862a_100000210545_100000741477 [1,0,0,1,0,0|1,0,1]=4 12883 B10R1.126 CC(C)CCNCC1CC1 34a_100000735609_100000210312 [1,0,0,1,0,0|1,0,1]=4 12884 B10R1.126 CC(C)CCOCC1CC1 34a_100000210254_100000742324 [1,0,0,1,0,0|0,0,1]=3 12885 B10R1.126 CC(C)CCOCC1CC1 34a_100000211283_100000210312 [1,0,0,1,0,0|0,0,1]=3 12886 B10R1.126 CC(C)CCOCC1CC1 7a_100000210254_100000742324 [1,0,0,1,0,0|0,0,1]=3 12887 B10R1.126 CC(C)CCOCC1CO1 34a_100000210254_102125554688 [1,0,0,1,0,0|1,0,1]=4 12888 B10R1.126 CC(C)CCOCC1CO1 7a_100000210254_102125554688 [1,0,0,1,0,0|1,0,1]=4 12889 B10R1.126 CC(C)CCOCC1CS1 7a_100000210254_100000031435 [1,0,0,1,0,0|1,0,1]=4 12890 B10R1.126 CC(C)CCOC[C@@H]1CO1 34a_100000757423_100000210312 [1,0,0,1,0,0|1,0,1]=4 12891 B10R1.126 CC(C)CCOC[C@@H]1CO1 7a_100000210254_100000745022 [1,0,0,1,0,0|1,0,1]=4 12892 B10R1.126 CC(C)CCSCC1CC1 62a_100000210312_100000742324 [1,0,0,1,0,0|0,1,1]=4 12893 B10R1.126 CC(C)CCSCC1CC1 62a_100000756562_100000210312 [1,0,0,1,0,0|0,1,1]=4 12894 B10R1.126 CC(C)CNCCC1CC1 2230a_100000210953_100000694398 [1,0,0,1,0,0|2,0,0]=4 12895 B10R1.126 CC(C)CNCCC1CC1 270004a_100000764129_100000210432 [1,0,0,1,0,0|2,0,0]=4 12896 B10R1.126 CC(C)CNCCC1CC1 34a_100000210953_100000694398 [1,0,0,1,0,0|2,0,0]=4 12897 B10R1.126 CC(C)CNCCC1CC1 34a_100000764129_100000210624 [1,0,0,1,0,0|2,0,0]=4 12898 B10R1.126 CC(C)COCCC1CC1 34a_100000210257_100000694398 [1,0,0,1,0,0|2,0,0]=4 12899 B10R1.126 CC(C)COCCC1CC1 34a_100000754188_100000210624 [1,0,0,1,0,0|2,0,0]=4 12900 B10R1.126 CC(C)COCCC1CC1 7a_100000754188_100000210760 [1,0,0,1,0,0|2,0,0]=4 12901 B10R1.126 CC(C)CSCCC1CC1 62a_100000210624_100000764125 [1,0,0,1,0,0|2,0,0]=4 12902 B10R1.126 CC(C)CSCCC1CC1 62a_100000764125_100000210760 [1,0,0,1,0,0|2,0,0]=4 12903 B10R1.126 CC(C)OCOCC1CC1 34a_100000211283_100000709892 [1,0,0,1,0,0|1,0,1]=4 12904 B10R1.126 CC(O)CCOCC1CC1 34a_100000211283_100012276601 [1,0,0,1,0,0|1,0,1]=4 12905 B10R1.126 C[C@@H](N)CCOCC1CC1 34a_100000706166_100000742324 [1,0,0,1,0,0|1,0,1]=4 12906 B10R1.127 CC(Br)CCOC1CCC1 34a_100009893172_100000749161 [1,0,0,1,0,0|1,0,1]=4 12907 B10R1.127 CC(C)CCNC1CCC1 2230a_100000749019_100000210312 [1,0,0,1,0,0|1,0,1]=4 12908 B10R1.127 CC(C)CCNC1CCC1 269862a_100000749019_100000185833 [1,0,0,1,0,0|1,0,1]=4 12909 B10R1.127 CC(C)CCNC1CCC1 270004a_100000210545_100000241760 [1,0,0,1,0,0|1,0,1]=4 12910 B10R1.127 CC(C)CCNC1CCC1 34a_100000749019_100000210312 [1,0,0,1,0,0|1,0,1]=4 12911 B10R1.127 CC(C)CCOC1CCC1 34a_100000210254_100000749161 [1,0,0,1,0,0|0,0,1]=3 12912 B10R1.127 CC(C)CCOC1CCC1 34a_100000748187_100000210312 [1,0,0,1,0,0|0,0,1]=3 12913 B10R1.127 CC(C)CCOC1COC1 34a_100000210254_100009818527 [1,0,0,1,0,0|1,0,1]=4 12914 B10R1.127 CC(C)CCOC1COC1 7a_100000210254_100009818527 [1,0,0,1,0,0|1,0,1]=4 12915 B10R1.127 CC(C)CCOC1CSC1 7a_100000072292_100000210626 [1,0,0,1,0,0|1,0,1]=4 12916 B10R1.127 CC(C)CCSC1CCC1 62a_100000210312_100000749161 [1,0,0,1,0,0|0,1,1]=4 12917 B10R1.127 CC(C)CNCC1CCC1 2230a_100000210953_100000763275 [1,0,0,1,0,0|2,0,0]=4 12918 B10R1.127 CC(C)CNCC1CCC1 2230a_100000738700_100000210760 [1,0,0,1,0,0|2,0,0]=4 12919 B10R1.127 CC(C)CNCC1CCC1 269862a_100000210953_100000753134 [1,0,0,1,0,0|2,0,0]=4 12920 B10R1.127 CC(C)CNCC1CCC1 270004a_100000738700_100000210432 [1,0,0,1,0,0|2,0,0]=4 12921 B10R1.127 CC(C)CNCC1CCC1 34a_100000210953_100000763275 [1,0,0,1,0,0|2,0,0]=4 12922 B10R1.127 CC(C)CNCC1CCC1 34a_100000738700_100000210624 [1,0,0,1,0,0|2,0,0]=4 12923 B10R1.127 CC(C)COCC1CCC1 34a_100000210257_100000763275 [1,0,0,1,0,0|2,0,0]=4 12924 B10R1.127 CC(C)COCC1CCC1 34a_100000760304_100000210624 [1,0,0,1,0,0|2,0,0]=4 12925 B10R1.127 CC(C)CSCC1CCC1 62a_100000210624_100000763275 [1,0,0,1,0,0|2,0,0]=4 12926 B10R1.127 CC(C)CSCC1CCC1 62a_100000763275_100000210760 [1,0,0,1,0,0|2,0,0]=4 12927 B10R1.127 CC(C)OCOC1CCC1 34a_100000748187_100000709892 [1,0,0,1,0,0|1,0,1]=4 12928 B10R1.127 CC(O)CCOC1CCC1 34a_100000748187_100012276601 [1,0,0,1,0,0|1,0,1]=4 12929 B10R1.127 C[C@@H](N)CCOC1CCC1 34a_100000706166_100000749161 [1,0,0,1,0,0|1,0,1]=4 12930 B10R1.177 BrCCCOCCC1CC1 34a_100011217188_100000694398 [1,0,0,1,0,0|1,0,1]=4 12931 B10R1.177 CCCCCNCC1CC1 2230a_100000209983_100000742324 [1,0,0,1,0,0|2,0,0]=4 12932 B10R1.177 CCCCCNCC1CC1 2230a_100000735609_100000210326 [1,0,0,1,0,0|2,0,0]=4 12933 B10R1.177 CCCCCNCC1CC1 269862a_100000209983_100000741477 [1,0,0,1,0,0|2,0,0]=4 12934 B10R1.177 CCCCCNCC1CC1 34a_100000735609_100000718602 [1,0,0,1,0,0|2,0,0]=4 12935 B10R1.177 CCCCCOCC1CC1 34a_100000210253_100000742324 [1,0,0,1,0,0|2,0,0]=4 12936 B10R1.177 CCCCCOCC1CC1 34a_100000211283_100000718602 [1,0,0,1,0,0|2,0,0]=4 12937 B10R1.177 CCCCCOCC1CC1 7a_100000210253_100000742324 [1,0,0,1,0,0|2,0,0]=4 12938 B10R1.177 CCCCCSCC1CC1 62a_100000210326_100000742324 [1,0,0,1,0,0|2,0,0]=4 12939 B10R1.177 CCCCCSCC1CC1 62a_100000756562_100000210326 [1,0,0,1,0,0|2,0,0]=4 12940 B10R1.177 CCCCNCCC1CC1 2230a_100000102301_100000694398 [1,0,0,1,0,0|1,0,1]=4 12941 B10R1.177 CCCCNCCC1CC1 34a_100000764129_100000210210 [1,0,0,1,0,0|1,0,1]=4 12942 B10R1.177 CCCCNCCC1CC1 7a_106832991798_100000764125 [1,0,0,1,0,0|1,0,1]=4 12943 B10R1.177 CCCCOCCC1CC1 34a_100000210227_100000694398 [1,0,0,1,0,0|0,0,1]=3 12944 B10R1.177 CCCCOCCC1CC1 34a_100000754188_100000210210 [1,0,0,1,0,0|0,0,1]=3 12945 B10R1.177 CCCCOCCC1CC1 7a_100000210227_100000764125 [1,0,0,1,0,0|0,0,1]=3 12946 B10R1.177 CCCCOCCC1CC1 7a_100000754188_100000210211 [1,0,0,1,0,0|0,0,1]=3 12947 B10R1.177 CCCCOCCC1CO1 34a_100000210227_100000732470 [1,0,0,1,0,0|1,0,1]=4 12948 B10R1.177 CCCCOCCC1CO1 7a_100000210227_100000732470 [1,0,0,1,0,0|1,0,1]=4 12949 B10R1.177 CCCCOCC[C@@H]1CO1 34a_100009820653_100000210210 [1,0,0,1,0,0|1,0,1]=4 12950 B10R1.177 CCCCOCNC1CC1 34a_100000212008_100011995733 [1,0,0,1,0,0|1,0,1]=4 12951 B10R1.177 CCCCOCSC1CC1 62a_100011995733_100000211595 [1,0,0,1,0,0|1,0,1]=4 12952 B10R1.177 CCCCSCCC1CC1 62a_100000210211_100000764125 [1,0,0,1,0,0|0,1,1]=4 12953 B10R1.177 CCCCSCCC1CC1 62a_100000764125_100000210210 [1,0,0,1,0,0|0,1,1]=4 12954 B10R1.177 COCCOCCC1CC1 34a_100000210237_100000694398 [1,0,0,1,0,0|1,0,1]=4 12955 B10R1.177 COCCOCCC1CC1 34a_100000754188_100011201679 [1,0,0,1,0,0|1,0,1]=4 12956 B10R1.177 COCCOCCC1CC1 7a_100000754188_100000233755 [1,0,0,1,0,0|1,0,1]=4 12957 B10R1.177 CSCCOCCC1CC1 34a_100000230434_100000694398 [1,0,0,1,0,0|1,0,1]=4 12958 B10R1.177 CSCCOCCC1CC1 34a_100000754188_100000212216 [1,0,0,1,0,0|1,0,1]=4 12959 B10R1.177 CSCCOCCC1CC1 7a_100000230434_100000764125 [1,0,0,1,0,0|1,0,1]=4 12960 B10R1.177 CSCCOCCC1CC1 7a_100000754188_100000212216 [1,0,0,1,0,0|1,0,1]=4 12961 B10R1.177 ClCCCOCCC1CC1 34a_100000230001_100000694398 [1,0,0,1,0,0|1,0,1]=4 12962 B10R1.177 FCCCOCCC1CC1 34a_100000754188_100011934791 [1,0,0,1,0,0|1,0,1]=4 12963 B10R1.177 FCCCOCCC1CC1 34a_100000759539_100000694398 [1,0,0,1,0,0|1,0,1]=4 12964 B10R1.177 FCCCOCCC1CC1 7a_100000754188_100011934791 [1,0,0,1,0,0|1,0,1]=4 12965 B10R1.177 NCCCOCCC1CC1 34a_100000182051_100000694398 [1,0,0,1,0,0|1,0,1]=4 12966 B10R1.177 OCCCOCCC1CC1 34a_100000754188_100000230001 [1,0,0,1,0,0|1,0,1]=4 12967 B10R1.177 OCCCOCCC1CC1 7a_100000754188_100011215043 [1,0,0,1,0,0|1,0,1]=4 12968 B10R1.54 CC(C)CN1CC[C@H](C1)C 2230a_100016987628_100000210760 [1,0,0,1,0,0|2,0,0]=4 12969 B10R1.54 CC(C)CN1CC[C@H](C1)C 269982a_100016987628_100000210624 [1,0,0,1,0,0|2,0,0]=4 12970 B10R1.54 CC(C)CN1CC[C@H](C1)C 270004a_100016987628_100000210432 [1,0,0,1,0,0|2,0,0]=4 12971 B10R1.54 CC(C)CN1CC[C@H](C1)C 34a_100016987628_100000210624 [1,0,0,1,0,0|2,0,0]=4 12972 B10R1.110 C=C(C)CC(=O)C1CC1C 1458a_100000211227_100000748629 [1,0,0,1,0,0|0,0,2]=4 12973 B10R1.110 CC(C)CC(=O)C1CC1C 1458a_100000211227_100000210624 [1,0,0,1,0,0|0,0,0]=2 12974 B10R1.110 CC(C)CC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100000210624 [1,0,0,1,0,0|1,0,0]=3 12975 B10R1.110 CC(C)NC(=O)C1CC1C 11a_100138425928_100000211227 [1,0,0,1,0,0|1,0,0]=3 12976 B10R1.110 CC(C)NC(=O)C1CC1C 1626a_100138425928_100000211227 [1,0,0,1,0,0|1,0,0]=3 12977 B10R1.110 CC(C)NC(=O)C1CC1C 527a_100138425928_100000211227 [1,0,0,1,0,0|1,0,0]=3 12978 B10R1.110 CC(C)NC(=O)[C@@H]1C[C@@H]1F 11a_100138425928_100015396687 [1,0,0,1,0,0|2,0,0]=4 12979 B10R1.110 CC(C)NC(=O)[C@@H]1C[C@@H]1F 240690a_100138425928_100015396687 [1,0,0,1,0,0|2,0,0]=4 12980 B10R1.110 CC(C)NC(=O)[C@@H]1C[C@@H]1F 527a_100138425928_100015396687 [1,0,0,1,0,0|2,0,0]=4 12981 B10R1.110 CC(O)CC(=O)C1CC1C 1458a_100000211227_100011218427 [1,0,0,1,0,0|1,0,0]=3 12982 B10R1.110 CC(O)CC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100011218427 [1,0,0,1,0,0|2,0,0]=4 12983 B10R1.110 CC1CC1C(=O)CC(F)F 1458a_100000211227_100011934356 [1,0,0,1,0,0|2,0,0]=4 12984 B10R1.130 CCNC1CC(OC1=O)C 2230a_100015525214_200000216747 [1,0,0,1,0,0|2,0,0]=4 12985 B10R1.130 CCOC1CC(OC1=O)C 34a_100121572206_200000216747 [1,0,0,1,0,0|2,0,0]=4 12986 B10R1.130 CCSC1CC(OC1=O)C 62a_100000210202_200000216747 [1,0,0,1,0,0|2,0,0]=4 12987 B10R1.130 CCSC1CC(OC1=O)C 62a_200000216747_100000210202 [1,0,0,1,0,0|2,0,0]=4 12988 B10R1.168 CCC1CN(C1)CC(C)C 2230a_100015205115_100000210760 [1,0,0,1,0,0|2,0,0]=4 12989 B10R1.168 CCC1CN(C1)CC(C)C 269982a_100015205115_100000210624 [1,0,0,1,0,0|2,0,0]=4 12990 B10R1.168 CCC1CN(C1)CC(C)C 270004a_100015205115_100000210432 [1,0,0,1,0,0|2,0,0]=4 12991 B10R1.180 C#CCCC(=O)CC1CC1 1458a_100000692101_100000742324 [1,0,0,1,0,0|0,0,2]=4 12992 B10R1.180 C#CCCC(=O)CC1CC1 1458a_100000738066_100000753159 [1,0,0,1,0,0|0,0,2]=4 12993 B10R1.180 C/C=C/CC(=O)CC1CC1 1458a_100000738066_100102629194 [1,0,0,1,0,0|0,0,2]=4 12994 B10R1.180 C=CCCC(=O)CC1CC1 1458a_100000738066_100000754431 [1,0,0,1,0,0|0,0,2]=4 12995 B10R1.180 C=CCCC(=O)CC1CC1 1458a_100000749702_100000742324 [1,0,0,1,0,0|0,0,2]=4 12996 B10R1.180 CC#CCC(=O)CC1CC1 1458a_100000738066_100000748600 [1,0,0,1,0,0|0,0,2]=4 12997 B10R1.180 CC=CCC(=O)CC1CC1 1458a_100000738066_100000070051 [1,0,0,1,0,0|0,0,2]=4 12998 B10R1.180 CC=CCC(=O)CC1CC1 1458a_100121576822_100000742324 [1,0,0,1,0,0|0,0,2]=4 12999 B10R1.180 CCC#CC(=O)CC1CC1 1458a_100011827653_100000742324 [1,0,0,1,0,0|0,0,2]=4 13000 B10R1.180 CCC=CC(=O)CC1CC1 1458a_100000212282_100000742324 [1,0,0,1,0,0|0,0,2]=4 13001 B10R1.180 CCCCC(=O)CC1CC1 1458a_100000210183_100000742324 [1,0,0,1,0,0|0,0,0]=2 13002 B10R1.180 CCCCC(=O)CC1CC1 1458a_100000738066_100000210211 [1,0,0,1,0,0|0,0,0]=2 13003 B10R1.180 CCCCC(=O)CC1CO1 1458a_100000210183_100011216344 [1,0,0,1,0,0|1,0,0]=3 13004 B10R1.180 CCCCC(=O)CC1CS1 1458a_100000210183_100000031435 [1,0,0,1,0,0|1,0,0]=3 13005 B10R1.180 CCCCC(=O)C[C@@H]1CO1 1458a_100000210183_100000745022 [1,0,0,1,0,0|1,0,0]=3 13006 B10R1.180 CCCCC(=O)NC1CC1 1626a_100000212008_100000210183 [1,0,0,1,0,0|1,0,0]=3 13007 B10R1.180 CCCCC(=O)NC1CC1 240690a_100000212008_100000210183 [1,0,0,1,0,0|1,0,0]=3 13008 B10R1.180 CCCCC(=O)NC1CC1 527a_100000212008_100000210183 [1,0,0,1,0,0|1,0,0]=3 13009 B10R1.180 CCCCN(C)CC1CC1 2230a_100000207549_100000742324 [1,0,0,1,0,0|2,0,0]=4 13010 B10R1.180 CCCCN(C)CC1CC1 2230a_100000741881_100000210211 [1,0,0,1,0,0|2,0,0]=4 13011 B10R1.180 CCCCN(C)CC1CC1 269982a_100000207549_100000756562 [1,0,0,1,0,0|2,0,0]=4 13012 B10R1.180 CCCCN(C)CC1CC1 269982a_100000741881_100000210211 [1,0,0,1,0,0|2,0,0]=4 13013 B10R1.180 CCCNC(=O)CC1CC1 11a_100020643023_100000738066 [1,0,0,1,0,0|1,0,0]=3 13014 B10R1.180 CCCNC(=O)CC1CC1 1626a_100020643023_100000738066 [1,0,0,1,0,0|1,0,0]=3 13015 B10R1.180 CCCNC(=O)CC1CC1 240690a_100020643023_100000738066 [1,0,0,1,0,0|1,0,0]=3 13016 B10R1.180 CCCNC(=O)CC1CC1 527a_100020643023_100000738066 [1,0,0,1,0,0|1,0,0]=3 13017 B10R1.180 CCCNC(=O)NC1CC1 2708a_100000212008_100020643023 [1,0,0,1,0,0|2,0,0]=4 13018 B10R1.180 CCCNC(=O)NC1CC1 2708a_100020643023_100000212008 [1,0,0,1,0,0|2,0,0]=4 13019 B10R1.180 CCCNC(=O)NC1CC1 273464a_100000212008_100020643023 [1,0,0,1,0,0|2,0,0]=4 13020 B10R1.180 CCCNC(=O)NC1CC1 273464a_100020643023_100000212008 [1,0,0,1,0,0|2,0,0]=4 13021 B10R1.180 CCCNC(=O)NC1CC1 512a_100000212008_100020643023 [1,0,0,1,0,0|2,0,0]=4 13022 B10R1.180 CCNCC(=O)NC1CC1 2230a_100000702991_100000210202 [1,0,0,1,0,0|2,0,0]=4 13023 B10R1.180 CCNCC(=O)NC1CC1 2230a_100015525214_100000182950 [1,0,0,1,0,0|2,0,0]=4 13024 B10R1.180 CCNNC(=O)CC1CC1 22a_100000756455_100000738066 [1,0,0,1,0,0|2,0,0]=4 13025 B10R1.180 CCOCC(=O)CC1CC1 1458a_100000211967_100000742324 [1,0,0,1,0,0|1,0,0]=3 13026 B10R1.180 CCOCC(=O)CC1CO1 1458a_100000211967_100011216344 [1,0,0,1,0,0|2,0,0]=4 13027 B10R1.180 CCOCC(=O)CC1CS1 1458a_100000211967_100000031435 [1,0,0,1,0,0|2,0,0]=4 13028 B10R1.180 CCOCC(=O)C[C@@H]1CO1 1458a_100000211967_100000745022 [1,0,0,1,0,0|2,0,0]=4 13029 B10R1.180 CCOCC(=O)NC1CC1 1626a_100000212008_100000211967 [1,0,0,1,0,0|2,0,0]=4 13030 B10R1.180 CCOCC(=O)NC1CC1 240690a_100000212008_100000211967 [1,0,0,1,0,0|2,0,0]=4 13031 B10R1.180 CCOCC(=O)NC1CC1 34a_100121572206_100000182950 [1,0,0,1,0,0|2,0,0]=4 13032 B10R1.180 CCOCC(=O)NC1CC1 527a_100000212008_100000211967 [1,0,0,1,0,0|2,0,0]=4 13033 B10R1.180 CCSCC(=O)CC1CC1 1458a_100000230394_100000742324 [1,0,0,1,0,0|1,0,0]=3 13034 B10R1.180 CCSCC(=O)CC1CO1 1458a_100000230394_100011216344 [1,0,0,1,0,0|2,0,0]=4 13035 B10R1.180 CCSCC(=O)CC1CS1 1458a_100000230394_100000031435 [1,0,0,1,0,0|2,0,0]=4 13036 B10R1.180 CCSCC(=O)C[C@@H]1CO1 1458a_100000230394_100000745022 [1,0,0,1,0,0|2,0,0]=4 13037 B10R1.180 CCSCC(=O)NC1CC1 1626a_100000212008_100000230394 [1,0,0,1,0,0|2,0,0]=4 13038 B10R1.180 CCSCC(=O)NC1CC1 240690a_100000212008_100000230394 [1,0,0,1,0,0|2,0,0]=4 13039 B10R1.180 CCSCC(=O)NC1CC1 527a_100000212008_100000230394 [1,0,0,1,0,0|2,0,0]=4 13040 B10R1.180 CCSCC(=O)NC1CC1 62a_100000182950_100000210202 [1,0,0,1,0,0|2,0,0]=4 13041 B10R1.180 CCSCC(=O)NC1CC1 62a_100000210202_100000182950 [1,0,0,1,0,0|2,0,0]=4 13042 B10R1.180 CNCCC(=O)NC1CC1 2230a_106832991635_100000737409 [1,0,0,1,0,0|2,0,0]=4 13043 B10R1.180 CNCCC(=O)NC1CC1 34a_100102657272_100000737409 [1,0,0,1,0,0|2,0,0]=4 13044 B10R1.180 COCCC(=O)CC1CC1 1458a_100000738066_100000233755 [1,0,0,1,0,0|1,0,0]=3 13045 B10R1.180 COCCC(=O)CC1CC1 1458a_100000749529_100000742324 [1,0,0,1,0,0|1,0,0]=3 13046 B10R1.180 COCCC(=O)CC1CO1 1458a_100000749529_100011216344 [1,0,0,1,0,0|2,0,0]=4 13047 B10R1.180 COCCC(=O)CC1CS1 1458a_100000749529_100000031435 [1,0,0,1,0,0|2,0,0]=4 13048 B10R1.180 COCCC(=O)C[C@@H]1CO1 1458a_100000749529_100000745022 [1,0,0,1,0,0|2,0,0]=4 13049 B10R1.180 COCCC(=O)NC1CC1 1626a_100000212008_100000749529 [1,0,0,1,0,0|2,0,0]=4 13050 B10R1.180 COCCC(=O)NC1CC1 240690a_100000212008_100000749529 [1,0,0,1,0,0|2,0,0]=4 13051 B10R1.180 COCCC(=O)NC1CC1 34a_100138415774_100000737409 [1,0,0,1,0,0|2,0,0]=4 13052 B10R1.180 COCCC(=O)NC1CC1 527a_100000212008_100000749529 [1,0,0,1,0,0|2,0,0]=4 13053 B10R1.180 CSCCC(=O)CC1CC1 1458a_100000174002_100000742324 [1,0,0,1,0,0|1,0,0]=3 13054 B10R1.180 CSCCC(=O)CC1CC1 1458a_100000738066_100000751147 [1,0,0,1,0,0|1,0,0]=3 13055 B10R1.180 CSCCC(=O)CC1CO1 1458a_100000174002_100011216344 [1,0,0,1,0,0|2,0,0]=4 13056 B10R1.180 CSCCC(=O)CC1CS1 1458a_100000174002_100000031435 [1,0,0,1,0,0|2,0,0]=4 13057 B10R1.180 CSCCC(=O)C[C@@H]1CO1 1458a_100000174002_100000745022 [1,0,0,1,0,0|2,0,0]=4 13058 B10R1.180 CSCCC(=O)NC1CC1 1626a_100000212008_100000174002 [1,0,0,1,0,0|2,0,0]=4 13059 B10R1.180 CSCCC(=O)NC1CC1 240690a_100000212008_100000174002 [1,0,0,1,0,0|2,0,0]=4 13060 B10R1.180 CSCCC(=O)NC1CC1 527a_100000212008_100000174002 [1,0,0,1,0,0|2,0,0]=4 13061 B10R1.180 CSCCC(=O)NC1CC1 62a_100000737409_200000210301 [1,0,0,1,0,0|2,0,0]=4 13062 B10R1.180 CSCCC(=O)NC1CC1 62a_200000210301_100000737409 [1,0,0,1,0,0|2,0,0]=4 13063 B10R1.180 N#CCCC(=O)CC1CC1 1458a_100000738066_100011215226 [1,0,0,1,0,0|1,0,1]=4 13064 B10R1.180 N#CCCC(=O)CC1CC1 1458a_100011934036_100000742324 [1,0,0,1,0,0|1,0,1]=4 13065 B10R1.180 O=C(CC1CC1)NCCF 11a_100000724931_100000738066 [1,0,0,1,0,0|2,0,0]=4 13066 B10R1.180 O=C(CC1CC1)NCCF 1626a_100000724931_100000738066 [1,0,0,1,0,0|2,0,0]=4 13067 B10R1.180 O=C(CC1CC1)NCCF 240690a_100000724931_100000738066 [1,0,0,1,0,0|2,0,0]=4 13068 B10R1.180 O=C(CC1CC1)NCCF 527a_100000724931_100000738066 [1,0,0,1,0,0|2,0,0]=4 13069 B10R1.180 O=C(CC1CC1)NCCO 240690a_100000210304_100000738066 [1,0,0,1,0,0|2,0,0]=4 13070 B10R1.180 O=C(CC1CC1)NCCO 527a_100000210304_100000738066 [1,0,0,1,0,0|2,0,0]=4 13071 B10R1.180 O=C(CCCF)CC1CC1 1458a_100000738066_100011934791 [1,0,0,1,0,0|1,0,0]=3 13072 B10R1.180 O=C(CCCO)CC1CC1 1458a_100000738066_100011215043 [1,0,0,1,0,0|1,0,0]=3 13073 B10R1.180 [13CH3]SCCC(=O)NC1CC1 62a_100000737409_200025704644 [1,0,0,1,0,0|2,0,0]=4 13074 B10R1.180 [13CH3]SCCC(=O)NC1CC1 62a_200025704644_100000737409 [1,0,0,1,0,0|2,0,0]=4 13075 B10R1.218 CCCCN1CC(C1)(C)C 2230a_100000753659_100000210211 [1,0,0,1,0,0|2,0,0]=4 13076 B10R1.218 CCCCN1CC(C1)(C)C 269982a_100000753659_100000210211 [1,0,0,1,0,0|2,0,0]=4 13077 B10R1.266 C=C(C)CC(=O)C1CCC1 1458a_100000209988_100000748629 [1,0,0,1,0,0|0,0,2]=4 13078 B10R1.266 CC(=CC(=O)C1CCC1)C 1458a_100000211388_100000749161 [1,0,0,1,0,0|0,0,2]=4 13079 B10R1.266 CC(=O)CC(=O)C1CCC1 1458a_100000070787_100000686122 [1,0,0,1,0,0|1,0,1]=4 13080 B10R1.266 CC(C)CC(=O)C1CCC1 1458a_100000209988_100000210624 [1,0,0,1,0,0|0,0,0]=2 13081 B10R1.266 CC(C)CC(=O)C1CCC1 1458a_100000210554_100000749161 [1,0,0,1,0,0|0,0,0]=2 13082 B10R1.266 CC(C)CC(=O)C1CCO1 1458a_100000089072_100000210624 [1,0,0,1,0,0|1,0,0]=3 13083 B10R1.266 CC(C)CC(=O)C1COC1 1458a_100000210554_100000687716 [1,0,0,1,0,0|1,0,0]=3 13084 B10R1.266 CC(C)CC(=O)C1COC1 1458a_100000758290_100000210624 [1,0,0,1,0,0|1,0,0]=3 13085 B10R1.266 CC(C)CC(=O)N1CCC1 11a_100000754969_100000210554 [1,0,0,1,0,0|1,0,0]=3 13086 B10R1.266 CC(C)CC(=O)N1CCC1 240690a_100000754969_100000210554 [1,0,0,1,0,0|1,0,0]=3 13087 B10R1.266 CC(C)CC(=O)N1CCC1 527a_100000754969_100000210554 [1,0,0,1,0,0|1,0,0]=3 13088 B10R1.266 CC(C)CN(C)C1CCC1 2230a_100000758072_100000210760 [1,0,0,1,0,0|2,0,0]=4 13089 B10R1.266 CC(C)CN(C)C1CCC1 269982a_100000747067_100000749161 [1,0,0,1,0,0|2,0,0]=4 13090 B10R1.266 CC(C)CN(C)C1CCC1 269982a_100000758072_100000210624 [1,0,0,1,0,0|2,0,0]=4 13091 B10R1.266 CC(C)CN(C)C1CCC1 270004a_100000747067_100000241760 [1,0,0,1,0,0|2,0,0]=4 13092 B10R1.266 CC(C)CN(C)C1CCC1 270004a_100000758072_100000210432 [1,0,0,1,0,0|2,0,0]=4 13093 B10R1.266 CC(C)CN(C)C1CCC1 34a_100000758072_100000210624 [1,0,0,1,0,0|2,0,0]=4 13094 B10R1.266 CC(C)NC(=O)C1CCC1 11a_100138425928_100000209988 [1,0,0,1,0,0|1,0,0]=3 13095 B10R1.266 CC(C)NC(=O)C1CCC1 1626a_100138425928_100000209988 [1,0,0,1,0,0|1,0,0]=3 13096 B10R1.266 CC(C)NC(=O)C1CCC1 240690a_100138425928_100000209988 [1,0,0,1,0,0|1,0,0]=3 13097 B10R1.266 CC(C)NC(=O)C1CCC1 527a_100138425928_100000209988 [1,0,0,1,0,0|1,0,0]=3 13098 B10R1.266 CC(C)NC(=O)C1CCO1 11a_100138425928_100000089072 [1,0,0,1,0,0|2,0,0]=4 13099 B10R1.266 CC(C)NC(=O)C1CCO1 1626a_100138425928_100000089072 [1,0,0,1,0,0|2,0,0]=4 13100 B10R1.266 CC(C)NC(=O)C1CCO1 240690a_100138425928_100000089072 [1,0,0,1,0,0|2,0,0]=4 13101 B10R1.266 CC(C)NC(=O)C1CCO1 527a_100138425928_100000089072 [1,0,0,1,0,0|2,0,0]=4 13102 B10R1.266 CC(C)NC(=O)C1COC1 11a_100138425928_100000758290 [1,0,0,1,0,0|2,0,0]=4 13103 B10R1.266 CC(C)NC(=O)C1COC1 1626a_100138425928_100000758290 [1,0,0,1,0,0|2,0,0]=4 13104 B10R1.266 CC(C)NC(=O)C1COC1 240690a_100138425928_100000758290 [1,0,0,1,0,0|2,0,0]=4 13105 B10R1.266 CC(C)NC(=O)C1COC1 527a_100138425928_100000758290 [1,0,0,1,0,0|2,0,0]=4 13106 B10R1.266 CC(C)NC(=O)N1CCC1 2708a_100138425928_100000754969 [1,0,0,1,0,0|2,0,0]=4 13107 B10R1.266 CC(C)NC(=O)N1CCC1 273464a_100138425928_100000754969 [1,0,0,1,0,0|2,0,0]=4 13108 B10R1.266 CC(O)CC(=O)C1CCC1 1458a_100000209988_100011218427 [1,0,0,1,0,0|1,0,0]=3 13109 B10R1.266 CC(O)CC(=O)C1CCO1 1458a_100000089072_100011218427 [1,0,0,1,0,0|2,0,0]=4 13110 B10R1.266 CC(O)CC(=O)C1COC1 1458a_100000758290_100011218427 [1,0,0,1,0,0|2,0,0]=4 13111 B10R1.266 CN(C)CC(=O)C1CCC1 1458a_100000750896_100000749161 [1,0,0,1,0,0|1,0,0]=3 13112 B10R1.266 CN(C)CC(=O)C1CCC1 2230a_100102631434_100000686122 [1,0,0,1,0,0|1,0,0]=3 13113 B10R1.266 CN(C)CC(=O)C1CCC1 269982a_100102631434_100000686122 [1,0,0,1,0,0|1,0,0]=3 13114 B10R1.266 CN(C)CC(=O)C1COC1 1458a_100000750896_100000687716 [1,0,0,1,0,0|2,0,0]=4 13115 B10R1.266 CN(C)CC(=O)N1CCC1 11a_100000754969_100000750896 [1,0,0,1,0,0|2,0,0]=4 13116 B10R1.266 CN(C)CC(=O)N1CCC1 2230a_100102631434_100000185095 [1,0,0,1,0,0|2,0,0]=4 13117 B10R1.266 CN(C)CC(=O)N1CCC1 240690a_100000754969_100000750896 [1,0,0,1,0,0|2,0,0]=4 13118 B10R1.266 CN(C)CC(=O)N1CCC1 269982a_100102631434_100000185095 [1,0,0,1,0,0|2,0,0]=4 13119 B10R1.266 CN(C)CC(=O)N1CCC1 527a_100000754969_100000750896 [1,0,0,1,0,0|2,0,0]=4 13120 B10R1.266 C[C@@H](O)CC(=O)C1CCC1 1458a_100011933948_100000749161 [1,0,0,1,0,0|1,0,0]=3 13121 B10R1.266 C[C@@H](O)CC(=O)C1COC1 1458a_100011933948_100000687716 [1,0,0,1,0,0|2,0,0]=4 13122 B10R1.266 C[C@@H](O)CC(=O)N1CCC1 240690a_100000754969_100011933948 [1,0,0,1,0,0|2,0,0]=4 13123 B10R1.266 C[S+](C)CC(=O)C1CCC1 1458a_200159257847_100000749161 [1,0,0,1,0,0|1,0,0]=3 13124 B10R1.266 C[S+](C)CC(=O)C1COC1 1458a_200159257847_100000687716 [1,0,0,1,0,0|2,0,0]=4 13125 B10R1.266 C[S+](C)CC(=O)N1CCC1 11a_100000754969_200159257847 [1,0,0,1,0,0|2,0,0]=4 13126 B10R1.266 C[S+](C)CC(=O)N1CCC1 240690a_100000754969_200159257847 [1,0,0,1,0,0|2,0,0]=4 13127 B10R1.266 C[S+](C)CC(=O)N1CCC1 527a_100000754969_200159257847 [1,0,0,1,0,0|2,0,0]=4 13128 B10R1.266 O=C(CC(F)F)C1CCC1 1458a_100000209988_100011934356 [1,0,0,1,0,0|2,0,0]=4 13129 B10R1.268 C=C(C)CC(=O)CC1CC1 1458a_100000738066_100000748629 [1,0,0,1,0,0|0,0,2]=4 13130 B10R1.268 CC(=CC(=O)CC1CC1)C 1458a_100000211388_100000742324 [1,0,0,1,0,0|0,0,2]=4 13131 B10R1.268 CC(C)CC(=O)CC1CC1 1458a_100000210554_100000742324 [1,0,0,1,0,0|0,0,0]=2 13132 B10R1.268 CC(C)CC(=O)CC1CC1 1458a_100000738066_100000210624 [1,0,0,1,0,0|0,0,0]=2 13133 B10R1.268 CC(C)CC(=O)CC1CO1 1458a_100000210554_100011216344 [1,0,0,1,0,0|1,0,0]=3 13134 B10R1.268 CC(C)CC(=O)CC1CS1 1458a_100000210554_100000031435 [1,0,0,1,0,0|1,0,0]=3 13135 B10R1.268 CC(C)CC(=O)C[C@@H]1CO1 1458a_100000210554_100000745022 [1,0,0,1,0,0|1,0,0]=3 13136 B10R1.268 CC(C)CC(=O)NC1CC1 1626a_100000212008_100000210554 [1,0,0,1,0,0|1,0,0]=3 13137 B10R1.268 CC(C)CC(=O)NC1CC1 240690a_100000212008_100000210554 [1,0,0,1,0,0|1,0,0]=3 13138 B10R1.268 CC(C)CC(=O)NC1CC1 527a_100000212008_100000210554 [1,0,0,1,0,0|1,0,0]=3 13139 B10R1.268 CC(C)CC(C)OC1CC1 34a_100000211805_100000211595 [1,0,0,1,0,0|1,0,1]=4 13140 B10R1.268 CC(C)CN(C)CC1CC1 2230a_100000741881_100000210760 [1,0,0,1,0,0|2,0,0]=4 13141 B10R1.268 CC(C)CN(C)CC1CC1 2230a_100000747067_100000742324 [1,0,0,1,0,0|2,0,0]=4 13142 B10R1.268 CC(C)CN(C)CC1CC1 269982a_100000741881_100000210624 [1,0,0,1,0,0|2,0,0]=4 13143 B10R1.268 CC(C)CN(C)CC1CC1 269982a_100000747067_100000756562 [1,0,0,1,0,0|2,0,0]=4 13144 B10R1.268 CC(C)CN(C)CC1CC1 270004a_100000741881_100000210432 [1,0,0,1,0,0|2,0,0]=4 13145 B10R1.268 CC(C)NC(=O)CC1CC1 11a_100138425928_100000738066 [1,0,0,1,0,0|1,0,0]=3 13146 B10R1.268 CC(C)NC(=O)CC1CC1 1626a_100138425928_100000738066 [1,0,0,1,0,0|1,0,0]=3 13147 B10R1.268 CC(C)NC(=O)CC1CC1 240690a_100138425928_100000738066 [1,0,0,1,0,0|1,0,0]=3 13148 B10R1.268 CC(C)NC(=O)CC1CC1 527a_100138425928_100000738066 [1,0,0,1,0,0|1,0,0]=3 13149 B10R1.268 CC(C)NC(=O)NC1CC1 2708a_100000212008_100138425928 [1,0,0,1,0,0|2,0,0]=4 13150 B10R1.268 CC(C)NC(=O)NC1CC1 2708a_100138425928_100000212008 [1,0,0,1,0,0|2,0,0]=4 13151 B10R1.268 CC(C)NC(=O)NC1CC1 273464a_100138425928_100000212008 [1,0,0,1,0,0|2,0,0]=4 13152 B10R1.268 CC(C)NC(=O)NC1CC1 512a_100000212008_100138425928 [1,0,0,1,0,0|2,0,0]=4 13153 B10R1.268 CC(O)CC(=O)CC1CC1 1458a_100000738066_100011218427 [1,0,0,1,0,0|1,0,0]=3 13154 B10R1.268 CN(C)CC(=O)CC1CC1 1458a_100000750896_100000742324 [1,0,0,1,0,0|1,0,0]=3 13155 B10R1.268 CN(C)CC(=O)CC1CO1 1458a_100000750896_100011216344 [1,0,0,1,0,0|2,0,0]=4 13156 B10R1.268 CN(C)CC(=O)CC1CS1 1458a_100000750896_100000031435 [1,0,0,1,0,0|2,0,0]=4 13157 B10R1.268 CN(C)CC(=O)C[C@@H]1CO1 1458a_100000750896_100000745022 [1,0,0,1,0,0|2,0,0]=4 13158 B10R1.268 CN(C)CC(=O)NC1CC1 2230a_100102631434_100000182950 [1,0,0,1,0,0|2,0,0]=4 13159 B10R1.268 CN(C)CC(=O)NC1CC1 240690a_100000212008_100000750896 [1,0,0,1,0,0|2,0,0]=4 13160 B10R1.268 CN(C)CC(=O)NC1CC1 269982a_100102631434_100000182950 [1,0,0,1,0,0|2,0,0]=4 13161 B10R1.268 CN(C)CC(=O)NC1CC1 527a_100000212008_100000750896 [1,0,0,1,0,0|2,0,0]=4 13162 B10R1.268 C[C@@H](O)CC(=O)CC1CC1 1458a_100011933948_100000742324 [1,0,0,1,0,0|1,0,0]=3 13163 B10R1.268 C[C@@H](O)CC(=O)CC1CO1 1458a_100011933948_100011216344 [1,0,0,1,0,0|2,0,0]=4 13164 B10R1.268 C[C@@H](O)CC(=O)CC1CS1 1458a_100011933948_100000031435 [1,0,0,1,0,0|2,0,0]=4 13165 B10R1.268 C[C@@H](O)CC(=O)C[C@@H]1CO1 1458a_100011933948_100000745022 [1,0,0,1,0,0|2,0,0]=4 13166 B10R1.268 C[C@@H](O)CC(=O)NC1CC1 240690a_100000212008_100011933948 [1,0,0,1,0,0|2,0,0]=4 13167 B10R1.268 C[S+](C)CC(=O)CC1CC1 1458a_200159257847_100000742324 [1,0,0,1,0,0|1,0,0]=3 13168 B10R1.268 C[S+](C)CC(=O)CC1CO1 1458a_200159257847_100011216344 [1,0,0,1,0,0|2,0,0]=4 13169 B10R1.268 C[S+](C)CC(=O)CC1CS1 1458a_200159257847_100000031435 [1,0,0,1,0,0|2,0,0]=4 13170 B10R1.268 C[S+](C)CC(=O)C[C@@H]1CO1 1458a_200159257847_100000745022 [1,0,0,1,0,0|2,0,0]=4 13171 B10R1.268 C[S+](C)CC(=O)NC1CC1 1626a_100000212008_200159257847 [1,0,0,1,0,0|2,0,0]=4 13172 B10R1.268 C[S+](C)CC(=O)NC1CC1 240690a_100000212008_200159257847 [1,0,0,1,0,0|2,0,0]=4 13173 B10R1.268 C[S+](C)CC(=O)NC1CC1 527a_100000212008_200159257847 [1,0,0,1,0,0|2,0,0]=4 13174 B10R1.268 O=C(CC(F)F)CC1CC1 1458a_100000738066_100011934356 [1,0,0,1,0,0|2,0,0]=4 13175 B10R1.293 C#CCCC(=O)C1CC1C 1458a_100000211227_100000753159 [1,0,0,1,0,0|0,0,2]=4 13176 B10R1.293 C/C=C/CC(=O)C1CC1C 1458a_100000211227_100102629194 [1,0,0,1,0,0|0,0,2]=4 13177 B10R1.293 C=CCCC(=O)C1CC1C 1458a_100000211227_100000754431 [1,0,0,1,0,0|0,0,2]=4 13178 B10R1.293 CC#CCC(=O)C1CC1C 1458a_100000211227_100000748600 [1,0,0,1,0,0|0,0,2]=4 13179 B10R1.293 CC1CC1C(=O)CCC#N 1458a_100000211227_100011215226 [1,0,0,1,0,0|1,0,1]=4 13180 B10R1.293 CC1CC1C(=O)CCCF 1458a_100000211227_100011934791 [1,0,0,1,0,0|1,0,0]=3 13181 B10R1.293 CC1CC1C(=O)CCCO 1458a_100000211227_100011215043 [1,0,0,1,0,0|1,0,0]=3 13182 B10R1.293 CC1CC1C(=O)NCCF 11a_100000724931_100000211227 [1,0,0,1,0,0|2,0,0]=4 13183 B10R1.293 CC1CC1C(=O)NCCF 1626a_100000724931_100000211227 [1,0,0,1,0,0|2,0,0]=4 13184 B10R1.293 CC1CC1C(=O)NCCF 527a_100000724931_100000211227 [1,0,0,1,0,0|2,0,0]=4 13185 B10R1.293 CC1CC1C(=O)NCCO 527a_100000210304_100000211227 [1,0,0,1,0,0|2,0,0]=4 13186 B10R1.293 CC=CCC(=O)C1CC1C 1458a_100000211227_100000070051 [1,0,0,1,0,0|0,0,2]=4 13187 B10R1.293 CCCCC(=O)C1CC1C 1458a_100000211227_100000210211 [1,0,0,1,0,0|0,0,0]=2 13188 B10R1.293 CCCCC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100000210211 [1,0,0,1,0,0|1,0,0]=3 13189 B10R1.293 CCCNC(=O)C1CC1C 11a_100020643023_100000211227 [1,0,0,1,0,0|1,0,0]=3 13190 B10R1.293 CCCNC(=O)C1CC1C 1626a_100020643023_100000211227 [1,0,0,1,0,0|1,0,0]=3 13191 B10R1.293 CCCNC(=O)C1CC1C 527a_100020643023_100000211227 [1,0,0,1,0,0|1,0,0]=3 13192 B10R1.293 CCCNC(=O)[C@@H]1C[C@@H]1F 11a_100020643023_100015396687 [1,0,0,1,0,0|2,0,0]=4 13193 B10R1.293 CCCNC(=O)[C@@H]1C[C@@H]1F 240690a_100020643023_100015396687 [1,0,0,1,0,0|2,0,0]=4 13194 B10R1.293 CCCNC(=O)[C@@H]1C[C@@H]1F 527a_100020643023_100015396687 [1,0,0,1,0,0|2,0,0]=4 13195 B10R1.293 CCNNC(=O)C1CC1C 22a_100000756455_100000211227 [1,0,0,1,0,0|2,0,0]=4 13196 B10R1.293 COCCC(=O)C1CC1C 1458a_100000211227_100000233755 [1,0,0,1,0,0|1,0,0]=3 13197 B10R1.293 COCCC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100000233755 [1,0,0,1,0,0|2,0,0]=4 13198 B10R1.293 CSCCC(=O)C1CC1C 1458a_100000211227_100000751147 [1,0,0,1,0,0|1,0,0]=3 13199 B10R1.293 CSCCC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100000751147 [1,0,0,1,0,0|2,0,0]=4 13200 B10R1.293 O=C(CCCF)[C@@H]1C[C@@H]1F 1458a_100015396687_100011934791 [1,0,0,1,0,0|2,0,0]=4 13201 B10R1.293 O=C(CCCO)[C@@H]1C[C@@H]1F 1458a_100015396687_100011215043 [1,0,0,1,0,0|2,0,0]=4 13202 B10R1.11 CCCC(=O)C1=CCCC1 1458a_100000038896_100000210303 [1,0,0,1,0,0|1,0,1]=4 13203 B10R1.11 CCCC(=O)C1CCCC1 1458a_100000210718_100000210303 [1,0,0,1,0,0|1,0,0]=3 13204 B10R1.11 CCCC(=O)C1CCCC1 1458a_100000211992_100000179811 [1,0,0,1,0,0|1,0,0]=3 13205 B10R1.11 CCCC(=O)C1CCCS1 1458a_100012002731_100000210303 [1,0,0,1,0,0|2,0,0]=4 13206 B10R1.11 CCCC(=O)C1CCOC1 1458a_100000211992_100000690089 [1,0,0,1,0,0|2,0,0]=4 13207 B10R1.11 CCCC(=O)C1CCOC1 1458a_100011219752_100000210303 [1,0,0,1,0,0|2,0,0]=4 13208 B10R1.11 CCCC(=O)N1CCCC1 240690a_100000188435_100000211992 [1,0,0,1,0,0|1,0,0]=3 13209 B10R1.11 CCCC(=O)N1CCCC1 527a_100000188435_100000211992 [1,0,0,1,0,0|1,0,0]=3 13210 B10R1.11 CCCC(=O)N1CCSC1 11a_100011215254_100000211992 [1,0,0,1,0,0|2,0,0]=4 13211 B10R1.11 CCCC(=O)N1CCSC1 240690a_100011215254_100000211992 [1,0,0,1,0,0|2,0,0]=4 13212 B10R1.11 CCCC(=O)N1CCSC1 527a_100011215254_100000211992 [1,0,0,1,0,0|2,0,0]=4 13213 B10R1.11 CCCC(=O)[C@@H]1CCCO1 1458a_100000686382_100000210303 [1,0,0,1,0,0|2,0,0]=4 13214 B10R1.11 CCNC(=O)C1CCCC1 11a_100015525214_100000210718 [1,0,0,1,0,0|2,0,0]=4 13215 B10R1.11 CCNC(=O)C1CCCC1 240690a_100015525214_100000210718 [1,0,0,1,0,0|2,0,0]=4 13216 B10R1.11 CCNC(=O)C1CCCC1 527a_100015525214_100000210718 [1,0,0,1,0,0|2,0,0]=4 13217 B10R1.11 CCNC(=O)N1CCCC1 2708a_100015525214_100000188435 [1,0,0,1,0,0|2,0,0]=4 13218 B10R1.11 CCNC(=O)N1CCCC1 273464a_100015525214_100000188435 [1,0,0,1,0,0|2,0,0]=4 13219 B10R1.11 CNCC(=O)N1CCCC1 2230a_100000751844_200000210301 [1,0,0,1,0,0|2,0,0]=4 13220 B10R1.11 CNCC(=O)N1CCCC1 2230a_106832991635_100000183516 [1,0,0,1,0,0|2,0,0]=4 13221 B10R1.11 CNCC(=O)N1CCCC1 34a_100102657272_100000183516 [1,0,0,1,0,0|2,0,0]=4 13222 B10R1.11 CNCC(=O)N1CCCC1 7a_106832991635_100000183516 [1,0,0,1,0,0|2,0,0]=4 13223 B10R1.11 COCC(=O)C1CCCC1 1458a_100000210968_100000179811 [1,0,0,1,0,0|2,0,0]=4 13224 B10R1.11 COCC(=O)N1CCCC1 240690a_100000188435_100000210968 [1,0,0,1,0,0|2,0,0]=4 13225 B10R1.11 COCC(=O)N1CCCC1 34a_100138415774_100000183516 [1,0,0,1,0,0|2,0,0]=4 13226 B10R1.11 COCC(=O)N1CCCC1 527a_100000188435_100000210968 [1,0,0,1,0,0|2,0,0]=4 13227 B10R1.11 COCC(=O)N1CCCC1 7a_200000752455_200000210301 [1,0,0,1,0,0|2,0,0]=4 13228 B10R1.11 CSCC(=O)C1CCCC1 1458a_100000184570_100000179811 [1,0,0,1,0,0|2,0,0]=4 13229 B10R1.11 CSCC(=O)N1CCCC1 240690a_100000188435_100000184570 [1,0,0,1,0,0|2,0,0]=4 13230 B10R1.11 CSCC(=O)N1CCCC1 527a_100000188435_100000184570 [1,0,0,1,0,0|2,0,0]=4 13231 B10R1.11 CSCC(=O)N1CCCC1 62a_100000183516_200000210301 [1,0,0,1,0,0|2,0,0]=4 13232 B10R1.11 CSCC(=O)N1CCCC1 62a_200000210301_100000183516 [1,0,0,1,0,0|2,0,0]=4 13233 B10R1.11 O=C(CCF)C1CCCC1 1458a_100000210718_100011217306 [1,0,0,1,0,0|2,0,0]=4 13234 B10R1.11 O=C(CCO)C1CCCC1 1458a_100000210718_100000211926 [1,0,0,1,0,0|2,0,0]=4 13235 B10R1.11 O=C(CCO)C1CCCC1 1458a_100011216618_100000179811 [1,0,0,1,0,0|2,0,0]=4 13236 B10R1.11 O=C(CCO)N1CCCC1 240690a_100000188435_100011216618 [1,0,0,1,0,0|2,0,0]=4 13237 B10R1.11 [13CH3]NCC(=O)N1CCCC1 2230a_100000751844_200025704644 [1,0,0,1,0,0|2,0,0]=4 13238 B10R1.11 [13CH3]OCC(=O)N1CCCC1 7a_200000752455_200025704644 [1,0,0,1,0,0|2,0,0]=4 13239 B10R1.11 [13CH3]SCC(=O)N1CCCC1 62a_100000183516_200025704644 [1,0,0,1,0,0|2,0,0]=4 13240 B10R1.11 [13CH3]SCC(=O)N1CCCC1 62a_200025704644_100000183516 [1,0,0,1,0,0|2,0,0]=4 13241 B10R1.19 CNC1CCCCCC1=O 7a_106832991635_100000243696 [1,0,0,1,0,0|2,0,0]=4 13242 B10R1.19 CNC1CCCCNC1=O 2230a_100000698827_200000210301 [1,0,0,1,0,0|2,0,0]=4 13243 B10R1.19 CNC1CCCCNC1=O 2230a_106832991635_100000735217 [1,0,0,1,0,0|2,0,0]=4 13244 B10R1.19 CNC1CCCCNC1=O 34a_100000698827_200000210301 [1,0,0,1,0,0|2,0,0]=4 13245 B10R1.19 CNC1CCCCNC1=O 7a_106832991635_100000735217 [1,0,0,1,0,0|2,0,0]=4 13246 B10R1.19 CSC1CCCCCC1=O 62a_100000243696_200000210301 [1,0,0,1,0,0|2,0,0]=4 13247 B10R1.19 CSC1CCCCCC1=O 62a_200000210301_100000243696 [1,0,0,1,0,0|2,0,0]=4 13248 B10R1.19 CSC1CCCCNC1=O 62a_100000735217_200000210301 [1,0,0,1,0,0|2,0,0]=4 13249 B10R1.19 CSC1CCCCNC1=O 62a_200000210301_100000735217 [1,0,0,1,0,0|2,0,0]=4 13250 B10R1.19 [13CH3]NC1CCCCNC1=O 2230a_100000698827_200025704644 [1,0,0,1,0,0|2,0,0]=4 13251 B10R1.19 [13CH3]NC1CCCCNC1=O 34a_100000698827_200025704644 [1,0,0,1,0,0|2,0,0]=4 13252 B10R1.19 [13CH3]SC1CCCCCC1=O 62a_100000243696_200025704644 [1,0,0,1,0,0|2,0,0]=4 13253 B10R1.19 [13CH3]SC1CCCCCC1=O 62a_200025704644_100000243696 [1,0,0,1,0,0|2,0,0]=4 13254 B10R1.19 [13CH3]SC1CCCCNC1=O 62a_100000735217_200025704644 [1,0,0,1,0,0|2,0,0]=4 13255 B10R1.19 [13CH3]SC1CCCCNC1=O 62a_200025704644_100000735217 [1,0,0,1,0,0|2,0,0]=4 13256 B10R1.21 CCCCOC1CCCC1 34a_100000210227_100000179811 [1,0,0,1,0,0|1,0,1]=4 13257 B10R1.21 CCCCOC1CCCC1 34a_100000210269_100000210210 [1,0,0,1,0,0|1,0,1]=4 13258 B10R1.21 CCCCOC1CCCC1 7a_100000210227_100000179811 [1,0,0,1,0,0|1,0,1]=4 13259 B10R1.21 CCCCOC1CCCC1 7a_100000210269_100000210211 [1,0,0,1,0,0|1,0,1]=4 13260 B10R1.21 CCCCOC1CCCO1 34a_100000085407_100000210210 [1,0,0,1,0,0|0,0,2]=4 13261 B10R1.29 CCCOC1CCCC1=O 34a_100000210258_100000709159 [1,0,0,1,0,0|2,0,0]=4 13262 B10R1.29 CCCOC1CCCC1=O 34a_200000719330_100000210303 [1,0,0,1,0,0|2,0,0]=4 13263 B10R1.29 CCCSC1CCCC1=O 62a_100000210303_100000211823 [1,0,0,1,0,0|2,0,0]=4 13264 B10R1.29 CCCSC1CCCC1=O 62a_100000211823_100000210303 [1,0,0,1,0,0|2,0,0]=4 13265 B10R1.29 CCSCN1CCCC1=O 62a_100000026320_100000210202 [1,0,0,1,0,0|2,0,0]=4 13266 B10R1.29 CCSCN1CCCC1=O 62a_100000210202_100000026320 [1,0,0,1,0,0|2,0,0]=4 13267 B10R1.29 CNCCN1CCCC1=O 2230a_100011200922_200000210301 [1,0,0,1,0,0|2,0,0]=4 13268 B10R1.29 CNCCN1CCCC1=O 2230a_106832991635_100000739059 [1,0,0,1,0,0|2,0,0]=4 13269 B10R1.29 CNCCN1CCCC1=O 34a_100102657272_100000739059 [1,0,0,1,0,0|2,0,0]=4 13270 B10R1.29 CNCCN1CCCC1=O 7a_106832991635_100000739059 [1,0,0,1,0,0|2,0,0]=4 13271 B10R1.29 COCCN1CCCC1=O 34a_100000211209_200000210301 [1,0,0,1,0,0|2,0,0]=4 13272 B10R1.29 COCCN1CCCC1=O 34a_100138415774_100000739059 [1,0,0,1,0,0|2,0,0]=4 13273 B10R1.29 COCCN1CCCC1=O 7a_100000211209_200000210301 [1,0,0,1,0,0|2,0,0]=4 13274 B10R1.29 CSCCN1CCCC1=O 62a_100000739059_200000210301 [1,0,0,1,0,0|2,0,0]=4 13275 B10R1.29 CSCCN1CCCC1=O 62a_200000210301_100000739059 [1,0,0,1,0,0|2,0,0]=4 13276 B10R1.29 [13CH3]NCCN1CCCC1=O 2230a_100011200922_200025704644 [1,0,0,1,0,0|2,0,0]=4 13277 B10R1.29 [13CH3]OCCN1CCCC1=O 34a_100000211209_200025704644 [1,0,0,1,0,0|2,0,0]=4 13278 B10R1.29 [13CH3]OCCN1CCCC1=O 7a_100000211209_200025704644 [1,0,0,1,0,0|2,0,0]=4 13279 B10R1.29 [13CH3]SCCN1CCCC1=O 62a_100000739059_200025704644 [1,0,0,1,0,0|2,0,0]=4 13280 B10R1.29 [13CH3]SCCN1CCCC1=O 62a_200025704644_100000739059 [1,0,0,1,0,0|2,0,0]=4 13281 B10R1.135 CCC1CC1C(=O)CCF 1458a_200011661523_100011217306 [1,0,0,1,0,0|2,0,0]=4 13282 B10R1.135 CCC1CC1C(=O)CCO 1458a_200011661523_100000211926 [1,0,0,1,0,0|2,0,0]=4 13283 B10R1.135 CCCC(=O)C1CC1CC 1458a_200011661523_100000210303 [1,0,0,1,0,0|1,0,0]=3 13284 B10R1.135 CCNC(=O)C1CC1CC 11a_100015525214_200011661523 [1,0,0,1,0,0|2,0,0]=4 13285 B10R1.135 CCNC(=O)C1CC1CC 240690a_100015525214_200011661523 [1,0,0,1,0,0|2,0,0]=4 13286 B10R1.135 CCNC(=O)C1CC1CC 527a_100015525214_200011661523 [1,0,0,1,0,0|2,0,0]=4 13287 B10R1.136 CCCC(=O)N[C@@H]1C[C@@H]1F 240690a_100015190264_100000211992 [1,0,0,1,0,0|2,0,0]=4 13288 B10R1.136 CCCC(=O)N[C@@H]1C[C@@H]1F 527a_100015190264_100000211992 [1,0,0,1,0,0|2,0,0]=4 13289 B10R1.136 CCCC(=O)N[C@@H]1C[C@H]1F 11a_100025746932_100000211992 [1,0,0,1,0,0|2,0,0]=4 13290 B10R1.136 CCCC(=O)N[C@@H]1C[C@H]1F 1626a_100025746932_100000211992 [1,0,0,1,0,0|2,0,0]=4 13291 B10R1.136 CCCC(=O)N[C@@H]1C[C@H]1F 240690a_100025746932_100000211992 [1,0,0,1,0,0|2,0,0]=4 13292 B10R1.136 CCCC(=O)N[C@@H]1C[C@H]1F 527a_100025746932_100000211992 [1,0,0,1,0,0|2,0,0]=4 13293 B10R1.137 CCCC(=O)C=C1CCC1 1458a_100000686340_100000210303 [1,0,0,1,0,0|1,0,1]=4 13294 B10R1.137 CCCC(=O)CC1CCC1 1458a_100000211992_100000763275 [1,0,0,1,0,0|1,0,0]=3 13295 B10R1.137 CCCC(=O)CC1CCC1 1458a_100000763092_100000210303 [1,0,0,1,0,0|1,0,0]=3 13296 B10R1.137 CCCC(=O)CC1CCO1 1458a_100000211992_100000103362 [1,0,0,1,0,0|2,0,0]=4 13297 B10R1.137 CCCC(=O)CC1COC1 1458a_100000211992_100010264016 [1,0,0,1,0,0|2,0,0]=4 13298 B10R1.137 CCCC(=O)CC1COC1 1458a_100000687760_100000210303 [1,0,0,1,0,0|2,0,0]=4 13299 B10R1.137 CCCC(=O)CN1CCC1 269982a_100000754969_100000747444 [1,0,0,1,0,0|2,0,0]=4 13300 B10R1.137 CCCC(=O)NC1CCC1 11a_100000749019_100000211992 [1,0,0,1,0,0|1,0,0]=3 13301 B10R1.137 CCCC(=O)NC1CCC1 1626a_100000749019_100000211992 [1,0,0,1,0,0|1,0,0]=3 13302 B10R1.137 CCCC(=O)NC1CCC1 240690a_100000749019_100000211992 [1,0,0,1,0,0|1,0,0]=3 13303 B10R1.137 CCCC(=O)NC1CCC1 527a_100000749019_100000211992 [1,0,0,1,0,0|1,0,0]=3 13304 B10R1.137 CCCC(=O)NC1COC1 11a_100016991112_100000211992 [1,0,0,1,0,0|2,0,0]=4 13305 B10R1.137 CCCC(=O)NC1COC1 1626a_100016991112_100000211992 [1,0,0,1,0,0|2,0,0]=4 13306 B10R1.137 CCCC(=O)NC1COC1 240690a_100016991112_100000211992 [1,0,0,1,0,0|2,0,0]=4 13307 B10R1.137 CCCC(=O)NC1COC1 527a_100016991112_100000211992 [1,0,0,1,0,0|2,0,0]=4 13308 B10R1.137 CCCC(=O)NC1CSC1 11a_100016994217_100000211992 [1,0,0,1,0,0|2,0,0]=4 13309 B10R1.137 CCCC(=O)NC1CSC1 1626a_100016994217_100000211992 [1,0,0,1,0,0|2,0,0]=4 13310 B10R1.137 CCCC(=O)NC1CSC1 240690a_100016994217_100000211992 [1,0,0,1,0,0|2,0,0]=4 13311 B10R1.137 CCCC(=O)NC1CSC1 527a_100016994217_100000211992 [1,0,0,1,0,0|2,0,0]=4 13312 B10R1.137 CCCC(C)OC1CCC1 34a_100000748187_100000766640 [1,0,0,1,0,0|1,0,1]=4 13313 B10R1.137 CCCC(C)OC1CCC1 34a_100000764384_100000749161 [1,0,0,1,0,0|1,0,1]=4 13314 B10R1.137 CCNC(=O)CC1CCC1 11a_100015525214_100000763092 [1,0,0,1,0,0|2,0,0]=4 13315 B10R1.137 CCNC(=O)CC1CCC1 240690a_100015525214_100000763092 [1,0,0,1,0,0|2,0,0]=4 13316 B10R1.137 CCNC(=O)CC1CCC1 527a_100015525214_100000763092 [1,0,0,1,0,0|2,0,0]=4 13317 B10R1.137 CCNC(=O)NC1CCC1 2708a_100015525214_100000749019 [1,0,0,1,0,0|2,0,0]=4 13318 B10R1.137 CCNC(=O)NC1CCC1 273464a_100000749019_100015525214 [1,0,0,1,0,0|2,0,0]=4 13319 B10R1.137 CCNC(=O)NC1CCC1 273464a_100015525214_100000749019 [1,0,0,1,0,0|2,0,0]=4 13320 B10R1.137 CCNC(=O)NC1CCC1 512a_100000749019_100015525214 [1,0,0,1,0,0|2,0,0]=4 13321 B10R1.137 CCNC(=O)NC1CCC1 512a_100015525214_100000749019 [1,0,0,1,0,0|2,0,0]=4 13322 B10R1.137 COCC(=O)CC1CCC1 1458a_100000210968_100000763275 [1,0,0,1,0,0|2,0,0]=4 13323 B10R1.137 COCC(=O)NC1CCC1 11a_100000749019_100000210968 [1,0,0,1,0,0|2,0,0]=4 13324 B10R1.137 COCC(=O)NC1CCC1 1626a_100000749019_100000210968 [1,0,0,1,0,0|2,0,0]=4 13325 B10R1.137 COCC(=O)NC1CCC1 240690a_100000749019_100000210968 [1,0,0,1,0,0|2,0,0]=4 13326 B10R1.137 COCC(=O)NC1CCC1 527a_100000749019_100000210968 [1,0,0,1,0,0|2,0,0]=4 13327 B10R1.137 CSCC(=O)CC1CCC1 1458a_100000184570_100000763275 [1,0,0,1,0,0|2,0,0]=4 13328 B10R1.137 CSCC(=O)NC1CCC1 11a_100000749019_100000184570 [1,0,0,1,0,0|2,0,0]=4 13329 B10R1.137 CSCC(=O)NC1CCC1 1626a_100000749019_100000184570 [1,0,0,1,0,0|2,0,0]=4 13330 B10R1.137 CSCC(=O)NC1CCC1 240690a_100000749019_100000184570 [1,0,0,1,0,0|2,0,0]=4 13331 B10R1.137 CSCC(=O)NC1CCC1 527a_100000749019_100000184570 [1,0,0,1,0,0|2,0,0]=4 13332 B10R1.137 O=C(CCF)CC1CCC1 1458a_100000763092_100011217306 [1,0,0,1,0,0|2,0,0]=4 13333 B10R1.137 O=C(CCO)CC1CCC1 1458a_100000763092_100000211926 [1,0,0,1,0,0|2,0,0]=4 13334 B10R1.137 O=C(CCO)CC1CCC1 1458a_100011216618_100000763275 [1,0,0,1,0,0|2,0,0]=4 13335 B10R1.137 O=C(CCO)NC1CCC1 240690a_100000749019_100011216618 [1,0,0,1,0,0|2,0,0]=4 13336 B10R1.138 CCCC(=O)C=CC1CC1 1458a_100102529529_100000210303 [1,0,0,1,0,0|1,0,1]=4 13337 B10R1.138 CCCC(=O)CCC1CC1 1458a_100000211992_100000694398 [1,0,0,1,0,0|1,0,0]=3 13338 B10R1.138 CCCC(=O)CCC1CC1 1458a_100000756386_100000210303 [1,0,0,1,0,0|1,0,0]=3 13339 B10R1.138 CCCC(=O)CCC1CO1 1458a_100000211992_100000732470 [1,0,0,1,0,0|2,0,0]=4 13340 B10R1.138 CCCC(=O)CSC1CC1 62a_100000747444_100000211595 [1,0,0,1,0,0|2,0,0]=4 13341 B10R1.138 CCCC(=O)NCC1CC1 11a_100000735609_100000211992 [1,0,0,1,0,0|1,0,0]=3 13342 B10R1.138 CCCC(=O)NCC1CC1 1626a_100000735609_100000211992 [1,0,0,1,0,0|1,0,0]=3 13343 B10R1.138 CCCC(=O)NCC1CC1 240690a_100000735609_100000211992 [1,0,0,1,0,0|1,0,0]=3 13344 B10R1.138 CCCC(=O)NCC1CC1 527a_100000735609_100000211992 [1,0,0,1,0,0|1,0,0]=3 13345 B10R1.138 CCCC(=O)NNC1CC1 22a_100000701032_100000211992 [1,0,0,1,0,0|2,0,0]=4 13346 B10R1.138 CCCC(C)OCC1CC1 34a_100000211283_100000766640 [1,0,0,1,0,0|1,0,1]=4 13347 B10R1.138 CCCC(C)OCC1CC1 34a_100000764384_100000742324 [1,0,0,1,0,0|1,0,1]=4 13348 B10R1.138 CCCC(C)OCC1CC1 7a_100000764384_100000742324 [1,0,0,1,0,0|1,0,1]=4 13349 B10R1.138 CCNC(=O)CCC1CC1 11a_100015525214_100000756386 [1,0,0,1,0,0|2,0,0]=4 13350 B10R1.138 CCNC(=O)CCC1CC1 240690a_100015525214_100000756386 [1,0,0,1,0,0|2,0,0]=4 13351 B10R1.138 CCNC(=O)CCC1CC1 527a_100015525214_100000756386 [1,0,0,1,0,0|2,0,0]=4 13352 B10R1.138 CCNC(=O)NCC1CC1 2708a_100000735609_100015525214 [1,0,0,1,0,0|2,0,0]=4 13353 B10R1.138 CCNC(=O)NCC1CC1 2708a_100015525214_100000735609 [1,0,0,1,0,0|2,0,0]=4 13354 B10R1.138 CCNC(=O)NCC1CC1 273464a_100000735609_100015525214 [1,0,0,1,0,0|2,0,0]=4 13355 B10R1.138 CCNC(=O)NCC1CC1 273464a_100015525214_100000735609 [1,0,0,1,0,0|2,0,0]=4 13356 B10R1.138 CCNC(=O)NCC1CC1 512a_100000735609_100015525214 [1,0,0,1,0,0|2,0,0]=4 13357 B10R1.138 CCNC(=O)NCC1CC1 512a_100015525214_100000735609 [1,0,0,1,0,0|2,0,0]=4 13358 B10R1.138 COCC(=O)CCC1CC1 1458a_100000210968_100000694398 [1,0,0,1,0,0|2,0,0]=4 13359 B10R1.138 COCC(=O)NCC1CC1 11a_100000735609_100000210968 [1,0,0,1,0,0|2,0,0]=4 13360 B10R1.138 COCC(=O)NCC1CC1 1626a_100000735609_100000210968 [1,0,0,1,0,0|2,0,0]=4 13361 B10R1.138 COCC(=O)NCC1CC1 240690a_100000735609_100000210968 [1,0,0,1,0,0|2,0,0]=4 13362 B10R1.138 COCC(=O)NCC1CC1 527a_100000735609_100000210968 [1,0,0,1,0,0|2,0,0]=4 13363 B10R1.138 CSCC(=O)CCC1CC1 1458a_100000184570_100000694398 [1,0,0,1,0,0|2,0,0]=4 13364 B10R1.138 CSCC(=O)NCC1CC1 11a_100000735609_100000184570 [1,0,0,1,0,0|2,0,0]=4 13365 B10R1.138 CSCC(=O)NCC1CC1 1626a_100000735609_100000184570 [1,0,0,1,0,0|2,0,0]=4 13366 B10R1.138 CSCC(=O)NCC1CC1 240690a_100000735609_100000184570 [1,0,0,1,0,0|2,0,0]=4 13367 B10R1.138 CSCC(=O)NCC1CC1 527a_100000735609_100000184570 [1,0,0,1,0,0|2,0,0]=4 13368 B10R1.138 O=C(CCF)CCC1CC1 1458a_100000756386_100011217306 [1,0,0,1,0,0|2,0,0]=4 13369 B10R1.138 O=C(CCO)CCC1CC1 1458a_100000756386_100000211926 [1,0,0,1,0,0|2,0,0]=4 13370 B10R1.138 O=C(CCO)CCC1CC1 1458a_100011216618_100000694398 [1,0,0,1,0,0|2,0,0]=4 13371 B10R1.138 O=C(CCO)NCC1CC1 240690a_100000735609_100011216618 [1,0,0,1,0,0|2,0,0]=4 13372 B10R1.139 CC1CCN1C(=O)CCO 240690a_100000755817_100011216618 [1,0,0,1,0,0|2,0,0]=4 13373 B10R1.139 CCCC(=O)N1CCC1C 11a_100000755817_100000211992 [1,0,0,1,0,0|1,0,0]=3 13374 B10R1.139 CCCC(=O)N1CCC1C 240690a_100000755817_100000211992 [1,0,0,1,0,0|1,0,0]=3 13375 B10R1.139 CCCC(=O)N1CCC1C 527a_100000755817_100000211992 [1,0,0,1,0,0|1,0,0]=3 13376 B10R1.139 CCNC(=O)N1CCC1C 2708a_100015525214_100000755817 [1,0,0,1,0,0|2,0,0]=4 13377 B10R1.139 CCNC(=O)N1CCC1C 273464a_100015525214_100000755817 [1,0,0,1,0,0|2,0,0]=4 13378 B10R1.139 COCC(=O)N1CCC1C 11a_100000755817_100000210968 [1,0,0,1,0,0|2,0,0]=4 13379 B10R1.139 COCC(=O)N1CCC1C 240690a_100000755817_100000210968 [1,0,0,1,0,0|2,0,0]=4 13380 B10R1.139 COCC(=O)N1CCC1C 527a_100000755817_100000210968 [1,0,0,1,0,0|2,0,0]=4 13381 B10R1.139 CSCC(=O)N1CCC1C 11a_100000755817_100000184570 [1,0,0,1,0,0|2,0,0]=4 13382 B10R1.139 CSCC(=O)N1CCC1C 240690a_100000755817_100000184570 [1,0,0,1,0,0|2,0,0]=4 13383 B10R1.139 CSCC(=O)N1CCC1C 527a_100000755817_100000184570 [1,0,0,1,0,0|2,0,0]=4 13384 B10R1.186 CCCCCC(=O)C1CC1 1458a_100000210395_100000210326 [1,0,0,1,0,0|1,0,0]=3 13385 B10R1.186 CCCCCC(=O)C1CO1 1458a_100000701028_100000210326 [1,0,0,1,0,0|2,0,0]=4 13386 B10R1.186 CCCCNC(=O)C1CC1 11a_100000102301_100000210395 [1,0,0,1,0,0|1,0,0]=3 13387 B10R1.186 CCCCNC(=O)C1CC1 1626a_100000102301_100000210395 [1,0,0,1,0,0|1,0,0]=3 13388 B10R1.186 CCCCNC(=O)C1CC1 240690a_100000102301_100000210395 [1,0,0,1,0,0|1,0,0]=3 13389 B10R1.186 CCCCNC(=O)C1CC1 527a_100000102301_100000210395 [1,0,0,1,0,0|1,0,0]=3 13390 B10R1.186 CCCCNC(=O)C1CO1 11a_100000102301_100000701028 [1,0,0,1,0,0|2,0,0]=4 13391 B10R1.186 CCCCNC(=O)C1CO1 1626a_100000102301_100000701028 [1,0,0,1,0,0|2,0,0]=4 13392 B10R1.186 CCCCNC(=O)C1CO1 240690a_100000102301_100000701028 [1,0,0,1,0,0|2,0,0]=4 13393 B10R1.186 CCCCNC(=O)C1CO1 527a_100000102301_100000701028 [1,0,0,1,0,0|2,0,0]=4 13394 B10R1.186 CCCCOC(C)C1CC1 34a_100000744524_100000210210 [1,0,0,1,0,0|1,0,1]=4 13395 B10R1.186 CCCCOC(C)C1CC1 7a_100000744524_100000210211 [1,0,0,1,0,0|1,0,1]=4 13396 B10R1.186 CCCNNC(=O)C1CC1 22a_100000740057_100000210395 [1,0,0,1,0,0|2,0,0]=4 13397 B10R1.186 CCCOCC(=O)C1CC1 34a_100000210258_100000746382 [1,0,0,1,0,0|2,0,0]=4 13398 B10R1.186 CCCOCC(=O)C1CC1 34a_100000686663_100000210303 [1,0,0,1,0,0|2,0,0]=4 13399 B10R1.186 CCCSCC(=O)C1CC1 62a_100000210303_100000746382 [1,0,0,1,0,0|2,0,0]=4 13400 B10R1.186 CCCSCC(=O)C1CC1 62a_100000746382_100000210303 [1,0,0,1,0,0|2,0,0]=4 13401 B10R1.186 CCNCOC(=O)C1CC1 2230a_100015525214_100000140896 [1,0,0,1,0,0|1,0,0]=3 13402 B10R1.186 CCOCCC(=O)C1CC1 1458a_100000210395_100011215890 [1,0,0,1,0,0|2,0,0]=4 13403 B10R1.186 CCOCOC(=O)C1CC1 34a_100121572206_100000140896 [1,0,0,1,0,0|1,0,0]=3 13404 B10R1.186 CCSCCC(=O)C1CC1 1458a_100000210395_100000757381 [1,0,0,1,0,0|2,0,0]=4 13405 B10R1.186 CCSCOC(=O)C1CC1 62a_100000140896_100000210202 [1,0,0,1,0,0|1,0,0]=3 13406 B10R1.186 CCSCOC(=O)C1CC1 62a_100000210202_100000140896 [1,0,0,1,0,0|1,0,0]=3 13407 B10R1.186 COCCCC(=O)C1CC1 1458a_100000210395_100000740836 [1,0,0,1,0,0|2,0,0]=4 13408 B10R1.186 COCCNC(=O)C1CC1 1626a_100000209980_100000210395 [1,0,0,1,0,0|2,0,0]=4 13409 B10R1.186 COCCNC(=O)C1CC1 240690a_100000209980_100000210395 [1,0,0,1,0,0|2,0,0]=4 13410 B10R1.186 COCCNC(=O)C1CC1 527a_100000209980_100000210395 [1,0,0,1,0,0|2,0,0]=4 13411 B10R1.186 CSCCNC(=O)C1CC1 11a_100020590264_100000210395 [1,0,0,1,0,0|2,0,0]=4 13412 B10R1.186 CSCCNC(=O)C1CC1 1626a_100020590264_100000210395 [1,0,0,1,0,0|2,0,0]=4 13413 B10R1.186 CSCCNC(=O)C1CC1 240690a_100020590264_100000210395 [1,0,0,1,0,0|2,0,0]=4 13414 B10R1.186 CSCCNC(=O)C1CC1 527a_100020590264_100000210395 [1,0,0,1,0,0|2,0,0]=4 13415 B10R1.186 O=C(CCCCF)C1CC1 1458a_100000210395_100000729493 [1,0,0,1,0,0|2,0,0]=4 13416 B10R1.186 O=C(CCCCO)C1CC1 1458a_100000210395_100000210776 [1,0,0,1,0,0|2,0,0]=4 13417 B10R1.186 O=C(NCCCF)C1CC1 11a_100015189416_100000210395 [1,0,0,1,0,0|2,0,0]=4 13418 B10R1.186 O=C(NCCCF)C1CC1 1626a_100015189416_100000210395 [1,0,0,1,0,0|2,0,0]=4 13419 B10R1.186 O=C(NCCCF)C1CC1 240690a_100015189416_100000210395 [1,0,0,1,0,0|2,0,0]=4 13420 B10R1.186 O=C(NCCCF)C1CC1 527a_100015189416_100000210395 [1,0,0,1,0,0|2,0,0]=4 13421 B10R1.186 O=C(NCCCO)C1CC1 240690a_100000182051_100000210395 [1,0,0,1,0,0|2,0,0]=4 13422 B10R1.186 O=C(NCCCO)C1CC1 527a_100000182051_100000210395 [1,0,0,1,0,0|2,0,0]=4 13423 B10R1.186 O=C(OCSCF)C1CC1 62a_100000140896_100015361967 [1,0,0,1,0,0|2,0,0]=4 13424 B10R1.186 O=C(OCSCF)C1CC1 62a_100015361967_100000140896 [1,0,0,1,0,0|2,0,0]=4 13425 B10R1.245 CCC1C(=O)NCCN1C 2230a_100000187962_200000210301 [1,0,0,1,0,0|2,0,0]=4 13426 B10R1.245 CCC1C(=O)NCCN1C 269982a_100000187962_200000210301 [1,0,0,1,0,0|2,0,0]=4 13427 B10R1.245 CCC1C(=O)NCCN1C 34a_100000187962_200000210301 [1,0,0,1,0,0|2,0,0]=4 13428 B10R1.245 CCC1C(=O)NCCN1[13CH3] 2230a_100000187962_200025704644 [1,0,0,1,0,0|2,0,0]=4 13429 B10R1.245 CCC1C(=O)NCCN1[13CH3] 269982a_100000187962_200025704644 [1,0,0,1,0,0|2,0,0]=4 13430 B10R1.245 CCC1C(=O)NCCN1[13CH3] 34a_100000187962_200025704644 [1,0,0,1,0,0|2,0,0]=4 13431 B10R1.376 CCCCOC1(CCC1)C 34a_100000759064_100000210210 [1,0,0,1,0,0|1,0,1]=4 13432 B10R1.376 CCCCOC1(CCC1)C 7a_100000759064_100000210211 [1,0,0,1,0,0|1,0,1]=4 13433 B10R1.23 CC(C)C(=O)C1=CCCC1 1458a_100000038896_100000210206 [0,0,0,1,1,0|1,0,1]=4 13434 B10R1.23 CC(C)C(=O)C1CCCC1 1458a_100000210198_100000179811 [0,0,0,1,1,0|1,0,0]=3 13435 B10R1.23 CC(C)C(=O)C1CCCC1 1458a_100000210718_100000210206 [0,0,0,1,1,0|1,0,0]=3 13436 B10R1.23 CC(C)C(=O)C1CCCS1 1458a_100012002731_100000210206 [0,0,0,1,1,0|2,0,0]=4 13437 B10R1.23 CC(C)C(=O)C1CCOC1 1458a_100000210198_100000690089 [0,0,0,1,1,0|2,0,0]=4 13438 B10R1.23 CC(C)C(=O)C1CCOC1 1458a_100011219752_100000210206 [0,0,0,1,1,0|2,0,0]=4 13439 B10R1.23 CC(C)C(=O)N1CCCC1 240690a_100000188435_100000210198 [0,0,0,1,1,0|1,0,0]=3 13440 B10R1.23 CC(C)C(=O)N1CCCC1 527a_100000188435_100000210198 [0,0,0,1,1,0|1,0,0]=3 13441 B10R1.23 CC(C)C(=O)N1CCSC1 11a_100011215254_100000210198 [0,0,0,1,1,0|2,0,0]=4 13442 B10R1.23 CC(C)C(=O)N1CCSC1 240690a_100011215254_100000210198 [0,0,0,1,1,0|2,0,0]=4 13443 B10R1.23 CC(C)C(=O)N1CCSC1 527a_100011215254_100000210198 [0,0,0,1,1,0|2,0,0]=4 13444 B10R1.23 CC(C)C(=O)[C@@H]1CCCO1 1458a_100000686382_100000210206 [0,0,0,1,1,0|2,0,0]=4 13445 B10R1.23 CC(F)C(=O)C1CCCC1 1458a_100000062450_100000179811 [0,0,0,1,1,0|2,0,0]=4 13446 B10R1.23 CC(F)C(=O)N1CCCC1 240690a_100000188435_100000062450 [0,0,0,1,1,0|2,0,0]=4 13447 B10R1.23 CC(F)C(=O)N1CCCC1 527a_100000188435_100000062450 [0,0,0,1,1,0|2,0,0]=4 13448 B10R1.23 CN(C)C(=O)C1CCCC1 11a_100102631434_100000210718 [0,0,0,1,1,0|2,0,0]=4 13449 B10R1.23 CN(C)C(=O)C1CCCC1 1626a_100102631434_100000210718 [0,0,0,1,1,0|2,0,0]=4 13450 B10R1.23 CN(C)C(=O)C1CCCC1 240690a_100102631434_100000210718 [0,0,0,1,1,0|2,0,0]=4 13451 B10R1.23 CN(C)C(=O)C1CCCC1 527a_100102631434_100000210718 [0,0,0,1,1,0|2,0,0]=4 13452 B10R1.23 C[C@@H](O)C(=O)C1CCCC1 1458a_100000717761_100000179811 [0,0,0,1,1,0|2,0,0]=4 13453 B10R1.23 C[C@@H](O)C(=O)N1CCCC1 240690a_100000188435_100000717761 [0,0,0,1,1,0|2,0,0]=4 13454 B10R1.23 C[C@H](O)C(=O)C1CCCC1 1458a_217856618621_100000179811 [0,0,0,1,1,0|2,0,0]=4 13455 B10R1.23 C[C@H](O)C(=O)N1CCCC1 240690a_100000188435_217856618621 [0,0,0,1,1,0|2,0,0]=4 13456 B10R1.114 CC1(C(=O)NCCN1[13CH3])C 2230a_100000751695_200025704644 [0,0,0,1,1,0|2,0,0]=4 13457 B10R1.114 CC1(C(=O)NCCN1[13CH3])C 269982a_100000751695_200025704644 [0,0,0,1,1,0|2,0,0]=4 13458 B10R1.114 CC1(C(=O)NCCN1[13CH3])C 34a_100000751695_200025704644 [0,0,0,1,1,0|2,0,0]=4 13459 B10R1.114 CN1CCNC(=O)C1(C)C 2230a_100000751695_200000210301 [0,0,0,1,1,0|2,0,0]=4 13460 B10R1.114 CN1CCNC(=O)C1(C)C 269982a_100000751695_200000210301 [0,0,0,1,1,0|2,0,0]=4 13461 B10R1.114 CN1CCNC(=O)C1(C)C 34a_100000751695_200000210301 [0,0,0,1,1,0|2,0,0]=4 13462 B10R1.116 CC(C)C(=O)N1CCC1C 11a_100000755817_100000210198 [0,0,0,1,1,0|1,0,0]=3 13463 B10R1.116 CC(C)C(=O)N1CCC1C 240690a_100000755817_100000210198 [0,0,0,1,1,0|1,0,0]=3 13464 B10R1.116 CC(C)C(=O)N1CCC1C 527a_100000755817_100000210198 [0,0,0,1,1,0|1,0,0]=3 13465 B10R1.116 CC(F)C(=O)N1CCC1C 11a_100000755817_100000062450 [0,0,0,1,1,0|2,0,0]=4 13466 B10R1.116 CC(F)C(=O)N1CCC1C 240690a_100000755817_100000062450 [0,0,0,1,1,0|2,0,0]=4 13467 B10R1.116 CC(F)C(=O)N1CCC1C 527a_100000755817_100000062450 [0,0,0,1,1,0|2,0,0]=4 13468 B10R1.116 CC1CCN1C(=O)[C@@H](C)O 240690a_100000755817_100000717761 [0,0,0,1,1,0|2,0,0]=4 13469 B10R1.116 CC1CCN1C(=O)[C@H](C)O 240690a_100000755817_217856618621 [0,0,0,1,1,0|2,0,0]=4 13470 B10R1.155 CCC1CC1C(=O)C(C)C 1458a_200011661523_100000210206 [0,0,0,1,1,0|1,0,0]=3 13471 B10R1.155 CCC1CC1C(=O)N(C)C 11a_100102631434_200011661523 [0,0,0,1,1,0|2,0,0]=4 13472 B10R1.155 CCC1CC1C(=O)N(C)C 1626a_100102631434_200011661523 [0,0,0,1,1,0|2,0,0]=4 13473 B10R1.155 CCC1CC1C(=O)N(C)C 240690a_100102631434_200011661523 [0,0,0,1,1,0|2,0,0]=4 13474 B10R1.155 CCC1CC1C(=O)N(C)C 527a_100102631434_200011661523 [0,0,0,1,1,0|2,0,0]=4 13475 B10R1.190 CC(C)C(=O)N[C@@H]1C[C@@H]1F 240690a_100015190264_100000210198 [0,0,0,1,1,0|2,0,0]=4 13476 B10R1.190 CC(C)C(=O)N[C@@H]1C[C@@H]1F 527a_100015190264_100000210198 [0,0,0,1,1,0|2,0,0]=4 13477 B10R1.190 CC(C)C(=O)N[C@@H]1C[C@H]1F 11a_100025746932_100000210198 [0,0,0,1,1,0|2,0,0]=4 13478 B10R1.190 CC(C)C(=O)N[C@@H]1C[C@H]1F 1626a_100025746932_100000210198 [0,0,0,1,1,0|2,0,0]=4 13479 B10R1.190 CC(C)C(=O)N[C@@H]1C[C@H]1F 240690a_100025746932_100000210198 [0,0,0,1,1,0|2,0,0]=4 13480 B10R1.190 CC(C)C(=O)N[C@@H]1C[C@H]1F 527a_100025746932_100000210198 [0,0,0,1,1,0|2,0,0]=4 13481 B10R1.204 CC(C)C(=O)C=C1CCC1 1458a_100000686340_100000210206 [0,0,0,1,1,0|1,0,1]=4 13482 B10R1.204 CC(C)C(=O)CC1CCC1 1458a_100000210198_100000763275 [0,0,0,1,1,0|1,0,0]=3 13483 B10R1.204 CC(C)C(=O)CC1CCC1 1458a_100000763092_100000210206 [0,0,0,1,1,0|1,0,0]=3 13484 B10R1.204 CC(C)C(=O)CC1CCO1 1458a_100000210198_100000103362 [0,0,0,1,1,0|2,0,0]=4 13485 B10R1.204 CC(C)C(=O)CC1COC1 1458a_100000210198_100010264016 [0,0,0,1,1,0|2,0,0]=4 13486 B10R1.204 CC(C)C(=O)CC1COC1 1458a_100000687760_100000210206 [0,0,0,1,1,0|2,0,0]=4 13487 B10R1.204 CC(C)C(=O)CN1CCC1 269982a_100000754969_100000753385 [0,0,0,1,1,0|2,0,0]=4 13488 B10R1.204 CC(C)C(=O)NC1CCC1 11a_100000749019_100000210198 [0,0,0,1,1,0|1,0,0]=3 13489 B10R1.204 CC(C)C(=O)NC1CCC1 1626a_100000749019_100000210198 [0,0,0,1,1,0|1,0,0]=3 13490 B10R1.204 CC(C)C(=O)NC1CCC1 240690a_100000749019_100000210198 [0,0,0,1,1,0|1,0,0]=3 13491 B10R1.204 CC(C)C(=O)NC1CCC1 527a_100000749019_100000210198 [0,0,0,1,1,0|1,0,0]=3 13492 B10R1.204 CC(C)C(=O)NC1COC1 11a_100016991112_100000210198 [0,0,0,1,1,0|2,0,0]=4 13493 B10R1.204 CC(C)C(=O)NC1COC1 1626a_100016991112_100000210198 [0,0,0,1,1,0|2,0,0]=4 13494 B10R1.204 CC(C)C(=O)NC1COC1 240690a_100016991112_100000210198 [0,0,0,1,1,0|2,0,0]=4 13495 B10R1.204 CC(C)C(=O)NC1COC1 527a_100016991112_100000210198 [0,0,0,1,1,0|2,0,0]=4 13496 B10R1.204 CC(C)C(=O)NC1CSC1 11a_100016994217_100000210198 [0,0,0,1,1,0|2,0,0]=4 13497 B10R1.204 CC(C)C(=O)NC1CSC1 1626a_100016994217_100000210198 [0,0,0,1,1,0|2,0,0]=4 13498 B10R1.204 CC(C)C(=O)NC1CSC1 240690a_100016994217_100000210198 [0,0,0,1,1,0|2,0,0]=4 13499 B10R1.204 CC(C)C(=O)NC1CSC1 527a_100016994217_100000210198 [0,0,0,1,1,0|2,0,0]=4 13500 B10R1.204 CC(F)C(=O)CC1CCC1 1458a_100000062450_100000763275 [0,0,0,1,1,0|2,0,0]=4 13501 B10R1.204 CC(F)C(=O)NC1CCC1 11a_100000749019_100000062450 [0,0,0,1,1,0|2,0,0]=4 13502 B10R1.204 CC(F)C(=O)NC1CCC1 1626a_100000749019_100000062450 [0,0,0,1,1,0|2,0,0]=4 13503 B10R1.204 CC(F)C(=O)NC1CCC1 240690a_100000749019_100000062450 [0,0,0,1,1,0|2,0,0]=4 13504 B10R1.204 CC(F)C(=O)NC1CCC1 527a_100000749019_100000062450 [0,0,0,1,1,0|2,0,0]=4 13505 B10R1.204 CN(C)C(=O)CC1CCC1 11a_100102631434_100000763092 [0,0,0,1,1,0|2,0,0]=4 13506 B10R1.204 CN(C)C(=O)CC1CCC1 1626a_100102631434_100000763092 [0,0,0,1,1,0|2,0,0]=4 13507 B10R1.204 CN(C)C(=O)CC1CCC1 240690a_100102631434_100000763092 [0,0,0,1,1,0|2,0,0]=4 13508 B10R1.204 CN(C)C(=O)CC1CCC1 527a_100102631434_100000763092 [0,0,0,1,1,0|2,0,0]=4 13509 B10R1.204 C[C@@H](O)C(=O)CC1CCC1 1458a_100000717761_100000763275 [0,0,0,1,1,0|2,0,0]=4 13510 B10R1.204 C[C@@H](O)C(=O)NC1CCC1 240690a_100000749019_100000717761 [0,0,0,1,1,0|2,0,0]=4 13511 B10R1.204 C[C@H](O)C(=O)CC1CCC1 1458a_217856618621_100000763275 [0,0,0,1,1,0|2,0,0]=4 13512 B10R1.204 C[C@H](O)C(=O)NC1CCC1 1626a_100000749019_217856618621 [0,0,0,1,1,0|2,0,0]=4 13513 B10R1.204 C[C@H](O)C(=O)NC1CCC1 240690a_100000749019_217856618621 [0,0,0,1,1,0|2,0,0]=4 13514 B10R1.205 CC(C)C(=O)C=CC1CC1 1458a_100102529529_100000210206 [0,0,0,1,1,0|1,0,1]=4 13515 B10R1.205 CC(C)C(=O)CCC1CC1 1458a_100000210198_100000694398 [0,0,0,1,1,0|1,0,0]=3 13516 B10R1.205 CC(C)C(=O)CCC1CC1 1458a_100000756386_100000210206 [0,0,0,1,1,0|1,0,0]=3 13517 B10R1.205 CC(C)C(=O)CCC1CO1 1458a_100000210198_100000732470 [0,0,0,1,1,0|2,0,0]=4 13518 B10R1.205 CC(C)C(=O)CNC1CC1 34a_100000212008_100000753385 [0,0,0,1,1,0|2,0,0]=4 13519 B10R1.205 CC(C)C(=O)CSC1CC1 62a_100000753385_100000211595 [0,0,0,1,1,0|2,0,0]=4 13520 B10R1.205 CC(C)C(=O)NCC1CC1 11a_100000735609_100000210198 [0,0,0,1,1,0|1,0,0]=3 13521 B10R1.205 CC(C)C(=O)NCC1CC1 1626a_100000735609_100000210198 [0,0,0,1,1,0|1,0,0]=3 13522 B10R1.205 CC(C)C(=O)NCC1CC1 240690a_100000735609_100000210198 [0,0,0,1,1,0|1,0,0]=3 13523 B10R1.205 CC(C)C(=O)NCC1CC1 527a_100000735609_100000210198 [0,0,0,1,1,0|1,0,0]=3 13524 B10R1.205 CC(C)C(=O)NNC1CC1 22a_100000701032_100000210198 [0,0,0,1,1,0|2,0,0]=4 13525 B10R1.205 CC(C)C(C)OCC1CC1 7a_100000748068_100000742324 [0,0,0,1,1,0|1,0,1]=4 13526 B10R1.205 CC(F)C(=O)CCC1CC1 1458a_100000062450_100000694398 [0,0,0,1,1,0|2,0,0]=4 13527 B10R1.205 CC(F)C(=O)NCC1CC1 11a_100000735609_100000062450 [0,0,0,1,1,0|2,0,0]=4 13528 B10R1.205 CC(F)C(=O)NCC1CC1 1626a_100000735609_100000062450 [0,0,0,1,1,0|2,0,0]=4 13529 B10R1.205 CC(F)C(=O)NCC1CC1 240690a_100000735609_100000062450 [0,0,0,1,1,0|2,0,0]=4 13530 B10R1.205 CC(F)C(=O)NCC1CC1 527a_100000735609_100000062450 [0,0,0,1,1,0|2,0,0]=4 13531 B10R1.205 CN(C)C(=O)CCC1CC1 11a_100102631434_100000756386 [0,0,0,1,1,0|2,0,0]=4 13532 B10R1.205 CN(C)C(=O)CCC1CC1 1626a_100102631434_100000756386 [0,0,0,1,1,0|2,0,0]=4 13533 B10R1.205 CN(C)C(=O)CCC1CC1 240690a_100102631434_100000756386 [0,0,0,1,1,0|2,0,0]=4 13534 B10R1.205 CN(C)C(=O)CCC1CC1 527a_100102631434_100000756386 [0,0,0,1,1,0|2,0,0]=4 13535 B10R1.205 CN(C)C(=O)NCC1CC1 2708a_100000735609_100102631434 [0,0,0,1,1,0|2,0,0]=4 13536 B10R1.205 C[C@@H](O)C(=O)CCC1CC1 1458a_100000717761_100000694398 [0,0,0,1,1,0|2,0,0]=4 13537 B10R1.205 C[C@@H](O)C(=O)NCC1CC1 240690a_100000735609_100000717761 [0,0,0,1,1,0|2,0,0]=4 13538 B10R1.205 C[C@H](O)C(=O)CCC1CC1 1458a_217856618621_100000694398 [0,0,0,1,1,0|2,0,0]=4 13539 B10R1.205 C[C@H](O)C(=O)NCC1CC1 1626a_100000735609_217856618621 [0,0,0,1,1,0|2,0,0]=4 13540 B10R1.205 C[C@H](O)C(=O)NCC1CC1 240690a_100000735609_217856618621 [0,0,0,1,1,0|2,0,0]=4 13541 B12R1.1 CCCCOC1CCC(CC1)C 34a_100000210227_200011216234 [0,0,0,1,0,1|1,0,1]=4 13542 B12R1.1 CCCCOC1CCC(CC1)C 34a_100000210714_100000210210 [0,0,0,1,0,1|1,0,1]=4 13543 B12R1.1 CCCCOC1CCC(CC1)C 7a_100000210714_100000210211 [0,0,0,1,0,1|1,0,1]=4 13544 B12R1.54 CC(=CCC(=O)C1CCCC1)C 1458a_100000210718_100000761012 [0,0,0,1,0,1|1,0,1]=4 13545 B12R1.54 CC(=CCC(=O)C1CCCC1)C 1458a_100011220947_100000179811 [0,0,0,1,0,1|1,0,1]=4 13546 B12R1.54 CC(=CCC(=O)N1CCCC1)C 240690a_100000188435_100011220947 [0,0,0,1,0,1|1,0,1]=4 13547 B12R1.54 CC(=CCC(=O)N1CCCC1)C 527a_100000188435_100011220947 [0,0,0,1,0,1|1,0,1]=4 13548 B12R1.54 CC(C)C=CC(=O)C1CCCC1 1458a_100016268746_100000179811 [0,0,0,1,0,1|1,0,1]=4 13549 B12R1.54 CC(C)C=CC(=O)N1CCCC1 240690a_100000188435_100016268746 [0,0,0,1,0,1|1,0,1]=4 13550 B12R1.54 CC(C)CCC(=O)C1=CCCC1 1458a_100000038896_100000210312 [0,0,0,1,0,1|1,0,1]=4 13551 B12R1.54 CC(C)CCC(=O)C1CCCC1 1458a_100000181311_100000179811 [0,0,0,1,0,1|1,0,0]=3 13552 B12R1.54 CC(C)CCC(=O)C1CCCC1 1458a_100000210718_100000210312 [0,0,0,1,0,1|1,0,0]=3 13553 B12R1.54 CC(C)CCC(=O)C1CCCS1 1458a_100012002731_100000210312 [0,0,0,1,0,1|2,0,0]=4 13554 B12R1.54 CC(C)CCC(=O)C1CCOC1 1458a_100000181311_100000690089 [0,0,0,1,0,1|2,0,0]=4 13555 B12R1.54 CC(C)CCC(=O)C1CCOC1 1458a_100011219752_100000210312 [0,0,0,1,0,1|2,0,0]=4 13556 B12R1.54 CC(C)CCC(=O)N1CCCC1 240690a_100000188435_100000181311 [0,0,0,1,0,1|1,0,0]=3 13557 B12R1.54 CC(C)CCC(=O)N1CCCC1 527a_100000188435_100000181311 [0,0,0,1,0,1|1,0,0]=3 13558 B12R1.54 CC(C)CCC(=O)N1CCSC1 11a_100011215254_100000181311 [0,0,0,1,0,1|2,0,0]=4 13559 B12R1.54 CC(C)CCC(=O)N1CCSC1 240690a_100011215254_100000181311 [0,0,0,1,0,1|2,0,0]=4 13560 B12R1.54 CC(C)CCC(=O)N1CCSC1 527a_100011215254_100000181311 [0,0,0,1,0,1|2,0,0]=4 13561 B12R1.54 CC(C)CCC(=O)[C@@H]1CCCO1 1458a_100000686382_100000210312 [0,0,0,1,0,1|2,0,0]=4 13562 B12R1.54 CC(C)CNC(=O)C1=CCCC1 11a_100000210953_100000038896 [0,0,0,1,0,1|1,0,1]=4 13563 B12R1.54 CC(C)CNC(=O)C1=CCCC1 1626a_100000210953_100000038896 [0,0,0,1,0,1|1,0,1]=4 13564 B12R1.54 CC(C)CNC(=O)C1=CCCC1 240690a_100000210953_100000038896 [0,0,0,1,0,1|1,0,1]=4 13565 B12R1.54 CC(C)CNC(=O)C1CCCC1 11a_100000210953_100000210718 [0,0,0,1,0,1|1,0,0]=3 13566 B12R1.54 CC(C)CNC(=O)C1CCCC1 1626a_100000210953_100000210718 [0,0,0,1,0,1|1,0,0]=3 13567 B12R1.54 CC(C)CNC(=O)C1CCCC1 240690a_100000210953_100000210718 [0,0,0,1,0,1|1,0,0]=3 13568 B12R1.54 CC(C)CNC(=O)C1CCCC1 527a_100000210953_100000210718 [0,0,0,1,0,1|1,0,0]=3 13569 B12R1.54 CC(C)CNC(=O)C1CCCS1 11a_100000210953_100012002731 [0,0,0,1,0,1|2,0,0]=4 13570 B12R1.54 CC(C)CNC(=O)C1CCCS1 1626a_100000210953_100012002731 [0,0,0,1,0,1|2,0,0]=4 13571 B12R1.54 CC(C)CNC(=O)C1CCCS1 240690a_100000210953_100012002731 [0,0,0,1,0,1|2,0,0]=4 13572 B12R1.54 CC(C)CNC(=O)C1CCCS1 527a_100000210953_100012002731 [0,0,0,1,0,1|2,0,0]=4 13573 B12R1.54 CC(C)CNC(=O)C1CCOC1 11a_100000210953_100011219752 [0,0,0,1,0,1|2,0,0]=4 13574 B12R1.54 CC(C)CNC(=O)C1CCOC1 1626a_100000210953_100011219752 [0,0,0,1,0,1|2,0,0]=4 13575 B12R1.54 CC(C)CNC(=O)C1CCOC1 240690a_100000210953_100011219752 [0,0,0,1,0,1|2,0,0]=4 13576 B12R1.54 CC(C)CNC(=O)C1CCOC1 527a_100000210953_100011219752 [0,0,0,1,0,1|2,0,0]=4 13577 B12R1.54 CC(C)CNC(=O)N1CCCC1 2708a_100000210953_100000188435 [0,0,0,1,0,1|1,0,0]=3 13578 B12R1.54 CC(C)CNC(=O)N1CCCC1 273464a_100000210953_100000188435 [0,0,0,1,0,1|1,0,0]=3 13579 B12R1.54 CC(C)CNC(=O)N1CCSC1 2708a_100000210953_100011215254 [0,0,0,1,0,1|2,0,0]=4 13580 B12R1.54 CC(C)CNC(=O)N1CCSC1 273464a_100000210953_100011215254 [0,0,0,1,0,1|2,0,0]=4 13581 B12R1.54 CC(C)CNC(=O)[C@@H]1CCCO1 11a_100000210953_100000686382 [0,0,0,1,0,1|2,0,0]=4 13582 B12R1.54 CC(C)CNC(=O)[C@@H]1CCCO1 1626a_100000210953_100000686382 [0,0,0,1,0,1|2,0,0]=4 13583 B12R1.54 CC(C)CNC(=O)[C@@H]1CCCO1 240690a_100000210953_100000686382 [0,0,0,1,0,1|2,0,0]=4 13584 B12R1.54 CC(C)CNC(=O)[C@@H]1CCCO1 527a_100000210953_100000686382 [0,0,0,1,0,1|2,0,0]=4 13585 B12R1.54 CC(C)NCC(=O)N1CCCC1 2230a_100000751844_100000210206 [0,0,0,1,0,1|1,0,0]=3 13586 B12R1.54 CC(C)NCC(=O)N1CCCC1 2230a_100138425928_100000183516 [0,0,0,1,0,1|1,0,0]=3 13587 B12R1.54 CC(C)NCC(=O)N1CCCC1 34a_100138425928_100000183516 [0,0,0,1,0,1|1,0,0]=3 13588 B12R1.54 CC(C)NNC(=O)C1CCCC1 22a_100000741168_100000210718 [0,0,0,1,0,1|2,0,0]=4 13589 B12R1.54 CC(C)OCC(=O)C1CCCC1 1458a_100000745533_100000179811 [0,0,0,1,0,1|1,0,0]=3 13590 B12R1.54 CC(C)OCC(=O)C1CCOC1 1458a_100000745533_100000690089 [0,0,0,1,0,1|2,0,0]=4 13591 B12R1.54 CC(C)OCC(=O)N1CCCC1 240690a_100000188435_100000745533 [0,0,0,1,0,1|1,0,0]=3 13592 B12R1.54 CC(C)OCC(=O)N1CCCC1 34a_100000212225_100000183516 [0,0,0,1,0,1|1,0,0]=3 13593 B12R1.54 CC(C)OCC(=O)N1CCCC1 527a_100000188435_100000745533 [0,0,0,1,0,1|1,0,0]=3 13594 B12R1.54 CC(C)OCC(=O)N1CCCC1 7a_200000752455_100000210206 [0,0,0,1,0,1|1,0,0]=3 13595 B12R1.54 CC(C)OCC(=O)N1CCSC1 11a_100011215254_100000745533 [0,0,0,1,0,1|2,0,0]=4 13596 B12R1.54 CC(C)OCC(=O)N1CCSC1 240690a_100011215254_100000745533 [0,0,0,1,0,1|2,0,0]=4 13597 B12R1.54 CC(C)OCC(=O)N1CCSC1 527a_100011215254_100000745533 [0,0,0,1,0,1|2,0,0]=4 13598 B12R1.54 CC(C)SCC(=O)C1CCCC1 1458a_100000241585_100000179811 [0,0,0,1,0,1|1,0,0]=3 13599 B12R1.54 CC(C)SCC(=O)C1CCOC1 1458a_100000241585_100000690089 [0,0,0,1,0,1|2,0,0]=4 13600 B12R1.54 CC(C)SCC(=O)N1CCCC1 240690a_100000188435_100000241585 [0,0,0,1,0,1|1,0,0]=3 13601 B12R1.54 CC(C)SCC(=O)N1CCCC1 527a_100000188435_100000241585 [0,0,0,1,0,1|1,0,0]=3 13602 B12R1.54 CC(C)SCC(=O)N1CCCC1 62a_100000183516_100000210206 [0,0,0,1,0,1|1,0,0]=3 13603 B12R1.54 CC(C)SCC(=O)N1CCCC1 62a_100000210206_100000183516 [0,0,0,1,0,1|1,0,0]=3 13604 B12R1.54 CC(C)SCC(=O)N1CCSC1 11a_100011215254_100000241585 [0,0,0,1,0,1|2,0,0]=4 13605 B12R1.54 CC(C)SCC(=O)N1CCSC1 240690a_100011215254_100000241585 [0,0,0,1,0,1|2,0,0]=4 13606 B12R1.54 CC(C)SCC(=O)N1CCSC1 527a_100011215254_100000241585 [0,0,0,1,0,1|2,0,0]=4 13607 B12R1.54 CC(O)CCC(=O)C1CCCC1 1458a_100000210718_100012276601 [0,0,0,1,0,1|2,0,0]=4 13608 B12R1.54 CC(O)CNC(=O)C1CCCC1 11a_100000210904_100000210718 [0,0,0,1,0,1|2,0,0]=4 13609 B12R1.54 CC(O)CNC(=O)C1CCCC1 240690a_100000210904_100000210718 [0,0,0,1,0,1|2,0,0]=4 13610 B12R1.54 CC(O)CNC(=O)C1CCCC1 527a_100000210904_100000210718 [0,0,0,1,0,1|2,0,0]=4 13611 B12R1.54 CC(O)CNC(=O)N1CCCC1 273464a_100000210904_100000188435 [0,0,0,1,0,1|2,0,0]=4 13612 B12R1.54 CN(C)CCC(=O)N1CCCC1 2230a_100102631434_100011194422 [0,0,0,1,0,1|2,0,0]=4 13613 B12R1.54 CN(C)CCC(=O)N1CCCC1 240690a_100000188435_100000689311 [0,0,0,1,0,1|2,0,0]=4 13614 B12R1.54 CN(C)CCC(=O)N1CCCC1 269982a_100102631434_100011194422 [0,0,0,1,0,1|2,0,0]=4 13615 B12R1.54 CN(C)CCC(=O)N1CCCC1 527a_100000188435_100000689311 [0,0,0,1,0,1|2,0,0]=4 13616 B12R1.54 C[S+](C)CCC(=O)C1CCCC1 1458a_100009452791_100000179811 [0,0,0,1,0,1|2,0,0]=4 13617 B12R1.54 C[S+](C)CCC(=O)N1CCCC1 240690a_100000188435_100009452791 [0,0,0,1,0,1|2,0,0]=4 13618 B12R1.147 CC(C)CCC(=O)N[C@@H]1C[C@@H]1F 240690a_100015190264_100000181311 [0,0,0,1,0,1|2,0,0]=4 13619 B12R1.147 CC(C)CCC(=O)N[C@@H]1C[C@@H]1F 527a_100015190264_100000181311 [0,0,0,1,0,1|2,0,0]=4 13620 B12R1.147 CC(C)CCC(=O)N[C@@H]1C[C@H]1F 11a_100025746932_100000181311 [0,0,0,1,0,1|2,0,0]=4 13621 B12R1.147 CC(C)CCC(=O)N[C@@H]1C[C@H]1F 1626a_100025746932_100000181311 [0,0,0,1,0,1|2,0,0]=4 13622 B12R1.147 CC(C)CCC(=O)N[C@@H]1C[C@H]1F 240690a_100025746932_100000181311 [0,0,0,1,0,1|2,0,0]=4 13623 B12R1.147 CC(C)CCC(=O)N[C@@H]1C[C@H]1F 527a_100025746932_100000181311 [0,0,0,1,0,1|2,0,0]=4 13624 B12R1.147 CC(C)CNC(=O)N[C@@H]1C[C@@H]1F 2708a_100000210953_100015190264 [0,0,0,1,0,1|2,0,0]=4 13625 B12R1.147 CC(C)CNC(=O)N[C@@H]1C[C@@H]1F 273464a_100000210953_100015190264 [0,0,0,1,0,1|2,0,0]=4 13626 B12R1.147 CC(C)CNC(=O)N[C@@H]1C[C@@H]1F 273464a_100015190264_100000210953 [0,0,0,1,0,1|2,0,0]=4 13627 B12R1.147 CC(C)CNC(=O)N[C@@H]1C[C@@H]1F 512a_100000210953_100015190264 [0,0,0,1,0,1|2,0,0]=4 13628 B12R1.147 CC(C)CNC(=O)N[C@@H]1C[C@H]1F 2708a_100000210953_100025746932 [0,0,0,1,0,1|2,0,0]=4 13629 B12R1.147 CC(C)CNC(=O)N[C@@H]1C[C@H]1F 273464a_100000210953_100025746932 [0,0,0,1,0,1|2,0,0]=4 13630 B12R1.147 CC(C)CNC(=O)N[C@@H]1C[C@H]1F 512a_100000210953_100025746932 [0,0,0,1,0,1|2,0,0]=4 13631 B12R1.147 CC(C)CNC(=O)N[C@@H]1C[C@H]1F 512a_100025746932_100000210953 [0,0,0,1,0,1|2,0,0]=4 13632 B12R1.147 CC(C)OCC(=O)N[C@@H]1C[C@@H]1F 240690a_100015190264_100000745533 [0,0,0,1,0,1|2,0,0]=4 13633 B12R1.147 CC(C)OCC(=O)N[C@@H]1C[C@@H]1F 527a_100015190264_100000745533 [0,0,0,1,0,1|2,0,0]=4 13634 B12R1.147 CC(C)OCC(=O)N[C@@H]1C[C@H]1F 11a_100025746932_100000745533 [0,0,0,1,0,1|2,0,0]=4 13635 B12R1.147 CC(C)OCC(=O)N[C@@H]1C[C@H]1F 1626a_100025746932_100000745533 [0,0,0,1,0,1|2,0,0]=4 13636 B12R1.147 CC(C)OCC(=O)N[C@@H]1C[C@H]1F 240690a_100025746932_100000745533 [0,0,0,1,0,1|2,0,0]=4 13637 B12R1.147 CC(C)OCC(=O)N[C@@H]1C[C@H]1F 527a_100025746932_100000745533 [0,0,0,1,0,1|2,0,0]=4 13638 B12R1.147 CC(C)SCC(=O)N[C@@H]1C[C@@H]1F 240690a_100015190264_100000241585 [0,0,0,1,0,1|2,0,0]=4 13639 B12R1.147 CC(C)SCC(=O)N[C@@H]1C[C@@H]1F 527a_100015190264_100000241585 [0,0,0,1,0,1|2,0,0]=4 13640 B12R1.147 CC(C)SCC(=O)N[C@@H]1C[C@H]1F 11a_100025746932_100000241585 [0,0,0,1,0,1|2,0,0]=4 13641 B12R1.147 CC(C)SCC(=O)N[C@@H]1C[C@H]1F 1626a_100025746932_100000241585 [0,0,0,1,0,1|2,0,0]=4 13642 B12R1.147 CC(C)SCC(=O)N[C@@H]1C[C@H]1F 240690a_100025746932_100000241585 [0,0,0,1,0,1|2,0,0]=4 13643 B12R1.147 CC(C)SCC(=O)N[C@@H]1C[C@H]1F 527a_100025746932_100000241585 [0,0,0,1,0,1|2,0,0]=4 13644 B12R1.210 CC(C)NC1CCCCNC1=O 2230a_100000698827_100000210206 [0,0,0,1,0,1|1,0,0]=3 13645 B12R1.210 CC(C)NC1CCCCNC1=O 2230a_100138425928_100000735217 [0,0,0,1,0,1|1,0,0]=3 13646 B12R1.210 CC(C)NC1CCCCNC1=O 34a_100000698827_100000210206 [0,0,0,1,0,1|1,0,0]=3 13647 B12R1.210 CC(C)SC1CCCCCC1=O 62a_100000210206_100000243696 [0,0,0,1,0,1|1,0,0]=3 13648 B12R1.210 CC(C)SC1CCCCCC1=O 62a_100000243696_100000210206 [0,0,0,1,0,1|1,0,0]=3 13649 B12R1.210 CC(C)SC1CCCCNC1=O 62a_100000210206_100000735217 [0,0,0,1,0,1|1,0,0]=3 13650 B12R1.210 CC(C)SC1CCCCNC1=O 62a_100000735217_100000210206 [0,0,0,1,0,1|1,0,0]=3 13651 B12R1.230 CC(=CCC(=O)N1CCC1C)C 11a_100000755817_100011220947 [0,0,0,1,0,1|1,0,1]=4 13652 B12R1.230 CC(=CCC(=O)N1CCC1C)C 240690a_100000755817_100011220947 [0,0,0,1,0,1|1,0,1]=4 13653 B12R1.230 CC(=CCC(=O)N1CCC1C)C 527a_100000755817_100011220947 [0,0,0,1,0,1|1,0,1]=4 13654 B12R1.230 CC(C)C=CC(=O)N1CCC1C 11a_100000755817_100016268746 [0,0,0,1,0,1|1,0,1]=4 13655 B12R1.230 CC(C)C=CC(=O)N1CCC1C 240690a_100000755817_100016268746 [0,0,0,1,0,1|1,0,1]=4 13656 B12R1.230 CC(C)CCC(=O)N1CCC1C 11a_100000755817_100000181311 [0,0,0,1,0,1|1,0,0]=3 13657 B12R1.230 CC(C)CCC(=O)N1CCC1C 240690a_100000755817_100000181311 [0,0,0,1,0,1|1,0,0]=3 13658 B12R1.230 CC(C)CCC(=O)N1CCC1C 527a_100000755817_100000181311 [0,0,0,1,0,1|1,0,0]=3 13659 B12R1.230 CC(C)CNC(=O)N1CCC1C 2708a_100000210953_100000755817 [0,0,0,1,0,1|1,0,0]=3 13660 B12R1.230 CC(C)CNC(=O)N1CCC1C 273464a_100000210953_100000755817 [0,0,0,1,0,1|1,0,0]=3 13661 B12R1.230 CC(C)OCC(=O)N1CCC1C 11a_100000755817_100000745533 [0,0,0,1,0,1|1,0,0]=3 13662 B12R1.230 CC(C)OCC(=O)N1CCC1C 240690a_100000755817_100000745533 [0,0,0,1,0,1|1,0,0]=3 13663 B12R1.230 CC(C)OCC(=O)N1CCC1C 527a_100000755817_100000745533 [0,0,0,1,0,1|1,0,0]=3 13664 B12R1.230 CC(C)SCC(=O)N1CCC1C 11a_100000755817_100000241585 [0,0,0,1,0,1|1,0,0]=3 13665 B12R1.230 CC(C)SCC(=O)N1CCC1C 240690a_100000755817_100000241585 [0,0,0,1,0,1|1,0,0]=3 13666 B12R1.230 CC(C)SCC(=O)N1CCC1C 527a_100000755817_100000241585 [0,0,0,1,0,1|1,0,0]=3 13667 B12R1.230 CC(O)CNC(=O)N1CCC1C 273464a_100000210904_100000755817 [0,0,0,1,0,1|2,0,0]=4 13668 B12R1.230 CC1CCN1C(=O)CCN(C)C 11a_100000755817_100000689311 [0,0,0,1,0,1|2,0,0]=4 13669 B12R1.230 CC1CCN1C(=O)CCN(C)C 240690a_100000755817_100000689311 [0,0,0,1,0,1|2,0,0]=4 13670 B12R1.230 CC1CCN1C(=O)CCN(C)C 527a_100000755817_100000689311 [0,0,0,1,0,1|2,0,0]=4 13671 B12R1.230 CC1CCN1C(=O)CC[S+](C)C 11a_100000755817_100009452791 [0,0,0,1,0,1|2,0,0]=4 13672 B12R1.230 CC1CCN1C(=O)CC[S+](C)C 240690a_100000755817_100009452791 [0,0,0,1,0,1|2,0,0]=4 13673 B12R1.397 CCC1CC1C(=O)CC=C(C)C 1458a_200011661523_100000761012 [0,0,0,1,0,1|1,0,1]=4 13674 B12R1.397 CCC1CC1C(=O)CCC(C)C 1458a_200011661523_100000210312 [0,0,0,1,0,1|1,0,0]=3 13675 B12R1.397 CCC1CC1C(=O)CCC(C)O 1458a_200011661523_100012276601 [0,0,0,1,0,1|2,0,0]=4 13676 B12R1.397 CCC1CC1C(=O)NCC(C)C 11a_100000210953_200011661523 [0,0,0,1,0,1|1,0,0]=3 13677 B12R1.397 CCC1CC1C(=O)NCC(C)C 1626a_100000210953_200011661523 [0,0,0,1,0,1|1,0,0]=3 13678 B12R1.397 CCC1CC1C(=O)NCC(C)C 240690a_100000210953_200011661523 [0,0,0,1,0,1|1,0,0]=3 13679 B12R1.397 CCC1CC1C(=O)NCC(C)C 527a_100000210953_200011661523 [0,0,0,1,0,1|1,0,0]=3 13680 B12R1.397 CCC1CC1C(=O)NCC(C)O 11a_100000210904_200011661523 [0,0,0,1,0,1|2,0,0]=4 13681 B12R1.397 CCC1CC1C(=O)NCC(C)O 240690a_100000210904_200011661523 [0,0,0,1,0,1|2,0,0]=4 13682 B12R1.397 CCC1CC1C(=O)NCC(C)O 527a_100000210904_200011661523 [0,0,0,1,0,1|2,0,0]=4 13683 B12R1.397 CCC1CC1C(=O)NNC(C)C 22a_100000741168_200011661523 [0,0,0,1,0,1|2,0,0]=4 13684 B12R1.482 CCCCCC(=O)N[C@@H]1C[C@@H]1F 240690a_100015190264_100000212188 [0,0,0,1,0,1|2,0,0]=4 13685 B12R1.482 CCCCCC(=O)N[C@@H]1C[C@@H]1F 527a_100015190264_100000212188 [0,0,0,1,0,1|2,0,0]=4 13686 B12R1.482 CCCCCC(=O)N[C@@H]1C[C@H]1F 11a_100025746932_100000212188 [0,0,0,1,0,1|2,0,0]=4 13687 B12R1.482 CCCCCC(=O)N[C@@H]1C[C@H]1F 1626a_100025746932_100000212188 [0,0,0,1,0,1|2,0,0]=4 13688 B12R1.482 CCCCCC(=O)N[C@@H]1C[C@H]1F 240690a_100025746932_100000212188 [0,0,0,1,0,1|2,0,0]=4 13689 B12R1.482 CCCCCC(=O)N[C@@H]1C[C@H]1F 527a_100025746932_100000212188 [0,0,0,1,0,1|2,0,0]=4 13690 B12R1.482 CCCCNC(=O)N[C@@H]1C[C@@H]1F 2708a_100000102301_100015190264 [0,0,0,1,0,1|2,0,0]=4 13691 B12R1.482 CCCCNC(=O)N[C@@H]1C[C@@H]1F 273464a_100000102301_100015190264 [0,0,0,1,0,1|2,0,0]=4 13692 B12R1.482 CCCCNC(=O)N[C@@H]1C[C@@H]1F 273464a_100015190264_100000102301 [0,0,0,1,0,1|2,0,0]=4 13693 B12R1.482 CCCCNC(=O)N[C@@H]1C[C@@H]1F 512a_100000102301_100015190264 [0,0,0,1,0,1|2,0,0]=4 13694 B12R1.482 CCCCNC(=O)N[C@@H]1C[C@H]1F 2708a_100000102301_100025746932 [0,0,0,1,0,1|2,0,0]=4 13695 B12R1.482 CCCCNC(=O)N[C@@H]1C[C@H]1F 273464a_100000102301_100025746932 [0,0,0,1,0,1|2,0,0]=4 13696 B12R1.482 CCCCNC(=O)N[C@@H]1C[C@H]1F 512a_100000102301_100025746932 [0,0,0,1,0,1|2,0,0]=4 13697 B12R1.482 CCCCNC(=O)N[C@@H]1C[C@H]1F 512a_100025746932_100000102301 [0,0,0,1,0,1|2,0,0]=4 13698 B12R1.484 CCCC#CC(=O)CCC1CC1 1458a_200011218047_100000694398 [0,0,0,1,0,1|1,0,1]=4 13699 B12R1.484 CCCC#CC(=O)NCC1CC1 240690a_100000735609_200011218047 [0,0,0,1,0,1|1,0,1]=4 13700 B12R1.484 CCCC=CC(=O)CCC1CC1 1458a_100000212230_100000694398 [0,0,0,1,0,1|1,0,1]=4 13701 B12R1.484 CCCC=CC(=O)NCC1CC1 11a_100000735609_100000212230 [0,0,0,1,0,1|1,0,1]=4 13702 B12R1.484 CCCC=CC(=O)NCC1CC1 1626a_100000735609_100000212230 [0,0,0,1,0,1|1,0,1]=4 13703 B12R1.484 CCCC=CC(=O)NCC1CC1 240690a_100000735609_100000212230 [0,0,0,1,0,1|1,0,1]=4 13704 B12R1.484 CCCCCC(=O)C=CC1CC1 1458a_100102529529_100000210326 [0,0,0,1,0,1|1,0,1]=4 13705 B12R1.484 CCCCCC(=O)CCC1CC1 1458a_100000212188_100000694398 [0,0,0,1,0,1|1,0,0]=3 13706 B12R1.484 CCCCCC(=O)CCC1CC1 1458a_100000756386_100000210326 [0,0,0,1,0,1|1,0,0]=3 13707 B12R1.484 CCCCCC(=O)CCC1CO1 1458a_100000212188_100000732470 [0,0,0,1,0,1|2,0,0]=4 13708 B12R1.484 CCCCCC(=O)CNC1CC1 34a_100000212008_200012276598 [0,0,0,1,0,1|1,0,0]=3 13709 B12R1.484 CCCCCC(=O)CSC1CC1 62a_200012276598_100000211595 [0,0,0,1,0,1|1,0,0]=3 13710 B12R1.484 CCCCCC(=O)NCC1CC1 11a_100000735609_100000212188 [0,0,0,1,0,1|1,0,0]=3 13711 B12R1.484 CCCCCC(=O)NCC1CC1 1626a_100000735609_100000212188 [0,0,0,1,0,1|1,0,0]=3 13712 B12R1.484 CCCCCC(=O)NCC1CC1 240690a_100000735609_100000212188 [0,0,0,1,0,1|1,0,0]=3 13713 B12R1.484 CCCCCC(=O)NCC1CC1 527a_100000735609_100000212188 [0,0,0,1,0,1|1,0,0]=3 13714 B12R1.484 CCCCCC(=O)NNC1CC1 22a_100000701032_100000212188 [0,0,0,1,0,1|2,0,0]=4 13715 B12R1.484 CCCCNC(=O)C=CC1CC1 11a_100000102301_100102529529 [0,0,0,1,0,1|1,0,1]=4 13716 B12R1.484 CCCCNC(=O)C=CC1CC1 1626a_100000102301_100102529529 [0,0,0,1,0,1|1,0,1]=4 13717 B12R1.484 CCCCNC(=O)C=CC1CC1 240690a_100000102301_100102529529 [0,0,0,1,0,1|1,0,1]=4 13718 B12R1.484 CCCCNC(=O)CCC1CC1 11a_100000102301_100000756386 [0,0,0,1,0,1|1,0,0]=3 13719 B12R1.484 CCCCNC(=O)CCC1CC1 1626a_100000102301_100000756386 [0,0,0,1,0,1|1,0,0]=3 13720 B12R1.484 CCCCNC(=O)CCC1CC1 240690a_100000102301_100000756386 [0,0,0,1,0,1|1,0,0]=3 13721 B12R1.484 CCCCNC(=O)CCC1CC1 527a_100000102301_100000756386 [0,0,0,1,0,1|1,0,0]=3 13722 B12R1.484 CCCCNC(=O)CNC1CC1 34a_100000212008_100000182744 [0,0,0,1,0,1|1,0,0]=3 13723 B12R1.484 CCCCNC(=O)CSC1CC1 62a_100000182744_100000211595 [0,0,0,1,0,1|1,0,0]=3 13724 B12R1.484 CCCCNC(=O)NCC1CC1 2708a_100000102301_100000735609 [0,0,0,1,0,1|1,0,0]=3 13725 B12R1.484 CCCCNC(=O)NCC1CC1 2708a_100000735609_100000102301 [0,0,0,1,0,1|1,0,0]=3 13726 B12R1.484 CCCCNC(=O)NCC1CC1 273464a_100000102301_100000735609 [0,0,0,1,0,1|1,0,0]=3 13727 B12R1.484 CCCCNC(=O)NCC1CC1 273464a_100000735609_100000102301 [0,0,0,1,0,1|1,0,0]=3 13728 B12R1.484 CCCCNC(=O)NCC1CC1 512a_100000102301_100000735609 [0,0,0,1,0,1|1,0,0]=3 13729 B12R1.484 CCCCNC(=O)NCC1CC1 512a_100000735609_100000102301 [0,0,0,1,0,1|1,0,0]=3 13730 B12R1.484 CCCCNC(=O)NNC1CC1 273464a_100000102301_100000701032 [0,0,0,1,0,1|2,0,0]=4 13731 B12R1.484 CCCCNC(=O)NNC1CC1 512a_100000102301_100000701032 [0,0,0,1,0,1|2,0,0]=4 13732 B12R1.484 CCCCNC(=O)NNC1CC1 512a_100000701032_100000102301 [0,0,0,1,0,1|2,0,0]=4 13733 B12R1.484 CCCCOC(=O)CNC1CC1 34a_100000212008_100000211628 [0,0,0,1,0,1|0,0,0]=2 13734 B12R1.484 CCCCOC(=O)CSC1CC1 62a_100000211628_100000211595 [0,0,0,1,0,1|0,0,0]=2 13735 B12R1.484 CCCNNC(=O)CCC1CC1 22a_100000740057_100000756386 [0,0,0,1,0,1|2,0,0]=4 13736 B12R1.484 CCCNNC(=O)NCC1CC1 273464a_100000735609_100000740057 [0,0,0,1,0,1|2,0,0]=4 13737 B12R1.484 CCCNNC(=O)NCC1CC1 512a_100000735609_100000740057 [0,0,0,1,0,1|2,0,0]=4 13738 B12R1.484 CCCNNC(=O)NCC1CC1 512a_100000740057_100000735609 [0,0,0,1,0,1|2,0,0]=4 13739 B12R1.484 CCCOCC(=O)CCC1CC1 1458a_100000745993_100000694398 [0,0,0,1,0,1|2,0,0]=4 13740 B12R1.484 CCCOCC(=O)NCC1CC1 11a_100000735609_100000745993 [0,0,0,1,0,1|2,0,0]=4 13741 B12R1.484 CCCOCC(=O)NCC1CC1 1626a_100000735609_100000745993 [0,0,0,1,0,1|2,0,0]=4 13742 B12R1.484 CCCOCC(=O)NCC1CC1 240690a_100000735609_100000745993 [0,0,0,1,0,1|2,0,0]=4 13743 B12R1.484 CCCOCC(=O)NCC1CC1 527a_100000735609_100000745993 [0,0,0,1,0,1|2,0,0]=4 13744 B12R1.484 CCCSCC(=O)CCC1CC1 1458a_100000217233_100000694398 [0,0,0,1,0,1|2,0,0]=4 13745 B12R1.484 CCCSCC(=O)NCC1CC1 11a_100000735609_100000217233 [0,0,0,1,0,1|2,0,0]=4 13746 B12R1.484 CCCSCC(=O)NCC1CC1 1626a_100000735609_100000217233 [0,0,0,1,0,1|2,0,0]=4 13747 B12R1.484 CCCSCC(=O)NCC1CC1 240690a_100000735609_100000217233 [0,0,0,1,0,1|2,0,0]=4 13748 B12R1.484 CCCSCC(=O)NCC1CC1 527a_100000735609_100000217233 [0,0,0,1,0,1|2,0,0]=4 13749 B12R1.484 CCOCCC(=O)CCC1CC1 1458a_100000749530_100000694398 [0,0,0,1,0,1|2,0,0]=4 13750 B12R1.484 CCOCCC(=O)CCC1CC1 1458a_100000756386_100011215890 [0,0,0,1,0,1|2,0,0]=4 13751 B12R1.484 CCOCCC(=O)NCC1CC1 11a_100000735609_100000749530 [0,0,0,1,0,1|2,0,0]=4 13752 B12R1.484 CCOCCC(=O)NCC1CC1 1626a_100000735609_100000749530 [0,0,0,1,0,1|2,0,0]=4 13753 B12R1.484 CCOCCC(=O)NCC1CC1 240690a_100000735609_100000749530 [0,0,0,1,0,1|2,0,0]=4 13754 B12R1.484 CCOCCC(=O)NCC1CC1 527a_100000735609_100000749530 [0,0,0,1,0,1|2,0,0]=4 13755 B12R1.484 CCSCCC(=O)CCC1CC1 1458a_100000230768_100000694398 [0,0,0,1,0,1|2,0,0]=4 13756 B12R1.484 CCSCCC(=O)CCC1CC1 1458a_100000756386_100000757381 [0,0,0,1,0,1|2,0,0]=4 13757 B12R1.484 CCSCCC(=O)NCC1CC1 11a_100000735609_100000230768 [0,0,0,1,0,1|2,0,0]=4 13758 B12R1.484 CCSCCC(=O)NCC1CC1 1626a_100000735609_100000230768 [0,0,0,1,0,1|2,0,0]=4 13759 B12R1.484 CCSCCC(=O)NCC1CC1 240690a_100000735609_100000230768 [0,0,0,1,0,1|2,0,0]=4 13760 B12R1.484 CCSCCC(=O)NCC1CC1 527a_100000735609_100000230768 [0,0,0,1,0,1|2,0,0]=4 13761 B12R1.484 COCCCC(=O)CCC1CC1 1458a_100000741012_100000694398 [0,0,0,1,0,1|2,0,0]=4 13762 B12R1.484 COCCCC(=O)CCC1CC1 1458a_100000756386_100000740836 [0,0,0,1,0,1|2,0,0]=4 13763 B12R1.484 COCCCC(=O)NCC1CC1 11a_100000735609_100000741012 [0,0,0,1,0,1|2,0,0]=4 13764 B12R1.484 COCCCC(=O)NCC1CC1 1626a_100000735609_100000741012 [0,0,0,1,0,1|2,0,0]=4 13765 B12R1.484 COCCCC(=O)NCC1CC1 240690a_100000735609_100000741012 [0,0,0,1,0,1|2,0,0]=4 13766 B12R1.484 COCCCC(=O)NCC1CC1 527a_100000735609_100000741012 [0,0,0,1,0,1|2,0,0]=4 13767 B12R1.484 COCCNC(=O)CCC1CC1 1626a_100000209980_100000756386 [0,0,0,1,0,1|2,0,0]=4 13768 B12R1.484 COCCNC(=O)CCC1CC1 240690a_100000209980_100000756386 [0,0,0,1,0,1|2,0,0]=4 13769 B12R1.484 COCCNC(=O)CCC1CC1 527a_100000209980_100000756386 [0,0,0,1,0,1|2,0,0]=4 13770 B12R1.484 COCCNC(=O)CNC1CC1 34a_100000212008_100000183275 [0,0,0,1,0,1|2,0,0]=4 13771 B12R1.484 COCCNC(=O)CSC1CC1 62a_100000183275_100000211595 [0,0,0,1,0,1|2,0,0]=4 13772 B12R1.484 COCCNC(=O)NCC1CC1 2708a_100000735609_100000209980 [0,0,0,1,0,1|2,0,0]=4 13773 B12R1.484 COCCNC(=O)NCC1CC1 273464a_100000209980_100000735609 [0,0,0,1,0,1|2,0,0]=4 13774 B12R1.484 COCCNC(=O)NCC1CC1 273464a_100000735609_100000209980 [0,0,0,1,0,1|2,0,0]=4 13775 B12R1.484 COCCOC(=O)CNC1CC1 34a_100000212008_200000040189 [0,0,0,1,0,1|1,0,0]=3 13776 B12R1.484 COCCOC(=O)CSC1CC1 62a_200000040189_100000211595 [0,0,0,1,0,1|1,0,0]=3 13777 B12R1.484 CSCCCC(=O)CCC1CC1 1458a_100000173376_100000694398 [0,0,0,1,0,1|2,0,0]=4 13778 B12R1.484 CSCCCC(=O)NCC1CC1 11a_100000735609_100000173376 [0,0,0,1,0,1|2,0,0]=4 13779 B12R1.484 CSCCCC(=O)NCC1CC1 1626a_100000735609_100000173376 [0,0,0,1,0,1|2,0,0]=4 13780 B12R1.484 CSCCCC(=O)NCC1CC1 240690a_100000735609_100000173376 [0,0,0,1,0,1|2,0,0]=4 13781 B12R1.484 CSCCCC(=O)NCC1CC1 527a_100000735609_100000173376 [0,0,0,1,0,1|2,0,0]=4 13782 B12R1.484 CSCCNC(=O)CCC1CC1 11a_100020590264_100000756386 [0,0,0,1,0,1|2,0,0]=4 13783 B12R1.484 CSCCNC(=O)CCC1CC1 1626a_100020590264_100000756386 [0,0,0,1,0,1|2,0,0]=4 13784 B12R1.484 CSCCNC(=O)CCC1CC1 240690a_100020590264_100000756386 [0,0,0,1,0,1|2,0,0]=4 13785 B12R1.484 CSCCNC(=O)CCC1CC1 527a_100020590264_100000756386 [0,0,0,1,0,1|2,0,0]=4 13786 B12R1.484 CSCCNC(=O)NCC1CC1 2708a_100000735609_100020590264 [0,0,0,1,0,1|2,0,0]=4 13787 B12R1.484 CSCCNC(=O)NCC1CC1 2708a_100020590264_100000735609 [0,0,0,1,0,1|2,0,0]=4 13788 B12R1.484 CSCCNC(=O)NCC1CC1 273464a_100000735609_100020590264 [0,0,0,1,0,1|2,0,0]=4 13789 B12R1.484 CSCCNC(=O)NCC1CC1 273464a_100020590264_100000735609 [0,0,0,1,0,1|2,0,0]=4 13790 B12R1.484 CSCCNC(=O)NCC1CC1 512a_100000735609_100020590264 [0,0,0,1,0,1|2,0,0]=4 13791 B12R1.484 CSCCNC(=O)NCC1CC1 512a_100020590264_100000735609 [0,0,0,1,0,1|2,0,0]=4 13792 B12R1.484 O=C(CCC1CC1)NCCCF 11a_100015189416_100000756386 [0,0,0,1,0,1|2,0,0]=4 13793 B12R1.484 O=C(CCC1CC1)NCCCF 1626a_100015189416_100000756386 [0,0,0,1,0,1|2,0,0]=4 13794 B12R1.484 O=C(CCC1CC1)NCCCF 240690a_100015189416_100000756386 [0,0,0,1,0,1|2,0,0]=4 13795 B12R1.484 O=C(CCC1CC1)NCCCF 527a_100015189416_100000756386 [0,0,0,1,0,1|2,0,0]=4 13796 B12R1.484 O=C(CCC1CC1)NCCCO 240690a_100000182051_100000756386 [0,0,0,1,0,1|2,0,0]=4 13797 B12R1.484 O=C(CCC1CC1)NCCCO 527a_100000182051_100000756386 [0,0,0,1,0,1|2,0,0]=4 13798 B12R1.484 O=C(CCCCF)CCC1CC1 1458a_100000756386_100000729493 [0,0,0,1,0,1|2,0,0]=4 13799 B12R1.484 O=C(CCCCO)CCC1CC1 1458a_100000695505_100000694398 [0,0,0,1,0,1|2,0,0]=4 13800 B12R1.484 O=C(CCCCO)CCC1CC1 1458a_100000756386_100000210776 [0,0,0,1,0,1|2,0,0]=4 13801 B12R1.484 O=C(CCCCO)NCC1CC1 1626a_100000735609_100000695505 [0,0,0,1,0,1|2,0,0]=4 13802 B12R1.484 O=C(NCCCF)NCC1CC1 2708a_100000735609_100015189416 [0,0,0,1,0,1|2,0,0]=4 13803 B12R1.484 O=C(NCCCF)NCC1CC1 2708a_100015189416_100000735609 [0,0,0,1,0,1|2,0,0]=4 13804 B12R1.484 O=C(NCCCF)NCC1CC1 273464a_100000735609_100015189416 [0,0,0,1,0,1|2,0,0]=4 13805 B12R1.484 O=C(NCCCF)NCC1CC1 273464a_100015189416_100000735609 [0,0,0,1,0,1|2,0,0]=4 13806 B12R1.484 O=C(NCCCF)NCC1CC1 512a_100000735609_100015189416 [0,0,0,1,0,1|2,0,0]=4 13807 B12R1.484 O=C(NCCCF)NCC1CC1 512a_100015189416_100000735609 [0,0,0,1,0,1|2,0,0]=4 13808 B12R1.484 O=C(NCCCO)NCC1CC1 2708a_100000735609_100000182051 [0,0,0,1,0,1|2,0,0]=4 13809 B12R1.484 O=C(NCCCO)NCC1CC1 273464a_100000182051_100000735609 [0,0,0,1,0,1|2,0,0]=4 13810 B12R1.484 O=C(NCCCO)NCC1CC1 273464a_100000735609_100000182051 [0,0,0,1,0,1|2,0,0]=4 13811 B12R1.484 O=C(NCCCO)NCC1CC1 512a_100000735609_100000182051 [0,0,0,1,0,1|2,0,0]=4 13812 B12R1.486 CC1CC(C1)C(=O)CCCCF 1458a_100000686124_100000729493 [0,0,0,1,0,1|2,0,0]=4 13813 B12R1.486 CC1CC(C1)C(=O)CCCCO 1458a_100000686124_100000210776 [0,0,0,1,0,1|2,0,0]=4 13814 B12R1.486 CC1CC(C1)C(=O)NCCCF 11a_100015189416_100000686124 [0,0,0,1,0,1|2,0,0]=4 13815 B12R1.486 CC1CC(C1)C(=O)NCCCF 1626a_100015189416_100000686124 [0,0,0,1,0,1|2,0,0]=4 13816 B12R1.486 CC1CC(C1)C(=O)NCCCF 240690a_100015189416_100000686124 [0,0,0,1,0,1|2,0,0]=4 13817 B12R1.486 CC1CC(C1)C(=O)NCCCF 527a_100015189416_100000686124 [0,0,0,1,0,1|2,0,0]=4 13818 B12R1.486 CC1CC(C1)C(=O)NCCCO 240690a_100000182051_100000686124 [0,0,0,1,0,1|2,0,0]=4 13819 B12R1.486 CC1CC(C1)C(=O)NCCCO 527a_100000182051_100000686124 [0,0,0,1,0,1|2,0,0]=4 13820 B12R1.486 CC1CN(C1)C(=O)NCCCF 2708a_100015189416_100000702820 [0,0,0,1,0,1|2,0,0]=4 13821 B12R1.486 CC1CN(C1)C(=O)NCCCF 273464a_100015189416_100000702820 [0,0,0,1,0,1|2,0,0]=4 13822 B12R1.486 CC1CN(C1)C(=O)NCCCO 273464a_100000182051_100000702820 [0,0,0,1,0,1|2,0,0]=4 13823 B12R1.486 CCCC#CC(=O)N1CC(C1)C 240690a_100000702820_200011218047 [0,0,0,1,0,1|1,0,1]=4 13824 B12R1.486 CCCC=CC(=O)N1CC(C1)C 11a_100000702820_100000212230 [0,0,0,1,0,1|1,0,1]=4 13825 B12R1.486 CCCC=CC(=O)N1CC(C1)C 240690a_100000702820_100000212230 [0,0,0,1,0,1|1,0,1]=4 13826 B12R1.486 CCCCCC(=O)C1CC(C1)C 1458a_100000686124_100000210326 [0,0,0,1,0,1|1,0,0]=3 13827 B12R1.486 CCCCCC(=O)C1CC(C1)F 1458a_100000062598_100000210326 [0,0,0,1,0,1|2,0,0]=4 13828 B12R1.486 CCCCCC(=O)C1CN(C1)C 1458a_100012002723_100000210326 [0,0,0,1,0,1|2,0,0]=4 13829 B12R1.486 CCCCCC(=O)N1CC(C1)C 11a_100000702820_100000212188 [0,0,0,1,0,1|1,0,0]=3 13830 B12R1.486 CCCCCC(=O)N1CC(C1)C 240690a_100000702820_100000212188 [0,0,0,1,0,1|1,0,0]=3 13831 B12R1.486 CCCCCC(=O)N1CC(C1)C 527a_100000702820_100000212188 [0,0,0,1,0,1|1,0,0]=3 13832 B12R1.486 CCCCCC(=O)N1CC(C1)F 11a_100000690557_100000212188 [0,0,0,1,0,1|2,0,0]=4 13833 B12R1.486 CCCCCC(=O)N1CC(C1)F 240690a_100000690557_100000212188 [0,0,0,1,0,1|2,0,0]=4 13834 B12R1.486 CCCCCC(=O)N1CC(C1)F 527a_100000690557_100000212188 [0,0,0,1,0,1|2,0,0]=4 13835 B12R1.486 CCCCCC(=O)N1CC(C1)O 11a_100000749847_100000212188 [0,0,0,1,0,1|2,0,0]=4 13836 B12R1.486 CCCCCC(=O)N1CC(C1)O 240690a_100000749847_100000212188 [0,0,0,1,0,1|2,0,0]=4 13837 B12R1.486 CCCCCC(=O)N1CC(C1)O 527a_100000749847_100000212188 [0,0,0,1,0,1|2,0,0]=4 13838 B12R1.486 CCCCCC(=O)[C@H]1C[C@H](C1)O 1458a_100015266633_100000210326 [0,0,0,1,0,1|2,0,0]=4 13839 B12R1.486 CCCCNC(=O)C1CC(C1)C 11a_100000102301_100000686124 [0,0,0,1,0,1|1,0,0]=3 13840 B12R1.486 CCCCNC(=O)C1CC(C1)C 1626a_100000102301_100000686124 [0,0,0,1,0,1|1,0,0]=3 13841 B12R1.486 CCCCNC(=O)C1CC(C1)C 240690a_100000102301_100000686124 [0,0,0,1,0,1|1,0,0]=3 13842 B12R1.486 CCCCNC(=O)C1CC(C1)C 527a_100000102301_100000686124 [0,0,0,1,0,1|1,0,0]=3 13843 B12R1.486 CCCCNC(=O)C1CC(C1)F 11a_100000102301_100000062598 [0,0,0,1,0,1|2,0,0]=4 13844 B12R1.486 CCCCNC(=O)C1CC(C1)F 1626a_100000102301_100000062598 [0,0,0,1,0,1|2,0,0]=4 13845 B12R1.486 CCCCNC(=O)C1CC(C1)F 240690a_100000102301_100000062598 [0,0,0,1,0,1|2,0,0]=4 13846 B12R1.486 CCCCNC(=O)C1CC(C1)F 527a_100000102301_100000062598 [0,0,0,1,0,1|2,0,0]=4 13847 B12R1.486 CCCCNC(=O)C1CN(C1)C 240690a_100000102301_100012002723 [0,0,0,1,0,1|2,0,0]=4 13848 B12R1.486 CCCCNC(=O)N1CC(C1)C 2708a_100000102301_100000702820 [0,0,0,1,0,1|1,0,0]=3 13849 B12R1.486 CCCCNC(=O)N1CC(C1)C 273464a_100000102301_100000702820 [0,0,0,1,0,1|1,0,0]=3 13850 B12R1.486 CCCCNC(=O)N1CC(C1)F 2708a_100000102301_100000690557 [0,0,0,1,0,1|2,0,0]=4 13851 B12R1.486 CCCCNC(=O)N1CC(C1)F 273464a_100000102301_100000690557 [0,0,0,1,0,1|2,0,0]=4 13852 B12R1.486 CCCCNC(=O)N1CC(C1)O 2708a_100000102301_100000749847 [0,0,0,1,0,1|2,0,0]=4 13853 B12R1.486 CCCCNC(=O)N1CC(C1)O 273464a_100000102301_100000749847 [0,0,0,1,0,1|2,0,0]=4 13854 B12R1.486 CCCCNC(=O)[C@H]1C[C@H](C1)O 240690a_100000102301_100015266633 [0,0,0,1,0,1|2,0,0]=4 13855 B12R1.486 CCCCNC(=O)[C@H]1C[C@H](C1)O 527a_100000102301_100015266633 [0,0,0,1,0,1|2,0,0]=4 13856 B12R1.486 CCCNNC(=O)C1CC(C1)C 22a_100000740057_100000686124 [0,0,0,1,0,1|2,0,0]=4 13857 B12R1.486 CCCOCC(=O)N1CC(C1)C 11a_100000702820_100000745993 [0,0,0,1,0,1|2,0,0]=4 13858 B12R1.486 CCCOCC(=O)N1CC(C1)C 240690a_100000702820_100000745993 [0,0,0,1,0,1|2,0,0]=4 13859 B12R1.486 CCCOCC(=O)N1CC(C1)C 527a_100000702820_100000745993 [0,0,0,1,0,1|2,0,0]=4 13860 B12R1.486 CCCSCC(=O)N1CC(C1)C 11a_100000702820_100000217233 [0,0,0,1,0,1|2,0,0]=4 13861 B12R1.486 CCCSCC(=O)N1CC(C1)C 240690a_100000702820_100000217233 [0,0,0,1,0,1|2,0,0]=4 13862 B12R1.486 CCCSCC(=O)N1CC(C1)C 527a_100000702820_100000217233 [0,0,0,1,0,1|2,0,0]=4 13863 B12R1.486 CCOCCC(=O)C1CC(C1)C 1458a_100000686124_100011215890 [0,0,0,1,0,1|2,0,0]=4 13864 B12R1.486 CCOCCC(=O)N1CC(C1)C 11a_100000702820_100000749530 [0,0,0,1,0,1|2,0,0]=4 13865 B12R1.486 CCOCCC(=O)N1CC(C1)C 240690a_100000702820_100000749530 [0,0,0,1,0,1|2,0,0]=4 13866 B12R1.486 CCOCCC(=O)N1CC(C1)C 527a_100000702820_100000749530 [0,0,0,1,0,1|2,0,0]=4 13867 B12R1.486 CCSCCC(=O)C1CC(C1)C 1458a_100000686124_100000757381 [0,0,0,1,0,1|2,0,0]=4 13868 B12R1.486 CCSCCC(=O)N1CC(C1)C 11a_100000702820_100000230768 [0,0,0,1,0,1|2,0,0]=4 13869 B12R1.486 CCSCCC(=O)N1CC(C1)C 240690a_100000702820_100000230768 [0,0,0,1,0,1|2,0,0]=4 13870 B12R1.486 CCSCCC(=O)N1CC(C1)C 527a_100000702820_100000230768 [0,0,0,1,0,1|2,0,0]=4 13871 B12R1.486 COCCCC(=O)C1CC(C1)C 1458a_100000686124_100000740836 [0,0,0,1,0,1|2,0,0]=4 13872 B12R1.486 COCCCC(=O)N1CC(C1)C 11a_100000702820_100000741012 [0,0,0,1,0,1|2,0,0]=4 13873 B12R1.486 COCCCC(=O)N1CC(C1)C 240690a_100000702820_100000741012 [0,0,0,1,0,1|2,0,0]=4 13874 B12R1.486 COCCCC(=O)N1CC(C1)C 527a_100000702820_100000741012 [0,0,0,1,0,1|2,0,0]=4 13875 B12R1.486 COCCNC(=O)C1CC(C1)C 1626a_100000209980_100000686124 [0,0,0,1,0,1|2,0,0]=4 13876 B12R1.486 COCCNC(=O)C1CC(C1)C 240690a_100000209980_100000686124 [0,0,0,1,0,1|2,0,0]=4 13877 B12R1.486 COCCNC(=O)C1CC(C1)C 527a_100000209980_100000686124 [0,0,0,1,0,1|2,0,0]=4 13878 B12R1.486 COCCNC(=O)N1CC(C1)C 273464a_100000209980_100000702820 [0,0,0,1,0,1|2,0,0]=4 13879 B12R1.486 CSCCCC(=O)N1CC(C1)C 11a_100000702820_100000173376 [0,0,0,1,0,1|2,0,0]=4 13880 B12R1.486 CSCCCC(=O)N1CC(C1)C 240690a_100000702820_100000173376 [0,0,0,1,0,1|2,0,0]=4 13881 B12R1.486 CSCCCC(=O)N1CC(C1)C 527a_100000702820_100000173376 [0,0,0,1,0,1|2,0,0]=4 13882 B12R1.486 CSCCNC(=O)C1CC(C1)C 11a_100020590264_100000686124 [0,0,0,1,0,1|2,0,0]=4 13883 B12R1.486 CSCCNC(=O)C1CC(C1)C 1626a_100020590264_100000686124 [0,0,0,1,0,1|2,0,0]=4 13884 B12R1.486 CSCCNC(=O)C1CC(C1)C 240690a_100020590264_100000686124 [0,0,0,1,0,1|2,0,0]=4 13885 B12R1.486 CSCCNC(=O)C1CC(C1)C 527a_100020590264_100000686124 [0,0,0,1,0,1|2,0,0]=4 13886 B12R1.486 CSCCNC(=O)N1CC(C1)C 2708a_100020590264_100000702820 [0,0,0,1,0,1|2,0,0]=4 13887 B12R1.486 CSCCNC(=O)N1CC(C1)C 273464a_100020590264_100000702820 [0,0,0,1,0,1|2,0,0]=4 13888 B12R1.551 CC(=CCC(=O)CC1CCC1)C 1458a_100000763092_100000761012 [0,0,0,1,0,1|1,0,1]=4 13889 B12R1.551 CC(=CCC(=O)CC1CCC1)C 1458a_100011220947_100000763275 [0,0,0,1,0,1|1,0,1]=4 13890 B12R1.551 CC(=CCC(=O)NC1CCC1)C 11a_100000749019_100011220947 [0,0,0,1,0,1|1,0,1]=4 13891 B12R1.551 CC(=CCC(=O)NC1CCC1)C 1626a_100000749019_100011220947 [0,0,0,1,0,1|1,0,1]=4 13892 B12R1.551 CC(=CCC(=O)NC1CCC1)C 240690a_100000749019_100011220947 [0,0,0,1,0,1|1,0,1]=4 13893 B12R1.551 CC(=CCC(=O)NC1CCC1)C 527a_100000749019_100011220947 [0,0,0,1,0,1|1,0,1]=4 13894 B12R1.551 CC(C)C=CC(=O)CC1CCC1 1458a_100016268746_100000763275 [0,0,0,1,0,1|1,0,1]=4 13895 B12R1.551 CC(C)C=CC(=O)NC1CCC1 11a_100000749019_100016268746 [0,0,0,1,0,1|1,0,1]=4 13896 B12R1.551 CC(C)C=CC(=O)NC1CCC1 1626a_100000749019_100016268746 [0,0,0,1,0,1|1,0,1]=4 13897 B12R1.551 CC(C)C=CC(=O)NC1CCC1 240690a_100000749019_100016268746 [0,0,0,1,0,1|1,0,1]=4 13898 B12R1.551 CC(C)CCC(=O)C=C1CCC1 1458a_100000686340_100000210312 [0,0,0,1,0,1|1,0,1]=4 13899 B12R1.551 CC(C)CCC(=O)CC1CCC1 1458a_100000181311_100000763275 [0,0,0,1,0,1|1,0,0]=3 13900 B12R1.551 CC(C)CCC(=O)CC1CCC1 1458a_100000763092_100000210312 [0,0,0,1,0,1|1,0,0]=3 13901 B12R1.551 CC(C)CCC(=O)CC1CCO1 1458a_100000181311_100000103362 [0,0,0,1,0,1|2,0,0]=4 13902 B12R1.551 CC(C)CCC(=O)CC1COC1 1458a_100000181311_100010264016 [0,0,0,1,0,1|2,0,0]=4 13903 B12R1.551 CC(C)CCC(=O)CC1COC1 1458a_100000687760_100000210312 [0,0,0,1,0,1|2,0,0]=4 13904 B12R1.551 CC(C)CCC(=O)NC1CCC1 11a_100000749019_100000181311 [0,0,0,1,0,1|1,0,0]=3 13905 B12R1.551 CC(C)CCC(=O)NC1CCC1 1626a_100000749019_100000181311 [0,0,0,1,0,1|1,0,0]=3 13906 B12R1.551 CC(C)CCC(=O)NC1CCC1 240690a_100000749019_100000181311 [0,0,0,1,0,1|1,0,0]=3 13907 B12R1.551 CC(C)CCC(=O)NC1CCC1 527a_100000749019_100000181311 [0,0,0,1,0,1|1,0,0]=3 13908 B12R1.551 CC(C)CCC(=O)NC1COC1 11a_100016991112_100000181311 [0,0,0,1,0,1|2,0,0]=4 13909 B12R1.551 CC(C)CCC(=O)NC1COC1 1626a_100016991112_100000181311 [0,0,0,1,0,1|2,0,0]=4 13910 B12R1.551 CC(C)CCC(=O)NC1COC1 240690a_100016991112_100000181311 [0,0,0,1,0,1|2,0,0]=4 13911 B12R1.551 CC(C)CCC(=O)NC1COC1 527a_100016991112_100000181311 [0,0,0,1,0,1|2,0,0]=4 13912 B12R1.551 CC(C)CCC(=O)NC1CSC1 11a_100016994217_100000181311 [0,0,0,1,0,1|2,0,0]=4 13913 B12R1.551 CC(C)CCC(=O)NC1CSC1 1626a_100016994217_100000181311 [0,0,0,1,0,1|2,0,0]=4 13914 B12R1.551 CC(C)CCC(=O)NC1CSC1 240690a_100016994217_100000181311 [0,0,0,1,0,1|2,0,0]=4 13915 B12R1.551 CC(C)CCC(=O)NC1CSC1 527a_100016994217_100000181311 [0,0,0,1,0,1|2,0,0]=4 13916 B12R1.551 CC(C)CCC(C)OC1CCC1 34a_100000748187_100011261404 [0,0,0,1,0,1|1,0,1]=4 13917 B12R1.551 CC(C)CCC(C)OC1CCC1 34a_100011215350_100000749161 [0,0,0,1,0,1|1,0,1]=4 13918 B12R1.551 CC(C)CNC(=O)C=C1CCC1 11a_100000210953_100000686340 [0,0,0,1,0,1|1,0,1]=4 13919 B12R1.551 CC(C)CNC(=O)C=C1CCC1 240690a_100000210953_100000686340 [0,0,0,1,0,1|1,0,1]=4 13920 B12R1.551 CC(C)CNC(=O)CC1CCC1 11a_100000210953_100000763092 [0,0,0,1,0,1|1,0,0]=3 13921 B12R1.551 CC(C)CNC(=O)CC1CCC1 1626a_100000210953_100000763092 [0,0,0,1,0,1|1,0,0]=3 13922 B12R1.551 CC(C)CNC(=O)CC1CCC1 240690a_100000210953_100000763092 [0,0,0,1,0,1|1,0,0]=3 13923 B12R1.551 CC(C)CNC(=O)CC1CCC1 527a_100000210953_100000763092 [0,0,0,1,0,1|1,0,0]=3 13924 B12R1.551 CC(C)CNC(=O)CC1COC1 11a_100000210953_100000687760 [0,0,0,1,0,1|2,0,0]=4 13925 B12R1.551 CC(C)CNC(=O)CC1COC1 1626a_100000210953_100000687760 [0,0,0,1,0,1|2,0,0]=4 13926 B12R1.551 CC(C)CNC(=O)CN1CCC1 269982a_100000754969_100000183291 [0,0,0,1,0,1|2,0,0]=4 13927 B12R1.551 CC(C)CNC(=O)NC1CCC1 2708a_100000210953_100000749019 [0,0,0,1,0,1|1,0,0]=3 13928 B12R1.551 CC(C)CNC(=O)NC1CCC1 273464a_100000210953_100000749019 [0,0,0,1,0,1|1,0,0]=3 13929 B12R1.551 CC(C)CNC(=O)NC1CCC1 273464a_100000749019_100000210953 [0,0,0,1,0,1|1,0,0]=3 13930 B12R1.551 CC(C)CNC(=O)NC1CCC1 512a_100000210953_100000749019 [0,0,0,1,0,1|1,0,0]=3 13931 B12R1.551 CC(C)CNC(=O)NC1CCC1 512a_100000749019_100000210953 [0,0,0,1,0,1|1,0,0]=3 13932 B12R1.551 CC(C)CNC(=O)NC1COC1 2708a_100000210953_100016991112 [0,0,0,1,0,1|2,0,0]=4 13933 B12R1.551 CC(C)CNC(=O)NC1COC1 2708a_100016991112_100000210953 [0,0,0,1,0,1|2,0,0]=4 13934 B12R1.551 CC(C)CNC(=O)NC1COC1 273464a_100000210953_100016991112 [0,0,0,1,0,1|2,0,0]=4 13935 B12R1.551 CC(C)CNC(=O)NC1COC1 273464a_100016991112_100000210953 [0,0,0,1,0,1|2,0,0]=4 13936 B12R1.551 CC(C)CNC(=O)NC1COC1 512a_100000210953_100016991112 [0,0,0,1,0,1|2,0,0]=4 13937 B12R1.551 CC(C)CNC(=O)NC1COC1 512a_100016991112_100000210953 [0,0,0,1,0,1|2,0,0]=4 13938 B12R1.551 CC(C)CNC(=O)NC1CSC1 2708a_100000210953_100016994217 [0,0,0,1,0,1|2,0,0]=4 13939 B12R1.551 CC(C)CNC(=O)NC1CSC1 2708a_100016994217_100000210953 [0,0,0,1,0,1|2,0,0]=4 13940 B12R1.551 CC(C)CNC(=O)NC1CSC1 273464a_100000210953_100016994217 [0,0,0,1,0,1|2,0,0]=4 13941 B12R1.551 CC(C)CNC(=O)NC1CSC1 273464a_100016994217_100000210953 [0,0,0,1,0,1|2,0,0]=4 13942 B12R1.551 CC(C)CNC(=O)NC1CSC1 512a_100000210953_100016994217 [0,0,0,1,0,1|2,0,0]=4 13943 B12R1.551 CC(C)CNC(=O)NC1CSC1 512a_100016994217_100000210953 [0,0,0,1,0,1|2,0,0]=4 13944 B12R1.551 CC(C)NNC(=O)CC1CCC1 22a_100000741168_100000763092 [0,0,0,1,0,1|2,0,0]=4 13945 B12R1.551 CC(C)NNC(=O)NC1CCC1 273464a_100000749019_100000741168 [0,0,0,1,0,1|2,0,0]=4 13946 B12R1.551 CC(C)NNC(=O)NC1CCC1 512a_100000741168_100000749019 [0,0,0,1,0,1|2,0,0]=4 13947 B12R1.551 CC(C)NNC(=O)NC1CCC1 512a_100000749019_100000741168 [0,0,0,1,0,1|2,0,0]=4 13948 B12R1.551 CC(C)OCC(=O)CC1CCC1 1458a_100000745533_100000763275 [0,0,0,1,0,1|1,0,0]=3 13949 B12R1.551 CC(C)OCC(=O)CC1CCO1 1458a_100000745533_100000103362 [0,0,0,1,0,1|2,0,0]=4 13950 B12R1.551 CC(C)OCC(=O)CC1COC1 1458a_100000745533_100010264016 [0,0,0,1,0,1|2,0,0]=4 13951 B12R1.551 CC(C)OCC(=O)NC1CCC1 11a_100000749019_100000745533 [0,0,0,1,0,1|1,0,0]=3 13952 B12R1.551 CC(C)OCC(=O)NC1CCC1 1626a_100000749019_100000745533 [0,0,0,1,0,1|1,0,0]=3 13953 B12R1.551 CC(C)OCC(=O)NC1CCC1 240690a_100000749019_100000745533 [0,0,0,1,0,1|1,0,0]=3 13954 B12R1.551 CC(C)OCC(=O)NC1CCC1 527a_100000749019_100000745533 [0,0,0,1,0,1|1,0,0]=3 13955 B12R1.551 CC(C)OCC(=O)NC1COC1 11a_100016991112_100000745533 [0,0,0,1,0,1|2,0,0]=4 13956 B12R1.551 CC(C)OCC(=O)NC1COC1 1626a_100016991112_100000745533 [0,0,0,1,0,1|2,0,0]=4 13957 B12R1.551 CC(C)OCC(=O)NC1COC1 240690a_100016991112_100000745533 [0,0,0,1,0,1|2,0,0]=4 13958 B12R1.551 CC(C)OCC(=O)NC1COC1 527a_100016991112_100000745533 [0,0,0,1,0,1|2,0,0]=4 13959 B12R1.551 CC(C)OCC(=O)NC1CSC1 11a_100016994217_100000745533 [0,0,0,1,0,1|2,0,0]=4 13960 B12R1.551 CC(C)OCC(=O)NC1CSC1 1626a_100016994217_100000745533 [0,0,0,1,0,1|2,0,0]=4 13961 B12R1.551 CC(C)OCC(=O)NC1CSC1 240690a_100016994217_100000745533 [0,0,0,1,0,1|2,0,0]=4 13962 B12R1.551 CC(C)OCC(=O)NC1CSC1 527a_100016994217_100000745533 [0,0,0,1,0,1|2,0,0]=4 13963 B12R1.551 CC(C)SCC(=O)CC1CCC1 1458a_100000241585_100000763275 [0,0,0,1,0,1|1,0,0]=3 13964 B12R1.551 CC(C)SCC(=O)CC1CCO1 1458a_100000241585_100000103362 [0,0,0,1,0,1|2,0,0]=4 13965 B12R1.551 CC(C)SCC(=O)CC1COC1 1458a_100000241585_100010264016 [0,0,0,1,0,1|2,0,0]=4 13966 B12R1.551 CC(C)SCC(=O)NC1CCC1 11a_100000749019_100000241585 [0,0,0,1,0,1|1,0,0]=3 13967 B12R1.551 CC(C)SCC(=O)NC1CCC1 1626a_100000749019_100000241585 [0,0,0,1,0,1|1,0,0]=3 13968 B12R1.551 CC(C)SCC(=O)NC1CCC1 240690a_100000749019_100000241585 [0,0,0,1,0,1|1,0,0]=3 13969 B12R1.551 CC(C)SCC(=O)NC1CCC1 527a_100000749019_100000241585 [0,0,0,1,0,1|1,0,0]=3 13970 B12R1.551 CC(C)SCC(=O)NC1COC1 11a_100016991112_100000241585 [0,0,0,1,0,1|2,0,0]=4 13971 B12R1.551 CC(C)SCC(=O)NC1COC1 1626a_100016991112_100000241585 [0,0,0,1,0,1|2,0,0]=4 13972 B12R1.551 CC(C)SCC(=O)NC1COC1 240690a_100016991112_100000241585 [0,0,0,1,0,1|2,0,0]=4 13973 B12R1.551 CC(C)SCC(=O)NC1COC1 527a_100016991112_100000241585 [0,0,0,1,0,1|2,0,0]=4 13974 B12R1.551 CC(C)SCC(=O)NC1CSC1 11a_100016994217_100000241585 [0,0,0,1,0,1|2,0,0]=4 13975 B12R1.551 CC(C)SCC(=O)NC1CSC1 1626a_100016994217_100000241585 [0,0,0,1,0,1|2,0,0]=4 13976 B12R1.551 CC(C)SCC(=O)NC1CSC1 240690a_100016994217_100000241585 [0,0,0,1,0,1|2,0,0]=4 13977 B12R1.551 CC(C)SCC(=O)NC1CSC1 527a_100016994217_100000241585 [0,0,0,1,0,1|2,0,0]=4 13978 B12R1.551 CC(O)CCC(=O)CC1CCC1 1458a_100000763092_100012276601 [0,0,0,1,0,1|2,0,0]=4 13979 B12R1.551 CC(O)CCC(=O)NC1CCC1 1626a_100000749019_100000718519 [0,0,0,1,0,1|2,0,0]=4 13980 B12R1.551 CC(O)CNC(=O)CC1CCC1 11a_100000210904_100000763092 [0,0,0,1,0,1|2,0,0]=4 13981 B12R1.551 CC(O)CNC(=O)CC1CCC1 240690a_100000210904_100000763092 [0,0,0,1,0,1|2,0,0]=4 13982 B12R1.551 CC(O)CNC(=O)CC1CCC1 527a_100000210904_100000763092 [0,0,0,1,0,1|2,0,0]=4 13983 B12R1.551 CC(O)CNC(=O)NC1CCC1 273464a_100000210904_100000749019 [0,0,0,1,0,1|2,0,0]=4 13984 B12R1.551 CC(O)CNC(=O)NC1CCC1 273464a_100000749019_100000210904 [0,0,0,1,0,1|2,0,0]=4 13985 B12R1.551 CC(O)CNC(=O)NC1CCC1 512a_100000210904_100000749019 [0,0,0,1,0,1|2,0,0]=4 13986 B12R1.551 CC(O)CNC(=O)NC1CCC1 512a_100000749019_100000210904 [0,0,0,1,0,1|2,0,0]=4 13987 B12R1.551 CN(C)CCC(=O)NC1CCC1 11a_100000749019_100000689311 [0,0,0,1,0,1|2,0,0]=4 13988 B12R1.551 CN(C)CCC(=O)NC1CCC1 240690a_100000749019_100000689311 [0,0,0,1,0,1|2,0,0]=4 13989 B12R1.551 CN(C)CCC(=O)NC1CCC1 527a_100000749019_100000689311 [0,0,0,1,0,1|2,0,0]=4 13990 B12R1.551 C[S+](C)CCC(=O)CC1CCC1 1458a_100009452791_100000763275 [0,0,0,1,0,1|2,0,0]=4 13991 B12R1.551 C[S+](C)CCC(=O)NC1CCC1 11a_100000749019_100009452791 [0,0,0,1,0,1|2,0,0]=4 13992 B12R1.551 C[S+](C)CCC(=O)NC1CCC1 1626a_100000749019_100009452791 [0,0,0,1,0,1|2,0,0]=4 13993 B12R1.551 C[S+](C)CCC(=O)NC1CCC1 240690a_100000749019_100009452791 [0,0,0,1,0,1|2,0,0]=4 13994 B12R1.552 CC(=CCC(=O)CCC1CC1)C 1458a_100000756386_100000761012 [0,0,0,1,0,1|1,0,1]=4 13995 B12R1.552 CC(=CCC(=O)CCC1CC1)C 1458a_100011220947_100000694398 [0,0,0,1,0,1|1,0,1]=4 13996 B12R1.552 CC(=CCC(=O)NCC1CC1)C 11a_100000735609_100011220947 [0,0,0,1,0,1|1,0,1]=4 13997 B12R1.552 CC(=CCC(=O)NCC1CC1)C 1626a_100000735609_100011220947 [0,0,0,1,0,1|1,0,1]=4 13998 B12R1.552 CC(=CCC(=O)NCC1CC1)C 240690a_100000735609_100011220947 [0,0,0,1,0,1|1,0,1]=4 13999 B12R1.552 CC(=CCC(=O)NCC1CC1)C 527a_100000735609_100011220947 [0,0,0,1,0,1|1,0,1]=4 14000 B12R1.552 CC(C)C=CC(=O)CCC1CC1 1458a_100016268746_100000694398 [0,0,0,1,0,1|1,0,1]=4 14001 B12R1.552 CC(C)C=CC(=O)NCC1CC1 11a_100000735609_100016268746 [0,0,0,1,0,1|1,0,1]=4 14002 B12R1.552 CC(C)C=CC(=O)NCC1CC1 1626a_100000735609_100016268746 [0,0,0,1,0,1|1,0,1]=4 14003 B12R1.552 CC(C)C=CC(=O)NCC1CC1 240690a_100000735609_100016268746 [0,0,0,1,0,1|1,0,1]=4 14004 B12R1.552 CC(C)CCC(=O)C=CC1CC1 1458a_100102529529_100000210312 [0,0,0,1,0,1|1,0,1]=4 14005 B12R1.552 CC(C)CCC(=O)CCC1CC1 1458a_100000181311_100000694398 [0,0,0,1,0,1|1,0,0]=3 14006 B12R1.552 CC(C)CCC(=O)CCC1CC1 1458a_100000756386_100000210312 [0,0,0,1,0,1|1,0,0]=3 14007 B12R1.552 CC(C)CCC(=O)CCC1CO1 1458a_100000181311_100000732470 [0,0,0,1,0,1|2,0,0]=4 14008 B12R1.552 CC(C)CCC(=O)NCC1CC1 11a_100000735609_100000181311 [0,0,0,1,0,1|1,0,0]=3 14009 B12R1.552 CC(C)CCC(=O)NCC1CC1 1626a_100000735609_100000181311 [0,0,0,1,0,1|1,0,0]=3 14010 B12R1.552 CC(C)CCC(=O)NCC1CC1 240690a_100000735609_100000181311 [0,0,0,1,0,1|1,0,0]=3 14011 B12R1.552 CC(C)CCC(=O)NCC1CC1 527a_100000735609_100000181311 [0,0,0,1,0,1|1,0,0]=3 14012 B12R1.552 CC(C)CCC(=O)NNC1CC1 22a_100000701032_100000181311 [0,0,0,1,0,1|2,0,0]=4 14013 B12R1.552 CC(C)CCC(C)OCC1CC1 34a_100000211283_100011261404 [0,0,0,1,0,1|1,0,1]=4 14014 B12R1.552 CC(C)CCC(C)OCC1CC1 34a_100011215350_100000742324 [0,0,0,1,0,1|1,0,1]=4 14015 B12R1.552 CC(C)CCC(C)OCC1CC1 7a_100011215350_100000742324 [0,0,0,1,0,1|1,0,1]=4 14016 B12R1.552 CC(C)CNC(=O)C=CC1CC1 11a_100000210953_100102529529 [0,0,0,1,0,1|1,0,1]=4 14017 B12R1.552 CC(C)CNC(=O)C=CC1CC1 1626a_100000210953_100102529529 [0,0,0,1,0,1|1,0,1]=4 14018 B12R1.552 CC(C)CNC(=O)C=CC1CC1 240690a_100000210953_100102529529 [0,0,0,1,0,1|1,0,1]=4 14019 B12R1.552 CC(C)CNC(=O)CCC1CC1 11a_100000210953_100000756386 [0,0,0,1,0,1|1,0,0]=3 14020 B12R1.552 CC(C)CNC(=O)CCC1CC1 1626a_100000210953_100000756386 [0,0,0,1,0,1|1,0,0]=3 14021 B12R1.552 CC(C)CNC(=O)CCC1CC1 240690a_100000210953_100000756386 [0,0,0,1,0,1|1,0,0]=3 14022 B12R1.552 CC(C)CNC(=O)CCC1CC1 527a_100000210953_100000756386 [0,0,0,1,0,1|1,0,0]=3 14023 B12R1.552 CC(C)CNC(=O)CNC1CC1 34a_100000212008_100000183291 [0,0,0,1,0,1|2,0,0]=4 14024 B12R1.552 CC(C)CNC(=O)CSC1CC1 62a_100000183291_100000211595 [0,0,0,1,0,1|2,0,0]=4 14025 B12R1.552 CC(C)CNC(=O)NCC1CC1 2708a_100000210953_100000735609 [0,0,0,1,0,1|1,0,0]=3 14026 B12R1.552 CC(C)CNC(=O)NCC1CC1 2708a_100000735609_100000210953 [0,0,0,1,0,1|1,0,0]=3 14027 B12R1.552 CC(C)CNC(=O)NCC1CC1 273464a_100000210953_100000735609 [0,0,0,1,0,1|1,0,0]=3 14028 B12R1.552 CC(C)CNC(=O)NCC1CC1 273464a_100000735609_100000210953 [0,0,0,1,0,1|1,0,0]=3 14029 B12R1.552 CC(C)CNC(=O)NCC1CC1 512a_100000210953_100000735609 [0,0,0,1,0,1|1,0,0]=3 14030 B12R1.552 CC(C)CNC(=O)NCC1CC1 512a_100000735609_100000210953 [0,0,0,1,0,1|1,0,0]=3 14031 B12R1.552 CC(C)CNC(=O)NNC1CC1 273464a_100000210953_100000701032 [0,0,0,1,0,1|2,0,0]=4 14032 B12R1.552 CC(C)CNC(=O)NNC1CC1 512a_100000210953_100000701032 [0,0,0,1,0,1|2,0,0]=4 14033 B12R1.552 CC(C)CNC(=O)NNC1CC1 512a_100000701032_100000210953 [0,0,0,1,0,1|2,0,0]=4 14034 B12R1.552 CC(C)NNC(=O)CCC1CC1 22a_100000741168_100000756386 [0,0,0,1,0,1|2,0,0]=4 14035 B12R1.552 CC(C)NNC(=O)NCC1CC1 273464a_100000735609_100000741168 [0,0,0,1,0,1|2,0,0]=4 14036 B12R1.552 CC(C)NNC(=O)NCC1CC1 512a_100000735609_100000741168 [0,0,0,1,0,1|2,0,0]=4 14037 B12R1.552 CC(C)NNC(=O)NCC1CC1 512a_100000741168_100000735609 [0,0,0,1,0,1|2,0,0]=4 14038 B12R1.552 CC(C)OCC(=O)CCC1CC1 1458a_100000745533_100000694398 [0,0,0,1,0,1|1,0,0]=3 14039 B12R1.552 CC(C)OCC(=O)CCC1CO1 1458a_100000745533_100000732470 [0,0,0,1,0,1|2,0,0]=4 14040 B12R1.552 CC(C)OCC(=O)NCC1CC1 11a_100000735609_100000745533 [0,0,0,1,0,1|1,0,0]=3 14041 B12R1.552 CC(C)OCC(=O)NCC1CC1 1626a_100000735609_100000745533 [0,0,0,1,0,1|1,0,0]=3 14042 B12R1.552 CC(C)OCC(=O)NCC1CC1 240690a_100000735609_100000745533 [0,0,0,1,0,1|1,0,0]=3 14043 B12R1.552 CC(C)OCC(=O)NCC1CC1 527a_100000735609_100000745533 [0,0,0,1,0,1|1,0,0]=3 14044 B12R1.552 CC(C)OCC(=O)NNC1CC1 22a_100000701032_100000745533 [0,0,0,1,0,1|2,0,0]=4 14045 B12R1.552 CC(C)SCC(=O)CCC1CC1 1458a_100000241585_100000694398 [0,0,0,1,0,1|1,0,0]=3 14046 B12R1.552 CC(C)SCC(=O)CCC1CO1 1458a_100000241585_100000732470 [0,0,0,1,0,1|2,0,0]=4 14047 B12R1.552 CC(C)SCC(=O)NCC1CC1 11a_100000735609_100000241585 [0,0,0,1,0,1|1,0,0]=3 14048 B12R1.552 CC(C)SCC(=O)NCC1CC1 1626a_100000735609_100000241585 [0,0,0,1,0,1|1,0,0]=3 14049 B12R1.552 CC(C)SCC(=O)NCC1CC1 240690a_100000735609_100000241585 [0,0,0,1,0,1|1,0,0]=3 14050 B12R1.552 CC(C)SCC(=O)NCC1CC1 527a_100000735609_100000241585 [0,0,0,1,0,1|1,0,0]=3 14051 B12R1.552 CC(C)SCC(=O)NNC1CC1 22a_100000701032_100000241585 [0,0,0,1,0,1|2,0,0]=4 14052 B12R1.552 CC(O)CCC(=O)CCC1CC1 1458a_100000756386_100012276601 [0,0,0,1,0,1|2,0,0]=4 14053 B12R1.552 CC(O)CCC(=O)NCC1CC1 1626a_100000735609_100000718519 [0,0,0,1,0,1|2,0,0]=4 14054 B12R1.552 CC(O)CNC(=O)CCC1CC1 11a_100000210904_100000756386 [0,0,0,1,0,1|2,0,0]=4 14055 B12R1.552 CC(O)CNC(=O)CCC1CC1 240690a_100000210904_100000756386 [0,0,0,1,0,1|2,0,0]=4 14056 B12R1.552 CC(O)CNC(=O)CCC1CC1 527a_100000210904_100000756386 [0,0,0,1,0,1|2,0,0]=4 14057 B12R1.552 CC(O)CNC(=O)NCC1CC1 2708a_100000735609_100000210904 [0,0,0,1,0,1|2,0,0]=4 14058 B12R1.552 CC(O)CNC(=O)NCC1CC1 273464a_100000210904_100000735609 [0,0,0,1,0,1|2,0,0]=4 14059 B12R1.552 CC(O)CNC(=O)NCC1CC1 273464a_100000735609_100000210904 [0,0,0,1,0,1|2,0,0]=4 14060 B12R1.552 CC(O)CNC(=O)NCC1CC1 512a_100000210904_100000735609 [0,0,0,1,0,1|2,0,0]=4 14061 B12R1.552 CC(O)CNC(=O)NCC1CC1 512a_100000735609_100000210904 [0,0,0,1,0,1|2,0,0]=4 14062 B12R1.552 CN(C)CCC(=O)NCC1CC1 11a_100000735609_100000689311 [0,0,0,1,0,1|2,0,0]=4 14063 B12R1.552 CN(C)CCC(=O)NCC1CC1 240690a_100000735609_100000689311 [0,0,0,1,0,1|2,0,0]=4 14064 B12R1.552 CN(C)CCC(=O)NCC1CC1 527a_100000735609_100000689311 [0,0,0,1,0,1|2,0,0]=4 14065 B12R1.552 C[S+](C)CCC(=O)CCC1CC1 1458a_100009452791_100000694398 [0,0,0,1,0,1|2,0,0]=4 14066 B12R1.552 C[S+](C)CCC(=O)NCC1CC1 11a_100000735609_100009452791 [0,0,0,1,0,1|2,0,0]=4 14067 B12R1.552 C[S+](C)CCC(=O)NCC1CC1 1626a_100000735609_100009452791 [0,0,0,1,0,1|2,0,0]=4 14068 B12R1.552 C[S+](C)CCC(=O)NCC1CC1 240690a_100000735609_100009452791 [0,0,0,1,0,1|2,0,0]=4 14069 B12R1.804 CCCO[C@H]1C(=O)OCC1(C)C 34a_100009815050_100000210303 [0,0,0,1,0,1|2,0,0]=4 14070 B12R1.804 CCCO[C@H]1C(=O)OCC1(C)C 7a_100009815050_100000210303 [0,0,0,1,0,1|2,0,0]=4 14071 B12R1.2132 CC1(C[C@@H]1C(=O)CCCCF)C 1458a_100000692687_100000729493 [0,0,0,1,0,1|2,0,0]=4 14072 B12R1.2132 CC1(C[C@@H]1C(=O)CCCCO)C 1458a_100000692687_100000210776 [0,0,0,1,0,1|2,0,0]=4 14073 B12R1.2132 CC1(C[C@@H]1C(=O)NCCCF)C 11a_100015189416_100000692687 [0,0,0,1,0,1|2,0,0]=4 14074 B12R1.2132 CC1(C[C@@H]1C(=O)NCCCF)C 1626a_100015189416_100000692687 [0,0,0,1,0,1|2,0,0]=4 14075 B12R1.2132 CC1(C[C@@H]1C(=O)NCCCF)C 240690a_100015189416_100000692687 [0,0,0,1,0,1|2,0,0]=4 14076 B12R1.2132 CC1(C[C@@H]1C(=O)NCCCF)C 527a_100015189416_100000692687 [0,0,0,1,0,1|2,0,0]=4 14077 B12R1.2132 CC1(C[C@@H]1C(=O)NCCCO)C 240690a_100000182051_100000692687 [0,0,0,1,0,1|2,0,0]=4 14078 B12R1.2132 CC1(C[C@@H]1C(=O)NCCCO)C 527a_100000182051_100000692687 [0,0,0,1,0,1|2,0,0]=4 14079 B12R1.2132 CCCCCC(=O)[C@H]1CC1(C)C 1458a_100000692687_100000210326 [0,0,0,1,0,1|1,0,0]=3 14080 B12R1.2132 CCCCNC(=O)[C@H]1CC1(C)C 11a_100000102301_100000692687 [0,0,0,1,0,1|1,0,0]=3 14081 B12R1.2132 CCCCNC(=O)[C@H]1CC1(C)C 1626a_100000102301_100000692687 [0,0,0,1,0,1|1,0,0]=3 14082 B12R1.2132 CCCCNC(=O)[C@H]1CC1(C)C 240690a_100000102301_100000692687 [0,0,0,1,0,1|1,0,0]=3 14083 B12R1.2132 CCCCNC(=O)[C@H]1CC1(C)C 527a_100000102301_100000692687 [0,0,0,1,0,1|1,0,0]=3 14084 B12R1.2132 CCCNNC(=O)[C@H]1CC1(C)C 22a_100000740057_100000692687 [0,0,0,1,0,1|2,0,0]=4 14085 B12R1.2132 CCOCCC(=O)[C@H]1CC1(C)C 1458a_100000692687_100011215890 [0,0,0,1,0,1|2,0,0]=4 14086 B12R1.2132 CCSCCC(=O)[C@H]1CC1(C)C 1458a_100000692687_100000757381 [0,0,0,1,0,1|2,0,0]=4 14087 B12R1.2132 COCCCC(=O)[C@H]1CC1(C)C 1458a_100000692687_100000740836 [0,0,0,1,0,1|2,0,0]=4 14088 B12R1.2132 COCCNC(=O)[C@H]1CC1(C)C 1626a_100000209980_100000692687 [0,0,0,1,0,1|2,0,0]=4 14089 B12R1.2132 COCCNC(=O)[C@H]1CC1(C)C 240690a_100000209980_100000692687 [0,0,0,1,0,1|2,0,0]=4 14090 B12R1.2132 COCCNC(=O)[C@H]1CC1(C)C 527a_100000209980_100000692687 [0,0,0,1,0,1|2,0,0]=4 14091 B12R1.2132 CSCCNC(=O)[C@H]1CC1(C)C 11a_100020590264_100000692687 [0,0,0,1,0,1|2,0,0]=4 14092 B12R1.2132 CSCCNC(=O)[C@H]1CC1(C)C 1626a_100020590264_100000692687 [0,0,0,1,0,1|2,0,0]=4 14093 B12R1.2132 CSCCNC(=O)[C@H]1CC1(C)C 240690a_100020590264_100000692687 [0,0,0,1,0,1|2,0,0]=4 14094 B12R1.2132 CSCCNC(=O)[C@H]1CC1(C)C 527a_100020590264_100000692687 [0,0,0,1,0,1|2,0,0]=4 14095 B12R1.31 CCCC(C)OC1CCC(C1)C 34a_100000698185_100000766640 [0,1,0,1,0,0|1,0,1]=4 14096 B12R1.144 CC(C)CC(=O)C1CCCC1=O 1458a_100000210554_100000211823 [0,1,0,1,0,0|1,0,1]=4 14097 B12R1.144 CC(C)CC(=O)C1CCCC1C 1458a_100000690547_100000210624 [0,1,0,1,0,0|1,0,0]=3 14098 B12R1.144 CC(C)CC(=O)N1CCC[C@@H]1C 240690a_100020605311_100000210554 [0,1,0,1,0,0|1,0,0]=3 14099 B12R1.144 CC(C)CC(=O)N1CCC[C@@H]1C 527a_100020605311_100000210554 [0,1,0,1,0,0|1,0,0]=3 14100 B12R1.144 CC(C)CC(=O)N1CCC[C@H]1C 11a_100015189458_100000210554 [0,1,0,1,0,0|1,0,0]=3 14101 B12R1.144 CC(C)CC(=O)N1CCC[C@H]1C 240690a_100015189458_100000210554 [0,1,0,1,0,0|1,0,0]=3 14102 B12R1.144 CC(C)CC(=O)N1CCC[C@H]1C 527a_100015189458_100000210554 [0,1,0,1,0,0|1,0,0]=3 14103 B12R1.144 CC(C)CC(=O)N1CCSC1C 11a_200011216479_100000210554 [0,1,0,1,0,0|1,0,0]=3 14104 B12R1.144 CC(C)CC(=O)N1CCSC1C 1626a_200011216479_100000210554 [0,1,0,1,0,0|1,0,0]=3 14105 B12R1.144 CC(C)CC(=O)N1CCSC1C 240690a_200011216479_100000210554 [0,1,0,1,0,0|1,0,0]=3 14106 B12R1.144 CC(C)CC(=O)N1CCSC1C 527a_200011216479_100000210554 [0,1,0,1,0,0|1,0,0]=3 14107 B12R1.144 CC(C)CC(=O)[C@@H]1CCCN1C 1458a_100009816429_100000210624 [0,1,0,1,0,0|1,0,0]=3 14108 B12R1.144 CC(C)NC(=O)C1CCCC1C 11a_100138425928_100000690547 [0,1,0,1,0,0|2,0,0]=4 14109 B12R1.144 CC(C)NC(=O)C1CCCC1C 1626a_100138425928_100000690547 [0,1,0,1,0,0|2,0,0]=4 14110 B12R1.144 CC(C)NC(=O)C1CCCC1C 240690a_100138425928_100000690547 [0,1,0,1,0,0|2,0,0]=4 14111 B12R1.144 CC(C)NC(=O)C1CCCC1C 527a_100138425928_100000690547 [0,1,0,1,0,0|2,0,0]=4 14112 B12R1.144 CC(C)NC(=O)N1CCC[C@@H]1C 2708a_100138425928_100020605311 [0,1,0,1,0,0|2,0,0]=4 14113 B12R1.144 CC(C)NC(=O)N1CCC[C@@H]1C 273464a_100138425928_100020605311 [0,1,0,1,0,0|2,0,0]=4 14114 B12R1.144 CC(C)NC(=O)N1CCC[C@H]1C 2708a_100138425928_100015189458 [0,1,0,1,0,0|2,0,0]=4 14115 B12R1.144 CC(C)NC(=O)N1CCC[C@H]1C 273464a_100138425928_100015189458 [0,1,0,1,0,0|2,0,0]=4 14116 B12R1.144 CC(C)NC(=O)N1CCSC1C 2708a_100138425928_200011216479 [0,1,0,1,0,0|2,0,0]=4 14117 B12R1.144 CC(C)NC(=O)N1CCSC1C 273464a_100138425928_200011216479 [0,1,0,1,0,0|2,0,0]=4 14118 B12R1.144 CC(C)NC(=O)[C@@H]1CCCN1C 11a_100138425928_100009816429 [0,1,0,1,0,0|2,0,0]=4 14119 B12R1.144 CC(C)NC(=O)[C@@H]1CCCN1C 240690a_100138425928_100009816429 [0,1,0,1,0,0|2,0,0]=4 14120 B12R1.144 CC(C)NC(=O)[C@@H]1CCCN1C 527a_100138425928_100009816429 [0,1,0,1,0,0|2,0,0]=4 14121 B12R1.144 CC(C)NC(=O)[C@H]1CCCN1C 2230a_100153395200_200000210301 [0,1,0,1,0,0|2,0,0]=4 14122 B12R1.144 CC(C)NC(=O)[C@H]1CCCN1C 269982a_100153395200_200000210301 [0,1,0,1,0,0|2,0,0]=4 14123 B12R1.144 CC(C)NC(=O)[C@H]1CCCN1C 34a_100153395200_200000210301 [0,1,0,1,0,0|2,0,0]=4 14124 B12R1.144 CC(C)NC(=O)[C@H]1CCCN1[13CH3] 2230a_100153395200_200025704644 [0,1,0,1,0,0|2,0,0]=4 14125 B12R1.144 CC(C)NC(=O)[C@H]1CCCN1[13CH3] 269982a_100153395200_200025704644 [0,1,0,1,0,0|2,0,0]=4 14126 B12R1.144 CC(C)NC(=O)[C@H]1CCCN1[13CH3] 34a_100153395200_200025704644 [0,1,0,1,0,0|2,0,0]=4 14127 B12R1.144 CC(O)CC(=O)C1CCCC1C 1458a_100000690547_100011218427 [0,1,0,1,0,0|2,0,0]=4 14128 B12R1.144 CC(O)CC(=O)[C@@H]1CCCN1C 1458a_100009816429_100011218427 [0,1,0,1,0,0|2,0,0]=4 14129 B12R1.144 CC1SCCN1C(=O)CN(C)C 11a_200011216479_100000750896 [0,1,0,1,0,0|2,0,0]=4 14130 B12R1.144 CC1SCCN1C(=O)CN(C)C 240690a_200011216479_100000750896 [0,1,0,1,0,0|2,0,0]=4 14131 B12R1.144 CC1SCCN1C(=O)CN(C)C 527a_200011216479_100000750896 [0,1,0,1,0,0|2,0,0]=4 14132 B12R1.144 CC1SCCN1C(=O)C[C@@H](C)O 240690a_200011216479_100011933948 [0,1,0,1,0,0|2,0,0]=4 14133 B12R1.144 CC1SCCN1C(=O)C[S+](C)C 11a_200011216479_200159257847 [0,1,0,1,0,0|2,0,0]=4 14134 B12R1.144 CC1SCCN1C(=O)C[S+](C)C 1626a_200011216479_200159257847 [0,1,0,1,0,0|2,0,0]=4 14135 B12R1.144 CC1SCCN1C(=O)C[S+](C)C 240690a_200011216479_200159257847 [0,1,0,1,0,0|2,0,0]=4 14136 B12R1.144 CC1SCCN1C(=O)C[S+](C)C 527a_200011216479_200159257847 [0,1,0,1,0,0|2,0,0]=4 14137 B12R1.144 C[C@@H](O)CC(=O)N1CCC[C@@H]1C 240690a_100020605311_100011933948 [0,1,0,1,0,0|2,0,0]=4 14138 B12R1.144 C[C@@H]1CCCN1C(=O)CN(C)C 11a_100015189458_100000750896 [0,1,0,1,0,0|2,0,0]=4 14139 B12R1.144 C[C@@H]1CCCN1C(=O)CN(C)C 240690a_100015189458_100000750896 [0,1,0,1,0,0|2,0,0]=4 14140 B12R1.144 C[C@@H]1CCCN1C(=O)CN(C)C 527a_100015189458_100000750896 [0,1,0,1,0,0|2,0,0]=4 14141 B12R1.144 C[C@@H]1CCCN1C(=O)C[C@@H](C)O 240690a_100015189458_100011933948 [0,1,0,1,0,0|2,0,0]=4 14142 B12R1.144 C[C@@H]1CCCN1C(=O)C[S+](C)C 11a_100015189458_200159257847 [0,1,0,1,0,0|2,0,0]=4 14143 B12R1.144 C[C@@H]1CCCN1C(=O)C[S+](C)C 240690a_100015189458_200159257847 [0,1,0,1,0,0|2,0,0]=4 14144 B12R1.144 C[C@@H]1CCCN1C(=O)C[S+](C)C 527a_100015189458_200159257847 [0,1,0,1,0,0|2,0,0]=4 14145 B12R1.144 C[C@H]1CCCN1C(=O)CN(C)C 240690a_100020605311_100000750896 [0,1,0,1,0,0|2,0,0]=4 14146 B12R1.144 C[C@H]1CCCN1C(=O)CN(C)C 527a_100020605311_100000750896 [0,1,0,1,0,0|2,0,0]=4 14147 B12R1.144 C[C@H]1CCCN1C(=O)C[S+](C)C 240690a_100020605311_200159257847 [0,1,0,1,0,0|2,0,0]=4 14148 B12R1.144 C[C@H]1CCCN1C(=O)C[S+](C)C 527a_100020605311_200159257847 [0,1,0,1,0,0|2,0,0]=4 14149 B12R1.182 CCCc1nc(no1)CC(C)C 270196a_100000210173_100000211992 [0,1,0,1,0,0|1,0,1]=4 14150 B12R1.182 CCCc1noc(n1)CC(C)C 270196a_100011193412_100000210554 [0,1,0,1,0,0|1,0,1]=4 14151 B12R1.260 CC(C)CC(=O)C=C1CCCC1 1458a_100000743260_100000210624 [0,1,0,1,0,0|1,0,0]=3 14152 B12R1.260 CC(C)CC(=O)CC1=CCCC1 1458a_100000050221_100000210624 [0,1,0,1,0,0|1,0,1]=4 14153 B12R1.260 CC(C)CC(=O)CC1C=CCC1 1458a_100000212241_100000210624 [0,1,0,1,0,0|1,0,1]=4 14154 B12R1.260 CC(C)CC(=O)CC1CC=CC1 1458a_200000137526_100000210624 [0,1,0,1,0,0|1,0,1]=4 14155 B12R1.260 CC(C)CC(=O)CC1CCCC1 1458a_100000210554_100000740388 [0,1,0,1,0,0|1,0,0]=3 14156 B12R1.260 CC(C)CC(=O)CC1CCCC1 1458a_100000210891_100000210624 [0,1,0,1,0,0|1,0,0]=3 14157 B12R1.260 CC(C)CC(=O)CC1CCCO1 1458a_100000210554_100000203698 [0,1,0,1,0,0|1,0,0]=3 14158 B12R1.260 CC(C)CC(=O)CC1CCOC1 1458a_100000210554_100000702531 [0,1,0,1,0,0|1,0,0]=3 14159 B12R1.260 CC(C)CC(=O)CC1CCOC1 1458a_100011218419_100000210624 [0,1,0,1,0,0|1,0,0]=3 14160 B12R1.260 CC(C)CC(=O)CC1OCCO1 1458a_100000210554_100000755774 [0,1,0,1,0,0|2,0,0]=4 14161 B12R1.260 CC(C)CC(=O)CN1CCCC1 1458a_100000740243_100000210624 [0,1,0,1,0,0|1,0,0]=3 14162 B12R1.260 CC(C)CC(=O)NC1CC=CC1 11a_100015188752_100000210554 [0,1,0,1,0,0|1,0,1]=4 14163 B12R1.260 CC(C)CC(=O)NC1CC=CC1 1626a_100015188752_100000210554 [0,1,0,1,0,0|1,0,1]=4 14164 B12R1.260 CC(C)CC(=O)NC1CC=CC1 240690a_100015188752_100000210554 [0,1,0,1,0,0|1,0,1]=4 14165 B12R1.260 CC(C)CC(=O)NC1CC=CC1 527a_100015188752_100000210554 [0,1,0,1,0,0|1,0,1]=4 14166 B12R1.260 CC(C)CC(=O)NC1CCCC1 11a_100000211070_100000210554 [0,1,0,1,0,0|1,0,0]=3 14167 B12R1.260 CC(C)CC(=O)NC1CCCC1 1626a_100000211070_100000210554 [0,1,0,1,0,0|1,0,0]=3 14168 B12R1.260 CC(C)CC(=O)NC1CCCC1 240690a_100000211070_100000210554 [0,1,0,1,0,0|1,0,0]=3 14169 B12R1.260 CC(C)CC(=O)NC1CCCC1 527a_100000211070_100000210554 [0,1,0,1,0,0|1,0,0]=3 14170 B12R1.260 CC(C)CC(=O)N[C@@H]1CCOC1 240690a_200015188469_100000210554 [0,1,0,1,0,0|1,0,0]=3 14171 B12R1.260 CC(C)CC(=O)N[C@@H]1CCOC1 527a_200015188469_100000210554 [0,1,0,1,0,0|1,0,0]=3 14172 B12R1.260 CC(C)CC(=O)N[C@H]1CCOC1 11a_100015188467_100000210554 [0,1,0,1,0,0|1,0,0]=3 14173 B12R1.260 CC(C)CC(=O)N[C@H]1CCOC1 1626a_100015188467_100000210554 [0,1,0,1,0,0|1,0,0]=3 14174 B12R1.260 CC(C)CC(=O)N[C@H]1CCOC1 240690a_100015188467_100000210554 [0,1,0,1,0,0|1,0,0]=3 14175 B12R1.260 CC(C)CC(=O)N[C@H]1CCOC1 527a_100015188467_100000210554 [0,1,0,1,0,0|1,0,0]=3 14176 B12R1.260 CC(C)CC(C)OC1CCCC1 34a_100000210269_100000731052 [0,1,0,1,0,0|1,0,1]=4 14177 B12R1.260 CC(C)CC(C)OC1CCCC1 34a_100000211805_100000179811 [0,1,0,1,0,0|1,0,1]=4 14178 B12R1.260 CC(C)CC(C)OC1CCCC1 7a_100000210269_100000731052 [0,1,0,1,0,0|1,0,1]=4 14179 B12R1.260 CC(C)CC(C)OC1CCCC1 7a_100000211805_100000179811 [0,1,0,1,0,0|1,0,1]=4 14180 B12R1.260 CC(C)CC(C)OC1CCCO1 34a_100000085407_100000731052 [0,1,0,1,0,0|1,0,1]=4 14181 B12R1.260 CC(C)CC(C)OC1CCOC1 34a_100000211805_100000690089 [0,1,0,1,0,0|1,0,1]=4 14182 B12R1.260 CC(C)CC(C)OC1CCOC1 7a_100000211805_100000731011 [0,1,0,1,0,0|1,0,1]=4 14183 B12R1.260 CC(C)CC(C)OC1CCSC1 7a_100011232664_100000731052 [0,1,0,1,0,0|1,0,1]=4 14184 B12R1.260 CC(C)CC(C)O[C@H]1CCOC1 34a_100000717292_100000731052 [0,1,0,1,0,0|1,0,1]=4 14185 B12R1.260 CC(C)NC(=O)C=C1CCCC1 11a_100138425928_100000743260 [0,1,0,1,0,0|2,0,0]=4 14186 B12R1.260 CC(C)NC(=O)C=C1CCCC1 1626a_100138425928_100000743260 [0,1,0,1,0,0|2,0,0]=4 14187 B12R1.260 CC(C)NC(=O)C=C1CCCC1 240690a_100138425928_100000743260 [0,1,0,1,0,0|2,0,0]=4 14188 B12R1.260 CC(C)NC(=O)C=C1CCCC1 527a_100138425928_100000743260 [0,1,0,1,0,0|2,0,0]=4 14189 B12R1.260 CC(C)NC(=O)CC1CCCC1 11a_100138425928_100000210891 [0,1,0,1,0,0|2,0,0]=4 14190 B12R1.260 CC(C)NC(=O)CC1CCCC1 1626a_100138425928_100000210891 [0,1,0,1,0,0|2,0,0]=4 14191 B12R1.260 CC(C)NC(=O)CC1CCCC1 240690a_100138425928_100000210891 [0,1,0,1,0,0|2,0,0]=4 14192 B12R1.260 CC(C)NC(=O)CC1CCCC1 527a_100138425928_100000210891 [0,1,0,1,0,0|2,0,0]=4 14193 B12R1.260 CC(C)NC(=O)CC1CCOC1 11a_100138425928_100011218419 [0,1,0,1,0,0|2,0,0]=4 14194 B12R1.260 CC(C)NC(=O)CC1CCOC1 1626a_100138425928_100011218419 [0,1,0,1,0,0|2,0,0]=4 14195 B12R1.260 CC(C)NC(=O)CC1CCOC1 240690a_100138425928_100011218419 [0,1,0,1,0,0|2,0,0]=4 14196 B12R1.260 CC(C)NC(=O)CC1CCOC1 527a_100138425928_100011218419 [0,1,0,1,0,0|2,0,0]=4 14197 B12R1.260 CC(C)NC(=O)CN1CCCC1 2230a_100000188435_100000183996 [0,1,0,1,0,0|2,0,0]=4 14198 B12R1.260 CC(C)NC(=O)CN1CCCC1 240690a_100138425928_100000740243 [0,1,0,1,0,0|2,0,0]=4 14199 B12R1.260 CC(C)NC(=O)CN1CCCC1 269982a_100000188435_100000183996 [0,1,0,1,0,0|2,0,0]=4 14200 B12R1.260 CC(C)NC(=O)CN1CCCC1 527a_100138425928_100000740243 [0,1,0,1,0,0|2,0,0]=4 14201 B12R1.260 CC(C)NC(=O)NC1CCCC1 2708a_100000211070_100138425928 [0,1,0,1,0,0|2,0,0]=4 14202 B12R1.260 CC(C)NC(=O)NC1CCCC1 2708a_100138425928_100000211070 [0,1,0,1,0,0|2,0,0]=4 14203 B12R1.260 CC(C)NC(=O)NC1CCCC1 273464a_100138425928_100000211070 [0,1,0,1,0,0|2,0,0]=4 14204 B12R1.260 CC(C)NC(=O)NC1CCCC1 512a_100000211070_100138425928 [0,1,0,1,0,0|2,0,0]=4 14205 B12R1.260 CC(C)NC(=O)NC1CCCC1 512a_100138425928_100000211070 [0,1,0,1,0,0|2,0,0]=4 14206 B12R1.260 CC(C)NC(=O)N[C@@H]1CCOC1 2708a_100138425928_200015188469 [0,1,0,1,0,0|2,0,0]=4 14207 B12R1.260 CC(C)NC(=O)N[C@@H]1CCOC1 2708a_200015188469_100138425928 [0,1,0,1,0,0|2,0,0]=4 14208 B12R1.260 CC(C)NC(=O)N[C@@H]1CCOC1 273464a_100138425928_200015188469 [0,1,0,1,0,0|2,0,0]=4 14209 B12R1.260 CC(C)NC(=O)N[C@@H]1CCOC1 512a_100138425928_200015188469 [0,1,0,1,0,0|2,0,0]=4 14210 B12R1.260 CC(C)NC(=O)N[C@H]1CCOC1 2708a_100015188467_100138425928 [0,1,0,1,0,0|2,0,0]=4 14211 B12R1.260 CC(C)NC(=O)N[C@H]1CCOC1 2708a_100138425928_100015188467 [0,1,0,1,0,0|2,0,0]=4 14212 B12R1.260 CC(C)NC(=O)N[C@H]1CCOC1 273464a_100138425928_100015188467 [0,1,0,1,0,0|2,0,0]=4 14213 B12R1.260 CC(C)NC(=O)N[C@H]1CCOC1 512a_100015188467_100138425928 [0,1,0,1,0,0|2,0,0]=4 14214 B12R1.260 CC(C)NC(=O)N[C@H]1CCOC1 512a_100138425928_100015188467 [0,1,0,1,0,0|2,0,0]=4 14215 B12R1.260 CC(C)OC(=O)CN1CCCC1 2230a_100000188435_100011215430 [0,1,0,1,0,0|2,0,0]=4 14216 B12R1.260 CC(C)OC(=O)CN1CCCC1 269982a_100000188435_100011215430 [0,1,0,1,0,0|2,0,0]=4 14217 B12R1.260 CC(O)CC(=O)C=C1CCCC1 1458a_100000743260_100011218427 [0,1,0,1,0,0|2,0,0]=4 14218 B12R1.260 CC(O)CC(=O)CC1CCCC1 1458a_100000210891_100011218427 [0,1,0,1,0,0|2,0,0]=4 14219 B12R1.260 CC(O)CC(=O)CC1CCOC1 1458a_100011218419_100011218427 [0,1,0,1,0,0|2,0,0]=4 14220 B12R1.260 CC(O)CC(=O)CN1CCCC1 1458a_100000740243_100011218427 [0,1,0,1,0,0|2,0,0]=4 14221 B12R1.260 CN(C)CC(=O)CC1CCCC1 1458a_100000750896_100000740388 [0,1,0,1,0,0|2,0,0]=4 14222 B12R1.260 CN(C)CC(=O)CC1CCCO1 1458a_100000750896_100000203698 [0,1,0,1,0,0|2,0,0]=4 14223 B12R1.260 CN(C)CC(=O)CC1CCOC1 1458a_100000750896_100000702531 [0,1,0,1,0,0|2,0,0]=4 14224 B12R1.260 CN(C)CC(=O)NC1CCCC1 11a_100000211070_100000750896 [0,1,0,1,0,0|2,0,0]=4 14225 B12R1.260 CN(C)CC(=O)NC1CCCC1 2230a_100102631434_100000183512 [0,1,0,1,0,0|2,0,0]=4 14226 B12R1.260 CN(C)CC(=O)NC1CCCC1 240690a_100000211070_100000750896 [0,1,0,1,0,0|2,0,0]=4 14227 B12R1.260 CN(C)CC(=O)NC1CCCC1 269982a_100102631434_100000183512 [0,1,0,1,0,0|2,0,0]=4 14228 B12R1.260 CN(C)CC(=O)NC1CCCC1 527a_100000211070_100000750896 [0,1,0,1,0,0|2,0,0]=4 14229 B12R1.260 CN(C)CC(=O)N[C@@H]1CCOC1 240690a_200015188469_100000750896 [0,1,0,1,0,0|2,0,0]=4 14230 B12R1.260 CN(C)CC(=O)N[C@@H]1CCOC1 527a_200015188469_100000750896 [0,1,0,1,0,0|2,0,0]=4 14231 B12R1.260 CN(C)CC(=O)N[C@H]1CCOC1 11a_100015188467_100000750896 [0,1,0,1,0,0|2,0,0]=4 14232 B12R1.260 CN(C)CC(=O)N[C@H]1CCOC1 240690a_100015188467_100000750896 [0,1,0,1,0,0|2,0,0]=4 14233 B12R1.260 CN(C)CC(=O)N[C@H]1CCOC1 527a_100015188467_100000750896 [0,1,0,1,0,0|2,0,0]=4 14234 B12R1.260 C[C@@H](O)CC(=O)CC1CCCC1 1458a_100011933948_100000740388 [0,1,0,1,0,0|2,0,0]=4 14235 B12R1.260 C[C@@H](O)CC(=O)CC1CCCO1 1458a_100011933948_100000203698 [0,1,0,1,0,0|2,0,0]=4 14236 B12R1.260 C[C@@H](O)CC(=O)CC1CCOC1 1458a_100011933948_100000702531 [0,1,0,1,0,0|2,0,0]=4 14237 B12R1.260 C[C@@H](O)CC(=O)NC1CCCC1 240690a_100000211070_100011933948 [0,1,0,1,0,0|2,0,0]=4 14238 B12R1.260 C[C@@H](O)CC(=O)N[C@@H]1CCOC1 240690a_200015188469_100011933948 [0,1,0,1,0,0|2,0,0]=4 14239 B12R1.260 C[C@@H](O)CC(=O)N[C@H]1CCOC1 240690a_100015188467_100011933948 [0,1,0,1,0,0|2,0,0]=4 14240 B12R1.260 C[S+](C)CC(=O)CC1CCCC1 1458a_200159257847_100000740388 [0,1,0,1,0,0|2,0,0]=4 14241 B12R1.260 C[S+](C)CC(=O)CC1CCCO1 1458a_200159257847_100000203698 [0,1,0,1,0,0|2,0,0]=4 14242 B12R1.260 C[S+](C)CC(=O)CC1CCOC1 1458a_200159257847_100000702531 [0,1,0,1,0,0|2,0,0]=4 14243 B12R1.260 C[S+](C)CC(=O)NC1CCCC1 11a_100000211070_200159257847 [0,1,0,1,0,0|2,0,0]=4 14244 B12R1.260 C[S+](C)CC(=O)NC1CCCC1 1626a_100000211070_200159257847 [0,1,0,1,0,0|2,0,0]=4 14245 B12R1.260 C[S+](C)CC(=O)NC1CCCC1 240690a_100000211070_200159257847 [0,1,0,1,0,0|2,0,0]=4 14246 B12R1.260 C[S+](C)CC(=O)NC1CCCC1 527a_100000211070_200159257847 [0,1,0,1,0,0|2,0,0]=4 14247 B12R1.260 C[S+](C)CC(=O)N[C@@H]1CCOC1 240690a_200015188469_200159257847 [0,1,0,1,0,0|2,0,0]=4 14248 B12R1.260 C[S+](C)CC(=O)N[C@@H]1CCOC1 527a_200015188469_200159257847 [0,1,0,1,0,0|2,0,0]=4 14249 B12R1.260 C[S+](C)CC(=O)N[C@H]1CCOC1 11a_100015188467_200159257847 [0,1,0,1,0,0|2,0,0]=4 14250 B12R1.260 C[S+](C)CC(=O)N[C@H]1CCOC1 1626a_100015188467_200159257847 [0,1,0,1,0,0|2,0,0]=4 14251 B12R1.260 C[S+](C)CC(=O)N[C@H]1CCOC1 240690a_100015188467_200159257847 [0,1,0,1,0,0|2,0,0]=4 14252 B12R1.260 C[S+](C)CC(=O)N[C@H]1CCOC1 527a_100015188467_200159257847 [0,1,0,1,0,0|2,0,0]=4 14253 B12R1.521 C=C(CCC)CC(=O)CC1CC1 1458a_100000138376_100000742324 [0,1,0,1,0,0|1,0,1]=4 14254 B12R1.521 CCCC(=CC(=O)CC1CC1)C 1458a_100020676950_100000742324 [0,1,0,1,0,0|1,0,1]=4 14255 B12R1.521 CCCC(=O)CC(=O)CC1CC1 1458a_100000738066_100000747444 [0,1,0,1,0,0|1,0,1]=4 14256 B12R1.521 CCCC(C)CC(=O)CC1CC1 1458a_100000738066_100011216630 [0,1,0,1,0,0|1,0,0]=3 14257 B12R1.521 CCCC(C)CC(=O)CC1CC1 1458a_100000748435_100000742324 [0,1,0,1,0,0|1,0,0]=3 14258 B12R1.521 CCCC(C)CC(=O)CC1CO1 1458a_100000748435_100011216344 [0,1,0,1,0,0|2,0,0]=4 14259 B12R1.521 CCCC(C)CC(=O)CC1CS1 1458a_100000748435_100000031435 [0,1,0,1,0,0|2,0,0]=4 14260 B12R1.521 CCCC(C)CC(=O)C[C@@H]1CO1 1458a_100000748435_100000745022 [0,1,0,1,0,0|2,0,0]=4 14261 B12R1.521 CCCC(C)CC(=O)NC1CC1 1626a_100000212008_100000748435 [0,1,0,1,0,0|2,0,0]=4 14262 B12R1.521 CCCC(C)CC(=O)NC1CC1 240690a_100000212008_100000748435 [0,1,0,1,0,0|2,0,0]=4 14263 B12R1.521 CCCC(C)CC(=O)NC1CC1 527a_100000212008_100000748435 [0,1,0,1,0,0|2,0,0]=4 14264 B12R1.521 CCCC(C)NC(=O)CC1CC1 11a_100000741246_100000738066 [0,1,0,1,0,0|1,0,0]=3 14265 B12R1.521 CCCC(C)NC(=O)CC1CC1 1626a_100000741246_100000738066 [0,1,0,1,0,0|1,0,0]=3 14266 B12R1.521 CCCC(C)NC(=O)CC1CC1 240690a_100000741246_100000738066 [0,1,0,1,0,0|1,0,0]=3 14267 B12R1.521 CCCC(C)NC(=O)CC1CC1 527a_100000741246_100000738066 [0,1,0,1,0,0|1,0,0]=3 14268 B12R1.521 CCCC(C)NC(=O)NC1CC1 2708a_100000212008_100000741246 [0,1,0,1,0,0|2,0,0]=4 14269 B12R1.521 CCCC(C)NC(=O)NC1CC1 2708a_100000741246_100000212008 [0,1,0,1,0,0|2,0,0]=4 14270 B12R1.521 CCCC(C)NC(=O)NC1CC1 273464a_100000741246_100000212008 [0,1,0,1,0,0|2,0,0]=4 14271 B12R1.521 CCCC(C)NC(=O)NC1CC1 512a_100000212008_100000741246 [0,1,0,1,0,0|2,0,0]=4 14272 B12R1.521 CCCS(=O)CC(=O)CC1CC1 1458a_100011387404_100000742324 [0,1,0,1,0,0|2,0,0]=4 14273 B12R1.521 CCSC(C)CC(=O)CC1CC1 1458a_200011311441_100000742324 [0,1,0,1,0,0|2,0,0]=4 14274 B12R1.521 COC[C@@H](C)NC(=O)CC1CC1 11a_100000764878_100000738066 [0,1,0,1,0,0|2,0,0]=4 14275 B12R1.521 COC[C@@H](C)NC(=O)CC1CC1 1626a_100000764878_100000738066 [0,1,0,1,0,0|2,0,0]=4 14276 B12R1.521 COC[C@@H](C)NC(=O)CC1CC1 240690a_100000764878_100000738066 [0,1,0,1,0,0|2,0,0]=4 14277 B12R1.521 COC[C@@H](C)NC(=O)CC1CC1 527a_100000764878_100000738066 [0,1,0,1,0,0|2,0,0]=4 14278 B12R1.521 C[C@H](CCO)NC(=O)CC1CC1 240690a_100000706166_100000738066 [0,1,0,1,0,0|2,0,0]=4 14279 B12R1.521 C[C@H](CCO)NC(=O)CC1CC1 527a_100000706166_100000738066 [0,1,0,1,0,0|2,0,0]=4 14280 B12R1.1061 C=C1CC(C1)NC(=O)CC(C)C 11a_100132301982_100000210554 [0,1,0,1,0,0|1,0,1]=4 14281 B12R1.1061 C=C1CC(C1)NC(=O)CC(C)C 1626a_100132301982_100000210554 [0,1,0,1,0,0|1,0,1]=4 14282 B12R1.1061 C=C1CC(C1)NC(=O)CC(C)C 527a_100132301982_100000210554 [0,1,0,1,0,0|1,0,1]=4 14283 B12R1.1061 CC(C)CC(=O)CC1CC(=O)C1 1458a_100000210554_100009874392 [0,1,0,1,0,0|1,0,1]=4 14284 B12R1.1061 CC(C)CC(=O)NC1CC(C1)F 11a_100016993743_100000210554 [0,1,0,1,0,0|1,0,0]=3 14285 B12R1.1061 CC(C)CC(=O)NC1CC(C1)F 1626a_100016993743_100000210554 [0,1,0,1,0,0|1,0,0]=3 14286 B12R1.1061 CC(C)CC(=O)NC1CC(C1)F 240690a_100016993743_100000210554 [0,1,0,1,0,0|1,0,0]=3 14287 B12R1.1061 CC(C)CC(=O)NC1CC(C1)F 527a_100016993743_100000210554 [0,1,0,1,0,0|1,0,0]=3 14288 B12R1.1061 CC(C)CC(=O)NC1CN(C1)C 240690a_100015196640_100000210554 [0,1,0,1,0,0|2,0,0]=4 14289 B12R1.1061 CC(C)CC(=O)N[C@H]1C[C@@H](C1)O 11a_100020629032_100000210554 [0,1,0,1,0,0|1,0,0]=3 14290 B12R1.1061 CC(C)CC(=O)N[C@H]1C[C@@H](C1)O 1626a_100020629032_100000210554 [0,1,0,1,0,0|1,0,0]=3 14291 B12R1.1061 CC(C)CC(=O)N[C@H]1C[C@@H](C1)O 240690a_100020629032_100000210554 [0,1,0,1,0,0|1,0,0]=3 14292 B12R1.1061 CC(C)CC(=O)N[C@H]1C[C@@H](C1)O 527a_100020629032_100000210554 [0,1,0,1,0,0|1,0,0]=3 14293 B12R1.1061 CC(C)NC(=O)NC1CC(C1)F 2708a_100016993743_100138425928 [0,1,0,1,0,0|2,0,0]=4 14294 B12R1.1061 CC(C)NC(=O)NC1CC(C1)F 2708a_100138425928_100016993743 [0,1,0,1,0,0|2,0,0]=4 14295 B12R1.1061 CC(C)NC(=O)NC1CC(C1)F 273464a_100138425928_100016993743 [0,1,0,1,0,0|2,0,0]=4 14296 B12R1.1061 CC(C)NC(=O)NC1CC(C1)F 512a_100016993743_100138425928 [0,1,0,1,0,0|2,0,0]=4 14297 B12R1.1061 CC(C)NC(=O)NC1CC(C1)F 512a_100138425928_100016993743 [0,1,0,1,0,0|2,0,0]=4 14298 B12R1.1061 CC(C)NC(=O)N[C@H]1C[C@@H](C1)O 2708a_100138425928_100020629032 [0,1,0,1,0,0|2,0,0]=4 14299 B12R1.1061 CC(C)NC(=O)N[C@H]1C[C@@H](C1)O 273464a_100138425928_100020629032 [0,1,0,1,0,0|2,0,0]=4 14300 B12R1.1061 CC(C)NC(=O)N[C@H]1C[C@@H](C1)O 512a_100020629032_100138425928 [0,1,0,1,0,0|2,0,0]=4 14301 B12R1.1061 CC(C)NC(=O)N[C@H]1C[C@@H](C1)O 512a_100138425928_100020629032 [0,1,0,1,0,0|2,0,0]=4 14302 B12R1.1061 CN(C)CC(=O)NC1CC(C1)F 11a_100016993743_100000750896 [0,1,0,1,0,0|2,0,0]=4 14303 B12R1.1061 CN(C)CC(=O)NC1CC(C1)F 240690a_100016993743_100000750896 [0,1,0,1,0,0|2,0,0]=4 14304 B12R1.1061 CN(C)CC(=O)NC1CC(C1)F 527a_100016993743_100000750896 [0,1,0,1,0,0|2,0,0]=4 14305 B12R1.1061 CN(C)CC(=O)N[C@H]1C[C@@H](C1)O 11a_100020629032_100000750896 [0,1,0,1,0,0|2,0,0]=4 14306 B12R1.1061 CN(C)CC(=O)N[C@H]1C[C@@H](C1)O 240690a_100020629032_100000750896 [0,1,0,1,0,0|2,0,0]=4 14307 B12R1.1061 CN(C)CC(=O)N[C@H]1C[C@@H](C1)O 527a_100020629032_100000750896 [0,1,0,1,0,0|2,0,0]=4 14308 B12R1.1061 C[C@@H](O)CC(=O)NC1CC(C1)F 240690a_100016993743_100011933948 [0,1,0,1,0,0|2,0,0]=4 14309 B12R1.1061 C[C@@H](O)CC(=O)N[C@H]1C[C@@H](C1)O 240690a_100020629032_100011933948 [0,1,0,1,0,0|2,0,0]=4 14310 B12R1.1061 C[S+](C)CC(=O)NC1CC(C1)F 11a_100016993743_200159257847 [0,1,0,1,0,0|2,0,0]=4 14311 B12R1.1061 C[S+](C)CC(=O)NC1CC(C1)F 1626a_100016993743_200159257847 [0,1,0,1,0,0|2,0,0]=4 14312 B12R1.1061 C[S+](C)CC(=O)NC1CC(C1)F 240690a_100016993743_200159257847 [0,1,0,1,0,0|2,0,0]=4 14313 B12R1.1061 C[S+](C)CC(=O)NC1CC(C1)F 527a_100016993743_200159257847 [0,1,0,1,0,0|2,0,0]=4 14314 B12R1.1061 C[S+](C)CC(=O)N[C@H]1C[C@@H](C1)O 11a_100020629032_200159257847 [0,1,0,1,0,0|2,0,0]=4 14315 B12R1.1061 C[S+](C)CC(=O)N[C@H]1C[C@@H](C1)O 1626a_100020629032_200159257847 [0,1,0,1,0,0|2,0,0]=4 14316 B12R1.1061 C[S+](C)CC(=O)N[C@H]1C[C@@H](C1)O 240690a_100020629032_200159257847 [0,1,0,1,0,0|2,0,0]=4 14317 B12R1.1061 C[S+](C)CC(=O)N[C@H]1C[C@@H](C1)O 527a_100020629032_200159257847 [0,1,0,1,0,0|2,0,0]=4 14318 B12R1.1811 CC(=CC(=O)CC(C)C)C1CC1 1458a_100000742917_100000210624 [0,1,0,1,0,0|1,0,1]=4 14319 B12R1.1811 CC(C)CC(=O)CC(=O)C1CC1 1458a_100000210554_100000746382 [0,1,0,1,0,0|1,0,1]=4 14320 B12R1.1811 CC(C)CC(=O)NC(C)C1CC1 11a_100000700016_100000210554 [0,1,0,1,0,0|1,0,0]=3 14321 B12R1.1811 CC(C)CC(=O)NC(C)C1CC1 1626a_100000700016_100000210554 [0,1,0,1,0,0|1,0,0]=3 14322 B12R1.1811 CC(C)CC(=O)NC(C)C1CC1 240690a_100000700016_100000210554 [0,1,0,1,0,0|1,0,0]=3 14323 B12R1.1811 CC(C)CC(=O)NC(C)C1CC1 527a_100000700016_100000210554 [0,1,0,1,0,0|1,0,0]=3 14324 B12R1.1811 CC(C)CC(C)OC(C)C1CC1 34a_100000744524_100000731052 [0,1,0,1,0,0|1,0,1]=4 14325 B12R1.1811 CC(C)CC(C)OC(C)C1CC1 7a_100000744524_100000731052 [0,1,0,1,0,0|1,0,1]=4 14326 B12R1.1811 CC(C)NC(=O)NC(C)C1CC1 2708a_100000700016_100138425928 [0,1,0,1,0,0|2,0,0]=4 14327 B12R1.1811 CC(C)NC(=O)NC(C)C1CC1 2708a_100138425928_100000700016 [0,1,0,1,0,0|2,0,0]=4 14328 B12R1.1811 CC(C)NC(=O)NC(C)C1CC1 273464a_100138425928_100000700016 [0,1,0,1,0,0|2,0,0]=4 14329 B12R1.1811 CC(C)NC(=O)NC(C)C1CC1 512a_100000700016_100138425928 [0,1,0,1,0,0|2,0,0]=4 14330 B12R1.1811 CC(C)NC(=O)NC(C)C1CC1 512a_100138425928_100000700016 [0,1,0,1,0,0|2,0,0]=4 14331 B12R1.1811 CC(NC(=O)CN(C)C)C1CC1 11a_100000700016_100000750896 [0,1,0,1,0,0|2,0,0]=4 14332 B12R1.1811 CC(NC(=O)CN(C)C)C1CC1 240690a_100000700016_100000750896 [0,1,0,1,0,0|2,0,0]=4 14333 B12R1.1811 CC(NC(=O)CN(C)C)C1CC1 527a_100000700016_100000750896 [0,1,0,1,0,0|2,0,0]=4 14334 B12R1.1811 CC(NC(=O)C[C@@H](C)O)C1CC1 240690a_100000700016_100011933948 [0,1,0,1,0,0|2,0,0]=4 14335 B12R1.1811 CC(NC(=O)C[S+](C)C)C1CC1 11a_100000700016_200159257847 [0,1,0,1,0,0|2,0,0]=4 14336 B12R1.1811 CC(NC(=O)C[S+](C)C)C1CC1 1626a_100000700016_200159257847 [0,1,0,1,0,0|2,0,0]=4 14337 B12R1.1811 CC(NC(=O)C[S+](C)C)C1CC1 240690a_100000700016_200159257847 [0,1,0,1,0,0|2,0,0]=4 14338 B12R1.1811 CC(NC(=O)C[S+](C)C)C1CC1 527a_100000700016_200159257847 [0,1,0,1,0,0|2,0,0]=4 14339 B12R1.2686 CC(C)CC(=O)CC1(CCC1)C 1458a_100000210554_100000726658 [0,1,0,1,0,0|1,0,0]=3 14340 B12R1.2686 CC(C)CC(=O)CC1(COC1)C 1458a_100000210554_100000066812 [0,1,0,1,0,0|2,0,0]=4 14341 B12R1.2686 CC(C)CC(=O)NC1(CCC1)C 11a_100000692455_100000210554 [0,1,0,1,0,0|1,0,0]=3 14342 B12R1.2686 CC(C)CC(=O)NC1(CCC1)C 1626a_100000692455_100000210554 [0,1,0,1,0,0|1,0,0]=3 14343 B12R1.2686 CC(C)CC(=O)NC1(CCC1)C 240690a_100000692455_100000210554 [0,1,0,1,0,0|1,0,0]=3 14344 B12R1.2686 CC(C)CC(=O)NC1(CCC1)C 527a_100000692455_100000210554 [0,1,0,1,0,0|1,0,0]=3 14345 B12R1.2686 CC(C)CC(=O)NC1(COC1)C 11a_100000732644_100000210554 [0,1,0,1,0,0|2,0,0]=4 14346 B12R1.2686 CC(C)CC(=O)NC1(COC1)C 1626a_100000732644_100000210554 [0,1,0,1,0,0|2,0,0]=4 14347 B12R1.2686 CC(C)CC(=O)NC1(COC1)C 527a_100000732644_100000210554 [0,1,0,1,0,0|2,0,0]=4 14348 B12R1.2686 CC(C)CC(C)OC1(CCC1)C 34a_100000759064_100000731052 [0,1,0,1,0,0|1,0,1]=4 14349 B12R1.2686 CC(C)CC(C)OC1(CCC1)C 7a_100000759064_100000731052 [0,1,0,1,0,0|1,0,1]=4 14350 B12R1.2686 CC(C)NC(=O)NC1(CCC1)C 2708a_100138425928_100000692455 [0,1,0,1,0,0|2,0,0]=4 14351 B12R1.2686 CC(C)NC(=O)NC1(CCC1)C 273464a_100138425928_100000692455 [0,1,0,1,0,0|2,0,0]=4 14352 B12R1.2686 CC(C)NC(=O)NC1(CCC1)C 512a_100000692455_100138425928 [0,1,0,1,0,0|2,0,0]=4 14353 B12R1.2686 CC(C)NC(=O)NC1(CCC1)C 512a_100138425928_100000692455 [0,1,0,1,0,0|2,0,0]=4 14354 B12R1.2686 CN(C)CC(=O)CC1(CCC1)C 1458a_100000750896_100000726658 [0,1,0,1,0,0|2,0,0]=4 14355 B12R1.2686 CN(C)CC(=O)NC1(CCC1)C 11a_100000692455_100000750896 [0,1,0,1,0,0|2,0,0]=4 14356 B12R1.2686 CN(C)CC(=O)NC1(CCC1)C 240690a_100000692455_100000750896 [0,1,0,1,0,0|2,0,0]=4 14357 B12R1.2686 CN(C)CC(=O)NC1(CCC1)C 527a_100000692455_100000750896 [0,1,0,1,0,0|2,0,0]=4 14358 B12R1.2686 C[C@@H](O)CC(=O)CC1(CCC1)C 1458a_100011933948_100000726658 [0,1,0,1,0,0|2,0,0]=4 14359 B12R1.2686 C[C@@H](O)CC(=O)NC1(CCC1)C 240690a_100000692455_100011933948 [0,1,0,1,0,0|2,0,0]=4 14360 B12R1.2686 C[S+](C)CC(=O)CC1(CCC1)C 1458a_200159257847_100000726658 [0,1,0,1,0,0|2,0,0]=4 14361 B12R1.2686 C[S+](C)CC(=O)NC1(CCC1)C 11a_100000692455_200159257847 [0,1,0,1,0,0|2,0,0]=4 14362 B12R1.2686 C[S+](C)CC(=O)NC1(CCC1)C 1626a_100000692455_200159257847 [0,1,0,1,0,0|2,0,0]=4 14363 B12R1.2686 C[S+](C)CC(=O)NC1(CCC1)C 240690a_100000692455_200159257847 [0,1,0,1,0,0|2,0,0]=4 14364 B12R1.2686 C[S+](C)CC(=O)NC1(CCC1)C 527a_100000692455_200159257847 [0,1,0,1,0,0|2,0,0]=4 14365 B12R1.3418 CC1CC1C(=O)N[C@H](C)CCO 527a_100000706166_100000211227 [0,1,0,1,0,0|2,0,0]=4 14366 B12R1.3418 CCCC(=O)CC(=O)C1CC1C 1458a_100000211227_100000747444 [0,1,0,1,0,0|1,0,1]=4 14367 B12R1.3418 CCCC(C)CC(=O)C1CC1C 1458a_100000211227_100011216630 [0,1,0,1,0,0|1,0,0]=3 14368 B12R1.3418 CCCC(C)CC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100011216630 [0,1,0,1,0,0|2,0,0]=4 14369 B12R1.3418 CCCC(C)NC(=O)C1CC1C 11a_100000741246_100000211227 [0,1,0,1,0,0|1,0,0]=3 14370 B12R1.3418 CCCC(C)NC(=O)C1CC1C 1626a_100000741246_100000211227 [0,1,0,1,0,0|1,0,0]=3 14371 B12R1.3418 CCCC(C)NC(=O)C1CC1C 527a_100000741246_100000211227 [0,1,0,1,0,0|1,0,0]=3 14372 B12R1.3418 CCCC(C)NC(=O)[C@@H]1C[C@@H]1F 11a_100000741246_100015396687 [0,1,0,1,0,0|2,0,0]=4 14373 B12R1.3418 CCCC(C)NC(=O)[C@@H]1C[C@@H]1F 240690a_100000741246_100015396687 [0,1,0,1,0,0|2,0,0]=4 14374 B12R1.3418 CCCC(C)NC(=O)[C@@H]1C[C@@H]1F 527a_100000741246_100015396687 [0,1,0,1,0,0|2,0,0]=4 14375 B12R1.3418 COC[C@@H](C)NC(=O)C1CC1C 11a_100000764878_100000211227 [0,1,0,1,0,0|2,0,0]=4 14376 B12R1.3418 COC[C@@H](C)NC(=O)C1CC1C 1626a_100000764878_100000211227 [0,1,0,1,0,0|2,0,0]=4 14377 B12R1.3418 COC[C@@H](C)NC(=O)C1CC1C 527a_100000764878_100000211227 [0,1,0,1,0,0|2,0,0]=4 14378 B12R1.7 CC1CCC(C1)OCCCCF 34a_100000698185_100000729493 [0,1,0,1,0,0|1,0,1]=4 14379 B12R1.7 CC1CCC(C1)OCCCCO 34a_100000698185_100011216708 [0,1,0,1,0,0|1,0,1]=4 14380 B12R1.7 CCCCCOC1CCC(C1)C 34a_100000698185_100000718602 [0,1,0,1,0,0|1,0,1]=4 14381 B12R1.7 CCCCNN=C1CCC(C1)C 4a_100025702795_100011215218 [0,1,0,1,0,0|2,0,0]=4 14382 B12R1.7 CCCCOCN1CC[C@H](C1)C 2230a_100016987628_100011995733 [0,1,0,1,0,0|2,0,0]=4 14383 B12R1.7 CCCCOCN1CC[C@H](C1)C 269982a_100016987628_100011995733 [0,1,0,1,0,0|2,0,0]=4 14384 B12R1.7 CCCCOCN1CC[C@H](C1)C 34a_100016987628_100011995733 [0,1,0,1,0,0|2,0,0]=4 14385 B12R1.7 CCOCCOC1CCC(C1)C 34a_100000698185_100000210147 [0,1,0,1,0,0|1,0,1]=4 14386 B12R1.7 CCSCCOC1CCC(C1)C 34a_100000698185_100000757381 [0,1,0,1,0,0|1,0,1]=4 14387 B12R1.7 COCCCOC1CCC(C1)C 34a_100000698185_100000740836 [0,1,0,1,0,0|1,0,1]=4 14388 B12R1.107 C=C(C)CC(=O)C1CCCCO1 1458a_100000748299_100000748629 [0,1,0,1,0,0|0,0,2]=4 14389 B12R1.107 CC(C)CC(=O)C1=CCCCC1 1458a_100000765259_100000210624 [0,1,0,1,0,0|1,0,0]=3 14390 B12R1.107 CC(C)CC(=O)C1=CCCCO1 1458a_100000764163_100000210624 [0,1,0,1,0,0|0,0,1]=3 14391 B12R1.107 CC(C)CC(=O)C1=COCCC1 1458a_100000749935_100000210624 [0,1,0,1,0,0|1,0,1]=4 14392 B12R1.107 CC(C)CC(=O)C1=COCCO1 1458a_100000008702_100000210624 [0,1,0,1,0,0|1,0,1]=4 14393 B12R1.107 CC(C)CC(=O)C1C=CCCC1 1458a_100000210554_100000751183 [0,1,0,1,0,0|1,0,1]=4 14394 B12R1.107 CC(C)CC(=O)C1CCCCC1 1458a_100000210554_100000210327 [0,1,0,1,0,0|1,0,0]=3 14395 B12R1.107 CC(C)CC(=O)C1CCCCC1 1458a_100000210647_100000210624 [0,1,0,1,0,0|1,0,0]=3 14396 B12R1.107 CC(C)CC(=O)C1CCCCO1 1458a_100000748299_100000210624 [0,1,0,1,0,0|0,0,0]=2 14397 B12R1.107 CC(C)CC(=O)C1CCCOC1 1458a_100000210554_100000693364 [0,1,0,1,0,0|1,0,0]=3 14398 B12R1.107 CC(C)CC(=O)C1CCCOC1 1458a_100000741522_100000210624 [0,1,0,1,0,0|1,0,0]=3 14399 B12R1.107 CC(C)CC(=O)C1CCOCC1 1458a_100000195482_100000210624 [0,1,0,1,0,0|1,0,0]=3 14400 B12R1.107 CC(C)CC(=O)C1CCOCC1 1458a_100000210554_100011324220 [0,1,0,1,0,0|1,0,0]=3 14401 B12R1.107 CC(C)CC(=O)C1CCSCC1 1458a_100000755232_100000210624 [0,1,0,1,0,0|1,0,0]=3 14402 B12R1.107 CC(C)CC(=O)C1COCCO1 1458a_100000045528_100000210624 [0,1,0,1,0,0|1,0,0]=3 14403 B12R1.107 CC(C)CC(=O)C1SCCCS1 1458a_100000028545_100000210624 [0,1,0,1,0,0|1,1,0]=4 14404 B12R1.107 CC(C)CC(=O)N1CC=CCC1 11a_100000698166_100000210554 [0,1,0,1,0,0|1,0,1]=4 14405 B12R1.107 CC(C)CC(=O)N1CC=CCC1 1626a_100000698166_100000210554 [0,1,0,1,0,0|1,0,1]=4 14406 B12R1.107 CC(C)CC(=O)N1CC=CCC1 240690a_100000698166_100000210554 [0,1,0,1,0,0|1,0,1]=4 14407 B12R1.107 CC(C)CC(=O)N1CC=CCC1 527a_100000698166_100000210554 [0,1,0,1,0,0|1,0,1]=4 14408 B12R1.107 CC(C)CC(=O)N1CCCOC1 11a_100000131196_100000210554 [0,1,0,1,0,0|1,0,0]=3 14409 B12R1.107 CC(C)CC(=O)N1CCCOC1 240690a_100000131196_100000210554 [0,1,0,1,0,0|1,0,0]=3 14410 B12R1.107 CC(C)CC(=O)N1CCOCC1 11a_100015191051_100000210554 [0,1,0,1,0,0|1,0,0]=3 14411 B12R1.107 CC(C)CC(=O)N1CCOCC1 1626a_100015191051_100000210554 [0,1,0,1,0,0|1,0,0]=3 14412 B12R1.107 CC(C)CC(=O)N1CCOCC1 240690a_100015191051_100000210554 [0,1,0,1,0,0|1,0,0]=3 14413 B12R1.107 CC(C)CC(=O)N1CCOCC1 527a_100015191051_100000210554 [0,1,0,1,0,0|1,0,0]=3 14414 B12R1.107 CC(C)CC(=O)N1CCSCC1 11a_100000737611_100000210554 [0,1,0,1,0,0|1,0,0]=3 14415 B12R1.107 CC(C)CC(=O)N1CCSCC1 240690a_100000737611_100000210554 [0,1,0,1,0,0|1,0,0]=3 14416 B12R1.107 CC(C)CC(=O)N1CCSCC1 527a_100000737611_100000210554 [0,1,0,1,0,0|1,0,0]=3 14417 B12R1.107 CC(C)CC(=O)[C@H]1CC=CCC1 1458a_100009820709_100000210624 [0,1,0,1,0,0|1,0,1]=4 14418 B12R1.107 CC(C)NC(=O)C1=CCCCC1 11a_100138425928_100000765259 [0,1,0,1,0,0|2,0,0]=4 14419 B12R1.107 CC(C)NC(=O)C1=CCCCC1 1626a_100138425928_100000765259 [0,1,0,1,0,0|2,0,0]=4 14420 B12R1.107 CC(C)NC(=O)C1=CCCCC1 240690a_100138425928_100000765259 [0,1,0,1,0,0|2,0,0]=4 14421 B12R1.107 CC(C)NC(=O)C1=CCCCC1 527a_100138425928_100000765259 [0,1,0,1,0,0|2,0,0]=4 14422 B12R1.107 CC(C)NC(=O)C1=CCCCO1 11a_100138425928_100000764163 [0,1,0,1,0,0|1,0,1]=4 14423 B12R1.107 CC(C)NC(=O)C1=CCCCO1 1626a_100138425928_100000764163 [0,1,0,1,0,0|1,0,1]=4 14424 B12R1.107 CC(C)NC(=O)C1=CCCCO1 240690a_100138425928_100000764163 [0,1,0,1,0,0|1,0,1]=4 14425 B12R1.107 CC(C)NC(=O)C1=CCCCO1 527a_100138425928_100000764163 [0,1,0,1,0,0|1,0,1]=4 14426 B12R1.107 CC(C)NC(=O)C1CCCCC1 11a_100138425928_100000210647 [0,1,0,1,0,0|2,0,0]=4 14427 B12R1.107 CC(C)NC(=O)C1CCCCC1 1626a_100138425928_100000210647 [0,1,0,1,0,0|2,0,0]=4 14428 B12R1.107 CC(C)NC(=O)C1CCCCC1 240690a_100138425928_100000210647 [0,1,0,1,0,0|2,0,0]=4 14429 B12R1.107 CC(C)NC(=O)C1CCCCC1 527a_100138425928_100000210647 [0,1,0,1,0,0|2,0,0]=4 14430 B12R1.107 CC(C)NC(=O)C1CCCCO1 11a_100138425928_100000748299 [0,1,0,1,0,0|1,0,0]=3 14431 B12R1.107 CC(C)NC(=O)C1CCCCO1 1626a_100138425928_100000748299 [0,1,0,1,0,0|1,0,0]=3 14432 B12R1.107 CC(C)NC(=O)C1CCCCO1 240690a_100138425928_100000748299 [0,1,0,1,0,0|1,0,0]=3 14433 B12R1.107 CC(C)NC(=O)C1CCCCO1 527a_100138425928_100000748299 [0,1,0,1,0,0|1,0,0]=3 14434 B12R1.107 CC(C)NC(=O)C1CCCOC1 11a_100138425928_100000741522 [0,1,0,1,0,0|2,0,0]=4 14435 B12R1.107 CC(C)NC(=O)C1CCCOC1 1626a_100138425928_100000741522 [0,1,0,1,0,0|2,0,0]=4 14436 B12R1.107 CC(C)NC(=O)C1CCCOC1 240690a_100138425928_100000741522 [0,1,0,1,0,0|2,0,0]=4 14437 B12R1.107 CC(C)NC(=O)C1CCCOC1 527a_100138425928_100000741522 [0,1,0,1,0,0|2,0,0]=4 14438 B12R1.107 CC(C)NC(=O)C1CCOCC1 11a_100138425928_100000195482 [0,1,0,1,0,0|2,0,0]=4 14439 B12R1.107 CC(C)NC(=O)C1CCOCC1 1626a_100138425928_100000195482 [0,1,0,1,0,0|2,0,0]=4 14440 B12R1.107 CC(C)NC(=O)C1CCOCC1 240690a_100138425928_100000195482 [0,1,0,1,0,0|2,0,0]=4 14441 B12R1.107 CC(C)NC(=O)C1CCOCC1 527a_100138425928_100000195482 [0,1,0,1,0,0|2,0,0]=4 14442 B12R1.107 CC(C)NC(=O)C1CCSCC1 11a_100138425928_100000755232 [0,1,0,1,0,0|2,0,0]=4 14443 B12R1.107 CC(C)NC(=O)C1CCSCC1 1626a_100138425928_100000755232 [0,1,0,1,0,0|2,0,0]=4 14444 B12R1.107 CC(C)NC(=O)C1CCSCC1 240690a_100138425928_100000755232 [0,1,0,1,0,0|2,0,0]=4 14445 B12R1.107 CC(C)NC(=O)C1CCSCC1 527a_100138425928_100000755232 [0,1,0,1,0,0|2,0,0]=4 14446 B12R1.107 CC(C)NC(=O)C1COCCO1 11a_100138425928_100000045528 [0,1,0,1,0,0|2,0,0]=4 14447 B12R1.107 CC(C)NC(=O)C1COCCO1 1626a_100138425928_100000045528 [0,1,0,1,0,0|2,0,0]=4 14448 B12R1.107 CC(C)NC(=O)C1COCCO1 240690a_100138425928_100000045528 [0,1,0,1,0,0|2,0,0]=4 14449 B12R1.107 CC(C)NC(=O)C1COCCO1 527a_100138425928_100000045528 [0,1,0,1,0,0|2,0,0]=4 14450 B12R1.107 CC(C)NC(=O)N1CCCOC1 2708a_100138425928_100000131196 [0,1,0,1,0,0|2,0,0]=4 14451 B12R1.107 CC(C)NC(=O)N1CCCOC1 273464a_100138425928_100000131196 [0,1,0,1,0,0|2,0,0]=4 14452 B12R1.107 CC(C)NC(=O)N1CCOCC1 2708a_100138425928_100015191051 [0,1,0,1,0,0|2,0,0]=4 14453 B12R1.107 CC(C)NC(=O)N1CCOCC1 273464a_100138425928_100015191051 [0,1,0,1,0,0|2,0,0]=4 14454 B12R1.107 CC(C)NC(=O)N1CCSCC1 2708a_100138425928_100000737611 [0,1,0,1,0,0|2,0,0]=4 14455 B12R1.107 CC(C)NC(=O)N1CCSCC1 273464a_100138425928_100000737611 [0,1,0,1,0,0|2,0,0]=4 14456 B12R1.107 CC(O)CC(=O)C1=CCCCC1 1458a_100000765259_100011218427 [0,1,0,1,0,0|2,0,0]=4 14457 B12R1.107 CC(O)CC(=O)C1=CCCCO1 1458a_100000764163_100011218427 [0,1,0,1,0,0|1,0,1]=4 14458 B12R1.107 CC(O)CC(=O)C1CCCCC1 1458a_100000210647_100011218427 [0,1,0,1,0,0|2,0,0]=4 14459 B12R1.107 CC(O)CC(=O)C1CCCCO1 1458a_100000748299_100011218427 [0,1,0,1,0,0|1,0,0]=3 14460 B12R1.107 CC(O)CC(=O)C1CCCOC1 1458a_100000741522_100011218427 [0,1,0,1,0,0|2,0,0]=4 14461 B12R1.107 CC(O)CC(=O)C1CCOCC1 1458a_100000195482_100011218427 [0,1,0,1,0,0|2,0,0]=4 14462 B12R1.107 CC(O)CC(=O)C1CCSCC1 1458a_100000755232_100011218427 [0,1,0,1,0,0|2,0,0]=4 14463 B12R1.107 CC(O)CC(=O)C1COCCO1 1458a_100000045528_100011218427 [0,1,0,1,0,0|2,0,0]=4 14464 B12R1.107 CN(C)CC(=O)C1CCCCC1 1458a_100000750896_100000210327 [0,1,0,1,0,0|2,0,0]=4 14465 B12R1.107 CN(C)CC(=O)C1CCCCC1 2230a_100102631434_100000241979 [0,1,0,1,0,0|2,0,0]=4 14466 B12R1.107 CN(C)CC(=O)C1CCCCC1 269982a_100102631434_100000241979 [0,1,0,1,0,0|2,0,0]=4 14467 B12R1.107 CN(C)CC(=O)C1CCCOC1 1458a_100000750896_100000693364 [0,1,0,1,0,0|2,0,0]=4 14468 B12R1.107 CN(C)CC(=O)C1CCOCC1 1458a_100000750896_100011324220 [0,1,0,1,0,0|2,0,0]=4 14469 B12R1.107 CN(C)CC(=O)C1CCOCC1 2230a_100102631434_100000689883 [0,1,0,1,0,0|2,0,0]=4 14470 B12R1.107 CN(C)CC(=O)C1CCOCC1 269982a_100102631434_100000689883 [0,1,0,1,0,0|2,0,0]=4 14471 B12R1.107 CN(C)CC(=O)N1CCCCC1 2230a_100102631434_100000183409 [0,1,0,1,0,0|2,0,0]=4 14472 B12R1.107 CN(C)CC(=O)N1CCCCC1 2230a_200025747655_200000210301 [0,1,0,1,0,0|2,0,0]=4 14473 B12R1.107 CN(C)CC(=O)N1CCCCC1 269982a_100102631434_100000183409 [0,1,0,1,0,0|2,0,0]=4 14474 B12R1.107 CN(C)CC(=O)N1CCCCC1 269982a_200025747655_200000210301 [0,1,0,1,0,0|2,0,0]=4 14475 B12R1.107 CN(C)CC(=O)N1CCCOC1 11a_100000131196_100000750896 [0,1,0,1,0,0|2,0,0]=4 14476 B12R1.107 CN(C)CC(=O)N1CCCOC1 240690a_100000131196_100000750896 [0,1,0,1,0,0|2,0,0]=4 14477 B12R1.107 CN(C)CC(=O)N1CCOCC1 11a_100015191051_100000750896 [0,1,0,1,0,0|2,0,0]=4 14478 B12R1.107 CN(C)CC(=O)N1CCOCC1 2230a_100000687724_200000210301 [0,1,0,1,0,0|2,0,0]=4 14479 B12R1.107 CN(C)CC(=O)N1CCOCC1 2230a_100102631434_100000183410 [0,1,0,1,0,0|2,0,0]=4 14480 B12R1.107 CN(C)CC(=O)N1CCOCC1 240690a_100015191051_100000750896 [0,1,0,1,0,0|2,0,0]=4 14481 B12R1.107 CN(C)CC(=O)N1CCOCC1 269982a_100000687724_200000210301 [0,1,0,1,0,0|2,0,0]=4 14482 B12R1.107 CN(C)CC(=O)N1CCOCC1 269982a_100102631434_100000183410 [0,1,0,1,0,0|2,0,0]=4 14483 B12R1.107 CN(C)CC(=O)N1CCOCC1 527a_100015191051_100000750896 [0,1,0,1,0,0|2,0,0]=4 14484 B12R1.107 CN(C)CC(=O)N1CCSCC1 11a_100000737611_100000750896 [0,1,0,1,0,0|2,0,0]=4 14485 B12R1.107 CN(C)CC(=O)N1CCSCC1 240690a_100000737611_100000750896 [0,1,0,1,0,0|2,0,0]=4 14486 B12R1.107 CN(C)CC(=O)N1CCSCC1 527a_100000737611_100000750896 [0,1,0,1,0,0|2,0,0]=4 14487 B12R1.107 CN([13CH3])CC(=O)N1CCCCC1 2230a_200025747655_200025704644 [0,1,0,1,0,0|2,0,0]=4 14488 B12R1.107 CN([13CH3])CC(=O)N1CCCCC1 269982a_200025747655_200025704644 [0,1,0,1,0,0|2,0,0]=4 14489 B12R1.107 CN([13CH3])CC(=O)N1CCOCC1 2230a_100000687724_200025704644 [0,1,0,1,0,0|2,0,0]=4 14490 B12R1.107 CN([13CH3])CC(=O)N1CCOCC1 269982a_100000687724_200025704644 [0,1,0,1,0,0|2,0,0]=4 14491 B12R1.107 C[C@@H](O)CC(=O)C1CCCCC1 1458a_100011933948_100000210327 [0,1,0,1,0,0|2,0,0]=4 14492 B12R1.107 C[C@@H](O)CC(=O)C1CCCOC1 1458a_100011933948_100000693364 [0,1,0,1,0,0|2,0,0]=4 14493 B12R1.107 C[C@@H](O)CC(=O)C1CCOCC1 1458a_100011933948_100011324220 [0,1,0,1,0,0|2,0,0]=4 14494 B12R1.107 C[C@@H](O)CC(=O)N1CCCOC1 240690a_100000131196_100011933948 [0,1,0,1,0,0|2,0,0]=4 14495 B12R1.107 C[C@@H](O)CC(=O)N1CCOCC1 240690a_100015191051_100011933948 [0,1,0,1,0,0|2,0,0]=4 14496 B12R1.107 C[C@@H](O)CC(=O)N1CCSCC1 240690a_100000737611_100011933948 [0,1,0,1,0,0|2,0,0]=4 14497 B12R1.107 C[S+](C)CC(=O)C1CCCCC1 1458a_200159257847_100000210327 [0,1,0,1,0,0|2,0,0]=4 14498 B12R1.107 C[S+](C)CC(=O)C1CCCOC1 1458a_200159257847_100000693364 [0,1,0,1,0,0|2,0,0]=4 14499 B12R1.107 C[S+](C)CC(=O)C1CCOCC1 1458a_200159257847_100011324220 [0,1,0,1,0,0|2,0,0]=4 14500 B12R1.107 C[S+](C)CC(=O)N1CCCOC1 11a_100000131196_200159257847 [0,1,0,1,0,0|2,0,0]=4 14501 B12R1.107 C[S+](C)CC(=O)N1CCCOC1 240690a_100000131196_200159257847 [0,1,0,1,0,0|2,0,0]=4 14502 B12R1.107 C[S+](C)CC(=O)N1CCOCC1 11a_100015191051_200159257847 [0,1,0,1,0,0|2,0,0]=4 14503 B12R1.107 C[S+](C)CC(=O)N1CCOCC1 1626a_100015191051_200159257847 [0,1,0,1,0,0|2,0,0]=4 14504 B12R1.107 C[S+](C)CC(=O)N1CCOCC1 240690a_100015191051_200159257847 [0,1,0,1,0,0|2,0,0]=4 14505 B12R1.107 C[S+](C)CC(=O)N1CCOCC1 527a_100015191051_200159257847 [0,1,0,1,0,0|2,0,0]=4 14506 B12R1.107 C[S+](C)CC(=O)N1CCSCC1 11a_100000737611_200159257847 [0,1,0,1,0,0|2,0,0]=4 14507 B12R1.107 C[S+](C)CC(=O)N1CCSCC1 240690a_100000737611_200159257847 [0,1,0,1,0,0|2,0,0]=4 14508 B12R1.107 C[S+](C)CC(=O)N1CCSCC1 527a_100000737611_200159257847 [0,1,0,1,0,0|2,0,0]=4 14509 B12R1.107 O=C(CC(F)F)C1CCCCO1 1458a_100000748299_100011934356 [0,1,0,1,0,0|2,0,0]=4 14510 B12R1.142 CC(C)CC(C)OCC1CC1C 34a_100000744939_100000731052 [0,1,0,1,0,0|1,0,1]=4 14511 B12R1.142 CC(C)CC(C)OCC1CC1C 7a_100000744939_100000731052 [0,1,0,1,0,0|1,0,1]=4 14512 B12R1.152 CC(C)NC(=O)CN1CCC1C 269982a_100000755817_100000183996 [0,1,0,1,0,0|2,0,0]=4 14513 B12R1.152 CC(C)NC(=O)CN1CCC1C 34a_100000755817_100000183996 [0,1,0,1,0,0|2,0,0]=4 14514 B12R1.152 CC(C)OC(=O)CN1CCC1C 269982a_100000755817_100011215430 [0,1,0,1,0,0|2,0,0]=4 14515 B12R1.152 CC(C)OC(=O)CN1CCC1C 34a_100000755817_100011215430 [0,1,0,1,0,0|2,0,0]=4 14516 B12R1.437 CC(C)C1C(=O)NCCN1CF 269982a_100000751287_100015361967 [0,1,0,1,0,0|2,0,0]=4 14517 B12R1.437 CC(C)C1C(=O)NCCN1CF 34a_100000751287_100015361967 [0,1,0,1,0,0|2,0,0]=4 14518 B12R1.437 CCN1CCNC(=O)C1C(C)C 2230a_100000751287_100000210202 [0,1,0,1,0,0|1,0,0]=3 14519 B12R1.437 CCN1CCNC(=O)C1C(C)C 269982a_100000751287_100000204670 [0,1,0,1,0,0|1,0,0]=3 14520 B12R1.437 CCN1CCNC(=O)C1C(C)C 34a_100000751287_100000210202 [0,1,0,1,0,0|1,0,0]=3 14521 B12R1.456 CC1CC(C(=O)O1)OCCCBr 34a_100011217188_200000216747 [0,1,0,1,0,0|2,0,0]=4 14522 B12R1.456 CC1CC(C(=O)O1)OCCCCl 34a_100000230001_200000216747 [0,1,0,1,0,0|2,0,0]=4 14523 B12R1.456 CC1CC(C(=O)O1)OCCCF 34a_100000759539_200000216747 [0,1,0,1,0,0|2,0,0]=4 14524 B12R1.456 CC1CC(C(=O)O1)OCCCN 34a_100000182051_200000216747 [0,1,0,1,0,0|2,0,0]=4 14525 B12R1.456 CCCCNC1CC(OC1=O)C 2230a_100000102301_200000216747 [0,1,0,1,0,0|2,0,0]=4 14526 B12R1.456 CCCCNC1CC(OC1=O)C 7a_106832991798_200000216747 [0,1,0,1,0,0|2,0,0]=4 14527 B12R1.456 CCCCOC1CC(OC1=O)C 34a_100000210227_200000216747 [0,1,0,1,0,0|1,0,0]=3 14528 B12R1.456 CCCCOC1CC(OC1=O)C 7a_100000210227_200000216747 [0,1,0,1,0,0|1,0,0]=3 14529 B12R1.456 CCCCSC1CC(OC1=O)C 62a_100000210211_200000216747 [0,1,0,1,0,0|1,1,0]=4 14530 B12R1.456 CCCCSC1CC(OC1=O)C 62a_200000216747_100000210210 [0,1,0,1,0,0|1,1,0]=4 14531 B12R1.456 COCCOC1CC(OC1=O)C 34a_100000210237_200000216747 [0,1,0,1,0,0|2,0,0]=4 14532 B12R1.456 CSCCOC1CC(OC1=O)C 34a_100000230434_200000216747 [0,1,0,1,0,0|2,0,0]=4 14533 B12R1.456 CSCCOC1CC(OC1=O)C 7a_100000230434_200000216747 [0,1,0,1,0,0|2,0,0]=4 14534 B12R1.563 C#CCCCCC(=O)CC1CC1 1458a_100000696528_100000742324 [0,1,0,1,0,0|1,0,1]=4 14535 B12R1.563 C#CCCCCC(=O)CC1CC1 1458a_100000738066_100010269958 [0,1,0,1,0,0|1,0,1]=4 14536 B12R1.563 C#CCCCNC(=O)CC1CC1 11a_100000718082_100000738066 [0,1,0,1,0,0|1,0,1]=4 14537 B12R1.563 C#CCCCNC(=O)CC1CC1 1626a_100000718082_100000738066 [0,1,0,1,0,0|1,0,1]=4 14538 B12R1.563 C#CCCCNC(=O)CC1CC1 240690a_100000718082_100000738066 [0,1,0,1,0,0|1,0,1]=4 14539 B12R1.563 C#CCCCNC(=O)CC1CC1 527a_100000718082_100000738066 [0,1,0,1,0,0|1,0,1]=4 14540 B12R1.563 C=CCCCCC(=O)CC1CC1 1458a_100000738066_100011215482 [0,1,0,1,0,0|1,0,1]=4 14541 B12R1.563 C=CCCCCC(=O)CC1CC1 1458a_100011215552_100000742324 [0,1,0,1,0,0|1,0,1]=4 14542 B12R1.563 C=CCCCNC(=O)CC1CC1 11a_100000700776_100000738066 [0,1,0,1,0,0|1,0,1]=4 14543 B12R1.563 C=CCCCNC(=O)CC1CC1 1626a_100000700776_100000738066 [0,1,0,1,0,0|1,0,1]=4 14544 B12R1.563 C=CCCCNC(=O)CC1CC1 240690a_100000700776_100000738066 [0,1,0,1,0,0|1,0,1]=4 14545 B12R1.563 C=CCCCNC(=O)CC1CC1 527a_100000700776_100000738066 [0,1,0,1,0,0|1,0,1]=4 14546 B12R1.563 CC/C=C\CCC(=O)CC1CC1 1458a_100000738066_100015370543 [0,1,0,1,0,0|1,0,1]=4 14547 B12R1.563 CCC/C=C/CC(=O)CC1CC1 1458a_200016266809_100000742324 [0,1,0,1,0,0|1,0,1]=4 14548 B12R1.563 CCCCC=CC(=O)CC1CC1 1458a_100016266645_100000742324 [0,1,0,1,0,0|1,0,0]=3 14549 B12R1.563 CCCCC=CC(=O)CC1CO1 1458a_100016266645_100011216344 [0,1,0,1,0,0|2,0,0]=4 14550 B12R1.563 CCCCC=CC(=O)CC1CS1 1458a_100016266645_100000031435 [0,1,0,1,0,0|2,0,0]=4 14551 B12R1.563 CCCCC=CC(=O)C[C@@H]1CO1 1458a_100016266645_100000745022 [0,1,0,1,0,0|2,0,0]=4 14552 B12R1.563 CCCCC=CC(=O)NC1CC1 1626a_100000212008_100016266645 [0,1,0,1,0,0|2,0,0]=4 14553 B12R1.563 CCCCC=CC(=O)NC1CC1 240690a_100000212008_100016266645 [0,1,0,1,0,0|2,0,0]=4 14554 B12R1.563 CCCCCCC(=O)CC1CC1 1458a_100000738066_100000210757 [0,1,0,1,0,0|1,0,0]=3 14555 B12R1.563 CCCCCCC(=O)CC1CC1 1458a_100102632555_100000742324 [0,1,0,1,0,0|1,0,0]=3 14556 B12R1.563 CCCCCCC(=O)CC1CO1 1458a_100102632555_100011216344 [0,1,0,1,0,0|2,0,0]=4 14557 B12R1.563 CCCCCCC(=O)CC1CS1 1458a_100102632555_100000031435 [0,1,0,1,0,0|2,0,0]=4 14558 B12R1.563 CCCCCCC(=O)C[C@@H]1CO1 1458a_100102632555_100000745022 [0,1,0,1,0,0|2,0,0]=4 14559 B12R1.563 CCCCCCC(=O)NC1CC1 1626a_100000212008_100102632555 [0,1,0,1,0,0|2,0,0]=4 14560 B12R1.563 CCCCCCC(=O)NC1CC1 240690a_100000212008_100102632555 [0,1,0,1,0,0|2,0,0]=4 14561 B12R1.563 CCCCCCC(=O)NC1CC1 527a_100000212008_100102632555 [0,1,0,1,0,0|2,0,0]=4 14562 B12R1.563 CCCCCNC(=O)CC1CC1 11a_100000209983_100000738066 [0,1,0,1,0,0|1,0,0]=3 14563 B12R1.563 CCCCCNC(=O)CC1CC1 1626a_100000209983_100000738066 [0,1,0,1,0,0|1,0,0]=3 14564 B12R1.563 CCCCCNC(=O)CC1CC1 240690a_100000209983_100000738066 [0,1,0,1,0,0|1,0,0]=3 14565 B12R1.563 CCCCCNC(=O)CC1CC1 527a_100000209983_100000738066 [0,1,0,1,0,0|1,0,0]=3 14566 B12R1.563 CCCCCNC(=O)NC1CC1 2708a_100000209983_100000212008 [0,1,0,1,0,0|2,0,0]=4 14567 B12R1.563 CCCCCNC(=O)NC1CC1 2708a_100000212008_100000209983 [0,1,0,1,0,0|2,0,0]=4 14568 B12R1.563 CCCCCNC(=O)NC1CC1 273464a_100000209983_100000212008 [0,1,0,1,0,0|2,0,0]=4 14569 B12R1.563 CCCCCNC(=O)NC1CC1 273464a_100000212008_100000209983 [0,1,0,1,0,0|2,0,0]=4 14570 B12R1.563 CCCCCNC(=O)NC1CC1 512a_100000212008_100000209983 [0,1,0,1,0,0|2,0,0]=4 14571 B12R1.563 CCCCNCC(=O)NC1CC1 2230a_100000102301_100000182950 [0,1,0,1,0,0|2,0,0]=4 14572 B12R1.563 CCCCNCC(=O)NC1CC1 2230a_100000702991_100000210211 [0,1,0,1,0,0|2,0,0]=4 14573 B12R1.563 CCCCNCC(=O)NC1CC1 7a_106832991798_100000182950 [0,1,0,1,0,0|2,0,0]=4 14574 B12R1.563 CCCCNN=C(C)CC1CC1 4a_100025702795_200000686933 [0,1,0,1,0,0|2,0,0]=4 14575 B12R1.563 CCCCNNC(=O)CC1CC1 22a_100025702795_100000738066 [0,1,0,1,0,0|1,0,0]=3 14576 B12R1.563 CCCCNNC(=O)NC1CC1 273464a_100000212008_100025702795 [0,1,0,1,0,0|2,0,0]=4 14577 B12R1.563 CCCCNNC(=O)NC1CC1 512a_100000212008_100025702795 [0,1,0,1,0,0|2,0,0]=4 14578 B12R1.563 CCCCOCC(=O)CC1CC1 1458a_100000738066_100011995733 [0,1,0,1,0,0|0,0,0]=2 14579 B12R1.563 CCCCOCC(=O)CC1CC1 1458a_100000757543_100000742324 [0,1,0,1,0,0|0,0,0]=2 14580 B12R1.563 CCCCOCC(=O)CC1CO1 1458a_100000757543_100011216344 [0,1,0,1,0,0|1,0,0]=3 14581 B12R1.563 CCCCOCC(=O)CC1CS1 1458a_100000757543_100000031435 [0,1,0,1,0,0|1,0,0]=3 14582 B12R1.563 CCCCOCC(=O)C[C@@H]1CO1 1458a_100000757543_100000745022 [0,1,0,1,0,0|1,0,0]=3 14583 B12R1.563 CCCCOCC(=O)NC1CC1 1626a_100000212008_100000757543 [0,1,0,1,0,0|1,0,0]=3 14584 B12R1.563 CCCCOCC(=O)NC1CC1 240690a_100000212008_100000757543 [0,1,0,1,0,0|1,0,0]=3 14585 B12R1.563 CCCCOCC(=O)NC1CC1 34a_100000210227_100000182950 [0,1,0,1,0,0|1,0,0]=3 14586 B12R1.563 CCCCOCC(=O)NC1CC1 527a_100000212008_100000757543 [0,1,0,1,0,0|1,0,0]=3 14587 B12R1.563 CCCCOCC(=O)NC1CC1 7a_100000210227_100000182950 [0,1,0,1,0,0|1,0,0]=3 14588 B12R1.563 CCCCOCN(C)CC1CC1 2230a_100000741881_100011995733 [0,1,0,1,0,0|2,0,0]=4 14589 B12R1.563 CCCCOCN(C)CC1CC1 269982a_100000741881_100011995733 [0,1,0,1,0,0|2,0,0]=4 14590 B12R1.563 CCCCSCC(=O)CC1CC1 1458a_100000191162_100000742324 [0,1,0,1,0,0|0,1,0]=3 14591 B12R1.563 CCCCSCC(=O)CC1CO1 1458a_100000191162_100011216344 [0,1,0,1,0,0|1,1,0]=4 14592 B12R1.563 CCCCSCC(=O)CC1CS1 1458a_100000191162_100000031435 [0,1,0,1,0,0|1,1,0]=4 14593 B12R1.563 CCCCSCC(=O)C[C@@H]1CO1 1458a_100000191162_100000745022 [0,1,0,1,0,0|1,1,0]=4 14594 B12R1.563 CCCCSCC(=O)NC1CC1 1626a_100000212008_100000191162 [0,1,0,1,0,0|1,1,0]=4 14595 B12R1.563 CCCCSCC(=O)NC1CC1 240690a_100000212008_100000191162 [0,1,0,1,0,0|1,1,0]=4 14596 B12R1.563 CCCCSCC(=O)NC1CC1 527a_100000212008_100000191162 [0,1,0,1,0,0|1,1,0]=4 14597 B12R1.563 CCCCSCC(=O)NC1CC1 62a_100000182950_100000210210 [0,1,0,1,0,0|1,1,0]=4 14598 B12R1.563 CCCCSCC(=O)NC1CC1 62a_100000210211_100000182950 [0,1,0,1,0,0|1,1,0]=4 14599 B12R1.563 CCCOCCC(=O)CC1CC1 1458a_100000738066_100011215938 [0,1,0,1,0,0|1,0,0]=3 14600 B12R1.563 CCCOCCC(=O)NC1CC1 34a_100000210258_100000737409 [0,1,0,1,0,0|2,0,0]=4 14601 B12R1.563 CCCSCCC(=O)NC1CC1 62a_100000210303_100000737409 [0,1,0,1,0,0|2,0,0]=4 14602 B12R1.563 CCCSCCC(=O)NC1CC1 62a_100000737409_100000210303 [0,1,0,1,0,0|2,0,0]=4 14603 B12R1.563 CCOCCCC(=O)CC1CC1 1458a_100000738066_100012232248 [0,1,0,1,0,0|1,0,0]=3 14604 B12R1.563 CCOCCNC(=O)CC1CC1 11a_100011200944_100000738066 [0,1,0,1,0,0|1,0,0]=3 14605 B12R1.563 CCOCCNC(=O)CC1CC1 1626a_102516460346_100000738066 [0,1,0,1,0,0|1,0,0]=3 14606 B12R1.563 CCOCCNC(=O)CC1CC1 240690a_100011200944_100000738066 [0,1,0,1,0,0|1,0,0]=3 14607 B12R1.563 CCOCCNC(=O)CC1CC1 527a_100011200944_100000738066 [0,1,0,1,0,0|1,0,0]=3 14608 B12R1.563 CCOCCNC(=O)NC1CC1 2708a_100000212008_100011200944 [0,1,0,1,0,0|2,0,0]=4 14609 B12R1.563 CCOCCNC(=O)NC1CC1 2708a_100011200944_100000212008 [0,1,0,1,0,0|2,0,0]=4 14610 B12R1.563 CCOCCNC(=O)NC1CC1 273464a_100000212008_102516460346 [0,1,0,1,0,0|2,0,0]=4 14611 B12R1.563 CCOCCNC(=O)NC1CC1 273464a_102516460346_100000212008 [0,1,0,1,0,0|2,0,0]=4 14612 B12R1.563 CCOCCNC(=O)NC1CC1 512a_100000212008_100011200944 [0,1,0,1,0,0|2,0,0]=4 14613 B12R1.563 CCSCCNC(=O)CC1CC1 11a_100000106463_100000738066 [0,1,0,1,0,0|1,0,0]=3 14614 B12R1.563 CCSCCNC(=O)CC1CC1 1626a_100000106463_100000738066 [0,1,0,1,0,0|1,0,0]=3 14615 B12R1.563 CCSCCNC(=O)CC1CC1 240690a_100000106463_100000738066 [0,1,0,1,0,0|1,0,0]=3 14616 B12R1.563 CCSCCNC(=O)CC1CC1 527a_100000106463_100000738066 [0,1,0,1,0,0|1,0,0]=3 14617 B12R1.563 CCSCCNC(=O)NC1CC1 2708a_100000106463_100000212008 [0,1,0,1,0,0|2,0,0]=4 14618 B12R1.563 CCSCCNC(=O)NC1CC1 2708a_100000212008_100000106463 [0,1,0,1,0,0|2,0,0]=4 14619 B12R1.563 CCSCCNC(=O)NC1CC1 273464a_100000106463_100000212008 [0,1,0,1,0,0|2,0,0]=4 14620 B12R1.563 CCSCCNC(=O)NC1CC1 273464a_100000212008_100000106463 [0,1,0,1,0,0|2,0,0]=4 14621 B12R1.563 CCSCCNC(=O)NC1CC1 512a_100000212008_100000106463 [0,1,0,1,0,0|2,0,0]=4 14622 B12R1.563 COCCCCC(=O)CC1CC1 1458a_100000738066_100000755781 [0,1,0,1,0,0|1,0,0]=3 14623 B12R1.563 COCCCNC(=O)CC1CC1 1626a_100150723488_100000738066 [0,1,0,1,0,0|1,0,0]=3 14624 B12R1.563 COCCCNC(=O)CC1CC1 240690a_100150723488_100000738066 [0,1,0,1,0,0|1,0,0]=3 14625 B12R1.563 COCCCNC(=O)CC1CC1 527a_100150723488_100000738066 [0,1,0,1,0,0|1,0,0]=3 14626 B12R1.563 COCCCNC(=O)NC1CC1 2708a_100000212008_100150723488 [0,1,0,1,0,0|2,0,0]=4 14627 B12R1.563 COCCCNC(=O)NC1CC1 2708a_100150723488_100000212008 [0,1,0,1,0,0|2,0,0]=4 14628 B12R1.563 COCCCNC(=O)NC1CC1 273464a_100000212008_100150723488 [0,1,0,1,0,0|2,0,0]=4 14629 B12R1.563 COCCCNC(=O)NC1CC1 273464a_100150723488_100000212008 [0,1,0,1,0,0|2,0,0]=4 14630 B12R1.563 COCCCNC(=O)NC1CC1 512a_100000212008_100150723488 [0,1,0,1,0,0|2,0,0]=4 14631 B12R1.563 COCCNNC(=O)CC1CC1 22a_100000741390_100000738066 [0,1,0,1,0,0|2,0,0]=4 14632 B12R1.563 COCCOCC(=O)CC1CC1 1458a_100000211095_100000742324 [0,1,0,1,0,0|1,0,0]=3 14633 B12R1.563 COCCOCC(=O)CC1CO1 1458a_100000211095_100011216344 [0,1,0,1,0,0|2,0,0]=4 14634 B12R1.563 COCCOCC(=O)CC1CS1 1458a_100000211095_100000031435 [0,1,0,1,0,0|2,0,0]=4 14635 B12R1.563 COCCOCC(=O)C[C@@H]1CO1 1458a_100000211095_100000745022 [0,1,0,1,0,0|2,0,0]=4 14636 B12R1.563 COCCOCC(=O)NC1CC1 1626a_100000212008_100000211095 [0,1,0,1,0,0|2,0,0]=4 14637 B12R1.563 COCCOCC(=O)NC1CC1 240690a_100000212008_100000211095 [0,1,0,1,0,0|2,0,0]=4 14638 B12R1.563 COCCOCC(=O)NC1CC1 34a_100000210237_100000182950 [0,1,0,1,0,0|2,0,0]=4 14639 B12R1.563 COCCOCC(=O)NC1CC1 527a_100000212008_100000211095 [0,1,0,1,0,0|2,0,0]=4 14640 B12R1.563 CSCCCNC(=O)CC1CC1 11a_100000749238_100000738066 [0,1,0,1,0,0|1,0,0]=3 14641 B12R1.563 CSCCCNC(=O)CC1CC1 1626a_100000749238_100000738066 [0,1,0,1,0,0|1,0,0]=3 14642 B12R1.563 CSCCCNC(=O)CC1CC1 240690a_100000749238_100000738066 [0,1,0,1,0,0|1,0,0]=3 14643 B12R1.563 CSCCCNC(=O)CC1CC1 527a_100000749238_100000738066 [0,1,0,1,0,0|1,0,0]=3 14644 B12R1.563 CSCCCNC(=O)NC1CC1 2708a_100000212008_100000749238 [0,1,0,1,0,0|2,0,0]=4 14645 B12R1.563 CSCCCNC(=O)NC1CC1 2708a_100000749238_100000212008 [0,1,0,1,0,0|2,0,0]=4 14646 B12R1.563 CSCCCNC(=O)NC1CC1 273464a_100000212008_100000749238 [0,1,0,1,0,0|2,0,0]=4 14647 B12R1.563 CSCCCNC(=O)NC1CC1 273464a_100000749238_100000212008 [0,1,0,1,0,0|2,0,0]=4 14648 B12R1.563 CSCCCNC(=O)NC1CC1 512a_100000212008_100000749238 [0,1,0,1,0,0|2,0,0]=4 14649 B12R1.563 CSCCOCC(=O)NC1CC1 34a_100000230434_100000182950 [0,1,0,1,0,0|2,0,0]=4 14650 B12R1.563 CSCCOCC(=O)NC1CC1 7a_100000230434_100000182950 [0,1,0,1,0,0|2,0,0]=4 14651 B12R1.563 N#CCCCCC(=O)CC1CC1 1458a_100000738066_100000211819 [0,1,0,1,0,0|1,0,1]=4 14652 B12R1.563 NCCCOCC(=O)NC1CC1 34a_100000182051_100000182950 [0,1,0,1,0,0|2,0,0]=4 14653 B12R1.563 O=C(CC1CC1)NCCCCO 240690a_100000750430_100000738066 [0,1,0,1,0,0|1,0,0]=3 14654 B12R1.563 O=C(CC1CC1)NCCCCO 527a_100000750430_100000738066 [0,1,0,1,0,0|1,0,0]=3 14655 B12R1.563 O=C(CCCCCF)CC1CC1 1458a_100000738066_100000729378 [0,1,0,1,0,0|1,0,0]=3 14656 B12R1.563 O=C(CCCCCO)CC1CC1 1458a_100000738066_100000746330 [0,1,0,1,0,0|1,0,0]=3 14657 B12R1.563 O=C(CCCCCO)CC1CC1 1458a_100102619762_100000742324 [0,1,0,1,0,0|1,0,0]=3 14658 B12R1.563 O=C(CCCCCO)CC1CO1 1458a_100102619762_100011216344 [0,1,0,1,0,0|2,0,0]=4 14659 B12R1.563 O=C(CCCCCO)CC1CS1 1458a_100102619762_100000031435 [0,1,0,1,0,0|2,0,0]=4 14660 B12R1.563 O=C(CCCCCO)C[C@@H]1CO1 1458a_100102619762_100000745022 [0,1,0,1,0,0|2,0,0]=4 14661 B12R1.563 O=C(CCCCCO)NC1CC1 240690a_100000212008_100102619762 [0,1,0,1,0,0|2,0,0]=4 14662 B12R1.563 O=C(CCOCCO)CC1CC1 1458a_100000738066_100011215305 [0,1,0,1,0,0|2,0,0]=4 14663 B12R1.563 O=C(CCOCCO)CC1CC1 1458a_100011229844_100000742324 [0,1,0,1,0,0|2,0,0]=4 14664 B12R1.563 O=C(COCCCBr)NC1CC1 34a_100011217188_100000182950 [0,1,0,1,0,0|2,0,0]=4 14665 B12R1.563 O=C(COCCCCl)NC1CC1 34a_100000230001_100000182950 [0,1,0,1,0,0|2,0,0]=4 14666 B12R1.563 O=C(COCCCF)NC1CC1 34a_100000759539_100000182950 [0,1,0,1,0,0|2,0,0]=4 14667 B12R1.563 O=C(NCCCCO)NC1CC1 2708a_100000212008_100000750430 [0,1,0,1,0,0|2,0,0]=4 14668 B12R1.563 O=C(NCCCCO)NC1CC1 2708a_100000750430_100000212008 [0,1,0,1,0,0|2,0,0]=4 14669 B12R1.563 O=C(NCCCCO)NC1CC1 273464a_100000212008_100000750430 [0,1,0,1,0,0|2,0,0]=4 14670 B12R1.563 O=C(NCCCCO)NC1CC1 273464a_100000750430_100000212008 [0,1,0,1,0,0|2,0,0]=4 14671 B12R1.563 O=C(NCCCCO)NC1CC1 512a_100000212008_100000750430 [0,1,0,1,0,0|2,0,0]=4 14672 B12R1.1376 CC(C)CC(=O)NCC1CCC1 11a_100000738700_100000210554 [0,1,0,1,0,0|1,0,0]=3 14673 B12R1.1376 CC(C)CC(=O)NCC1CCC1 1626a_100000738700_100000210554 [0,1,0,1,0,0|1,0,0]=3 14674 B12R1.1376 CC(C)CC(=O)NCC1CCC1 240690a_100000738700_100000210554 [0,1,0,1,0,0|1,0,0]=3 14675 B12R1.1376 CC(C)CC(=O)NCC1CCC1 527a_100000738700_100000210554 [0,1,0,1,0,0|1,0,0]=3 14676 B12R1.1376 CC(C)CC(=O)NCC1COC1 11a_100015281925_100000210554 [0,1,0,1,0,0|1,0,0]=3 14677 B12R1.1376 CC(C)CC(=O)NCC1COC1 1626a_100015281925_100000210554 [0,1,0,1,0,0|1,0,0]=3 14678 B12R1.1376 CC(C)CC(=O)NCC1COC1 240690a_100015281925_100000210554 [0,1,0,1,0,0|1,0,0]=3 14679 B12R1.1376 CC(C)CC(=O)NCC1COC1 527a_100015281925_100000210554 [0,1,0,1,0,0|1,0,0]=3 14680 B12R1.1376 CC(C)CC(=O)NC[C@@H]1CCO1 11a_100020831831_100000210554 [0,1,0,1,0,0|1,0,0]=3 14681 B12R1.1376 CC(C)CC(=O)NC[C@@H]1CCO1 1626a_100020831831_100000210554 [0,1,0,1,0,0|1,0,0]=3 14682 B12R1.1376 CC(C)CC(=O)NC[C@@H]1CCO1 240690a_100020831831_100000210554 [0,1,0,1,0,0|1,0,0]=3 14683 B12R1.1376 CC(C)CC(=O)NC[C@@H]1CCO1 527a_100020831831_100000210554 [0,1,0,1,0,0|1,0,0]=3 14684 B12R1.1376 CC(C)CC(=O)NN=C1CCC1 4a_100000189787_100000241760 [0,1,0,1,0,0|1,0,1]=4 14685 B12R1.1376 CC(C)CC(=O)NNC1CCC1 22a_100000736358_100000210554 [0,1,0,1,0,0|1,0,0]=3 14686 B12R1.1376 CC(C)CC(=O)NNC1COC1 22a_100015188821_100000210554 [0,1,0,1,0,0|2,0,0]=4 14687 B12R1.1376 CC(C)CC(C)OCC1CCC1 34a_100000211805_100000763275 [0,1,0,1,0,0|1,0,1]=4 14688 B12R1.1376 CC(C)CC(C)OCC1CCC1 34a_100000760304_100000731052 [0,1,0,1,0,0|1,0,1]=4 14689 B12R1.1376 CC(C)CC(C)OCC1CCC1 7a_100000211805_100000763275 [0,1,0,1,0,0|1,0,1]=4 14690 B12R1.1376 CC(C)CC(C)OCC1CCO1 34a_100000039022_100000731052 [0,1,0,1,0,0|1,0,1]=4 14691 B12R1.1376 CC(C)CC(C)OCC1CCO1 34a_100000211805_100000103362 [0,1,0,1,0,0|1,0,1]=4 14692 B12R1.1376 CC(C)CC(C)OCC1CCO1 7a_100000211805_100000103362 [0,1,0,1,0,0|1,0,1]=4 14693 B12R1.1376 CC(C)CC(C)OCC1CNC1 34a_100016987283_100000731052 [0,1,0,1,0,0|1,0,1]=4 14694 B12R1.1376 CC(C)CC(C)OCC1COC1 34a_100000060846_100000731052 [0,1,0,1,0,0|1,0,1]=4 14695 B12R1.1376 CC(C)CC(C)OCC1COC1 34a_100000211805_100010264016 [0,1,0,1,0,0|1,0,1]=4 14696 B12R1.1376 CC(C)CC(C)OCC1COC1 7a_100000211805_100010264016 [0,1,0,1,0,0|1,0,1]=4 14697 B12R1.1376 CC(C)C[C@H](N)COC1CCC1 34a_100011830311_100000749161 [0,1,0,1,0,0|1,0,1]=4 14698 B12R1.1376 CC(C)NC(=O)CCN1CCC1 269982a_100000754969_100000737564 [0,1,0,1,0,0|2,0,0]=4 14699 B12R1.1376 CC(C)NC(=O)CNC1CCC1 2230a_100000749019_100000183996 [0,1,0,1,0,0|2,0,0]=4 14700 B12R1.1376 CC(C)NC(=O)CNC1CCC1 270004a_100000168517_100000241760 [0,1,0,1,0,0|2,0,0]=4 14701 B12R1.1376 CC(C)NC(=O)CNC1CCC1 34a_100000749019_100000183996 [0,1,0,1,0,0|2,0,0]=4 14702 B12R1.1376 CC(C)NC(=O)COC1CCC1 34a_100000748187_100000183996 [0,1,0,1,0,0|1,0,0]=3 14703 B12R1.1376 CC(C)NC(=O)COC1CSC1 7a_100000072292_100000183996 [0,1,0,1,0,0|2,0,0]=4 14704 B12R1.1376 CC(C)NC(=O)CSC1CCC1 62a_100000183996_100000749161 [0,1,0,1,0,0|1,1,0]=4 14705 B12R1.1376 CC(C)NC(=O)NCC1CCC1 2708a_100000738700_100138425928 [0,1,0,1,0,0|2,0,0]=4 14706 B12R1.1376 CC(C)NC(=O)NCC1CCC1 2708a_100138425928_100000738700 [0,1,0,1,0,0|2,0,0]=4 14707 B12R1.1376 CC(C)NC(=O)NCC1CCC1 273464a_100138425928_100000738700 [0,1,0,1,0,0|2,0,0]=4 14708 B12R1.1376 CC(C)NC(=O)NCC1CCC1 512a_100000738700_100138425928 [0,1,0,1,0,0|2,0,0]=4 14709 B12R1.1376 CC(C)NC(=O)NCC1CCC1 512a_100138425928_100000738700 [0,1,0,1,0,0|2,0,0]=4 14710 B12R1.1376 CC(C)NC(=O)NCC1COC1 2708a_100015281925_100138425928 [0,1,0,1,0,0|2,0,0]=4 14711 B12R1.1376 CC(C)NC(=O)NCC1COC1 2708a_100138425928_100015281925 [0,1,0,1,0,0|2,0,0]=4 14712 B12R1.1376 CC(C)NC(=O)NCC1COC1 273464a_100138425928_100015281925 [0,1,0,1,0,0|2,0,0]=4 14713 B12R1.1376 CC(C)NC(=O)NCC1COC1 512a_100015281925_100138425928 [0,1,0,1,0,0|2,0,0]=4 14714 B12R1.1376 CC(C)NC(=O)NCC1COC1 512a_100138425928_100015281925 [0,1,0,1,0,0|2,0,0]=4 14715 B12R1.1376 CC(C)NC(=O)NC[C@@H]1CCO1 2708a_100020831831_100138425928 [0,1,0,1,0,0|2,0,0]=4 14716 B12R1.1376 CC(C)NC(=O)NC[C@@H]1CCO1 2708a_100138425928_100020831831 [0,1,0,1,0,0|2,0,0]=4 14717 B12R1.1376 CC(C)NC(=O)NC[C@@H]1CCO1 273464a_100138425928_100020831831 [0,1,0,1,0,0|2,0,0]=4 14718 B12R1.1376 CC(C)NC(=O)NC[C@@H]1CCO1 512a_100020831831_100138425928 [0,1,0,1,0,0|2,0,0]=4 14719 B12R1.1376 CC(C)NC(=O)NC[C@@H]1CCO1 512a_100138425928_100020831831 [0,1,0,1,0,0|2,0,0]=4 14720 B12R1.1376 CC(C)NC(=O)NNC1CCC1 273464a_100138425928_100000736358 [0,1,0,1,0,0|2,0,0]=4 14721 B12R1.1376 CC(C)NC(=O)NNC1CCC1 512a_100000736358_100138425928 [0,1,0,1,0,0|2,0,0]=4 14722 B12R1.1376 CC(C)NC(=O)NNC1CCC1 512a_100138425928_100000736358 [0,1,0,1,0,0|2,0,0]=4 14723 B12R1.1376 CC(C)OC(=O)CCN1CCC1 269982a_100000754969_100000760027 [0,1,0,1,0,0|2,0,0]=4 14724 B12R1.1376 CC(C)OC(=O)CNC1CCC1 2230a_100000749019_100011215430 [0,1,0,1,0,0|2,0,0]=4 14725 B12R1.1376 CC(C)OC(=O)CNC1CCC1 34a_100000749019_100011215430 [0,1,0,1,0,0|2,0,0]=4 14726 B12R1.1376 CC(C)OC(=O)COC1CCC1 34a_100000748187_100011215430 [0,1,0,1,0,0|1,0,0]=3 14727 B12R1.1376 CC(C)OC(=O)COC1CSC1 7a_100000072292_100011215430 [0,1,0,1,0,0|2,0,0]=4 14728 B12R1.1376 CC(C)OC(=O)CSC1CCC1 62a_100011215430_100000749161 [0,1,0,1,0,0|1,1,0]=4 14729 B12R1.1376 CC(C)OC(=O)OCN1CCC1 269982a_100000754969_100010125566 [0,1,0,1,0,0|1,0,0]=3 14730 B12R1.1376 CN(C)CC(=O)NCC1CCC1 11a_100000738700_100000750896 [0,1,0,1,0,0|2,0,0]=4 14731 B12R1.1376 CN(C)CC(=O)NCC1CCC1 240690a_100000738700_100000750896 [0,1,0,1,0,0|2,0,0]=4 14732 B12R1.1376 CN(C)CC(=O)NCC1CCC1 527a_100000738700_100000750896 [0,1,0,1,0,0|2,0,0]=4 14733 B12R1.1376 CN(C)CC(=O)NCC1COC1 11a_100015281925_100000750896 [0,1,0,1,0,0|2,0,0]=4 14734 B12R1.1376 CN(C)CC(=O)NCC1COC1 240690a_100015281925_100000750896 [0,1,0,1,0,0|2,0,0]=4 14735 B12R1.1376 CN(C)CC(=O)NCC1COC1 527a_100015281925_100000750896 [0,1,0,1,0,0|2,0,0]=4 14736 B12R1.1376 CN(C)CC(=O)NC[C@@H]1CCO1 11a_100020831831_100000750896 [0,1,0,1,0,0|2,0,0]=4 14737 B12R1.1376 CN(C)CC(=O)NC[C@@H]1CCO1 240690a_100020831831_100000750896 [0,1,0,1,0,0|2,0,0]=4 14738 B12R1.1376 CN(C)CC(=O)NC[C@@H]1CCO1 527a_100020831831_100000750896 [0,1,0,1,0,0|2,0,0]=4 14739 B12R1.1376 CN(C)CC(=O)NNC1CCC1 22a_100000736358_100000750896 [0,1,0,1,0,0|2,0,0]=4 14740 B12R1.1376 C[C@@H](O)CC(=O)NCC1CCC1 240690a_100000738700_100011933948 [0,1,0,1,0,0|2,0,0]=4 14741 B12R1.1376 C[C@@H](O)CC(=O)NCC1COC1 240690a_100015281925_100011933948 [0,1,0,1,0,0|2,0,0]=4 14742 B12R1.1376 C[C@@H](O)CC(=O)NC[C@@H]1CCO1 240690a_100020831831_100011933948 [0,1,0,1,0,0|2,0,0]=4 14743 B12R1.1376 C[C@@H](O)CC(=O)NNC1CCC1 22a_100000736358_100011933948 [0,1,0,1,0,0|2,0,0]=4 14744 B12R1.1376 C[S+](C)CC(=O)NCC1CCC1 11a_100000738700_200159257847 [0,1,0,1,0,0|2,0,0]=4 14745 B12R1.1376 C[S+](C)CC(=O)NCC1CCC1 1626a_100000738700_200159257847 [0,1,0,1,0,0|2,0,0]=4 14746 B12R1.1376 C[S+](C)CC(=O)NCC1CCC1 240690a_100000738700_200159257847 [0,1,0,1,0,0|2,0,0]=4 14747 B12R1.1376 C[S+](C)CC(=O)NCC1CCC1 527a_100000738700_200159257847 [0,1,0,1,0,0|2,0,0]=4 14748 B12R1.1376 C[S+](C)CC(=O)NCC1COC1 11a_100015281925_200159257847 [0,1,0,1,0,0|2,0,0]=4 14749 B12R1.1376 C[S+](C)CC(=O)NCC1COC1 1626a_100015281925_200159257847 [0,1,0,1,0,0|2,0,0]=4 14750 B12R1.1376 C[S+](C)CC(=O)NCC1COC1 240690a_100015281925_200159257847 [0,1,0,1,0,0|2,0,0]=4 14751 B12R1.1376 C[S+](C)CC(=O)NCC1COC1 527a_100015281925_200159257847 [0,1,0,1,0,0|2,0,0]=4 14752 B12R1.1376 C[S+](C)CC(=O)NC[C@@H]1CCO1 11a_100020831831_200159257847 [0,1,0,1,0,0|2,0,0]=4 14753 B12R1.1376 C[S+](C)CC(=O)NC[C@@H]1CCO1 1626a_100020831831_200159257847 [0,1,0,1,0,0|2,0,0]=4 14754 B12R1.1376 C[S+](C)CC(=O)NC[C@@H]1CCO1 240690a_100020831831_200159257847 [0,1,0,1,0,0|2,0,0]=4 14755 B12R1.1376 C[S+](C)CC(=O)NC[C@@H]1CCO1 527a_100020831831_200159257847 [0,1,0,1,0,0|2,0,0]=4 14756 B12R1.1376 C[S+](C)CC(=O)NNC1CCC1 22a_100000736358_200159257847 [0,1,0,1,0,0|2,0,0]=4 14757 B12R1.1377 CC(C)CC(=O)CC#CC1CC1 1458a_100000210554_100009895102 [0,1,0,1,0,0|1,0,1]=4 14758 B12R1.1377 CC(C)CC(=O)CCCC1CO1 1458a_100000210554_100000733510 [0,1,0,1,0,0|1,0,0]=3 14759 B12R1.1377 CC(C)CC(=O)CSCC1CC1 1458a_200011316215_100000210624 [0,1,0,1,0,0|0,1,0]=3 14760 B12R1.1377 CC(C)CC(=O)NCCC1CC1 1626a_100000764129_100000210554 [0,1,0,1,0,0|1,0,0]=3 14761 B12R1.1377 CC(C)CC(=O)NCCC1CC1 240690a_100000764129_100000210554 [0,1,0,1,0,0|1,0,0]=3 14762 B12R1.1377 CC(C)CC(=O)NCCC1CC1 527a_100000764129_100000210554 [0,1,0,1,0,0|1,0,0]=3 14763 B12R1.1377 CC(C)CC(=O)NN=CC1CC1 4a_100000189787_100000741477 [0,1,0,1,0,0|1,0,1]=4 14764 B12R1.1377 CC(C)CC(=O)NNCC1CC1 22a_100000736359_100000210554 [0,1,0,1,0,0|1,0,0]=3 14765 B12R1.1377 CC(C)CC(C)OCCC1CC1 34a_100000211805_100000694398 [0,1,0,1,0,0|1,0,1]=4 14766 B12R1.1377 CC(C)CC(C)OCCC1CC1 34a_100000754188_100000731052 [0,1,0,1,0,0|1,0,1]=4 14767 B12R1.1377 CC(C)CC(C)OCCC1CC1 7a_100000211805_100000764125 [0,1,0,1,0,0|1,0,1]=4 14768 B12R1.1377 CC(C)CC(C)OCCC1CC1 7a_100000754188_100000731052 [0,1,0,1,0,0|1,0,1]=4 14769 B12R1.1377 CC(C)CC(C)OCCC1CO1 34a_100000211805_100000732470 [0,1,0,1,0,0|1,0,1]=4 14770 B12R1.1377 CC(C)CC(C)OCCC1CO1 7a_100000211805_100000732470 [0,1,0,1,0,0|1,0,1]=4 14771 B12R1.1377 CC(C)CC(C)OCC[C@@H]1CO1 34a_100009820653_100000731052 [0,1,0,1,0,0|1,0,1]=4 14772 B12R1.1377 CC(C)C[C@H](N)COCC1CC1 34a_100011830311_100000742324 [0,1,0,1,0,0|1,0,1]=4 14773 B12R1.1377 CC(C)NC(=O)CCSC1CC1 62a_100000737564_100000211595 [0,1,0,1,0,0|2,0,0]=4 14774 B12R1.1377 CC(C)NC(=O)CNCC1CC1 2230a_100000168517_100000742324 [0,1,0,1,0,0|2,0,0]=4 14775 B12R1.1377 CC(C)NC(=O)CNCC1CC1 2230a_100000735609_100000183996 [0,1,0,1,0,0|2,0,0]=4 14776 B12R1.1377 CC(C)NC(=O)CNCC1CC1 269862a_100000168517_100000741477 [0,1,0,1,0,0|2,0,0]=4 14777 B12R1.1377 CC(C)NC(=O)CNCC1CC1 34a_100000735609_100000183996 [0,1,0,1,0,0|2,0,0]=4 14778 B12R1.1377 CC(C)NC(=O)COCC1CC1 34a_100000211283_100000183996 [0,1,0,1,0,0|1,0,0]=3 14779 B12R1.1377 CC(C)NC(=O)COC[C@@H]1CO1 34a_100000757423_100000183996 [0,1,0,1,0,0|2,0,0]=4 14780 B12R1.1377 CC(C)NC(=O)CSCC1CC1 11a_100138425928_200011316215 [0,1,0,1,0,0|1,1,0]=4 14781 B12R1.1377 CC(C)NC(=O)CSCC1CC1 1626a_100138425928_200011316215 [0,1,0,1,0,0|1,1,0]=4 14782 B12R1.1377 CC(C)NC(=O)CSCC1CC1 240690a_100138425928_200011316215 [0,1,0,1,0,0|1,1,0]=4 14783 B12R1.1377 CC(C)NC(=O)CSCC1CC1 527a_100138425928_200011316215 [0,1,0,1,0,0|1,1,0]=4 14784 B12R1.1377 CC(C)NC(=O)CSCC1CC1 62a_100000183996_100000742324 [0,1,0,1,0,0|1,1,0]=4 14785 B12R1.1377 CC(C)NC(=O)CSCC1CC1 62a_100000756562_100000183996 [0,1,0,1,0,0|1,1,0]=4 14786 B12R1.1377 CC(C)NC(=O)NCCC1CC1 2708a_100000764129_100138425928 [0,1,0,1,0,0|2,0,0]=4 14787 B12R1.1377 CC(C)NC(=O)NCCC1CC1 2708a_100138425928_100000764129 [0,1,0,1,0,0|2,0,0]=4 14788 B12R1.1377 CC(C)NC(=O)NCCC1CC1 273464a_100138425928_100000764129 [0,1,0,1,0,0|2,0,0]=4 14789 B12R1.1377 CC(C)NC(=O)NCCC1CC1 512a_100000764129_100138425928 [0,1,0,1,0,0|2,0,0]=4 14790 B12R1.1377 CC(C)NC(=O)NCCC1CC1 512a_100138425928_100000764129 [0,1,0,1,0,0|2,0,0]=4 14791 B12R1.1377 CC(C)NC(=O)NNCC1CC1 273464a_100138425928_100000736359 [0,1,0,1,0,0|2,0,0]=4 14792 B12R1.1377 CC(C)NC(=O)NNCC1CC1 512a_100000736359_100138425928 [0,1,0,1,0,0|2,0,0]=4 14793 B12R1.1377 CC(C)NC(=O)NNCC1CC1 512a_100138425928_100000736359 [0,1,0,1,0,0|2,0,0]=4 14794 B12R1.1377 CC(C)OC(=O)CCSC1CC1 62a_100000760027_100000211595 [0,1,0,1,0,0|2,0,0]=4 14795 B12R1.1377 CC(C)OC(=O)CNCC1CC1 2230a_100000735609_100011215430 [0,1,0,1,0,0|2,0,0]=4 14796 B12R1.1377 CC(C)OC(=O)CNCC1CC1 34a_100000735609_100011215430 [0,1,0,1,0,0|2,0,0]=4 14797 B12R1.1377 CC(C)OC(=O)COCC1CC1 34a_100000211283_100011215430 [0,1,0,1,0,0|1,0,0]=3 14798 B12R1.1377 CC(C)OC(=O)COC[C@@H]1CO1 34a_100000757423_100011215430 [0,1,0,1,0,0|2,0,0]=4 14799 B12R1.1377 CC(C)OC(=O)CSCC1CC1 62a_100000756562_100011215430 [0,1,0,1,0,0|1,1,0]=4 14800 B12R1.1377 CC(C)OC(=O)CSCC1CC1 62a_100011215430_100000742324 [0,1,0,1,0,0|1,1,0]=4 14801 B12R1.1377 CC(C)OC(=O)OCSC1CC1 62a_100000003507_100000211595 [0,1,0,1,0,0|1,0,0]=3 14802 B12R1.1377 CC(O)CC(=O)CSCC1CC1 1458a_200011316215_100011218427 [0,1,0,1,0,0|1,1,0]=4 14803 B12R1.1377 CN(C)CC(=O)CCCC1CO1 1458a_100000750896_100000733510 [0,1,0,1,0,0|2,0,0]=4 14804 B12R1.1377 CN(C)CC(=O)NCCC1CC1 240690a_100000764129_100000750896 [0,1,0,1,0,0|2,0,0]=4 14805 B12R1.1377 CN(C)CC(=O)NCCC1CC1 527a_100000764129_100000750896 [0,1,0,1,0,0|2,0,0]=4 14806 B12R1.1377 CN(C)CC(=O)NNCC1CC1 22a_100000736359_100000750896 [0,1,0,1,0,0|2,0,0]=4 14807 B12R1.1377 C[C@@H](O)CC(=O)CCCC1CO1 1458a_100011933948_100000733510 [0,1,0,1,0,0|2,0,0]=4 14808 B12R1.1377 C[C@@H](O)CC(=O)NCCC1CC1 240690a_100000764129_100011933948 [0,1,0,1,0,0|2,0,0]=4 14809 B12R1.1377 C[C@@H](O)CC(=O)NNCC1CC1 22a_100000736359_100011933948 [0,1,0,1,0,0|2,0,0]=4 14810 B12R1.1377 C[S+](C)CC(=O)CCCC1CO1 1458a_200159257847_100000733510 [0,1,0,1,0,0|2,0,0]=4 14811 B12R1.1377 C[S+](C)CC(=O)NCCC1CC1 1626a_100000764129_200159257847 [0,1,0,1,0,0|2,0,0]=4 14812 B12R1.1377 C[S+](C)CC(=O)NCCC1CC1 240690a_100000764129_200159257847 [0,1,0,1,0,0|2,0,0]=4 14813 B12R1.1377 C[S+](C)CC(=O)NCCC1CC1 527a_100000764129_200159257847 [0,1,0,1,0,0|2,0,0]=4 14814 B12R1.1377 C[S+](C)CC(=O)NNCC1CC1 22a_100000736359_200159257847 [0,1,0,1,0,0|2,0,0]=4 14815 B12R1.1760 CCCCOCN1CC(C1)(C)C 2230a_100000753659_100011995733 [0,1,0,1,0,0|2,0,0]=4 14816 B12R1.1760 CCCCOCN1CC(C1)(C)C 269982a_100000753659_100011995733 [0,1,0,1,0,0|2,0,0]=4 14817 B12R1.2563 C#CCCCCC(=O)C1CC1C 1458a_100000211227_100010269958 [0,1,0,1,0,0|1,0,1]=4 14818 B12R1.2563 C#CCCCNC(=O)C1CC1C 11a_100000718082_100000211227 [0,1,0,1,0,0|1,0,1]=4 14819 B12R1.2563 C#CCCCNC(=O)C1CC1C 1626a_100000718082_100000211227 [0,1,0,1,0,0|1,0,1]=4 14820 B12R1.2563 C#CCCCNC(=O)C1CC1C 527a_100000718082_100000211227 [0,1,0,1,0,0|1,0,1]=4 14821 B12R1.2563 C=CCCCCC(=O)C1CC1C 1458a_100000211227_100011215482 [0,1,0,1,0,0|1,0,1]=4 14822 B12R1.2563 C=CCCCNC(=O)C1CC1C 11a_100000700776_100000211227 [0,1,0,1,0,0|1,0,1]=4 14823 B12R1.2563 C=CCCCNC(=O)C1CC1C 1626a_100000700776_100000211227 [0,1,0,1,0,0|1,0,1]=4 14824 B12R1.2563 C=CCCCNC(=O)C1CC1C 527a_100000700776_100000211227 [0,1,0,1,0,0|1,0,1]=4 14825 B12R1.2563 CC/C=C\CCC(=O)C1CC1C 1458a_100000211227_100015370543 [0,1,0,1,0,0|1,0,1]=4 14826 B12R1.2563 CC1CC1C(=O)CCCCC#N 1458a_100000211227_100000211819 [0,1,0,1,0,0|1,0,1]=4 14827 B12R1.2563 CC1CC1C(=O)CCCCCF 1458a_100000211227_100000729378 [0,1,0,1,0,0|1,0,0]=3 14828 B12R1.2563 CC1CC1C(=O)CCCCCO 1458a_100000211227_100000746330 [0,1,0,1,0,0|1,0,0]=3 14829 B12R1.2563 CC1CC1C(=O)CCOCCO 1458a_100000211227_100011215305 [0,1,0,1,0,0|2,0,0]=4 14830 B12R1.2563 CC1CC1C(=O)NCCCCO 527a_100000750430_100000211227 [0,1,0,1,0,0|1,0,0]=3 14831 B12R1.2563 CCCC=NNC(=O)C1CC1C 4a_100000189827_100000185831 [0,1,0,1,0,0|1,0,1]=4 14832 B12R1.2563 CCCCCCC(=O)C1CC1C 1458a_100000211227_100000210757 [0,1,0,1,0,0|1,0,0]=3 14833 B12R1.2563 CCCCCCC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100000210757 [0,1,0,1,0,0|2,0,0]=4 14834 B12R1.2563 CCCCCNC(=O)C1CC1C 11a_100000209983_100000211227 [0,1,0,1,0,0|1,0,0]=3 14835 B12R1.2563 CCCCCNC(=O)C1CC1C 1626a_100000209983_100000211227 [0,1,0,1,0,0|1,0,0]=3 14836 B12R1.2563 CCCCCNC(=O)C1CC1C 527a_100000209983_100000211227 [0,1,0,1,0,0|1,0,0]=3 14837 B12R1.2563 CCCCCNC(=O)[C@@H]1C[C@@H]1F 11a_100000209983_100015396687 [0,1,0,1,0,0|2,0,0]=4 14838 B12R1.2563 CCCCCNC(=O)[C@@H]1C[C@@H]1F 240690a_100000209983_100015396687 [0,1,0,1,0,0|2,0,0]=4 14839 B12R1.2563 CCCCCNC(=O)[C@@H]1C[C@@H]1F 527a_100000209983_100015396687 [0,1,0,1,0,0|2,0,0]=4 14840 B12R1.2563 CCCCNNC(=O)C1CC1C 22a_100025702795_100000211227 [0,1,0,1,0,0|1,0,0]=3 14841 B12R1.2563 CCCCNNC(=O)[C@@H]1C[C@@H]1F 22a_100025702795_100015396687 [0,1,0,1,0,0|2,0,0]=4 14842 B12R1.2563 CCCCOCC(=O)C1CC1C 1458a_100000211227_100011995733 [0,1,0,1,0,0|0,0,0]=2 14843 B12R1.2563 CCCCOCC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100011995733 [0,1,0,1,0,0|1,0,0]=3 14844 B12R1.2563 CCCOCCC(=O)C1CC1C 1458a_100000211227_100011215938 [0,1,0,1,0,0|1,0,0]=3 14845 B12R1.2563 CCCOCCC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100011215938 [0,1,0,1,0,0|2,0,0]=4 14846 B12R1.2563 CCOCCCC(=O)C1CC1C 1458a_100000211227_100012232248 [0,1,0,1,0,0|1,0,0]=3 14847 B12R1.2563 CCOCCCC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100012232248 [0,1,0,1,0,0|2,0,0]=4 14848 B12R1.2563 CCOCCNC(=O)C1CC1C 11a_100011200944_100000211227 [0,1,0,1,0,0|1,0,0]=3 14849 B12R1.2563 CCOCCNC(=O)C1CC1C 1626a_102516460346_100000211227 [0,1,0,1,0,0|1,0,0]=3 14850 B12R1.2563 CCOCCNC(=O)C1CC1C 527a_100011200944_100000211227 [0,1,0,1,0,0|1,0,0]=3 14851 B12R1.2563 CCOCCNC(=O)[C@@H]1C[C@@H]1F 11a_100011200944_100015396687 [0,1,0,1,0,0|2,0,0]=4 14852 B12R1.2563 CCOCCNC(=O)[C@@H]1C[C@@H]1F 240690a_100011200944_100015396687 [0,1,0,1,0,0|2,0,0]=4 14853 B12R1.2563 CCOCCNC(=O)[C@@H]1C[C@@H]1F 527a_100011200944_100015396687 [0,1,0,1,0,0|2,0,0]=4 14854 B12R1.2563 CCSCCNC(=O)C1CC1C 11a_100000106463_100000211227 [0,1,0,1,0,0|1,0,0]=3 14855 B12R1.2563 CCSCCNC(=O)C1CC1C 1626a_100000106463_100000211227 [0,1,0,1,0,0|1,0,0]=3 14856 B12R1.2563 CCSCCNC(=O)C1CC1C 527a_100000106463_100000211227 [0,1,0,1,0,0|1,0,0]=3 14857 B12R1.2563 CCSCCNC(=O)[C@@H]1C[C@@H]1F 11a_100000106463_100015396687 [0,1,0,1,0,0|2,0,0]=4 14858 B12R1.2563 CCSCCNC(=O)[C@@H]1C[C@@H]1F 240690a_100000106463_100015396687 [0,1,0,1,0,0|2,0,0]=4 14859 B12R1.2563 CCSCCNC(=O)[C@@H]1C[C@@H]1F 527a_100000106463_100015396687 [0,1,0,1,0,0|2,0,0]=4 14860 B12R1.2563 COCCCCC(=O)C1CC1C 1458a_100000211227_100000755781 [0,1,0,1,0,0|1,0,0]=3 14861 B12R1.2563 COCCCCC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100000755781 [0,1,0,1,0,0|2,0,0]=4 14862 B12R1.2563 COCCCNC(=O)C1CC1C 1626a_100150723488_100000211227 [0,1,0,1,0,0|1,0,0]=3 14863 B12R1.2563 COCCCNC(=O)C1CC1C 527a_100150723488_100000211227 [0,1,0,1,0,0|1,0,0]=3 14864 B12R1.2563 COCCCNC(=O)[C@@H]1C[C@@H]1F 240690a_100150723488_100015396687 [0,1,0,1,0,0|2,0,0]=4 14865 B12R1.2563 COCCCNC(=O)[C@@H]1C[C@@H]1F 527a_100150723488_100015396687 [0,1,0,1,0,0|2,0,0]=4 14866 B12R1.2563 COCCNNC(=O)C1CC1C 22a_100000741390_100000211227 [0,1,0,1,0,0|2,0,0]=4 14867 B12R1.2563 CSCCCNC(=O)C1CC1C 11a_100000749238_100000211227 [0,1,0,1,0,0|1,0,0]=3 14868 B12R1.2563 CSCCCNC(=O)C1CC1C 1626a_100000749238_100000211227 [0,1,0,1,0,0|1,0,0]=3 14869 B12R1.2563 CSCCCNC(=O)C1CC1C 527a_100000749238_100000211227 [0,1,0,1,0,0|1,0,0]=3 14870 B12R1.2563 CSCCCNC(=O)[C@@H]1C[C@@H]1F 11a_100000749238_100015396687 [0,1,0,1,0,0|2,0,0]=4 14871 B12R1.2563 CSCCCNC(=O)[C@@H]1C[C@@H]1F 240690a_100000749238_100015396687 [0,1,0,1,0,0|2,0,0]=4 14872 B12R1.2563 CSCCCNC(=O)[C@@H]1C[C@@H]1F 527a_100000749238_100015396687 [0,1,0,1,0,0|2,0,0]=4 14873 B12R1.2563 O=C(CCCCCF)[C@@H]1C[C@@H]1F 1458a_100015396687_100000729378 [0,1,0,1,0,0|2,0,0]=4 14874 B12R1.2563 O=C(CCCCCO)[C@@H]1C[C@@H]1F 1458a_100015396687_100000746330 [0,1,0,1,0,0|2,0,0]=4 14875 B12R1.2563 O=C(NCCCCO)[C@@H]1C[C@@H]1F 240690a_100000750430_100015396687 [0,1,0,1,0,0|2,0,0]=4 14876 B12R1.2563 O=C(NCCCCO)[C@@H]1C[C@@H]1F 527a_100000750430_100015396687 [0,1,0,1,0,0|2,0,0]=4 14877 B12R1.103 CC(C)CC(=O)C1CCC(C1)O 1458a_100000688591_100000210624 [0,1,0,1,0,0|1,0,0]=3 14878 B12R1.103 CC(C)CC(=O)C1CCN(C1)C 1458a_100000739633_100000210624 [0,1,0,1,0,0|2,0,0]=4 14879 B12R1.103 CC(C)CC(=O)N1CCC(C1)O 240690a_100011215560_100000210554 [0,1,0,1,0,0|1,0,0]=3 14880 B12R1.103 CC(C)CC(=O)N1CCC(C1)O 527a_100011215560_100000210554 [0,1,0,1,0,0|1,0,0]=3 14881 B12R1.103 CC(C)CC(=O)N1CC[C@@H](C1)F 11a_100015203821_100000210554 [0,1,0,1,0,0|1,0,0]=3 14882 B12R1.103 CC(C)CC(=O)N1CC[C@@H](C1)F 1626a_100015203821_100000210554 [0,1,0,1,0,0|1,0,0]=3 14883 B12R1.103 CC(C)CC(=O)N1CC[C@@H](C1)F 240690a_100015203821_100000210554 [0,1,0,1,0,0|1,0,0]=3 14884 B12R1.103 CC(C)CC(=O)N1CC[C@@H](C1)F 527a_100015203821_100000210554 [0,1,0,1,0,0|1,0,0]=3 14885 B12R1.103 CC(C)CC(=O)N1CC[C@H](C1)C 11a_100016987628_100000210554 [0,1,0,1,0,0|1,0,0]=3 14886 B12R1.103 CC(C)CC(=O)N1CC[C@H](C1)C 240690a_100016987628_100000210554 [0,1,0,1,0,0|1,0,0]=3 14887 B12R1.103 CC(C)CC(=O)N1CC[C@H](C1)C 527a_100016987628_100000210554 [0,1,0,1,0,0|1,0,0]=3 14888 B12R1.103 CC(C)NC(=O)C1CCC(C1)O 1626a_100138425928_100000688591 [0,1,0,1,0,0|2,0,0]=4 14889 B12R1.103 CC(C)NC(=O)C1CCC(C1)O 240690a_100138425928_100000688591 [0,1,0,1,0,0|2,0,0]=4 14890 B12R1.103 CC(C)NC(=O)N1CCC(C1)O 2708a_100138425928_100011215560 [0,1,0,1,0,0|2,0,0]=4 14891 B12R1.103 CC(C)NC(=O)N1CCC(C1)O 273464a_100138425928_100011215560 [0,1,0,1,0,0|2,0,0]=4 14892 B12R1.103 CC(C)NC(=O)N1CC[C@@H](C1)F 2708a_100138425928_100015203821 [0,1,0,1,0,0|2,0,0]=4 14893 B12R1.103 CC(C)NC(=O)N1CC[C@@H](C1)F 273464a_100138425928_100015203821 [0,1,0,1,0,0|2,0,0]=4 14894 B12R1.103 CC(C)NC(=O)N1CC[C@H](C1)C 2708a_100138425928_100016987628 [0,1,0,1,0,0|2,0,0]=4 14895 B12R1.103 CC(C)NC(=O)N1CC[C@H](C1)C 273464a_100138425928_100016987628 [0,1,0,1,0,0|2,0,0]=4 14896 B12R1.103 CC(O)CC(=O)C1CCC(C1)O 1458a_100000688591_100011218427 [0,1,0,1,0,0|2,0,0]=4 14897 B12R1.103 CN(C)CC(=O)N1CCC(C1)O 240690a_100011215560_100000750896 [0,1,0,1,0,0|2,0,0]=4 14898 B12R1.103 CN(C)CC(=O)N1CCC(C1)O 527a_100011215560_100000750896 [0,1,0,1,0,0|2,0,0]=4 14899 B12R1.103 CN(C)CC(=O)N1CC[C@@H](C1)F 11a_100015203821_100000750896 [0,1,0,1,0,0|2,0,0]=4 14900 B12R1.103 CN(C)CC(=O)N1CC[C@@H](C1)F 240690a_100015203821_100000750896 [0,1,0,1,0,0|2,0,0]=4 14901 B12R1.103 CN(C)CC(=O)N1CC[C@@H](C1)F 527a_100015203821_100000750896 [0,1,0,1,0,0|2,0,0]=4 14902 B12R1.103 C[C@@H](O)CC(=O)N1CCC(C1)O 240690a_100011215560_100011933948 [0,1,0,1,0,0|2,0,0]=4 14903 B12R1.103 C[C@@H](O)CC(=O)N1CC[C@@H](C1)F 240690a_100015203821_100011933948 [0,1,0,1,0,0|2,0,0]=4 14904 B12R1.103 C[C@@H]1CCN(C1)C(=O)CN(C)C 11a_100016987628_100000750896 [0,1,0,1,0,0|2,0,0]=4 14905 B12R1.103 C[C@@H]1CCN(C1)C(=O)CN(C)C 240690a_100016987628_100000750896 [0,1,0,1,0,0|2,0,0]=4 14906 B12R1.103 C[C@@H]1CCN(C1)C(=O)CN(C)C 527a_100016987628_100000750896 [0,1,0,1,0,0|2,0,0]=4 14907 B12R1.103 C[C@@H]1CCN(C1)C(=O)C[C@@H](C)O 240690a_100016987628_100011933948 [0,1,0,1,0,0|2,0,0]=4 14908 B12R1.103 C[C@@H]1CCN(C1)C(=O)C[S+](C)C 11a_100016987628_200159257847 [0,1,0,1,0,0|2,0,0]=4 14909 B12R1.103 C[C@@H]1CCN(C1)C(=O)C[S+](C)C 240690a_100016987628_200159257847 [0,1,0,1,0,0|2,0,0]=4 14910 B12R1.103 C[C@@H]1CCN(C1)C(=O)C[S+](C)C 527a_100016987628_200159257847 [0,1,0,1,0,0|2,0,0]=4 14911 B12R1.103 C[S+](C)CC(=O)N1CCC(C1)O 240690a_100011215560_200159257847 [0,1,0,1,0,0|2,0,0]=4 14912 B12R1.103 C[S+](C)CC(=O)N1CCC(C1)O 527a_100011215560_200159257847 [0,1,0,1,0,0|2,0,0]=4 14913 B12R1.103 C[S+](C)CC(=O)N1CC[C@@H](C1)F 11a_100015203821_200159257847 [0,1,0,1,0,0|2,0,0]=4 14914 B12R1.103 C[S+](C)CC(=O)N1CC[C@@H](C1)F 1626a_100015203821_200159257847 [0,1,0,1,0,0|2,0,0]=4 14915 B12R1.103 C[S+](C)CC(=O)N1CC[C@@H](C1)F 240690a_100015203821_200159257847 [0,1,0,1,0,0|2,0,0]=4 14916 B12R1.103 C[S+](C)CC(=O)N1CC[C@@H](C1)F 527a_100015203821_200159257847 [0,1,0,1,0,0|2,0,0]=4 14917 B12R1.105 CC(C)CCOC1CCC(C1)C 34a_100000698185_100000210312 [0,1,0,1,0,0|1,0,1]=4 14918 B12R1.105 CC(O)CCOC1CCC(C1)C 34a_100000698185_100012276601 [0,1,0,1,0,0|1,0,1]=4 14919 B12R1.1238 CC(=O)CCCC(=O)C1CC1C 1458a_100000211227_100011215641 [0,1,0,1,0,0|1,0,1]=4 14920 B12R1.1238 CC(=O)CCNC(=O)C1CC1C 1458a_100000195327_200000210301 [0,1,0,1,0,0|1,0,1]=4 14921 B12R1.1238 CC(C)CCCC(=O)C1CC1C 1458a_100000211227_100011214892 [0,1,0,1,0,0|1,0,0]=3 14922 B12R1.1238 CC(C)CCCC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100011214892 [0,1,0,1,0,0|2,0,0]=4 14923 B12R1.1238 CC(C)CCNC(=O)C1CC1C 11a_100000210545_100000211227 [0,1,0,1,0,0|1,0,0]=3 14924 B12R1.1238 CC(C)CCNC(=O)C1CC1C 1626a_100000210545_100000211227 [0,1,0,1,0,0|1,0,0]=3 14925 B12R1.1238 CC(C)CCNC(=O)C1CC1C 527a_100000210545_100000211227 [0,1,0,1,0,0|1,0,0]=3 14926 B12R1.1238 CC(C)CCNC(=O)[C@@H]1C[C@@H]1F 11a_100000210545_100015396687 [0,1,0,1,0,0|2,0,0]=4 14927 B12R1.1238 CC(C)CCNC(=O)[C@@H]1C[C@@H]1F 240690a_100000210545_100015396687 [0,1,0,1,0,0|2,0,0]=4 14928 B12R1.1238 CC(C)CCNC(=O)[C@@H]1C[C@@H]1F 527a_100000210545_100015396687 [0,1,0,1,0,0|2,0,0]=4 14929 B12R1.1238 CC(C)CNNC(=O)C1CC1C 22a_100000696102_100000211227 [0,1,0,1,0,0|2,0,0]=4 14930 B12R1.1238 CC(C)OCCC(=O)C1CC1C 1458a_100000211227_100000211751 [0,1,0,1,0,0|2,0,0]=4 14931 B12R1.1238 CC(C)SCCC(=O)C1CC1C 1458a_100000211227_100000730970 [0,1,0,1,0,0|2,0,0]=4 14932 B12R1.1238 CC(O)CCCC(=O)C1CC1C 1458a_100000211227_200000718107 [0,1,0,1,0,0|1,0,0]=3 14933 B12R1.1238 CC(O)CCCC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_200000718107 [0,1,0,1,0,0|2,0,0]=4 14934 B12R1.1238 CC(O)CCNC(=O)C1CC1C 527a_200000755665_100000211227 [0,1,0,1,0,0|1,0,0]=3 14935 B12R1.1238 CC(O)CCNC(=O)[C@@H]1C[C@@H]1F 240690a_200000755665_100015396687 [0,1,0,1,0,0|2,0,0]=4 14936 B12R1.1238 CC(O)CCNC(=O)[C@@H]1C[C@@H]1F 527a_200000755665_100015396687 [0,1,0,1,0,0|2,0,0]=4 14937 B12R1.1238 CC(O)CNNC(=O)C1CC1C 22a_200000730056_100000211227 [0,1,0,1,0,0|2,0,0]=4 14938 B12R1.1238 CC1CC1C(=O)CCCN(C)C 1458a_100000211227_100000695564 [0,1,0,1,0,0|2,0,0]=4 14939 B12R1.1238 CC1CC1C(=O)NCCC(=O)[13CH3] 1458a_100000195327_200025704644 [0,1,0,1,0,0|1,0,1]=4 14940 B12R1.1238 CC1CC1C(=O)NCCN(C)C 527a_100000210585_100000211227 [0,1,0,1,0,0|2,0,0]=4 14941 B12R1.1359 CC(=O)CCCC(=O)CC1CC1 1458a_100000738066_100011215641 [0,1,0,1,0,0|1,0,1]=4 14942 B12R1.1359 CC(C)CCCC(=O)CC1CC1 1458a_100000738066_100011214892 [0,1,0,1,0,0|1,0,0]=3 14943 B12R1.1359 CC(C)CCCC(=O)CC1CC1 1458a_100011216857_100000742324 [0,1,0,1,0,0|1,0,0]=3 14944 B12R1.1359 CC(C)CCCC(=O)CC1CO1 1458a_100011216857_100011216344 [0,1,0,1,0,0|2,0,0]=4 14945 B12R1.1359 CC(C)CCCC(=O)CC1CS1 1458a_100011216857_100000031435 [0,1,0,1,0,0|2,0,0]=4 14946 B12R1.1359 CC(C)CCCC(=O)C[C@@H]1CO1 1458a_100011216857_100000745022 [0,1,0,1,0,0|2,0,0]=4 14947 B12R1.1359 CC(C)CCCC(=O)NC1CC1 1626a_100000212008_100011216857 [0,1,0,1,0,0|2,0,0]=4 14948 B12R1.1359 CC(C)CCCC(=O)NC1CC1 240690a_100000212008_100011216857 [0,1,0,1,0,0|2,0,0]=4 14949 B12R1.1359 CC(C)CCCC(=O)NC1CC1 527a_100000212008_100011216857 [0,1,0,1,0,0|2,0,0]=4 14950 B12R1.1359 CC(C)CCNC(=O)CC1CC1 11a_100000210545_100000738066 [0,1,0,1,0,0|1,0,0]=3 14951 B12R1.1359 CC(C)CCNC(=O)CC1CC1 1626a_100000210545_100000738066 [0,1,0,1,0,0|1,0,0]=3 14952 B12R1.1359 CC(C)CCNC(=O)CC1CC1 240690a_100000210545_100000738066 [0,1,0,1,0,0|1,0,0]=3 14953 B12R1.1359 CC(C)CCNC(=O)CC1CC1 527a_100000210545_100000738066 [0,1,0,1,0,0|1,0,0]=3 14954 B12R1.1359 CC(C)CCNC(=O)NC1CC1 2708a_100000210545_100000212008 [0,1,0,1,0,0|2,0,0]=4 14955 B12R1.1359 CC(C)CCNC(=O)NC1CC1 2708a_100000212008_100000210545 [0,1,0,1,0,0|2,0,0]=4 14956 B12R1.1359 CC(C)CCNC(=O)NC1CC1 273464a_100000210545_100000212008 [0,1,0,1,0,0|2,0,0]=4 14957 B12R1.1359 CC(C)CCNC(=O)NC1CC1 273464a_100000212008_100000210545 [0,1,0,1,0,0|2,0,0]=4 14958 B12R1.1359 CC(C)CCNC(=O)NC1CC1 512a_100000212008_100000210545 [0,1,0,1,0,0|2,0,0]=4 14959 B12R1.1359 CC(C)CNNC(=O)CC1CC1 22a_100000696102_100000738066 [0,1,0,1,0,0|2,0,0]=4 14960 B12R1.1359 CC(C)COCC(=O)CC1CC1 1458a_100011223364_100000742324 [0,1,0,1,0,0|2,0,0]=4 14961 B12R1.1359 CC(C)OCCC(=O)CC1CC1 1458a_100000738066_100000211751 [0,1,0,1,0,0|2,0,0]=4 14962 B12R1.1359 CC(C)SCCC(=O)CC1CC1 1458a_100000738066_100000730970 [0,1,0,1,0,0|2,0,0]=4 14963 B12R1.1359 CC(O)CCCC(=O)CC1CC1 1458a_100000738066_200000718107 [0,1,0,1,0,0|1,0,0]=3 14964 B12R1.1359 CC(O)CCCC(=O)NC1CC1 1626a_100000212008_100000761597 [0,1,0,1,0,0|2,0,0]=4 14965 B12R1.1359 CC(O)CCCC(=O)NC1CC1 527a_100000212008_100000761597 [0,1,0,1,0,0|2,0,0]=4 14966 B12R1.1359 CC(O)CCNC(=O)CC1CC1 240690a_200000755665_100000738066 [0,1,0,1,0,0|1,0,0]=3 14967 B12R1.1359 CC(O)CCNC(=O)CC1CC1 527a_200000755665_100000738066 [0,1,0,1,0,0|1,0,0]=3 14968 B12R1.1359 CC(O)CCNC(=O)NC1CC1 2708a_100000212008_200000755665 [0,1,0,1,0,0|2,0,0]=4 14969 B12R1.1359 CC(O)CCNC(=O)NC1CC1 273464a_200000755665_100000212008 [0,1,0,1,0,0|2,0,0]=4 14970 B12R1.1359 CC(O)CCNC(=O)NC1CC1 512a_100000212008_200000755665 [0,1,0,1,0,0|2,0,0]=4 14971 B12R1.1359 CC(O)CNNC(=O)CC1CC1 22a_200000730056_100000738066 [0,1,0,1,0,0|2,0,0]=4 14972 B12R1.1359 CN(C)CCCC(=O)CC1CC1 1458a_100000738066_100000695564 [0,1,0,1,0,0|2,0,0]=4 14973 B12R1.1359 CN(C)CCNC(=O)CC1CC1 240690a_100000210585_100000738066 [0,1,0,1,0,0|2,0,0]=4 14974 B12R1.1359 CN(C)CCNC(=O)CC1CC1 527a_100000210585_100000738066 [0,1,0,1,0,0|2,0,0]=4 14975 B12R1.2685 CC(C)CC(=O)CC1CC1(F)F 1458a_100000138109_100000210624 [0,1,0,1,0,0|2,0,0]=4 14976 B12R1.2685 CC(C)CC(=O)CC1CC1(F)F 1458a_100000210554_100009817841 [0,1,0,1,0,0|2,0,0]=4 14977 B12R1.2685 CC(C)CC(=O)NC1CC1(F)F 1626a_100020610826_100000210554 [0,1,0,1,0,0|2,0,0]=4 14978 B12R1.2685 CC(C)CC(=O)NC1CC1(F)F 240690a_100020610826_100000210554 [0,1,0,1,0,0|2,0,0]=4 14979 B12R1.2685 CC(C)CC(=O)NC1CC1(F)F 527a_100020610826_100000210554 [0,1,0,1,0,0|2,0,0]=4 14980 B12R1.428 CC(C)CC(=O)C1CC(C1)CO 1458a_206645079618_100000210624 [0,1,0,1,0,0|2,0,0]=4 14981 B12R1.428 CC(C)CC(=O)N1CC(C1)CF 11a_100010363649_100000210554 [0,1,0,1,0,0|2,0,0]=4 14982 B12R1.428 CC(C)CC(=O)N1CC(C1)CF 240690a_100010363649_100000210554 [0,1,0,1,0,0|2,0,0]=4 14983 B12R1.428 CC(C)CC(=O)N1CC(C1)CF 527a_100010363649_100000210554 [0,1,0,1,0,0|2,0,0]=4 14984 B12R1.428 CC(C)CC(=O)N1CC(C1)CO 240690a_100016987283_100000210554 [0,1,0,1,0,0|2,0,0]=4 14985 B12R1.428 CC(C)CC(=O)N1CC(C1)CO 527a_100016987283_100000210554 [0,1,0,1,0,0|2,0,0]=4 14986 B12R1.428 CCC1CN(C1)C(=O)CC(C)C 11a_100015205115_100000210554 [0,1,0,1,0,0|1,0,0]=3 14987 B12R1.428 CCC1CN(C1)C(=O)CC(C)C 1626a_100015205115_100000210554 [0,1,0,1,0,0|1,0,0]=3 14988 B12R1.428 CCC1CN(C1)C(=O)CC(C)C 240690a_100015205115_100000210554 [0,1,0,1,0,0|1,0,0]=3 14989 B12R1.428 CCC1CN(C1)C(=O)CC(C)C 527a_100015205115_100000210554 [0,1,0,1,0,0|1,0,0]=3 14990 B12R1.428 CCC1CN(C1)C(=O)CN(C)C 11a_100015205115_100000750896 [0,1,0,1,0,0|2,0,0]=4 14991 B12R1.428 CCC1CN(C1)C(=O)CN(C)C 240690a_100015205115_100000750896 [0,1,0,1,0,0|2,0,0]=4 14992 B12R1.428 CCC1CN(C1)C(=O)CN(C)C 527a_100015205115_100000750896 [0,1,0,1,0,0|2,0,0]=4 14993 B12R1.428 CCC1CN(C1)C(=O)C[C@@H](C)O 240690a_100015205115_100011933948 [0,1,0,1,0,0|2,0,0]=4 14994 B12R1.428 CCC1CN(C1)C(=O)C[S+](C)C 11a_100015205115_200159257847 [0,1,0,1,0,0|2,0,0]=4 14995 B12R1.428 CCC1CN(C1)C(=O)C[S+](C)C 1626a_100015205115_200159257847 [0,1,0,1,0,0|2,0,0]=4 14996 B12R1.428 CCC1CN(C1)C(=O)C[S+](C)C 240690a_100015205115_200159257847 [0,1,0,1,0,0|2,0,0]=4 14997 B12R1.428 CCC1CN(C1)C(=O)C[S+](C)C 527a_100015205115_200159257847 [0,1,0,1,0,0|2,0,0]=4 14998 B12R1.428 CCC1CN(C1)C(=O)NC(C)C 2708a_100138425928_100015205115 [0,1,0,1,0,0|2,0,0]=4 14999 B12R1.428 CCC1CN(C1)C(=O)NC(C)C 273464a_100138425928_100015205115 [0,1,0,1,0,0|2,0,0]=4 15000 B12R1.428 COC1CC(C1)C(=O)CC(C)C 1458a_100011999411_100000210624 [0,1,0,1,0,0|2,0,0]=4 15001 B12R1.428 COC1CN(C1)C(=O)CC(C)C 11a_100000755009_100000210554 [0,1,0,1,0,0|2,0,0]=4 15002 B12R1.428 COC1CN(C1)C(=O)CC(C)C 1626a_100000755009_100000210554 [0,1,0,1,0,0|2,0,0]=4 15003 B12R1.428 COC1CN(C1)C(=O)CC(C)C 240690a_100000755009_100000210554 [0,1,0,1,0,0|2,0,0]=4 15004 B12R1.428 COC1CN(C1)C(=O)CC(C)C 527a_100000755009_100000210554 [0,1,0,1,0,0|2,0,0]=4 15005 B12R1.428 CSC1CN(C1)C(=O)CC(C)C 11a_100016990038_100000210554 [0,1,0,1,0,0|2,0,0]=4 15006 B12R1.428 CSC1CN(C1)C(=O)CC(C)C 1626a_100016990038_100000210554 [0,1,0,1,0,0|2,0,0]=4 15007 B12R1.428 CSC1CN(C1)C(=O)CC(C)C 240690a_100016990038_100000210554 [0,1,0,1,0,0|2,0,0]=4 15008 B12R1.428 CSC1CN(C1)C(=O)CC(C)C 527a_100016990038_100000210554 [0,1,0,1,0,0|2,0,0]=4 15009 B12R1.914 CCC/C=C(\C)/C(=O)CC1CC1 1458a_200020648666_100000742324 [0,1,0,1,0,0|1,0,1]=4 15010 B12R1.914 CCCCC(=O)C(=O)NC1CC1 1458a_100000756273_100000210211 [0,1,0,1,0,0|2,0,0]=4 15011 B12R1.914 CCCCC(C)C(=O)CC1CC1 1458a_100000725509_100000742324 [0,1,0,1,0,0|1,0,0]=3 15012 B12R1.914 CCCCC(C)C(=O)CC1CC1 1458a_100000738066_200011215066 [0,1,0,1,0,0|1,0,0]=3 15013 B12R1.914 CCCCC(C)C(=O)CC1CO1 1458a_100000725509_100011216344 [0,1,0,1,0,0|2,0,0]=4 15014 B12R1.914 CCCCC(C)C(=O)CC1CS1 1458a_100000725509_100000031435 [0,1,0,1,0,0|2,0,0]=4 15015 B12R1.914 CCCCC(C)C(=O)C[C@@H]1CO1 1458a_100000725509_100000745022 [0,1,0,1,0,0|2,0,0]=4 15016 B12R1.914 CCCCC(C)C(=O)NC1CC1 1626a_100000212008_100000725509 [0,1,0,1,0,0|2,0,0]=4 15017 B12R1.914 CCCCC(C)C(=O)NC1CC1 240690a_100000212008_100000725509 [0,1,0,1,0,0|2,0,0]=4 15018 B12R1.914 CCCCC(C)C(=O)NC1CC1 527a_100000212008_100000725509 [0,1,0,1,0,0|2,0,0]=4 15019 B12R1.914 CCCCC(O)C(=O)CC1CC1 1458a_100000720857_100000742324 [0,1,0,1,0,0|1,0,0]=3 15020 B12R1.914 CCCCC(O)C(=O)CC1CO1 1458a_100000720857_100011216344 [0,1,0,1,0,0|2,0,0]=4 15021 B12R1.914 CCCCC(O)C(=O)CC1CS1 1458a_100000720857_100000031435 [0,1,0,1,0,0|2,0,0]=4 15022 B12R1.914 CCCCC(O)C(=O)C[C@@H]1CO1 1458a_100000720857_100000745022 [0,1,0,1,0,0|2,0,0]=4 15023 B12R1.914 CCCCC(O)C(=O)NC1CC1 240690a_100000212008_100000720857 [0,1,0,1,0,0|2,0,0]=4 15024 B12R1.914 CCCCC(O)C(=O)NC1CC1 527a_100000212008_100000720857 [0,1,0,1,0,0|2,0,0]=4 15025 B12R1.914 CCCCN(C)C(=O)CC1CC1 11a_100000207549_100000738066 [0,1,0,1,0,0|1,0,0]=3 15026 B12R1.914 CCCCN(C)C(=O)CC1CC1 1626a_100000207549_100000738066 [0,1,0,1,0,0|1,0,0]=3 15027 B12R1.914 CCCCN(C)C(=O)CC1CC1 240690a_100000207549_100000738066 [0,1,0,1,0,0|1,0,0]=3 15028 B12R1.914 CCCCN(C)C(=O)CC1CC1 527a_100000207549_100000738066 [0,1,0,1,0,0|1,0,0]=3 15029 B12R1.914 CCCCN(C)C(=O)NC1CC1 2708a_100000212008_100000207549 [0,1,0,1,0,0|2,0,0]=4 15030 B12R1.914 CCCCN(C)C(=O)NC1CC1 273464a_100000212008_100000207549 [0,1,0,1,0,0|2,0,0]=4 15031 B12R1.914 CCCNC(=O)C(=O)CC1CC1 1458a_200011297150_100000742324 [0,1,0,1,0,0|2,0,0]=4 15032 B12R1.914 CN(CCCO)C(=O)CC1CC1 240690a_100000213112_100000738066 [0,1,0,1,0,0|2,0,0]=4 15033 B12R1.914 CN(CCCO)C(=O)CC1CC1 527a_100000213112_100000738066 [0,1,0,1,0,0|2,0,0]=4 15034 B12R1.914 COCCN(C)C(=O)CC1CC1 11a_100000743101_100000738066 [0,1,0,1,0,0|2,0,0]=4 15035 B12R1.914 COCCN(C)C(=O)CC1CC1 1626a_100000743101_100000738066 [0,1,0,1,0,0|2,0,0]=4 15036 B12R1.914 COCCN(C)C(=O)CC1CC1 240690a_100000743101_100000738066 [0,1,0,1,0,0|2,0,0]=4 15037 B12R1.914 COCCN(C)C(=O)CC1CC1 527a_100000743101_100000738066 [0,1,0,1,0,0|2,0,0]=4 15038 B12R1.914 CSCCC(O)C(=O)CC1CC1 1458a_100000685904_100000742324 [0,1,0,1,0,0|2,0,0]=4 15039 B12R1.914 CSCCN(C)C(=O)CC1CC1 11a_100000686725_100000738066 [0,1,0,1,0,0|2,0,0]=4 15040 B12R1.914 CSCCN(C)C(=O)CC1CC1 1626a_100000686725_100000738066 [0,1,0,1,0,0|2,0,0]=4 15041 B12R1.914 CSCCN(C)C(=O)CC1CC1 240690a_100000686725_100000738066 [0,1,0,1,0,0|2,0,0]=4 15042 B12R1.914 CSCCN(C)C(=O)CC1CC1 527a_100000686725_100000738066 [0,1,0,1,0,0|2,0,0]=4 15043 B12R1.1353 CC(C)CC(=O)N(C)C1CCC1 11a_100000758072_100000210554 [0,1,0,1,0,0|1,0,0]=3 15044 B12R1.1353 CC(C)CC(=O)N(C)C1CCC1 1626a_100000758072_100000210554 [0,1,0,1,0,0|1,0,0]=3 15045 B12R1.1353 CC(C)CC(=O)N(C)C1CCC1 240690a_100000758072_100000210554 [0,1,0,1,0,0|1,0,0]=3 15046 B12R1.1353 CC(C)CC(=O)N(C)C1CCC1 527a_100000758072_100000210554 [0,1,0,1,0,0|1,0,0]=3 15047 B12R1.1353 CC(C)CC(=O)N(C)C1COC1 11a_100102693430_100000210554 [0,1,0,1,0,0|2,0,0]=4 15048 B12R1.1353 CC(C)CC(=O)N(C)C1COC1 1626a_100102693430_100000210554 [0,1,0,1,0,0|2,0,0]=4 15049 B12R1.1353 CC(C)CC(=O)N(C)C1COC1 240690a_100102693430_100000210554 [0,1,0,1,0,0|2,0,0]=4 15050 B12R1.1353 CC(C)CC(=O)N(C)C1COC1 527a_100102693430_100000210554 [0,1,0,1,0,0|2,0,0]=4 15051 B12R1.1353 CC(C)NC(=O)C(=O)C1CCC1 1458a_100011220036_100000749161 [0,1,0,1,0,0|2,0,0]=4 15052 B12R1.1353 CC(C)NC(=O)N(C)C1CCC1 2708a_100138425928_100000758072 [0,1,0,1,0,0|2,0,0]=4 15053 B12R1.1353 CC(C)NC(=O)N(C)C1CCC1 273464a_100138425928_100000758072 [0,1,0,1,0,0|2,0,0]=4 15054 B12R1.1353 CN(C(=O)C[S+](C)C)C1CCC1 11a_100000758072_200159257847 [0,1,0,1,0,0|2,0,0]=4 15055 B12R1.1353 CN(C(=O)C[S+](C)C)C1CCC1 1626a_100000758072_200159257847 [0,1,0,1,0,0|2,0,0]=4 15056 B12R1.1353 CN(C(=O)C[S+](C)C)C1CCC1 240690a_100000758072_200159257847 [0,1,0,1,0,0|2,0,0]=4 15057 B12R1.1353 CN(C(=O)C[S+](C)C)C1CCC1 527a_100000758072_200159257847 [0,1,0,1,0,0|2,0,0]=4 15058 B12R1.1353 CN(C)CC(=O)N(C)C1CCC1 11a_100000758072_100000750896 [0,1,0,1,0,0|2,0,0]=4 15059 B12R1.1353 CN(C)CC(=O)N(C)C1CCC1 240690a_100000758072_100000750896 [0,1,0,1,0,0|2,0,0]=4 15060 B12R1.1353 CN(C)CC(=O)N(C)C1CCC1 527a_100000758072_100000750896 [0,1,0,1,0,0|2,0,0]=4 15061 B12R1.1353 C[C@@H](O)CC(=O)N(C)C1CCC1 240690a_100000758072_100011933948 [0,1,0,1,0,0|2,0,0]=4 15062 B12R1.1355 CC(C)CC(=O)C(=O)NC1CC1 1458a_100000756273_100000210624 [0,1,0,1,0,0|2,0,0]=4 15063 B12R1.1355 CC(C)CC(=O)N(C)CC1CC1 11a_100000741881_100000210554 [0,1,0,1,0,0|1,0,0]=3 15064 B12R1.1355 CC(C)CC(=O)N(C)CC1CC1 1626a_100000741881_100000210554 [0,1,0,1,0,0|1,0,0]=3 15065 B12R1.1355 CC(C)CC(=O)N(C)CC1CC1 240690a_100000741881_100000210554 [0,1,0,1,0,0|1,0,0]=3 15066 B12R1.1355 CC(C)CC(=O)N(C)CC1CC1 527a_100000741881_100000210554 [0,1,0,1,0,0|1,0,0]=3 15067 B12R1.1355 CC(C)NC(=O)C(=O)CC1CC1 1458a_100011220036_100000742324 [0,1,0,1,0,0|2,0,0]=4 15068 B12R1.1355 CC(C)NC(=O)N(C)CC1CC1 2708a_100138425928_100000741881 [0,1,0,1,0,0|2,0,0]=4 15069 B12R1.1355 CC(C)NC(=O)N(C)CC1CC1 273464a_100138425928_100000741881 [0,1,0,1,0,0|2,0,0]=4 15070 B12R1.1355 CN(C)CC(=O)N(C)CC1CC1 11a_100000741881_100000750896 [0,1,0,1,0,0|2,0,0]=4 15071 B12R1.1355 CN(C)CC(=O)N(C)CC1CC1 240690a_100000741881_100000750896 [0,1,0,1,0,0|2,0,0]=4 15072 B12R1.1355 CN(C)CC(=O)N(C)CC1CC1 527a_100000741881_100000750896 [0,1,0,1,0,0|2,0,0]=4 15073 B12R1.1355 CN(CC1CC1)C(=O)C[S+](C)C 11a_100000741881_200159257847 [0,1,0,1,0,0|2,0,0]=4 15074 B12R1.1355 CN(CC1CC1)C(=O)C[S+](C)C 1626a_100000741881_200159257847 [0,1,0,1,0,0|2,0,0]=4 15075 B12R1.1355 CN(CC1CC1)C(=O)C[S+](C)C 240690a_100000741881_200159257847 [0,1,0,1,0,0|2,0,0]=4 15076 B12R1.1355 CN(CC1CC1)C(=O)C[S+](C)C 527a_100000741881_200159257847 [0,1,0,1,0,0|2,0,0]=4 15077 B12R1.1355 C[C@@H](O)CC(=O)N(C)CC1CC1 240690a_100000741881_100011933948 [0,1,0,1,0,0|2,0,0]=4 15078 B12R1.2679 CC(C)CC(=O)C1(CCCC1)C 1458a_100000239728_100000210624 [0,1,0,1,0,0|1,0,0]=3 15079 B12R1.2679 CC(C)CC(=O)C1(CCCC1)O 1458a_100000242637_100000210624 [0,1,0,1,0,0|1,0,0]=3 15080 B12R1.2679 CC(C)CC(=O)C1(CCCO1)C 1458a_100000684770_100000210624 [0,1,0,1,0,0|2,0,0]=4 15081 B12R1.2679 CC(C)NC(=O)C1(CCCC1)C 11a_100138425928_100000239728 [0,1,0,1,0,0|2,0,0]=4 15082 B12R1.2679 CC(C)NC(=O)C1(CCCC1)C 1626a_100138425928_100000239728 [0,1,0,1,0,0|2,0,0]=4 15083 B12R1.2679 CC(C)NC(=O)C1(CCCC1)C 240690a_100138425928_100000239728 [0,1,0,1,0,0|2,0,0]=4 15084 B12R1.2679 CC(C)NC(=O)C1(CCCC1)C 527a_100138425928_100000239728 [0,1,0,1,0,0|2,0,0]=4 15085 B12R1.2679 CC(C)NC(=O)C1(CCCC1)O 240690a_100138425928_100000242637 [0,1,0,1,0,0|2,0,0]=4 15086 B12R1.2679 CC(C)NC(=O)C1(CCCC1)O 527a_100138425928_100000242637 [0,1,0,1,0,0|2,0,0]=4 15087 B12R1.2679 CC(O)CC(=O)C1(CCCC1)C 1458a_100000239728_100011218427 [0,1,0,1,0,0|2,0,0]=4 15088 B12R1.2679 CC(O)CC(=O)C1(CCCC1)O 1458a_100000242637_100011218427 [0,1,0,1,0,0|2,0,0]=4 15089 B12R1.2804 CC1CC1C(=O)N(C)CCCO 527a_100000213112_100000211227 [0,1,0,1,0,0|2,0,0]=4 15090 B12R1.2804 CCCCC(C)C(=O)C1CC1C 1458a_100000211227_200011215066 [0,1,0,1,0,0|1,0,0]=3 15091 B12R1.2804 CCCCC(C)C(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_200011215066 [0,1,0,1,0,0|2,0,0]=4 15092 B12R1.2804 CCCCN(C)C(=O)C1CC1C 11a_100000207549_100000211227 [0,1,0,1,0,0|1,0,0]=3 15093 B12R1.2804 CCCCN(C)C(=O)C1CC1C 1626a_100000207549_100000211227 [0,1,0,1,0,0|1,0,0]=3 15094 B12R1.2804 CCCCN(C)C(=O)C1CC1C 527a_100000207549_100000211227 [0,1,0,1,0,0|1,0,0]=3 15095 B12R1.2804 CCCCN(C)C(=O)[C@@H]1C[C@@H]1F 11a_100000207549_100015396687 [0,1,0,1,0,0|2,0,0]=4 15096 B12R1.2804 CCCCN(C)C(=O)[C@@H]1C[C@@H]1F 240690a_100000207549_100015396687 [0,1,0,1,0,0|2,0,0]=4 15097 B12R1.2804 CCCCN(C)C(=O)[C@@H]1C[C@@H]1F 527a_100000207549_100015396687 [0,1,0,1,0,0|2,0,0]=4 15098 B12R1.2804 COCCN(C)C(=O)C1CC1C 11a_100000743101_100000211227 [0,1,0,1,0,0|2,0,0]=4 15099 B12R1.2804 COCCN(C)C(=O)C1CC1C 1626a_100000743101_100000211227 [0,1,0,1,0,0|2,0,0]=4 15100 B12R1.2804 COCCN(C)C(=O)C1CC1C 527a_100000743101_100000211227 [0,1,0,1,0,0|2,0,0]=4 15101 B12R1.2804 CSCCN(C)C(=O)C1CC1C 11a_100000686725_100000211227 [0,1,0,1,0,0|2,0,0]=4 15102 B12R1.2804 CSCCN(C)C(=O)C1CC1C 1626a_100000686725_100000211227 [0,1,0,1,0,0|2,0,0]=4 15103 B12R1.2804 CSCCN(C)C(=O)C1CC1C 527a_100000686725_100000211227 [0,1,0,1,0,0|2,0,0]=4 15104 B12R1.28 CCCCOC1CCCC(C1)C 34a_100000211399_100000210210 [0,1,0,1,0,0|1,0,1]=4 15105 B12R1.28 CCCCOC1CCOC(C1)C 34a_100011986385_100000210210 [0,1,0,1,0,0|1,0,1]=4 15106 B12R1.28 CCCCOC1CCOC(C1)C 7a_100011986385_100000210211 [0,1,0,1,0,0|1,0,1]=4 15107 B12R1.2099 C#CC(CC(C)C)OC1CCC1 34a_100011215986_100000749161 [0,1,0,1,0,0|1,0,1]=4 15108 B12R1.2099 C=CC(CC(C)C)OC1CCC1 34a_100012186643_100000749161 [0,1,0,1,0,0|1,0,1]=4 15109 B12R1.2099 CC(C)CC(C#N)OC1CCC1 34a_200011294978_100000749161 [0,1,0,1,0,0|1,0,1]=4 15110 B12R1.2104 C#CC(CC(C)C)OCC1CC1 34a_100011215986_100000742324 [0,1,0,1,0,0|1,0,1]=4 15111 B12R1.2104 C#CC(CC(C)C)OCC1CC1 7a_100011215986_100000742324 [0,1,0,1,0,0|1,0,1]=4 15112 B12R1.2104 C=CC(CC(C)C)OCC1CC1 34a_100012186643_100000742324 [0,1,0,1,0,0|1,0,1]=4 15113 B12R1.2104 C=CC(CC(C)C)OCC1CC1 7a_100012186643_100000742324 [0,1,0,1,0,0|1,0,1]=4 15114 B12R1.2104 CC(C)CC(C#N)OCC1CC1 34a_200011294978_100000742324 [0,1,0,1,0,0|1,0,1]=4 15115 B12R1.2104 CC(C)CC(C#N)OCC1CC1 7a_200011294978_100000742324 [0,1,0,1,0,0|1,0,1]=4 15116 B12R1.26 CCC(C)COC1CCC(C1)C 34a_100000698185_100000748023 [0,1,0,1,0,0|1,0,1]=4 15117 B12R1.26 CCC(O)COC1CCC(C1)C 34a_100000698185_100011218378 [0,1,0,1,0,0|1,0,1]=4 15118 B12R1.26 CC[C@H](C)COC1CCC(C1)C 34a_100000698185_100009816398 [0,1,0,1,0,0|1,0,1]=4 15119 B12R1.910 CC(CO)CNC(=O)CC1CC1 240690a_100000744482_100000738066 [0,1,0,1,0,0|2,0,0]=4 15120 B12R1.910 CC(CO)CNC(=O)CC1CC1 527a_100000744482_100000738066 [0,1,0,1,0,0|2,0,0]=4 15121 B12R1.910 CCC(C)CCC(=O)CC1CC1 1458a_100000701222_100000742324 [0,1,0,1,0,0|1,0,0]=3 15122 B12R1.910 CCC(C)CCC(=O)CC1CO1 1458a_100000701222_100011216344 [0,1,0,1,0,0|2,0,0]=4 15123 B12R1.910 CCC(C)CCC(=O)CC1CS1 1458a_100000701222_100000031435 [0,1,0,1,0,0|2,0,0]=4 15124 B12R1.910 CCC(C)CCC(=O)C[C@@H]1CO1 1458a_100000701222_100000745022 [0,1,0,1,0,0|2,0,0]=4 15125 B12R1.910 CCC(C)CCC(=O)NC1CC1 1626a_100000212008_100000701222 [0,1,0,1,0,0|2,0,0]=4 15126 B12R1.910 CCC(C)CCC(=O)NC1CC1 240690a_100000212008_100000701222 [0,1,0,1,0,0|2,0,0]=4 15127 B12R1.910 CCC(C)CCC(=O)NC1CC1 527a_100000212008_100000701222 [0,1,0,1,0,0|2,0,0]=4 15128 B12R1.910 CCC(C)CNC(=O)CC1CC1 11a_100020588543_100000738066 [0,1,0,1,0,0|1,0,0]=3 15129 B12R1.910 CCC(C)CNC(=O)CC1CC1 1626a_100020588543_100000738066 [0,1,0,1,0,0|1,0,0]=3 15130 B12R1.910 CCC(C)CNC(=O)CC1CC1 240690a_100020588543_100000738066 [0,1,0,1,0,0|1,0,0]=3 15131 B12R1.910 CCC(C)CNC(=O)CC1CC1 527a_100020588543_100000738066 [0,1,0,1,0,0|1,0,0]=3 15132 B12R1.910 CCC(C)CNC(=O)NC1CC1 2708a_100000212008_100020588543 [0,1,0,1,0,0|2,0,0]=4 15133 B12R1.910 CCC(C)CNC(=O)NC1CC1 2708a_100020588543_100000212008 [0,1,0,1,0,0|2,0,0]=4 15134 B12R1.910 CCC(C)CNC(=O)NC1CC1 273464a_100000212008_100020588543 [0,1,0,1,0,0|2,0,0]=4 15135 B12R1.910 CCC(C)CNC(=O)NC1CC1 273464a_100020588543_100000212008 [0,1,0,1,0,0|2,0,0]=4 15136 B12R1.910 CCC(C)CNC(=O)NC1CC1 512a_100000212008_100020588543 [0,1,0,1,0,0|2,0,0]=4 15137 B12R1.910 CCC(C)NNC(=O)CC1CC1 22a_100000718999_100000738066 [0,1,0,1,0,0|2,0,0]=4 15138 B12R1.910 CCC(O)CCC(=O)NC1CC1 1626a_100000212008_203496584001 [0,1,0,1,0,0|2,0,0]=4 15139 B12R1.910 CCC(O)CCC(=O)NC1CC1 240690a_100000212008_203496584001 [0,1,0,1,0,0|2,0,0]=4 15140 B12R1.910 CCC(O)CNC(=O)CC1CC1 11a_100011218483_100000738066 [0,1,0,1,0,0|1,0,0]=3 15141 B12R1.910 CCC(O)CNC(=O)CC1CC1 240690a_100011218483_100000738066 [0,1,0,1,0,0|1,0,0]=3 15142 B12R1.910 CCC(O)CNC(=O)CC1CC1 527a_100011218483_100000738066 [0,1,0,1,0,0|1,0,0]=3 15143 B12R1.910 CCC(O)CNC(=O)NC1CC1 2708a_100000212008_100011218483 [0,1,0,1,0,0|2,0,0]=4 15144 B12R1.910 CCC(O)CNC(=O)NC1CC1 273464a_100000212008_100011218483 [0,1,0,1,0,0|2,0,0]=4 15145 B12R1.910 CCC(O)CNC(=O)NC1CC1 273464a_100011218483_100000212008 [0,1,0,1,0,0|2,0,0]=4 15146 B12R1.910 CCN(C)CCC(=O)CC1CC1 1458a_100000755305_100000742324 [0,1,0,1,0,0|2,0,0]=4 15147 B12R1.910 CCS(=O)CCC(=O)CC1CC1 1458a_100011387550_100000742324 [0,1,0,1,0,0|2,0,0]=4 15148 B12R1.910 CO[C@H](C)CNC(=O)CC1CC1 11a_100020591295_100000738066 [0,1,0,1,0,0|2,0,0]=4 15149 B12R1.910 CO[C@H](C)CNC(=O)CC1CC1 1626a_100020591295_100000738066 [0,1,0,1,0,0|2,0,0]=4 15150 B12R1.910 CO[C@H](C)CNC(=O)CC1CC1 240690a_100020591295_100000738066 [0,1,0,1,0,0|2,0,0]=4 15151 B12R1.910 CO[C@H](C)CNC(=O)CC1CC1 527a_100020591295_100000738066 [0,1,0,1,0,0|2,0,0]=4 15152 B12R1.910 O=C(CC1CC1)NC[C@@H](F)CO 240690a_100015665980_100000738066 [0,1,0,1,0,0|2,0,0]=4 15153 B12R1.910 O=C(CC1CC1)NC[C@@H](F)CO 527a_100015665980_100000738066 [0,1,0,1,0,0|2,0,0]=4 15154 B12R1.910 O=C(CC1CC1)NC[C@H](O)CO 240690a_100020644852_100000738066 [0,1,0,1,0,0|2,0,0]=4 15155 B12R1.910 O=C(CC1CC1)NC[C@H](O)CO 527a_100020644852_100000738066 [0,1,0,1,0,0|2,0,0]=4 15156 B12R1.1050 CC(C)CC(=O)N1C[C@@H]([C@@H]1C)O 11a_206633788156_100000210554 [0,1,0,1,0,0|1,0,0]=3 15157 B12R1.1050 CC(C)CC(=O)N1C[C@@H]([C@@H]1C)O 240690a_206633788156_100000210554 [0,1,0,1,0,0|1,0,0]=3 15158 B12R1.1050 CC(C)CC(=O)N1C[C@@H]([C@@H]1C)O 527a_206633788156_100000210554 [0,1,0,1,0,0|1,0,0]=3 15159 B12R1.1050 CC(C)NC(=O)N1C[C@@H]([C@@H]1C)O 2708a_100138425928_206633788156 [0,1,0,1,0,0|2,0,0]=4 15160 B12R1.1050 CC(C)NC(=O)N1C[C@@H]([C@@H]1C)O 273464a_100138425928_206633788156 [0,1,0,1,0,0|2,0,0]=4 15161 B12R1.1050 C[C@@H](O)CC(=O)N1C[C@@H]([C@@H]1C)O 240690a_206633788156_100011933948 [0,1,0,1,0,0|2,0,0]=4 15162 B12R1.1050 C[C@H]1[C@H](CN1C(=O)CN(C)C)O 11a_206633788156_100000750896 [0,1,0,1,0,0|2,0,0]=4 15163 B12R1.1050 C[C@H]1[C@H](CN1C(=O)CN(C)C)O 240690a_206633788156_100000750896 [0,1,0,1,0,0|2,0,0]=4 15164 B12R1.1050 C[C@H]1[C@H](CN1C(=O)CN(C)C)O 527a_206633788156_100000750896 [0,1,0,1,0,0|2,0,0]=4 15165 B12R1.1050 C[C@H]1[C@H](CN1C(=O)C[S+](C)C)O 11a_206633788156_200159257847 [0,1,0,1,0,0|2,0,0]=4 15166 B12R1.1050 C[C@H]1[C@H](CN1C(=O)C[S+](C)C)O 240690a_206633788156_200159257847 [0,1,0,1,0,0|2,0,0]=4 15167 B12R1.1050 C[C@H]1[C@H](CN1C(=O)C[S+](C)C)O 527a_206633788156_200159257847 [0,1,0,1,0,0|2,0,0]=4 15168 B12R1.1834 CC(C)CC(=O)NCC1(CC1)C 11a_100000766693_100000210554 [0,1,0,1,0,0|1,0,0]=3 15169 B12R1.1834 CC(C)CC(=O)NCC1(CC1)C 1626a_100000766693_100000210554 [0,1,0,1,0,0|1,0,0]=3 15170 B12R1.1834 CC(C)CC(=O)NCC1(CC1)C 240690a_100000766693_100000210554 [0,1,0,1,0,0|1,0,0]=3 15171 B12R1.1834 CC(C)CC(=O)NCC1(CC1)C 527a_100000766693_100000210554 [0,1,0,1,0,0|1,0,0]=3 15172 B12R1.1834 CC(C)CC(=O)NCC1(CC1)O 11a_100011936951_100000210554 [0,1,0,1,0,0|1,0,0]=3 15173 B12R1.1834 CC(C)CC(=O)NCC1(CC1)O 240690a_100011936951_100000210554 [0,1,0,1,0,0|1,0,0]=3 15174 B12R1.1834 CC(C)CC(=O)NCC1(CC1)O 527a_100011936951_100000210554 [0,1,0,1,0,0|1,0,0]=3 15175 B12R1.1834 CC(C)CC(C)OCC1(CC1)C 7a_100000698024_100000731052 [0,1,0,1,0,0|1,0,1]=4 15176 B12R1.1834 CC(C)CC(C)OCC1(CC1)F 34a_200000703853_100000731052 [0,1,0,1,0,0|1,0,1]=4 15177 B12R1.1834 CC(C)CC(C)OCC1(CC1)F 7a_200000703853_100000731052 [0,1,0,1,0,0|1,0,1]=4 15178 B12R1.1834 CC(C)NC(=O)NCC1(CC1)C 2708a_100000766693_100138425928 [0,1,0,1,0,0|2,0,0]=4 15179 B12R1.1834 CC(C)NC(=O)NCC1(CC1)C 2708a_100138425928_100000766693 [0,1,0,1,0,0|2,0,0]=4 15180 B12R1.1834 CC(C)NC(=O)NCC1(CC1)C 273464a_100138425928_100000766693 [0,1,0,1,0,0|2,0,0]=4 15181 B12R1.1834 CC(C)NC(=O)NCC1(CC1)C 512a_100000766693_100138425928 [0,1,0,1,0,0|2,0,0]=4 15182 B12R1.1834 CC(C)NC(=O)NCC1(CC1)C 512a_100138425928_100000766693 [0,1,0,1,0,0|2,0,0]=4 15183 B12R1.1834 CC(C)NC(=O)NCC1(CC1)O 2708a_100011936951_100138425928 [0,1,0,1,0,0|2,0,0]=4 15184 B12R1.1834 CC(C)NC(=O)NCC1(CC1)O 2708a_100138425928_100011936951 [0,1,0,1,0,0|2,0,0]=4 15185 B12R1.1834 CC(C)NC(=O)NCC1(CC1)O 273464a_100138425928_100011936951 [0,1,0,1,0,0|2,0,0]=4 15186 B12R1.1834 CC(C)NC(=O)NCC1(CC1)O 512a_100011936951_100138425928 [0,1,0,1,0,0|2,0,0]=4 15187 B12R1.1834 CC(C)NC(=O)NCC1(CC1)O 512a_100138425928_100011936951 [0,1,0,1,0,0|2,0,0]=4 15188 B12R1.1834 CN(C)CC(=O)NCC1(CC1)C 11a_100000766693_100000750896 [0,1,0,1,0,0|2,0,0]=4 15189 B12R1.1834 CN(C)CC(=O)NCC1(CC1)C 240690a_100000766693_100000750896 [0,1,0,1,0,0|2,0,0]=4 15190 B12R1.1834 CN(C)CC(=O)NCC1(CC1)C 527a_100000766693_100000750896 [0,1,0,1,0,0|2,0,0]=4 15191 B12R1.1834 CN(C)CC(=O)NCC1(CC1)O 11a_100011936951_100000750896 [0,1,0,1,0,0|2,0,0]=4 15192 B12R1.1834 CN(C)CC(=O)NCC1(CC1)O 240690a_100011936951_100000750896 [0,1,0,1,0,0|2,0,0]=4 15193 B12R1.1834 CN(C)CC(=O)NCC1(CC1)O 527a_100011936951_100000750896 [0,1,0,1,0,0|2,0,0]=4 15194 B12R1.1834 C[C@@H](O)CC(=O)NCC1(CC1)C 240690a_100000766693_100011933948 [0,1,0,1,0,0|2,0,0]=4 15195 B12R1.1834 C[C@@H](O)CC(=O)NCC1(CC1)O 240690a_100011936951_100011933948 [0,1,0,1,0,0|2,0,0]=4 15196 B12R1.1834 C[S+](C)CC(=O)NCC1(CC1)C 11a_100000766693_200159257847 [0,1,0,1,0,0|2,0,0]=4 15197 B12R1.1834 C[S+](C)CC(=O)NCC1(CC1)C 1626a_100000766693_200159257847 [0,1,0,1,0,0|2,0,0]=4 15198 B12R1.1834 C[S+](C)CC(=O)NCC1(CC1)C 240690a_100000766693_200159257847 [0,1,0,1,0,0|2,0,0]=4 15199 B12R1.1834 C[S+](C)CC(=O)NCC1(CC1)C 527a_100000766693_200159257847 [0,1,0,1,0,0|2,0,0]=4 15200 B12R1.1834 C[S+](C)CC(=O)NCC1(CC1)O 11a_100011936951_200159257847 [0,1,0,1,0,0|2,0,0]=4 15201 B12R1.1834 C[S+](C)CC(=O)NCC1(CC1)O 240690a_100011936951_200159257847 [0,1,0,1,0,0|2,0,0]=4 15202 B12R1.1834 C[S+](C)CC(=O)NCC1(CC1)O 527a_100011936951_200159257847 [0,1,0,1,0,0|2,0,0]=4 15203 B12R1.3608 CC(CO)CNC(=O)C1CC1C 527a_100000744482_100000211227 [0,1,0,1,0,0|2,0,0]=4 15204 B12R1.3608 CC1CC1C(=O)NC[C@@H](F)CO 527a_100015665980_100000211227 [0,1,0,1,0,0|2,0,0]=4 15205 B12R1.3608 CC1CC1C(=O)NC[C@H](O)CO 527a_100020644852_100000211227 [0,1,0,1,0,0|2,0,0]=4 15206 B12R1.3608 CCC(C)CNC(=O)C1CC1C 11a_100020588543_100000211227 [0,1,0,1,0,0|1,0,0]=3 15207 B12R1.3608 CCC(C)CNC(=O)C1CC1C 1626a_100020588543_100000211227 [0,1,0,1,0,0|1,0,0]=3 15208 B12R1.3608 CCC(C)CNC(=O)C1CC1C 527a_100020588543_100000211227 [0,1,0,1,0,0|1,0,0]=3 15209 B12R1.3608 CCC(C)CNC(=O)[C@@H]1C[C@@H]1F 11a_100020588543_100015396687 [0,1,0,1,0,0|2,0,0]=4 15210 B12R1.3608 CCC(C)CNC(=O)[C@@H]1C[C@@H]1F 240690a_100020588543_100015396687 [0,1,0,1,0,0|2,0,0]=4 15211 B12R1.3608 CCC(C)CNC(=O)[C@@H]1C[C@@H]1F 527a_100020588543_100015396687 [0,1,0,1,0,0|2,0,0]=4 15212 B12R1.3608 CCC(C)NNC(=O)C1CC1C 22a_100000718999_100000211227 [0,1,0,1,0,0|2,0,0]=4 15213 B12R1.3608 CCC(O)CNC(=O)C1CC1C 11a_100011218483_100000211227 [0,1,0,1,0,0|1,0,0]=3 15214 B12R1.3608 CCC(O)CNC(=O)C1CC1C 527a_100011218483_100000211227 [0,1,0,1,0,0|1,0,0]=3 15215 B12R1.3608 CCC(O)CNC(=O)[C@@H]1C[C@@H]1F 11a_100011218483_100015396687 [0,1,0,1,0,0|2,0,0]=4 15216 B12R1.3608 CCC(O)CNC(=O)[C@@H]1C[C@@H]1F 240690a_100011218483_100015396687 [0,1,0,1,0,0|2,0,0]=4 15217 B12R1.3608 CCC(O)CNC(=O)[C@@H]1C[C@@H]1F 527a_100011218483_100015396687 [0,1,0,1,0,0|2,0,0]=4 15218 B12R1.3608 CO[C@H](C)CNC(=O)C1CC1C 11a_100020591295_100000211227 [0,1,0,1,0,0|2,0,0]=4 15219 B12R1.3608 CO[C@H](C)CNC(=O)C1CC1C 1626a_100020591295_100000211227 [0,1,0,1,0,0|2,0,0]=4 15220 B12R1.3608 CO[C@H](C)CNC(=O)C1CC1C 527a_100020591295_100000211227 [0,1,0,1,0,0|2,0,0]=4 15221 B12R1.120 CC(C(=O)N1CCCC1)N(C)C 2230a_100102631434_100000183899 [0,1,0,1,0,0|2,0,0]=4 15222 B12R1.120 CC(C(=O)N1CCCC1)N(C)C 269982a_100102631434_100000183899 [0,1,0,1,0,0|2,0,0]=4 15223 B12R1.120 CC(C)C(C)C(=O)C1CCCC1 1458a_100000755409_100000179811 [0,1,0,1,0,0|1,0,0]=3 15224 B12R1.120 CC(C)C(C)C(=O)C1CCOC1 1458a_100000755409_100000690089 [0,1,0,1,0,0|2,0,0]=4 15225 B12R1.120 CC(C)C(C)C(=O)N1CCCC1 240690a_100000188435_100000755409 [0,1,0,1,0,0|1,0,0]=3 15226 B12R1.120 CC(C)C(C)C(=O)N1CCCC1 527a_100000188435_100000755409 [0,1,0,1,0,0|1,0,0]=3 15227 B12R1.120 CC(C)C(C)C(=O)N1CCSC1 11a_100011215254_100000755409 [0,1,0,1,0,0|2,0,0]=4 15228 B12R1.120 CC(C)C(C)C(=O)N1CCSC1 240690a_100011215254_100000755409 [0,1,0,1,0,0|2,0,0]=4 15229 B12R1.120 CC(C)C(C)C(=O)N1CCSC1 527a_100011215254_100000755409 [0,1,0,1,0,0|2,0,0]=4 15230 B12R1.120 CC(C)N(C)C(=O)C1CCCC1 11a_200000211004_100000210718 [0,1,0,1,0,0|2,0,0]=4 15231 B12R1.120 CC(C)N(C)C(=O)C1CCCC1 1626a_200000211004_100000210718 [0,1,0,1,0,0|2,0,0]=4 15232 B12R1.120 CC(C)N(C)C(=O)C1CCCC1 240690a_200000211004_100000210718 [0,1,0,1,0,0|2,0,0]=4 15233 B12R1.120 CC(C)N(C)C(=O)C1CCCC1 527a_200000211004_100000210718 [0,1,0,1,0,0|2,0,0]=4 15234 B12R1.120 CC(C)[C@@H](O)C(=O)C1CCCC1 1458a_100000691806_100000179811 [0,1,0,1,0,0|1,0,0]=3 15235 B12R1.120 CC(C)[C@@H](O)C(=O)C1CCOC1 1458a_100000691806_100000690089 [0,1,0,1,0,0|2,0,0]=4 15236 B12R1.120 CC(C)[C@@H](O)C(=O)N1CCCC1 240690a_100000188435_100000691806 [0,1,0,1,0,0|1,0,0]=3 15237 B12R1.120 CC(C)[C@@H](O)C(=O)N1CCSC1 240690a_100011215254_100000691806 [0,1,0,1,0,0|2,0,0]=4 15238 B12R1.120 C[C@@H](C(=O)C1CCCC1)N(C)C 1458a_100009822176_100000179811 [0,1,0,1,0,0|2,0,0]=4 15239 B12R1.120 C[C@@H](C(=O)N1CCCC1)N(C)C 240690a_100000188435_100009822176 [0,1,0,1,0,0|2,0,0]=4 15240 B12R1.120 C[C@@H](C(=O)N1CCCC1)N(C)C 527a_100000188435_100009822176 [0,1,0,1,0,0|2,0,0]=4 15241 B12R1.148 CC(C)C(C)C(=O)N[C@@H]1C[C@@H]1F 240690a_100015190264_100000755409 [0,1,0,1,0,0|2,0,0]=4 15242 B12R1.148 CC(C)C(C)C(=O)N[C@@H]1C[C@@H]1F 527a_100015190264_100000755409 [0,1,0,1,0,0|2,0,0]=4 15243 B12R1.148 CC(C)C(C)C(=O)N[C@@H]1C[C@H]1F 11a_100025746932_100000755409 [0,1,0,1,0,0|2,0,0]=4 15244 B12R1.148 CC(C)C(C)C(=O)N[C@@H]1C[C@H]1F 1626a_100025746932_100000755409 [0,1,0,1,0,0|2,0,0]=4 15245 B12R1.148 CC(C)C(C)C(=O)N[C@@H]1C[C@H]1F 240690a_100025746932_100000755409 [0,1,0,1,0,0|2,0,0]=4 15246 B12R1.148 CC(C)C(C)C(=O)N[C@@H]1C[C@H]1F 527a_100025746932_100000755409 [0,1,0,1,0,0|2,0,0]=4 15247 B12R1.148 CC(C)[C@@H](O)C(=O)N[C@@H]1C[C@@H]1F 240690a_100015190264_100000691806 [0,1,0,1,0,0|2,0,0]=4 15248 B12R1.148 CC(C)[C@@H](O)C(=O)N[C@@H]1C[C@H]1F 240690a_100025746932_100000691806 [0,1,0,1,0,0|2,0,0]=4 15249 B12R1.208 CC(C)C(C)C(=O)N1CCC1C 11a_100000755817_100000755409 [0,1,0,1,0,0|1,0,0]=3 15250 B12R1.208 CC(C)C(C)C(=O)N1CCC1C 240690a_100000755817_100000755409 [0,1,0,1,0,0|1,0,0]=3 15251 B12R1.208 CC(C)C(C)C(=O)N1CCC1C 527a_100000755817_100000755409 [0,1,0,1,0,0|1,0,0]=3 15252 B12R1.208 CC(C)[C@@H](O)C(=O)N1CCC1C 240690a_100000755817_100000691806 [0,1,0,1,0,0|1,0,0]=3 15253 B12R1.208 CC1CCN1C(=O)[C@H](C)N(C)C 240690a_100000755817_100009822176 [0,1,0,1,0,0|2,0,0]=4 15254 B12R1.208 CC1CCN1C(=O)[C@H](C)N(C)C 527a_100000755817_100009822176 [0,1,0,1,0,0|2,0,0]=4 15255 B12R1.423 CCC1CC1C(=O)N(C)C(C)C 11a_200000211004_200011661523 [0,1,0,1,0,0|2,0,0]=4 15256 B12R1.423 CCC1CC1C(=O)N(C)C(C)C 1626a_200000211004_200011661523 [0,1,0,1,0,0|2,0,0]=4 15257 B12R1.423 CCC1CC1C(=O)N(C)C(C)C 240690a_200000211004_200011661523 [0,1,0,1,0,0|2,0,0]=4 15258 B12R1.423 CCC1CC1C(=O)N(C)C(C)C 527a_200000211004_200011661523 [0,1,0,1,0,0|2,0,0]=4 15259 B12R1.485 CCCCCC(=O)N1CCC1C 11a_100000755817_100000212188 [0,1,0,1,0,0|2,0,0]=4 15260 B12R1.485 CCCCCC(=O)N1CCC1C 240690a_100000755817_100000212188 [0,1,0,1,0,0|2,0,0]=4 15261 B12R1.485 CCCCCC(=O)N1CCC1C 527a_100000755817_100000212188 [0,1,0,1,0,0|2,0,0]=4 15262 B12R1.485 CCCCNC(=O)N1CCC1C 2708a_100000102301_100000755817 [0,1,0,1,0,0|2,0,0]=4 15263 B12R1.485 CCCCNC(=O)N1CCC1C 273464a_100000102301_100000755817 [0,1,0,1,0,0|2,0,0]=4 15264 B12R1.689 CCCCCC(=O)N(C)C1CC1 11a_100000226674_100000212188 [0,1,0,1,0,0|2,0,0]=4 15265 B12R1.689 CCCCCC(=O)N(C)C1CC1 1626a_100000226674_100000212188 [0,1,0,1,0,0|2,0,0]=4 15266 B12R1.689 CCCCCC(=O)N(C)C1CC1 240690a_100000226674_100000212188 [0,1,0,1,0,0|2,0,0]=4 15267 B12R1.689 CCCCCC(=O)N(C)C1CC1 527a_100000226674_100000212188 [0,1,0,1,0,0|2,0,0]=4 15268 B12R1.689 CCCCNC(=O)N(C)C1CC1 2708a_100000102301_100000226674 [0,1,0,1,0,0|2,0,0]=4 15269 B12R1.689 CCCCNC(=O)N(C)C1CC1 273464a_100000102301_100000226674 [0,1,0,1,0,0|2,0,0]=4 15270 B12R1.880 CC(C)C(C)C(=O)CC1CCC1 1458a_100000755409_100000763275 [0,1,0,1,0,0|1,0,0]=3 15271 B12R1.880 CC(C)C(C)C(=O)CC1CCO1 1458a_100000755409_100000103362 [0,1,0,1,0,0|2,0,0]=4 15272 B12R1.880 CC(C)C(C)C(=O)CC1COC1 1458a_100000755409_100010264016 [0,1,0,1,0,0|2,0,0]=4 15273 B12R1.880 CC(C)C(C)C(=O)NC1CCC1 11a_100000749019_100000755409 [0,1,0,1,0,0|1,0,0]=3 15274 B12R1.880 CC(C)C(C)C(=O)NC1CCC1 1626a_100000749019_100000755409 [0,1,0,1,0,0|1,0,0]=3 15275 B12R1.880 CC(C)C(C)C(=O)NC1CCC1 240690a_100000749019_100000755409 [0,1,0,1,0,0|1,0,0]=3 15276 B12R1.880 CC(C)C(C)C(=O)NC1CCC1 527a_100000749019_100000755409 [0,1,0,1,0,0|1,0,0]=3 15277 B12R1.880 CC(C)C(C)C(=O)NC1COC1 11a_100016991112_100000755409 [0,1,0,1,0,0|2,0,0]=4 15278 B12R1.880 CC(C)C(C)C(=O)NC1COC1 1626a_100016991112_100000755409 [0,1,0,1,0,0|2,0,0]=4 15279 B12R1.880 CC(C)C(C)C(=O)NC1COC1 240690a_100016991112_100000755409 [0,1,0,1,0,0|2,0,0]=4 15280 B12R1.880 CC(C)C(C)C(=O)NC1COC1 527a_100016991112_100000755409 [0,1,0,1,0,0|2,0,0]=4 15281 B12R1.880 CC(C)C(C)C(=O)NC1CSC1 11a_100016994217_100000755409 [0,1,0,1,0,0|2,0,0]=4 15282 B12R1.880 CC(C)C(C)C(=O)NC1CSC1 1626a_100016994217_100000755409 [0,1,0,1,0,0|2,0,0]=4 15283 B12R1.880 CC(C)C(C)C(=O)NC1CSC1 240690a_100016994217_100000755409 [0,1,0,1,0,0|2,0,0]=4 15284 B12R1.880 CC(C)C(C)C(=O)NC1CSC1 527a_100016994217_100000755409 [0,1,0,1,0,0|2,0,0]=4 15285 B12R1.880 CC(C)N(C)C(=O)CC1CCC1 11a_200000211004_100000763092 [0,1,0,1,0,0|2,0,0]=4 15286 B12R1.880 CC(C)N(C)C(=O)CC1CCC1 1626a_200000211004_100000763092 [0,1,0,1,0,0|2,0,0]=4 15287 B12R1.880 CC(C)N(C)C(=O)CC1CCC1 240690a_200000211004_100000763092 [0,1,0,1,0,0|2,0,0]=4 15288 B12R1.880 CC(C)N(C)C(=O)CC1CCC1 527a_200000211004_100000763092 [0,1,0,1,0,0|2,0,0]=4 15289 B12R1.880 CC(C)N(C)C(=O)NC1CCC1 273464a_100000749019_200000211004 [0,1,0,1,0,0|2,0,0]=4 15290 B12R1.880 CC(C)[C@@H](O)C(=O)CC1CCC1 1458a_100000691806_100000763275 [0,1,0,1,0,0|1,0,0]=3 15291 B12R1.880 CC(C)[C@@H](O)C(=O)CC1CCO1 1458a_100000691806_100000103362 [0,1,0,1,0,0|2,0,0]=4 15292 B12R1.880 CC(C)[C@@H](O)C(=O)CC1COC1 1458a_100000691806_100010264016 [0,1,0,1,0,0|2,0,0]=4 15293 B12R1.880 CC(C)[C@@H](O)C(=O)NC1CCC1 240690a_100000749019_100000691806 [0,1,0,1,0,0|1,0,0]=3 15294 B12R1.880 CC(C)[C@@H](O)C(=O)NC1COC1 240690a_100016991112_100000691806 [0,1,0,1,0,0|2,0,0]=4 15295 B12R1.880 CC(C)[C@@H](O)C(=O)NC1CSC1 240690a_100016994217_100000691806 [0,1,0,1,0,0|2,0,0]=4 15296 B12R1.880 C[C@@H](C(=O)CC1CCC1)N(C)C 1458a_100009822176_100000763275 [0,1,0,1,0,0|2,0,0]=4 15297 B12R1.880 C[C@@H](C(=O)NC1CCC1)N(C)C 240690a_100000749019_100009822176 [0,1,0,1,0,0|2,0,0]=4 15298 B12R1.880 C[C@@H](C(=O)NC1CCC1)N(C)C 527a_100000749019_100009822176 [0,1,0,1,0,0|2,0,0]=4 15299 B12R1.881 CC(C)C(C)C(=O)CCC1CC1 1458a_100000755409_100000694398 [0,1,0,1,0,0|1,0,0]=3 15300 B12R1.881 CC(C)C(C)C(=O)CCC1CO1 1458a_100000755409_100000732470 [0,1,0,1,0,0|2,0,0]=4 15301 B12R1.881 CC(C)C(C)C(=O)NCC1CC1 11a_100000735609_100000755409 [0,1,0,1,0,0|1,0,0]=3 15302 B12R1.881 CC(C)C(C)C(=O)NCC1CC1 1626a_100000735609_100000755409 [0,1,0,1,0,0|1,0,0]=3 15303 B12R1.881 CC(C)C(C)C(=O)NCC1CC1 240690a_100000735609_100000755409 [0,1,0,1,0,0|1,0,0]=3 15304 B12R1.881 CC(C)C(C)C(=O)NCC1CC1 527a_100000735609_100000755409 [0,1,0,1,0,0|1,0,0]=3 15305 B12R1.881 CC(C)C(C)C(=O)NNC1CC1 22a_100000701032_100000755409 [0,1,0,1,0,0|2,0,0]=4 15306 B12R1.881 CC(C)N(C)C(=O)CCC1CC1 11a_200000211004_100000756386 [0,1,0,1,0,0|2,0,0]=4 15307 B12R1.881 CC(C)N(C)C(=O)CCC1CC1 1626a_200000211004_100000756386 [0,1,0,1,0,0|2,0,0]=4 15308 B12R1.881 CC(C)N(C)C(=O)CCC1CC1 240690a_200000211004_100000756386 [0,1,0,1,0,0|2,0,0]=4 15309 B12R1.881 CC(C)N(C)C(=O)CCC1CC1 527a_200000211004_100000756386 [0,1,0,1,0,0|2,0,0]=4 15310 B12R1.881 CC(C)N(C)C(=O)NCC1CC1 2708a_100000735609_200000211004 [0,1,0,1,0,0|2,0,0]=4 15311 B12R1.881 CC(C)N(C)C(=O)NCC1CC1 273464a_100000735609_200000211004 [0,1,0,1,0,0|2,0,0]=4 15312 B12R1.881 CC(C)[C@@H](O)C(=O)CCC1CC1 1458a_100000691806_100000694398 [0,1,0,1,0,0|1,0,0]=3 15313 B12R1.881 CC(C)[C@@H](O)C(=O)CCC1CO1 1458a_100000691806_100000732470 [0,1,0,1,0,0|2,0,0]=4 15314 B12R1.881 CC(C)[C@@H](O)C(=O)NCC1CC1 240690a_100000735609_100000691806 [0,1,0,1,0,0|1,0,0]=3 15315 B12R1.881 CC(C)[C@@H](O)C(=O)NNC1CC1 22a_100000701032_100000691806 [0,1,0,1,0,0|2,0,0]=4 15316 B12R1.881 C[C@@H](C(=O)CCC1CC1)N(C)C 1458a_100009822176_100000694398 [0,1,0,1,0,0|2,0,0]=4 15317 B12R1.881 C[C@@H](C(=O)NCC1CC1)N(C)C 240690a_100000735609_100009822176 [0,1,0,1,0,0|2,0,0]=4 15318 B12R1.881 C[C@@H](C(=O)NCC1CC1)N(C)C 527a_100000735609_100009822176 [0,1,0,1,0,0|2,0,0]=4 15319 B12R1.15 C=CC(C)CC(=O)C1CCCC1 1458a_100011934298_100000179811 [0,1,0,1,0,0|1,0,1]=4 15320 B12R1.15 C=CC(C)CC(=O)N1CCCC1 240690a_100000188435_100011934298 [0,1,0,1,0,0|1,0,1]=4 15321 B12R1.15 C=CC(C)CC(=O)N1CCCC1 527a_100000188435_100011934298 [0,1,0,1,0,0|1,0,1]=4 15322 B12R1.15 CCC(C)CC(=O)C1=CCCC1 1458a_100000038896_100000748023 [0,1,0,1,0,0|1,0,1]=4 15323 B12R1.15 CCC(C)CC(=O)C1CCCC1 1458a_100000210718_100000748023 [0,1,0,1,0,0|1,0,0]=3 15324 B12R1.15 CCC(C)CC(=O)C1CCCC1 1458a_100000708755_100000179811 [0,1,0,1,0,0|1,0,0]=3 15325 B12R1.15 CCC(C)CC(=O)C1CCCS1 1458a_100012002731_100000748023 [0,1,0,1,0,0|2,0,0]=4 15326 B12R1.15 CCC(C)CC(=O)C1CCOC1 1458a_100000708755_100000690089 [0,1,0,1,0,0|2,0,0]=4 15327 B12R1.15 CCC(C)CC(=O)C1CCOC1 1458a_100011219752_100000748023 [0,1,0,1,0,0|2,0,0]=4 15328 B12R1.15 CCC(C)CC(=O)N1CCCC1 240690a_100000188435_100000708755 [0,1,0,1,0,0|1,0,0]=3 15329 B12R1.15 CCC(C)CC(=O)N1CCCC1 527a_100000188435_100000708755 [0,1,0,1,0,0|1,0,0]=3 15330 B12R1.15 CCC(C)CC(=O)N1CCSC1 11a_100011215254_100000708755 [0,1,0,1,0,0|2,0,0]=4 15331 B12R1.15 CCC(C)CC(=O)N1CCSC1 240690a_100011215254_100000708755 [0,1,0,1,0,0|2,0,0]=4 15332 B12R1.15 CCC(C)CC(=O)N1CCSC1 527a_100011215254_100000708755 [0,1,0,1,0,0|2,0,0]=4 15333 B12R1.15 CCC(C)CC(=O)[C@@H]1CCCO1 1458a_100000686382_100000748023 [0,1,0,1,0,0|2,0,0]=4 15334 B12R1.15 CCC(C)NC(=O)C1CCCC1 11a_100000209981_100000210718 [0,1,0,1,0,0|2,0,0]=4 15335 B12R1.15 CCC(C)NC(=O)C1CCCC1 1626a_100000209981_100000210718 [0,1,0,1,0,0|2,0,0]=4 15336 B12R1.15 CCC(C)NC(=O)C1CCCC1 240690a_100000209981_100000210718 [0,1,0,1,0,0|2,0,0]=4 15337 B12R1.15 CCC(C)NC(=O)C1CCCC1 527a_100000209981_100000210718 [0,1,0,1,0,0|2,0,0]=4 15338 B12R1.15 CCC(C)NC(=O)N1CCCC1 2708a_100000209981_100000188435 [0,1,0,1,0,0|2,0,0]=4 15339 B12R1.15 CCC(C)NC(=O)N1CCCC1 273464a_100000209981_100000188435 [0,1,0,1,0,0|2,0,0]=4 15340 B12R1.15 CCC(O)CC(=O)C1CCCC1 1458a_100000210718_100011218378 [0,1,0,1,0,0|2,0,0]=4 15341 B12R1.15 CCC(O)CC(=O)C1CCCC1 1458a_100011667805_100000179811 [0,1,0,1,0,0|2,0,0]=4 15342 B12R1.15 CCC(O)CC(=O)N1CCCC1 240690a_100000188435_100011667805 [0,1,0,1,0,0|2,0,0]=4 15343 B12R1.15 CCN(C)CC(=O)C1CCCC1 1458a_100116209913_100000179811 [0,1,0,1,0,0|2,0,0]=4 15344 B12R1.15 CCN(C)CC(=O)N1CCCC1 2230a_100000225621_100000183516 [0,1,0,1,0,0|2,0,0]=4 15345 B12R1.15 CCN(C)CC(=O)N1CCCC1 2230a_100025772637_100000210202 [0,1,0,1,0,0|2,0,0]=4 15346 B12R1.15 CCN(C)CC(=O)N1CCCC1 240690a_100000188435_100116209913 [0,1,0,1,0,0|2,0,0]=4 15347 B12R1.15 CCN(C)CC(=O)N1CCCC1 269982a_100000225621_100000183516 [0,1,0,1,0,0|2,0,0]=4 15348 B12R1.15 CCN(C)CC(=O)N1CCCC1 269982a_100025772637_100000204670 [0,1,0,1,0,0|2,0,0]=4 15349 B12R1.15 CCN(C)CC(=O)N1CCCC1 527a_100000188435_100116209913 [0,1,0,1,0,0|2,0,0]=4 15350 B12R1.15 CC[C@H](C)CC(=O)C1=CCCC1 1458a_100000038896_100009816398 [0,1,0,1,0,0|1,0,1]=4 15351 B12R1.15 CC[C@H](C)CC(=O)C1CCCC1 1458a_100000210718_100009816398 [0,1,0,1,0,0|1,0,0]=3 15352 B12R1.15 CC[C@H](C)CC(=O)C1CCCS1 1458a_100012002731_100009816398 [0,1,0,1,0,0|2,0,0]=4 15353 B12R1.15 CC[C@H](C)CC(=O)C1CCOC1 1458a_100011219752_100009816398 [0,1,0,1,0,0|2,0,0]=4 15354 B12R1.15 CC[C@H](C)CC(=O)[C@@H]1CCCO1 1458a_100000686382_100009816398 [0,1,0,1,0,0|2,0,0]=4 15355 B12R1.15 CN(CF)CC(=O)N1CCCC1 269982a_100025772637_100015361967 [0,1,0,1,0,0|2,0,0]=4 15356 B12R1.15 C[C@@H](CO)CC(=O)C1=CCCC1 1458a_100000038896_100000059175 [0,1,0,1,0,0|1,0,1]=4 15357 B12R1.15 C[C@@H](CO)CC(=O)C1CCCC1 1458a_100000210718_100000059175 [0,1,0,1,0,0|1,0,0]=3 15358 B12R1.15 C[C@@H](CO)CC(=O)C1CCCS1 1458a_100012002731_100000059175 [0,1,0,1,0,0|2,0,0]=4 15359 B12R1.15 C[C@@H](CO)CC(=O)C1CCOC1 1458a_100011219752_100000059175 [0,1,0,1,0,0|2,0,0]=4 15360 B12R1.15 C[C@@H](CO)CC(=O)[C@@H]1CCCO1 1458a_100000686382_100000059175 [0,1,0,1,0,0|2,0,0]=4 15361 B12R1.15 C[C@H](CF)NC(=O)C1CCCC1 11a_100102880703_100000210718 [0,1,0,1,0,0|2,0,0]=4 15362 B12R1.15 C[C@H](CF)NC(=O)C1CCCC1 1626a_100102880703_100000210718 [0,1,0,1,0,0|2,0,0]=4 15363 B12R1.15 C[C@H](CF)NC(=O)C1CCCC1 240690a_100102880703_100000210718 [0,1,0,1,0,0|2,0,0]=4 15364 B12R1.15 C[C@H](CF)NC(=O)C1CCCC1 527a_100102880703_100000210718 [0,1,0,1,0,0|2,0,0]=4 15365 B12R1.15 C[C@H](CF)NC(=O)N1CCCC1 273464a_100102880703_100000188435 [0,1,0,1,0,0|2,0,0]=4 15366 B12R1.15 C[C@H](CO)NC(=O)C1CCCC1 240690a_100000737577_100000210718 [0,1,0,1,0,0|2,0,0]=4 15367 B12R1.15 C[C@H](CO)NC(=O)C1CCCC1 527a_100000737577_100000210718 [0,1,0,1,0,0|2,0,0]=4 15368 B12R1.15 C[C@H](CO)NC(=O)N1CCCC1 273464a_100000737577_100000188435 [0,1,0,1,0,0|2,0,0]=4 15369 B12R1.303 CCC(C)CC(=O)N[C@@H]1C[C@@H]1F 240690a_100015190264_100000708755 [0,1,0,1,0,0|2,0,0]=4 15370 B12R1.303 CCC(C)CC(=O)N[C@@H]1C[C@@H]1F 527a_100015190264_100000708755 [0,1,0,1,0,0|2,0,0]=4 15371 B12R1.303 CCC(C)CC(=O)N[C@@H]1C[C@H]1F 11a_100025746932_100000708755 [0,1,0,1,0,0|2,0,0]=4 15372 B12R1.303 CCC(C)CC(=O)N[C@@H]1C[C@H]1F 1626a_100025746932_100000708755 [0,1,0,1,0,0|2,0,0]=4 15373 B12R1.303 CCC(C)CC(=O)N[C@@H]1C[C@H]1F 240690a_100025746932_100000708755 [0,1,0,1,0,0|2,0,0]=4 15374 B12R1.303 CCC(C)CC(=O)N[C@@H]1C[C@H]1F 527a_100025746932_100000708755 [0,1,0,1,0,0|2,0,0]=4 15375 B12R1.304 C=CC(C)CC(=O)CC1CCC1 1458a_100011934298_100000763275 [0,1,0,1,0,0|1,0,1]=4 15376 B12R1.304 C=CC(C)CC(=O)NC1CCC1 11a_100000749019_100011934298 [0,1,0,1,0,0|1,0,1]=4 15377 B12R1.304 C=CC(C)CC(=O)NC1CCC1 1626a_100000749019_100011934298 [0,1,0,1,0,0|1,0,1]=4 15378 B12R1.304 C=CC(C)CC(=O)NC1CCC1 240690a_100000749019_100011934298 [0,1,0,1,0,0|1,0,1]=4 15379 B12R1.304 C=CC(C)CC(=O)NC1CCC1 527a_100000749019_100011934298 [0,1,0,1,0,0|1,0,1]=4 15380 B12R1.304 CCC(C)CC(=O)C=C1CCC1 1458a_100000686340_100000748023 [0,1,0,1,0,0|1,0,1]=4 15381 B12R1.304 CCC(C)CC(=O)CC1CCC1 1458a_100000708755_100000763275 [0,1,0,1,0,0|1,0,0]=3 15382 B12R1.304 CCC(C)CC(=O)CC1CCC1 1458a_100000763092_100000748023 [0,1,0,1,0,0|1,0,0]=3 15383 B12R1.304 CCC(C)CC(=O)CC1CCO1 1458a_100000708755_100000103362 [0,1,0,1,0,0|2,0,0]=4 15384 B12R1.304 CCC(C)CC(=O)CC1COC1 1458a_100000687760_100000748023 [0,1,0,1,0,0|2,0,0]=4 15385 B12R1.304 CCC(C)CC(=O)CC1COC1 1458a_100000708755_100010264016 [0,1,0,1,0,0|2,0,0]=4 15386 B12R1.304 CCC(C)CC(=O)NC1CCC1 11a_100000749019_100000708755 [0,1,0,1,0,0|1,0,0]=3 15387 B12R1.304 CCC(C)CC(=O)NC1CCC1 1626a_100000749019_100000708755 [0,1,0,1,0,0|1,0,0]=3 15388 B12R1.304 CCC(C)CC(=O)NC1CCC1 240690a_100000749019_100000708755 [0,1,0,1,0,0|1,0,0]=3 15389 B12R1.304 CCC(C)CC(=O)NC1CCC1 527a_100000749019_100000708755 [0,1,0,1,0,0|1,0,0]=3 15390 B12R1.304 CCC(C)CC(=O)NC1COC1 11a_100016991112_100000708755 [0,1,0,1,0,0|2,0,0]=4 15391 B12R1.304 CCC(C)CC(=O)NC1COC1 1626a_100016991112_100000708755 [0,1,0,1,0,0|2,0,0]=4 15392 B12R1.304 CCC(C)CC(=O)NC1COC1 240690a_100016991112_100000708755 [0,1,0,1,0,0|2,0,0]=4 15393 B12R1.304 CCC(C)CC(=O)NC1COC1 527a_100016991112_100000708755 [0,1,0,1,0,0|2,0,0]=4 15394 B12R1.304 CCC(C)CC(=O)NC1CSC1 11a_100016994217_100000708755 [0,1,0,1,0,0|2,0,0]=4 15395 B12R1.304 CCC(C)CC(=O)NC1CSC1 1626a_100016994217_100000708755 [0,1,0,1,0,0|2,0,0]=4 15396 B12R1.304 CCC(C)CC(=O)NC1CSC1 240690a_100016994217_100000708755 [0,1,0,1,0,0|2,0,0]=4 15397 B12R1.304 CCC(C)CC(=O)NC1CSC1 527a_100016994217_100000708755 [0,1,0,1,0,0|2,0,0]=4 15398 B12R1.304 CCC(C)NC(=O)CC1CCC1 11a_100000209981_100000763092 [0,1,0,1,0,0|2,0,0]=4 15399 B12R1.304 CCC(C)NC(=O)CC1CCC1 1626a_100000209981_100000763092 [0,1,0,1,0,0|2,0,0]=4 15400 B12R1.304 CCC(C)NC(=O)CC1CCC1 240690a_100000209981_100000763092 [0,1,0,1,0,0|2,0,0]=4 15401 B12R1.304 CCC(C)NC(=O)CC1CCC1 527a_100000209981_100000763092 [0,1,0,1,0,0|2,0,0]=4 15402 B12R1.304 CCC(C)NC(=O)NC1CCC1 2708a_100000209981_100000749019 [0,1,0,1,0,0|2,0,0]=4 15403 B12R1.304 CCC(C)NC(=O)NC1CCC1 273464a_100000209981_100000749019 [0,1,0,1,0,0|2,0,0]=4 15404 B12R1.304 CCC(C)NC(=O)NC1CCC1 273464a_100000749019_100000209981 [0,1,0,1,0,0|2,0,0]=4 15405 B12R1.304 CCC(C)NC(=O)NC1CCC1 512a_100000209981_100000749019 [0,1,0,1,0,0|2,0,0]=4 15406 B12R1.304 CCC(C)NC(=O)NC1CCC1 512a_100000749019_100000209981 [0,1,0,1,0,0|2,0,0]=4 15407 B12R1.304 CCC(O)CC(=O)CC1CCC1 1458a_100000763092_100011218378 [0,1,0,1,0,0|2,0,0]=4 15408 B12R1.304 CCC(O)CC(=O)CC1CCC1 1458a_100011667805_100000763275 [0,1,0,1,0,0|2,0,0]=4 15409 B12R1.304 CCC(O)CC(=O)NC1CCC1 1626a_100000749019_100011667805 [0,1,0,1,0,0|2,0,0]=4 15410 B12R1.304 CCC(O)CC(=O)NC1CCC1 240690a_100000749019_100011667805 [0,1,0,1,0,0|2,0,0]=4 15411 B12R1.304 CCN(C)CC(=O)CC1CCC1 1458a_100116209913_100000763275 [0,1,0,1,0,0|2,0,0]=4 15412 B12R1.304 CCN(C)CC(=O)NC1CCC1 240690a_100000749019_100116209913 [0,1,0,1,0,0|2,0,0]=4 15413 B12R1.304 CCN(C)CC(=O)NC1CCC1 527a_100000749019_100116209913 [0,1,0,1,0,0|2,0,0]=4 15414 B12R1.304 CC[C@H](C)CC(=O)C=C1CCC1 1458a_100000686340_100009816398 [0,1,0,1,0,0|1,0,1]=4 15415 B12R1.304 CC[C@H](C)CC(=O)CC1CCC1 1458a_100000763092_100009816398 [0,1,0,1,0,0|1,0,0]=3 15416 B12R1.304 CC[C@H](C)CC(=O)CC1COC1 1458a_100000687760_100009816398 [0,1,0,1,0,0|2,0,0]=4 15417 B12R1.304 C[C@@H](CO)CC(=O)C=C1CCC1 1458a_100000686340_100000059175 [0,1,0,1,0,0|1,0,1]=4 15418 B12R1.304 C[C@@H](CO)CC(=O)CC1CCC1 1458a_100000763092_100000059175 [0,1,0,1,0,0|1,0,0]=3 15419 B12R1.304 C[C@@H](CO)CC(=O)CC1COC1 1458a_100000687760_100000059175 [0,1,0,1,0,0|2,0,0]=4 15420 B12R1.304 C[C@H](CF)NC(=O)CC1CCC1 11a_100102880703_100000763092 [0,1,0,1,0,0|2,0,0]=4 15421 B12R1.304 C[C@H](CF)NC(=O)CC1CCC1 1626a_100102880703_100000763092 [0,1,0,1,0,0|2,0,0]=4 15422 B12R1.304 C[C@H](CF)NC(=O)CC1CCC1 240690a_100102880703_100000763092 [0,1,0,1,0,0|2,0,0]=4 15423 B12R1.304 C[C@H](CF)NC(=O)CC1CCC1 527a_100102880703_100000763092 [0,1,0,1,0,0|2,0,0]=4 15424 B12R1.304 C[C@H](CF)NC(=O)NC1CCC1 273464a_100000749019_100102880703 [0,1,0,1,0,0|2,0,0]=4 15425 B12R1.304 C[C@H](CF)NC(=O)NC1CCC1 273464a_100102880703_100000749019 [0,1,0,1,0,0|2,0,0]=4 15426 B12R1.304 C[C@H](CF)NC(=O)NC1CCC1 512a_100000749019_100102880703 [0,1,0,1,0,0|2,0,0]=4 15427 B12R1.304 C[C@H](CF)NC(=O)NC1CCC1 512a_100102880703_100000749019 [0,1,0,1,0,0|2,0,0]=4 15428 B12R1.304 C[C@H](CO)NC(=O)CC1CCC1 240690a_100000737577_100000763092 [0,1,0,1,0,0|2,0,0]=4 15429 B12R1.304 C[C@H](CO)NC(=O)CC1CCC1 527a_100000737577_100000763092 [0,1,0,1,0,0|2,0,0]=4 15430 B12R1.304 C[C@H](CO)NC(=O)NC1CCC1 273464a_100000737577_100000749019 [0,1,0,1,0,0|2,0,0]=4 15431 B12R1.304 C[C@H](CO)NC(=O)NC1CCC1 512a_100000737577_100000749019 [0,1,0,1,0,0|2,0,0]=4 15432 B12R1.304 C[C@H](CO)NC(=O)NC1CCC1 512a_100000749019_100000737577 [0,1,0,1,0,0|2,0,0]=4 15433 B12R1.305 C=CC(C)CC(=O)CCC1CC1 1458a_100011934298_100000694398 [0,1,0,1,0,0|1,0,1]=4 15434 B12R1.305 C=CC(C)CC(=O)NCC1CC1 11a_100000735609_100011934298 [0,1,0,1,0,0|1,0,1]=4 15435 B12R1.305 C=CC(C)CC(=O)NCC1CC1 1626a_100000735609_100011934298 [0,1,0,1,0,0|1,0,1]=4 15436 B12R1.305 C=CC(C)CC(=O)NCC1CC1 240690a_100000735609_100011934298 [0,1,0,1,0,0|1,0,1]=4 15437 B12R1.305 C=CC(C)CC(=O)NCC1CC1 527a_100000735609_100011934298 [0,1,0,1,0,0|1,0,1]=4 15438 B12R1.305 CCC(C)CC(=O)C=CC1CC1 1458a_100102529529_100000748023 [0,1,0,1,0,0|1,0,1]=4 15439 B12R1.305 CCC(C)CC(=O)CCC1CC1 1458a_100000708755_100000694398 [0,1,0,1,0,0|1,0,0]=3 15440 B12R1.305 CCC(C)CC(=O)CCC1CC1 1458a_100000756386_100000748023 [0,1,0,1,0,0|1,0,0]=3 15441 B12R1.305 CCC(C)CC(=O)CCC1CO1 1458a_100000708755_100000732470 [0,1,0,1,0,0|2,0,0]=4 15442 B12R1.305 CCC(C)CC(=O)NCC1CC1 11a_100000735609_100000708755 [0,1,0,1,0,0|1,0,0]=3 15443 B12R1.305 CCC(C)CC(=O)NCC1CC1 1626a_100000735609_100000708755 [0,1,0,1,0,0|1,0,0]=3 15444 B12R1.305 CCC(C)CC(=O)NCC1CC1 240690a_100000735609_100000708755 [0,1,0,1,0,0|1,0,0]=3 15445 B12R1.305 CCC(C)CC(=O)NCC1CC1 527a_100000735609_100000708755 [0,1,0,1,0,0|1,0,0]=3 15446 B12R1.305 CCC(C)CC(=O)NNC1CC1 22a_100000701032_100000708755 [0,1,0,1,0,0|2,0,0]=4 15447 B12R1.305 CCC(C)NC(=O)CCC1CC1 11a_100000209981_100000756386 [0,1,0,1,0,0|2,0,0]=4 15448 B12R1.305 CCC(C)NC(=O)CCC1CC1 1626a_100000209981_100000756386 [0,1,0,1,0,0|2,0,0]=4 15449 B12R1.305 CCC(C)NC(=O)CCC1CC1 240690a_100000209981_100000756386 [0,1,0,1,0,0|2,0,0]=4 15450 B12R1.305 CCC(C)NC(=O)CCC1CC1 527a_100000209981_100000756386 [0,1,0,1,0,0|2,0,0]=4 15451 B12R1.305 CCC(C)NC(=O)NCC1CC1 2708a_100000209981_100000735609 [0,1,0,1,0,0|2,0,0]=4 15452 B12R1.305 CCC(C)NC(=O)NCC1CC1 2708a_100000735609_100000209981 [0,1,0,1,0,0|2,0,0]=4 15453 B12R1.305 CCC(C)NC(=O)NCC1CC1 273464a_100000209981_100000735609 [0,1,0,1,0,0|2,0,0]=4 15454 B12R1.305 CCC(C)NC(=O)NCC1CC1 273464a_100000735609_100000209981 [0,1,0,1,0,0|2,0,0]=4 15455 B12R1.305 CCC(C)NC(=O)NCC1CC1 512a_100000209981_100000735609 [0,1,0,1,0,0|2,0,0]=4 15456 B12R1.305 CCC(C)NC(=O)NCC1CC1 512a_100000735609_100000209981 [0,1,0,1,0,0|2,0,0]=4 15457 B12R1.305 CCC(O)CC(=O)CCC1CC1 1458a_100000756386_100011218378 [0,1,0,1,0,0|2,0,0]=4 15458 B12R1.305 CCC(O)CC(=O)CCC1CC1 1458a_100011667805_100000694398 [0,1,0,1,0,0|2,0,0]=4 15459 B12R1.305 CCC(O)CC(=O)NCC1CC1 1626a_100000735609_100011667805 [0,1,0,1,0,0|2,0,0]=4 15460 B12R1.305 CCC(O)CC(=O)NCC1CC1 240690a_100000735609_100011667805 [0,1,0,1,0,0|2,0,0]=4 15461 B12R1.305 CCN(C)CC(=O)CCC1CC1 1458a_100116209913_100000694398 [0,1,0,1,0,0|2,0,0]=4 15462 B12R1.305 CCN(C)CC(=O)NCC1CC1 240690a_100000735609_100116209913 [0,1,0,1,0,0|2,0,0]=4 15463 B12R1.305 CCN(C)CC(=O)NCC1CC1 527a_100000735609_100116209913 [0,1,0,1,0,0|2,0,0]=4 15464 B12R1.305 CC[C@H](C)CC(=O)C=CC1CC1 1458a_100102529529_100009816398 [0,1,0,1,0,0|1,0,1]=4 15465 B12R1.305 CC[C@H](C)CC(=O)CCC1CC1 1458a_100000756386_100009816398 [0,1,0,1,0,0|1,0,0]=3 15466 B12R1.305 C[C@@H](CO)CC(=O)C=CC1CC1 1458a_100102529529_100000059175 [0,1,0,1,0,0|1,0,1]=4 15467 B12R1.305 C[C@@H](CO)CC(=O)CCC1CC1 1458a_100000756386_100000059175 [0,1,0,1,0,0|1,0,0]=3 15468 B12R1.305 C[C@H](CF)NC(=O)CCC1CC1 11a_100102880703_100000756386 [0,1,0,1,0,0|2,0,0]=4 15469 B12R1.305 C[C@H](CF)NC(=O)CCC1CC1 1626a_100102880703_100000756386 [0,1,0,1,0,0|2,0,0]=4 15470 B12R1.305 C[C@H](CF)NC(=O)CCC1CC1 240690a_100102880703_100000756386 [0,1,0,1,0,0|2,0,0]=4 15471 B12R1.305 C[C@H](CF)NC(=O)CCC1CC1 527a_100102880703_100000756386 [0,1,0,1,0,0|2,0,0]=4 15472 B12R1.305 C[C@H](CF)NC(=O)NCC1CC1 2708a_100000735609_100102880703 [0,1,0,1,0,0|2,0,0]=4 15473 B12R1.305 C[C@H](CF)NC(=O)NCC1CC1 273464a_100000735609_100102880703 [0,1,0,1,0,0|2,0,0]=4 15474 B12R1.305 C[C@H](CF)NC(=O)NCC1CC1 273464a_100102880703_100000735609 [0,1,0,1,0,0|2,0,0]=4 15475 B12R1.305 C[C@H](CF)NC(=O)NCC1CC1 512a_100000735609_100102880703 [0,1,0,1,0,0|2,0,0]=4 15476 B12R1.305 C[C@H](CF)NC(=O)NCC1CC1 512a_100102880703_100000735609 [0,1,0,1,0,0|2,0,0]=4 15477 B12R1.305 C[C@H](CO)NC(=O)CCC1CC1 240690a_100000737577_100000756386 [0,1,0,1,0,0|2,0,0]=4 15478 B12R1.305 C[C@H](CO)NC(=O)CCC1CC1 527a_100000737577_100000756386 [0,1,0,1,0,0|2,0,0]=4 15479 B12R1.305 C[C@H](CO)NC(=O)NCC1CC1 2708a_100000735609_100000737577 [0,1,0,1,0,0|2,0,0]=4 15480 B12R1.305 C[C@H](CO)NC(=O)NCC1CC1 273464a_100000737577_100000735609 [0,1,0,1,0,0|2,0,0]=4 15481 B12R1.305 C[C@H](CO)NC(=O)NCC1CC1 512a_100000735609_100000737577 [0,1,0,1,0,0|2,0,0]=4 15482 B12R1.305 C[C@H](CO)NC(=O)NCC1CC1 512a_100000737577_100000735609 [0,1,0,1,0,0|2,0,0]=4 15483 B12R1.306 C=CC(C)CC(=O)N1CCC1C 11a_100000755817_100011934298 [0,1,0,1,0,0|1,0,1]=4 15484 B12R1.306 C=CC(C)CC(=O)N1CCC1C 240690a_100000755817_100011934298 [0,1,0,1,0,0|1,0,1]=4 15485 B12R1.306 C=CC(C)CC(=O)N1CCC1C 527a_100000755817_100011934298 [0,1,0,1,0,0|1,0,1]=4 15486 B12R1.306 CC1CCN1C(=O)N[C@H](C)CF 273464a_100102880703_100000755817 [0,1,0,1,0,0|2,0,0]=4 15487 B12R1.306 CC1CCN1C(=O)N[C@H](C)CO 273464a_100000737577_100000755817 [0,1,0,1,0,0|2,0,0]=4 15488 B12R1.306 CCC(C)CC(=O)N1CCC1C 11a_100000755817_100000708755 [0,1,0,1,0,0|1,0,0]=3 15489 B12R1.306 CCC(C)CC(=O)N1CCC1C 240690a_100000755817_100000708755 [0,1,0,1,0,0|1,0,0]=3 15490 B12R1.306 CCC(C)CC(=O)N1CCC1C 527a_100000755817_100000708755 [0,1,0,1,0,0|1,0,0]=3 15491 B12R1.306 CCC(C)NC(=O)N1CCC1C 2708a_100000209981_100000755817 [0,1,0,1,0,0|2,0,0]=4 15492 B12R1.306 CCC(C)NC(=O)N1CCC1C 273464a_100000209981_100000755817 [0,1,0,1,0,0|2,0,0]=4 15493 B12R1.306 CCC(O)CC(=O)N1CCC1C 240690a_100000755817_100011667805 [0,1,0,1,0,0|2,0,0]=4 15494 B12R1.306 CCN(C)CC(=O)N1CCC1C 240690a_100000755817_100116209913 [0,1,0,1,0,0|2,0,0]=4 15495 B12R1.306 CCN(C)CC(=O)N1CCC1C 527a_100000755817_100116209913 [0,1,0,1,0,0|2,0,0]=4 15496 B12R1.365 CCN(C)C1CCCCCC1=O 269982a_100000225621_100000243696 [0,1,0,1,0,0|2,0,0]=4 15497 B12R1.365 CCN(C)C1CCCCNC1=O 2230a_100000225621_100000735217 [0,1,0,1,0,0|2,0,0]=4 15498 B12R1.365 CCN(C)C1CCCCNC1=O 269982a_100000225621_100000735217 [0,1,0,1,0,0|2,0,0]=4 15499 B12R1.481 CCC1CC1C(=O)CCCCF 1458a_200011661523_100000729493 [0,1,0,1,0,0|2,0,0]=4 15500 B12R1.481 CCC1CC1C(=O)CCCCO 1458a_200011661523_100000210776 [0,1,0,1,0,0|2,0,0]=4 15501 B12R1.481 CCC1CC1C(=O)CCCOC 1458a_200011661523_100000740836 [0,1,0,1,0,0|2,0,0]=4 15502 B12R1.481 CCC1CC1C(=O)NCCCF 11a_100015189416_200011661523 [0,1,0,1,0,0|2,0,0]=4 15503 B12R1.481 CCC1CC1C(=O)NCCCF 1626a_100015189416_200011661523 [0,1,0,1,0,0|2,0,0]=4 15504 B12R1.481 CCC1CC1C(=O)NCCCF 240690a_100015189416_200011661523 [0,1,0,1,0,0|2,0,0]=4 15505 B12R1.481 CCC1CC1C(=O)NCCCF 527a_100015189416_200011661523 [0,1,0,1,0,0|2,0,0]=4 15506 B12R1.481 CCC1CC1C(=O)NCCCO 240690a_100000182051_200011661523 [0,1,0,1,0,0|2,0,0]=4 15507 B12R1.481 CCC1CC1C(=O)NCCCO 527a_100000182051_200011661523 [0,1,0,1,0,0|2,0,0]=4 15508 B12R1.481 CCC1CC1C(=O)NCCOC 1626a_100000209980_200011661523 [0,1,0,1,0,0|2,0,0]=4 15509 B12R1.481 CCC1CC1C(=O)NCCOC 240690a_100000209980_200011661523 [0,1,0,1,0,0|2,0,0]=4 15510 B12R1.481 CCC1CC1C(=O)NCCOC 527a_100000209980_200011661523 [0,1,0,1,0,0|2,0,0]=4 15511 B12R1.481 CCC1CC1C(=O)NCCSC 11a_100020590264_200011661523 [0,1,0,1,0,0|2,0,0]=4 15512 B12R1.481 CCC1CC1C(=O)NCCSC 1626a_100020590264_200011661523 [0,1,0,1,0,0|2,0,0]=4 15513 B12R1.481 CCC1CC1C(=O)NCCSC 240690a_100020590264_200011661523 [0,1,0,1,0,0|2,0,0]=4 15514 B12R1.481 CCC1CC1C(=O)NCCSC 527a_100020590264_200011661523 [0,1,0,1,0,0|2,0,0]=4 15515 B12R1.481 CCCCCC(=O)C1CC1CC 1458a_200011661523_100000210326 [0,1,0,1,0,0|1,0,0]=3 15516 B12R1.481 CCCCCC(=O)[C@@H]1C[C@H]1C#N 1458a_100015294237_100000210326 [0,1,0,1,0,0|1,0,1]=4 15517 B12R1.481 CCCCNC(=O)C1CC1CC 11a_100000102301_200011661523 [0,1,0,1,0,0|1,0,0]=3 15518 B12R1.481 CCCCNC(=O)C1CC1CC 1626a_100000102301_200011661523 [0,1,0,1,0,0|1,0,0]=3 15519 B12R1.481 CCCCNC(=O)C1CC1CC 240690a_100000102301_200011661523 [0,1,0,1,0,0|1,0,0]=3 15520 B12R1.481 CCCCNC(=O)C1CC1CC 527a_100000102301_200011661523 [0,1,0,1,0,0|1,0,0]=3 15521 B12R1.481 CCCCNC(=O)[C@@H]1C[C@H]1C#N 11a_100000102301_100015294237 [0,1,0,1,0,0|1,0,1]=4 15522 B12R1.481 CCCCNC(=O)[C@@H]1C[C@H]1C#N 1626a_100000102301_100015294237 [0,1,0,1,0,0|1,0,1]=4 15523 B12R1.481 CCCCNC(=O)[C@@H]1C[C@H]1C#N 240690a_100000102301_100015294237 [0,1,0,1,0,0|1,0,1]=4 15524 B12R1.481 CCCNNC(=O)C1CC1CC 22a_100000740057_200011661523 [0,1,0,1,0,0|2,0,0]=4 15525 B12R1.481 CCOCCC(=O)C1CC1CC 1458a_200011661523_100011215890 [0,1,0,1,0,0|2,0,0]=4 15526 B12R1.481 CCSCCC(=O)C1CC1CC 1458a_200011661523_100000757381 [0,1,0,1,0,0|2,0,0]=4 15527 B12R1.483 CCCC#CC(=O)CC1CCC1 1458a_200011218047_100000763275 [0,1,0,1,0,0|1,0,1]=4 15528 B12R1.483 CCCC#CC(=O)CC1CCO1 1458a_200011218047_100000103362 [0,1,0,1,0,0|1,0,1]=4 15529 B12R1.483 CCCC#CC(=O)CC1COC1 1458a_200011218047_100010264016 [0,1,0,1,0,0|1,0,1]=4 15530 B12R1.483 CCCC=CC(=O)CC1CCC1 1458a_100000212230_100000763275 [0,1,0,1,0,0|1,0,1]=4 15531 B12R1.483 CCCC=CC(=O)CC1CCO1 1458a_100000212230_100000103362 [0,1,0,1,0,0|1,0,1]=4 15532 B12R1.483 CCCC=CC(=O)CC1COC1 1458a_100000212230_100010264016 [0,1,0,1,0,0|1,0,1]=4 15533 B12R1.483 CCCCCC(=O)CC1CCC1 1458a_100000212188_100000763275 [0,1,0,1,0,0|1,0,0]=3 15534 B12R1.483 CCCCCC(=O)CC1CCC1 1458a_100000763092_100000210326 [0,1,0,1,0,0|1,0,0]=3 15535 B12R1.483 CCCCCC(=O)CC1CCO1 1458a_100000212188_100000103362 [0,1,0,1,0,0|1,0,0]=3 15536 B12R1.483 CCCCCC(=O)CC1COC1 1458a_100000212188_100010264016 [0,1,0,1,0,0|1,0,0]=3 15537 B12R1.483 CCCCCC(=O)CC1COC1 1458a_100000687760_100000210326 [0,1,0,1,0,0|1,0,0]=3 15538 B12R1.483 CCCCCC(=O)CN1CCC1 269982a_100000754969_200012276598 [0,1,0,1,0,0|2,0,0]=4 15539 B12R1.483 CCCCCC(=O)NC1CCC1 11a_100000749019_100000212188 [0,1,0,1,0,0|2,0,0]=4 15540 B12R1.483 CCCCCC(=O)NC1CCC1 1626a_100000749019_100000212188 [0,1,0,1,0,0|2,0,0]=4 15541 B12R1.483 CCCCCC(=O)NC1CCC1 240690a_100000749019_100000212188 [0,1,0,1,0,0|2,0,0]=4 15542 B12R1.483 CCCCCC(=O)NC1CCC1 527a_100000749019_100000212188 [0,1,0,1,0,0|2,0,0]=4 15543 B12R1.483 CCCCCC(=O)NC1COC1 11a_100016991112_100000212188 [0,1,0,1,0,0|2,0,0]=4 15544 B12R1.483 CCCCCC(=O)NC1COC1 1626a_100016991112_100000212188 [0,1,0,1,0,0|2,0,0]=4 15545 B12R1.483 CCCCCC(=O)NC1COC1 240690a_100016991112_100000212188 [0,1,0,1,0,0|2,0,0]=4 15546 B12R1.483 CCCCCC(=O)NC1COC1 527a_100016991112_100000212188 [0,1,0,1,0,0|2,0,0]=4 15547 B12R1.483 CCCCCC(=O)NC1CSC1 11a_100016994217_100000212188 [0,1,0,1,0,0|2,0,0]=4 15548 B12R1.483 CCCCCC(=O)NC1CSC1 1626a_100016994217_100000212188 [0,1,0,1,0,0|2,0,0]=4 15549 B12R1.483 CCCCCC(=O)NC1CSC1 240690a_100016994217_100000212188 [0,1,0,1,0,0|2,0,0]=4 15550 B12R1.483 CCCCCC(=O)NC1CSC1 527a_100016994217_100000212188 [0,1,0,1,0,0|2,0,0]=4 15551 B12R1.483 CCCCNC(=O)CC1CCC1 11a_100000102301_100000763092 [0,1,0,1,0,0|1,0,0]=3 15552 B12R1.483 CCCCNC(=O)CC1CCC1 1626a_100000102301_100000763092 [0,1,0,1,0,0|1,0,0]=3 15553 B12R1.483 CCCCNC(=O)CC1CCC1 240690a_100000102301_100000763092 [0,1,0,1,0,0|1,0,0]=3 15554 B12R1.483 CCCCNC(=O)CC1CCC1 527a_100000102301_100000763092 [0,1,0,1,0,0|1,0,0]=3 15555 B12R1.483 CCCCNC(=O)CC1COC1 11a_100000102301_100000687760 [0,1,0,1,0,0|1,0,0]=3 15556 B12R1.483 CCCCNC(=O)CC1COC1 1626a_100000102301_100000687760 [0,1,0,1,0,0|1,0,0]=3 15557 B12R1.483 CCCCNC(=O)CN1CCC1 269982a_100000754969_100000182744 [0,1,0,1,0,0|2,0,0]=4 15558 B12R1.483 CCCCNC(=O)NC1CCC1 2708a_100000102301_100000749019 [0,1,0,1,0,0|2,0,0]=4 15559 B12R1.483 CCCCNC(=O)NC1CCC1 273464a_100000102301_100000749019 [0,1,0,1,0,0|2,0,0]=4 15560 B12R1.483 CCCCNC(=O)NC1CCC1 273464a_100000749019_100000102301 [0,1,0,1,0,0|2,0,0]=4 15561 B12R1.483 CCCCNC(=O)NC1CCC1 512a_100000102301_100000749019 [0,1,0,1,0,0|2,0,0]=4 15562 B12R1.483 CCCCNC(=O)NC1CCC1 512a_100000749019_100000102301 [0,1,0,1,0,0|2,0,0]=4 15563 B12R1.483 CCCCNC(=O)NC1COC1 2708a_100000102301_100016991112 [0,1,0,1,0,0|2,0,0]=4 15564 B12R1.483 CCCCNC(=O)NC1COC1 2708a_100016991112_100000102301 [0,1,0,1,0,0|2,0,0]=4 15565 B12R1.483 CCCCNC(=O)NC1COC1 273464a_100000102301_100016991112 [0,1,0,1,0,0|2,0,0]=4 15566 B12R1.483 CCCCNC(=O)NC1COC1 273464a_100016991112_100000102301 [0,1,0,1,0,0|2,0,0]=4 15567 B12R1.483 CCCCNC(=O)NC1COC1 512a_100000102301_100016991112 [0,1,0,1,0,0|2,0,0]=4 15568 B12R1.483 CCCCNC(=O)NC1COC1 512a_100016991112_100000102301 [0,1,0,1,0,0|2,0,0]=4 15569 B12R1.483 CCCCNC(=O)NC1CSC1 2708a_100000102301_100016994217 [0,1,0,1,0,0|2,0,0]=4 15570 B12R1.483 CCCCNC(=O)NC1CSC1 2708a_100016994217_100000102301 [0,1,0,1,0,0|2,0,0]=4 15571 B12R1.483 CCCCNC(=O)NC1CSC1 273464a_100000102301_100016994217 [0,1,0,1,0,0|2,0,0]=4 15572 B12R1.483 CCCCNC(=O)NC1CSC1 273464a_100016994217_100000102301 [0,1,0,1,0,0|2,0,0]=4 15573 B12R1.483 CCCCNC(=O)NC1CSC1 512a_100000102301_100016994217 [0,1,0,1,0,0|2,0,0]=4 15574 B12R1.483 CCCCNC(=O)NC1CSC1 512a_100016994217_100000102301 [0,1,0,1,0,0|2,0,0]=4 15575 B12R1.483 CCCCOC(=O)CN1CCC1 269982a_100000754969_100000211628 [0,1,0,1,0,0|1,0,0]=3 15576 B12R1.483 CCCNNC(=O)CC1CCC1 22a_100000740057_100000763092 [0,1,0,1,0,0|2,0,0]=4 15577 B12R1.483 CCCNNC(=O)CC1COC1 22a_100000740057_100000687760 [0,1,0,1,0,0|2,0,0]=4 15578 B12R1.483 CCCOCC(=O)CC1CCC1 1458a_100000745993_100000763275 [0,1,0,1,0,0|2,0,0]=4 15579 B12R1.483 CCCOCC(=O)CC1CCO1 1458a_100000745993_100000103362 [0,1,0,1,0,0|2,0,0]=4 15580 B12R1.483 CCCOCC(=O)CC1COC1 1458a_100000745993_100010264016 [0,1,0,1,0,0|2,0,0]=4 15581 B12R1.483 CCCSCC(=O)CC1CCC1 1458a_100000217233_100000763275 [0,1,0,1,0,0|2,0,0]=4 15582 B12R1.483 CCCSCC(=O)CC1CCO1 1458a_100000217233_100000103362 [0,1,0,1,0,0|2,0,0]=4 15583 B12R1.483 CCCSCC(=O)CC1COC1 1458a_100000217233_100010264016 [0,1,0,1,0,0|2,0,0]=4 15584 B12R1.483 CCOCCC(=O)CC1CCC1 1458a_100000749530_100000763275 [0,1,0,1,0,0|2,0,0]=4 15585 B12R1.483 CCOCCC(=O)CC1CCC1 1458a_100000763092_100011215890 [0,1,0,1,0,0|2,0,0]=4 15586 B12R1.483 CCOCCC(=O)CC1CCO1 1458a_100000749530_100000103362 [0,1,0,1,0,0|2,0,0]=4 15587 B12R1.483 CCOCCC(=O)CC1COC1 1458a_100000687760_100011215890 [0,1,0,1,0,0|2,0,0]=4 15588 B12R1.483 CCOCCC(=O)CC1COC1 1458a_100000749530_100010264016 [0,1,0,1,0,0|2,0,0]=4 15589 B12R1.483 CCSCCC(=O)CC1CCC1 1458a_100000230768_100000763275 [0,1,0,1,0,0|2,0,0]=4 15590 B12R1.483 CCSCCC(=O)CC1CCC1 1458a_100000763092_100000757381 [0,1,0,1,0,0|2,0,0]=4 15591 B12R1.483 CCSCCC(=O)CC1CCO1 1458a_100000230768_100000103362 [0,1,0,1,0,0|2,0,0]=4 15592 B12R1.483 CCSCCC(=O)CC1COC1 1458a_100000230768_100010264016 [0,1,0,1,0,0|2,0,0]=4 15593 B12R1.483 CCSCCC(=O)CC1COC1 1458a_100000687760_100000757381 [0,1,0,1,0,0|2,0,0]=4 15594 B12R1.483 COCCCC(=O)CC1CCC1 1458a_100000741012_100000763275 [0,1,0,1,0,0|2,0,0]=4 15595 B12R1.483 COCCCC(=O)CC1CCC1 1458a_100000763092_100000740836 [0,1,0,1,0,0|2,0,0]=4 15596 B12R1.483 COCCCC(=O)CC1CCO1 1458a_100000741012_100000103362 [0,1,0,1,0,0|2,0,0]=4 15597 B12R1.483 COCCCC(=O)CC1COC1 1458a_100000687760_100000740836 [0,1,0,1,0,0|2,0,0]=4 15598 B12R1.483 COCCCC(=O)CC1COC1 1458a_100000741012_100010264016 [0,1,0,1,0,0|2,0,0]=4 15599 B12R1.483 COCCNC(=O)CC1CCC1 1626a_100000209980_100000763092 [0,1,0,1,0,0|2,0,0]=4 15600 B12R1.483 COCCNC(=O)CC1CCC1 240690a_100000209980_100000763092 [0,1,0,1,0,0|2,0,0]=4 15601 B12R1.483 COCCNC(=O)CC1CCC1 527a_100000209980_100000763092 [0,1,0,1,0,0|2,0,0]=4 15602 B12R1.483 COCCNC(=O)CC1COC1 1626a_100000209980_100000687760 [0,1,0,1,0,0|2,0,0]=4 15603 B12R1.483 COCCOC(=O)CN1CCC1 269982a_100000754969_200000040189 [0,1,0,1,0,0|2,0,0]=4 15604 B12R1.483 CSCCCC(=O)CC1CCC1 1458a_100000173376_100000763275 [0,1,0,1,0,0|2,0,0]=4 15605 B12R1.483 CSCCCC(=O)CC1CCO1 1458a_100000173376_100000103362 [0,1,0,1,0,0|2,0,0]=4 15606 B12R1.483 CSCCCC(=O)CC1COC1 1458a_100000173376_100010264016 [0,1,0,1,0,0|2,0,0]=4 15607 B12R1.483 CSCCNC(=O)CC1CCC1 11a_100020590264_100000763092 [0,1,0,1,0,0|2,0,0]=4 15608 B12R1.483 CSCCNC(=O)CC1CCC1 1626a_100020590264_100000763092 [0,1,0,1,0,0|2,0,0]=4 15609 B12R1.483 CSCCNC(=O)CC1CCC1 240690a_100020590264_100000763092 [0,1,0,1,0,0|2,0,0]=4 15610 B12R1.483 CSCCNC(=O)CC1CCC1 527a_100020590264_100000763092 [0,1,0,1,0,0|2,0,0]=4 15611 B12R1.483 CSCCNC(=O)CC1COC1 11a_100020590264_100000687760 [0,1,0,1,0,0|2,0,0]=4 15612 B12R1.483 CSCCNC(=O)CC1COC1 1626a_100020590264_100000687760 [0,1,0,1,0,0|2,0,0]=4 15613 B12R1.483 O=C(CC1CCC1)NCCCF 11a_100015189416_100000763092 [0,1,0,1,0,0|2,0,0]=4 15614 B12R1.483 O=C(CC1CCC1)NCCCF 1626a_100015189416_100000763092 [0,1,0,1,0,0|2,0,0]=4 15615 B12R1.483 O=C(CC1CCC1)NCCCF 240690a_100015189416_100000763092 [0,1,0,1,0,0|2,0,0]=4 15616 B12R1.483 O=C(CC1CCC1)NCCCF 527a_100015189416_100000763092 [0,1,0,1,0,0|2,0,0]=4 15617 B12R1.483 O=C(CC1CCC1)NCCCO 240690a_100000182051_100000763092 [0,1,0,1,0,0|2,0,0]=4 15618 B12R1.483 O=C(CC1CCC1)NCCCO 527a_100000182051_100000763092 [0,1,0,1,0,0|2,0,0]=4 15619 B12R1.483 O=C(CC1COC1)NCCCF 11a_100015189416_100000687760 [0,1,0,1,0,0|2,0,0]=4 15620 B12R1.483 O=C(CC1COC1)NCCCF 1626a_100015189416_100000687760 [0,1,0,1,0,0|2,0,0]=4 15621 B12R1.483 O=C(CCCCF)CC1CCC1 1458a_100000763092_100000729493 [0,1,0,1,0,0|2,0,0]=4 15622 B12R1.483 O=C(CCCCF)CC1COC1 1458a_100000687760_100000729493 [0,1,0,1,0,0|2,0,0]=4 15623 B12R1.483 O=C(CCCCO)CC1CCC1 1458a_100000695505_100000763275 [0,1,0,1,0,0|2,0,0]=4 15624 B12R1.483 O=C(CCCCO)CC1CCC1 1458a_100000763092_100000210776 [0,1,0,1,0,0|2,0,0]=4 15625 B12R1.483 O=C(CCCCO)CC1CCO1 1458a_100000695505_100000103362 [0,1,0,1,0,0|2,0,0]=4 15626 B12R1.483 O=C(CCCCO)CC1COC1 1458a_100000687760_100000210776 [0,1,0,1,0,0|2,0,0]=4 15627 B12R1.483 O=C(CCCCO)CC1COC1 1458a_100000695505_100010264016 [0,1,0,1,0,0|2,0,0]=4 15628 B12R1.900 CC1(CC1)CC(=O)CCCCF 1458a_100000112800_100000729493 [0,1,0,1,0,0|2,0,0]=4 15629 B12R1.900 CC1(CC1)CC(=O)CCCCO 1458a_100000112800_100000210776 [0,1,0,1,0,0|2,0,0]=4 15630 B12R1.900 CC1(CC1)CC(=O)NCCCF 11a_100015189416_100000112800 [0,1,0,1,0,0|2,0,0]=4 15631 B12R1.900 CC1(CC1)CC(=O)NCCCF 1626a_100015189416_100000112800 [0,1,0,1,0,0|2,0,0]=4 15632 B12R1.900 CC1(CC1)CC(=O)NCCCF 240690a_100015189416_100000112800 [0,1,0,1,0,0|2,0,0]=4 15633 B12R1.900 CC1(CC1)CC(=O)NCCCF 527a_100015189416_100000112800 [0,1,0,1,0,0|2,0,0]=4 15634 B12R1.900 CC1(CC1)CC(=O)NCCCO 240690a_100000182051_100000112800 [0,1,0,1,0,0|2,0,0]=4 15635 B12R1.900 CC1(CC1)CC(=O)NCCCO 527a_100000182051_100000112800 [0,1,0,1,0,0|2,0,0]=4 15636 B12R1.900 CC1(CO1)CC(=O)CCCCO 1458a_100000695505_100000760498 [0,1,0,1,0,0|2,0,0]=4 15637 B12R1.900 CCCC#CC(=O)CC1(CO1)C 1458a_200011218047_100000760498 [0,1,0,1,0,0|1,0,1]=4 15638 B12R1.900 CCCC=CC(=O)CC1(CO1)C 1458a_100000212230_100000760498 [0,1,0,1,0,0|1,0,1]=4 15639 B12R1.900 CCCCCC(=O)CC1(CC1)C 1458a_100000112800_100000210326 [0,1,0,1,0,0|1,0,0]=3 15640 B12R1.900 CCCCCC(=O)CC1(CO1)C 1458a_100000212188_100000760498 [0,1,0,1,0,0|1,0,0]=3 15641 B12R1.900 CCCCCC(=O)NC1(CC1)C 11a_100000757604_100000212188 [0,1,0,1,0,0|2,0,0]=4 15642 B12R1.900 CCCCCC(=O)NC1(CC1)C 1626a_100000757604_100000212188 [0,1,0,1,0,0|2,0,0]=4 15643 B12R1.900 CCCCCC(=O)NC1(CC1)C 240690a_100000757604_100000212188 [0,1,0,1,0,0|2,0,0]=4 15644 B12R1.900 CCCCCC(=O)NC1(CC1)C 527a_100000757604_100000212188 [0,1,0,1,0,0|2,0,0]=4 15645 B12R1.900 CCCCNC(=O)CC1(CC1)C 11a_100000102301_100000112800 [0,1,0,1,0,0|1,0,0]=3 15646 B12R1.900 CCCCNC(=O)CC1(CC1)C 1626a_100000102301_100000112800 [0,1,0,1,0,0|1,0,0]=3 15647 B12R1.900 CCCCNC(=O)CC1(CC1)C 240690a_100000102301_100000112800 [0,1,0,1,0,0|1,0,0]=3 15648 B12R1.900 CCCCNC(=O)CC1(CC1)C 527a_100000102301_100000112800 [0,1,0,1,0,0|1,0,0]=3 15649 B12R1.900 CCCCNC(=O)NC1(CC1)C 2708a_100000102301_100000757604 [0,1,0,1,0,0|2,0,0]=4 15650 B12R1.900 CCCCNC(=O)NC1(CC1)C 273464a_100000102301_100000757604 [0,1,0,1,0,0|2,0,0]=4 15651 B12R1.900 CCCCNC(=O)NC1(CC1)C 273464a_100000757604_100000102301 [0,1,0,1,0,0|2,0,0]=4 15652 B12R1.900 CCCCNC(=O)NC1(CC1)C 512a_100000757604_100000102301 [0,1,0,1,0,0|2,0,0]=4 15653 B12R1.900 CCCNNC(=O)CC1(CC1)C 22a_100000740057_100000112800 [0,1,0,1,0,0|2,0,0]=4 15654 B12R1.900 CCCOCC(=O)CC1(CO1)C 1458a_100000745993_100000760498 [0,1,0,1,0,0|2,0,0]=4 15655 B12R1.900 CCCSCC(=O)CC1(CO1)C 1458a_100000217233_100000760498 [0,1,0,1,0,0|2,0,0]=4 15656 B12R1.900 CCOCCC(=O)CC1(CC1)C 1458a_100000112800_100011215890 [0,1,0,1,0,0|2,0,0]=4 15657 B12R1.900 CCOCCC(=O)CC1(CO1)C 1458a_100000749530_100000760498 [0,1,0,1,0,0|2,0,0]=4 15658 B12R1.900 CCSCCC(=O)CC1(CC1)C 1458a_100000112800_100000757381 [0,1,0,1,0,0|2,0,0]=4 15659 B12R1.900 CCSCCC(=O)CC1(CO1)C 1458a_100000230768_100000760498 [0,1,0,1,0,0|2,0,0]=4 15660 B12R1.900 COCCCC(=O)CC1(CC1)C 1458a_100000112800_100000740836 [0,1,0,1,0,0|2,0,0]=4 15661 B12R1.900 COCCCC(=O)CC1(CO1)C 1458a_100000741012_100000760498 [0,1,0,1,0,0|2,0,0]=4 15662 B12R1.900 COCCNC(=O)CC1(CC1)C 1626a_100000209980_100000112800 [0,1,0,1,0,0|2,0,0]=4 15663 B12R1.900 COCCNC(=O)CC1(CC1)C 240690a_100000209980_100000112800 [0,1,0,1,0,0|2,0,0]=4 15664 B12R1.900 COCCNC(=O)CC1(CC1)C 527a_100000209980_100000112800 [0,1,0,1,0,0|2,0,0]=4 15665 B12R1.900 CSCCCC(=O)CC1(CO1)C 1458a_100000173376_100000760498 [0,1,0,1,0,0|2,0,0]=4 15666 B12R1.900 CSCCNC(=O)CC1(CC1)C 11a_100020590264_100000112800 [0,1,0,1,0,0|2,0,0]=4 15667 B12R1.900 CSCCNC(=O)CC1(CC1)C 1626a_100020590264_100000112800 [0,1,0,1,0,0|2,0,0]=4 15668 B12R1.900 CSCCNC(=O)CC1(CC1)C 240690a_100020590264_100000112800 [0,1,0,1,0,0|2,0,0]=4 15669 B12R1.900 CSCCNC(=O)CC1(CC1)C 527a_100020590264_100000112800 [0,1,0,1,0,0|2,0,0]=4 15670 B12R1.1940 CCC(C)CC(=O)C1CC1CC 1458a_200011661523_100000748023 [0,1,0,1,0,0|1,0,0]=3 15671 B12R1.1940 CCC(C)NC(=O)C1CC1CC 11a_100000209981_200011661523 [0,1,0,1,0,0|2,0,0]=4 15672 B12R1.1940 CCC(C)NC(=O)C1CC1CC 1626a_100000209981_200011661523 [0,1,0,1,0,0|2,0,0]=4 15673 B12R1.1940 CCC(C)NC(=O)C1CC1CC 240690a_100000209981_200011661523 [0,1,0,1,0,0|2,0,0]=4 15674 B12R1.1940 CCC(C)NC(=O)C1CC1CC 527a_100000209981_200011661523 [0,1,0,1,0,0|2,0,0]=4 15675 B12R1.1940 CCC(O)CC(=O)C1CC1CC 1458a_200011661523_100011218378 [0,1,0,1,0,0|2,0,0]=4 15676 B12R1.1940 CCC1CC1C(=O)C[C@@H](C)CC 1458a_200011661523_100009816398 [0,1,0,1,0,0|1,0,0]=3 15677 B12R1.1940 CCC1CC1C(=O)C[C@@H](C)CO 1458a_200011661523_100000059175 [0,1,0,1,0,0|1,0,0]=3 15678 B12R1.1940 CCC1CC1C(=O)N[C@H](C)CF 11a_100102880703_200011661523 [0,1,0,1,0,0|2,0,0]=4 15679 B12R1.1940 CCC1CC1C(=O)N[C@H](C)CF 1626a_100102880703_200011661523 [0,1,0,1,0,0|2,0,0]=4 15680 B12R1.1940 CCC1CC1C(=O)N[C@H](C)CF 240690a_100102880703_200011661523 [0,1,0,1,0,0|2,0,0]=4 15681 B12R1.1940 CCC1CC1C(=O)N[C@H](C)CF 527a_100102880703_200011661523 [0,1,0,1,0,0|2,0,0]=4 15682 B12R1.1940 CCC1CC1C(=O)N[C@H](C)CO 240690a_100000737577_200011661523 [0,1,0,1,0,0|2,0,0]=4 15683 B12R1.1940 CCC1CC1C(=O)N[C@H](C)CO 527a_100000737577_200011661523 [0,1,0,1,0,0|2,0,0]=4 15684 B12R1.265 CC(C)(C)CC(=O)C1CCCC1 1458a_100000211214_100000179811 [0,1,0,1,0,0|1,0,0]=3 15685 B12R1.265 CC(C)(C)CC(=O)C1CCOC1 1458a_100000211214_100000690089 [0,1,0,1,0,0|2,0,0]=4 15686 B12R1.265 CC(C)(C)CC(=O)N1CCCC1 240690a_100000188435_100000211214 [0,1,0,1,0,0|1,0,0]=3 15687 B12R1.265 CC(C)(C)CC(=O)N1CCCC1 527a_100000188435_100000211214 [0,1,0,1,0,0|1,0,0]=3 15688 B12R1.265 CC(C)(C)CC(=O)N1CCSC1 11a_100011215254_100000211214 [0,1,0,1,0,0|2,0,0]=4 15689 B12R1.265 CC(C)(C)CC(=O)N1CCSC1 240690a_100011215254_100000211214 [0,1,0,1,0,0|2,0,0]=4 15690 B12R1.265 CC(C)(C)CC(=O)N1CCSC1 527a_100011215254_100000211214 [0,1,0,1,0,0|2,0,0]=4 15691 B12R1.265 CC(C)(C)NC(=O)C1CCCC1 11a_100000715429_100000210718 [0,1,0,1,0,0|2,0,0]=4 15692 B12R1.265 CC(C)(C)NC(=O)C1CCCC1 1626a_100000715429_100000210718 [0,1,0,1,0,0|2,0,0]=4 15693 B12R1.265 CC(C)(C)NC(=O)C1CCCC1 240690a_100000715429_100000210718 [0,1,0,1,0,0|2,0,0]=4 15694 B12R1.265 CC(C)(C)NC(=O)C1CCCC1 527a_100000715429_100000210718 [0,1,0,1,0,0|2,0,0]=4 15695 B12R1.265 CC(C)(C)NC(=O)N1CCCC1 273464a_100000715429_100000188435 [0,1,0,1,0,0|2,0,0]=4 15696 B12R1.265 CC(C)(O)CC(=O)C1CCCC1 1458a_100000693243_100000179811 [0,1,0,1,0,0|1,0,0]=3 15697 B12R1.265 CC(C)(O)CC(=O)C1CCOC1 1458a_100000693243_100000690089 [0,1,0,1,0,0|2,0,0]=4 15698 B12R1.265 CC(C)(O)CC(=O)N1CCCC1 527a_100000188435_100000693243 [0,1,0,1,0,0|1,0,0]=3 15699 B12R1.265 CC(C)(O)CC(=O)N1CCSC1 527a_100011215254_100000693243 [0,1,0,1,0,0|2,0,0]=4 15700 B12R1.265 C[N+](C)(C)CC(=O)C1CCCC1 1458a_100000033712_100000179811 [0,1,0,1,0,0|2,0,0]=4 15701 B12R1.265 C[N+](C)(C)CC(=O)N1CCCC1 240690a_100000188435_100000033712 [0,1,0,1,0,0|2,0,0]=4 15702 B12R1.265 C[N+](C)(C)CC(=O)N1CCCC1 527a_100000188435_100000033712 [0,1,0,1,0,0|2,0,0]=4 15703 B12R1.265 C[Si](C)(C)CC(=O)C1CCCC1 1458a_100000210718_100000233785 [0,1,0,1,0,0|1,1,0]=4 15704 B12R1.265 C[Si](C)(C)CC(=O)C1CCCC1 1458a_100011218504_100000179811 [0,1,0,1,0,0|1,1,0]=4 15705 B12R1.990 CC(C)(C)CC(=O)N[C@@H]1C[C@@H]1F 240690a_100015190264_100000211214 [0,1,0,1,0,0|2,0,0]=4 15706 B12R1.990 CC(C)(C)CC(=O)N[C@@H]1C[C@@H]1F 527a_100015190264_100000211214 [0,1,0,1,0,0|2,0,0]=4 15707 B12R1.990 CC(C)(C)CC(=O)N[C@@H]1C[C@H]1F 11a_100025746932_100000211214 [0,1,0,1,0,0|2,0,0]=4 15708 B12R1.990 CC(C)(C)CC(=O)N[C@@H]1C[C@H]1F 1626a_100025746932_100000211214 [0,1,0,1,0,0|2,0,0]=4 15709 B12R1.990 CC(C)(C)CC(=O)N[C@@H]1C[C@H]1F 240690a_100025746932_100000211214 [0,1,0,1,0,0|2,0,0]=4 15710 B12R1.990 CC(C)(C)CC(=O)N[C@@H]1C[C@H]1F 527a_100025746932_100000211214 [0,1,0,1,0,0|2,0,0]=4 15711 B12R1.990 CC(C)(O)CC(=O)N[C@@H]1C[C@@H]1F 527a_100015190264_100000693243 [0,1,0,1,0,0|2,0,0]=4 15712 B12R1.990 CC(C)(O)CC(=O)N[C@@H]1C[C@H]1F 527a_100025746932_100000693243 [0,1,0,1,0,0|2,0,0]=4 15713 B12R1.1262 CC1CCN1C(=O)CC(C)(C)C 11a_100000755817_100000211214 [0,1,0,1,0,0|1,0,0]=3 15714 B12R1.1262 CC1CCN1C(=O)CC(C)(C)C 240690a_100000755817_100000211214 [0,1,0,1,0,0|1,0,0]=3 15715 B12R1.1262 CC1CCN1C(=O)CC(C)(C)C 527a_100000755817_100000211214 [0,1,0,1,0,0|1,0,0]=3 15716 B12R1.1262 CC1CCN1C(=O)CC(C)(C)O 527a_100000755817_100000693243 [0,1,0,1,0,0|1,0,0]=3 15717 B12R1.1262 CC1CCN1C(=O)C[N+](C)(C)C 11a_100000755817_100000033712 [0,1,0,1,0,0|2,0,0]=4 15718 B12R1.1262 CC1CCN1C(=O)C[N+](C)(C)C 240690a_100000755817_100000033712 [0,1,0,1,0,0|2,0,0]=4 15719 B12R1.1262 CC1CCN1C(=O)C[N+](C)(C)C 527a_100000755817_100000033712 [0,1,0,1,0,0|2,0,0]=4 15720 B12R1.1262 CC1CCN1C(=O)C[Si](C)(C)C 11a_100000755817_100011218504 [0,1,0,1,0,0|1,1,0]=4 15721 B12R1.1262 CC1CCN1C(=O)NC(C)(C)C 273464a_100000715429_100000755817 [0,1,0,1,0,0|2,0,0]=4 15722 B12R1.1399 CC(C)(C)CC(=O)CCC1CC1 1458a_100000211214_100000694398 [0,1,0,1,0,0|1,0,0]=3 15723 B12R1.1399 CC(C)(C)CC(=O)CCC1CO1 1458a_100000211214_100000732470 [0,1,0,1,0,0|2,0,0]=4 15724 B12R1.1399 CC(C)(C)CC(=O)NCC1CC1 11a_100000735609_100000211214 [0,1,0,1,0,0|1,0,0]=3 15725 B12R1.1399 CC(C)(C)CC(=O)NCC1CC1 1626a_100000735609_100000211214 [0,1,0,1,0,0|1,0,0]=3 15726 B12R1.1399 CC(C)(C)CC(=O)NCC1CC1 240690a_100000735609_100000211214 [0,1,0,1,0,0|1,0,0]=3 15727 B12R1.1399 CC(C)(C)CC(=O)NCC1CC1 527a_100000735609_100000211214 [0,1,0,1,0,0|1,0,0]=3 15728 B12R1.1399 CC(C)(C)CC(=O)NNC1CC1 22a_100000701032_100000211214 [0,1,0,1,0,0|2,0,0]=4 15729 B12R1.1399 CC(C)(C)NC(=O)CCC1CC1 11a_100000715429_100000756386 [0,1,0,1,0,0|2,0,0]=4 15730 B12R1.1399 CC(C)(C)NC(=O)CCC1CC1 1626a_100000715429_100000756386 [0,1,0,1,0,0|2,0,0]=4 15731 B12R1.1399 CC(C)(C)NC(=O)CCC1CC1 240690a_100000715429_100000756386 [0,1,0,1,0,0|2,0,0]=4 15732 B12R1.1399 CC(C)(C)NC(=O)CCC1CC1 527a_100000715429_100000756386 [0,1,0,1,0,0|2,0,0]=4 15733 B12R1.1399 CC(C)(C)NC(=O)NCC1CC1 2708a_100000735609_100000715429 [0,1,0,1,0,0|2,0,0]=4 15734 B12R1.1399 CC(C)(C)NC(=O)NCC1CC1 273464a_100000715429_100000735609 [0,1,0,1,0,0|2,0,0]=4 15735 B12R1.1399 CC(C)(C)NC(=O)NCC1CC1 273464a_100000735609_100000715429 [0,1,0,1,0,0|2,0,0]=4 15736 B12R1.1399 CC(C)(C)NC(=O)NCC1CC1 512a_100000715429_100000735609 [0,1,0,1,0,0|2,0,0]=4 15737 B12R1.1399 CC(C)(O)CC(=O)CCC1CC1 1458a_100000693243_100000694398 [0,1,0,1,0,0|1,0,0]=3 15738 B12R1.1399 CC(C)(O)CC(=O)CCC1CO1 1458a_100000693243_100000732470 [0,1,0,1,0,0|2,0,0]=4 15739 B12R1.1399 CC(C)(O)CC(=O)NCC1CC1 527a_100000735609_100000693243 [0,1,0,1,0,0|1,0,0]=3 15740 B12R1.1399 CC(C)(O)CC(=O)NNC1CC1 22a_100000701032_100000693243 [0,1,0,1,0,0|2,0,0]=4 15741 B12R1.1399 CC(CC(C)(C)C)OCC1CC1 7a_200011218616_100000742324 [0,1,0,1,0,0|1,0,1]=4 15742 B12R1.1399 C[N+](C)(C)CC(=O)CCC1CC1 1458a_100000033712_100000694398 [0,1,0,1,0,0|2,0,0]=4 15743 B12R1.1399 C[N+](C)(C)CC(=O)NCC1CC1 11a_100000735609_100000033712 [0,1,0,1,0,0|2,0,0]=4 15744 B12R1.1399 C[N+](C)(C)CC(=O)NCC1CC1 1626a_100000735609_100000033712 [0,1,0,1,0,0|2,0,0]=4 15745 B12R1.1399 C[N+](C)(C)CC(=O)NCC1CC1 240690a_100000735609_100000033712 [0,1,0,1,0,0|2,0,0]=4 15746 B12R1.1399 C[N+](C)(C)CC(=O)NCC1CC1 527a_100000735609_100000033712 [0,1,0,1,0,0|2,0,0]=4 15747 B12R1.1399 C[Si](C)(C)CC(=O)CCC1CC1 1458a_100000756386_100000233785 [0,1,0,1,0,0|1,1,0]=4 15748 B12R1.1399 C[Si](C)(C)CC(=O)CCC1CC1 1458a_100011218504_100000694398 [0,1,0,1,0,0|1,1,0]=4 15749 B12R1.1399 C[Si](C)(C)CC(=O)NCC1CC1 11a_100000735609_100011218504 [0,1,0,1,0,0|1,1,0]=4 15750 B12R1.1399 C[Si](C)(C)CC(=O)NCC1CC1 1626a_100000735609_100011218504 [0,1,0,1,0,0|1,1,0]=4 15751 B12R1.1401 CC(C)(C)CC(=O)CC1CCC1 1458a_100000211214_100000763275 [0,1,0,1,0,0|1,0,0]=3 15752 B12R1.1401 CC(C)(C)CC(=O)CC1CCO1 1458a_100000211214_100000103362 [0,1,0,1,0,0|2,0,0]=4 15753 B12R1.1401 CC(C)(C)CC(=O)CC1COC1 1458a_100000211214_100010264016 [0,1,0,1,0,0|2,0,0]=4 15754 B12R1.1401 CC(C)(C)CC(=O)NC1CCC1 11a_100000749019_100000211214 [0,1,0,1,0,0|1,0,0]=3 15755 B12R1.1401 CC(C)(C)CC(=O)NC1CCC1 1626a_100000749019_100000211214 [0,1,0,1,0,0|1,0,0]=3 15756 B12R1.1401 CC(C)(C)CC(=O)NC1CCC1 240690a_100000749019_100000211214 [0,1,0,1,0,0|1,0,0]=3 15757 B12R1.1401 CC(C)(C)CC(=O)NC1CCC1 527a_100000749019_100000211214 [0,1,0,1,0,0|1,0,0]=3 15758 B12R1.1401 CC(C)(C)CC(=O)NC1COC1 11a_100016991112_100000211214 [0,1,0,1,0,0|2,0,0]=4 15759 B12R1.1401 CC(C)(C)CC(=O)NC1COC1 1626a_100016991112_100000211214 [0,1,0,1,0,0|2,0,0]=4 15760 B12R1.1401 CC(C)(C)CC(=O)NC1COC1 240690a_100016991112_100000211214 [0,1,0,1,0,0|2,0,0]=4 15761 B12R1.1401 CC(C)(C)CC(=O)NC1COC1 527a_100016991112_100000211214 [0,1,0,1,0,0|2,0,0]=4 15762 B12R1.1401 CC(C)(C)CC(=O)NC1CSC1 11a_100016994217_100000211214 [0,1,0,1,0,0|2,0,0]=4 15763 B12R1.1401 CC(C)(C)CC(=O)NC1CSC1 1626a_100016994217_100000211214 [0,1,0,1,0,0|2,0,0]=4 15764 B12R1.1401 CC(C)(C)CC(=O)NC1CSC1 240690a_100016994217_100000211214 [0,1,0,1,0,0|2,0,0]=4 15765 B12R1.1401 CC(C)(C)CC(=O)NC1CSC1 527a_100016994217_100000211214 [0,1,0,1,0,0|2,0,0]=4 15766 B12R1.1401 CC(C)(C)NC(=O)CC1CCC1 11a_100000715429_100000763092 [0,1,0,1,0,0|2,0,0]=4 15767 B12R1.1401 CC(C)(C)NC(=O)CC1CCC1 1626a_100000715429_100000763092 [0,1,0,1,0,0|2,0,0]=4 15768 B12R1.1401 CC(C)(C)NC(=O)CC1CCC1 240690a_100000715429_100000763092 [0,1,0,1,0,0|2,0,0]=4 15769 B12R1.1401 CC(C)(C)NC(=O)CC1CCC1 527a_100000715429_100000763092 [0,1,0,1,0,0|2,0,0]=4 15770 B12R1.1401 CC(C)(C)NC(=O)NC1CCC1 273464a_100000715429_100000749019 [0,1,0,1,0,0|2,0,0]=4 15771 B12R1.1401 CC(C)(C)NC(=O)NC1CCC1 273464a_100000749019_100000715429 [0,1,0,1,0,0|2,0,0]=4 15772 B12R1.1401 CC(C)(C)NC(=O)NC1CCC1 512a_100000715429_100000749019 [0,1,0,1,0,0|2,0,0]=4 15773 B12R1.1401 CC(C)(O)CC(=O)CC1CCC1 1458a_100000693243_100000763275 [0,1,0,1,0,0|1,0,0]=3 15774 B12R1.1401 CC(C)(O)CC(=O)CC1CCO1 1458a_100000693243_100000103362 [0,1,0,1,0,0|2,0,0]=4 15775 B12R1.1401 CC(C)(O)CC(=O)CC1COC1 1458a_100000693243_100010264016 [0,1,0,1,0,0|2,0,0]=4 15776 B12R1.1401 CC(C)(O)CC(=O)NC1CCC1 527a_100000749019_100000693243 [0,1,0,1,0,0|1,0,0]=3 15777 B12R1.1401 CC(C)(O)CC(=O)NC1COC1 527a_100016991112_100000693243 [0,1,0,1,0,0|2,0,0]=4 15778 B12R1.1401 CC(C)(O)CC(=O)NC1CSC1 527a_100016994217_100000693243 [0,1,0,1,0,0|2,0,0]=4 15779 B12R1.1401 C[N+](C)(C)CC(=O)CC1CCC1 1458a_100000033712_100000763275 [0,1,0,1,0,0|2,0,0]=4 15780 B12R1.1401 C[N+](C)(C)CC(=O)NC1CCC1 11a_100000749019_100000033712 [0,1,0,1,0,0|2,0,0]=4 15781 B12R1.1401 C[N+](C)(C)CC(=O)NC1CCC1 1626a_100000749019_100000033712 [0,1,0,1,0,0|2,0,0]=4 15782 B12R1.1401 C[N+](C)(C)CC(=O)NC1CCC1 240690a_100000749019_100000033712 [0,1,0,1,0,0|2,0,0]=4 15783 B12R1.1401 C[N+](C)(C)CC(=O)NC1CCC1 527a_100000749019_100000033712 [0,1,0,1,0,0|2,0,0]=4 15784 B12R1.1401 C[Si](C)(C)CC(=O)CC1CCC1 1458a_100000763092_100000233785 [0,1,0,1,0,0|1,1,0]=4 15785 B12R1.1401 C[Si](C)(C)CC(=O)CC1CCC1 1458a_100011218504_100000763275 [0,1,0,1,0,0|1,1,0]=4 15786 B12R1.1401 C[Si](C)(C)CC(=O)NC1CCC1 11a_100000749019_100011218504 [0,1,0,1,0,0|1,1,0]=4 15787 B12R1.1401 C[Si](C)(C)CC(=O)NC1CCC1 1626a_100000749019_100011218504 [0,1,0,1,0,0|1,1,0]=4 15788 B12R1.1854 CCC1CC1C(=O)C[Si](C)(C)C 1458a_200011661523_100000233785 [0,1,0,1,0,0|1,1,0]=4 15789 B12R1.1854 CCC1CC1C(=O)NC(C)(C)C 11a_100000715429_200011661523 [0,1,0,1,0,0|2,0,0]=4 15790 B12R1.1854 CCC1CC1C(=O)NC(C)(C)C 1626a_100000715429_200011661523 [0,1,0,1,0,0|2,0,0]=4 15791 B12R1.1854 CCC1CC1C(=O)NC(C)(C)C 240690a_100000715429_200011661523 [0,1,0,1,0,0|2,0,0]=4 15792 B12R1.1854 CCC1CC1C(=O)NC(C)(C)C 527a_100000715429_200011661523 [0,1,0,1,0,0|2,0,0]=4 15793 B12R1.259 CC(C)CS(=O)(=O)N1CCCC1 270084a_100000188435_100000748289 [0,1,0,1,0,0|2,0,0]=4 15794 B12R1.259 CC(C)CS(=O)(=O)N1CCCC1 274078a_100000188435_100000748289 [0,1,0,1,0,0|2,0,0]=4 15795 B12R1.975 CC(C)CS(=O)(=O)N1CCC1C 270084a_100000755817_100000748289 [0,1,0,1,0,0|2,0,0]=4 15796 B12R1.975 CC(C)CS(=O)(=O)N1CCC1C 274078a_100000755817_100000748289 [0,1,0,1,0,0|2,0,0]=4 15797 B12R1.1374 CC(C)CS(=O)(=O)NC1CCC1 270084a_100000749019_100000748289 [0,1,0,1,0,0|2,0,0]=4 15798 B12R1.1374 CC(C)CS(=O)(=O)NC1CCC1 274078a_100000749019_100000748289 [0,1,0,1,0,0|2,0,0]=4 15799 B12R1.1375 CC(C)CS(=O)(=O)NCC1CC1 270084a_100000735609_100000748289 [0,1,0,1,0,0|2,0,0]=4 15800 B12R1.1375 CC(C)CS(=O)(=O)NCC1CC1 274078a_100000735609_100000748289 [0,1,0,1,0,0|2,0,0]=4 15801 B12R2.1974 CCCCOC1CCC2C1C2 34a_200012295571_100000210210 [0,0,0,2,0,0|1,0,1]=4 15802 B12R2.2298 CC1CCC(C1)OCC2CC2 34a_100000698185_100000742324 [0,0,0,2,0,0|1,0,1]=4 15803 B12R2.2301 CC1CCC(C1)OC2CCC2 34a_100000698185_100000749161 [0,0,0,2,0,0|1,0,1]=4 15804 B12R2.2030 CN(C)C1C(=O)[C@H]2CC[C@@H]1C2 269982a_100102631434_200015607011 [0,0,0,2,0,0|2,0,0]=4 15805 B12R2.102 CC1CC1C(=O)C2CCCC2 1458a_100000211227_100000179811 [0,0,0,2,0,0|1,0,0]=3 15806 B12R2.102 CC1CC1C(=O)C2CCOC2 1458a_100000211227_100000690089 [0,0,0,2,0,0|2,0,0]=4 15807 B12R2.102 CC1CC1C(=O)N2CCCC2 527a_100000188435_100000211227 [0,0,0,2,0,0|1,0,0]=3 15808 B12R2.102 CC1CC1C(=O)N2CCSC2 11a_100011215254_100000211227 [0,0,0,2,0,0|2,0,0]=4 15809 B12R2.102 CC1CC1C(=O)N2CCSC2 527a_100011215254_100000211227 [0,0,0,2,0,0|2,0,0]=4 15810 B12R2.102 O=C(C1CCCC1)[C@@H]2C[C@@H]2F 1458a_100015396687_100000179811 [0,0,0,2,0,0|2,0,0]=4 15811 B12R2.102 O=C([C@@H]1C[C@@H]1F)N2CCCC2 240690a_100000188435_100015396687 [0,0,0,2,0,0|2,0,0]=4 15812 B12R2.102 O=C([C@@H]1C[C@@H]1F)N2CCCC2 527a_100000188435_100015396687 [0,0,0,2,0,0|2,0,0]=4 15813 B12R2.2074 O=C(CC1CC1)C2=CCCC2 1458a_100000038896_100000742324 [0,0,0,2,0,0|1,0,1]=4 15814 B12R2.2074 O=C(CC1CC1)C2CCCC2 1458a_100000210718_100000742324 [0,0,0,2,0,0|1,0,0]=3 15815 B12R2.2074 O=C(CC1CC1)C2CCCC2 1458a_100000738066_100000179811 [0,0,0,2,0,0|1,0,0]=3 15816 B12R2.2074 O=C(CC1CC1)C2CCCS2 1458a_100012002731_100000742324 [0,0,0,2,0,0|2,0,0]=4 15817 B12R2.2074 O=C(CC1CC1)C2CCOC2 1458a_100000738066_100000690089 [0,0,0,2,0,0|2,0,0]=4 15818 B12R2.2074 O=C(CC1CC1)C2CCOC2 1458a_100011219752_100000742324 [0,0,0,2,0,0|2,0,0]=4 15819 B12R2.2074 O=C(CC1CC1)N2CCCC2 240690a_100000188435_100000738066 [0,0,0,2,0,0|1,0,0]=3 15820 B12R2.2074 O=C(CC1CC1)N2CCCC2 527a_100000188435_100000738066 [0,0,0,2,0,0|1,0,0]=3 15821 B12R2.2074 O=C(CC1CC1)N2CCSC2 11a_100011215254_100000738066 [0,0,0,2,0,0|2,0,0]=4 15822 B12R2.2074 O=C(CC1CC1)N2CCSC2 240690a_100011215254_100000738066 [0,0,0,2,0,0|2,0,0]=4 15823 B12R2.2074 O=C(CC1CC1)N2CCSC2 527a_100011215254_100000738066 [0,0,0,2,0,0|2,0,0]=4 15824 B12R2.2074 O=C(CC1CC1)[C@@H]2CCCO2 1458a_100000686382_100000742324 [0,0,0,2,0,0|2,0,0]=4 15825 B12R2.2074 O=C(CC1CO1)C2CCCC2 1458a_100000210718_100011216344 [0,0,0,2,0,0|2,0,0]=4 15826 B12R2.2074 O=C(CC1CS1)C2CCCC2 1458a_100000210718_100000031435 [0,0,0,2,0,0|2,0,0]=4 15827 B12R2.2074 O=C(C[C@@H]1CO1)C2CCCC2 1458a_100000210718_100000745022 [0,0,0,2,0,0|2,0,0]=4 15828 B12R2.2074 O=C(NC1CC1)C2CCCC2 1626a_100000212008_100000210718 [0,0,0,2,0,0|2,0,0]=4 15829 B12R2.2074 O=C(NC1CC1)C2CCCC2 240690a_100000212008_100000210718 [0,0,0,2,0,0|2,0,0]=4 15830 B12R2.2074 O=C(NC1CC1)C2CCCC2 527a_100000212008_100000210718 [0,0,0,2,0,0|2,0,0]=4 15831 B12R2.2074 O=C(NC1CC1)N2CCCC2 2708a_100000212008_100000188435 [0,0,0,2,0,0|2,0,0]=4 15832 B12R2.2074 O=C(NC1CC1)N2CCCC2 273464a_100000212008_100000188435 [0,0,0,2,0,0|2,0,0]=4 15833 B12R2.403 CC1CC1C(=O)N[C@@H]2C[C@@H]2F 527a_100015190264_100000211227 [0,0,0,2,0,0|2,0,0]=4 15834 B12R2.403 CC1CC1C(=O)N[C@@H]2C[C@H]2F 11a_100025746932_100000211227 [0,0,0,2,0,0|2,0,0]=4 15835 B12R2.403 CC1CC1C(=O)N[C@@H]2C[C@H]2F 1626a_100025746932_100000211227 [0,0,0,2,0,0|2,0,0]=4 15836 B12R2.403 CC1CC1C(=O)N[C@@H]2C[C@H]2F 527a_100025746932_100000211227 [0,0,0,2,0,0|2,0,0]=4 15837 B12R2.424 O=C(CC1CC1)N[C@@H]2C[C@@H]2F 240690a_100015190264_100000738066 [0,0,0,2,0,0|2,0,0]=4 15838 B12R2.424 O=C(CC1CC1)N[C@@H]2C[C@@H]2F 527a_100015190264_100000738066 [0,0,0,2,0,0|2,0,0]=4 15839 B12R2.424 O=C(CC1CC1)N[C@@H]2C[C@H]2F 11a_100025746932_100000738066 [0,0,0,2,0,0|2,0,0]=4 15840 B12R2.424 O=C(CC1CC1)N[C@@H]2C[C@H]2F 1626a_100025746932_100000738066 [0,0,0,2,0,0|2,0,0]=4 15841 B12R2.424 O=C(CC1CC1)N[C@@H]2C[C@H]2F 240690a_100025746932_100000738066 [0,0,0,2,0,0|2,0,0]=4 15842 B12R2.424 O=C(CC1CC1)N[C@@H]2C[C@H]2F 527a_100025746932_100000738066 [0,0,0,2,0,0|2,0,0]=4 15843 B12R2.1294 CC1CC1C(=O)N2CCC2C 11a_100000755817_100000211227 [0,0,0,2,0,0|1,0,0]=3 15844 B12R2.1294 CC1CC1C(=O)N2CCC2C 527a_100000755817_100000211227 [0,0,0,2,0,0|1,0,0]=3 15845 B12R2.1294 CC1CCN1C(=O)[C@@H]2C[C@@H]2F 11a_100000755817_100015396687 [0,0,0,2,0,0|2,0,0]=4 15846 B12R2.1294 CC1CCN1C(=O)[C@@H]2C[C@@H]2F 240690a_100000755817_100015396687 [0,0,0,2,0,0|2,0,0]=4 15847 B12R2.1294 CC1CCN1C(=O)[C@@H]2C[C@@H]2F 527a_100000755817_100015396687 [0,0,0,2,0,0|2,0,0]=4 15848 B12R2.1309 CC1CCN1C(=O)CC2CC2 11a_100000755817_100000738066 [0,0,0,2,0,0|1,0,0]=3 15849 B12R2.1309 CC1CCN1C(=O)CC2CC2 240690a_100000755817_100000738066 [0,0,0,2,0,0|1,0,0]=3 15850 B12R2.1309 CC1CCN1C(=O)CC2CC2 527a_100000755817_100000738066 [0,0,0,2,0,0|1,0,0]=3 15851 B12R2.1309 CC1CCN1C(=O)NC2CC2 2708a_100000212008_100000755817 [0,0,0,2,0,0|2,0,0]=4 15852 B12R2.1309 CC1CCN1C(=O)NC2CC2 273464a_100000212008_100000755817 [0,0,0,2,0,0|2,0,0]=4 15853 B12R2.1711 CCC1CC1C(=O)CC2CC2 1458a_200011661523_100000742324 [0,0,0,2,0,0|1,0,0]=3 15854 B12R2.1711 CCC1CC1C(=O)CC2CO2 1458a_200011661523_100011216344 [0,0,0,2,0,0|2,0,0]=4 15855 B12R2.1711 CCC1CC1C(=O)CC2CS2 1458a_200011661523_100000031435 [0,0,0,2,0,0|2,0,0]=4 15856 B12R2.1711 CCC1CC1C(=O)C[C@@H]2CO2 1458a_200011661523_100000745022 [0,0,0,2,0,0|2,0,0]=4 15857 B12R2.1711 CCC1CC1C(=O)NC2CC2 1626a_100000212008_200011661523 [0,0,0,2,0,0|2,0,0]=4 15858 B12R2.1711 CCC1CC1C(=O)NC2CC2 240690a_100000212008_200011661523 [0,0,0,2,0,0|2,0,0]=4 15859 B12R2.1711 CCC1CC1C(=O)NC2CC2 527a_100000212008_200011661523 [0,0,0,2,0,0|2,0,0]=4 15860 B12R2.3283 O=C(C=C1CCC1)CC2CC2 1458a_100000686340_100000742324 [0,0,0,2,0,0|1,0,1]=4 15861 B12R2.3283 O=C(CC1CC1)CC2CCO2 1458a_100000738066_100000103362 [0,0,0,2,0,0|2,0,0]=4 15862 B12R2.3283 O=C(CC1CC1)CC2COC2 1458a_100000687760_100000742324 [0,0,0,2,0,0|2,0,0]=4 15863 B12R2.3283 O=C(CC1CC1)CC2COC2 1458a_100000738066_100010264016 [0,0,0,2,0,0|2,0,0]=4 15864 B12R2.3283 O=C(CC1CC1)NC2CCC2 11a_100000749019_100000738066 [0,0,0,2,0,0|1,0,0]=3 15865 B12R2.3283 O=C(CC1CC1)NC2CCC2 1626a_100000749019_100000738066 [0,0,0,2,0,0|1,0,0]=3 15866 B12R2.3283 O=C(CC1CC1)NC2CCC2 240690a_100000749019_100000738066 [0,0,0,2,0,0|1,0,0]=3 15867 B12R2.3283 O=C(CC1CC1)NC2CCC2 527a_100000749019_100000738066 [0,0,0,2,0,0|1,0,0]=3 15868 B12R2.3283 O=C(CC1CC1)NC2COC2 11a_100016991112_100000738066 [0,0,0,2,0,0|2,0,0]=4 15869 B12R2.3283 O=C(CC1CC1)NC2COC2 1626a_100016991112_100000738066 [0,0,0,2,0,0|2,0,0]=4 15870 B12R2.3283 O=C(CC1CC1)NC2COC2 240690a_100016991112_100000738066 [0,0,0,2,0,0|2,0,0]=4 15871 B12R2.3283 O=C(CC1CC1)NC2COC2 527a_100016991112_100000738066 [0,0,0,2,0,0|2,0,0]=4 15872 B12R2.3283 O=C(CC1CC1)NC2CSC2 11a_100016994217_100000738066 [0,0,0,2,0,0|2,0,0]=4 15873 B12R2.3283 O=C(CC1CC1)NC2CSC2 1626a_100016994217_100000738066 [0,0,0,2,0,0|2,0,0]=4 15874 B12R2.3283 O=C(CC1CC1)NC2CSC2 240690a_100016994217_100000738066 [0,0,0,2,0,0|2,0,0]=4 15875 B12R2.3283 O=C(CC1CC1)NC2CSC2 527a_100016994217_100000738066 [0,0,0,2,0,0|2,0,0]=4 15876 B12R2.3283 O=C(CC1CCC1)CC2CC2 1458a_100000738066_100000763275 [0,0,0,2,0,0|1,0,0]=3 15877 B12R2.3283 O=C(CC1CCC1)CC2CC2 1458a_100000763092_100000742324 [0,0,0,2,0,0|1,0,0]=3 15878 B12R2.3283 O=C(CC1CCC1)CC2CO2 1458a_100000763092_100011216344 [0,0,0,2,0,0|2,0,0]=4 15879 B12R2.3283 O=C(CC1CCC1)CC2CS2 1458a_100000763092_100000031435 [0,0,0,2,0,0|2,0,0]=4 15880 B12R2.3283 O=C(CC1CCC1)C[C@@H]2CO2 1458a_100000763092_100000745022 [0,0,0,2,0,0|2,0,0]=4 15881 B12R2.3283 O=C(CC1CCC1)NC2CC2 1626a_100000212008_100000763092 [0,0,0,2,0,0|2,0,0]=4 15882 B12R2.3283 O=C(CC1CCC1)NC2CC2 240690a_100000212008_100000763092 [0,0,0,2,0,0|2,0,0]=4 15883 B12R2.3283 O=C(CC1CCC1)NC2CC2 527a_100000212008_100000763092 [0,0,0,2,0,0|2,0,0]=4 15884 B12R2.3283 O=C(NC1CCC1)NC2CC2 2708a_100000212008_100000749019 [0,0,0,2,0,0|2,0,0]=4 15885 B12R2.3283 O=C(NC1CCC1)NC2CC2 273464a_100000212008_100000749019 [0,0,0,2,0,0|2,0,0]=4 15886 B12R2.3283 O=C(NC1CCC1)NC2CC2 273464a_100000749019_100000212008 [0,0,0,2,0,0|2,0,0]=4 15887 B12R2.3283 O=C(NC1CCC1)NC2CC2 512a_100000212008_100000749019 [0,0,0,2,0,0|2,0,0]=4 15888 B12R2.3288 O=C(C=CC1CC1)CC2CC2 1458a_100102529529_100000742324 [0,0,0,2,0,0|1,0,1]=4 15889 B12R2.3288 O=C(CC1CC1)NCC2CC2 11a_100000735609_100000738066 [0,0,0,2,0,0|1,0,0]=3 15890 B12R2.3288 O=C(CC1CC1)NCC2CC2 1626a_100000735609_100000738066 [0,0,0,2,0,0|1,0,0]=3 15891 B12R2.3288 O=C(CC1CC1)NCC2CC2 240690a_100000735609_100000738066 [0,0,0,2,0,0|1,0,0]=3 15892 B12R2.3288 O=C(CC1CC1)NCC2CC2 527a_100000735609_100000738066 [0,0,0,2,0,0|1,0,0]=3 15893 B12R2.3288 O=C(CC1CC1)NNC2CC2 22a_100000701032_100000738066 [0,0,0,2,0,0|2,0,0]=4 15894 B12R2.3288 O=C(CCC1CC1)CC2CC2 1458a_100000738066_100000694398 [0,0,0,2,0,0|1,0,0]=3 15895 B12R2.3288 O=C(CCC1CC1)CC2CC2 1458a_100000756386_100000742324 [0,0,0,2,0,0|1,0,0]=3 15896 B12R2.3288 O=C(CCC1CC1)CC2CO2 1458a_100000756386_100011216344 [0,0,0,2,0,0|2,0,0]=4 15897 B12R2.3288 O=C(CCC1CC1)CC2CS2 1458a_100000756386_100000031435 [0,0,0,2,0,0|2,0,0]=4 15898 B12R2.3288 O=C(CCC1CC1)C[C@@H]2CO2 1458a_100000756386_100000745022 [0,0,0,2,0,0|2,0,0]=4 15899 B12R2.3288 O=C(CCC1CC1)NC2CC2 1626a_100000212008_100000756386 [0,0,0,2,0,0|2,0,0]=4 15900 B12R2.3288 O=C(CCC1CC1)NC2CC2 240690a_100000212008_100000756386 [0,0,0,2,0,0|2,0,0]=4 15901 B12R2.3288 O=C(CCC1CC1)NC2CC2 527a_100000212008_100000756386 [0,0,0,2,0,0|2,0,0]=4 15902 B12R2.3288 O=C(CCC1CO1)CC2CC2 1458a_100000738066_100000732470 [0,0,0,2,0,0|2,0,0]=4 15903 B12R2.3288 O=C(NCC1CC1)NC2CC2 2708a_100000212008_100000735609 [0,0,0,2,0,0|2,0,0]=4 15904 B12R2.3288 O=C(NCC1CC1)NC2CC2 2708a_100000735609_100000212008 [0,0,0,2,0,0|2,0,0]=4 15905 B12R2.3288 O=C(NCC1CC1)NC2CC2 273464a_100000212008_100000735609 [0,0,0,2,0,0|2,0,0]=4 15906 B12R2.3288 O=C(NCC1CC1)NC2CC2 273464a_100000735609_100000212008 [0,0,0,2,0,0|2,0,0]=4 15907 B12R2.3288 O=C(NCC1CC1)NC2CC2 512a_100000212008_100000735609 [0,0,0,2,0,0|2,0,0]=4 15908 B12R2.5430 CC1CC1C(=O)CC2CCC2 1458a_100000211227_100000763275 [0,0,0,2,0,0|1,0,0]=3 15909 B12R2.5430 CC1CC1C(=O)CC2CCO2 1458a_100000211227_100000103362 [0,0,0,2,0,0|2,0,0]=4 15910 B12R2.5430 CC1CC1C(=O)CC2COC2 1458a_100000211227_100010264016 [0,0,0,2,0,0|2,0,0]=4 15911 B12R2.5430 CC1CC1C(=O)NC2CCC2 11a_100000749019_100000211227 [0,0,0,2,0,0|1,0,0]=3 15912 B12R2.5430 CC1CC1C(=O)NC2CCC2 1626a_100000749019_100000211227 [0,0,0,2,0,0|1,0,0]=3 15913 B12R2.5430 CC1CC1C(=O)NC2CCC2 527a_100000749019_100000211227 [0,0,0,2,0,0|1,0,0]=3 15914 B12R2.5430 CC1CC1C(=O)NC2COC2 11a_100016991112_100000211227 [0,0,0,2,0,0|2,0,0]=4 15915 B12R2.5430 CC1CC1C(=O)NC2COC2 1626a_100016991112_100000211227 [0,0,0,2,0,0|2,0,0]=4 15916 B12R2.5430 CC1CC1C(=O)NC2COC2 527a_100016991112_100000211227 [0,0,0,2,0,0|2,0,0]=4 15917 B12R2.5430 CC1CC1C(=O)NC2CSC2 11a_100016994217_100000211227 [0,0,0,2,0,0|2,0,0]=4 15918 B12R2.5430 CC1CC1C(=O)NC2CSC2 1626a_100016994217_100000211227 [0,0,0,2,0,0|2,0,0]=4 15919 B12R2.5430 CC1CC1C(=O)NC2CSC2 527a_100016994217_100000211227 [0,0,0,2,0,0|2,0,0]=4 15920 B12R2.5430 O=C(CC1CCC1)[C@@H]2C[C@@H]2F 1458a_100015396687_100000763275 [0,0,0,2,0,0|2,0,0]=4 15921 B12R2.5430 O=C(NC1CCC1)[C@@H]2C[C@@H]2F 11a_100000749019_100015396687 [0,0,0,2,0,0|2,0,0]=4 15922 B12R2.5430 O=C(NC1CCC1)[C@@H]2C[C@@H]2F 240690a_100000749019_100015396687 [0,0,0,2,0,0|2,0,0]=4 15923 B12R2.5430 O=C(NC1CCC1)[C@@H]2C[C@@H]2F 527a_100000749019_100015396687 [0,0,0,2,0,0|2,0,0]=4 15924 B12R2.1255 CC1CC1C(=O)CCC2CC2 1458a_100000211227_100000694398 [0,0,0,2,0,0|1,0,0]=3 15925 B12R2.1255 CC1CC1C(=O)CCC2CO2 1458a_100000211227_100000732470 [0,0,0,2,0,0|2,0,0]=4 15926 B12R2.1255 CC1CC1C(=O)NCC2CC2 11a_100000735609_100000211227 [0,0,0,2,0,0|1,0,0]=3 15927 B12R2.1255 CC1CC1C(=O)NCC2CC2 1626a_100000735609_100000211227 [0,0,0,2,0,0|1,0,0]=3 15928 B12R2.1255 CC1CC1C(=O)NCC2CC2 527a_100000735609_100000211227 [0,0,0,2,0,0|1,0,0]=3 15929 B12R2.1255 CC1CC1C(=O)NNC2CC2 22a_100000701032_100000211227 [0,0,0,2,0,0|2,0,0]=4 15930 B12R2.1255 O=C(CCC1CC1)[C@@H]2C[C@@H]2F 1458a_100015396687_100000694398 [0,0,0,2,0,0|2,0,0]=4 15931 B12R2.1255 O=C(NCC1CC1)[C@@H]2C[C@@H]2F 11a_100000735609_100015396687 [0,0,0,2,0,0|2,0,0]=4 15932 B12R2.1255 O=C(NCC1CC1)[C@@H]2C[C@@H]2F 240690a_100000735609_100015396687 [0,0,0,2,0,0|2,0,0]=4 15933 B12R2.1255 O=C(NCC1CC1)[C@@H]2C[C@@H]2F 527a_100000735609_100015396687 [0,0,0,2,0,0|2,0,0]=4 15934 B8R0.8 C#CCCC(=O)C(C)C 1458a_100000210198_100000753159 [1,0,0,0,1,0|0,0,2]=4 15935 B8R0.8 C#CCCC(=O)C(C)C 1458a_100000692101_100000210206 [1,0,0,0,1,0|0,0,2]=4 15936 B8R0.8 C/C=C/CC(=O)C(C)C 1458a_100000210198_100102629194 [1,0,0,0,1,0|0,0,2]=4 15937 B8R0.8 C=C(C)C(=O)CCCC 1458a_100000185857_100000210211 [1,0,0,0,1,0|0,0,2]=4 15938 B8R0.8 C=CCCC(=O)C(C)C 1458a_100000210198_100000754431 [1,0,0,0,1,0|0,0,2]=4 15939 B8R0.8 C=CCCC(=O)C(C)C 1458a_100000749702_100000210206 [1,0,0,0,1,0|0,0,2]=4 15940 B8R0.8 CC#CCC(=O)C(C)C 1458a_100000210198_100000748600 [1,0,0,0,1,0|0,0,2]=4 15941 B8R0.8 CC(C)C(=O)CCC#N 1458a_100000210198_100011215226 [1,0,0,0,1,0|1,0,1]=4 15942 B8R0.8 CC(C)C(=O)CCC#N 1458a_100011934036_100000210206 [1,0,0,0,1,0|1,0,1]=4 15943 B8R0.8 CC(C)C(=O)CCCF 1458a_100000210198_100011934791 [1,0,0,0,1,0|1,0,0]=3 15944 B8R0.8 CC(C)C(=O)CCCO 1458a_100000210198_100011215043 [1,0,0,0,1,0|1,0,0]=3 15945 B8R0.8 CC(C)C(=O)CSCF 62a_100000753385_100015361967 [1,0,0,0,1,0|2,0,0]=4 15946 B8R0.8 CC(C)C(=O)CSCF 62a_100015361967_100000753385 [1,0,0,0,1,0|2,0,0]=4 15947 B8R0.8 CC(C)C(=O)NCCF 11a_100000724931_100000210198 [1,0,0,0,1,0|2,0,0]=4 15948 B8R0.8 CC(C)C(=O)NCCF 1626a_100000724931_100000210198 [1,0,0,0,1,0|2,0,0]=4 15949 B8R0.8 CC(C)C(=O)NCCF 240690a_100000724931_100000210198 [1,0,0,0,1,0|2,0,0]=4 15950 B8R0.8 CC(C)C(=O)NCCF 527a_100000724931_100000210198 [1,0,0,0,1,0|2,0,0]=4 15951 B8R0.8 CC(C)C(=O)NCCO 240690a_100000210304_100000210198 [1,0,0,0,1,0|2,0,0]=4 15952 B8R0.8 CC(C)C(=O)NCCO 527a_100000210304_100000210198 [1,0,0,0,1,0|2,0,0]=4 15953 B8R0.8 CC(C)C(=O)OCS[13CH3] 62a_100000139345_200025704644 [1,0,0,0,1,0|1,0,0]=3 15954 B8R0.8 CC(C)C(=O)OCS[13CH3] 62a_200025704644_100000139345 [1,0,0,0,1,0|1,0,0]=3 15955 B8R0.8 CC(F)C(=O)CCCF 1458a_100000062450_100011934791 [1,0,0,0,1,0|2,0,0]=4 15956 B8R0.8 CC(F)C(=O)CCCO 1458a_100000062450_100011215043 [1,0,0,0,1,0|2,0,0]=4 15957 B8R0.8 CC=CCC(=O)C(C)C 1458a_100000210198_100000070051 [1,0,0,0,1,0|0,0,2]=4 15958 B8R0.8 CC=CCC(=O)C(C)C 1458a_100121576822_100000210206 [1,0,0,0,1,0|0,0,2]=4 15959 B8R0.8 CCC#CC(=O)C(C)C 1458a_100011827653_100000210206 [1,0,0,0,1,0|0,0,2]=4 15960 B8R0.8 CCC=CC(=O)C(C)C 1458a_100000212282_100000210206 [1,0,0,0,1,0|0,0,2]=4 15961 B8R0.8 CCCCC(=O)C(C)C 1458a_100000210183_100000210206 [1,0,0,0,1,0|0,0,0]=2 15962 B8R0.8 CCCCC(=O)C(C)C 1458a_100000210198_100000210211 [1,0,0,0,1,0|0,0,0]=2 15963 B8R0.8 CCCCC(=O)C(C)F 1458a_100000062450_100000210211 [1,0,0,0,1,0|1,0,0]=3 15964 B8R0.8 CCCCC(=O)C(O)O 1458a_100000233687_100000210211 [1,0,0,0,1,0|2,0,0]=4 15965 B8R0.8 CCCCC(=O)N(C)C 11a_100102631434_100000210183 [1,0,0,0,1,0|1,0,0]=3 15966 B8R0.8 CCCCC(=O)N(C)C 1626a_100102631434_100000210183 [1,0,0,0,1,0|1,0,0]=3 15967 B8R0.8 CCCCC(=O)N(C)C 240690a_100102631434_100000210183 [1,0,0,0,1,0|1,0,0]=3 15968 B8R0.8 CCCCC(=O)N(C)C 527a_100102631434_100000210183 [1,0,0,0,1,0|1,0,0]=3 15969 B8R0.8 CCCCC(=O)[C@@H](C)O 1458a_100000717761_100000210211 [1,0,0,0,1,0|1,0,0]=3 15970 B8R0.8 CCCCC(=O)[C@H](C)O 1458a_217856618621_100000210211 [1,0,0,0,1,0|1,0,0]=3 15971 B8R0.8 CCCCN(C)C(C)C 2230a_100000207398_200000210301 [1,0,0,0,1,0|2,0,0]=4 15972 B8R0.8 CCCCN(C)C(C)C 2230a_100000207549_100000210206 [1,0,0,0,1,0|2,0,0]=4 15973 B8R0.8 CCCCN(C)C(C)C 269982a_100000207398_200000210301 [1,0,0,0,1,0|2,0,0]=4 15974 B8R0.8 CCCCN(C)C(C)C 269982a_100000207549_100000210206 [1,0,0,0,1,0|2,0,0]=4 15975 B8R0.8 CCCCN(C)C(C)C 269982a_200000211004_100000210211 [1,0,0,0,1,0|2,0,0]=4 15976 B8R0.8 CCCCN([13CH3])C(C)C 2230a_100000207398_200025704644 [1,0,0,0,1,0|2,0,0]=4 15977 B8R0.8 CCCCN([13CH3])C(C)C 269982a_100000207398_200025704644 [1,0,0,0,1,0|2,0,0]=4 15978 B8R0.8 CCCNC(=O)C(C)C 11a_100020643023_100000210198 [1,0,0,0,1,0|1,0,0]=3 15979 B8R0.8 CCCNC(=O)C(C)C 1626a_100020643023_100000210198 [1,0,0,0,1,0|1,0,0]=3 15980 B8R0.8 CCCNC(=O)C(C)C 240690a_100020643023_100000210198 [1,0,0,0,1,0|1,0,0]=3 15981 B8R0.8 CCCNC(=O)C(C)C 527a_100020643023_100000210198 [1,0,0,0,1,0|1,0,0]=3 15982 B8R0.8 CCCNC(=O)C(C)F 11a_100020643023_100000062450 [1,0,0,0,1,0|2,0,0]=4 15983 B8R0.8 CCCNC(=O)C(C)F 1626a_100020643023_100000062450 [1,0,0,0,1,0|2,0,0]=4 15984 B8R0.8 CCCNC(=O)C(C)F 240690a_100020643023_100000062450 [1,0,0,0,1,0|2,0,0]=4 15985 B8R0.8 CCCNC(=O)C(C)F 527a_100020643023_100000062450 [1,0,0,0,1,0|2,0,0]=4 15986 B8R0.8 CCCNC(=O)N(C)C 2708a_100020643023_100102631434 [1,0,0,0,1,0|2,0,0]=4 15987 B8R0.8 CCCNC(=O)[C@@H](C)O 240690a_100020643023_100000717761 [1,0,0,0,1,0|2,0,0]=4 15988 B8R0.8 CCCNC(=O)[C@H](C)O 1626a_100020643023_217856618621 [1,0,0,0,1,0|2,0,0]=4 15989 B8R0.8 CCCNC(=O)[C@H](C)O 240690a_100020643023_217856618621 [1,0,0,0,1,0|2,0,0]=4 15990 B8R0.8 CCCOC(C)C(C)C 7a_100000748068_100000210303 [1,0,0,0,1,0|1,0,1]=4 15991 B8R0.8 CCNCC(=O)C(C)C 2230a_100015525214_100000753385 [1,0,0,0,1,0|1,0,0]=3 15992 B8R0.8 CCNCC(=O)N(C)C 2230a_100015183351_100000210202 [1,0,0,0,1,0|2,0,0]=4 15993 B8R0.8 CCNCC(=O)N(C)C 2230a_100015525214_100000185267 [1,0,0,0,1,0|2,0,0]=4 15994 B8R0.8 CCNNC(=O)C(C)C 22a_100000756455_100000210198 [1,0,0,0,1,0|2,0,0]=4 15995 B8R0.8 CCOCC(=O)C(C)C 1458a_100000211967_100000210206 [1,0,0,0,1,0|1,0,0]=3 15996 B8R0.8 CCOCC(=O)C(C)C 34a_100121572206_100000753385 [1,0,0,0,1,0|1,0,0]=3 15997 B8R0.8 CCOCC(=O)N(C)C 11a_100102631434_100000211967 [1,0,0,0,1,0|2,0,0]=4 15998 B8R0.8 CCOCC(=O)N(C)C 1626a_100102631434_100000211967 [1,0,0,0,1,0|2,0,0]=4 15999 B8R0.8 CCOCC(=O)N(C)C 240690a_100102631434_100000211967 [1,0,0,0,1,0|2,0,0]=4 16000 B8R0.8 CCOCC(=O)N(C)C 34a_100121572206_100000692301 [1,0,0,0,1,0|2,0,0]=4 16001 B8R0.8 CCOCC(=O)N(C)C 527a_100102631434_100000211967 [1,0,0,0,1,0|2,0,0]=4 16002 B8R0.8 CCSCC(=O)C(C)C 1458a_100000230394_100000210206 [1,0,0,0,1,0|1,0,0]=3 16003 B8R0.8 CCSCC(=O)C(C)C 62a_100000210202_100000753385 [1,0,0,0,1,0|1,0,0]=3 16004 B8R0.8 CCSCC(=O)C(C)C 62a_100000753385_100000210202 [1,0,0,0,1,0|1,0,0]=3 16005 B8R0.8 CCSCC(=O)N(C)C 11a_100102631434_100000230394 [1,0,0,0,1,0|2,0,0]=4 16006 B8R0.8 CCSCC(=O)N(C)C 1626a_100102631434_100000230394 [1,0,0,0,1,0|2,0,0]=4 16007 B8R0.8 CCSCC(=O)N(C)C 240690a_100102631434_100000230394 [1,0,0,0,1,0|2,0,0]=4 16008 B8R0.8 CCSCC(=O)N(C)C 527a_100102631434_100000230394 [1,0,0,0,1,0|2,0,0]=4 16009 B8R0.8 CCSCC(=O)N(C)C 62a_100000210202_100000692301 [1,0,0,0,1,0|2,0,0]=4 16010 B8R0.8 CCSCC(=O)N(C)C 62a_100000692301_100000210202 [1,0,0,0,1,0|2,0,0]=4 16011 B8R0.8 CN(C)C(=O)CCN[13CH3] 2230a_100000738053_200025704644 [1,0,0,0,1,0|2,0,0]=4 16012 B8R0.8 CN(C)C(=O)CCO[13CH3] 34a_200000747469_200025704644 [1,0,0,0,1,0|2,0,0]=4 16013 B8R0.8 CN(C)C(=O)CCS[13CH3] 62a_100000737620_200025704644 [1,0,0,0,1,0|2,0,0]=4 16014 B8R0.8 CN(C)C(=O)CCS[13CH3] 62a_200025704644_100000737620 [1,0,0,0,1,0|2,0,0]=4 16015 B8R0.8 CNCCC(=O)N(C)C 2230a_100000738053_200000210301 [1,0,0,0,1,0|2,0,0]=4 16016 B8R0.8 CNCCC(=O)N(C)C 2230a_106832991635_100000737620 [1,0,0,0,1,0|2,0,0]=4 16017 B8R0.8 CNCCC(=O)N(C)C 7a_106832991635_100000737620 [1,0,0,0,1,0|2,0,0]=4 16018 B8R0.8 COCCC(=O)C(C)C 1458a_100000210198_100000233755 [1,0,0,0,1,0|1,0,0]=3 16019 B8R0.8 COCCC(=O)C(C)C 1458a_100000749529_100000210206 [1,0,0,0,1,0|1,0,0]=3 16020 B8R0.8 COCCC(=O)C(C)F 1458a_100000062450_100000233755 [1,0,0,0,1,0|2,0,0]=4 16021 B8R0.8 COCCC(=O)N(C)C 11a_100102631434_100000749529 [1,0,0,0,1,0|2,0,0]=4 16022 B8R0.8 COCCC(=O)N(C)C 1626a_100102631434_100000749529 [1,0,0,0,1,0|2,0,0]=4 16023 B8R0.8 COCCC(=O)N(C)C 240690a_100102631434_100000749529 [1,0,0,0,1,0|2,0,0]=4 16024 B8R0.8 COCCC(=O)N(C)C 34a_200000747469_200000210301 [1,0,0,0,1,0|2,0,0]=4 16025 B8R0.8 COCCC(=O)N(C)C 527a_100102631434_100000749529 [1,0,0,0,1,0|2,0,0]=4 16026 B8R0.8 COCCC(=O)[C@@H](C)O 1458a_100000717761_100000233755 [1,0,0,0,1,0|2,0,0]=4 16027 B8R0.8 COCCC(=O)[C@H](C)O 1458a_217856618621_100000233755 [1,0,0,0,1,0|2,0,0]=4 16028 B8R0.8 CSCCC(=O)C(C)C 1458a_100000174002_100000210206 [1,0,0,0,1,0|1,0,0]=3 16029 B8R0.8 CSCCC(=O)C(C)C 1458a_100000210198_100000751147 [1,0,0,0,1,0|1,0,0]=3 16030 B8R0.8 CSCCC(=O)C(C)F 1458a_100000062450_100000751147 [1,0,0,0,1,0|2,0,0]=4 16031 B8R0.8 CSCCC(=O)N(C)C 11a_100102631434_100000174002 [1,0,0,0,1,0|2,0,0]=4 16032 B8R0.8 CSCCC(=O)N(C)C 1626a_100102631434_100000174002 [1,0,0,0,1,0|2,0,0]=4 16033 B8R0.8 CSCCC(=O)N(C)C 240690a_100102631434_100000174002 [1,0,0,0,1,0|2,0,0]=4 16034 B8R0.8 CSCCC(=O)N(C)C 527a_100102631434_100000174002 [1,0,0,0,1,0|2,0,0]=4 16035 B8R0.8 CSCCC(=O)N(C)C 62a_100000737620_200000210301 [1,0,0,0,1,0|2,0,0]=4 16036 B8R0.8 CSCCC(=O)N(C)C 62a_200000210301_100000737620 [1,0,0,0,1,0|2,0,0]=4 16037 B8R0.8 CSCCC(=O)[C@@H](C)O 1458a_100000717761_100000751147 [1,0,0,0,1,0|2,0,0]=4 16038 B8R0.8 CSCCC(=O)[C@H](C)O 1458a_217856618621_100000751147 [1,0,0,0,1,0|2,0,0]=4 16039 B8R0.8 CSCOC(=O)C(C)C 62a_100000139345_200000210301 [1,0,0,0,1,0|1,0,0]=3 16040 B8R0.8 CSCOC(=O)C(C)C 62a_200000210301_100000139345 [1,0,0,0,1,0|1,0,0]=3 16041 B8R0.8 C[C@@H](O)C(=O)CCCF 1458a_100000717761_100011934791 [1,0,0,0,1,0|2,0,0]=4 16042 B8R0.8 C[C@@H](O)C(=O)CCCO 1458a_100000717761_100011215043 [1,0,0,0,1,0|2,0,0]=4 16043 B8R0.8 C[C@H](O)C(=O)CCCF 1458a_217856618621_100011934791 [1,0,0,0,1,0|2,0,0]=4 16044 B8R0.8 C[C@H](O)C(=O)CCCO 1458a_217856618621_100011215043 [1,0,0,0,1,0|2,0,0]=4 16045 B12R0.233 C=C(C)COCC(=O)OCCCC 34a_100000210245_100000211628 [0,0,0,0,0,2|0,0,2]=4 16046 B12R0.233 C=C(C)CSCC(=O)OCCCC 62a_100000211628_100000211660 [0,0,0,0,0,2|0,0,2]=4 16047 B12R0.233 C=C(C)CSCC(=O)OCCCC 62a_100000748629_100000211628 [0,0,0,0,0,2|0,0,2]=4 16048 B12R0.233 CC(C)/C=C/CC(=O)CCCCF 1458a_100016292215_100000729493 [0,0,0,0,0,2|2,0,0]=4 16049 B12R0.233 CC(C)/C=C/CC(=O)CCCCO 1458a_100016292215_100000210776 [0,0,0,0,0,2|2,0,0]=4 16050 B12R0.233 CC(C)/C=C/CC(=O)NCCCF 11a_100015189416_100016292215 [0,0,0,0,0,2|2,0,0]=4 16051 B12R0.233 CC(C)/C=C/CC(=O)NCCCF 1626a_100015189416_100016292215 [0,0,0,0,0,2|2,0,0]=4 16052 B12R0.233 CC(C)/C=C/CC(=O)NCCCF 240690a_100015189416_100016292215 [0,0,0,0,0,2|2,0,0]=4 16053 B12R0.233 CC(C)/C=C/CC(=O)NCCCO 240690a_100000182051_100016292215 [0,0,0,0,0,2|2,0,0]=4 16054 B12R0.233 CC(C)CCCC(=O)CCCCF 1458a_100011216857_100000729493 [0,0,0,0,0,2|2,0,0]=4 16055 B12R0.233 CC(C)CCCC(=O)CCCCO 1458a_100000695505_100011214892 [0,0,0,0,0,2|2,0,0]=4 16056 B12R0.233 CC(C)CCCC(=O)CCCCO 1458a_100011216857_100000210776 [0,0,0,0,0,2|2,0,0]=4 16057 B12R0.233 CC(C)CCCC(=O)NCCCF 11a_100015189416_100011216857 [0,0,0,0,0,2|2,0,0]=4 16058 B12R0.233 CC(C)CCCC(=O)NCCCF 1626a_100015189416_100011216857 [0,0,0,0,0,2|2,0,0]=4 16059 B12R0.233 CC(C)CCCC(=O)NCCCF 240690a_100015189416_100011216857 [0,0,0,0,0,2|2,0,0]=4 16060 B12R0.233 CC(C)CCCC(=O)NCCCF 527a_100015189416_100011216857 [0,0,0,0,0,2|2,0,0]=4 16061 B12R0.233 CC(C)CCCC(=O)NCCCO 240690a_100000182051_100011216857 [0,0,0,0,0,2|2,0,0]=4 16062 B12R0.233 CC(C)CCCC(=O)NCCCO 527a_100000182051_100011216857 [0,0,0,0,0,2|2,0,0]=4 16063 B12R0.233 CC(C)CCNC(=O)CCCCO 1626a_100000210545_100000695505 [0,0,0,0,0,2|2,0,0]=4 16064 B12R0.233 CC(C)CCNC(=O)NCCCF 2708a_100000210545_100015189416 [0,0,0,0,0,2|2,0,0]=4 16065 B12R0.233 CC(C)CCNC(=O)NCCCF 2708a_100015189416_100000210545 [0,0,0,0,0,2|2,0,0]=4 16066 B12R0.233 CC(C)CCNC(=O)NCCCF 273464a_100000210545_100015189416 [0,0,0,0,0,2|2,0,0]=4 16067 B12R0.233 CC(C)CCNC(=O)NCCCF 273464a_100015189416_100000210545 [0,0,0,0,0,2|2,0,0]=4 16068 B12R0.233 CC(C)CCNC(=O)NCCCF 512a_100000210545_100015189416 [0,0,0,0,0,2|2,0,0]=4 16069 B12R0.233 CC(C)CCNC(=O)NCCCF 512a_100015189416_100000210545 [0,0,0,0,0,2|2,0,0]=4 16070 B12R0.233 CC(C)CCNC(=O)NCCCO 2708a_100000210545_100000182051 [0,0,0,0,0,2|2,0,0]=4 16071 B12R0.233 CC(C)CCNC(=O)NCCCO 273464a_100000182051_100000210545 [0,0,0,0,0,2|2,0,0]=4 16072 B12R0.233 CC(C)CCNC(=O)NCCCO 273464a_100000210545_100000182051 [0,0,0,0,0,2|2,0,0]=4 16073 B12R0.233 CC(C)CCNC(=O)NCCCO 512a_100000210545_100000182051 [0,0,0,0,0,2|2,0,0]=4 16074 B12R0.233 CC(C)CNNC(=O)NCCCF 273464a_100015189416_100000696102 [0,0,0,0,0,2|2,0,0]=4 16075 B12R0.233 CC(C)CNNC(=O)NCCCF 512a_100000696102_100015189416 [0,0,0,0,0,2|2,0,0]=4 16076 B12R0.233 CC(C)CNNC(=O)NCCCF 512a_100015189416_100000696102 [0,0,0,0,0,2|2,0,0]=4 16077 B12R0.233 CC(C)CNNC(=O)NCCCO 273464a_100000182051_100000696102 [0,0,0,0,0,2|2,0,0]=4 16078 B12R0.233 CC(C)CNNC(=O)NCCCO 512a_100000696102_100000182051 [0,0,0,0,0,2|2,0,0]=4 16079 B12R0.233 CC(C)COCC(=O)CCCCF 1458a_100011223364_100000729493 [0,0,0,0,0,2|2,0,0]=4 16080 B12R0.233 CC(C)COCC(=O)CCCCO 1458a_100011223364_100000210776 [0,0,0,0,0,2|2,0,0]=4 16081 B12R0.233 CC(C)COCC(=O)NCCCF 11a_100015189416_100011223364 [0,0,0,0,0,2|2,0,0]=4 16082 B12R0.233 CC(C)COCC(=O)NCCCF 1626a_100015189416_100011223364 [0,0,0,0,0,2|2,0,0]=4 16083 B12R0.233 CC(C)COCC(=O)NCCCF 240690a_100015189416_100011223364 [0,0,0,0,0,2|2,0,0]=4 16084 B12R0.233 CC(C)COCC(=O)NCCCF 527a_100015189416_100011223364 [0,0,0,0,0,2|2,0,0]=4 16085 B12R0.233 CC(C)COCC(=O)NCCCO 240690a_100000182051_100011223364 [0,0,0,0,0,2|2,0,0]=4 16086 B12R0.233 CC(C)COCC(=O)NCCCO 527a_100000182051_100011223364 [0,0,0,0,0,2|2,0,0]=4 16087 B12R0.233 CC(C)OCCC(=O)CCCCO 1458a_100000695505_100000211751 [0,0,0,0,0,2|2,0,0]=4 16088 B12R0.233 CC(C)SCCC(=O)CCCCO 1458a_100000695505_100000730970 [0,0,0,0,0,2|2,0,0]=4 16089 B12R0.233 CCCC#CC(=O)CCCC(C)C 1458a_200011218047_100011214892 [0,0,0,0,0,2|1,0,1]=4 16090 B12R0.233 CCCC#CC(=O)CCOC(C)C 1458a_200011218047_100000211751 [0,0,0,0,0,2|1,0,1]=4 16091 B12R0.233 CCCC#CC(=O)CCSC(C)C 1458a_200011218047_100000730970 [0,0,0,0,0,2|1,0,1]=4 16092 B12R0.233 CCCC#CC(=O)NCCC(C)C 240690a_100000210545_200011218047 [0,0,0,0,0,2|1,0,1]=4 16093 B12R0.233 CCCC#CC(=O)NNCC(C)C 22a_100000696102_200011218047 [0,0,0,0,0,2|1,0,1]=4 16094 B12R0.233 CCCC=CC(=O)CCCC(C)C 1458a_100000212230_100011214892 [0,0,0,0,0,2|1,0,1]=4 16095 B12R0.233 CCCC=CC(=O)CCOC(C)C 1458a_100000212230_100000211751 [0,0,0,0,0,2|1,0,1]=4 16096 B12R0.233 CCCC=CC(=O)CCSC(C)C 1458a_100000212230_100000730970 [0,0,0,0,0,2|1,0,1]=4 16097 B12R0.233 CCCC=CC(=O)NCCC(C)C 11a_100000210545_100000212230 [0,0,0,0,0,2|1,0,1]=4 16098 B12R0.233 CCCC=CC(=O)NCCC(C)C 1626a_100000210545_100000212230 [0,0,0,0,0,2|1,0,1]=4 16099 B12R0.233 CCCC=CC(=O)NCCC(C)C 240690a_100000210545_100000212230 [0,0,0,0,0,2|1,0,1]=4 16100 B12R0.233 CCCC=CC(=O)NNCC(C)C 22a_100000696102_100000212230 [0,0,0,0,0,2|1,0,1]=4 16101 B12R0.233 CCCCCC(=O)C/C=C/C(C)C 1458a_100016292215_100000210326 [0,0,0,0,0,2|1,0,0]=3 16102 B12R0.233 CCCCCC(=O)C=CCN(C)C 1458a_100000754359_100000210326 [0,0,0,0,0,2|2,0,0]=4 16103 B12R0.233 CCCCCC(=O)CCC=C(C)C 1458a_100000212188_100011217483 [0,0,0,0,0,2|1,0,1]=4 16104 B12R0.233 CCCCCC(=O)CCCC(C)C 1458a_100000212188_100011214892 [0,0,0,0,0,2|1,0,0]=3 16105 B12R0.233 CCCCCC(=O)CCCC(C)C 1458a_100011216857_100000210326 [0,0,0,0,0,2|1,0,0]=3 16106 B12R0.233 CCCCCC(=O)CCCC(C)O 1458a_100000212188_200000718107 [0,0,0,0,0,2|2,0,0]=4 16107 B12R0.233 CCCCCC(=O)CCCN(C)C 1458a_100000212188_100000695564 [0,0,0,0,0,2|2,0,0]=4 16108 B12R0.233 CCCCCC(=O)CCOC(C)C 1458a_100000212188_100000211751 [0,0,0,0,0,2|1,0,0]=3 16109 B12R0.233 CCCCCC(=O)CCSC(C)C 1458a_100000212188_100000730970 [0,0,0,0,0,2|1,0,0]=3 16110 B12R0.233 CCCCCC(=O)CNCC(C)C 2230a_100000210953_200012276598 [0,0,0,0,0,2|1,0,0]=3 16111 B12R0.233 CCCCCC(=O)CNCC(C)C 34a_100000210953_200012276598 [0,0,0,0,0,2|1,0,0]=3 16112 B12R0.233 CCCCCC(=O)CNCC(C)O 2230a_100000210904_200012276598 [0,0,0,0,0,2|2,0,0]=4 16113 B12R0.233 CCCCCC(=O)CNCC(C)O 34a_100000210904_200012276598 [0,0,0,0,0,2|2,0,0]=4 16114 B12R0.233 CCCCCC(=O)COCC(C)Br 34a_100012180447_200012276598 [0,0,0,0,0,2|2,0,0]=4 16115 B12R0.233 CCCCCC(=O)COCC(C)C 1458a_100011223364_100000210326 [0,0,0,0,0,2|1,0,0]=3 16116 B12R0.233 CCCCCC(=O)COCC(C)C 34a_100000210257_200012276598 [0,0,0,0,0,2|1,0,0]=3 16117 B12R0.233 CCCCCC(=O)COCC(C)F 34a_100015925927_200012276598 [0,0,0,0,0,2|2,0,0]=4 16118 B12R0.233 CCCCCC(=O)COC[C@@H](C)Cl 34a_100016084084_200012276598 [0,0,0,0,0,2|2,0,0]=4 16119 B12R0.233 CCCCCC(=O)COC[C@@H](C)N 34a_100000737577_200012276598 [0,0,0,0,0,2|2,0,0]=4 16120 B12R0.233 CCCCCC(=O)CSCC(C)C 62a_100000210624_200012276598 [0,0,0,0,0,2|1,0,0]=3 16121 B12R0.233 CCCCCC(=O)CSCC(C)C 62a_200012276598_100000210760 [0,0,0,0,0,2|1,0,0]=3 16122 B12R0.233 CCCCCC(=O)CSCC(C)O 62a_100011218427_200012276598 [0,0,0,0,0,2|2,0,0]=4 16123 B12R0.233 CCCCCC(=O)CSCC(C)O 62a_200012276598_100011218427 [0,0,0,0,0,2|2,0,0]=4 16124 B12R0.233 CCCCCC(=O)CSC[C@@H](C)O 62a_100009817552_200012276598 [0,0,0,0,0,2|2,0,0]=4 16125 B12R0.233 CCCCCC(=O)CSC[C@@H](C)O 62a_200012276598_100009817552 [0,0,0,0,0,2|2,0,0]=4 16126 B12R0.233 CCCCCC(=O)NCC=C(C)C 11a_100000718196_100000212188 [0,0,0,0,0,2|1,0,1]=4 16127 B12R0.233 CCCCCC(=O)NCC=C(C)C 1626a_100000718196_100000212188 [0,0,0,0,0,2|1,0,1]=4 16128 B12R0.233 CCCCCC(=O)NCC=C(C)C 527a_100000718196_100000212188 [0,0,0,0,0,2|1,0,1]=4 16129 B12R0.233 CCCCCC(=O)NCCC(C)C 11a_100000210545_100000212188 [0,0,0,0,0,2|1,0,0]=3 16130 B12R0.233 CCCCCC(=O)NCCC(C)C 1626a_100000210545_100000212188 [0,0,0,0,0,2|1,0,0]=3 16131 B12R0.233 CCCCCC(=O)NCCC(C)C 240690a_100000210545_100000212188 [0,0,0,0,0,2|1,0,0]=3 16132 B12R0.233 CCCCCC(=O)NCCC(C)C 527a_100000210545_100000212188 [0,0,0,0,0,2|1,0,0]=3 16133 B12R0.233 CCCCCC(=O)NCCC(C)O 240690a_200000755665_100000212188 [0,0,0,0,0,2|2,0,0]=4 16134 B12R0.233 CCCCCC(=O)NCCC(C)O 527a_200000755665_100000212188 [0,0,0,0,0,2|2,0,0]=4 16135 B12R0.233 CCCCCC(=O)NCCN(C)C 240690a_100000210585_100000212188 [0,0,0,0,0,2|2,0,0]=4 16136 B12R0.233 CCCCCC(=O)NCCN(C)C 527a_100000210585_100000212188 [0,0,0,0,0,2|2,0,0]=4 16137 B12R0.233 CCCCCC(=O)NN=CC(C)C 4a_100000189784_100000210432 [0,0,0,0,0,2|1,0,1]=4 16138 B12R0.233 CCCCCC(=O)NNCC(C)C 22a_100000696102_100000212188 [0,0,0,0,0,2|1,0,0]=3 16139 B12R0.233 CCCCCC(=O)NNCC(C)O 22a_200000730056_100000212188 [0,0,0,0,0,2|2,0,0]=4 16140 B12R0.233 CCCCNC(=O)C/C=C/C(C)C 11a_100000102301_100016292215 [0,0,0,0,0,2|1,0,0]=3 16141 B12R0.233 CCCCNC(=O)C/C=C/C(C)C 1626a_100000102301_100016292215 [0,0,0,0,0,2|1,0,0]=3 16142 B12R0.233 CCCCNC(=O)C/C=C/C(C)C 240690a_100000102301_100016292215 [0,0,0,0,0,2|1,0,0]=3 16143 B12R0.233 CCCCNC(=O)C=CCN(C)C 240690a_100000102301_100000754359 [0,0,0,0,0,2|2,0,0]=4 16144 B12R0.233 CCCCNC(=O)CCCC(C)C 11a_100000102301_100011216857 [0,0,0,0,0,2|1,0,0]=3 16145 B12R0.233 CCCCNC(=O)CCCC(C)C 1626a_100000102301_100011216857 [0,0,0,0,0,2|1,0,0]=3 16146 B12R0.233 CCCCNC(=O)CCCC(C)C 240690a_100000102301_100011216857 [0,0,0,0,0,2|1,0,0]=3 16147 B12R0.233 CCCCNC(=O)CCCC(C)C 527a_100000102301_100011216857 [0,0,0,0,0,2|1,0,0]=3 16148 B12R0.233 CCCCNC(=O)CCCC(C)O 1626a_100000102301_100000761597 [0,0,0,0,0,2|2,0,0]=4 16149 B12R0.233 CCCCNC(=O)CCCC(C)O 527a_100000102301_100000761597 [0,0,0,0,0,2|2,0,0]=4 16150 B12R0.233 CCCCNC(=O)CCCN(C)C 11a_100000102301_100000740757 [0,0,0,0,0,2|2,0,0]=4 16151 B12R0.233 CCCCNC(=O)CCCN(C)C 240690a_100000102301_100000740757 [0,0,0,0,0,2|2,0,0]=4 16152 B12R0.233 CCCCNC(=O)CNCC(C)C 2230a_100000210953_100000182744 [0,0,0,0,0,2|1,0,0]=3 16153 B12R0.233 CCCCNC(=O)CNCC(C)C 34a_100000210953_100000182744 [0,0,0,0,0,2|1,0,0]=3 16154 B12R0.233 CCCCNC(=O)CNCC(C)O 2230a_100000210904_100000182744 [0,0,0,0,0,2|2,0,0]=4 16155 B12R0.233 CCCCNC(=O)CNCC(C)O 34a_100000210904_100000182744 [0,0,0,0,0,2|2,0,0]=4 16156 B12R0.233 CCCCNC(=O)COCC(C)Br 34a_100012180447_100000182744 [0,0,0,0,0,2|2,0,0]=4 16157 B12R0.233 CCCCNC(=O)COCC(C)C 11a_100000102301_100011223364 [0,0,0,0,0,2|1,0,0]=3 16158 B12R0.233 CCCCNC(=O)COCC(C)C 1626a_100000102301_100011223364 [0,0,0,0,0,2|1,0,0]=3 16159 B12R0.233 CCCCNC(=O)COCC(C)C 240690a_100000102301_100011223364 [0,0,0,0,0,2|1,0,0]=3 16160 B12R0.233 CCCCNC(=O)COCC(C)C 34a_100000210257_100000182744 [0,0,0,0,0,2|1,0,0]=3 16161 B12R0.233 CCCCNC(=O)COCC(C)C 527a_100000102301_100011223364 [0,0,0,0,0,2|1,0,0]=3 16162 B12R0.233 CCCCNC(=O)COCC(C)F 34a_100015925927_100000182744 [0,0,0,0,0,2|2,0,0]=4 16163 B12R0.233 CCCCNC(=O)COC[C@@H](C)Cl 34a_100016084084_100000182744 [0,0,0,0,0,2|2,0,0]=4 16164 B12R0.233 CCCCNC(=O)COC[C@@H](C)N 34a_100000737577_100000182744 [0,0,0,0,0,2|2,0,0]=4 16165 B12R0.233 CCCCNC(=O)CSCC(C)C 62a_100000182744_100000210760 [0,0,0,0,0,2|1,0,0]=3 16166 B12R0.233 CCCCNC(=O)CSCC(C)C 62a_100000210624_100000182744 [0,0,0,0,0,2|1,0,0]=3 16167 B12R0.233 CCCCNC(=O)CSCC(C)O 62a_100000182744_100011218427 [0,0,0,0,0,2|2,0,0]=4 16168 B12R0.233 CCCCNC(=O)CSCC(C)O 62a_100011218427_100000182744 [0,0,0,0,0,2|2,0,0]=4 16169 B12R0.233 CCCCNC(=O)CSC[C@@H](C)O 62a_100000182744_100009817552 [0,0,0,0,0,2|2,0,0]=4 16170 B12R0.233 CCCCNC(=O)CSC[C@@H](C)O 62a_100009817552_100000182744 [0,0,0,0,0,2|2,0,0]=4 16171 B12R0.233 CCCCNC(=O)NCC=C(C)C 2708a_100000102301_100000718196 [0,0,0,0,0,2|1,0,1]=4 16172 B12R0.233 CCCCNC(=O)NCC=C(C)C 2708a_100000718196_100000102301 [0,0,0,0,0,2|1,0,1]=4 16173 B12R0.233 CCCCNC(=O)NCC=C(C)C 273464a_100000102301_100000718196 [0,0,0,0,0,2|1,0,1]=4 16174 B12R0.233 CCCCNC(=O)NCC=C(C)C 273464a_100000718196_100000102301 [0,0,0,0,0,2|1,0,1]=4 16175 B12R0.233 CCCCNC(=O)NCC=C(C)C 512a_100000102301_100000718196 [0,0,0,0,0,2|1,0,1]=4 16176 B12R0.233 CCCCNC(=O)NCC=C(C)C 512a_100000718196_100000102301 [0,0,0,0,0,2|1,0,1]=4 16177 B12R0.233 CCCCNC(=O)NCCC(C)C 2708a_100000102301_100000210545 [0,0,0,0,0,2|1,0,0]=3 16178 B12R0.233 CCCCNC(=O)NCCC(C)C 2708a_100000210545_100000102301 [0,0,0,0,0,2|1,0,0]=3 16179 B12R0.233 CCCCNC(=O)NCCC(C)C 273464a_100000102301_100000210545 [0,0,0,0,0,2|1,0,0]=3 16180 B12R0.233 CCCCNC(=O)NCCC(C)C 273464a_100000210545_100000102301 [0,0,0,0,0,2|1,0,0]=3 16181 B12R0.233 CCCCNC(=O)NCCC(C)C 512a_100000102301_100000210545 [0,0,0,0,0,2|1,0,0]=3 16182 B12R0.233 CCCCNC(=O)NCCC(C)C 512a_100000210545_100000102301 [0,0,0,0,0,2|1,0,0]=3 16183 B12R0.233 CCCCNC(=O)NCCC(C)O 2708a_100000102301_200000755665 [0,0,0,0,0,2|2,0,0]=4 16184 B12R0.233 CCCCNC(=O)NCCC(C)O 273464a_200000755665_100000102301 [0,0,0,0,0,2|2,0,0]=4 16185 B12R0.233 CCCCNC(=O)NCCC(C)O 512a_100000102301_200000755665 [0,0,0,0,0,2|2,0,0]=4 16186 B12R0.233 CCCCNC(=O)NCCC(C)O 512a_200000755665_100000102301 [0,0,0,0,0,2|2,0,0]=4 16187 B12R0.233 CCCCNC(=O)NCCN(C)C 2708a_100000102301_100000210585 [0,0,0,0,0,2|2,0,0]=4 16188 B12R0.233 CCCCNC(=O)NCCN(C)C 273464a_100000102301_100000210585 [0,0,0,0,0,2|2,0,0]=4 16189 B12R0.233 CCCCNC(=O)NCCN(C)C 273464a_100000210585_100000102301 [0,0,0,0,0,2|2,0,0]=4 16190 B12R0.233 CCCCNC(=O)NCCN(C)C 512a_100000102301_100000210585 [0,0,0,0,0,2|2,0,0]=4 16191 B12R0.233 CCCCNC(=O)NNCC(C)C 273464a_100000102301_100000696102 [0,0,0,0,0,2|1,0,0]=3 16192 B12R0.233 CCCCNC(=O)NNCC(C)C 512a_100000102301_100000696102 [0,0,0,0,0,2|1,0,0]=3 16193 B12R0.233 CCCCNC(=O)NNCC(C)C 512a_100000696102_100000102301 [0,0,0,0,0,2|1,0,0]=3 16194 B12R0.233 CCCCNC(=O)NNCC(C)O 512a_100000102301_200000730056 [0,0,0,0,0,2|2,0,0]=4 16195 B12R0.233 CCCCNC(=O)NNCC(C)O 512a_200000730056_100000102301 [0,0,0,0,0,2|2,0,0]=4 16196 B12R0.233 CCCCOC(=O)CNCC(C)C 2230a_100000210953_100000211628 [0,0,0,0,0,2|0,0,0]=2 16197 B12R0.233 CCCCOC(=O)CNCC(C)C 34a_100000210953_100000211628 [0,0,0,0,0,2|0,0,0]=2 16198 B12R0.233 CCCCOC(=O)CNCC(C)O 2230a_100000210904_100000211628 [0,0,0,0,0,2|1,0,0]=3 16199 B12R0.233 CCCCOC(=O)CNCC(C)O 34a_100000210904_100000211628 [0,0,0,0,0,2|1,0,0]=3 16200 B12R0.233 CCCCOC(=O)CNCC(F)F 34a_100000765723_100000211628 [0,0,0,0,0,2|2,0,0]=4 16201 B12R0.233 CCCCOC(=O)COCC(=O)C 34a_100000211253_100000211628 [0,0,0,0,0,2|1,0,1]=4 16202 B12R0.233 CCCCOC(=O)COCC(C)Br 34a_100012180447_100000211628 [0,0,0,0,0,2|1,0,0]=3 16203 B12R0.233 CCCCOC(=O)COCC(C)C 34a_100000210257_100000211628 [0,0,0,0,0,2|0,0,0]=2 16204 B12R0.233 CCCCOC(=O)COCC(C)F 34a_100015925927_100000211628 [0,0,0,0,0,2|1,0,0]=3 16205 B12R0.233 CCCCOC(=O)COCC(F)F 34a_100000743014_100000211628 [0,0,0,0,0,2|2,0,0]=4 16206 B12R0.233 CCCCOC(=O)COC[C@@H](C)Cl 34a_100016084084_100000211628 [0,0,0,0,0,2|1,0,0]=3 16207 B12R0.233 CCCCOC(=O)COC[C@@H](C)N 34a_100000737577_100000211628 [0,0,0,0,0,2|1,0,0]=3 16208 B12R0.233 CCCCOC(=O)CSCC(C)C 62a_100000210624_100000211628 [0,0,0,0,0,2|0,0,0]=2 16209 B12R0.233 CCCCOC(=O)CSCC(C)C 62a_100000211628_100000210760 [0,0,0,0,0,2|0,0,0]=2 16210 B12R0.233 CCCCOC(=O)CSCC(C)O 62a_100000211628_100011218427 [0,0,0,0,0,2|1,0,0]=3 16211 B12R0.233 CCCCOC(=O)CSCC(C)O 62a_100011218427_100000211628 [0,0,0,0,0,2|1,0,0]=3 16212 B12R0.233 CCCCOC(=O)CSCC(F)F 62a_100000211628_100011934356 [0,0,0,0,0,2|2,0,0]=4 16213 B12R0.233 CCCCOC(=O)CSCC(F)F 62a_100011934356_100000211628 [0,0,0,0,0,2|2,0,0]=4 16214 B12R0.233 CCCCOC(=O)CSC[C@@H](C)O 62a_100000211628_100009817552 [0,0,0,0,0,2|1,0,0]=3 16215 B12R0.233 CCCCOC(=O)CSC[C@@H](C)O 62a_100009817552_100000211628 [0,0,0,0,0,2|1,0,0]=3 16216 B12R0.233 CCCCOC(C)CCCC(C)C 34a_200011218570_100000210210 [0,0,0,0,0,2|1,0,1]=4 16217 B12R0.233 CCCCOC(C)CCCC(C)C 7a_200011218570_100000210211 [0,0,0,0,0,2|1,0,1]=4 16218 B12R0.233 CCCNNC(=O)C/C=C/C(C)C 22a_100000740057_100016292215 [0,0,0,0,0,2|2,0,0]=4 16219 B12R0.233 CCCNNC(=O)CCCC(C)C 22a_100000740057_100011216857 [0,0,0,0,0,2|2,0,0]=4 16220 B12R0.233 CCCNNC(=O)COCC(C)C 22a_100000740057_100011223364 [0,0,0,0,0,2|2,0,0]=4 16221 B12R0.233 CCCNNC(=O)NCCC(C)C 273464a_100000210545_100000740057 [0,0,0,0,0,2|2,0,0]=4 16222 B12R0.233 CCCNNC(=O)NCCC(C)C 512a_100000210545_100000740057 [0,0,0,0,0,2|2,0,0]=4 16223 B12R0.233 CCCNNC(=O)NCCC(C)C 512a_100000740057_100000210545 [0,0,0,0,0,2|2,0,0]=4 16224 B12R0.233 CCCNNC(=O)NNCC(C)C 512a_100000696102_100000740057 [0,0,0,0,0,2|2,0,0]=4 16225 B12R0.233 CCCNNC(=O)NNCC(C)C 512a_100000740057_100000696102 [0,0,0,0,0,2|2,0,0]=4 16226 B12R0.233 CCCOCC(=O)CCCC(C)C 1458a_100000745993_100011214892 [0,0,0,0,0,2|2,0,0]=4 16227 B12R0.233 CCCOCC(=O)CCOC(C)C 1458a_100000745993_100000211751 [0,0,0,0,0,2|2,0,0]=4 16228 B12R0.233 CCCOCC(=O)CCSC(C)C 1458a_100000745993_100000730970 [0,0,0,0,0,2|2,0,0]=4 16229 B12R0.233 CCCOCC(=O)NCCC(C)C 11a_100000210545_100000745993 [0,0,0,0,0,2|2,0,0]=4 16230 B12R0.233 CCCOCC(=O)NCCC(C)C 1626a_100000210545_100000745993 [0,0,0,0,0,2|2,0,0]=4 16231 B12R0.233 CCCOCC(=O)NCCC(C)C 240690a_100000210545_100000745993 [0,0,0,0,0,2|2,0,0]=4 16232 B12R0.233 CCCOCC(=O)NCCC(C)C 527a_100000210545_100000745993 [0,0,0,0,0,2|2,0,0]=4 16233 B12R0.233 CCCOCC(=O)NNCC(C)C 22a_100000696102_100000745993 [0,0,0,0,0,2|2,0,0]=4 16234 B12R0.233 CCCSCC(=O)CCCC(C)C 1458a_100000217233_100011214892 [0,0,0,0,0,2|2,0,0]=4 16235 B12R0.233 CCCSCC(=O)CCOC(C)C 1458a_100000217233_100000211751 [0,0,0,0,0,2|2,0,0]=4 16236 B12R0.233 CCCSCC(=O)CCSC(C)C 1458a_100000217233_100000730970 [0,0,0,0,0,2|2,0,0]=4 16237 B12R0.233 CCCSCC(=O)NCCC(C)C 11a_100000210545_100000217233 [0,0,0,0,0,2|2,0,0]=4 16238 B12R0.233 CCCSCC(=O)NCCC(C)C 1626a_100000210545_100000217233 [0,0,0,0,0,2|2,0,0]=4 16239 B12R0.233 CCCSCC(=O)NCCC(C)C 240690a_100000210545_100000217233 [0,0,0,0,0,2|2,0,0]=4 16240 B12R0.233 CCCSCC(=O)NCCC(C)C 527a_100000210545_100000217233 [0,0,0,0,0,2|2,0,0]=4 16241 B12R0.233 CCCSCC(=O)NNCC(C)C 22a_100000696102_100000217233 [0,0,0,0,0,2|2,0,0]=4 16242 B12R0.233 CCOCCC(=O)C/C=C/C(C)C 1458a_100016292215_100011215890 [0,0,0,0,0,2|2,0,0]=4 16243 B12R0.233 CCOCCC(=O)CCCC(C)C 1458a_100000749530_100011214892 [0,0,0,0,0,2|2,0,0]=4 16244 B12R0.233 CCOCCC(=O)CCCC(C)C 1458a_100011216857_100011215890 [0,0,0,0,0,2|2,0,0]=4 16245 B12R0.233 CCOCCC(=O)CCOC(C)C 1458a_100000749530_100000211751 [0,0,0,0,0,2|2,0,0]=4 16246 B12R0.233 CCOCCC(=O)CCSC(C)C 1458a_100000749530_100000730970 [0,0,0,0,0,2|2,0,0]=4 16247 B12R0.233 CCOCCC(=O)COCC(C)C 1458a_100011223364_100011215890 [0,0,0,0,0,2|2,0,0]=4 16248 B12R0.233 CCOCCC(=O)NCCC(C)C 11a_100000210545_100000749530 [0,0,0,0,0,2|2,0,0]=4 16249 B12R0.233 CCOCCC(=O)NCCC(C)C 1626a_100000210545_100000749530 [0,0,0,0,0,2|2,0,0]=4 16250 B12R0.233 CCOCCC(=O)NCCC(C)C 240690a_100000210545_100000749530 [0,0,0,0,0,2|2,0,0]=4 16251 B12R0.233 CCOCCC(=O)NCCC(C)C 527a_100000210545_100000749530 [0,0,0,0,0,2|2,0,0]=4 16252 B12R0.233 CCOCCC(=O)NNCC(C)C 22a_100000696102_100000749530 [0,0,0,0,0,2|2,0,0]=4 16253 B12R0.233 CCSCCC(=O)C/C=C/C(C)C 1458a_100016292215_100000757381 [0,0,0,0,0,2|2,0,0]=4 16254 B12R0.233 CCSCCC(=O)CCCC(C)C 1458a_100000230768_100011214892 [0,0,0,0,0,2|2,0,0]=4 16255 B12R0.233 CCSCCC(=O)CCCC(C)C 1458a_100011216857_100000757381 [0,0,0,0,0,2|2,0,0]=4 16256 B12R0.233 CCSCCC(=O)CCOC(C)C 1458a_100000230768_100000211751 [0,0,0,0,0,2|2,0,0]=4 16257 B12R0.233 CCSCCC(=O)CCSC(C)C 1458a_100000230768_100000730970 [0,0,0,0,0,2|2,0,0]=4 16258 B12R0.233 CCSCCC(=O)COCC(C)C 1458a_100011223364_100000757381 [0,0,0,0,0,2|2,0,0]=4 16259 B12R0.233 CCSCCC(=O)NCCC(C)C 11a_100000210545_100000230768 [0,0,0,0,0,2|2,0,0]=4 16260 B12R0.233 CCSCCC(=O)NCCC(C)C 1626a_100000210545_100000230768 [0,0,0,0,0,2|2,0,0]=4 16261 B12R0.233 CCSCCC(=O)NCCC(C)C 240690a_100000210545_100000230768 [0,0,0,0,0,2|2,0,0]=4 16262 B12R0.233 CCSCCC(=O)NCCC(C)C 527a_100000210545_100000230768 [0,0,0,0,0,2|2,0,0]=4 16263 B12R0.233 CCSCCC(=O)NNCC(C)C 22a_100000696102_100000230768 [0,0,0,0,0,2|2,0,0]=4 16264 B12R0.233 COCCCC(=O)C/C=C/C(C)C 1458a_100016292215_100000740836 [0,0,0,0,0,2|2,0,0]=4 16265 B12R0.233 COCCCC(=O)CCCC(C)C 1458a_100000741012_100011214892 [0,0,0,0,0,2|2,0,0]=4 16266 B12R0.233 COCCCC(=O)CCCC(C)C 1458a_100011216857_100000740836 [0,0,0,0,0,2|2,0,0]=4 16267 B12R0.233 COCCCC(=O)CCOC(C)C 1458a_100000741012_100000211751 [0,0,0,0,0,2|2,0,0]=4 16268 B12R0.233 COCCCC(=O)CCSC(C)C 1458a_100000741012_100000730970 [0,0,0,0,0,2|2,0,0]=4 16269 B12R0.233 COCCCC(=O)COCC(C)C 1458a_100011223364_100000740836 [0,0,0,0,0,2|2,0,0]=4 16270 B12R0.233 COCCCC(=O)NCCC(C)C 11a_100000210545_100000741012 [0,0,0,0,0,2|2,0,0]=4 16271 B12R0.233 COCCCC(=O)NCCC(C)C 1626a_100000210545_100000741012 [0,0,0,0,0,2|2,0,0]=4 16272 B12R0.233 COCCCC(=O)NCCC(C)C 240690a_100000210545_100000741012 [0,0,0,0,0,2|2,0,0]=4 16273 B12R0.233 COCCCC(=O)NCCC(C)C 527a_100000210545_100000741012 [0,0,0,0,0,2|2,0,0]=4 16274 B12R0.233 COCCCC(=O)NNCC(C)C 22a_100000696102_100000741012 [0,0,0,0,0,2|2,0,0]=4 16275 B12R0.233 COCCNC(=O)C/C=C/C(C)C 1626a_100000209980_100016292215 [0,0,0,0,0,2|2,0,0]=4 16276 B12R0.233 COCCNC(=O)C/C=C/C(C)C 240690a_100000209980_100016292215 [0,0,0,0,0,2|2,0,0]=4 16277 B12R0.233 COCCNC(=O)CCCC(C)C 1626a_100000209980_100011216857 [0,0,0,0,0,2|2,0,0]=4 16278 B12R0.233 COCCNC(=O)CCCC(C)C 240690a_100000209980_100011216857 [0,0,0,0,0,2|2,0,0]=4 16279 B12R0.233 COCCNC(=O)CCCC(C)C 527a_100000209980_100011216857 [0,0,0,0,0,2|2,0,0]=4 16280 B12R0.233 COCCNC(=O)CNCC(C)C 2230a_100000210953_100000183275 [0,0,0,0,0,2|2,0,0]=4 16281 B12R0.233 COCCNC(=O)CNCC(C)C 2230a_100000754632_100000210760 [0,0,0,0,0,2|2,0,0]=4 16282 B12R0.233 COCCNC(=O)CNCC(C)C 34a_100000210953_100000183275 [0,0,0,0,0,2|2,0,0]=4 16283 B12R0.233 COCCNC(=O)COCC(C)C 1626a_100000209980_100011223364 [0,0,0,0,0,2|2,0,0]=4 16284 B12R0.233 COCCNC(=O)COCC(C)C 240690a_100000209980_100011223364 [0,0,0,0,0,2|2,0,0]=4 16285 B12R0.233 COCCNC(=O)COCC(C)C 34a_100000210257_100000183275 [0,0,0,0,0,2|2,0,0]=4 16286 B12R0.233 COCCNC(=O)COCC(C)C 527a_100000209980_100011223364 [0,0,0,0,0,2|2,0,0]=4 16287 B12R0.233 COCCNC(=O)CSCC(C)C 62a_100000183275_100000210760 [0,0,0,0,0,2|2,0,0]=4 16288 B12R0.233 COCCNC(=O)CSCC(C)C 62a_100000210624_100000183275 [0,0,0,0,0,2|2,0,0]=4 16289 B12R0.233 COCCNC(=O)NCCC(C)C 2708a_100000210545_100000209980 [0,0,0,0,0,2|2,0,0]=4 16290 B12R0.233 COCCNC(=O)NCCC(C)C 273464a_100000209980_100000210545 [0,0,0,0,0,2|2,0,0]=4 16291 B12R0.233 COCCNC(=O)NCCC(C)C 273464a_100000210545_100000209980 [0,0,0,0,0,2|2,0,0]=4 16292 B12R0.233 COCCNC(=O)NNCC(C)C 273464a_100000209980_100000696102 [0,0,0,0,0,2|2,0,0]=4 16293 B12R0.233 COCCOC(=O)CNCC(C)C 2230a_100000210953_200000040189 [0,0,0,0,0,2|1,0,0]=3 16294 B12R0.233 COCCOC(=O)CNCC(C)C 34a_100000210953_200000040189 [0,0,0,0,0,2|1,0,0]=3 16295 B12R0.233 COCCOC(=O)CNCC(C)O 2230a_100000210904_200000040189 [0,0,0,0,0,2|2,0,0]=4 16296 B12R0.233 COCCOC(=O)CNCC(C)O 34a_100000210904_200000040189 [0,0,0,0,0,2|2,0,0]=4 16297 B12R0.233 COCCOC(=O)COCC(C)Br 34a_100012180447_200000040189 [0,0,0,0,0,2|2,0,0]=4 16298 B12R0.233 COCCOC(=O)COCC(C)C 34a_100000210257_200000040189 [0,0,0,0,0,2|1,0,0]=3 16299 B12R0.233 COCCOC(=O)COCC(C)F 34a_100015925927_200000040189 [0,0,0,0,0,2|2,0,0]=4 16300 B12R0.233 COCCOC(=O)COC[C@@H](C)Cl 34a_100016084084_200000040189 [0,0,0,0,0,2|2,0,0]=4 16301 B12R0.233 COCCOC(=O)COC[C@@H](C)N 34a_100000737577_200000040189 [0,0,0,0,0,2|2,0,0]=4 16302 B12R0.233 COCCOC(=O)CSCC(C)C 62a_100000210624_200000040189 [0,0,0,0,0,2|1,0,0]=3 16303 B12R0.233 COCCOC(=O)CSCC(C)C 62a_200000040189_100000210760 [0,0,0,0,0,2|1,0,0]=3 16304 B12R0.233 COCCOC(=O)CSCC(C)O 62a_100011218427_200000040189 [0,0,0,0,0,2|2,0,0]=4 16305 B12R0.233 COCCOC(=O)CSCC(C)O 62a_200000040189_100011218427 [0,0,0,0,0,2|2,0,0]=4 16306 B12R0.233 COCCOC(=O)CSC[C@@H](C)O 62a_100009817552_200000040189 [0,0,0,0,0,2|2,0,0]=4 16307 B12R0.233 COCCOC(=O)CSC[C@@H](C)O 62a_200000040189_100009817552 [0,0,0,0,0,2|2,0,0]=4 16308 B12R0.233 CSCCCC(=O)CCCC(C)C 1458a_100000173376_100011214892 [0,0,0,0,0,2|2,0,0]=4 16309 B12R0.233 CSCCCC(=O)CCOC(C)C 1458a_100000173376_100000211751 [0,0,0,0,0,2|2,0,0]=4 16310 B12R0.233 CSCCCC(=O)CCSC(C)C 1458a_100000173376_100000730970 [0,0,0,0,0,2|2,0,0]=4 16311 B12R0.233 CSCCCC(=O)NCCC(C)C 11a_100000210545_100000173376 [0,0,0,0,0,2|2,0,0]=4 16312 B12R0.233 CSCCCC(=O)NCCC(C)C 1626a_100000210545_100000173376 [0,0,0,0,0,2|2,0,0]=4 16313 B12R0.233 CSCCCC(=O)NCCC(C)C 240690a_100000210545_100000173376 [0,0,0,0,0,2|2,0,0]=4 16314 B12R0.233 CSCCCC(=O)NCCC(C)C 527a_100000210545_100000173376 [0,0,0,0,0,2|2,0,0]=4 16315 B12R0.233 CSCCCC(=O)NNCC(C)C 22a_100000696102_100000173376 [0,0,0,0,0,2|2,0,0]=4 16316 B12R0.233 CSCCNC(=O)C/C=C/C(C)C 11a_100020590264_100016292215 [0,0,0,0,0,2|2,0,0]=4 16317 B12R0.233 CSCCNC(=O)C/C=C/C(C)C 1626a_100020590264_100016292215 [0,0,0,0,0,2|2,0,0]=4 16318 B12R0.233 CSCCNC(=O)C/C=C/C(C)C 240690a_100020590264_100016292215 [0,0,0,0,0,2|2,0,0]=4 16319 B12R0.233 CSCCNC(=O)CCCC(C)C 11a_100020590264_100011216857 [0,0,0,0,0,2|2,0,0]=4 16320 B12R0.233 CSCCNC(=O)CCCC(C)C 1626a_100020590264_100011216857 [0,0,0,0,0,2|2,0,0]=4 16321 B12R0.233 CSCCNC(=O)CCCC(C)C 240690a_100020590264_100011216857 [0,0,0,0,0,2|2,0,0]=4 16322 B12R0.233 CSCCNC(=O)CCCC(C)C 527a_100020590264_100011216857 [0,0,0,0,0,2|2,0,0]=4 16323 B12R0.233 CSCCNC(=O)COCC(C)C 11a_100020590264_100011223364 [0,0,0,0,0,2|2,0,0]=4 16324 B12R0.233 CSCCNC(=O)COCC(C)C 1626a_100020590264_100011223364 [0,0,0,0,0,2|2,0,0]=4 16325 B12R0.233 CSCCNC(=O)COCC(C)C 240690a_100020590264_100011223364 [0,0,0,0,0,2|2,0,0]=4 16326 B12R0.233 CSCCNC(=O)COCC(C)C 527a_100020590264_100011223364 [0,0,0,0,0,2|2,0,0]=4 16327 B12R0.233 CSCCNC(=O)NCCC(C)C 2708a_100000210545_100020590264 [0,0,0,0,0,2|2,0,0]=4 16328 B12R0.233 CSCCNC(=O)NCCC(C)C 2708a_100020590264_100000210545 [0,0,0,0,0,2|2,0,0]=4 16329 B12R0.233 CSCCNC(=O)NCCC(C)C 273464a_100000210545_100020590264 [0,0,0,0,0,2|2,0,0]=4 16330 B12R0.233 CSCCNC(=O)NCCC(C)C 273464a_100020590264_100000210545 [0,0,0,0,0,2|2,0,0]=4 16331 B12R0.233 CSCCNC(=O)NCCC(C)C 512a_100000210545_100020590264 [0,0,0,0,0,2|2,0,0]=4 16332 B12R0.233 CSCCNC(=O)NCCC(C)C 512a_100020590264_100000210545 [0,0,0,0,0,2|2,0,0]=4 16333 B12R0.233 CSCCNC(=O)NNCC(C)C 273464a_100020590264_100000696102 [0,0,0,0,0,2|2,0,0]=4 16334 B12R0.233 CSCCNC(=O)NNCC(C)C 512a_100000696102_100020590264 [0,0,0,0,0,2|2,0,0]=4 16335 B12R0.233 CSCCNC(=O)NNCC(C)C 512a_100020590264_100000696102 [0,0,0,0,0,2|2,0,0]=4