0 B11R0.140 C#CCCCC(=O)CCCCC 1458a_100000212188_100000731252 [0,0,0,0,0,0|3,0,1]=4 1 B11R0.140 C#CCCCC(=O)CCCCC 1458a_100000690238_100000210326 [0,0,0,0,0,0|3,0,1]=4 2 B11R0.140 C#CCCCC(=O)NCCCC 11a_100000102301_100000690238 [0,0,0,0,0,0|2,0,1]=3 3 B11R0.140 C#CCCCC(=O)NCCCC 1626a_100000102301_100000690238 [0,0,0,0,0,0|2,0,1]=3 4 B11R0.140 C#CCCCC(=O)NCCCC 240690a_100000102301_100000690238 [0,0,0,0,0,0|2,0,1]=3 5 B11R0.140 C#CCCCC(=O)NCCCC 527a_100000102301_100000690238 [0,0,0,0,0,0|2,0,1]=3 6 B11R0.140 C#CCCCC(=O)NCCCF 11a_100015189416_100000690238 [0,0,0,0,0,0|3,0,1]=4 7 B11R0.140 C#CCCCC(=O)NCCCF 1626a_100015189416_100000690238 [0,0,0,0,0,0|3,0,1]=4 8 B11R0.140 C#CCCCC(=O)NCCCF 240690a_100015189416_100000690238 [0,0,0,0,0,0|3,0,1]=4 9 B11R0.140 C#CCCCC(=O)NCCCF 527a_100015189416_100000690238 [0,0,0,0,0,0|3,0,1]=4 10 B11R0.140 C#CCCCC(=O)NCCCO 240690a_100000182051_100000690238 [0,0,0,0,0,0|3,0,1]=4 11 B11R0.140 C#CCCCC(=O)NCCCO 527a_100000182051_100000690238 [0,0,0,0,0,0|3,0,1]=4 12 B11R0.140 C#CCCCC(=O)NCCOC 1626a_100000209980_100000690238 [0,0,0,0,0,0|3,0,1]=4 13 B11R0.140 C#CCCCC(=O)NCCOC 240690a_100000209980_100000690238 [0,0,0,0,0,0|3,0,1]=4 14 B11R0.140 C#CCCCC(=O)NCCOC 527a_100000209980_100000690238 [0,0,0,0,0,0|3,0,1]=4 15 B11R0.140 C#CCCCC(=O)NCCSC 11a_100020590264_100000690238 [0,0,0,0,0,0|3,0,1]=4 16 B11R0.140 C#CCCCC(=O)NCCSC 1626a_100020590264_100000690238 [0,0,0,0,0,0|3,0,1]=4 17 B11R0.140 C#CCCCC(=O)NCCSC 240690a_100020590264_100000690238 [0,0,0,0,0,0|3,0,1]=4 18 B11R0.140 C#CCCCC(=O)NCCSC 527a_100020590264_100000690238 [0,0,0,0,0,0|3,0,1]=4 19 B11R0.140 C#CCCCC(=O)NNCCC 22a_100000740057_100000690238 [0,0,0,0,0,0|3,0,1]=4 20 B11R0.140 C#CCCNC(=O)CCCCC 11a_100000755551_100000212188 [0,0,0,0,0,0|3,0,1]=4 21 B11R0.140 C#CCCNC(=O)CCCCC 1626a_100000755551_100000212188 [0,0,0,0,0,0|3,0,1]=4 22 B11R0.140 C#CCCNC(=O)CCCCC 240690a_100000755551_100000212188 [0,0,0,0,0,0|3,0,1]=4 23 B11R0.140 C#CCCNC(=O)CCCCC 527a_100000755551_100000212188 [0,0,0,0,0,0|3,0,1]=4 24 B11R0.140 C#CCCNC(=O)NCC#CC 2708a_100000755551_100000685387 [0,0,0,0,0,0|2,0,2]=4 25 B11R0.140 C#CCCNC(=O)NCC#CC 273464a_100000685387_100000755551 [0,0,0,0,0,0|2,0,2]=4 26 B11R0.140 C#CCCNC(=O)NCC#CC 273464a_100000755551_100000685387 [0,0,0,0,0,0|2,0,2]=4 27 B11R0.140 C#CCCNC(=O)NCC#CC 512a_100000685387_100000755551 [0,0,0,0,0,0|2,0,2]=4 28 B11R0.140 C#CCCNC(=O)NCC#CC 512a_100000755551_100000685387 [0,0,0,0,0,0|2,0,2]=4 29 B11R0.140 C#CCCNC(=O)NCCCC 2708a_100000102301_100000755551 [0,0,0,0,0,0|2,0,1]=3 30 B11R0.140 C#CCCNC(=O)NCCCC 2708a_100000755551_100000102301 [0,0,0,0,0,0|2,0,1]=3 31 B11R0.140 C#CCCNC(=O)NCCCC 273464a_100000102301_100000755551 [0,0,0,0,0,0|2,0,1]=3 32 B11R0.140 C#CCCNC(=O)NCCCC 273464a_100000755551_100000102301 [0,0,0,0,0,0|2,0,1]=3 33 B11R0.140 C#CCCNC(=O)NCCCC 512a_100000102301_100000755551 [0,0,0,0,0,0|2,0,1]=3 34 B11R0.140 C#CCCNC(=O)NCCCC 512a_100000755551_100000102301 [0,0,0,0,0,0|2,0,1]=3 35 B11R0.140 C#CCCNC(=O)NCCCF 2708a_100000755551_100015189416 [0,0,0,0,0,0|3,0,1]=4 36 B11R0.140 C#CCCNC(=O)NCCCF 2708a_100015189416_100000755551 [0,0,0,0,0,0|3,0,1]=4 37 B11R0.140 C#CCCNC(=O)NCCCF 273464a_100000755551_100015189416 [0,0,0,0,0,0|3,0,1]=4 38 B11R0.140 C#CCCNC(=O)NCCCF 273464a_100015189416_100000755551 [0,0,0,0,0,0|3,0,1]=4 39 B11R0.140 C#CCCNC(=O)NCCCF 512a_100000755551_100015189416 [0,0,0,0,0,0|3,0,1]=4 40 B11R0.140 C#CCCNC(=O)NCCCF 512a_100015189416_100000755551 [0,0,0,0,0,0|3,0,1]=4 41 B11R0.140 C#CCCNC(=O)NCCCO 2708a_100000755551_100000182051 [0,0,0,0,0,0|3,0,1]=4 42 B11R0.140 C#CCCNC(=O)NCCCO 273464a_100000182051_100000755551 [0,0,0,0,0,0|3,0,1]=4 43 B11R0.140 C#CCCNC(=O)NCCCO 273464a_100000755551_100000182051 [0,0,0,0,0,0|3,0,1]=4 44 B11R0.140 C#CCCNC(=O)NCCCO 512a_100000755551_100000182051 [0,0,0,0,0,0|3,0,1]=4 45 B11R0.140 C#CCCNC(=O)NCCOC 2708a_100000755551_100000209980 [0,0,0,0,0,0|3,0,1]=4 46 B11R0.140 C#CCCNC(=O)NCCOC 273464a_100000209980_100000755551 [0,0,0,0,0,0|3,0,1]=4 47 B11R0.140 C#CCCNC(=O)NCCOC 273464a_100000755551_100000209980 [0,0,0,0,0,0|3,0,1]=4 48 B11R0.140 C#CCCNC(=O)NCCSC 2708a_100000755551_100020590264 [0,0,0,0,0,0|3,0,1]=4 49 B11R0.140 C#CCCNC(=O)NCCSC 2708a_100020590264_100000755551 [0,0,0,0,0,0|3,0,1]=4 50 B11R0.140 C#CCCNC(=O)NCCSC 273464a_100000755551_100020590264 [0,0,0,0,0,0|3,0,1]=4 51 B11R0.140 C#CCCNC(=O)NCCSC 273464a_100020590264_100000755551 [0,0,0,0,0,0|3,0,1]=4 52 B11R0.140 C#CCCNC(=O)NCCSC 512a_100000755551_100020590264 [0,0,0,0,0,0|3,0,1]=4 53 B11R0.140 C#CCCNC(=O)NCCSC 512a_100020590264_100000755551 [0,0,0,0,0,0|3,0,1]=4 54 B11R0.140 C#CCCNC(=O)NNCCC 273464a_100000755551_100000740057 [0,0,0,0,0,0|3,0,1]=4 55 B11R0.140 C#CCCNC(=O)NNCCC 512a_100000740057_100000755551 [0,0,0,0,0,0|3,0,1]=4 56 B11R0.140 C#CCCNC(=O)NNCCC 512a_100000755551_100000740057 [0,0,0,0,0,0|3,0,1]=4 57 B11R0.140 C#CCNCC(=O)NCCCC 34a_100000212058_100000182744 [0,0,0,0,0,0|3,0,1]=4 58 B11R0.140 C#CCOCC(=O)NCCCC 11a_100000102301_100011251226 [0,0,0,0,0,0|3,0,1]=4 59 B11R0.140 C#CCOCC(=O)NCCCC 1626a_100000102301_100011251226 [0,0,0,0,0,0|3,0,1]=4 60 B11R0.140 C#CCOCC(=O)NCCCC 34a_100000210247_100000182744 [0,0,0,0,0,0|3,0,1]=4 61 B11R0.140 C#CCOCC(=O)NCCCC 527a_100000102301_100011251226 [0,0,0,0,0,0|3,0,1]=4 62 B11R0.140 C#CCSCC(=O)NCCCC 62a_100000038162_100000182744 [0,0,0,0,0,0|3,0,1]=4 63 B11R0.140 C=CCCCC(=O)NCCCC 11a_100000102301_100000766728 [0,0,0,0,0,0|2,0,2]=4 64 B11R0.140 C=CCCCC(=O)NCCCC 1626a_100000102301_100000766728 [0,0,0,0,0,0|2,0,2]=4 65 B11R0.140 C=CCCCC(=O)NCCCC 240690a_100000102301_100000766728 [0,0,0,0,0,0|2,0,2]=4 66 B11R0.140 C=CCCCC(=O)NCCCC 527a_100000102301_100000766728 [0,0,0,0,0,0|2,0,2]=4 67 B11R0.140 C=CCCNC(=O)NCC#CC 2708a_100015191253_100000685387 [0,0,0,0,0,0|2,0,2]=4 68 B11R0.140 C=CCCNC(=O)NCC#CC 273464a_100000685387_100015191253 [0,0,0,0,0,0|2,0,2]=4 69 B11R0.140 C=CCCNC(=O)NCC#CC 273464a_100015191253_100000685387 [0,0,0,0,0,0|2,0,2]=4 70 B11R0.140 C=CCCNC(=O)NCC#CC 512a_100000685387_100015191253 [0,0,0,0,0,0|2,0,2]=4 71 B11R0.140 C=CCCNC(=O)NCC#CC 512a_100015191253_100000685387 [0,0,0,0,0,0|2,0,2]=4 72 B11R0.140 C=CCCNC(=O)NCCCC 2708a_100000102301_100015191253 [0,0,0,0,0,0|2,0,2]=4 73 B11R0.140 C=CCCNC(=O)NCCCC 2708a_100015191253_100000102301 [0,0,0,0,0,0|2,0,2]=4 74 B11R0.140 C=CCCNC(=O)NCCCC 273464a_100000102301_100015191253 [0,0,0,0,0,0|2,0,2]=4 75 B11R0.140 C=CCCNC(=O)NCCCC 273464a_100015191253_100000102301 [0,0,0,0,0,0|2,0,2]=4 76 B11R0.140 C=CCCNC(=O)NCCCC 512a_100000102301_100015191253 [0,0,0,0,0,0|2,0,2]=4 77 B11R0.140 C=CCCNC(=O)NCCCC 512a_100015191253_100000102301 [0,0,0,0,0,0|2,0,2]=4 78 B11R0.140 CC#CCNC(=O)C=CCCC 11a_100000685387_100000212230 [0,0,0,0,0,0|3,0,1]=4 79 B11R0.140 CC#CCNC(=O)C=CCCC 1626a_100000685387_100000212230 [0,0,0,0,0,0|3,0,1]=4 80 B11R0.140 CC#CCNC(=O)CCCCC 11a_100000685387_100000212188 [0,0,0,0,0,0|3,0,0]=3 81 B11R0.140 CC#CCNC(=O)CCCCC 1626a_100000685387_100000212188 [0,0,0,0,0,0|3,0,0]=3 82 B11R0.140 CC#CCNC(=O)CCCCC 527a_100000685387_100000212188 [0,0,0,0,0,0|3,0,0]=3 83 B11R0.140 CC#CCNC(=O)CCCCO 1626a_100000685387_100000695505 [0,0,0,0,0,0|4,0,0]=4 84 B11R0.140 CC#CCNC(=O)CCCOC 11a_100000685387_100000741012 [0,0,0,0,0,0|4,0,0]=4 85 B11R0.140 CC#CCNC(=O)CCCOC 1626a_100000685387_100000741012 [0,0,0,0,0,0|4,0,0]=4 86 B11R0.140 CC#CCNC(=O)CCCOC 527a_100000685387_100000741012 [0,0,0,0,0,0|4,0,0]=4 87 B11R0.140 CC#CCNC(=O)CCCSC 11a_100000685387_100000173376 [0,0,0,0,0,0|4,0,0]=4 88 B11R0.140 CC#CCNC(=O)CCCSC 1626a_100000685387_100000173376 [0,0,0,0,0,0|4,0,0]=4 89 B11R0.140 CC#CCNC(=O)CCCSC 527a_100000685387_100000173376 [0,0,0,0,0,0|4,0,0]=4 90 B11R0.140 CC#CCNC(=O)CCOCC 11a_100000685387_100000749530 [0,0,0,0,0,0|4,0,0]=4 91 B11R0.140 CC#CCNC(=O)CCOCC 1626a_100000685387_100000749530 [0,0,0,0,0,0|4,0,0]=4 92 B11R0.140 CC#CCNC(=O)CCOCC 527a_100000685387_100000749530 [0,0,0,0,0,0|4,0,0]=4 93 B11R0.140 CC#CCNC(=O)CCSCC 11a_100000685387_100000230768 [0,0,0,0,0,0|4,0,0]=4 94 B11R0.140 CC#CCNC(=O)CCSCC 1626a_100000685387_100000230768 [0,0,0,0,0,0|4,0,0]=4 95 B11R0.140 CC#CCNC(=O)CCSCC 527a_100000685387_100000230768 [0,0,0,0,0,0|4,0,0]=4 96 B11R0.140 CC#CCNC(=O)COCCC 11a_100000685387_100000745993 [0,0,0,0,0,0|4,0,0]=4 97 B11R0.140 CC#CCNC(=O)COCCC 1626a_100000685387_100000745993 [0,0,0,0,0,0|4,0,0]=4 98 B11R0.140 CC#CCNC(=O)COCCC 527a_100000685387_100000745993 [0,0,0,0,0,0|4,0,0]=4 99 B11R0.140 CC#CCNC(=O)CSCCC 11a_100000685387_100000217233 [0,0,0,0,0,0|4,0,0]=4 100 B11R0.140 CC#CCNC(=O)CSCCC 1626a_100000685387_100000217233 [0,0,0,0,0,0|4,0,0]=4 101 B11R0.140 CC#CCNC(=O)CSCCC 527a_100000685387_100000217233 [0,0,0,0,0,0|4,0,0]=4 102 B11R0.140 CC#CCNC(=O)NCC#CC 273464a_100000685387_100000685387 [0,0,0,0,0,0|2,0,2]=4 103 B11R0.140 CC#CCNC(=O)NCC#CC 512a_100000685387_100000685387 [0,0,0,0,0,0|2,0,2]=4 104 B11R0.140 CC#CCNC(=O)NCCC#N 2708a_100000720768_100000685387 [0,0,0,0,0,0|3,0,1]=4 105 B11R0.140 CC#CCNC(=O)NCCC#N 273464a_100000685387_100000720768 [0,0,0,0,0,0|3,0,1]=4 106 B11R0.140 CC#CCNC(=O)NCCC#N 273464a_100000720768_100000685387 [0,0,0,0,0,0|3,0,1]=4 107 B11R0.140 CC#CCNC(=O)NCCC#N 512a_100000685387_100000720768 [0,0,0,0,0,0|3,0,1]=4 108 B11R0.140 CC#CCNC(=O)NCCC#N 512a_100000720768_100000685387 [0,0,0,0,0,0|3,0,1]=4 109 B11R0.140 CC#CCNC(=O)NCCCC 2708a_100000102301_100000685387 [0,0,0,0,0,0|2,0,0]=2 110 B11R0.140 CC#CCNC(=O)NCCCC 273464a_100000102301_100000685387 [0,0,0,0,0,0|2,0,0]=2 111 B11R0.140 CC#CCNC(=O)NCCCC 273464a_100000685387_100000102301 [0,0,0,0,0,0|2,0,0]=2 112 B11R0.140 CC#CCNC(=O)NCCCC 512a_100000102301_100000685387 [0,0,0,0,0,0|2,0,0]=2 113 B11R0.140 CC#CCNC(=O)NCCCC 512a_100000685387_100000102301 [0,0,0,0,0,0|2,0,0]=2 114 B11R0.140 CC#CCNC(=O)NCCCF 2708a_100015189416_100000685387 [0,0,0,0,0,0|3,0,0]=3 115 B11R0.140 CC#CCNC(=O)NCCCF 273464a_100000685387_100015189416 [0,0,0,0,0,0|3,0,0]=3 116 B11R0.140 CC#CCNC(=O)NCCCF 273464a_100015189416_100000685387 [0,0,0,0,0,0|3,0,0]=3 117 B11R0.140 CC#CCNC(=O)NCCCF 512a_100000685387_100015189416 [0,0,0,0,0,0|3,0,0]=3 118 B11R0.140 CC#CCNC(=O)NCCCF 512a_100015189416_100000685387 [0,0,0,0,0,0|3,0,0]=3 119 B11R0.140 CC#CCNC(=O)NCCCO 273464a_100000182051_100000685387 [0,0,0,0,0,0|3,0,0]=3 120 B11R0.140 CC#CCNC(=O)NCCCO 273464a_100000685387_100000182051 [0,0,0,0,0,0|3,0,0]=3 121 B11R0.140 CC#CCNC(=O)NCCCO 512a_100000685387_100000182051 [0,0,0,0,0,0|3,0,0]=3 122 B11R0.140 CC#CCNC(=O)NCCOC 273464a_100000209980_100000685387 [0,0,0,0,0,0|3,0,0]=3 123 B11R0.140 CC#CCNC(=O)NCCOC 273464a_100000685387_100000209980 [0,0,0,0,0,0|3,0,0]=3 124 B11R0.140 CC#CCNC(=O)NCCSC 2708a_100020590264_100000685387 [0,0,0,0,0,0|3,0,0]=3 125 B11R0.140 CC#CCNC(=O)NCCSC 273464a_100000685387_100020590264 [0,0,0,0,0,0|3,0,0]=3 126 B11R0.140 CC#CCNC(=O)NCCSC 273464a_100020590264_100000685387 [0,0,0,0,0,0|3,0,0]=3 127 B11R0.140 CC#CCNC(=O)NCCSC 512a_100000685387_100020590264 [0,0,0,0,0,0|3,0,0]=3 128 B11R0.140 CC#CCNC(=O)NCCSC 512a_100020590264_100000685387 [0,0,0,0,0,0|3,0,0]=3 129 B11R0.140 CC#CCNC(=O)NNCCC 273464a_100000685387_100000740057 [0,0,0,0,0,0|3,0,0]=3 130 B11R0.140 CC#CCNC(=O)NNCCC 512a_100000685387_100000740057 [0,0,0,0,0,0|3,0,0]=3 131 B11R0.140 CC#CCNC(=O)NNCCC 512a_100000740057_100000685387 [0,0,0,0,0,0|3,0,0]=3 132 B11R0.140 CC#CCNC(=O)NNCCO 273464a_100000685387_100000210001 [0,0,0,0,0,0|4,0,0]=4 133 B11R0.140 CC#CCNC(=O)NNCCO 512a_100000685387_100000210001 [0,0,0,0,0,0|4,0,0]=4 134 B11R0.140 CC#CCOC(C)CCCCC 34a_100000761923_200011218191 [0,0,0,0,0,0|3,0,1]=4 135 B11R0.140 CC#CCOC(C)CCCCC 34a_100011215632_100000748600 [0,0,0,0,0,0|3,0,1]=4 136 B11R0.140 CC#CCOC(C)CCCCC 7a_100011215632_100000748600 [0,0,0,0,0,0|3,0,1]=4 137 B11R0.140 CCCCCC(=O)CCCC#N 1458a_100000075515_100000210326 [0,0,0,0,0,0|3,0,1]=4 138 B11R0.140 CCCCCC(=O)CCCC#N 1458a_100000212188_100000211468 [0,0,0,0,0,0|3,0,1]=4 139 B11R0.140 CCCCCC(=O)NCCC#N 11a_100000720768_100000212188 [0,0,0,0,0,0|3,0,1]=4 140 B11R0.140 CCCCCC(=O)NCCC#N 1626a_100000720768_100000212188 [0,0,0,0,0,0|3,0,1]=4 141 B11R0.140 CCCCCC(=O)NCCC#N 240690a_100000720768_100000212188 [0,0,0,0,0,0|3,0,1]=4 142 B11R0.140 CCCCCC(=O)NCCC#N 527a_100000720768_100000212188 [0,0,0,0,0,0|3,0,1]=4 143 B11R0.140 CCCCCC(=O)NCCCC 11a_100000102301_100000212188 [0,0,0,0,0,0|2,0,2]=4 144 B11R0.140 CCCCCC(=O)NCCCC 1626a_100000102301_100000212188 [0,0,0,0,0,0|2,0,2]=4 145 B11R0.140 CCCCCC(=O)NCCCC 240690a_100000102301_100000212188 [0,0,0,0,0,0|2,0,2]=4 146 B11R0.140 CCCCCC(=O)NCCCC 527a_100000102301_100000212188 [0,0,0,0,0,0|2,0,2]=4 147 B11R0.140 CCCCNC(=O)CCCC#N 11a_100000102301_100000075515 [0,0,0,0,0,0|2,0,1]=3 148 B11R0.140 CCCCNC(=O)CCCC#N 1626a_100000102301_100000075515 [0,0,0,0,0,0|2,0,1]=3 149 B11R0.140 CCCCNC(=O)CCCC#N 240690a_100000102301_100000075515 [0,0,0,0,0,0|2,0,1]=3 150 B11R0.140 CCCCNC(=O)CCCC#N 527a_100000102301_100000075515 [0,0,0,0,0,0|2,0,1]=3 151 B11R0.140 CCCCNC(=O)CCCCO 1626a_100000102301_100000695505 [0,0,0,0,0,0|2,0,2]=4 152 B11R0.140 CCCCNC(=O)CCCOC 11a_100000102301_100000741012 [0,0,0,0,0,0|3,0,1]=4 153 B11R0.140 CCCCNC(=O)CCCOC 1626a_100000102301_100000741012 [0,0,0,0,0,0|3,0,1]=4 154 B11R0.140 CCCCNC(=O)CCCOC 240690a_100000102301_100000741012 [0,0,0,0,0,0|3,0,1]=4 155 B11R0.140 CCCCNC(=O)CCCOC 527a_100000102301_100000741012 [0,0,0,0,0,0|3,0,1]=4 156 B11R0.140 CCCCNC(=O)CCCSC 11a_100000102301_100000173376 [0,0,0,0,0,0|3,0,1]=4 157 B11R0.140 CCCCNC(=O)CCCSC 1626a_100000102301_100000173376 [0,0,0,0,0,0|3,0,1]=4 158 B11R0.140 CCCCNC(=O)CCCSC 240690a_100000102301_100000173376 [0,0,0,0,0,0|3,0,1]=4 159 B11R0.140 CCCCNC(=O)CCCSC 527a_100000102301_100000173376 [0,0,0,0,0,0|3,0,1]=4 160 B11R0.140 CCCCNC(=O)CCN=[N+]=[N-] 11a_100000102301_100000688302 [0,0,0,0,0,0|4,0,0]=4 161 B11R0.140 CCCCNC(=O)CCN=[N+]=[N-] 240690a_100000102301_100000688302 [0,0,0,0,0,0|4,0,0]=4 162 B11R0.140 CCCCNC(=O)CCOCC 11a_100000102301_100000749530 [0,0,0,0,0,0|3,0,1]=4 163 B11R0.140 CCCCNC(=O)CCOCC 1626a_100000102301_100000749530 [0,0,0,0,0,0|3,0,1]=4 164 B11R0.140 CCCCNC(=O)CCOCC 240690a_100000102301_100000749530 [0,0,0,0,0,0|3,0,1]=4 165 B11R0.140 CCCCNC(=O)CCOCC 527a_100000102301_100000749530 [0,0,0,0,0,0|3,0,1]=4 166 B11R0.140 CCCCNC(=O)CCSCC 11a_100000102301_100000230768 [0,0,0,0,0,0|3,0,1]=4 167 B11R0.140 CCCCNC(=O)CCSCC 1626a_100000102301_100000230768 [0,0,0,0,0,0|3,0,1]=4 168 B11R0.140 CCCCNC(=O)CCSCC 240690a_100000102301_100000230768 [0,0,0,0,0,0|3,0,1]=4 169 B11R0.140 CCCCNC(=O)CCSCC 527a_100000102301_100000230768 [0,0,0,0,0,0|3,0,1]=4 170 B11R0.140 CCCCNC(=O)CSCC#N 11a_100000102301_100000150266 [0,0,0,0,0,0|3,0,1]=4 171 B11R0.140 CCCCNC(=O)CSCC#N 1626a_100000102301_100000150266 [0,0,0,0,0,0|3,0,1]=4 172 B11R0.140 CCCCNC(=O)CSCC#N 240690a_100000102301_100000150266 [0,0,0,0,0,0|3,0,1]=4 173 B11R0.140 CCCCNC(=O)CSCC#N 62a_100000182744_100011215382 [0,0,0,0,0,0|3,0,1]=4 174 B11R0.140 CCCCNC(=O)CSCC#N 62a_100011215382_100000182744 [0,0,0,0,0,0|3,0,1]=4 175 B11R0.140 CCCCNC(=O)NCCC#N 2708a_100000102301_100000720768 [0,0,0,0,0,0|2,0,1]=3 176 B11R0.140 CCCCNC(=O)NCCC#N 2708a_100000720768_100000102301 [0,0,0,0,0,0|2,0,1]=3 177 B11R0.140 CCCCNC(=O)NCCC#N 273464a_100000102301_100000720768 [0,0,0,0,0,0|2,0,1]=3 178 B11R0.140 CCCCNC(=O)NCCC#N 273464a_100000720768_100000102301 [0,0,0,0,0,0|2,0,1]=3 179 B11R0.140 CCCCNC(=O)NCCC#N 512a_100000102301_100000720768 [0,0,0,0,0,0|2,0,1]=3 180 B11R0.140 CCCCNC(=O)NCCC#N 512a_100000720768_100000102301 [0,0,0,0,0,0|2,0,1]=3 181 B11R0.140 CCCCNC(=O)NCCCC 2708a_100000102301_100000102301 [0,0,0,0,0,0|2,0,2]=4 182 B11R0.140 CCCCNC(=O)NCCCC 273464a_100000102301_100000102301 [0,0,0,0,0,0|2,0,2]=4 183 B11R0.140 CCCCNC(=O)NCCCC 512a_100000102301_100000102301 [0,0,0,0,0,0|2,0,2]=4 184 B11R0.140 CCCCNC(=O)NCCCF 2708a_100000102301_100015189416 [0,0,0,0,0,0|1,1,2]=4 185 B11R0.140 CCCCNC(=O)NCCCF 2708a_100015189416_100000102301 [0,0,0,0,0,0|1,1,2]=4 186 B11R0.140 CCCCNC(=O)NCCCF 273464a_100000102301_100015189416 [0,0,0,0,0,0|1,1,2]=4 187 B11R0.140 CCCCNC(=O)NCCCF 273464a_100015189416_100000102301 [0,0,0,0,0,0|1,1,2]=4 188 B11R0.140 CCCCNC(=O)NCCCF 512a_100000102301_100015189416 [0,0,0,0,0,0|1,1,2]=4 189 B11R0.140 CCCCNC(=O)NCCCF 512a_100015189416_100000102301 [0,0,0,0,0,0|1,1,2]=4 190 B11R0.140 CCCCNC(=O)NCCCO 2708a_100000102301_100000182051 [0,0,0,0,0,0|2,0,2]=4 191 B11R0.140 CCCCNC(=O)NCCCO 273464a_100000102301_100000182051 [0,0,0,0,0,0|2,0,2]=4 192 B11R0.140 CCCCNC(=O)NCCCO 273464a_100000182051_100000102301 [0,0,0,0,0,0|2,0,2]=4 193 B11R0.140 CCCCNC(=O)NCCCO 512a_100000102301_100000182051 [0,0,0,0,0,0|2,0,2]=4 194 B11R0.140 CCCCNC(=O)NCCOC 2708a_100000102301_100000209980 [0,0,0,0,0,0|3,0,1]=4 195 B11R0.140 CCCCNC(=O)NCCOC 273464a_100000102301_100000209980 [0,0,0,0,0,0|3,0,1]=4 196 B11R0.140 CCCCNC(=O)NCCOC 273464a_100000209980_100000102301 [0,0,0,0,0,0|3,0,1]=4 197 B11R0.140 CCCCNC(=O)NCCSC 2708a_100000102301_100020590264 [0,0,0,0,0,0|3,0,1]=4 198 B11R0.140 CCCCNC(=O)NCCSC 2708a_100020590264_100000102301 [0,0,0,0,0,0|3,0,1]=4 199 B11R0.140 CCCCNC(=O)NCCSC 273464a_100000102301_100020590264 [0,0,0,0,0,0|3,0,1]=4 200 B11R0.140 CCCCNC(=O)NCCSC 273464a_100020590264_100000102301 [0,0,0,0,0,0|3,0,1]=4 201 B11R0.140 CCCCNC(=O)NCCSC 512a_100000102301_100020590264 [0,0,0,0,0,0|3,0,1]=4 202 B11R0.140 CCCCNC(=O)NCCSC 512a_100020590264_100000102301 [0,0,0,0,0,0|3,0,1]=4 203 B11R0.140 CCCNNC(=O)CCCC#N 22a_100000740057_100000075515 [0,0,0,0,0,0|3,0,1]=4 204 B11R0.140 CCCNNC(=O)NCCC#N 273464a_100000720768_100000740057 [0,0,0,0,0,0|3,0,1]=4 205 B11R0.140 CCCNNC(=O)NCCC#N 512a_100000720768_100000740057 [0,0,0,0,0,0|3,0,1]=4 206 B11R0.140 CCCNNC(=O)NCCC#N 512a_100000740057_100000720768 [0,0,0,0,0,0|3,0,1]=4 207 B11R0.140 COCCNC(=O)CCCC#N 1626a_100000209980_100000075515 [0,0,0,0,0,0|3,0,1]=4 208 B11R0.140 COCCNC(=O)CCCC#N 240690a_100000209980_100000075515 [0,0,0,0,0,0|3,0,1]=4 209 B11R0.140 COCCNC(=O)CCCC#N 527a_100000209980_100000075515 [0,0,0,0,0,0|3,0,1]=4 210 B11R0.140 COCCNC(=O)NCCC#N 2708a_100000720768_100000209980 [0,0,0,0,0,0|3,0,1]=4 211 B11R0.140 COCCNC(=O)NCCC#N 273464a_100000209980_100000720768 [0,0,0,0,0,0|3,0,1]=4 212 B11R0.140 COCCNC(=O)NCCC#N 273464a_100000720768_100000209980 [0,0,0,0,0,0|3,0,1]=4 213 B11R0.140 CSCCNC(=O)CCCC#N 11a_100020590264_100000075515 [0,0,0,0,0,0|3,0,1]=4 214 B11R0.140 CSCCNC(=O)CCCC#N 1626a_100020590264_100000075515 [0,0,0,0,0,0|3,0,1]=4 215 B11R0.140 CSCCNC(=O)CCCC#N 240690a_100020590264_100000075515 [0,0,0,0,0,0|3,0,1]=4 216 B11R0.140 CSCCNC(=O)CCCC#N 527a_100020590264_100000075515 [0,0,0,0,0,0|3,0,1]=4 217 B11R0.140 CSCCNC(=O)NCCC#N 2708a_100000720768_100020590264 [0,0,0,0,0,0|3,0,1]=4 218 B11R0.140 CSCCNC(=O)NCCC#N 2708a_100020590264_100000720768 [0,0,0,0,0,0|3,0,1]=4 219 B11R0.140 CSCCNC(=O)NCCC#N 273464a_100000720768_100020590264 [0,0,0,0,0,0|3,0,1]=4 220 B11R0.140 CSCCNC(=O)NCCC#N 273464a_100020590264_100000720768 [0,0,0,0,0,0|3,0,1]=4 221 B11R0.140 CSCCNC(=O)NCCC#N 512a_100000720768_100020590264 [0,0,0,0,0,0|3,0,1]=4 222 B11R0.140 CSCCNC(=O)NCCC#N 512a_100020590264_100000720768 [0,0,0,0,0,0|3,0,1]=4 223 B11R0.140 N#CCCCC(=O)NCCCF 11a_100015189416_100000075515 [0,0,0,0,0,0|3,0,1]=4 224 B11R0.140 N#CCCCC(=O)NCCCF 1626a_100015189416_100000075515 [0,0,0,0,0,0|3,0,1]=4 225 B11R0.140 N#CCCCC(=O)NCCCF 240690a_100015189416_100000075515 [0,0,0,0,0,0|3,0,1]=4 226 B11R0.140 N#CCCCC(=O)NCCCF 527a_100015189416_100000075515 [0,0,0,0,0,0|3,0,1]=4 227 B11R0.140 N#CCCCC(=O)NCCCO 240690a_100000182051_100000075515 [0,0,0,0,0,0|3,0,1]=4 228 B11R0.140 N#CCCCC(=O)NCCCO 527a_100000182051_100000075515 [0,0,0,0,0,0|3,0,1]=4 229 B11R0.140 N#CCCNC(=O)NCCCF 2708a_100000720768_100015189416 [0,0,0,0,0,0|3,0,1]=4 230 B11R0.140 N#CCCNC(=O)NCCCF 2708a_100015189416_100000720768 [0,0,0,0,0,0|3,0,1]=4 231 B11R0.140 N#CCCNC(=O)NCCCF 273464a_100000720768_100015189416 [0,0,0,0,0,0|3,0,1]=4 232 B11R0.140 N#CCCNC(=O)NCCCF 273464a_100015189416_100000720768 [0,0,0,0,0,0|3,0,1]=4 233 B11R0.140 N#CCCNC(=O)NCCCF 512a_100000720768_100015189416 [0,0,0,0,0,0|3,0,1]=4 234 B11R0.140 N#CCCNC(=O)NCCCF 512a_100015189416_100000720768 [0,0,0,0,0,0|3,0,1]=4 235 B11R0.140 N#CCCNC(=O)NCCCO 2708a_100000720768_100000182051 [0,0,0,0,0,0|3,0,1]=4 236 B11R0.140 N#CCCNC(=O)NCCCO 273464a_100000182051_100000720768 [0,0,0,0,0,0|3,0,1]=4 237 B11R0.140 N#CCCNC(=O)NCCCO 273464a_100000720768_100000182051 [0,0,0,0,0,0|3,0,1]=4 238 B11R0.140 N#CCCNC(=O)NCCCO 512a_100000720768_100000182051 [0,0,0,0,0,0|3,0,1]=4 239 B10R0.71 CC#CCOCCCCCC 34a_100000210259_100000748600 [1,0,0,0,0,0|2,0,1]=4 240 B10R0.71 CC#CCOCCCCCC 34a_100000761923_100000210314 [1,0,0,0,0,0|2,0,1]=4 241 B10R0.71 CC#CCOCCCCCC 7a_100000210259_100000748600 [1,0,0,0,0,0|2,0,1]=4 242 B10R0.71 CC#CCOCOCCCC 34a_100000761923_100011995733 [1,0,0,0,0,0|2,0,1]=4 243 B10R0.91 C#CCCC(=O)C#CCCC 1458a_200011218047_100000753159 [1,0,0,0,0,0|2,0,1]=4 244 B10R0.91 C#CCCC(=O)C=CCCC 1458a_100000212230_100000753159 [1,0,0,0,0,0|2,0,1]=4 245 B10R0.91 C#CCCC(=O)CCCCC 1458a_100000212188_100000753159 [1,0,0,0,0,0|2,0,0]=3 246 B10R0.91 C#CCCC(=O)CCCCC 1458a_100000692101_100000210326 [1,0,0,0,0,0|2,0,0]=3 247 B10R0.91 C#CCCC(=O)CCCCF 1458a_100000692101_100000729493 [1,0,0,0,0,0|3,0,0]=4 248 B10R0.91 C#CCCC(=O)CCCCO 1458a_100000692101_100000210776 [1,0,0,0,0,0|3,0,0]=4 249 B10R0.91 C#CCCC(=O)CCCCO 1458a_100000695505_100000753159 [1,0,0,0,0,0|3,0,0]=4 250 B10R0.91 C#CCCC(=O)CCCOC 1458a_100000692101_100000740836 [1,0,0,0,0,0|3,0,0]=4 251 B10R0.91 C#CCCC(=O)CCCOC 1458a_100000741012_100000753159 [1,0,0,0,0,0|3,0,0]=4 252 B10R0.91 C#CCCC(=O)CCCSC 1458a_100000173376_100000753159 [1,0,0,0,0,0|3,0,0]=4 253 B10R0.91 C#CCCC(=O)CCOCC 1458a_100000692101_100011215890 [1,0,0,0,0,0|3,0,0]=4 254 B10R0.91 C#CCCC(=O)CCOCC 1458a_100000749530_100000753159 [1,0,0,0,0,0|3,0,0]=4 255 B10R0.91 C#CCCC(=O)CCOCC 34a_100011064465_100000210202 [1,0,0,0,0,0|3,0,0]=4 256 B10R0.91 C#CCCC(=O)CCOCC 7a_100011064465_100000210202 [1,0,0,0,0,0|3,0,0]=4 257 B10R0.91 C#CCCC(=O)CCSCC 1458a_100000230768_100000753159 [1,0,0,0,0,0|3,0,0]=4 258 B10R0.91 C#CCCC(=O)CCSCC 1458a_100000692101_100000757381 [1,0,0,0,0,0|3,0,0]=4 259 B10R0.91 C#CCCC(=O)COCCC 1458a_100000745993_100000753159 [1,0,0,0,0,0|3,0,0]=4 260 B10R0.91 C#CCCC(=O)CSCCC 1458a_100000217233_100000753159 [1,0,0,0,0,0|3,0,0]=4 261 B10R0.91 C#CCCC(=O)NCC#CC 11a_100000685387_100000692101 [1,0,0,0,0,0|1,0,2]=4 262 B10R0.91 C#CCCC(=O)NCC#CC 1626a_100000685387_100000692101 [1,0,0,0,0,0|1,0,2]=4 263 B10R0.91 C#CCCC(=O)NCC#CC 527a_100000685387_100000692101 [1,0,0,0,0,0|1,0,2]=4 264 B10R0.91 C#CCCC(=O)NCCC#N 11a_100000720768_100000692101 [1,0,0,0,0,0|2,0,1]=4 265 B10R0.91 C#CCCC(=O)NCCC#N 1626a_100000720768_100000692101 [1,0,0,0,0,0|2,0,1]=4 266 B10R0.91 C#CCCC(=O)NCCC#N 240690a_100000720768_100000692101 [1,0,0,0,0,0|2,0,1]=4 267 B10R0.91 C#CCCC(=O)NCCC#N 527a_100000720768_100000692101 [1,0,0,0,0,0|2,0,1]=4 268 B10R0.91 C#CCCC(=O)NCCC=C 11a_100015191253_100000692101 [1,0,0,0,0,0|1,0,2]=4 269 B10R0.91 C#CCCC(=O)NCCC=C 1626a_100015191253_100000692101 [1,0,0,0,0,0|1,0,2]=4 270 B10R0.91 C#CCCC(=O)NCCC=C 240690a_100015191253_100000692101 [1,0,0,0,0,0|1,0,2]=4 271 B10R0.91 C#CCCC(=O)NCCC=C 527a_100015191253_100000692101 [1,0,0,0,0,0|1,0,2]=4 272 B10R0.91 C#CCCC(=O)NCCCC 11a_100000102301_100000692101 [1,0,0,0,0,0|1,0,0]=2 273 B10R0.91 C#CCCC(=O)NCCCC 1626a_100000102301_100000692101 [1,0,0,0,0,0|1,0,0]=2 274 B10R0.91 C#CCCC(=O)NCCCC 240690a_100000102301_100000692101 [1,0,0,0,0,0|1,0,0]=2 275 B10R0.91 C#CCCC(=O)NCCCC 527a_100000102301_100000692101 [1,0,0,0,0,0|1,0,0]=2 276 B10R0.91 C#CCCC(=O)NCCCF 11a_100015189416_100000692101 [1,0,0,0,0,0|2,0,0]=3 277 B10R0.91 C#CCCC(=O)NCCCF 1626a_100015189416_100000692101 [1,0,0,0,0,0|2,0,0]=3 278 B10R0.91 C#CCCC(=O)NCCCF 240690a_100015189416_100000692101 [1,0,0,0,0,0|2,0,0]=3 279 B10R0.91 C#CCCC(=O)NCCCF 527a_100015189416_100000692101 [1,0,0,0,0,0|2,0,0]=3 280 B10R0.91 C#CCCC(=O)NCCCO 240690a_100000182051_100000692101 [1,0,0,0,0,0|2,0,0]=3 281 B10R0.91 C#CCCC(=O)NCCCO 527a_100000182051_100000692101 [1,0,0,0,0,0|2,0,0]=3 282 B10R0.91 C#CCCC(=O)NCCOC 1626a_100000209980_100000692101 [1,0,0,0,0,0|2,0,0]=3 283 B10R0.91 C#CCCC(=O)NCCOC 240690a_100000209980_100000692101 [1,0,0,0,0,0|2,0,0]=3 284 B10R0.91 C#CCCC(=O)NCCOC 527a_100000209980_100000692101 [1,0,0,0,0,0|2,0,0]=3 285 B10R0.91 C#CCCC(=O)NCCSC 11a_100020590264_100000692101 [1,0,0,0,0,0|2,0,0]=3 286 B10R0.91 C#CCCC(=O)NCCSC 1626a_100020590264_100000692101 [1,0,0,0,0,0|2,0,0]=3 287 B10R0.91 C#CCCC(=O)NCCSC 240690a_100020590264_100000692101 [1,0,0,0,0,0|2,0,0]=3 288 B10R0.91 C#CCCC(=O)NCCSC 527a_100020590264_100000692101 [1,0,0,0,0,0|2,0,0]=3 289 B10R0.91 C#CCCC(=O)NNCCC 22a_100000740057_100000692101 [1,0,0,0,0,0|2,0,0]=3 290 B10R0.91 C#CCCC(=O)NNCCO 22a_100000210001_100000692101 [1,0,0,0,0,0|3,0,0]=4 291 B10R0.91 C#CCCCC(=O)CCCC 1458a_100000210183_100000731252 [1,0,0,0,0,0|2,0,1]=4 292 B10R0.91 C#CCCCC(=O)CCCC 1458a_100000690238_100000210211 [1,0,0,0,0,0|2,0,1]=4 293 B10R0.91 C#CCCCC(=O)NCCC 11a_100020643023_100000690238 [1,0,0,0,0,0|2,0,1]=4 294 B10R0.91 C#CCCCC(=O)NCCC 1626a_100020643023_100000690238 [1,0,0,0,0,0|2,0,1]=4 295 B10R0.91 C#CCCCC(=O)NCCC 240690a_100020643023_100000690238 [1,0,0,0,0,0|2,0,1]=4 296 B10R0.91 C#CCCCC(=O)NCCC 527a_100020643023_100000690238 [1,0,0,0,0,0|2,0,1]=4 297 B10R0.91 C#CCCNC(=O)CCC#C 11a_100000755551_100000692101 [1,0,0,0,0,0|1,0,2]=4 298 B10R0.91 C#CCCNC(=O)CCC#C 1626a_100000755551_100000692101 [1,0,0,0,0,0|1,0,2]=4 299 B10R0.91 C#CCCNC(=O)CCC#C 240690a_100000755551_100000692101 [1,0,0,0,0,0|1,0,2]=4 300 B10R0.91 C#CCCNC(=O)CCC#C 527a_100000755551_100000692101 [1,0,0,0,0,0|1,0,2]=4 301 B10R0.91 C#CCCNC(=O)CCCC 11a_100000755551_100000210183 [1,0,0,0,0,0|2,0,1]=4 302 B10R0.91 C#CCCNC(=O)CCCC 1626a_100000755551_100000210183 [1,0,0,0,0,0|2,0,1]=4 303 B10R0.91 C#CCCNC(=O)CCCC 240690a_100000755551_100000210183 [1,0,0,0,0,0|2,0,1]=4 304 B10R0.91 C#CCCNC(=O)CCCC 527a_100000755551_100000210183 [1,0,0,0,0,0|2,0,1]=4 305 B10R0.91 C#CCCNC(=O)NCC#C 2708a_100000212058_100000755551 [1,0,0,0,0,0|1,0,2]=4 306 B10R0.91 C#CCCNC(=O)NCC#C 2708a_100000755551_100000212058 [1,0,0,0,0,0|1,0,2]=4 307 B10R0.91 C#CCCNC(=O)NCC#C 273464a_100000212058_100000755551 [1,0,0,0,0,0|1,0,2]=4 308 B10R0.91 C#CCCNC(=O)NCC#C 273464a_100000755551_100000212058 [1,0,0,0,0,0|1,0,2]=4 309 B10R0.91 C#CCCNC(=O)NCC#C 512a_100000212058_100000755551 [1,0,0,0,0,0|1,0,2]=4 310 B10R0.91 C#CCCNC(=O)NCC#C 512a_100000755551_100000212058 [1,0,0,0,0,0|1,0,2]=4 311 B10R0.91 C#CCCNC(=O)NCCC 2708a_100000755551_100020643023 [1,0,0,0,0,0|2,0,1]=4 312 B10R0.91 C#CCCNC(=O)NCCC 2708a_100020643023_100000755551 [1,0,0,0,0,0|2,0,1]=4 313 B10R0.91 C#CCCNC(=O)NCCC 273464a_100000755551_100020643023 [1,0,0,0,0,0|2,0,1]=4 314 B10R0.91 C#CCCNC(=O)NCCC 273464a_100020643023_100000755551 [1,0,0,0,0,0|2,0,1]=4 315 B10R0.91 C#CCCNC(=O)NCCC 512a_100000755551_100020643023 [1,0,0,0,0,0|2,0,1]=4 316 B10R0.91 C#CCCNC(=O)NCCC 512a_100020643023_100000755551 [1,0,0,0,0,0|2,0,1]=4 317 B10R0.91 C#CCNC(=O)C#CCCC 240690a_100000212058_200011218047 [1,0,0,0,0,0|2,0,1]=4 318 B10R0.91 C#CCNC(=O)C=CCCC 11a_100000212058_100000212230 [1,0,0,0,0,0|2,0,1]=4 319 B10R0.91 C#CCNC(=O)C=CCCC 1626a_100000212058_100000212230 [1,0,0,0,0,0|2,0,1]=4 320 B10R0.91 C#CCNC(=O)C=CCCC 240690a_100000212058_100000212230 [1,0,0,0,0,0|2,0,1]=4 321 B10R0.91 C#CCNC(=O)CCCCC 11a_100000212058_100000212188 [1,0,0,0,0,0|2,0,0]=3 322 B10R0.91 C#CCNC(=O)CCCCC 1626a_100000212058_100000212188 [1,0,0,0,0,0|2,0,0]=3 323 B10R0.91 C#CCNC(=O)CCCCC 240690a_100000212058_100000212188 [1,0,0,0,0,0|2,0,0]=3 324 B10R0.91 C#CCNC(=O)CCCCC 527a_100000212058_100000212188 [1,0,0,0,0,0|2,0,0]=3 325 B10R0.91 C#CCNC(=O)CCCCO 1626a_100000212058_100000695505 [1,0,0,0,0,0|3,0,0]=4 326 B10R0.91 C#CCNC(=O)CCCOC 11a_100000212058_100000741012 [1,0,0,0,0,0|3,0,0]=4 327 B10R0.91 C#CCNC(=O)CCCOC 1626a_100000212058_100000741012 [1,0,0,0,0,0|3,0,0]=4 328 B10R0.91 C#CCNC(=O)CCCOC 240690a_100000212058_100000741012 [1,0,0,0,0,0|3,0,0]=4 329 B10R0.91 C#CCNC(=O)CCCOC 527a_100000212058_100000741012 [1,0,0,0,0,0|3,0,0]=4 330 B10R0.91 C#CCNC(=O)CCCSC 11a_100000212058_100000173376 [1,0,0,0,0,0|3,0,0]=4 331 B10R0.91 C#CCNC(=O)CCCSC 1626a_100000212058_100000173376 [1,0,0,0,0,0|3,0,0]=4 332 B10R0.91 C#CCNC(=O)CCCSC 240690a_100000212058_100000173376 [1,0,0,0,0,0|3,0,0]=4 333 B10R0.91 C#CCNC(=O)CCCSC 527a_100000212058_100000173376 [1,0,0,0,0,0|3,0,0]=4 334 B10R0.91 C#CCNC(=O)CCOCC 11a_100000212058_100000749530 [1,0,0,0,0,0|3,0,0]=4 335 B10R0.91 C#CCNC(=O)CCOCC 1626a_100000212058_100000749530 [1,0,0,0,0,0|3,0,0]=4 336 B10R0.91 C#CCNC(=O)CCOCC 240690a_100000212058_100000749530 [1,0,0,0,0,0|3,0,0]=4 337 B10R0.91 C#CCNC(=O)CCOCC 527a_100000212058_100000749530 [1,0,0,0,0,0|3,0,0]=4 338 B10R0.91 C#CCNC(=O)CCSCC 11a_100000212058_100000230768 [1,0,0,0,0,0|3,0,0]=4 339 B10R0.91 C#CCNC(=O)CCSCC 1626a_100000212058_100000230768 [1,0,0,0,0,0|3,0,0]=4 340 B10R0.91 C#CCNC(=O)CCSCC 240690a_100000212058_100000230768 [1,0,0,0,0,0|3,0,0]=4 341 B10R0.91 C#CCNC(=O)CCSCC 527a_100000212058_100000230768 [1,0,0,0,0,0|3,0,0]=4 342 B10R0.91 C#CCNC(=O)CNCCC 2230a_100000747989_100000210303 [1,0,0,0,0,0|3,0,0]=4 343 B10R0.91 C#CCNC(=O)CNCCC 34a_100000747989_100000210303 [1,0,0,0,0,0|3,0,0]=4 344 B10R0.91 C#CCNC(=O)COCCC 11a_100000212058_100000745993 [1,0,0,0,0,0|3,0,0]=4 345 B10R0.91 C#CCNC(=O)COCCC 1626a_100000212058_100000745993 [1,0,0,0,0,0|3,0,0]=4 346 B10R0.91 C#CCNC(=O)COCCC 240690a_100000212058_100000745993 [1,0,0,0,0,0|3,0,0]=4 347 B10R0.91 C#CCNC(=O)COCCC 527a_100000212058_100000745993 [1,0,0,0,0,0|3,0,0]=4 348 B10R0.91 C#CCNC(=O)CSCCC 11a_100000212058_100000217233 [1,0,0,0,0,0|3,0,0]=4 349 B10R0.91 C#CCNC(=O)CSCCC 1626a_100000212058_100000217233 [1,0,0,0,0,0|3,0,0]=4 350 B10R0.91 C#CCNC(=O)CSCCC 240690a_100000212058_100000217233 [1,0,0,0,0,0|3,0,0]=4 351 B10R0.91 C#CCNC(=O)CSCCC 527a_100000212058_100000217233 [1,0,0,0,0,0|3,0,0]=4 352 B10R0.91 C#CCNC(=O)NCC#CC 2708a_100000212058_100000685387 [1,0,0,0,0,0|1,0,2]=4 353 B10R0.91 C#CCNC(=O)NCC#CC 273464a_100000212058_100000685387 [1,0,0,0,0,0|1,0,2]=4 354 B10R0.91 C#CCNC(=O)NCC#CC 273464a_100000685387_100000212058 [1,0,0,0,0,0|1,0,2]=4 355 B10R0.91 C#CCNC(=O)NCC#CC 512a_100000212058_100000685387 [1,0,0,0,0,0|1,0,2]=4 356 B10R0.91 C#CCNC(=O)NCC#CC 512a_100000685387_100000212058 [1,0,0,0,0,0|1,0,2]=4 357 B10R0.91 C#CCNC(=O)NCCC#N 2708a_100000212058_100000720768 [1,0,0,0,0,0|2,0,1]=4 358 B10R0.91 C#CCNC(=O)NCCC#N 2708a_100000720768_100000212058 [1,0,0,0,0,0|2,0,1]=4 359 B10R0.91 C#CCNC(=O)NCCC#N 273464a_100000212058_100000720768 [1,0,0,0,0,0|2,0,1]=4 360 B10R0.91 C#CCNC(=O)NCCC#N 273464a_100000720768_100000212058 [1,0,0,0,0,0|2,0,1]=4 361 B10R0.91 C#CCNC(=O)NCCC#N 512a_100000212058_100000720768 [1,0,0,0,0,0|2,0,1]=4 362 B10R0.91 C#CCNC(=O)NCCC#N 512a_100000720768_100000212058 [1,0,0,0,0,0|2,0,1]=4 363 B10R0.91 C#CCNC(=O)NCCC=C 2708a_100000212058_100015191253 [1,0,0,0,0,0|1,0,2]=4 364 B10R0.91 C#CCNC(=O)NCCC=C 2708a_100015191253_100000212058 [1,0,0,0,0,0|1,0,2]=4 365 B10R0.91 C#CCNC(=O)NCCC=C 273464a_100000212058_100015191253 [1,0,0,0,0,0|1,0,2]=4 366 B10R0.91 C#CCNC(=O)NCCC=C 273464a_100015191253_100000212058 [1,0,0,0,0,0|1,0,2]=4 367 B10R0.91 C#CCNC(=O)NCCC=C 512a_100000212058_100015191253 [1,0,0,0,0,0|1,0,2]=4 368 B10R0.91 C#CCNC(=O)NCCC=C 512a_100015191253_100000212058 [1,0,0,0,0,0|1,0,2]=4 369 B10R0.91 C#CCNC(=O)NCCCC 2708a_100000102301_100000212058 [1,0,0,0,0,0|1,0,0]=2 370 B10R0.91 C#CCNC(=O)NCCCC 2708a_100000212058_100000102301 [1,0,0,0,0,0|1,0,0]=2 371 B10R0.91 C#CCNC(=O)NCCCC 273464a_100000102301_100000212058 [1,0,0,0,0,0|1,0,0]=2 372 B10R0.91 C#CCNC(=O)NCCCC 273464a_100000212058_100000102301 [1,0,0,0,0,0|1,0,0]=2 373 B10R0.91 C#CCNC(=O)NCCCC 512a_100000102301_100000212058 [1,0,0,0,0,0|1,0,0]=2 374 B10R0.91 C#CCNC(=O)NCCCC 512a_100000212058_100000102301 [1,0,0,0,0,0|1,0,0]=2 375 B10R0.91 C#CCNC(=O)NCCCF 2708a_100000212058_100015189416 [1,0,0,0,0,0|2,0,0]=3 376 B10R0.91 C#CCNC(=O)NCCCF 2708a_100015189416_100000212058 [1,0,0,0,0,0|2,0,0]=3 377 B10R0.91 C#CCNC(=O)NCCCF 273464a_100000212058_100015189416 [1,0,0,0,0,0|2,0,0]=3 378 B10R0.91 C#CCNC(=O)NCCCF 273464a_100015189416_100000212058 [1,0,0,0,0,0|2,0,0]=3 379 B10R0.91 C#CCNC(=O)NCCCF 512a_100000212058_100015189416 [1,0,0,0,0,0|2,0,0]=3 380 B10R0.91 C#CCNC(=O)NCCCF 512a_100015189416_100000212058 [1,0,0,0,0,0|2,0,0]=3 381 B10R0.91 C#CCNC(=O)NCCCO 2708a_100000212058_100000182051 [1,0,0,0,0,0|2,0,0]=3 382 B10R0.91 C#CCNC(=O)NCCCO 273464a_100000182051_100000212058 [1,0,0,0,0,0|2,0,0]=3 383 B10R0.91 C#CCNC(=O)NCCCO 273464a_100000212058_100000182051 [1,0,0,0,0,0|2,0,0]=3 384 B10R0.91 C#CCNC(=O)NCCCO 512a_100000212058_100000182051 [1,0,0,0,0,0|2,0,0]=3 385 B10R0.91 C#CCNC(=O)NCCOC 2708a_100000212058_100000209980 [1,0,0,0,0,0|2,0,0]=3 386 B10R0.91 C#CCNC(=O)NCCOC 273464a_100000209980_100000212058 [1,0,0,0,0,0|2,0,0]=3 387 B10R0.91 C#CCNC(=O)NCCOC 273464a_100000212058_100000209980 [1,0,0,0,0,0|2,0,0]=3 388 B10R0.91 C#CCNC(=O)NCCSC 2708a_100000212058_100020590264 [1,0,0,0,0,0|2,0,0]=3 389 B10R0.91 C#CCNC(=O)NCCSC 2708a_100020590264_100000212058 [1,0,0,0,0,0|2,0,0]=3 390 B10R0.91 C#CCNC(=O)NCCSC 273464a_100000212058_100020590264 [1,0,0,0,0,0|2,0,0]=3 391 B10R0.91 C#CCNC(=O)NCCSC 273464a_100020590264_100000212058 [1,0,0,0,0,0|2,0,0]=3 392 B10R0.91 C#CCNC(=O)NCCSC 512a_100000212058_100020590264 [1,0,0,0,0,0|2,0,0]=3 393 B10R0.91 C#CCNC(=O)NCCSC 512a_100020590264_100000212058 [1,0,0,0,0,0|2,0,0]=3 394 B10R0.91 C#CCNC(=O)NNCCC 273464a_100000212058_100000740057 [1,0,0,0,0,0|2,0,0]=3 395 B10R0.91 C#CCNC(=O)NNCCC 512a_100000212058_100000740057 [1,0,0,0,0,0|2,0,0]=3 396 B10R0.91 C#CCNC(=O)NNCCC 512a_100000740057_100000212058 [1,0,0,0,0,0|2,0,0]=3 397 B10R0.91 C#CCNC(=O)NNCCO 273464a_100000212058_100000210001 [1,0,0,0,0,0|3,0,0]=4 398 B10R0.91 C#CCNC(=O)NNCCO 512a_100000212058_100000210001 [1,0,0,0,0,0|3,0,0]=4 399 B10R0.91 C#CCOC(C)CCCCC 34a_100000210247_200011218191 [1,0,0,0,0,0|2,0,1]=4 400 B10R0.91 C#CCOC(C)CCCCC 34a_100011215632_100000184674 [1,0,0,0,0,0|2,0,1]=4 401 B10R0.91 C#CCOC(C)CCCCC 7a_100011215632_100000038162 [1,0,0,0,0,0|2,0,1]=4 402 B10R0.91 C=CCCC(=O)NCCCC 11a_100000102301_100000749702 [1,0,0,0,0,0|1,0,2]=4 403 B10R0.91 C=CCCC(=O)NCCCC 1626a_100000102301_100000749702 [1,0,0,0,0,0|1,0,2]=4 404 B10R0.91 C=CCCC(=O)NCCCC 240690a_100000102301_100000749702 [1,0,0,0,0,0|1,0,2]=4 405 B10R0.91 C=CCCC(=O)NCCCC 527a_100000102301_100000749702 [1,0,0,0,0,0|1,0,2]=4 406 B10R0.91 C=CCNC(=O)NCCCC 2708a_100000102301_100020586998 [1,0,0,0,0,0|1,0,2]=4 407 B10R0.91 C=CCNC(=O)NCCCC 273464a_100000102301_100020586998 [1,0,0,0,0,0|1,0,2]=4 408 B10R0.91 C=CCNC(=O)NCCCC 273464a_100020586998_100000102301 [1,0,0,0,0,0|1,0,2]=4 409 B10R0.91 C=CCNC(=O)NCCCC 512a_100000102301_100020586998 [1,0,0,0,0,0|1,0,2]=4 410 B10R0.91 C=CCNC(=O)NCCCC 512a_100020586998_100000102301 [1,0,0,0,0,0|1,0,2]=4 411 B10R0.91 CC#CCC(=O)C#CCCC 1458a_200011218047_100000748600 [1,0,0,0,0,0|2,0,1]=4 412 B10R0.91 CC#CCC(=O)C=CCCC 1458a_100000212230_100000748600 [1,0,0,0,0,0|2,0,1]=4 413 B10R0.91 CC#CCC(=O)CCCCC 1458a_100000212188_100000748600 [1,0,0,0,0,0|2,0,0]=3 414 B10R0.91 CC#CCC(=O)CCCCO 1458a_100000695505_100000748600 [1,0,0,0,0,0|3,0,0]=4 415 B10R0.91 CC#CCC(=O)CCCOC 1458a_100000741012_100000748600 [1,0,0,0,0,0|3,0,0]=4 416 B10R0.91 CC#CCC(=O)CCCSC 1458a_100000173376_100000748600 [1,0,0,0,0,0|3,0,0]=4 417 B10R0.91 CC#CCC(=O)CCOCC 1458a_100000749530_100000748600 [1,0,0,0,0,0|3,0,0]=4 418 B10R0.91 CC#CCC(=O)CCSCC 1458a_100000230768_100000748600 [1,0,0,0,0,0|3,0,0]=4 419 B10R0.91 CC#CCC(=O)COCCC 1458a_100000745993_100000748600 [1,0,0,0,0,0|3,0,0]=4 420 B10R0.91 CC#CCC(=O)CSCCC 1458a_100000217233_100000748600 [1,0,0,0,0,0|3,0,0]=4 421 B10R0.91 CC#CCNC(=O)CCCC 11a_100000685387_100000210183 [1,0,0,0,0,0|2,0,0]=3 422 B10R0.91 CC#CCNC(=O)CCCC 1626a_100000685387_100000210183 [1,0,0,0,0,0|2,0,0]=3 423 B10R0.91 CC#CCNC(=O)CCCC 527a_100000685387_100000210183 [1,0,0,0,0,0|2,0,0]=3 424 B10R0.91 CC#CCNC(=O)CCOC 11a_100000685387_100000749529 [1,0,0,0,0,0|3,0,0]=4 425 B10R0.91 CC#CCNC(=O)CCOC 1626a_100000685387_100000749529 [1,0,0,0,0,0|3,0,0]=4 426 B10R0.91 CC#CCNC(=O)CCOC 527a_100000685387_100000749529 [1,0,0,0,0,0|3,0,0]=4 427 B10R0.91 CC#CCNC(=O)CCSC 11a_100000685387_100000174002 [1,0,0,0,0,0|3,0,0]=4 428 B10R0.91 CC#CCNC(=O)CCSC 1626a_100000685387_100000174002 [1,0,0,0,0,0|3,0,0]=4 429 B10R0.91 CC#CCNC(=O)CCSC 527a_100000685387_100000174002 [1,0,0,0,0,0|3,0,0]=4 430 B10R0.91 CC#CCNC(=O)COCC 11a_100000685387_100000211967 [1,0,0,0,0,0|3,0,0]=4 431 B10R0.91 CC#CCNC(=O)COCC 1626a_100000685387_100000211967 [1,0,0,0,0,0|3,0,0]=4 432 B10R0.91 CC#CCNC(=O)COCC 527a_100000685387_100000211967 [1,0,0,0,0,0|3,0,0]=4 433 B10R0.91 CC#CCNC(=O)CSCC 11a_100000685387_100000230394 [1,0,0,0,0,0|3,0,0]=4 434 B10R0.91 CC#CCNC(=O)CSCC 1626a_100000685387_100000230394 [1,0,0,0,0,0|3,0,0]=4 435 B10R0.91 CC#CCNC(=O)CSCC 527a_100000685387_100000230394 [1,0,0,0,0,0|3,0,0]=4 436 B10R0.91 CC#CCNC(=O)NCCC 2708a_100020643023_100000685387 [1,0,0,0,0,0|2,0,0]=3 437 B10R0.91 CC#CCNC(=O)NCCC 273464a_100000685387_100020643023 [1,0,0,0,0,0|2,0,0]=3 438 B10R0.91 CC#CCNC(=O)NCCC 273464a_100020643023_100000685387 [1,0,0,0,0,0|2,0,0]=3 439 B10R0.91 CC#CCNC(=O)NCCC 512a_100000685387_100020643023 [1,0,0,0,0,0|2,0,0]=3 440 B10R0.91 CC#CCNC(=O)NCCC 512a_100020643023_100000685387 [1,0,0,0,0,0|2,0,0]=3 441 B10R0.91 CC#CCNC(=O)NCCF 273464a_100000685387_100000724931 [1,0,0,0,0,0|3,0,0]=4 442 B10R0.91 CC#CCNC(=O)NCCF 273464a_100000724931_100000685387 [1,0,0,0,0,0|3,0,0]=4 443 B10R0.91 CC#CCNC(=O)NCCF 512a_100000685387_100000724931 [1,0,0,0,0,0|3,0,0]=4 444 B10R0.91 CC#CCNC(=O)NCCO 273464a_100000210304_100000685387 [1,0,0,0,0,0|3,0,0]=4 445 B10R0.91 CC#CCNC(=O)NCCO 273464a_100000685387_100000210304 [1,0,0,0,0,0|3,0,0]=4 446 B10R0.91 CC#CCNC(=O)NCCO 512a_100000685387_100000210304 [1,0,0,0,0,0|3,0,0]=4 447 B10R0.91 CC#CCNC(=O)NNCC 273464a_100000685387_100000756455 [1,0,0,0,0,0|3,0,0]=4 448 B10R0.91 CC#CCNC(=O)NNCC 512a_100000685387_100000756455 [1,0,0,0,0,0|3,0,0]=4 449 B10R0.91 CC#CCNC(=O)NNCC 512a_100000756455_100000685387 [1,0,0,0,0,0|3,0,0]=4 450 B10R0.91 CC#CCOC(C)CCCC 34a_100000687866_100000748600 [1,0,0,0,0,0|2,0,1]=4 451 B10R0.91 CC#CCOC(C)CCCC 34a_100000761923_200011215066 [1,0,0,0,0,0|2,0,1]=4 452 B10R0.91 CC#CCOC(C)CCCC 7a_100000687866_100000748600 [1,0,0,0,0,0|2,0,1]=4 453 B10R0.91 CC=CCC(=O)NCCCC 11a_100000102301_100121576822 [1,0,0,0,0,0|1,0,2]=4 454 B10R0.91 CC=CCC(=O)NCCCC 1626a_100000102301_100121576822 [1,0,0,0,0,0|1,0,2]=4 455 B10R0.91 CC=CCC(=O)NCCCC 240690a_100000102301_100121576822 [1,0,0,0,0,0|1,0,2]=4 456 B10R0.91 CC=CCC(=O)NCCCC 527a_100000102301_100121576822 [1,0,0,0,0,0|1,0,2]=4 457 B10R0.91 CCCCC(=O)CCCC#N 1458a_100000075515_100000210211 [1,0,0,0,0,0|2,0,1]=4 458 B10R0.91 CCCCC(=O)CCCC#N 1458a_100000210183_100000211468 [1,0,0,0,0,0|2,0,1]=4 459 B10R0.91 CCCCC(=O)NCCC#N 11a_100000720768_100000210183 [1,0,0,0,0,0|2,0,1]=4 460 B10R0.91 CCCCC(=O)NCCC#N 1626a_100000720768_100000210183 [1,0,0,0,0,0|2,0,1]=4 461 B10R0.91 CCCCC(=O)NCCC#N 240690a_100000720768_100000210183 [1,0,0,0,0,0|2,0,1]=4 462 B10R0.91 CCCCC(=O)NCCC#N 527a_100000720768_100000210183 [1,0,0,0,0,0|2,0,1]=4 463 B10R0.91 CCCCCC(=O)CCC#N 1458a_100000212188_100011215226 [1,0,0,0,0,0|2,0,1]=4 464 B10R0.91 CCCCCC(=O)CCC#N 1458a_100011934036_100000210326 [1,0,0,0,0,0|2,0,1]=4 465 B10R0.91 CCCCCC(=O)NCC#N 1626a_100000734998_100000212188 [1,0,0,0,0,0|3,0,0]=4 466 B10R0.91 CCCCCC(=O)NCC#N 527a_100000734998_100000212188 [1,0,0,0,0,0|3,0,0]=4 467 B10R0.91 CCCCNC(=O)CCC#N 11a_100000102301_100011934036 [1,0,0,0,0,0|1,0,1]=3 468 B10R0.91 CCCCNC(=O)CCC#N 1626a_100000102301_100011934036 [1,0,0,0,0,0|1,0,1]=3 469 B10R0.91 CCCCNC(=O)CCC#N 240690a_100000102301_100011934036 [1,0,0,0,0,0|1,0,1]=3 470 B10R0.91 CCCCNC(=O)CCC#N 527a_100000102301_100011934036 [1,0,0,0,0,0|1,0,1]=3 471 B10R0.91 CCCCNC(=O)CCCC 11a_100000102301_100000210183 [1,0,0,0,0,0|1,0,2]=4 472 B10R0.91 CCCCNC(=O)CCCC 1626a_100000102301_100000210183 [1,0,0,0,0,0|1,0,2]=4 473 B10R0.91 CCCCNC(=O)CCCC 240690a_100000102301_100000210183 [1,0,0,0,0,0|1,0,2]=4 474 B10R0.91 CCCCNC(=O)CCCC 527a_100000102301_100000210183 [1,0,0,0,0,0|1,0,2]=4 475 B10R0.91 CCCCNC(=O)CCOC 11a_100000102301_100000749529 [1,0,0,0,0,0|2,0,1]=4 476 B10R0.91 CCCCNC(=O)CCOC 1626a_100000102301_100000749529 [1,0,0,0,0,0|2,0,1]=4 477 B10R0.91 CCCCNC(=O)CCOC 240690a_100000102301_100000749529 [1,0,0,0,0,0|2,0,1]=4 478 B10R0.91 CCCCNC(=O)CCOC 527a_100000102301_100000749529 [1,0,0,0,0,0|2,0,1]=4 479 B10R0.91 CCCCNC(=O)CCSC 11a_100000102301_100000174002 [1,0,0,0,0,0|2,0,1]=4 480 B10R0.91 CCCCNC(=O)CCSC 1626a_100000102301_100000174002 [1,0,0,0,0,0|2,0,1]=4 481 B10R0.91 CCCCNC(=O)CCSC 240690a_100000102301_100000174002 [1,0,0,0,0,0|2,0,1]=4 482 B10R0.91 CCCCNC(=O)CCSC 527a_100000102301_100000174002 [1,0,0,0,0,0|2,0,1]=4 483 B10R0.91 CCCCNC(=O)CN=[N+]=[N-] 11a_100000102301_100000751907 [1,0,0,0,0,0|3,0,0]=4 484 B10R0.91 CCCCNC(=O)CN=[N+]=[N-] 240690a_100000102301_100000751907 [1,0,0,0,0,0|3,0,0]=4 485 B10R0.91 CCCCNC(=O)CNCC 2230a_100015525214_100000182744 [1,0,0,0,0,0|2,0,1]=4 486 B10R0.91 CCCCNC(=O)COCC 11a_100000102301_100000211967 [1,0,0,0,0,0|2,0,1]=4 487 B10R0.91 CCCCNC(=O)COCC 1626a_100000102301_100000211967 [1,0,0,0,0,0|2,0,1]=4 488 B10R0.91 CCCCNC(=O)COCC 240690a_100000102301_100000211967 [1,0,0,0,0,0|2,0,1]=4 489 B10R0.91 CCCCNC(=O)COCC 34a_100121572206_100000182744 [1,0,0,0,0,0|2,0,1]=4 490 B10R0.91 CCCCNC(=O)COCC 527a_100000102301_100000211967 [1,0,0,0,0,0|2,0,1]=4 491 B10R0.91 CCCCNC(=O)CSCC 11a_100000102301_100000230394 [1,0,0,0,0,0|2,0,1]=4 492 B10R0.91 CCCCNC(=O)CSCC 1626a_100000102301_100000230394 [1,0,0,0,0,0|2,0,1]=4 493 B10R0.91 CCCCNC(=O)CSCC 240690a_100000102301_100000230394 [1,0,0,0,0,0|2,0,1]=4 494 B10R0.91 CCCCNC(=O)CSCC 527a_100000102301_100000230394 [1,0,0,0,0,0|2,0,1]=4 495 B10R0.91 CCCCNC(=O)CSCC 62a_100000182744_100000210202 [1,0,0,0,0,0|2,0,1]=4 496 B10R0.91 CCCCNC(=O)CSCC 62a_100000210202_100000182744 [1,0,0,0,0,0|2,0,1]=4 497 B10R0.91 CCCCNC(=O)CSCF 62a_100000182744_100015361967 [1,0,0,0,0,0|1,1,1]=4 498 B10R0.91 CCCCNC(=O)CSCF 62a_100015361967_100000182744 [1,0,0,0,0,0|1,1,1]=4 499 B10R0.91 CCCCNC(=O)NCC#N 2708a_100000734998_100000102301 [1,0,0,0,0,0|2,0,0]=3 500 B10R0.91 CCCCNC(=O)NCC#N 273464a_100000102301_100000734998 [1,0,0,0,0,0|2,0,0]=3 501 B10R0.91 CCCCNC(=O)NCC#N 273464a_100000734998_100000102301 [1,0,0,0,0,0|2,0,0]=3 502 B10R0.91 CCCCNC(=O)NCC#N 512a_100000102301_100000734998 [1,0,0,0,0,0|2,0,0]=3 503 B10R0.91 CCCCNC(=O)NCC#N 512a_100000734998_100000102301 [1,0,0,0,0,0|2,0,0]=3 504 B10R0.91 CCCCNC(=O)NCCC 2708a_100000102301_100020643023 [1,0,0,0,0,0|1,0,2]=4 505 B10R0.91 CCCCNC(=O)NCCC 2708a_100020643023_100000102301 [1,0,0,0,0,0|1,0,2]=4 506 B10R0.91 CCCCNC(=O)NCCC 273464a_100000102301_100020643023 [1,0,0,0,0,0|1,0,2]=4 507 B10R0.91 CCCCNC(=O)NCCC 273464a_100020643023_100000102301 [1,0,0,0,0,0|1,0,2]=4 508 B10R0.91 CCCCNC(=O)NCCC 512a_100000102301_100020643023 [1,0,0,0,0,0|1,0,2]=4 509 B10R0.91 CCCCNC(=O)NCCC 512a_100020643023_100000102301 [1,0,0,0,0,0|1,0,2]=4 510 B10R0.91 CCCCNC(=O)NCCF 2708a_100000102301_100000724931 [1,0,0,0,0,0|1,1,1]=4 511 B10R0.91 CCCCNC(=O)NCCF 273464a_100000102301_100000724931 [1,0,0,0,0,0|1,1,1]=4 512 B10R0.91 CCCCNC(=O)NCCF 273464a_100000724931_100000102301 [1,0,0,0,0,0|1,1,1]=4 513 B10R0.91 CCCCNC(=O)NCCF 512a_100000102301_100000724931 [1,0,0,0,0,0|1,1,1]=4 514 B10R0.91 CCCCNC(=O)NCCO 2708a_100000102301_100000210304 [1,0,0,0,0,0|2,0,1]=4 515 B10R0.91 CCCCNC(=O)NCCO 273464a_100000102301_100000210304 [1,0,0,0,0,0|2,0,1]=4 516 B10R0.91 CCCCNC(=O)NCCO 273464a_100000210304_100000102301 [1,0,0,0,0,0|2,0,1]=4 517 B10R0.91 CCCCNC(=O)NCCO 512a_100000102301_100000210304 [1,0,0,0,0,0|2,0,1]=4 518 B10R0.91 CCCNC(=O)CCCC#N 11a_100020643023_100000075515 [1,0,0,0,0,0|2,0,1]=4 519 B10R0.91 CCCNC(=O)CCCC#N 1626a_100020643023_100000075515 [1,0,0,0,0,0|2,0,1]=4 520 B10R0.91 CCCNC(=O)CCCC#N 240690a_100020643023_100000075515 [1,0,0,0,0,0|2,0,1]=4 521 B10R0.91 CCCNC(=O)CCCC#N 527a_100020643023_100000075515 [1,0,0,0,0,0|2,0,1]=4 522 B10R0.91 CCCNC(=O)NCCC#N 2708a_100000720768_100020643023 [1,0,0,0,0,0|2,0,1]=4 523 B10R0.91 CCCNC(=O)NCCC#N 2708a_100020643023_100000720768 [1,0,0,0,0,0|2,0,1]=4 524 B10R0.91 CCCNC(=O)NCCC#N 273464a_100000720768_100020643023 [1,0,0,0,0,0|2,0,1]=4 525 B10R0.91 CCCNC(=O)NCCC#N 273464a_100020643023_100000720768 [1,0,0,0,0,0|2,0,1]=4 526 B10R0.91 CCCNC(=O)NCCC#N 512a_100000720768_100020643023 [1,0,0,0,0,0|2,0,1]=4 527 B10R0.91 CCCNC(=O)NCCC#N 512a_100020643023_100000720768 [1,0,0,0,0,0|2,0,1]=4 528 B10R0.91 CCCNNC(=O)CCC#N 22a_100000740057_100011934036 [1,0,0,0,0,0|2,0,1]=4 529 B10R0.91 CCCNNC(=O)NCC#N 273464a_100000734998_100000740057 [1,0,0,0,0,0|3,0,0]=4 530 B10R0.91 CCCNNC(=O)NCC#N 512a_100000734998_100000740057 [1,0,0,0,0,0|3,0,0]=4 531 B10R0.91 CCCNNC(=O)NCC#N 512a_100000740057_100000734998 [1,0,0,0,0,0|3,0,0]=4 532 B10R0.91 COCCNC(=O)CCC#N 1626a_100000209980_100011934036 [1,0,0,0,0,0|2,0,1]=4 533 B10R0.91 COCCNC(=O)CCC#N 240690a_100000209980_100011934036 [1,0,0,0,0,0|2,0,1]=4 534 B10R0.91 COCCNC(=O)CCC#N 527a_100000209980_100011934036 [1,0,0,0,0,0|2,0,1]=4 535 B10R0.91 COCCNC(=O)NCC#N 2708a_100000734998_100000209980 [1,0,0,0,0,0|3,0,0]=4 536 B10R0.91 COCCNC(=O)NCC#N 273464a_100000209980_100000734998 [1,0,0,0,0,0|3,0,0]=4 537 B10R0.91 COCCNC(=O)NCC#N 273464a_100000734998_100000209980 [1,0,0,0,0,0|3,0,0]=4 538 B10R0.91 CSCCNC(=O)CCC#N 11a_100020590264_100011934036 [1,0,0,0,0,0|2,0,1]=4 539 B10R0.91 CSCCNC(=O)CCC#N 1626a_100020590264_100011934036 [1,0,0,0,0,0|2,0,1]=4 540 B10R0.91 CSCCNC(=O)CCC#N 240690a_100020590264_100011934036 [1,0,0,0,0,0|2,0,1]=4 541 B10R0.91 CSCCNC(=O)CCC#N 527a_100020590264_100011934036 [1,0,0,0,0,0|2,0,1]=4 542 B10R0.91 CSCCNC(=O)NCC#N 2708a_100000734998_100020590264 [1,0,0,0,0,0|3,0,0]=4 543 B10R0.91 CSCCNC(=O)NCC#N 273464a_100000734998_100020590264 [1,0,0,0,0,0|3,0,0]=4 544 B10R0.91 CSCCNC(=O)NCC#N 273464a_100020590264_100000734998 [1,0,0,0,0,0|3,0,0]=4 545 B10R0.91 CSCCNC(=O)NCC#N 512a_100000734998_100020590264 [1,0,0,0,0,0|3,0,0]=4 546 B10R0.91 CSCCNC(=O)NCC#N 512a_100020590264_100000734998 [1,0,0,0,0,0|3,0,0]=4 547 B10R0.91 N#CCCC(=O)NCCCF 11a_100015189416_100011934036 [1,0,0,0,0,0|2,0,1]=4 548 B10R0.91 N#CCCC(=O)NCCCF 1626a_100015189416_100011934036 [1,0,0,0,0,0|2,0,1]=4 549 B10R0.91 N#CCCC(=O)NCCCF 240690a_100015189416_100011934036 [1,0,0,0,0,0|2,0,1]=4 550 B10R0.91 N#CCCC(=O)NCCCF 527a_100015189416_100011934036 [1,0,0,0,0,0|2,0,1]=4 551 B10R0.91 N#CCCC(=O)NCCCO 240690a_100000182051_100011934036 [1,0,0,0,0,0|2,0,1]=4 552 B10R0.91 N#CCCC(=O)NCCCO 527a_100000182051_100011934036 [1,0,0,0,0,0|2,0,1]=4 553 B10R0.91 N#CCNC(=O)NCCCF 2708a_100000734998_100015189416 [1,0,0,0,0,0|3,0,0]=4 554 B10R0.91 N#CCNC(=O)NCCCF 273464a_100000734998_100015189416 [1,0,0,0,0,0|3,0,0]=4 555 B10R0.91 N#CCNC(=O)NCCCF 273464a_100015189416_100000734998 [1,0,0,0,0,0|3,0,0]=4 556 B10R0.91 N#CCNC(=O)NCCCF 512a_100000734998_100015189416 [1,0,0,0,0,0|3,0,0]=4 557 B10R0.91 N#CCNC(=O)NCCCF 512a_100015189416_100000734998 [1,0,0,0,0,0|3,0,0]=4 558 B10R0.91 N#CCNC(=O)NCCCO 2708a_100000734998_100000182051 [1,0,0,0,0,0|3,0,0]=4 559 B10R0.91 N#CCNC(=O)NCCCO 273464a_100000182051_100000734998 [1,0,0,0,0,0|3,0,0]=4 560 B10R0.91 N#CCNC(=O)NCCCO 273464a_100000734998_100000182051 [1,0,0,0,0,0|3,0,0]=4 561 B10R0.91 N#CCNC(=O)NCCCO 512a_100000734998_100000182051 [1,0,0,0,0,0|3,0,0]=4 562 B12R0.47 C#CCCCC(=O)NCCCCC 11a_100000209983_100000690238 [0,1,0,0,0,0|2,0,1]=4 563 B12R0.47 C#CCCCC(=O)NCCCCC 1626a_100000209983_100000690238 [0,1,0,0,0,0|2,0,1]=4 564 B12R0.47 C#CCCCC(=O)NCCCCC 240690a_100000209983_100000690238 [0,1,0,0,0,0|2,0,1]=4 565 B12R0.47 C#CCCCC(=O)NCCCCC 527a_100000209983_100000690238 [0,1,0,0,0,0|2,0,1]=4 566 B12R0.47 C#CCCCC(=O)NCCCCO 240690a_100000750430_100000690238 [0,1,0,0,0,0|2,0,1]=4 567 B12R0.47 C#CCCCC(=O)NCCCCO 527a_100000750430_100000690238 [0,1,0,0,0,0|2,0,1]=4 568 B12R0.47 C#CCCCC(=O)NCCCOC 1626a_100150723488_100000690238 [0,1,0,0,0,0|2,0,1]=4 569 B12R0.47 C#CCCCC(=O)NCCCOC 240690a_100150723488_100000690238 [0,1,0,0,0,0|2,0,1]=4 570 B12R0.47 C#CCCCC(=O)NCCCOC 527a_100150723488_100000690238 [0,1,0,0,0,0|2,0,1]=4 571 B12R0.47 C#CCCCC(=O)NCCCSC 11a_100000749238_100000690238 [0,1,0,0,0,0|2,0,1]=4 572 B12R0.47 C#CCCCC(=O)NCCCSC 1626a_100000749238_100000690238 [0,1,0,0,0,0|2,0,1]=4 573 B12R0.47 C#CCCCC(=O)NCCCSC 240690a_100000749238_100000690238 [0,1,0,0,0,0|2,0,1]=4 574 B12R0.47 C#CCCCC(=O)NCCCSC 527a_100000749238_100000690238 [0,1,0,0,0,0|2,0,1]=4 575 B12R0.47 C#CCCCC(=O)NCCOCC 11a_100011200944_100000690238 [0,1,0,0,0,0|2,0,1]=4 576 B12R0.47 C#CCCCC(=O)NCCOCC 1626a_102516460346_100000690238 [0,1,0,0,0,0|2,0,1]=4 577 B12R0.47 C#CCCCC(=O)NCCOCC 240690a_100011200944_100000690238 [0,1,0,0,0,0|2,0,1]=4 578 B12R0.47 C#CCCCC(=O)NCCOCC 527a_100011200944_100000690238 [0,1,0,0,0,0|2,0,1]=4 579 B12R0.47 C#CCCCC(=O)NCCSCC 11a_100000106463_100000690238 [0,1,0,0,0,0|2,0,1]=4 580 B12R0.47 C#CCCCC(=O)NCCSCC 1626a_100000106463_100000690238 [0,1,0,0,0,0|2,0,1]=4 581 B12R0.47 C#CCCCC(=O)NCCSCC 240690a_100000106463_100000690238 [0,1,0,0,0,0|2,0,1]=4 582 B12R0.47 C#CCCCC(=O)NCCSCC 527a_100000106463_100000690238 [0,1,0,0,0,0|2,0,1]=4 583 B12R0.47 C#CCCCC(=O)NNCCCC 22a_100025702795_100000690238 [0,1,0,0,0,0|2,0,1]=4 584 B12R0.47 C#CCCCCC(=O)NCCCC 11a_100000102301_100000696528 [0,1,0,0,0,0|2,0,1]=4 585 B12R0.47 C#CCCCCC(=O)NCCCC 1626a_100000102301_100000696528 [0,1,0,0,0,0|2,0,1]=4 586 B12R0.47 C#CCCCCC(=O)NCCCC 240690a_100000102301_100000696528 [0,1,0,0,0,0|2,0,1]=4 587 B12R0.47 C#CCCCCC(=O)NCCCC 527a_100000102301_100000696528 [0,1,0,0,0,0|2,0,1]=4 588 B12R0.47 C#CCCCNC(=O)NCC#CC 2708a_100000718082_100000685387 [0,1,0,0,0,0|2,0,1]=4 589 B12R0.47 C#CCCCNC(=O)NCC#CC 273464a_100000685387_100000718082 [0,1,0,0,0,0|2,0,1]=4 590 B12R0.47 C#CCCCNC(=O)NCC#CC 273464a_100000718082_100000685387 [0,1,0,0,0,0|2,0,1]=4 591 B12R0.47 C#CCCCNC(=O)NCC#CC 512a_100000685387_100000718082 [0,1,0,0,0,0|2,0,1]=4 592 B12R0.47 C#CCCCNC(=O)NCC#CC 512a_100000718082_100000685387 [0,1,0,0,0,0|2,0,1]=4 593 B12R0.47 C#CCCCNC(=O)NCCCC 2708a_100000102301_100000718082 [0,1,0,0,0,0|2,0,1]=4 594 B12R0.47 C#CCCCNC(=O)NCCCC 2708a_100000718082_100000102301 [0,1,0,0,0,0|2,0,1]=4 595 B12R0.47 C#CCCCNC(=O)NCCCC 273464a_100000102301_100000718082 [0,1,0,0,0,0|2,0,1]=4 596 B12R0.47 C#CCCCNC(=O)NCCCC 273464a_100000718082_100000102301 [0,1,0,0,0,0|2,0,1]=4 597 B12R0.47 C#CCCCNC(=O)NCCCC 512a_100000102301_100000718082 [0,1,0,0,0,0|2,0,1]=4 598 B12R0.47 C#CCCCNC(=O)NCCCC 512a_100000718082_100000102301 [0,1,0,0,0,0|2,0,1]=4 599 B12R0.47 C#CCCNC(=O)NCCCCC 2708a_100000209983_100000755551 [0,1,0,0,0,0|2,0,1]=4 600 B12R0.47 C#CCCNC(=O)NCCCCC 2708a_100000755551_100000209983 [0,1,0,0,0,0|2,0,1]=4 601 B12R0.47 C#CCCNC(=O)NCCCCC 273464a_100000209983_100000755551 [0,1,0,0,0,0|2,0,1]=4 602 B12R0.47 C#CCCNC(=O)NCCCCC 273464a_100000755551_100000209983 [0,1,0,0,0,0|2,0,1]=4 603 B12R0.47 C#CCCNC(=O)NCCCCC 512a_100000209983_100000755551 [0,1,0,0,0,0|2,0,1]=4 604 B12R0.47 C#CCCNC(=O)NCCCCC 512a_100000755551_100000209983 [0,1,0,0,0,0|2,0,1]=4 605 B12R0.47 C#CCCNC(=O)NCCCCO 2708a_100000750430_100000755551 [0,1,0,0,0,0|2,0,1]=4 606 B12R0.47 C#CCCNC(=O)NCCCCO 2708a_100000755551_100000750430 [0,1,0,0,0,0|2,0,1]=4 607 B12R0.47 C#CCCNC(=O)NCCCCO 273464a_100000750430_100000755551 [0,1,0,0,0,0|2,0,1]=4 608 B12R0.47 C#CCCNC(=O)NCCCCO 273464a_100000755551_100000750430 [0,1,0,0,0,0|2,0,1]=4 609 B12R0.47 C#CCCNC(=O)NCCCCO 512a_100000750430_100000755551 [0,1,0,0,0,0|2,0,1]=4 610 B12R0.47 C#CCCNC(=O)NCCCCO 512a_100000755551_100000750430 [0,1,0,0,0,0|2,0,1]=4 611 B12R0.47 C#CCCNC(=O)NCCCOC 2708a_100000755551_100150723488 [0,1,0,0,0,0|2,0,1]=4 612 B12R0.47 C#CCCNC(=O)NCCCOC 2708a_100150723488_100000755551 [0,1,0,0,0,0|2,0,1]=4 613 B12R0.47 C#CCCNC(=O)NCCCOC 273464a_100000755551_100150723488 [0,1,0,0,0,0|2,0,1]=4 614 B12R0.47 C#CCCNC(=O)NCCCOC 273464a_100150723488_100000755551 [0,1,0,0,0,0|2,0,1]=4 615 B12R0.47 C#CCCNC(=O)NCCCOC 512a_100000755551_100150723488 [0,1,0,0,0,0|2,0,1]=4 616 B12R0.47 C#CCCNC(=O)NCCCSC 2708a_100000749238_100000755551 [0,1,0,0,0,0|2,0,1]=4 617 B12R0.47 C#CCCNC(=O)NCCCSC 2708a_100000755551_100000749238 [0,1,0,0,0,0|2,0,1]=4 618 B12R0.47 C#CCCNC(=O)NCCCSC 273464a_100000749238_100000755551 [0,1,0,0,0,0|2,0,1]=4 619 B12R0.47 C#CCCNC(=O)NCCCSC 273464a_100000755551_100000749238 [0,1,0,0,0,0|2,0,1]=4 620 B12R0.47 C#CCCNC(=O)NCCCSC 512a_100000749238_100000755551 [0,1,0,0,0,0|2,0,1]=4 621 B12R0.47 C#CCCNC(=O)NCCCSC 512a_100000755551_100000749238 [0,1,0,0,0,0|2,0,1]=4 622 B12R0.47 C#CCCNC(=O)NCCOCC 2708a_100000755551_100011200944 [0,1,0,0,0,0|2,0,1]=4 623 B12R0.47 C#CCCNC(=O)NCCOCC 2708a_100011200944_100000755551 [0,1,0,0,0,0|2,0,1]=4 624 B12R0.47 C#CCCNC(=O)NCCOCC 273464a_100000755551_102516460346 [0,1,0,0,0,0|2,0,1]=4 625 B12R0.47 C#CCCNC(=O)NCCOCC 273464a_102516460346_100000755551 [0,1,0,0,0,0|2,0,1]=4 626 B12R0.47 C#CCCNC(=O)NCCOCC 512a_100000755551_100011200944 [0,1,0,0,0,0|2,0,1]=4 627 B12R0.47 C#CCCNC(=O)NCCOCC 512a_100011200944_100000755551 [0,1,0,0,0,0|2,0,1]=4 628 B12R0.47 C#CCCNC(=O)NCCSCC 2708a_100000106463_100000755551 [0,1,0,0,0,0|2,0,1]=4 629 B12R0.47 C#CCCNC(=O)NCCSCC 2708a_100000755551_100000106463 [0,1,0,0,0,0|2,0,1]=4 630 B12R0.47 C#CCCNC(=O)NCCSCC 273464a_100000106463_100000755551 [0,1,0,0,0,0|2,0,1]=4 631 B12R0.47 C#CCCNC(=O)NCCSCC 273464a_100000755551_100000106463 [0,1,0,0,0,0|2,0,1]=4 632 B12R0.47 C#CCCNC(=O)NCCSCC 512a_100000106463_100000755551 [0,1,0,0,0,0|2,0,1]=4 633 B12R0.47 C#CCCNC(=O)NCCSCC 512a_100000755551_100000106463 [0,1,0,0,0,0|2,0,1]=4 634 B12R0.47 C#CCCNC(=O)NNCCCC 273464a_100000755551_100025702795 [0,1,0,0,0,0|2,0,1]=4 635 B12R0.47 C#CCCNC(=O)NNCCCC 512a_100000755551_100025702795 [0,1,0,0,0,0|2,0,1]=4 636 B12R0.47 C#CCCNC(=O)NNCCCC 512a_100025702795_100000755551 [0,1,0,0,0,0|2,0,1]=4 637 B12R0.47 C#CCCNCC(=O)NCCCC 34a_100000755551_100000182744 [0,1,0,0,0,0|2,0,1]=4 638 B12R0.47 C#CCCOCC(=O)CCCCC 34a_100011215631_200012276598 [0,1,0,0,0,0|2,0,1]=4 639 B12R0.47 C#CCCOCC(=O)NCCCC 34a_100011215631_100000182744 [0,1,0,0,0,0|1,0,1]=3 640 B12R0.47 C#CCCOCC(=O)NCCOC 34a_100011215631_100000183275 [0,1,0,0,0,0|2,0,1]=4 641 B12R0.47 C#CCCOCC(=O)OCCCC 34a_100011215631_100000211628 [0,1,0,0,0,0|2,0,1]=4 642 B12R0.47 C#CCCSCC(=O)NCCCC 62a_100000182744_100000688953 [0,1,0,0,0,0|1,1,1]=4 643 B12R0.47 C#CCCSCC(=O)NCCCC 62a_100000688953_100000182744 [0,1,0,0,0,0|1,1,1]=4 644 B12R0.47 C#CCOCCC(=O)NCCCC 11a_100000102301_100000693358 [0,1,0,0,0,0|2,0,1]=4 645 B12R0.47 C#CCOCCC(=O)NCCCC 1626a_100000102301_100000693358 [0,1,0,0,0,0|2,0,1]=4 646 B12R0.47 C#CCOCCC(=O)NCCCC 240690a_100000102301_100000693358 [0,1,0,0,0,0|2,0,1]=4 647 B12R0.47 C#CCOCCC(=O)NCCCC 527a_100000102301_100000693358 [0,1,0,0,0,0|2,0,1]=4 648 B12R0.47 C/C=C/COCC(=O)NCCCC 34a_100016270725_100000182744 [0,1,0,0,0,0|1,0,2]=4 649 B12R0.47 C=CCCCNC(=O)NCC#CC 2708a_100000700776_100000685387 [0,1,0,0,0,0|2,0,1]=4 650 B12R0.47 C=CCCCNC(=O)NCC#CC 273464a_100000685387_100000700776 [0,1,0,0,0,0|2,0,1]=4 651 B12R0.47 C=CCCCNC(=O)NCC#CC 273464a_100000700776_100000685387 [0,1,0,0,0,0|2,0,1]=4 652 B12R0.47 C=CCCCNC(=O)NCC#CC 512a_100000685387_100000700776 [0,1,0,0,0,0|2,0,1]=4 653 B12R0.47 C=CCCCNC(=O)NCC#CC 512a_100000700776_100000685387 [0,1,0,0,0,0|2,0,1]=4 654 B12R0.47 C=CCCOCC(=O)NCCCC 34a_100011205117_100000182744 [0,1,0,0,0,0|1,0,2]=4 655 B12R0.47 CC#CCNC(=O)C=CCCCC 11a_100000685387_100016266645 [0,1,0,0,0,0|3,0,0]=4 656 B12R0.47 CC#CCNC(=O)C=CCCCC 1626a_100000685387_100016266645 [0,1,0,0,0,0|3,0,0]=4 657 B12R0.47 CC#CCNC(=O)CCCCCC 11a_100000685387_100102632555 [0,1,0,0,0,0|3,0,0]=4 658 B12R0.47 CC#CCNC(=O)CCCCCC 1626a_100000685387_100102632555 [0,1,0,0,0,0|3,0,0]=4 659 B12R0.47 CC#CCNC(=O)CCCCCC 527a_100000685387_100102632555 [0,1,0,0,0,0|3,0,0]=4 660 B12R0.47 CC#CCNC(=O)COCCCC 11a_100000685387_100000757543 [0,1,0,0,0,0|3,0,0]=4 661 B12R0.47 CC#CCNC(=O)COCCCC 1626a_100000685387_100000757543 [0,1,0,0,0,0|3,0,0]=4 662 B12R0.47 CC#CCNC(=O)COCCCC 527a_100000685387_100000757543 [0,1,0,0,0,0|3,0,0]=4 663 B12R0.47 CC#CCNC(=O)CSCCCC 11a_100000685387_100000191162 [0,1,0,0,0,0|3,0,0]=4 664 B12R0.47 CC#CCNC(=O)CSCCCC 1626a_100000685387_100000191162 [0,1,0,0,0,0|3,0,0]=4 665 B12R0.47 CC#CCNC(=O)CSCCCC 527a_100000685387_100000191162 [0,1,0,0,0,0|3,0,0]=4 666 B12R0.47 CC#CCNC(=O)NCCCCC 2708a_100000209983_100000685387 [0,1,0,0,0,0|2,0,0]=3 667 B12R0.47 CC#CCNC(=O)NCCCCC 273464a_100000209983_100000685387 [0,1,0,0,0,0|2,0,0]=3 668 B12R0.47 CC#CCNC(=O)NCCCCC 273464a_100000685387_100000209983 [0,1,0,0,0,0|2,0,0]=3 669 B12R0.47 CC#CCNC(=O)NCCCCC 512a_100000209983_100000685387 [0,1,0,0,0,0|2,0,0]=3 670 B12R0.47 CC#CCNC(=O)NCCCCC 512a_100000685387_100000209983 [0,1,0,0,0,0|2,0,0]=3 671 B12R0.47 CC#CCNC(=O)NCCCCO 2708a_100000750430_100000685387 [0,1,0,0,0,0|2,0,0]=3 672 B12R0.47 CC#CCNC(=O)NCCCCO 273464a_100000685387_100000750430 [0,1,0,0,0,0|2,0,0]=3 673 B12R0.47 CC#CCNC(=O)NCCCCO 273464a_100000750430_100000685387 [0,1,0,0,0,0|2,0,0]=3 674 B12R0.47 CC#CCNC(=O)NCCCCO 512a_100000685387_100000750430 [0,1,0,0,0,0|2,0,0]=3 675 B12R0.47 CC#CCNC(=O)NCCCCO 512a_100000750430_100000685387 [0,1,0,0,0,0|2,0,0]=3 676 B12R0.47 CC#CCNC(=O)NCCCOC 2708a_100150723488_100000685387 [0,1,0,0,0,0|2,0,0]=3 677 B12R0.47 CC#CCNC(=O)NCCCOC 273464a_100000685387_100150723488 [0,1,0,0,0,0|2,0,0]=3 678 B12R0.47 CC#CCNC(=O)NCCCOC 273464a_100150723488_100000685387 [0,1,0,0,0,0|2,0,0]=3 679 B12R0.47 CC#CCNC(=O)NCCCOC 512a_100000685387_100150723488 [0,1,0,0,0,0|2,0,0]=3 680 B12R0.47 CC#CCNC(=O)NCCCSC 2708a_100000749238_100000685387 [0,1,0,0,0,0|2,0,0]=3 681 B12R0.47 CC#CCNC(=O)NCCCSC 273464a_100000685387_100000749238 [0,1,0,0,0,0|2,0,0]=3 682 B12R0.47 CC#CCNC(=O)NCCCSC 273464a_100000749238_100000685387 [0,1,0,0,0,0|2,0,0]=3 683 B12R0.47 CC#CCNC(=O)NCCCSC 512a_100000685387_100000749238 [0,1,0,0,0,0|2,0,0]=3 684 B12R0.47 CC#CCNC(=O)NCCCSC 512a_100000749238_100000685387 [0,1,0,0,0,0|2,0,0]=3 685 B12R0.47 CC#CCNC(=O)NCCOCC 2708a_100011200944_100000685387 [0,1,0,0,0,0|2,0,0]=3 686 B12R0.47 CC#CCNC(=O)NCCOCC 273464a_100000685387_102516460346 [0,1,0,0,0,0|2,0,0]=3 687 B12R0.47 CC#CCNC(=O)NCCOCC 273464a_102516460346_100000685387 [0,1,0,0,0,0|2,0,0]=3 688 B12R0.47 CC#CCNC(=O)NCCOCC 512a_100000685387_100011200944 [0,1,0,0,0,0|2,0,0]=3 689 B12R0.47 CC#CCNC(=O)NCCOCC 512a_100011200944_100000685387 [0,1,0,0,0,0|2,0,0]=3 690 B12R0.47 CC#CCNC(=O)NCCSCC 2708a_100000106463_100000685387 [0,1,0,0,0,0|2,0,0]=3 691 B12R0.47 CC#CCNC(=O)NCCSCC 273464a_100000106463_100000685387 [0,1,0,0,0,0|2,0,0]=3 692 B12R0.47 CC#CCNC(=O)NCCSCC 273464a_100000685387_100000106463 [0,1,0,0,0,0|2,0,0]=3 693 B12R0.47 CC#CCNC(=O)NCCSCC 512a_100000106463_100000685387 [0,1,0,0,0,0|2,0,0]=3 694 B12R0.47 CC#CCNC(=O)NCCSCC 512a_100000685387_100000106463 [0,1,0,0,0,0|2,0,0]=3 695 B12R0.47 CC#CCNC(=O)NNCCCC 273464a_100000685387_100025702795 [0,1,0,0,0,0|2,0,0]=3 696 B12R0.47 CC#CCNC(=O)NNCCCC 512a_100000685387_100025702795 [0,1,0,0,0,0|2,0,0]=3 697 B12R0.47 CC#CCNC(=O)NNCCCC 512a_100025702795_100000685387 [0,1,0,0,0,0|2,0,0]=3 698 B12R0.47 CC#CCNC(=O)NNCCOC 273464a_100000685387_100000741390 [0,1,0,0,0,0|3,0,0]=4 699 B12R0.47 CC#CCNCC(=O)CCCCC 2230a_100000685387_200012276598 [0,1,0,0,0,0|3,0,0]=4 700 B12R0.47 CC#CCNCC(=O)CCCCC 34a_100000685387_200012276598 [0,1,0,0,0,0|3,0,0]=4 701 B12R0.47 CC#CCNCC(=O)NCCCC 2230a_100000685387_100000182744 [0,1,0,0,0,0|2,0,0]=3 702 B12R0.47 CC#CCNCC(=O)NCCCC 34a_100000685387_100000182744 [0,1,0,0,0,0|2,0,0]=3 703 B12R0.47 CC#CCNCC(=O)NCCOC 2230a_100000685387_100000183275 [0,1,0,0,0,0|3,0,0]=4 704 B12R0.47 CC#CCNCC(=O)NCCOC 2230a_100000754632_100000748600 [0,1,0,0,0,0|3,0,0]=4 705 B12R0.47 CC#CCNCC(=O)NCCOC 34a_100000685387_100000183275 [0,1,0,0,0,0|3,0,0]=4 706 B12R0.47 CC#CCNCC(=O)OCCCC 2230a_100000685387_100000211628 [0,1,0,0,0,0|3,0,0]=4 707 B12R0.47 CC#CCNCC(=O)OCCCC 34a_100000685387_100000211628 [0,1,0,0,0,0|3,0,0]=4 708 B12R0.47 CC#CCOCC(=O)CCCCC 34a_100000761923_200012276598 [0,1,0,0,0,0|2,0,0]=3 709 B12R0.47 CC#CCOCC(=O)NCCCC 34a_100000761923_100000182744 [0,1,0,0,0,0|1,0,0]=2 710 B12R0.47 CC#CCOCC(=O)NCCOC 34a_100000761923_100000183275 [0,1,0,0,0,0|2,0,0]=3 711 B12R0.47 CC#CCOCC(=O)OCCCC 34a_100000761923_100000211628 [0,1,0,0,0,0|2,0,0]=3 712 B12R0.47 CC#CCOCC(=O)OCCOC 34a_100000761923_200000040189 [0,1,0,0,0,0|3,0,0]=4 713 B12R0.47 CC#CCSCC(=O)CCCCC 62a_100000748600_200012276598 [0,1,0,0,0,0|2,1,0]=4 714 B12R0.47 CC#CCSCC(=O)CCCCC 62a_200012276598_100000748600 [0,1,0,0,0,0|2,1,0]=4 715 B12R0.47 CC#CCSCC(=O)NCCCC 62a_100000182744_100000748600 [0,1,0,0,0,0|1,1,0]=3 716 B12R0.47 CC#CCSCC(=O)NCCCC 62a_100000748600_100000182744 [0,1,0,0,0,0|1,1,0]=3 717 B12R0.47 CC#CCSCC(=O)NCCOC 62a_100000183275_100000748600 [0,1,0,0,0,0|2,1,0]=4 718 B12R0.47 CC#CCSCC(=O)NCCOC 62a_100000748600_100000183275 [0,1,0,0,0,0|2,1,0]=4 719 B12R0.47 CC#CCSCC(=O)OCCCC 62a_100000211628_100000748600 [0,1,0,0,0,0|2,1,0]=4 720 B12R0.47 CC#CCSCC(=O)OCCCC 62a_100000748600_100000211628 [0,1,0,0,0,0|2,1,0]=4 721 B12R0.47 CCCCCNC(=O)CCCC#N 11a_100000209983_100000075515 [0,1,0,0,0,0|2,0,1]=4 722 B12R0.47 CCCCCNC(=O)CCCC#N 1626a_100000209983_100000075515 [0,1,0,0,0,0|2,0,1]=4 723 B12R0.47 CCCCCNC(=O)CCCC#N 240690a_100000209983_100000075515 [0,1,0,0,0,0|2,0,1]=4 724 B12R0.47 CCCCCNC(=O)CCCC#N 527a_100000209983_100000075515 [0,1,0,0,0,0|2,0,1]=4 725 B12R0.47 CCCCCNC(=O)NCCC#N 2708a_100000209983_100000720768 [0,1,0,0,0,0|2,0,1]=4 726 B12R0.47 CCCCCNC(=O)NCCC#N 2708a_100000720768_100000209983 [0,1,0,0,0,0|2,0,1]=4 727 B12R0.47 CCCCCNC(=O)NCCC#N 273464a_100000209983_100000720768 [0,1,0,0,0,0|2,0,1]=4 728 B12R0.47 CCCCCNC(=O)NCCC#N 273464a_100000720768_100000209983 [0,1,0,0,0,0|2,0,1]=4 729 B12R0.47 CCCCCNC(=O)NCCC#N 512a_100000209983_100000720768 [0,1,0,0,0,0|2,0,1]=4 730 B12R0.47 CCCCCNC(=O)NCCC#N 512a_100000720768_100000209983 [0,1,0,0,0,0|2,0,1]=4 731 B12R0.47 CCCCNC(=O)COCCCBr 34a_100011217188_100000182744 [0,1,0,0,0,0|0,1,2]=4 732 B12R0.47 CCCCNC(=O)COCCCC 11a_100000102301_100000757543 [0,1,0,0,0,0|1,0,2]=4 733 B12R0.47 CCCCNC(=O)COCCCC 1626a_100000102301_100000757543 [0,1,0,0,0,0|1,0,2]=4 734 B12R0.47 CCCCNC(=O)COCCCC 240690a_100000102301_100000757543 [0,1,0,0,0,0|1,0,2]=4 735 B12R0.47 CCCCNC(=O)COCCCC 34a_100000210227_100000182744 [0,1,0,0,0,0|1,0,2]=4 736 B12R0.47 CCCCNC(=O)COCCCC 527a_100000102301_100000757543 [0,1,0,0,0,0|1,0,2]=4 737 B12R0.47 CCCCNC(=O)COCCCC 7a_100000210227_100000182744 [0,1,0,0,0,0|1,0,2]=4 738 B12R0.47 CCCCNC(=O)COCCCCl 34a_100000230001_100000182744 [0,1,0,0,0,0|0,1,2]=4 739 B12R0.47 CCCCNC(=O)COCCCF 34a_100000759539_100000182744 [0,1,0,0,0,0|0,1,2]=4 740 B12R0.47 CCCCNC(=O)COCCCN 34a_100000182051_100000182744 [0,1,0,0,0,0|1,0,2]=4 741 B12R0.47 CCCCNC(=O)COCCOC 11a_100000102301_100000211095 [0,1,0,0,0,0|2,0,1]=4 742 B12R0.47 CCCCNC(=O)COCCOC 1626a_100000102301_100000211095 [0,1,0,0,0,0|2,0,1]=4 743 B12R0.47 CCCCNC(=O)COCCOC 240690a_100000102301_100000211095 [0,1,0,0,0,0|2,0,1]=4 744 B12R0.47 CCCCNC(=O)COCCOC 34a_100000210237_100000182744 [0,1,0,0,0,0|2,0,1]=4 745 B12R0.47 CCCCNC(=O)COCCOC 527a_100000102301_100000211095 [0,1,0,0,0,0|2,0,1]=4 746 B12R0.47 CCCCNC(=O)COCCON 34a_100000700252_100000182744 [0,1,0,0,0,0|2,0,1]=4 747 B12R0.47 CCCCNC(=O)COCCSC 34a_100000230434_100000182744 [0,1,0,0,0,0|2,0,1]=4 748 B12R0.47 CCCCNC(=O)COCCSC 7a_100000230434_100000182744 [0,1,0,0,0,0|2,0,1]=4 749 B12R0.47 CCCCNC(=O)CSCCC#N 62a_100000182744_100011215226 [0,1,0,0,0,0|1,1,1]=4 750 B12R0.47 CCCCNC(=O)CSCCC#N 62a_100011215226_100000182744 [0,1,0,0,0,0|1,1,1]=4 751 B12R0.47 CCCCNC(=O)CSCSC#N 62a_100000182744_100000211825 [0,1,0,0,0,0|2,1,0]=4 752 B12R0.47 CCCCNC(=O)CSCSC#N 62a_100000211825_100000182744 [0,1,0,0,0,0|2,1,0]=4 753 B12R0.47 CCCCNC(=O)NNCCC#N 273464a_100000102301_100000229987 [0,1,0,0,0,0|2,0,1]=4 754 B12R0.47 CCCCNC(=O)NNCCC#N 512a_100000102301_100000229987 [0,1,0,0,0,0|2,0,1]=4 755 B12R0.47 CCCCNC(=O)NNCCC#N 512a_100000229987_100000102301 [0,1,0,0,0,0|2,0,1]=4 756 B12R0.47 CCCCNCC(=O)OCCCC 2230a_100000102301_100000211628 [0,1,0,0,0,0|1,0,2]=4 757 B12R0.47 CCCCNCC(=O)OCCCC 7a_106832991798_100000211628 [0,1,0,0,0,0|1,0,2]=4 758 B12R0.47 CCCCNCC(=O)OCCOC 2230a_100000102301_200000040189 [0,1,0,0,0,0|2,0,1]=4 759 B12R0.47 CCCCNCC(=O)OCCOC 7a_106832991798_200000040189 [0,1,0,0,0,0|2,0,1]=4 760 B12R0.47 CCCCNNC(=O)CCCC#N 22a_100025702795_100000075515 [0,1,0,0,0,0|2,0,1]=4 761 B12R0.47 CCCCNNC(=O)NCCC#N 273464a_100000720768_100025702795 [0,1,0,0,0,0|2,0,1]=4 762 B12R0.47 CCCCNNC(=O)NCCC#N 512a_100000720768_100025702795 [0,1,0,0,0,0|2,0,1]=4 763 B12R0.47 CCCCNNC(=O)NCCC#N 512a_100025702795_100000720768 [0,1,0,0,0,0|2,0,1]=4 764 B12R0.47 CCOCCNC(=O)CCCC#N 11a_100011200944_100000075515 [0,1,0,0,0,0|2,0,1]=4 765 B12R0.47 CCOCCNC(=O)CCCC#N 1626a_102516460346_100000075515 [0,1,0,0,0,0|2,0,1]=4 766 B12R0.47 CCOCCNC(=O)CCCC#N 240690a_100011200944_100000075515 [0,1,0,0,0,0|2,0,1]=4 767 B12R0.47 CCOCCNC(=O)CCCC#N 527a_100011200944_100000075515 [0,1,0,0,0,0|2,0,1]=4 768 B12R0.47 CCOCCNC(=O)NCCC#N 2708a_100000720768_100011200944 [0,1,0,0,0,0|2,0,1]=4 769 B12R0.47 CCOCCNC(=O)NCCC#N 2708a_100011200944_100000720768 [0,1,0,0,0,0|2,0,1]=4 770 B12R0.47 CCOCCNC(=O)NCCC#N 273464a_100000720768_102516460346 [0,1,0,0,0,0|2,0,1]=4 771 B12R0.47 CCOCCNC(=O)NCCC#N 273464a_102516460346_100000720768 [0,1,0,0,0,0|2,0,1]=4 772 B12R0.47 CCOCCNC(=O)NCCC#N 512a_100000720768_100011200944 [0,1,0,0,0,0|2,0,1]=4 773 B12R0.47 CCOCCNC(=O)NCCC#N 512a_100011200944_100000720768 [0,1,0,0,0,0|2,0,1]=4 774 B12R0.47 CCSCCNC(=O)CCCC#N 11a_100000106463_100000075515 [0,1,0,0,0,0|2,0,1]=4 775 B12R0.47 CCSCCNC(=O)CCCC#N 1626a_100000106463_100000075515 [0,1,0,0,0,0|2,0,1]=4 776 B12R0.47 CCSCCNC(=O)CCCC#N 240690a_100000106463_100000075515 [0,1,0,0,0,0|2,0,1]=4 777 B12R0.47 CCSCCNC(=O)CCCC#N 527a_100000106463_100000075515 [0,1,0,0,0,0|2,0,1]=4 778 B12R0.47 CCSCCNC(=O)NCCC#N 2708a_100000106463_100000720768 [0,1,0,0,0,0|2,0,1]=4 779 B12R0.47 CCSCCNC(=O)NCCC#N 2708a_100000720768_100000106463 [0,1,0,0,0,0|2,0,1]=4 780 B12R0.47 CCSCCNC(=O)NCCC#N 273464a_100000106463_100000720768 [0,1,0,0,0,0|2,0,1]=4 781 B12R0.47 CCSCCNC(=O)NCCC#N 273464a_100000720768_100000106463 [0,1,0,0,0,0|2,0,1]=4 782 B12R0.47 CCSCCNC(=O)NCCC#N 512a_100000106463_100000720768 [0,1,0,0,0,0|2,0,1]=4 783 B12R0.47 CCSCCNC(=O)NCCC#N 512a_100000720768_100000106463 [0,1,0,0,0,0|2,0,1]=4 784 B12R0.47 COCCCNC(=O)CCCC#N 1626a_100150723488_100000075515 [0,1,0,0,0,0|2,0,1]=4 785 B12R0.47 COCCCNC(=O)CCCC#N 240690a_100150723488_100000075515 [0,1,0,0,0,0|2,0,1]=4 786 B12R0.47 COCCCNC(=O)CCCC#N 527a_100150723488_100000075515 [0,1,0,0,0,0|2,0,1]=4 787 B12R0.47 COCCCNC(=O)NCCC#N 2708a_100000720768_100150723488 [0,1,0,0,0,0|2,0,1]=4 788 B12R0.47 COCCCNC(=O)NCCC#N 2708a_100150723488_100000720768 [0,1,0,0,0,0|2,0,1]=4 789 B12R0.47 COCCCNC(=O)NCCC#N 273464a_100000720768_100150723488 [0,1,0,0,0,0|2,0,1]=4 790 B12R0.47 COCCCNC(=O)NCCC#N 273464a_100150723488_100000720768 [0,1,0,0,0,0|2,0,1]=4 791 B12R0.47 COCCCNC(=O)NCCC#N 512a_100000720768_100150723488 [0,1,0,0,0,0|2,0,1]=4 792 B12R0.47 CSCCCNC(=O)CCCC#N 11a_100000749238_100000075515 [0,1,0,0,0,0|2,0,1]=4 793 B12R0.47 CSCCCNC(=O)CCCC#N 1626a_100000749238_100000075515 [0,1,0,0,0,0|2,0,1]=4 794 B12R0.47 CSCCCNC(=O)CCCC#N 240690a_100000749238_100000075515 [0,1,0,0,0,0|2,0,1]=4 795 B12R0.47 CSCCCNC(=O)CCCC#N 527a_100000749238_100000075515 [0,1,0,0,0,0|2,0,1]=4 796 B12R0.47 CSCCCNC(=O)NCCC#N 2708a_100000720768_100000749238 [0,1,0,0,0,0|2,0,1]=4 797 B12R0.47 CSCCCNC(=O)NCCC#N 2708a_100000749238_100000720768 [0,1,0,0,0,0|2,0,1]=4 798 B12R0.47 CSCCCNC(=O)NCCC#N 273464a_100000720768_100000749238 [0,1,0,0,0,0|2,0,1]=4 799 B12R0.47 CSCCCNC(=O)NCCC#N 273464a_100000749238_100000720768 [0,1,0,0,0,0|2,0,1]=4 800 B12R0.47 CSCCCNC(=O)NCCC#N 512a_100000720768_100000749238 [0,1,0,0,0,0|2,0,1]=4 801 B12R0.47 CSCCCNC(=O)NCCC#N 512a_100000749238_100000720768 [0,1,0,0,0,0|2,0,1]=4 802 B12R0.47 N#CCCCC(=O)NCCCCO 240690a_100000750430_100000075515 [0,1,0,0,0,0|2,0,1]=4 803 B12R0.47 N#CCCCC(=O)NCCCCO 527a_100000750430_100000075515 [0,1,0,0,0,0|2,0,1]=4 804 B12R0.47 N#CCCNC(=O)NCCCCO 2708a_100000720768_100000750430 [0,1,0,0,0,0|2,0,1]=4 805 B12R0.47 N#CCCNC(=O)NCCCCO 2708a_100000750430_100000720768 [0,1,0,0,0,0|2,0,1]=4 806 B12R0.47 N#CCCNC(=O)NCCCCO 273464a_100000720768_100000750430 [0,1,0,0,0,0|2,0,1]=4 807 B12R0.47 N#CCCNC(=O)NCCCCO 273464a_100000750430_100000720768 [0,1,0,0,0,0|2,0,1]=4 808 B12R0.47 N#CCCNC(=O)NCCCCO 512a_100000720768_100000750430 [0,1,0,0,0,0|2,0,1]=4 809 B12R0.47 N#CCCNC(=O)NCCCCO 512a_100000750430_100000720768 [0,1,0,0,0,0|2,0,1]=4 810 B12R0.142 C#CCCCC(=O)NCC(C)CC 11a_100020588543_100000690238 [0,1,0,0,0,0|2,0,1]=4 811 B12R0.142 C#CCCCC(=O)NCC(C)CC 1626a_100020588543_100000690238 [0,1,0,0,0,0|2,0,1]=4 812 B12R0.142 C#CCCCC(=O)NCC(C)CC 240690a_100020588543_100000690238 [0,1,0,0,0,0|2,0,1]=4 813 B12R0.142 C#CCCCC(=O)NCC(C)CC 527a_100020588543_100000690238 [0,1,0,0,0,0|2,0,1]=4 814 B12R0.142 C#CCCCC(=O)NCC(O)CC 11a_100011218483_100000690238 [0,1,0,0,0,0|2,0,1]=4 815 B12R0.142 C#CCCCC(=O)NCC(O)CC 240690a_100011218483_100000690238 [0,1,0,0,0,0|2,0,1]=4 816 B12R0.142 C#CCCCC(=O)NCC(O)CC 527a_100011218483_100000690238 [0,1,0,0,0,0|2,0,1]=4 817 B12R0.142 C#CCCNC(=O)NCC(C)CC 2708a_100000755551_100020588543 [0,1,0,0,0,0|2,0,1]=4 818 B12R0.142 C#CCCNC(=O)NCC(C)CC 2708a_100020588543_100000755551 [0,1,0,0,0,0|2,0,1]=4 819 B12R0.142 C#CCCNC(=O)NCC(C)CC 273464a_100000755551_100020588543 [0,1,0,0,0,0|2,0,1]=4 820 B12R0.142 C#CCCNC(=O)NCC(C)CC 273464a_100020588543_100000755551 [0,1,0,0,0,0|2,0,1]=4 821 B12R0.142 C#CCCNC(=O)NCC(C)CC 512a_100000755551_100020588543 [0,1,0,0,0,0|2,0,1]=4 822 B12R0.142 C#CCCNC(=O)NCC(C)CC 512a_100020588543_100000755551 [0,1,0,0,0,0|2,0,1]=4 823 B12R0.142 C#CCCNC(=O)NCC(O)CC 2708a_100000755551_100011218483 [0,1,0,0,0,0|2,0,1]=4 824 B12R0.142 C#CCCNC(=O)NCC(O)CC 273464a_100000755551_100011218483 [0,1,0,0,0,0|2,0,1]=4 825 B12R0.142 C#CCCNC(=O)NCC(O)CC 273464a_100011218483_100000755551 [0,1,0,0,0,0|2,0,1]=4 826 B12R0.142 C#CCCNC(=O)NCC(O)CC 512a_100011218483_100000755551 [0,1,0,0,0,0|2,0,1]=4 827 B12R0.142 CC#CCNC(=O)CCC(C)CC 11a_100000685387_100000701222 [0,1,0,0,0,0|3,0,0]=4 828 B12R0.142 CC#CCNC(=O)CCC(C)CC 1626a_100000685387_100000701222 [0,1,0,0,0,0|3,0,0]=4 829 B12R0.142 CC#CCNC(=O)CCC(C)CC 527a_100000685387_100000701222 [0,1,0,0,0,0|3,0,0]=4 830 B12R0.142 CC#CCNC(=O)CCC(O)CC 1626a_100000685387_203496584001 [0,1,0,0,0,0|3,0,0]=4 831 B12R0.142 CC#CCNC(=O)NCC(C)CC 2708a_100020588543_100000685387 [0,1,0,0,0,0|2,0,0]=3 832 B12R0.142 CC#CCNC(=O)NCC(C)CC 273464a_100000685387_100020588543 [0,1,0,0,0,0|2,0,0]=3 833 B12R0.142 CC#CCNC(=O)NCC(C)CC 273464a_100020588543_100000685387 [0,1,0,0,0,0|2,0,0]=3 834 B12R0.142 CC#CCNC(=O)NCC(C)CC 512a_100000685387_100020588543 [0,1,0,0,0,0|2,0,0]=3 835 B12R0.142 CC#CCNC(=O)NCC(C)CC 512a_100020588543_100000685387 [0,1,0,0,0,0|2,0,0]=3 836 B12R0.142 CC#CCNC(=O)NCC(C)CO 273464a_100000685387_100000744482 [0,1,0,0,0,0|3,0,0]=4 837 B12R0.142 CC#CCNC(=O)NCC(C)CO 273464a_100000744482_100000685387 [0,1,0,0,0,0|3,0,0]=4 838 B12R0.142 CC#CCNC(=O)NCC(C)CO 512a_100000685387_100000744482 [0,1,0,0,0,0|3,0,0]=4 839 B12R0.142 CC#CCNC(=O)NCC(C)CO 512a_100000744482_100000685387 [0,1,0,0,0,0|3,0,0]=4 840 B12R0.142 CC#CCNC(=O)NCC(O)CC 273464a_100000685387_100011218483 [0,1,0,0,0,0|2,0,0]=3 841 B12R0.142 CC#CCNC(=O)NCC(O)CC 273464a_100011218483_100000685387 [0,1,0,0,0,0|2,0,0]=3 842 B12R0.142 CC#CCNC(=O)NCC(O)CC 512a_100011218483_100000685387 [0,1,0,0,0,0|2,0,0]=3 843 B12R0.142 CC#CCNC(=O)NC[C@@H](C)OC 2708a_100020591295_100000685387 [0,1,0,0,0,0|3,0,0]=4 844 B12R0.142 CC#CCNC(=O)NC[C@@H](C)OC 273464a_100000685387_100020591295 [0,1,0,0,0,0|3,0,0]=4 845 B12R0.142 CC#CCNC(=O)NC[C@@H](C)OC 273464a_100020591295_100000685387 [0,1,0,0,0,0|3,0,0]=4 846 B12R0.142 CC#CCNC(=O)NC[C@@H](C)OC 512a_100000685387_100020591295 [0,1,0,0,0,0|3,0,0]=4 847 B12R0.142 CC#CCNC(=O)NC[C@@H](C)OC 512a_100020591295_100000685387 [0,1,0,0,0,0|3,0,0]=4 848 B12R0.142 CC#CCNC(=O)NC[C@@H](F)CO 273464a_100000685387_100015665980 [0,1,0,0,0,0|3,0,0]=4 849 B12R0.142 CC#CCNC(=O)NC[C@@H](F)CO 273464a_100015665980_100000685387 [0,1,0,0,0,0|3,0,0]=4 850 B12R0.142 CC#CCNC(=O)NC[C@@H](F)CO 512a_100000685387_100015665980 [0,1,0,0,0,0|3,0,0]=4 851 B12R0.142 CC#CCNC(=O)NC[C@@H](F)CO 512a_100015665980_100000685387 [0,1,0,0,0,0|3,0,0]=4 852 B12R0.142 CC#CCNC(=O)NC[C@H](O)CO 273464a_100000685387_100020644852 [0,1,0,0,0,0|3,0,0]=4 853 B12R0.142 CC#CCNC(=O)NC[C@H](O)CO 273464a_100020644852_100000685387 [0,1,0,0,0,0|3,0,0]=4 854 B12R0.142 CC#CCNC(=O)NNC(C)CC 273464a_100000685387_100000718999 [0,1,0,0,0,0|3,0,0]=4 855 B12R0.142 CC#CCNC(=O)NNC(C)CC 512a_100000685387_100000718999 [0,1,0,0,0,0|3,0,0]=4 856 B12R0.142 CC#CCNC(=O)NNC(C)CC 512a_100000718999_100000685387 [0,1,0,0,0,0|3,0,0]=4 857 B12R0.142 CCC(C)CNC(=O)CCCC#N 11a_100020588543_100000075515 [0,1,0,0,0,0|2,0,1]=4 858 B12R0.142 CCC(C)CNC(=O)CCCC#N 1626a_100020588543_100000075515 [0,1,0,0,0,0|2,0,1]=4 859 B12R0.142 CCC(C)CNC(=O)CCCC#N 240690a_100020588543_100000075515 [0,1,0,0,0,0|2,0,1]=4 860 B12R0.142 CCC(C)CNC(=O)CCCC#N 527a_100020588543_100000075515 [0,1,0,0,0,0|2,0,1]=4 861 B12R0.142 CCC(C)CNC(=O)NCCC#N 2708a_100000720768_100020588543 [0,1,0,0,0,0|2,0,1]=4 862 B12R0.142 CCC(C)CNC(=O)NCCC#N 2708a_100020588543_100000720768 [0,1,0,0,0,0|2,0,1]=4 863 B12R0.142 CCC(C)CNC(=O)NCCC#N 273464a_100000720768_100020588543 [0,1,0,0,0,0|2,0,1]=4 864 B12R0.142 CCC(C)CNC(=O)NCCC#N 273464a_100020588543_100000720768 [0,1,0,0,0,0|2,0,1]=4 865 B12R0.142 CCC(C)CNC(=O)NCCC#N 512a_100000720768_100020588543 [0,1,0,0,0,0|2,0,1]=4 866 B12R0.142 CCC(C)CNC(=O)NCCC#N 512a_100020588543_100000720768 [0,1,0,0,0,0|2,0,1]=4 867 B12R0.142 CCC(O)CNC(=O)CCCC#N 11a_100011218483_100000075515 [0,1,0,0,0,0|2,0,1]=4 868 B12R0.142 CCC(O)CNC(=O)CCCC#N 240690a_100011218483_100000075515 [0,1,0,0,0,0|2,0,1]=4 869 B12R0.142 CCC(O)CNC(=O)CCCC#N 527a_100011218483_100000075515 [0,1,0,0,0,0|2,0,1]=4 870 B12R0.142 CCC(O)CNC(=O)NCCC#N 2708a_100000720768_100011218483 [0,1,0,0,0,0|2,0,1]=4 871 B12R0.142 CCC(O)CNC(=O)NCCC#N 273464a_100000720768_100011218483 [0,1,0,0,0,0|2,0,1]=4 872 B12R0.142 CCC(O)CNC(=O)NCCC#N 273464a_100011218483_100000720768 [0,1,0,0,0,0|2,0,1]=4 873 B12R0.142 CCC(O)CNC(=O)NCCC#N 512a_100011218483_100000720768 [0,1,0,0,0,0|2,0,1]=4 874 B12R0.233 C#CCCCC(=O)NCCC(C)C 11a_100000210545_100000690238 [0,1,0,0,0,0|2,0,1]=4 875 B12R0.233 C#CCCCC(=O)NCCC(C)C 1626a_100000210545_100000690238 [0,1,0,0,0,0|2,0,1]=4 876 B12R0.233 C#CCCCC(=O)NCCC(C)C 240690a_100000210545_100000690238 [0,1,0,0,0,0|2,0,1]=4 877 B12R0.233 C#CCCCC(=O)NCCC(C)C 527a_100000210545_100000690238 [0,1,0,0,0,0|2,0,1]=4 878 B12R0.233 C#CCCCC(=O)NCCC(C)O 240690a_200000755665_100000690238 [0,1,0,0,0,0|2,0,1]=4 879 B12R0.233 C#CCCCC(=O)NCCC(C)O 527a_200000755665_100000690238 [0,1,0,0,0,0|2,0,1]=4 880 B12R0.233 C#CCCNC(=O)NCCC(C)C 2708a_100000210545_100000755551 [0,1,0,0,0,0|2,0,1]=4 881 B12R0.233 C#CCCNC(=O)NCCC(C)C 2708a_100000755551_100000210545 [0,1,0,0,0,0|2,0,1]=4 882 B12R0.233 C#CCCNC(=O)NCCC(C)C 273464a_100000210545_100000755551 [0,1,0,0,0,0|2,0,1]=4 883 B12R0.233 C#CCCNC(=O)NCCC(C)C 273464a_100000755551_100000210545 [0,1,0,0,0,0|2,0,1]=4 884 B12R0.233 C#CCCNC(=O)NCCC(C)C 512a_100000210545_100000755551 [0,1,0,0,0,0|2,0,1]=4 885 B12R0.233 C#CCCNC(=O)NCCC(C)C 512a_100000755551_100000210545 [0,1,0,0,0,0|2,0,1]=4 886 B12R0.233 C#CCCNC(=O)NCCC(C)O 2708a_100000755551_200000755665 [0,1,0,0,0,0|2,0,1]=4 887 B12R0.233 C#CCCNC(=O)NCCC(C)O 273464a_200000755665_100000755551 [0,1,0,0,0,0|2,0,1]=4 888 B12R0.233 C#CCCNC(=O)NCCC(C)O 512a_100000755551_200000755665 [0,1,0,0,0,0|2,0,1]=4 889 B12R0.233 C#CCCNC(=O)NCCC(C)O 512a_200000755665_100000755551 [0,1,0,0,0,0|2,0,1]=4 890 B12R0.233 CC#CCNC(=O)CCCC(C)C 11a_100000685387_100011216857 [0,1,0,0,0,0|3,0,0]=4 891 B12R0.233 CC#CCNC(=O)CCCC(C)C 1626a_100000685387_100011216857 [0,1,0,0,0,0|3,0,0]=4 892 B12R0.233 CC#CCNC(=O)CCCC(C)C 527a_100000685387_100011216857 [0,1,0,0,0,0|3,0,0]=4 893 B12R0.233 CC#CCNC(=O)CCCC(C)O 1626a_100000685387_100000761597 [0,1,0,0,0,0|3,0,0]=4 894 B12R0.233 CC#CCNC(=O)CCCC(C)O 527a_100000685387_100000761597 [0,1,0,0,0,0|3,0,0]=4 895 B12R0.233 CC#CCNC(=O)NCCC(C)C 2708a_100000210545_100000685387 [0,1,0,0,0,0|2,0,0]=3 896 B12R0.233 CC#CCNC(=O)NCCC(C)C 273464a_100000210545_100000685387 [0,1,0,0,0,0|2,0,0]=3 897 B12R0.233 CC#CCNC(=O)NCCC(C)C 273464a_100000685387_100000210545 [0,1,0,0,0,0|2,0,0]=3 898 B12R0.233 CC#CCNC(=O)NCCC(C)C 512a_100000210545_100000685387 [0,1,0,0,0,0|2,0,0]=3 899 B12R0.233 CC#CCNC(=O)NCCC(C)C 512a_100000685387_100000210545 [0,1,0,0,0,0|2,0,0]=3 900 B12R0.233 CC#CCNC(=O)NCCC(C)O 273464a_200000755665_100000685387 [0,1,0,0,0,0|2,0,0]=3 901 B12R0.233 CC#CCNC(=O)NCCC(C)O 512a_100000685387_200000755665 [0,1,0,0,0,0|2,0,0]=3 902 B12R0.233 CC#CCNC(=O)NCCC(C)O 512a_200000755665_100000685387 [0,1,0,0,0,0|2,0,0]=3 903 B12R0.233 CC#CCNC(=O)NCCN(C)C 273464a_100000210585_100000685387 [0,1,0,0,0,0|3,0,0]=4 904 B12R0.233 CC#CCNC(=O)NCCN(C)C 273464a_100000685387_100000210585 [0,1,0,0,0,0|3,0,0]=4 905 B12R0.233 CC#CCNC(=O)NCCN(C)C 512a_100000685387_100000210585 [0,1,0,0,0,0|3,0,0]=4 906 B12R0.233 CC#CCNC(=O)NNCC(C)C 273464a_100000685387_100000696102 [0,1,0,0,0,0|3,0,0]=4 907 B12R0.233 CC#CCNC(=O)NNCC(C)C 512a_100000685387_100000696102 [0,1,0,0,0,0|3,0,0]=4 908 B12R0.233 CC#CCNC(=O)NNCC(C)C 512a_100000696102_100000685387 [0,1,0,0,0,0|3,0,0]=4 909 B12R0.233 CC#CCNC(=O)NNCC(C)O 512a_100000685387_200000730056 [0,1,0,0,0,0|3,0,0]=4 910 B12R0.233 CC#CCNC(=O)NNCC(C)O 512a_200000730056_100000685387 [0,1,0,0,0,0|3,0,0]=4 911 B12R0.233 CC(C)CCNC(=O)CCCC#N 11a_100000210545_100000075515 [0,1,0,0,0,0|2,0,1]=4 912 B12R0.233 CC(C)CCNC(=O)CCCC#N 1626a_100000210545_100000075515 [0,1,0,0,0,0|2,0,1]=4 913 B12R0.233 CC(C)CCNC(=O)CCCC#N 240690a_100000210545_100000075515 [0,1,0,0,0,0|2,0,1]=4 914 B12R0.233 CC(C)CCNC(=O)CCCC#N 527a_100000210545_100000075515 [0,1,0,0,0,0|2,0,1]=4 915 B12R0.233 CC(C)CCNC(=O)NCCC#N 2708a_100000210545_100000720768 [0,1,0,0,0,0|2,0,1]=4 916 B12R0.233 CC(C)CCNC(=O)NCCC#N 2708a_100000720768_100000210545 [0,1,0,0,0,0|2,0,1]=4 917 B12R0.233 CC(C)CCNC(=O)NCCC#N 273464a_100000210545_100000720768 [0,1,0,0,0,0|2,0,1]=4 918 B12R0.233 CC(C)CCNC(=O)NCCC#N 273464a_100000720768_100000210545 [0,1,0,0,0,0|2,0,1]=4 919 B12R0.233 CC(C)CCNC(=O)NCCC#N 512a_100000210545_100000720768 [0,1,0,0,0,0|2,0,1]=4 920 B12R0.233 CC(C)CCNC(=O)NCCC#N 512a_100000720768_100000210545 [0,1,0,0,0,0|2,0,1]=4 921 B12R0.233 CC(O)CCNC(=O)CCCC#N 240690a_200000755665_100000075515 [0,1,0,0,0,0|2,0,1]=4 922 B12R0.233 CC(O)CCNC(=O)CCCC#N 527a_200000755665_100000075515 [0,1,0,0,0,0|2,0,1]=4 923 B12R0.233 CC(O)CCNC(=O)NCCC#N 2708a_100000720768_200000755665 [0,1,0,0,0,0|2,0,1]=4 924 B12R0.233 CC(O)CCNC(=O)NCCC#N 273464a_200000755665_100000720768 [0,1,0,0,0,0|2,0,1]=4 925 B12R0.233 CC(O)CCNC(=O)NCCC#N 512a_100000720768_200000755665 [0,1,0,0,0,0|2,0,1]=4 926 B12R0.233 CC(O)CCNC(=O)NCCC#N 512a_200000755665_100000720768 [0,1,0,0,0,0|2,0,1]=4 927 B12R0.239 C#CCCCC(=O)NC(C)CCC 11a_100000741246_100000690238 [0,1,0,0,0,0|2,0,1]=4 928 B12R0.239 C#CCCCC(=O)NC(C)CCC 1626a_100000741246_100000690238 [0,1,0,0,0,0|2,0,1]=4 929 B12R0.239 C#CCCCC(=O)NC(C)CCC 240690a_100000741246_100000690238 [0,1,0,0,0,0|2,0,1]=4 930 B12R0.239 C#CCCCC(=O)NC(C)CCC 527a_100000741246_100000690238 [0,1,0,0,0,0|2,0,1]=4 931 B12R0.239 C#CCCNC(=O)NC(C)CCC 2708a_100000741246_100000755551 [0,1,0,0,0,0|2,0,1]=4 932 B12R0.239 C#CCCNC(=O)NC(C)CCC 2708a_100000755551_100000741246 [0,1,0,0,0,0|2,0,1]=4 933 B12R0.239 C#CCCNC(=O)NC(C)CCC 273464a_100000741246_100000755551 [0,1,0,0,0,0|2,0,1]=4 934 B12R0.239 C#CCCNC(=O)NC(C)CCC 512a_100000741246_100000755551 [0,1,0,0,0,0|2,0,1]=4 935 B12R0.239 C#CCCNC(=O)NC(C)CCC 512a_100000755551_100000741246 [0,1,0,0,0,0|2,0,1]=4 936 B12R0.239 CC#CC(=O)CC(=O)NCCCC 1458a_100000763181_100000182744 [0,1,0,0,0,0|2,0,1]=4 937 B12R0.239 CC#CCNC(=O)CC(C)CCC 11a_100000685387_100000748435 [0,1,0,0,0,0|3,0,0]=4 938 B12R0.239 CC#CCNC(=O)CC(C)CCC 1626a_100000685387_100000748435 [0,1,0,0,0,0|3,0,0]=4 939 B12R0.239 CC#CCNC(=O)CC(C)CCC 527a_100000685387_100000748435 [0,1,0,0,0,0|3,0,0]=4 940 B12R0.239 CC#CCNC(=O)NC(C)CCC 2708a_100000741246_100000685387 [0,1,0,0,0,0|2,0,0]=3 941 B12R0.239 CC#CCNC(=O)NC(C)CCC 273464a_100000741246_100000685387 [0,1,0,0,0,0|2,0,0]=3 942 B12R0.239 CC#CCNC(=O)NC(C)CCC 512a_100000685387_100000741246 [0,1,0,0,0,0|2,0,0]=3 943 B12R0.239 CC#CCNC(=O)NC(C)CCC 512a_100000741246_100000685387 [0,1,0,0,0,0|2,0,0]=3 944 B12R0.239 CC#CCNC(=O)N[C@H](C)CCO 273464a_100000706166_100000685387 [0,1,0,0,0,0|3,0,0]=4 945 B12R0.239 CC#CCNC(=O)N[C@H](C)CCO 512a_100000685387_100000706166 [0,1,0,0,0,0|3,0,0]=4 946 B12R0.239 CC#CCNC(=O)N[C@H](C)CCO 512a_100000706166_100000685387 [0,1,0,0,0,0|3,0,0]=4 947 B12R0.239 CC#CCNC(=O)N[C@H](C)COC 2708a_100000764878_100000685387 [0,1,0,0,0,0|3,0,0]=4 948 B12R0.239 CC#CCNC(=O)N[C@H](C)COC 273464a_100000685387_100000764878 [0,1,0,0,0,0|3,0,0]=4 949 B12R0.239 CC#CCNC(=O)N[C@H](C)COC 273464a_100000764878_100000685387 [0,1,0,0,0,0|3,0,0]=4 950 B12R0.239 CC#CCNC(=O)N[C@H](C)COC 512a_100000685387_100000764878 [0,1,0,0,0,0|3,0,0]=4 951 B12R0.239 CC#CCNC(=O)N[C@H](C)COC 512a_100000764878_100000685387 [0,1,0,0,0,0|3,0,0]=4 952 B12R0.239 CCCC(C)NC(=O)CCCC#N 11a_100000741246_100000075515 [0,1,0,0,0,0|2,0,1]=4 953 B12R0.239 CCCC(C)NC(=O)CCCC#N 1626a_100000741246_100000075515 [0,1,0,0,0,0|2,0,1]=4 954 B12R0.239 CCCC(C)NC(=O)CCCC#N 240690a_100000741246_100000075515 [0,1,0,0,0,0|2,0,1]=4 955 B12R0.239 CCCC(C)NC(=O)CCCC#N 527a_100000741246_100000075515 [0,1,0,0,0,0|2,0,1]=4 956 B12R0.239 CCCC(C)NC(=O)NCCC#N 2708a_100000720768_100000741246 [0,1,0,0,0,0|2,0,1]=4 957 B12R0.239 CCCC(C)NC(=O)NCCC#N 2708a_100000741246_100000720768 [0,1,0,0,0,0|2,0,1]=4 958 B12R0.239 CCCC(C)NC(=O)NCCC#N 273464a_100000741246_100000720768 [0,1,0,0,0,0|2,0,1]=4 959 B12R0.239 CCCC(C)NC(=O)NCCC#N 512a_100000720768_100000741246 [0,1,0,0,0,0|2,0,1]=4 960 B12R0.239 CCCC(C)NC(=O)NCCC#N 512a_100000741246_100000720768 [0,1,0,0,0,0|2,0,1]=4 961 B12R0.239 CCCCNC(=O)N[C@@H](C)CC#N 2708a_100000102301_100016994482 [0,1,0,0,0,0|2,0,1]=4 962 B12R0.239 CCCCNC(=O)N[C@@H](C)CC#N 2708a_100016994482_100000102301 [0,1,0,0,0,0|2,0,1]=4 963 B12R0.239 CCCCNC(=O)N[C@@H](C)CC#N 273464a_100000102301_100016994482 [0,1,0,0,0,0|2,0,1]=4 964 B12R0.239 CCCCNC(=O)N[C@@H](C)CC#N 273464a_100016994482_100000102301 [0,1,0,0,0,0|2,0,1]=4 965 B12R0.239 CCCCNC(=O)N[C@@H](C)CC#N 512a_100000102301_100016994482 [0,1,0,0,0,0|2,0,1]=4 966 B12R0.239 CCCCNC(=O)N[C@@H](C)CC#N 512a_100016994482_100000102301 [0,1,0,0,0,0|2,0,1]=4 967 B12R0.648 C#CCCCC(=O)N(C)CCCC 11a_100000207549_100000690238 [0,1,0,0,0,0|2,0,1]=4 968 B12R0.648 C#CCCCC(=O)N(C)CCCC 1626a_100000207549_100000690238 [0,1,0,0,0,0|2,0,1]=4 969 B12R0.648 C#CCCCC(=O)N(C)CCCC 240690a_100000207549_100000690238 [0,1,0,0,0,0|2,0,1]=4 970 B12R0.648 C#CCCCC(=O)N(C)CCCC 527a_100000207549_100000690238 [0,1,0,0,0,0|2,0,1]=4 971 B12R0.648 C#CCCNC(=O)N(C)CCCC 2708a_100000755551_100000207549 [0,1,0,0,0,0|2,0,1]=4 972 B12R0.648 C#CCCNC(=O)N(C)CCCC 273464a_100000755551_100000207549 [0,1,0,0,0,0|2,0,1]=4 973 B12R0.648 CC#CCNC(=O)C(C)CCCC 11a_100000685387_100000725509 [0,1,0,0,0,0|3,0,0]=4 974 B12R0.648 CC#CCNC(=O)C(C)CCCC 1626a_100000685387_100000725509 [0,1,0,0,0,0|3,0,0]=4 975 B12R0.648 CC#CCNC(=O)C(C)CCCC 527a_100000685387_100000725509 [0,1,0,0,0,0|3,0,0]=4 976 B12R0.648 CC#CCNC(=O)C(O)CCCC 527a_100000685387_100000720857 [0,1,0,0,0,0|3,0,0]=4 977 B12R0.648 CC#CCNC(=O)N(C)CCCC 273464a_100000685387_100000207549 [0,1,0,0,0,0|2,0,0]=3 978 B12R0.648 CC#CCNC(=O)N(C)CCCO 273464a_100000685387_100000213112 [0,1,0,0,0,0|3,0,0]=4 979 B12R0.648 CC#CCNC(=O)N(C)CCOC 273464a_100000685387_100000743101 [0,1,0,0,0,0|3,0,0]=4 980 B12R0.648 CC#CCNC(=O)N(C)CCSC 273464a_100000685387_100000686725 [0,1,0,0,0,0|3,0,0]=4 981 B12R0.648 CCCCN(C)C(=O)CCCC#N 11a_100000207549_100000075515 [0,1,0,0,0,0|2,0,1]=4 982 B12R0.648 CCCCN(C)C(=O)CCCC#N 1626a_100000207549_100000075515 [0,1,0,0,0,0|2,0,1]=4 983 B12R0.648 CCCCN(C)C(=O)CCCC#N 240690a_100000207549_100000075515 [0,1,0,0,0,0|2,0,1]=4 984 B12R0.648 CCCCN(C)C(=O)CCCC#N 527a_100000207549_100000075515 [0,1,0,0,0,0|2,0,1]=4 985 B12R0.648 CCCCN(C)C(=O)NCCC#N 2708a_100000720768_100000207549 [0,1,0,0,0,0|2,0,1]=4 986 B12R0.648 CCCCN(C)C(=O)NCCC#N 273464a_100000720768_100000207549 [0,1,0,0,0,0|2,0,1]=4 987 B12R0.648 CCCCNC(=O)N(C)CCC#N 2708a_100000102301_100000184479 [0,1,0,0,0,0|2,0,1]=4 988 B12R0.648 CCCCNC(=O)N(C)CCC#N 273464a_100000102301_100000184479 [0,1,0,0,0,0|2,0,1]=4 989 B12R1.35 C#CCCCC(=O)N1CCCC1 240690a_100000188435_100000690238 [0,0,0,1,0,0|2,0,1]=4 990 B12R1.35 C#CCCCC(=O)N1CCCC1 527a_100000188435_100000690238 [0,0,0,1,0,0|2,0,1]=4 991 B12R1.35 C#CCCNC(=O)N1CCCC1 2708a_100000755551_100000188435 [0,0,0,1,0,0|2,0,1]=4 992 B12R1.35 C#CCCNC(=O)N1CCCC1 273464a_100000755551_100000188435 [0,0,0,1,0,0|2,0,1]=4 993 B12R1.35 CC#CCNC(=O)C1CCCC1 11a_100000685387_100000210718 [0,0,0,1,0,0|3,0,0]=4 994 B12R1.35 CC#CCNC(=O)C1CCCC1 1626a_100000685387_100000210718 [0,0,0,1,0,0|3,0,0]=4 995 B12R1.35 CC#CCNC(=O)C1CCCC1 527a_100000685387_100000210718 [0,0,0,1,0,0|3,0,0]=4 996 B12R1.35 CC#CCNC(=O)N1CCCC1 273464a_100000685387_100000188435 [0,0,0,1,0,0|2,0,0]=3 997 B12R1.35 CC#CCNC(=O)N1CCSC1 273464a_100000685387_100011215254 [0,0,0,1,0,0|3,0,0]=4 998 B12R1.35 N#CCCCC(=O)N1CCCC1 240690a_100000188435_100000075515 [0,0,0,1,0,0|2,0,1]=4 999 B12R1.35 N#CCCCC(=O)N1CCCC1 527a_100000188435_100000075515 [0,0,0,1,0,0|2,0,1]=4 1000 B12R1.35 N#CCCNC(=O)N1CCCC1 2708a_100000720768_100000188435 [0,0,0,1,0,0|2,0,1]=4 1001 B12R1.35 N#CCCNC(=O)N1CCCC1 273464a_100000720768_100000188435 [0,0,0,1,0,0|2,0,1]=4 1002 B12R1.481 CC#CCNC(=O)C1CC1CC 11a_100000685387_200011661523 [0,0,0,1,0,0|3,0,0]=4 1003 B12R1.481 CC#CCNC(=O)C1CC1CC 1626a_100000685387_200011661523 [0,0,0,1,0,0|3,0,0]=4 1004 B12R1.481 CC#CCNC(=O)C1CC1CC 527a_100000685387_200011661523 [0,0,0,1,0,0|3,0,0]=4 1005 B12R1.481 CCCCNC(=O)[C@@H]1C[C@H]1C#N 11a_100000102301_100015294237 [0,0,0,1,0,0|2,0,1]=4 1006 B12R1.481 CCCCNC(=O)[C@@H]1C[C@H]1C#N 1626a_100000102301_100015294237 [0,0,0,1,0,0|2,0,1]=4 1007 B12R1.481 CCCCNC(=O)[C@@H]1C[C@H]1C#N 240690a_100000102301_100015294237 [0,0,0,1,0,0|2,0,1]=4 1008 B12R1.482 CC#CCNC(=O)N[C@@H]1C[C@@H]1F 273464a_100000685387_100015190264 [0,0,0,1,0,0|3,0,0]=4 1009 B12R1.482 CC#CCNC(=O)N[C@@H]1C[C@@H]1F 273464a_100015190264_100000685387 [0,0,0,1,0,0|3,0,0]=4 1010 B12R1.482 CC#CCNC(=O)N[C@@H]1C[C@@H]1F 512a_100000685387_100015190264 [0,0,0,1,0,0|3,0,0]=4 1011 B12R1.482 CC#CCNC(=O)N[C@@H]1C[C@H]1F 273464a_100000685387_100025746932 [0,0,0,1,0,0|3,0,0]=4 1012 B12R1.482 CC#CCNC(=O)N[C@@H]1C[C@H]1F 512a_100000685387_100025746932 [0,0,0,1,0,0|3,0,0]=4 1013 B12R1.482 CC#CCNC(=O)N[C@@H]1C[C@H]1F 512a_100025746932_100000685387 [0,0,0,1,0,0|3,0,0]=4 1014 B12R1.483 C#CCCCC(=O)NC1CCC1 11a_100000749019_100000690238 [0,0,0,1,0,0|2,0,1]=4 1015 B12R1.483 C#CCCCC(=O)NC1CCC1 1626a_100000749019_100000690238 [0,0,0,1,0,0|2,0,1]=4 1016 B12R1.483 C#CCCCC(=O)NC1CCC1 240690a_100000749019_100000690238 [0,0,0,1,0,0|2,0,1]=4 1017 B12R1.483 C#CCCCC(=O)NC1CCC1 527a_100000749019_100000690238 [0,0,0,1,0,0|2,0,1]=4 1018 B12R1.483 C#CCCNC(=O)NC1CCC1 2708a_100000755551_100000749019 [0,0,0,1,0,0|2,0,1]=4 1019 B12R1.483 C#CCCNC(=O)NC1CCC1 273464a_100000749019_100000755551 [0,0,0,1,0,0|2,0,1]=4 1020 B12R1.483 C#CCCNC(=O)NC1CCC1 273464a_100000755551_100000749019 [0,0,0,1,0,0|2,0,1]=4 1021 B12R1.483 C#CCCNC(=O)NC1CCC1 512a_100000749019_100000755551 [0,0,0,1,0,0|2,0,1]=4 1022 B12R1.483 C#CCCNC(=O)NC1CCC1 512a_100000755551_100000749019 [0,0,0,1,0,0|2,0,1]=4 1023 B12R1.483 CC#CCNC(=O)CC1CCC1 11a_100000685387_100000763092 [0,0,0,1,0,0|3,0,0]=4 1024 B12R1.483 CC#CCNC(=O)CC1CCC1 1626a_100000685387_100000763092 [0,0,0,1,0,0|3,0,0]=4 1025 B12R1.483 CC#CCNC(=O)CC1CCC1 527a_100000685387_100000763092 [0,0,0,1,0,0|3,0,0]=4 1026 B12R1.483 CC#CCNC(=O)NC1CCC1 273464a_100000685387_100000749019 [0,0,0,1,0,0|2,0,0]=3 1027 B12R1.483 CC#CCNC(=O)NC1CCC1 273464a_100000749019_100000685387 [0,0,0,1,0,0|2,0,0]=3 1028 B12R1.483 CC#CCNC(=O)NC1CCC1 512a_100000685387_100000749019 [0,0,0,1,0,0|2,0,0]=3 1029 B12R1.483 CC#CCNC(=O)NC1CCC1 512a_100000749019_100000685387 [0,0,0,1,0,0|2,0,0]=3 1030 B12R1.483 CC#CCNC(=O)NC1COC1 2708a_100016991112_100000685387 [0,0,0,1,0,0|3,0,0]=4 1031 B12R1.483 CC#CCNC(=O)NC1COC1 273464a_100000685387_100016991112 [0,0,0,1,0,0|3,0,0]=4 1032 B12R1.483 CC#CCNC(=O)NC1COC1 273464a_100016991112_100000685387 [0,0,0,1,0,0|3,0,0]=4 1033 B12R1.483 CC#CCNC(=O)NC1COC1 512a_100000685387_100016991112 [0,0,0,1,0,0|3,0,0]=4 1034 B12R1.483 CC#CCNC(=O)NC1COC1 512a_100016991112_100000685387 [0,0,0,1,0,0|3,0,0]=4 1035 B12R1.483 CC#CCNC(=O)NC1CSC1 2708a_100016994217_100000685387 [0,0,0,1,0,0|3,0,0]=4 1036 B12R1.483 CC#CCNC(=O)NC1CSC1 273464a_100000685387_100016994217 [0,0,0,1,0,0|3,0,0]=4 1037 B12R1.483 CC#CCNC(=O)NC1CSC1 273464a_100016994217_100000685387 [0,0,0,1,0,0|3,0,0]=4 1038 B12R1.483 CC#CCNC(=O)NC1CSC1 512a_100000685387_100016994217 [0,0,0,1,0,0|3,0,0]=4 1039 B12R1.483 CC#CCNC(=O)NC1CSC1 512a_100016994217_100000685387 [0,0,0,1,0,0|3,0,0]=4 1040 B12R1.483 N#CCCCC(=O)NC1CCC1 11a_100000749019_100000075515 [0,0,0,1,0,0|2,0,1]=4 1041 B12R1.483 N#CCCCC(=O)NC1CCC1 1626a_100000749019_100000075515 [0,0,0,1,0,0|2,0,1]=4 1042 B12R1.483 N#CCCCC(=O)NC1CCC1 240690a_100000749019_100000075515 [0,0,0,1,0,0|2,0,1]=4 1043 B12R1.483 N#CCCCC(=O)NC1CCC1 527a_100000749019_100000075515 [0,0,0,1,0,0|2,0,1]=4 1044 B12R1.483 N#CCCNC(=O)NC1CCC1 2708a_100000720768_100000749019 [0,0,0,1,0,0|2,0,1]=4 1045 B12R1.483 N#CCCNC(=O)NC1CCC1 273464a_100000720768_100000749019 [0,0,0,1,0,0|2,0,1]=4 1046 B12R1.483 N#CCCNC(=O)NC1CCC1 273464a_100000749019_100000720768 [0,0,0,1,0,0|2,0,1]=4 1047 B12R1.483 N#CCCNC(=O)NC1CCC1 512a_100000720768_100000749019 [0,0,0,1,0,0|2,0,1]=4 1048 B12R1.483 N#CCCNC(=O)NC1CCC1 512a_100000749019_100000720768 [0,0,0,1,0,0|2,0,1]=4 1049 B12R1.484 C#CCCCC(=O)NCC1CC1 11a_100000735609_100000690238 [0,0,0,1,0,0|2,0,1]=4 1050 B12R1.484 C#CCCCC(=O)NCC1CC1 1626a_100000735609_100000690238 [0,0,0,1,0,0|2,0,1]=4 1051 B12R1.484 C#CCCCC(=O)NCC1CC1 240690a_100000735609_100000690238 [0,0,0,1,0,0|2,0,1]=4 1052 B12R1.484 C#CCCCC(=O)NCC1CC1 527a_100000735609_100000690238 [0,0,0,1,0,0|2,0,1]=4 1053 B12R1.484 C#CCCNC(=O)NCC1CC1 2708a_100000735609_100000755551 [0,0,0,1,0,0|2,0,1]=4 1054 B12R1.484 C#CCCNC(=O)NCC1CC1 2708a_100000755551_100000735609 [0,0,0,1,0,0|2,0,1]=4 1055 B12R1.484 C#CCCNC(=O)NCC1CC1 273464a_100000735609_100000755551 [0,0,0,1,0,0|2,0,1]=4 1056 B12R1.484 C#CCCNC(=O)NCC1CC1 273464a_100000755551_100000735609 [0,0,0,1,0,0|2,0,1]=4 1057 B12R1.484 C#CCCNC(=O)NCC1CC1 512a_100000735609_100000755551 [0,0,0,1,0,0|2,0,1]=4 1058 B12R1.484 C#CCCNC(=O)NCC1CC1 512a_100000755551_100000735609 [0,0,0,1,0,0|2,0,1]=4 1059 B12R1.484 CC#CCNC(=O)CCC1CC1 11a_100000685387_100000756386 [0,0,0,1,0,0|3,0,0]=4 1060 B12R1.484 CC#CCNC(=O)CCC1CC1 1626a_100000685387_100000756386 [0,0,0,1,0,0|3,0,0]=4 1061 B12R1.484 CC#CCNC(=O)CCC1CC1 527a_100000685387_100000756386 [0,0,0,1,0,0|3,0,0]=4 1062 B12R1.484 CC#CCNC(=O)NCC1CC1 2708a_100000735609_100000685387 [0,0,0,1,0,0|2,0,0]=3 1063 B12R1.484 CC#CCNC(=O)NCC1CC1 273464a_100000685387_100000735609 [0,0,0,1,0,0|2,0,0]=3 1064 B12R1.484 CC#CCNC(=O)NCC1CC1 273464a_100000735609_100000685387 [0,0,0,1,0,0|2,0,0]=3 1065 B12R1.484 CC#CCNC(=O)NCC1CC1 512a_100000685387_100000735609 [0,0,0,1,0,0|2,0,0]=3 1066 B12R1.484 CC#CCNC(=O)NCC1CC1 512a_100000735609_100000685387 [0,0,0,1,0,0|2,0,0]=3 1067 B12R1.484 CC#CCNC(=O)NNC1CC1 273464a_100000685387_100000701032 [0,0,0,1,0,0|3,0,0]=4 1068 B12R1.484 CC#CCNC(=O)NNC1CC1 512a_100000685387_100000701032 [0,0,0,1,0,0|3,0,0]=4 1069 B12R1.484 CC#CCNC(=O)NNC1CC1 512a_100000701032_100000685387 [0,0,0,1,0,0|3,0,0]=4 1070 B12R1.484 N#CCCCC(=O)NCC1CC1 11a_100000735609_100000075515 [0,0,0,1,0,0|2,0,1]=4 1071 B12R1.484 N#CCCCC(=O)NCC1CC1 1626a_100000735609_100000075515 [0,0,0,1,0,0|2,0,1]=4 1072 B12R1.484 N#CCCCC(=O)NCC1CC1 240690a_100000735609_100000075515 [0,0,0,1,0,0|2,0,1]=4 1073 B12R1.484 N#CCCCC(=O)NCC1CC1 527a_100000735609_100000075515 [0,0,0,1,0,0|2,0,1]=4 1074 B12R1.484 N#CCCNC(=O)NCC1CC1 2708a_100000720768_100000735609 [0,0,0,1,0,0|2,0,1]=4 1075 B12R1.484 N#CCCNC(=O)NCC1CC1 2708a_100000735609_100000720768 [0,0,0,1,0,0|2,0,1]=4 1076 B12R1.484 N#CCCNC(=O)NCC1CC1 273464a_100000720768_100000735609 [0,0,0,1,0,0|2,0,1]=4 1077 B12R1.484 N#CCCNC(=O)NCC1CC1 273464a_100000735609_100000720768 [0,0,0,1,0,0|2,0,1]=4 1078 B12R1.484 N#CCCNC(=O)NCC1CC1 512a_100000720768_100000735609 [0,0,0,1,0,0|2,0,1]=4 1079 B12R1.484 N#CCCNC(=O)NCC1CC1 512a_100000735609_100000720768 [0,0,0,1,0,0|2,0,1]=4 1080 B12R1.485 C#CCCCC(=O)N1CCC1C 11a_100000755817_100000690238 [0,0,0,1,0,0|2,0,1]=4 1081 B12R1.485 C#CCCCC(=O)N1CCC1C 240690a_100000755817_100000690238 [0,0,0,1,0,0|2,0,1]=4 1082 B12R1.485 C#CCCCC(=O)N1CCC1C 527a_100000755817_100000690238 [0,0,0,1,0,0|2,0,1]=4 1083 B12R1.485 C#CCCNC(=O)N1CCC1C 2708a_100000755551_100000755817 [0,0,0,1,0,0|2,0,1]=4 1084 B12R1.485 C#CCCNC(=O)N1CCC1C 273464a_100000755551_100000755817 [0,0,0,1,0,0|2,0,1]=4 1085 B12R1.485 CC#CCNC(=O)N1CCC1C 273464a_100000685387_100000755817 [0,0,0,1,0,0|2,0,0]=3 1086 B12R1.485 CC1CCN1C(=O)CCCC#N 11a_100000755817_100000075515 [0,0,0,1,0,0|2,0,1]=4 1087 B12R1.485 CC1CCN1C(=O)CCCC#N 240690a_100000755817_100000075515 [0,0,0,1,0,0|2,0,1]=4 1088 B12R1.485 CC1CCN1C(=O)CCCC#N 527a_100000755817_100000075515 [0,0,0,1,0,0|2,0,1]=4 1089 B12R1.485 CC1CCN1C(=O)NCCC#N 2708a_100000720768_100000755817 [0,0,0,1,0,0|2,0,1]=4 1090 B12R1.485 CC1CCN1C(=O)NCCC#N 273464a_100000720768_100000755817 [0,0,0,1,0,0|2,0,1]=4 1091 B9R0.45 C#CCCCNCCCC 2230a_100000102301_100000731252 [2,0,0,0,0,0|1,0,1]=4 1092 B9R0.45 C#CCCCNCCCC 34a_100000718082_100000210210 [2,0,0,0,0,0|1,0,1]=4 1093 B9R0.45 C#CCCCNCCCC 7a_106832991798_100011215417 [2,0,0,0,0,0|1,0,1]=4 1094 B9R0.45 C#CCOCCCCCC 34a_100000210247_100000210314 [2,0,0,0,0,0|1,0,1]=4 1095 B9R0.45 C#CCOCCCCCC 34a_100000210259_100000184674 [2,0,0,0,0,0|1,0,1]=4 1096 B9R0.45 C#CCOCCCCCC 7a_100000210259_100000038162 [2,0,0,0,0,0|1,0,1]=4 1097 B9R0.45 C#CCOCOCCCC 34a_100000210247_100011995733 [2,0,0,0,0,0|1,0,1]=4 1098 B9R0.45 CC#CCOCCCCC 34a_100000210253_100000748600 [2,0,0,0,0,0|1,0,1]=4 1099 B9R0.45 CC#CCOCCCCC 34a_100000761923_100000718602 [2,0,0,0,0,0|1,0,1]=4 1100 B9R0.45 CC#CCOCCCCC 7a_100000210253_100000748600 [2,0,0,0,0,0|1,0,1]=4 1101 B9R0.5 C#CCC(=O)C#CCCC 1458a_200011218047_100000184674 [2,0,0,0,0,0|1,0,1]=4 1102 B9R0.5 C#CCC(=O)C=CCCC 1458a_100000212230_100000184674 [2,0,0,0,0,0|1,0,1]=4 1103 B9R0.5 C#CCC(=O)CCCCC 1458a_100000212188_100000184674 [2,0,0,0,0,0|1,0,0]=3 1104 B9R0.5 C#CCC(=O)CCCCC 1458a_100011220946_100000210326 [2,0,0,0,0,0|1,0,0]=3 1105 B9R0.5 C#CCC(=O)CCCCF 1458a_100011220946_100000729493 [2,0,0,0,0,0|2,0,0]=4 1106 B9R0.5 C#CCC(=O)CCCCO 1458a_100000695505_100000184674 [2,0,0,0,0,0|2,0,0]=4 1107 B9R0.5 C#CCC(=O)CCCCO 1458a_100011220946_100000210776 [2,0,0,0,0,0|2,0,0]=4 1108 B9R0.5 C#CCC(=O)CCCOC 1458a_100000741012_100000184674 [2,0,0,0,0,0|2,0,0]=4 1109 B9R0.5 C#CCC(=O)CCCOC 1458a_100011220946_100000740836 [2,0,0,0,0,0|2,0,0]=4 1110 B9R0.5 C#CCC(=O)CCCSC 1458a_100000173376_100000184674 [2,0,0,0,0,0|2,0,0]=4 1111 B9R0.5 C#CCC(=O)CCOCC 1458a_100000749530_100000184674 [2,0,0,0,0,0|2,0,0]=4 1112 B9R0.5 C#CCC(=O)CCOCC 1458a_100011220946_100011215890 [2,0,0,0,0,0|2,0,0]=4 1113 B9R0.5 C#CCC(=O)CCSCC 1458a_100000230768_100000184674 [2,0,0,0,0,0|2,0,0]=4 1114 B9R0.5 C#CCC(=O)CCSCC 1458a_100011220946_100000757381 [2,0,0,0,0,0|2,0,0]=4 1115 B9R0.5 C#CCC(=O)COCCC 1458a_100000745993_100000184674 [2,0,0,0,0,0|2,0,0]=4 1116 B9R0.5 C#CCC(=O)CSCCC 1458a_100000217233_100000184674 [2,0,0,0,0,0|2,0,0]=4 1117 B9R0.5 C#CCC(=O)NCC#CC 1626a_100000685387_100011220946 [2,0,0,0,0,0|0,0,2]=4 1118 B9R0.5 C#CCC(=O)NCC#CC 527a_100000685387_100011220946 [2,0,0,0,0,0|0,0,2]=4 1119 B9R0.5 C#CCC(=O)NCCC#N 1626a_100000720768_100011220946 [2,0,0,0,0,0|1,0,1]=4 1120 B9R0.5 C#CCC(=O)NCCC#N 527a_100000720768_100011220946 [2,0,0,0,0,0|1,0,1]=4 1121 B9R0.5 C#CCC(=O)NCCC=C 1626a_100015191253_100011220946 [2,0,0,0,0,0|0,0,2]=4 1122 B9R0.5 C#CCC(=O)NCCC=C 527a_100015191253_100011220946 [2,0,0,0,0,0|0,0,2]=4 1123 B9R0.5 C#CCC(=O)NCCCC 1626a_100000102301_100011220946 [2,0,0,0,0,0|0,0,0]=2 1124 B9R0.5 C#CCC(=O)NCCCC 527a_100000102301_100011220946 [2,0,0,0,0,0|0,0,0]=2 1125 B9R0.5 C#CCC(=O)NCCCF 1626a_100015189416_100011220946 [2,0,0,0,0,0|1,0,0]=3 1126 B9R0.5 C#CCC(=O)NCCCF 527a_100015189416_100011220946 [2,0,0,0,0,0|1,0,0]=3 1127 B9R0.5 C#CCC(=O)NCCCO 527a_100000182051_100011220946 [2,0,0,0,0,0|1,0,0]=3 1128 B9R0.5 C#CCC(=O)NCCOC 1626a_100000209980_100011220946 [2,0,0,0,0,0|1,0,0]=3 1129 B9R0.5 C#CCC(=O)NCCOC 527a_100000209980_100011220946 [2,0,0,0,0,0|1,0,0]=3 1130 B9R0.5 C#CCC(=O)NCCSC 1626a_100020590264_100011220946 [2,0,0,0,0,0|1,0,0]=3 1131 B9R0.5 C#CCC(=O)NCCSC 527a_100020590264_100011220946 [2,0,0,0,0,0|1,0,0]=3 1132 B9R0.5 C#CCCNC(=O)CC#C 1626a_100000755551_100011220946 [2,0,0,0,0,0|0,0,2]=4 1133 B9R0.5 C#CCCNC(=O)CC#C 527a_100000755551_100011220946 [2,0,0,0,0,0|0,0,2]=4 1134 B9R0.5 C=CCC(=O)NCCCC 11a_100000102301_100000210193 [2,0,0,0,0,0|0,0,2]=4 1135 B9R0.5 C=CCC(=O)NCCCC 1626a_100000102301_100000210193 [2,0,0,0,0,0|0,0,2]=4 1136 B9R0.5 C=CCC(=O)NCCCC 240690a_100000102301_100000210193 [2,0,0,0,0,0|0,0,2]=4 1137 B9R0.5 C=CCC(=O)NCCCC 527a_100000102301_100000210193 [2,0,0,0,0,0|0,0,2]=4 1138 B9R0.5 CC#CC(=O)CCCCC 1458a_100000763181_100000210326 [2,0,0,0,0,0|2,0,0]=4 1139 B9R0.5 CC#CC(=O)NNCCC 22a_100000740057_100000763181 [2,0,0,0,0,0|2,0,0]=4 1140 B9R0.5 CC#CCNC(=O)CCC 11a_100000685387_100000211992 [2,0,0,0,0,0|2,0,0]=4 1141 B9R0.5 CC#CCNC(=O)CCC 1626a_100000685387_100000211992 [2,0,0,0,0,0|2,0,0]=4 1142 B9R0.5 CC#CCNC(=O)CCC 527a_100000685387_100000211992 [2,0,0,0,0,0|2,0,0]=4 1143 B9R0.5 CC#CCNC(=O)NCC 2708a_100015525214_100000685387 [2,0,0,0,0,0|2,0,0]=4 1144 B9R0.5 CC#CCNC(=O)NCC 273464a_100000685387_100015525214 [2,0,0,0,0,0|2,0,0]=4 1145 B9R0.5 CC#CCNC(=O)NCC 273464a_100015525214_100000685387 [2,0,0,0,0,0|2,0,0]=4 1146 B9R0.5 CC#CCNC(=O)NCC 512a_100000685387_100015525214 [2,0,0,0,0,0|2,0,0]=4 1147 B9R0.5 CC#CCNC(=O)NCC 512a_100015525214_100000685387 [2,0,0,0,0,0|2,0,0]=4 1148 B9R0.5 CCCCCC(=O)CC#N 1458a_100000212188_100011214920 [2,0,0,0,0,0|2,0,0]=4 1149 B9R0.5 CCCCCC(=O)CC#N 1458a_100051588842_100000210326 [2,0,0,0,0,0|2,0,0]=4 1150 B9R0.5 CCCCNC(=O)C=CI 1626a_100000102301_100016256311 [2,0,0,0,0,0|0,0,2]=4 1151 B9R0.5 CCCCNC(=O)CC#N 1626a_100000102301_100051588842 [2,0,0,0,0,0|1,0,0]=3 1152 B9R0.5 CCCCNC(=O)CC#N 240690a_100000102301_100051588842 [2,0,0,0,0,0|1,0,0]=3 1153 B9R0.5 CCCCNC(=O)CCC 11a_100000102301_100000211992 [2,0,0,0,0,0|0,0,2]=4 1154 B9R0.5 CCCCNC(=O)CCC 1626a_100000102301_100000211992 [2,0,0,0,0,0|0,0,2]=4 1155 B9R0.5 CCCCNC(=O)CCC 240690a_100000102301_100000211992 [2,0,0,0,0,0|0,0,2]=4 1156 B9R0.5 CCCCNC(=O)CCC 527a_100000102301_100000211992 [2,0,0,0,0,0|0,0,2]=4 1157 B9R0.5 CCCCNC(=O)CCO 240690a_100000102301_100011216618 [2,0,0,0,0,0|1,0,1]=4 1158 B9R0.5 CCCCNC(=O)CNC 2230a_106832991635_100000182744 [2,0,0,0,0,0|1,0,1]=4 1159 B9R0.5 CCCCNC(=O)CNC 34a_100102657272_100000182744 [2,0,0,0,0,0|1,0,1]=4 1160 B9R0.5 CCCCNC(=O)CNC 7a_106832991635_100000182744 [2,0,0,0,0,0|1,0,1]=4 1161 B9R0.5 CCCCNC(=O)COC 11a_100000102301_100000210968 [2,0,0,0,0,0|1,0,1]=4 1162 B9R0.5 CCCCNC(=O)COC 1626a_100000102301_100000210968 [2,0,0,0,0,0|1,0,1]=4 1163 B9R0.5 CCCCNC(=O)COC 240690a_100000102301_100000210968 [2,0,0,0,0,0|1,0,1]=4 1164 B9R0.5 CCCCNC(=O)COC 34a_100138415774_100000182744 [2,0,0,0,0,0|1,0,1]=4 1165 B9R0.5 CCCCNC(=O)COC 527a_100000102301_100000210968 [2,0,0,0,0,0|1,0,1]=4 1166 B9R0.5 CCCCNC(=O)CSC 11a_100000102301_100000184570 [2,0,0,0,0,0|1,0,1]=4 1167 B9R0.5 CCCCNC(=O)CSC 1626a_100000102301_100000184570 [2,0,0,0,0,0|1,0,1]=4 1168 B9R0.5 CCCCNC(=O)CSC 240690a_100000102301_100000184570 [2,0,0,0,0,0|1,0,1]=4 1169 B9R0.5 CCCCNC(=O)CSC 527a_100000102301_100000184570 [2,0,0,0,0,0|1,0,1]=4 1170 B9R0.5 CCCCNC(=O)CSC 62a_100000182744_200000210301 [2,0,0,0,0,0|1,0,1]=4 1171 B9R0.5 CCCCNC(=O)CSC 62a_200000210301_100000182744 [2,0,0,0,0,0|1,0,1]=4 1172 B9R0.5 CCCCNC(=O)CS[13CH3] 62a_100000182744_200025704644 [2,0,0,0,0,0|1,0,1]=4 1173 B9R0.5 CCCCNC(=O)CS[13CH3] 62a_200025704644_100000182744 [2,0,0,0,0,0|1,0,1]=4 1174 B9R0.5 CCCCNC(=O)NCC 2708a_100000102301_100015525214 [2,0,0,0,0,0|1,0,1]=4 1175 B9R0.5 CCCCNC(=O)NCC 2708a_100015525214_100000102301 [2,0,0,0,0,0|1,0,1]=4 1176 B9R0.5 CCCCNC(=O)NCC 273464a_100000102301_100015525214 [2,0,0,0,0,0|1,0,1]=4 1177 B9R0.5 CCCCNC(=O)NCC 273464a_100015525214_100000102301 [2,0,0,0,0,0|1,0,1]=4 1178 B9R0.5 CCCCNC(=O)NCC 512a_100000102301_100015525214 [2,0,0,0,0,0|1,0,1]=4 1179 B9R0.5 CCCCNC(=O)NCC 512a_100015525214_100000102301 [2,0,0,0,0,0|1,0,1]=4 1180 B9R0.5 CCCNNC(=O)CC#N 22a_100000740057_100051588842 [2,0,0,0,0,0|2,0,0]=4 1181 B9R0.5 CCOC(=O)NCCNC 7a_106832991635_200011445536 [2,0,0,0,0,0|1,0,1]=4 1182 B9R0.5 CCOC(=O)NCCOC 34a_100000158857_200000210301 [2,0,0,0,0,0|1,0,1]=4 1183 B9R0.5 CCOC(=O)NCCO[13CH3] 34a_100000158857_200025704644 [2,0,0,0,0,0|1,0,1]=4 1184 B9R0.5 CCOC(=O)NCCSC 62a_200000210301_200011445536 [2,0,0,0,0,0|1,0,1]=4 1185 B9R0.5 CCOC(=O)NCCS[13CH3] 62a_200025704644_200011445536 [2,0,0,0,0,0|1,0,1]=4 1186 B9R0.5 COCCNC(=O)CC#N 1626a_100000209980_100051588842 [2,0,0,0,0,0|2,0,0]=4 1187 B9R0.5 COCCNC(=O)CC#N 240690a_100000209980_100051588842 [2,0,0,0,0,0|2,0,0]=4 1188 B9R0.5 CSCCNC(=O)CC#N 1626a_100020590264_100051588842 [2,0,0,0,0,0|2,0,0]=4 1189 B9R0.5 CSCCNC(=O)CC#N 240690a_100020590264_100051588842 [2,0,0,0,0,0|2,0,0]=4 1190 B9R0.5 N#CCC(=O)NCCCF 1626a_100015189416_100051588842 [2,0,0,0,0,0|2,0,0]=4 1191 B9R0.5 N#CCC(=O)NCCCF 240690a_100015189416_100051588842 [2,0,0,0,0,0|2,0,0]=4 1192 B9R0.5 N#CCC(=O)NCCCO 240690a_100000182051_100051588842 [2,0,0,0,0,0|2,0,0]=4 1193 B9R0.18 C#CCCC(=O)CCCC 1458a_100000210183_100000753159 [2,0,0,0,0,0|1,0,0]=3 1194 B9R0.18 C#CCCC(=O)CCCC 1458a_100000692101_100000210211 [2,0,0,0,0,0|1,0,0]=3 1195 B9R0.18 C#CCCC(=O)CCCF 1458a_100000692101_100011934791 [2,0,0,0,0,0|2,0,0]=4 1196 B9R0.18 C#CCCC(=O)CCCO 1458a_100000692101_100011215043 [2,0,0,0,0,0|2,0,0]=4 1197 B9R0.18 C#CCCC(=O)CCOC 1458a_100000692101_100000233755 [2,0,0,0,0,0|2,0,0]=4 1198 B9R0.18 C#CCCC(=O)CCOC 1458a_100000749529_100000753159 [2,0,0,0,0,0|2,0,0]=4 1199 B9R0.18 C#CCCC(=O)CCOC 34a_100011064465_200000210301 [2,0,0,0,0,0|2,0,0]=4 1200 B9R0.18 C#CCCC(=O)CCOC 7a_100011064465_200000210301 [2,0,0,0,0,0|2,0,0]=4 1201 B9R0.18 C#CCCC(=O)CCO[13CH3] 34a_100011064465_200025704644 [2,0,0,0,0,0|2,0,0]=4 1202 B9R0.18 C#CCCC(=O)CCO[13CH3] 7a_100011064465_200025704644 [2,0,0,0,0,0|2,0,0]=4 1203 B9R0.18 C#CCCC(=O)CCSC 1458a_100000174002_100000753159 [2,0,0,0,0,0|2,0,0]=4 1204 B9R0.18 C#CCCC(=O)CCSC 1458a_100000692101_100000751147 [2,0,0,0,0,0|2,0,0]=4 1205 B9R0.18 C#CCCC(=O)COCC 1458a_100000211967_100000753159 [2,0,0,0,0,0|2,0,0]=4 1206 B9R0.18 C#CCCC(=O)CSCC 1458a_100000230394_100000753159 [2,0,0,0,0,0|2,0,0]=4 1207 B9R0.18 C#CCCC(=O)NCCC 11a_100020643023_100000692101 [2,0,0,0,0,0|1,0,0]=3 1208 B9R0.18 C#CCCC(=O)NCCC 1626a_100020643023_100000692101 [2,0,0,0,0,0|1,0,0]=3 1209 B9R0.18 C#CCCC(=O)NCCC 240690a_100020643023_100000692101 [2,0,0,0,0,0|1,0,0]=3 1210 B9R0.18 C#CCCC(=O)NCCC 527a_100020643023_100000692101 [2,0,0,0,0,0|1,0,0]=3 1211 B9R0.18 C#CCCC(=O)NCCF 11a_100000724931_100000692101 [2,0,0,0,0,0|2,0,0]=4 1212 B9R0.18 C#CCCC(=O)NCCF 1626a_100000724931_100000692101 [2,0,0,0,0,0|2,0,0]=4 1213 B9R0.18 C#CCCC(=O)NCCF 240690a_100000724931_100000692101 [2,0,0,0,0,0|2,0,0]=4 1214 B9R0.18 C#CCCC(=O)NCCF 527a_100000724931_100000692101 [2,0,0,0,0,0|2,0,0]=4 1215 B9R0.18 C#CCCC(=O)NCCO 240690a_100000210304_100000692101 [2,0,0,0,0,0|2,0,0]=4 1216 B9R0.18 C#CCCC(=O)NCCO 527a_100000210304_100000692101 [2,0,0,0,0,0|2,0,0]=4 1217 B9R0.18 C#CCCC(=O)NNCC 22a_100000756455_100000692101 [2,0,0,0,0,0|2,0,0]=4 1218 B9R0.18 C#CCNC(=O)CCCC 11a_100000212058_100000210183 [2,0,0,0,0,0|1,0,0]=3 1219 B9R0.18 C#CCNC(=O)CCCC 1626a_100000212058_100000210183 [2,0,0,0,0,0|1,0,0]=3 1220 B9R0.18 C#CCNC(=O)CCCC 240690a_100000212058_100000210183 [2,0,0,0,0,0|1,0,0]=3 1221 B9R0.18 C#CCNC(=O)CCCC 527a_100000212058_100000210183 [2,0,0,0,0,0|1,0,0]=3 1222 B9R0.18 C#CCNC(=O)CCOC 11a_100000212058_100000749529 [2,0,0,0,0,0|2,0,0]=4 1223 B9R0.18 C#CCNC(=O)CCOC 1626a_100000212058_100000749529 [2,0,0,0,0,0|2,0,0]=4 1224 B9R0.18 C#CCNC(=O)CCOC 240690a_100000212058_100000749529 [2,0,0,0,0,0|2,0,0]=4 1225 B9R0.18 C#CCNC(=O)CCOC 527a_100000212058_100000749529 [2,0,0,0,0,0|2,0,0]=4 1226 B9R0.18 C#CCNC(=O)CCSC 11a_100000212058_100000174002 [2,0,0,0,0,0|2,0,0]=4 1227 B9R0.18 C#CCNC(=O)CCSC 1626a_100000212058_100000174002 [2,0,0,0,0,0|2,0,0]=4 1228 B9R0.18 C#CCNC(=O)CCSC 240690a_100000212058_100000174002 [2,0,0,0,0,0|2,0,0]=4 1229 B9R0.18 C#CCNC(=O)CCSC 527a_100000212058_100000174002 [2,0,0,0,0,0|2,0,0]=4 1230 B9R0.18 C#CCNC(=O)CNCC 2230a_100000747989_100000210202 [2,0,0,0,0,0|2,0,0]=4 1231 B9R0.18 C#CCNC(=O)CNCC 34a_100000747989_100000210202 [2,0,0,0,0,0|2,0,0]=4 1232 B9R0.18 C#CCNC(=O)COCC 11a_100000212058_100000211967 [2,0,0,0,0,0|2,0,0]=4 1233 B9R0.18 C#CCNC(=O)COCC 1626a_100000212058_100000211967 [2,0,0,0,0,0|2,0,0]=4 1234 B9R0.18 C#CCNC(=O)COCC 240690a_100000212058_100000211967 [2,0,0,0,0,0|2,0,0]=4 1235 B9R0.18 C#CCNC(=O)COCC 527a_100000212058_100000211967 [2,0,0,0,0,0|2,0,0]=4 1236 B9R0.18 C#CCNC(=O)CSCC 11a_100000212058_100000230394 [2,0,0,0,0,0|2,0,0]=4 1237 B9R0.18 C#CCNC(=O)CSCC 1626a_100000212058_100000230394 [2,0,0,0,0,0|2,0,0]=4 1238 B9R0.18 C#CCNC(=O)CSCC 240690a_100000212058_100000230394 [2,0,0,0,0,0|2,0,0]=4 1239 B9R0.18 C#CCNC(=O)CSCC 527a_100000212058_100000230394 [2,0,0,0,0,0|2,0,0]=4 1240 B9R0.18 C#CCNC(=O)NCCC 2708a_100000212058_100020643023 [2,0,0,0,0,0|1,0,0]=3 1241 B9R0.18 C#CCNC(=O)NCCC 2708a_100020643023_100000212058 [2,0,0,0,0,0|1,0,0]=3 1242 B9R0.18 C#CCNC(=O)NCCC 273464a_100000212058_100020643023 [2,0,0,0,0,0|1,0,0]=3 1243 B9R0.18 C#CCNC(=O)NCCC 273464a_100020643023_100000212058 [2,0,0,0,0,0|1,0,0]=3 1244 B9R0.18 C#CCNC(=O)NCCC 512a_100000212058_100020643023 [2,0,0,0,0,0|1,0,0]=3 1245 B9R0.18 C#CCNC(=O)NCCC 512a_100020643023_100000212058 [2,0,0,0,0,0|1,0,0]=3 1246 B9R0.18 C#CCNC(=O)NCCF 2708a_100000212058_100000724931 [2,0,0,0,0,0|2,0,0]=4 1247 B9R0.18 C#CCNC(=O)NCCF 273464a_100000212058_100000724931 [2,0,0,0,0,0|2,0,0]=4 1248 B9R0.18 C#CCNC(=O)NCCF 273464a_100000724931_100000212058 [2,0,0,0,0,0|2,0,0]=4 1249 B9R0.18 C#CCNC(=O)NCCF 512a_100000212058_100000724931 [2,0,0,0,0,0|2,0,0]=4 1250 B9R0.18 C#CCNC(=O)NCCO 2708a_100000212058_100000210304 [2,0,0,0,0,0|2,0,0]=4 1251 B9R0.18 C#CCNC(=O)NCCO 273464a_100000210304_100000212058 [2,0,0,0,0,0|2,0,0]=4 1252 B9R0.18 C#CCNC(=O)NCCO 273464a_100000212058_100000210304 [2,0,0,0,0,0|2,0,0]=4 1253 B9R0.18 C#CCNC(=O)NCCO 512a_100000212058_100000210304 [2,0,0,0,0,0|2,0,0]=4 1254 B9R0.18 C#CCNC(=O)NNCC 273464a_100000212058_100000756455 [2,0,0,0,0,0|2,0,0]=4 1255 B9R0.18 C#CCNC(=O)NNCC 512a_100000212058_100000756455 [2,0,0,0,0,0|2,0,0]=4 1256 B9R0.18 C#CCNC(=O)NNCC 512a_100000756455_100000212058 [2,0,0,0,0,0|2,0,0]=4 1257 B9R0.18 C#CCOC(C)CCCC 34a_100000210247_200011215066 [2,0,0,0,0,0|1,0,1]=4 1258 B9R0.18 C#CCOC(C)CCCC 34a_100000687866_100000184674 [2,0,0,0,0,0|1,0,1]=4 1259 B9R0.18 C#CCOC(C)CCCC 7a_100000687866_100000038162 [2,0,0,0,0,0|1,0,1]=4 1260 B9R0.18 CC#CCC(=O)CCCC 1458a_100000210183_100000748600 [2,0,0,0,0,0|1,0,0]=3 1261 B9R0.18 CC#CCC(=O)CCOC 1458a_100000749529_100000748600 [2,0,0,0,0,0|2,0,0]=4 1262 B9R0.18 CC#CCC(=O)CCSC 1458a_100000174002_100000748600 [2,0,0,0,0,0|2,0,0]=4 1263 B9R0.18 CC#CCC(=O)COCC 1458a_100000211967_100000748600 [2,0,0,0,0,0|2,0,0]=4 1264 B9R0.18 CC#CCC(=O)CSCC 1458a_100000230394_100000748600 [2,0,0,0,0,0|2,0,0]=4 1265 B9R0.18 CCCCC(=O)CCC#N 1458a_100000210183_100011215226 [2,0,0,0,0,0|1,0,1]=4 1266 B9R0.18 CCCCC(=O)CCC#N 1458a_100011934036_100000210211 [2,0,0,0,0,0|1,0,1]=4 1267 B9R0.18 CCCCC(=O)NCC#N 1626a_100000734998_100000210183 [2,0,0,0,0,0|2,0,0]=4 1268 B9R0.18 CCCCC(=O)NCC#N 527a_100000734998_100000210183 [2,0,0,0,0,0|2,0,0]=4 1269 B9R0.18 CCCNC(=O)CCC#N 11a_100020643023_100011934036 [2,0,0,0,0,0|1,0,1]=4 1270 B9R0.18 CCCNC(=O)CCC#N 1626a_100020643023_100011934036 [2,0,0,0,0,0|1,0,1]=4 1271 B9R0.18 CCCNC(=O)CCC#N 240690a_100020643023_100011934036 [2,0,0,0,0,0|1,0,1]=4 1272 B9R0.18 CCCNC(=O)CCC#N 527a_100020643023_100011934036 [2,0,0,0,0,0|1,0,1]=4 1273 B9R0.18 CCCNC(=O)NCC#N 2708a_100000734998_100020643023 [2,0,0,0,0,0|2,0,0]=4 1274 B9R0.18 CCCNC(=O)NCC#N 273464a_100000734998_100020643023 [2,0,0,0,0,0|2,0,0]=4 1275 B9R0.18 CCCNC(=O)NCC#N 273464a_100020643023_100000734998 [2,0,0,0,0,0|2,0,0]=4 1276 B9R0.18 CCCNC(=O)NCC#N 512a_100000734998_100020643023 [2,0,0,0,0,0|2,0,0]=4 1277 B9R0.18 CCCNC(=O)NCC#N 512a_100020643023_100000734998 [2,0,0,0,0,0|2,0,0]=4 1278 B11R0.3 CC#CCOC/C=C/CCCC 34a_200016272032_100000748600 [1,1,0,0,0,0|2,0,0]=4 1279 B11R0.3 CC#CCOC/C=C/CCCC 7a_200016272032_100000748600 [1,1,0,0,0,0|2,0,0]=4 1280 B11R0.5 C#CCCC(=O)CC(C)CCC 1458a_100000692101_100011216630 [1,1,0,0,0,0|2,0,0]=4 1281 B11R0.5 C#CCCC(=O)CC(C)CCC 1458a_100000748435_100000753159 [1,1,0,0,0,0|2,0,0]=4 1282 B11R0.5 C#CCCC(=O)NC(C)CCC 11a_100000741246_100000692101 [1,1,0,0,0,0|1,0,0]=3 1283 B11R0.5 C#CCCC(=O)NC(C)CCC 1626a_100000741246_100000692101 [1,1,0,0,0,0|1,0,0]=3 1284 B11R0.5 C#CCCC(=O)NC(C)CCC 240690a_100000741246_100000692101 [1,1,0,0,0,0|1,0,0]=3 1285 B11R0.5 C#CCCC(=O)NC(C)CCC 527a_100000741246_100000692101 [1,1,0,0,0,0|1,0,0]=3 1286 B11R0.5 C#CCCC(=O)N[C@H](C)CCO 240690a_100000706166_100000692101 [1,1,0,0,0,0|2,0,0]=4 1287 B11R0.5 C#CCCC(=O)N[C@H](C)CCO 527a_100000706166_100000692101 [1,1,0,0,0,0|2,0,0]=4 1288 B11R0.5 C#CCCC(=O)N[C@H](C)COC 11a_100000764878_100000692101 [1,1,0,0,0,0|2,0,0]=4 1289 B11R0.5 C#CCCC(=O)N[C@H](C)COC 1626a_100000764878_100000692101 [1,1,0,0,0,0|2,0,0]=4 1290 B11R0.5 C#CCCC(=O)N[C@H](C)COC 240690a_100000764878_100000692101 [1,1,0,0,0,0|2,0,0]=4 1291 B11R0.5 C#CCCC(=O)N[C@H](C)COC 527a_100000764878_100000692101 [1,1,0,0,0,0|2,0,0]=4 1292 B11R0.5 C#CCNC(=O)CC(C)CCC 11a_100000212058_100000748435 [1,1,0,0,0,0|2,0,0]=4 1293 B11R0.5 C#CCNC(=O)CC(C)CCC 1626a_100000212058_100000748435 [1,1,0,0,0,0|2,0,0]=4 1294 B11R0.5 C#CCNC(=O)CC(C)CCC 240690a_100000212058_100000748435 [1,1,0,0,0,0|2,0,0]=4 1295 B11R0.5 C#CCNC(=O)CC(C)CCC 527a_100000212058_100000748435 [1,1,0,0,0,0|2,0,0]=4 1296 B11R0.5 C#CCNC(=O)NC(C)CCC 2708a_100000212058_100000741246 [1,1,0,0,0,0|1,0,0]=3 1297 B11R0.5 C#CCNC(=O)NC(C)CCC 2708a_100000741246_100000212058 [1,1,0,0,0,0|1,0,0]=3 1298 B11R0.5 C#CCNC(=O)NC(C)CCC 273464a_100000741246_100000212058 [1,1,0,0,0,0|1,0,0]=3 1299 B11R0.5 C#CCNC(=O)NC(C)CCC 512a_100000212058_100000741246 [1,1,0,0,0,0|1,0,0]=3 1300 B11R0.5 C#CCNC(=O)NC(C)CCC 512a_100000741246_100000212058 [1,1,0,0,0,0|1,0,0]=3 1301 B11R0.5 C#CCNC(=O)N[C@H](C)CCO 2708a_100000212058_100000706166 [1,1,0,0,0,0|2,0,0]=4 1302 B11R0.5 C#CCNC(=O)N[C@H](C)CCO 273464a_100000706166_100000212058 [1,1,0,0,0,0|2,0,0]=4 1303 B11R0.5 C#CCNC(=O)N[C@H](C)CCO 512a_100000212058_100000706166 [1,1,0,0,0,0|2,0,0]=4 1304 B11R0.5 C#CCNC(=O)N[C@H](C)CCO 512a_100000706166_100000212058 [1,1,0,0,0,0|2,0,0]=4 1305 B11R0.5 C#CCNC(=O)N[C@H](C)COC 2708a_100000212058_100000764878 [1,1,0,0,0,0|2,0,0]=4 1306 B11R0.5 C#CCNC(=O)N[C@H](C)COC 2708a_100000764878_100000212058 [1,1,0,0,0,0|2,0,0]=4 1307 B11R0.5 C#CCNC(=O)N[C@H](C)COC 273464a_100000212058_100000764878 [1,1,0,0,0,0|2,0,0]=4 1308 B11R0.5 C#CCNC(=O)N[C@H](C)COC 273464a_100000764878_100000212058 [1,1,0,0,0,0|2,0,0]=4 1309 B11R0.5 C#CCNC(=O)N[C@H](C)COC 512a_100000212058_100000764878 [1,1,0,0,0,0|2,0,0]=4 1310 B11R0.5 C#CCNC(=O)N[C@H](C)COC 512a_100000764878_100000212058 [1,1,0,0,0,0|2,0,0]=4 1311 B11R0.5 CC#CCC(=O)CC(C)CCC 1458a_100000748435_100000748600 [1,1,0,0,0,0|2,0,0]=4 1312 B11R0.5 CCCC(C)NC(=O)CCC#N 11a_100000741246_100011934036 [1,1,0,0,0,0|1,0,1]=4 1313 B11R0.5 CCCC(C)NC(=O)CCC#N 1626a_100000741246_100011934036 [1,1,0,0,0,0|1,0,1]=4 1314 B11R0.5 CCCC(C)NC(=O)CCC#N 240690a_100000741246_100011934036 [1,1,0,0,0,0|1,0,1]=4 1315 B11R0.5 CCCC(C)NC(=O)CCC#N 527a_100000741246_100011934036 [1,1,0,0,0,0|1,0,1]=4 1316 B11R0.5 CCCC(C)NC(=O)NCC#N 2708a_100000734998_100000741246 [1,1,0,0,0,0|2,0,0]=4 1317 B11R0.5 CCCC(C)NC(=O)NCC#N 273464a_100000741246_100000734998 [1,1,0,0,0,0|2,0,0]=4 1318 B11R0.5 CCCC(C)NC(=O)NCC#N 512a_100000734998_100000741246 [1,1,0,0,0,0|2,0,0]=4 1319 B11R0.5 CCCC(C)NC(=O)NCC#N 512a_100000741246_100000734998 [1,1,0,0,0,0|2,0,0]=4 1320 B11R0.11 C#CCCC(=O)C(C)CCCC 1458a_100000692101_200011215066 [1,1,0,0,0,0|2,0,0]=4 1321 B11R0.11 C#CCCC(=O)C(C)CCCC 1458a_100000725509_100000753159 [1,1,0,0,0,0|2,0,0]=4 1322 B11R0.11 C#CCCC(=O)C(O)CCCC 1458a_100000720857_100000753159 [1,1,0,0,0,0|2,0,0]=4 1323 B11R0.11 C#CCCC(=O)N(C)CCCC 11a_100000207549_100000692101 [1,1,0,0,0,0|1,0,0]=3 1324 B11R0.11 C#CCCC(=O)N(C)CCCC 1626a_100000207549_100000692101 [1,1,0,0,0,0|1,0,0]=3 1325 B11R0.11 C#CCCC(=O)N(C)CCCC 240690a_100000207549_100000692101 [1,1,0,0,0,0|1,0,0]=3 1326 B11R0.11 C#CCCC(=O)N(C)CCCC 527a_100000207549_100000692101 [1,1,0,0,0,0|1,0,0]=3 1327 B11R0.11 C#CCCC(=O)N(C)CCCO 240690a_100000213112_100000692101 [1,1,0,0,0,0|2,0,0]=4 1328 B11R0.11 C#CCCC(=O)N(C)CCCO 527a_100000213112_100000692101 [1,1,0,0,0,0|2,0,0]=4 1329 B11R0.11 C#CCCC(=O)N(C)CCOC 11a_100000743101_100000692101 [1,1,0,0,0,0|2,0,0]=4 1330 B11R0.11 C#CCCC(=O)N(C)CCOC 1626a_100000743101_100000692101 [1,1,0,0,0,0|2,0,0]=4 1331 B11R0.11 C#CCCC(=O)N(C)CCOC 240690a_100000743101_100000692101 [1,1,0,0,0,0|2,0,0]=4 1332 B11R0.11 C#CCCC(=O)N(C)CCOC 527a_100000743101_100000692101 [1,1,0,0,0,0|2,0,0]=4 1333 B11R0.11 C#CCCC(=O)N(C)CCSC 11a_100000686725_100000692101 [1,1,0,0,0,0|2,0,0]=4 1334 B11R0.11 C#CCCC(=O)N(C)CCSC 1626a_100000686725_100000692101 [1,1,0,0,0,0|2,0,0]=4 1335 B11R0.11 C#CCCC(=O)N(C)CCSC 240690a_100000686725_100000692101 [1,1,0,0,0,0|2,0,0]=4 1336 B11R0.11 C#CCCC(=O)N(C)CCSC 527a_100000686725_100000692101 [1,1,0,0,0,0|2,0,0]=4 1337 B11R0.11 C#CCNC(=O)C(C)CCCC 11a_100000212058_100000725509 [1,1,0,0,0,0|2,0,0]=4 1338 B11R0.11 C#CCNC(=O)C(C)CCCC 1626a_100000212058_100000725509 [1,1,0,0,0,0|2,0,0]=4 1339 B11R0.11 C#CCNC(=O)C(C)CCCC 240690a_100000212058_100000725509 [1,1,0,0,0,0|2,0,0]=4 1340 B11R0.11 C#CCNC(=O)C(C)CCCC 527a_100000212058_100000725509 [1,1,0,0,0,0|2,0,0]=4 1341 B11R0.11 C#CCNC(=O)C(O)CCCC 240690a_100000212058_100000720857 [1,1,0,0,0,0|2,0,0]=4 1342 B11R0.11 C#CCNC(=O)C(O)CCCC 527a_100000212058_100000720857 [1,1,0,0,0,0|2,0,0]=4 1343 B11R0.11 C#CCNC(=O)N(C)CCCC 2708a_100000212058_100000207549 [1,1,0,0,0,0|1,0,0]=3 1344 B11R0.11 C#CCNC(=O)N(C)CCCC 273464a_100000212058_100000207549 [1,1,0,0,0,0|1,0,0]=3 1345 B11R0.11 C#CCNC(=O)N(C)CCCO 2708a_100000212058_100000213112 [1,1,0,0,0,0|2,0,0]=4 1346 B11R0.11 C#CCNC(=O)N(C)CCCO 273464a_100000212058_100000213112 [1,1,0,0,0,0|2,0,0]=4 1347 B11R0.11 C#CCNC(=O)N(C)CCOC 2708a_100000212058_100000743101 [1,1,0,0,0,0|2,0,0]=4 1348 B11R0.11 C#CCNC(=O)N(C)CCOC 273464a_100000212058_100000743101 [1,1,0,0,0,0|2,0,0]=4 1349 B11R0.11 C#CCNC(=O)N(C)CCSC 2708a_100000212058_100000686725 [1,1,0,0,0,0|2,0,0]=4 1350 B11R0.11 C#CCNC(=O)N(C)CCSC 273464a_100000212058_100000686725 [1,1,0,0,0,0|2,0,0]=4 1351 B11R0.11 CC#CCC(=O)C(=O)NCCC 1458a_200011297150_100000748600 [1,1,0,0,0,0|2,0,0]=4 1352 B11R0.11 CC#CCC(=O)C(C)CCCC 1458a_100000725509_100000748600 [1,1,0,0,0,0|2,0,0]=4 1353 B11R0.11 CC#CCC(=O)C(O)CCCC 1458a_100000720857_100000748600 [1,1,0,0,0,0|2,0,0]=4 1354 B11R0.11 CCCCN(C)C(=O)CCC#N 11a_100000207549_100011934036 [1,1,0,0,0,0|1,0,1]=4 1355 B11R0.11 CCCCN(C)C(=O)CCC#N 1626a_100000207549_100011934036 [1,1,0,0,0,0|1,0,1]=4 1356 B11R0.11 CCCCN(C)C(=O)CCC#N 240690a_100000207549_100011934036 [1,1,0,0,0,0|1,0,1]=4 1357 B11R0.11 CCCCN(C)C(=O)CCC#N 527a_100000207549_100011934036 [1,1,0,0,0,0|1,0,1]=4 1358 B11R0.11 CCCCN(C)C(=O)NCC#N 2708a_100000734998_100000207549 [1,1,0,0,0,0|2,0,0]=4 1359 B11R0.11 CCCCN(C)C(=O)NCC#N 273464a_100000734998_100000207549 [1,1,0,0,0,0|2,0,0]=4 1360 B11R0.46 CC#CCNC(=O)CCC(C)C 11a_100000685387_100000181311 [1,1,0,0,0,0|2,0,0]=4 1361 B11R0.46 CC#CCNC(=O)CCC(C)C 1626a_100000685387_100000181311 [1,1,0,0,0,0|2,0,0]=4 1362 B11R0.46 CC#CCNC(=O)CCC(C)C 527a_100000685387_100000181311 [1,1,0,0,0,0|2,0,0]=4 1363 B11R0.46 CC#CCNC(=O)CCC(C)O 1626a_100000685387_100000718519 [1,1,0,0,0,0|2,0,0]=4 1364 B11R0.46 CC#CCNC(=O)NCC(C)C 2708a_100000210953_100000685387 [1,1,0,0,0,0|2,0,0]=4 1365 B11R0.46 CC#CCNC(=O)NCC(C)C 273464a_100000210953_100000685387 [1,1,0,0,0,0|2,0,0]=4 1366 B11R0.46 CC#CCNC(=O)NCC(C)C 273464a_100000685387_100000210953 [1,1,0,0,0,0|2,0,0]=4 1367 B11R0.46 CC#CCNC(=O)NCC(C)C 512a_100000210953_100000685387 [1,1,0,0,0,0|2,0,0]=4 1368 B11R0.46 CC#CCNC(=O)NCC(C)C 512a_100000685387_100000210953 [1,1,0,0,0,0|2,0,0]=4 1369 B11R0.46 CC#CCNC(=O)NCC(C)O 273464a_100000210904_100000685387 [1,1,0,0,0,0|2,0,0]=4 1370 B11R0.46 CC#CCNC(=O)NCC(C)O 273464a_100000685387_100000210904 [1,1,0,0,0,0|2,0,0]=4 1371 B11R0.46 CC#CCNC(=O)NCC(C)O 512a_100000210904_100000685387 [1,1,0,0,0,0|2,0,0]=4 1372 B11R0.46 CC#CCNC(=O)NCC(C)O 512a_100000685387_100000210904 [1,1,0,0,0,0|2,0,0]=4 1373 B11R0.70 C#CCCC(=O)CCC(C)CC 1458a_100000701222_100000753159 [1,1,0,0,0,0|2,0,0]=4 1374 B11R0.70 C#CCCC(=O)NCC(C)CC 11a_100020588543_100000692101 [1,1,0,0,0,0|1,0,0]=3 1375 B11R0.70 C#CCCC(=O)NCC(C)CC 1626a_100020588543_100000692101 [1,1,0,0,0,0|1,0,0]=3 1376 B11R0.70 C#CCCC(=O)NCC(C)CC 240690a_100020588543_100000692101 [1,1,0,0,0,0|1,0,0]=3 1377 B11R0.70 C#CCCC(=O)NCC(C)CC 527a_100020588543_100000692101 [1,1,0,0,0,0|1,0,0]=3 1378 B11R0.70 C#CCCC(=O)NCC(C)CO 240690a_100000744482_100000692101 [1,1,0,0,0,0|2,0,0]=4 1379 B11R0.70 C#CCCC(=O)NCC(C)CO 527a_100000744482_100000692101 [1,1,0,0,0,0|2,0,0]=4 1380 B11R0.70 C#CCCC(=O)NCC(O)CC 11a_100011218483_100000692101 [1,1,0,0,0,0|1,0,0]=3 1381 B11R0.70 C#CCCC(=O)NCC(O)CC 240690a_100011218483_100000692101 [1,1,0,0,0,0|1,0,0]=3 1382 B11R0.70 C#CCCC(=O)NCC(O)CC 527a_100011218483_100000692101 [1,1,0,0,0,0|1,0,0]=3 1383 B11R0.70 C#CCCC(=O)NC[C@@H](C)OC 11a_100020591295_100000692101 [1,1,0,0,0,0|2,0,0]=4 1384 B11R0.70 C#CCCC(=O)NC[C@@H](C)OC 1626a_100020591295_100000692101 [1,1,0,0,0,0|2,0,0]=4 1385 B11R0.70 C#CCCC(=O)NC[C@@H](C)OC 240690a_100020591295_100000692101 [1,1,0,0,0,0|2,0,0]=4 1386 B11R0.70 C#CCCC(=O)NC[C@@H](C)OC 527a_100020591295_100000692101 [1,1,0,0,0,0|2,0,0]=4 1387 B11R0.70 C#CCCC(=O)NC[C@@H](F)CO 240690a_100015665980_100000692101 [1,1,0,0,0,0|2,0,0]=4 1388 B11R0.70 C#CCCC(=O)NC[C@@H](F)CO 527a_100015665980_100000692101 [1,1,0,0,0,0|2,0,0]=4 1389 B11R0.70 C#CCCC(=O)NC[C@H](O)CO 240690a_100020644852_100000692101 [1,1,0,0,0,0|2,0,0]=4 1390 B11R0.70 C#CCCC(=O)NC[C@H](O)CO 527a_100020644852_100000692101 [1,1,0,0,0,0|2,0,0]=4 1391 B11R0.70 C#CCCC(=O)NNC(C)CC 22a_100000718999_100000692101 [1,1,0,0,0,0|2,0,0]=4 1392 B11R0.70 C#CCNC(=O)CCC(C)CC 11a_100000212058_100000701222 [1,1,0,0,0,0|2,0,0]=4 1393 B11R0.70 C#CCNC(=O)CCC(C)CC 1626a_100000212058_100000701222 [1,1,0,0,0,0|2,0,0]=4 1394 B11R0.70 C#CCNC(=O)CCC(C)CC 240690a_100000212058_100000701222 [1,1,0,0,0,0|2,0,0]=4 1395 B11R0.70 C#CCNC(=O)CCC(C)CC 527a_100000212058_100000701222 [1,1,0,0,0,0|2,0,0]=4 1396 B11R0.70 C#CCNC(=O)CCC(O)CC 1626a_100000212058_203496584001 [1,1,0,0,0,0|2,0,0]=4 1397 B11R0.70 C#CCNC(=O)CCC(O)CC 240690a_100000212058_203496584001 [1,1,0,0,0,0|2,0,0]=4 1398 B11R0.70 C#CCNC(=O)NCC(C)CC 2708a_100000212058_100020588543 [1,1,0,0,0,0|1,0,0]=3 1399 B11R0.70 C#CCNC(=O)NCC(C)CC 2708a_100020588543_100000212058 [1,1,0,0,0,0|1,0,0]=3 1400 B11R0.70 C#CCNC(=O)NCC(C)CC 273464a_100000212058_100020588543 [1,1,0,0,0,0|1,0,0]=3 1401 B11R0.70 C#CCNC(=O)NCC(C)CC 273464a_100020588543_100000212058 [1,1,0,0,0,0|1,0,0]=3 1402 B11R0.70 C#CCNC(=O)NCC(C)CC 512a_100000212058_100020588543 [1,1,0,0,0,0|1,0,0]=3 1403 B11R0.70 C#CCNC(=O)NCC(C)CC 512a_100020588543_100000212058 [1,1,0,0,0,0|1,0,0]=3 1404 B11R0.70 C#CCNC(=O)NCC(C)CO 2708a_100000212058_100000744482 [1,1,0,0,0,0|2,0,0]=4 1405 B11R0.70 C#CCNC(=O)NCC(C)CO 273464a_100000212058_100000744482 [1,1,0,0,0,0|2,0,0]=4 1406 B11R0.70 C#CCNC(=O)NCC(C)CO 273464a_100000744482_100000212058 [1,1,0,0,0,0|2,0,0]=4 1407 B11R0.70 C#CCNC(=O)NCC(C)CO 512a_100000212058_100000744482 [1,1,0,0,0,0|2,0,0]=4 1408 B11R0.70 C#CCNC(=O)NCC(C)CO 512a_100000744482_100000212058 [1,1,0,0,0,0|2,0,0]=4 1409 B11R0.70 C#CCNC(=O)NCC(O)CC 2708a_100000212058_100011218483 [1,1,0,0,0,0|1,0,0]=3 1410 B11R0.70 C#CCNC(=O)NCC(O)CC 273464a_100000212058_100011218483 [1,1,0,0,0,0|1,0,0]=3 1411 B11R0.70 C#CCNC(=O)NCC(O)CC 273464a_100011218483_100000212058 [1,1,0,0,0,0|1,0,0]=3 1412 B11R0.70 C#CCNC(=O)NCC(O)CC 512a_100011218483_100000212058 [1,1,0,0,0,0|1,0,0]=3 1413 B11R0.70 C#CCNC(=O)NC[C@@H](C)OC 2708a_100000212058_100020591295 [1,1,0,0,0,0|2,0,0]=4 1414 B11R0.70 C#CCNC(=O)NC[C@@H](C)OC 2708a_100020591295_100000212058 [1,1,0,0,0,0|2,0,0]=4 1415 B11R0.70 C#CCNC(=O)NC[C@@H](C)OC 273464a_100000212058_100020591295 [1,1,0,0,0,0|2,0,0]=4 1416 B11R0.70 C#CCNC(=O)NC[C@@H](C)OC 273464a_100020591295_100000212058 [1,1,0,0,0,0|2,0,0]=4 1417 B11R0.70 C#CCNC(=O)NC[C@@H](C)OC 512a_100000212058_100020591295 [1,1,0,0,0,0|2,0,0]=4 1418 B11R0.70 C#CCNC(=O)NC[C@@H](C)OC 512a_100020591295_100000212058 [1,1,0,0,0,0|2,0,0]=4 1419 B11R0.70 C#CCNC(=O)NC[C@@H](F)CO 2708a_100000212058_100015665980 [1,1,0,0,0,0|2,0,0]=4 1420 B11R0.70 C#CCNC(=O)NC[C@@H](F)CO 273464a_100000212058_100015665980 [1,1,0,0,0,0|2,0,0]=4 1421 B11R0.70 C#CCNC(=O)NC[C@@H](F)CO 273464a_100015665980_100000212058 [1,1,0,0,0,0|2,0,0]=4 1422 B11R0.70 C#CCNC(=O)NC[C@@H](F)CO 512a_100000212058_100015665980 [1,1,0,0,0,0|2,0,0]=4 1423 B11R0.70 C#CCNC(=O)NC[C@@H](F)CO 512a_100015665980_100000212058 [1,1,0,0,0,0|2,0,0]=4 1424 B11R0.70 C#CCNC(=O)NC[C@H](O)CO 2708a_100000212058_100020644852 [1,1,0,0,0,0|2,0,0]=4 1425 B11R0.70 C#CCNC(=O)NC[C@H](O)CO 273464a_100000212058_100020644852 [1,1,0,0,0,0|2,0,0]=4 1426 B11R0.70 C#CCNC(=O)NC[C@H](O)CO 273464a_100020644852_100000212058 [1,1,0,0,0,0|2,0,0]=4 1427 B11R0.70 C#CCNC(=O)NNC(C)CC 273464a_100000212058_100000718999 [1,1,0,0,0,0|2,0,0]=4 1428 B11R0.70 C#CCNC(=O)NNC(C)CC 512a_100000212058_100000718999 [1,1,0,0,0,0|2,0,0]=4 1429 B11R0.70 C#CCNC(=O)NNC(C)CC 512a_100000718999_100000212058 [1,1,0,0,0,0|2,0,0]=4 1430 B11R0.70 CC#CCC(=O)CCC(C)CC 1458a_100000701222_100000748600 [1,1,0,0,0,0|2,0,0]=4 1431 B11R0.70 CCC(C)CNC(=O)CCC#N 11a_100020588543_100011934036 [1,1,0,0,0,0|1,0,1]=4 1432 B11R0.70 CCC(C)CNC(=O)CCC#N 1626a_100020588543_100011934036 [1,1,0,0,0,0|1,0,1]=4 1433 B11R0.70 CCC(C)CNC(=O)CCC#N 240690a_100020588543_100011934036 [1,1,0,0,0,0|1,0,1]=4 1434 B11R0.70 CCC(C)CNC(=O)CCC#N 527a_100020588543_100011934036 [1,1,0,0,0,0|1,0,1]=4 1435 B11R0.70 CCC(C)CNC(=O)NCC#N 2708a_100000734998_100020588543 [1,1,0,0,0,0|2,0,0]=4 1436 B11R0.70 CCC(C)CNC(=O)NCC#N 273464a_100000734998_100020588543 [1,1,0,0,0,0|2,0,0]=4 1437 B11R0.70 CCC(C)CNC(=O)NCC#N 273464a_100020588543_100000734998 [1,1,0,0,0,0|2,0,0]=4 1438 B11R0.70 CCC(C)CNC(=O)NCC#N 512a_100000734998_100020588543 [1,1,0,0,0,0|2,0,0]=4 1439 B11R0.70 CCC(C)CNC(=O)NCC#N 512a_100020588543_100000734998 [1,1,0,0,0,0|2,0,0]=4 1440 B11R0.70 CCC(O)CNC(=O)CCC#N 11a_100011218483_100011934036 [1,1,0,0,0,0|1,0,1]=4 1441 B11R0.70 CCC(O)CNC(=O)CCC#N 240690a_100011218483_100011934036 [1,1,0,0,0,0|1,0,1]=4 1442 B11R0.70 CCC(O)CNC(=O)CCC#N 527a_100011218483_100011934036 [1,1,0,0,0,0|1,0,1]=4 1443 B11R0.70 CCC(O)CNC(=O)NCC#N 2708a_100000734998_100011218483 [1,1,0,0,0,0|2,0,0]=4 1444 B11R0.70 CCC(O)CNC(=O)NCC#N 273464a_100000734998_100011218483 [1,1,0,0,0,0|2,0,0]=4 1445 B11R0.70 CCC(O)CNC(=O)NCC#N 273464a_100011218483_100000734998 [1,1,0,0,0,0|2,0,0]=4 1446 B11R0.70 CCC(O)CNC(=O)NCC#N 512a_100011218483_100000734998 [1,1,0,0,0,0|2,0,0]=4 1447 B11R0.147 C#CCCC(=O)CCCC(C)C 1458a_100000692101_100011214892 [1,1,0,0,0,0|2,0,0]=4 1448 B11R0.147 C#CCCC(=O)CCCC(C)C 1458a_100011216857_100000753159 [1,1,0,0,0,0|2,0,0]=4 1449 B11R0.147 C#CCCC(=O)CCCC(C)O 1458a_100000692101_200000718107 [1,1,0,0,0,0|2,0,0]=4 1450 B11R0.147 C#CCCC(=O)NCCC(C)C 11a_100000210545_100000692101 [1,1,0,0,0,0|1,0,0]=3 1451 B11R0.147 C#CCCC(=O)NCCC(C)C 1626a_100000210545_100000692101 [1,1,0,0,0,0|1,0,0]=3 1452 B11R0.147 C#CCCC(=O)NCCC(C)C 240690a_100000210545_100000692101 [1,1,0,0,0,0|1,0,0]=3 1453 B11R0.147 C#CCCC(=O)NCCC(C)C 527a_100000210545_100000692101 [1,1,0,0,0,0|1,0,0]=3 1454 B11R0.147 C#CCCC(=O)NCCC(C)O 240690a_200000755665_100000692101 [1,1,0,0,0,0|1,0,0]=3 1455 B11R0.147 C#CCCC(=O)NCCC(C)O 527a_200000755665_100000692101 [1,1,0,0,0,0|1,0,0]=3 1456 B11R0.147 C#CCCC(=O)NCCN(C)C 240690a_100000210585_100000692101 [1,1,0,0,0,0|2,0,0]=4 1457 B11R0.147 C#CCCC(=O)NCCN(C)C 527a_100000210585_100000692101 [1,1,0,0,0,0|2,0,0]=4 1458 B11R0.147 C#CCCC(=O)NNCC(C)C 22a_100000696102_100000692101 [1,1,0,0,0,0|2,0,0]=4 1459 B11R0.147 C#CCCC(=O)NNCC(C)O 22a_200000730056_100000692101 [1,1,0,0,0,0|2,0,0]=4 1460 B11R0.147 C#CCNC(=O)CCCC(C)C 11a_100000212058_100011216857 [1,1,0,0,0,0|2,0,0]=4 1461 B11R0.147 C#CCNC(=O)CCCC(C)C 1626a_100000212058_100011216857 [1,1,0,0,0,0|2,0,0]=4 1462 B11R0.147 C#CCNC(=O)CCCC(C)C 240690a_100000212058_100011216857 [1,1,0,0,0,0|2,0,0]=4 1463 B11R0.147 C#CCNC(=O)CCCC(C)C 527a_100000212058_100011216857 [1,1,0,0,0,0|2,0,0]=4 1464 B11R0.147 C#CCNC(=O)CCCC(C)O 1626a_100000212058_100000761597 [1,1,0,0,0,0|2,0,0]=4 1465 B11R0.147 C#CCNC(=O)CCCC(C)O 527a_100000212058_100000761597 [1,1,0,0,0,0|2,0,0]=4 1466 B11R0.147 C#CCNC(=O)NCCC(C)C 2708a_100000210545_100000212058 [1,1,0,0,0,0|1,0,0]=3 1467 B11R0.147 C#CCNC(=O)NCCC(C)C 2708a_100000212058_100000210545 [1,1,0,0,0,0|1,0,0]=3 1468 B11R0.147 C#CCNC(=O)NCCC(C)C 273464a_100000210545_100000212058 [1,1,0,0,0,0|1,0,0]=3 1469 B11R0.147 C#CCNC(=O)NCCC(C)C 273464a_100000212058_100000210545 [1,1,0,0,0,0|1,0,0]=3 1470 B11R0.147 C#CCNC(=O)NCCC(C)C 512a_100000210545_100000212058 [1,1,0,0,0,0|1,0,0]=3 1471 B11R0.147 C#CCNC(=O)NCCC(C)C 512a_100000212058_100000210545 [1,1,0,0,0,0|1,0,0]=3 1472 B11R0.147 C#CCNC(=O)NCCC(C)O 2708a_100000212058_200000755665 [1,1,0,0,0,0|1,0,0]=3 1473 B11R0.147 C#CCNC(=O)NCCC(C)O 273464a_200000755665_100000212058 [1,1,0,0,0,0|1,0,0]=3 1474 B11R0.147 C#CCNC(=O)NCCC(C)O 512a_100000212058_200000755665 [1,1,0,0,0,0|1,0,0]=3 1475 B11R0.147 C#CCNC(=O)NCCC(C)O 512a_200000755665_100000212058 [1,1,0,0,0,0|1,0,0]=3 1476 B11R0.147 C#CCNC(=O)NCCN(C)C 2708a_100000212058_100000210585 [1,1,0,0,0,0|2,0,0]=4 1477 B11R0.147 C#CCNC(=O)NCCN(C)C 273464a_100000210585_100000212058 [1,1,0,0,0,0|2,0,0]=4 1478 B11R0.147 C#CCNC(=O)NCCN(C)C 273464a_100000212058_100000210585 [1,1,0,0,0,0|2,0,0]=4 1479 B11R0.147 C#CCNC(=O)NCCN(C)C 512a_100000212058_100000210585 [1,1,0,0,0,0|2,0,0]=4 1480 B11R0.147 C#CCNC(=O)NNCC(C)C 273464a_100000212058_100000696102 [1,1,0,0,0,0|2,0,0]=4 1481 B11R0.147 C#CCNC(=O)NNCC(C)C 512a_100000212058_100000696102 [1,1,0,0,0,0|2,0,0]=4 1482 B11R0.147 C#CCNC(=O)NNCC(C)C 512a_100000696102_100000212058 [1,1,0,0,0,0|2,0,0]=4 1483 B11R0.147 C#CCNC(=O)NNCC(C)O 512a_100000212058_200000730056 [1,1,0,0,0,0|2,0,0]=4 1484 B11R0.147 C#CCNC(=O)NNCC(C)O 512a_200000730056_100000212058 [1,1,0,0,0,0|2,0,0]=4 1485 B11R0.147 CC#CCC(=O)CCCC(C)C 1458a_100011216857_100000748600 [1,1,0,0,0,0|2,0,0]=4 1486 B11R0.147 CC(C)CCNC(=O)CCC#N 11a_100000210545_100011934036 [1,1,0,0,0,0|1,0,1]=4 1487 B11R0.147 CC(C)CCNC(=O)CCC#N 1626a_100000210545_100011934036 [1,1,0,0,0,0|1,0,1]=4 1488 B11R0.147 CC(C)CCNC(=O)CCC#N 240690a_100000210545_100011934036 [1,1,0,0,0,0|1,0,1]=4 1489 B11R0.147 CC(C)CCNC(=O)CCC#N 527a_100000210545_100011934036 [1,1,0,0,0,0|1,0,1]=4 1490 B11R0.147 CC(C)CCNC(=O)NCC#N 2708a_100000734998_100000210545 [1,1,0,0,0,0|2,0,0]=4 1491 B11R0.147 CC(C)CCNC(=O)NCC#N 273464a_100000210545_100000734998 [1,1,0,0,0,0|2,0,0]=4 1492 B11R0.147 CC(C)CCNC(=O)NCC#N 273464a_100000734998_100000210545 [1,1,0,0,0,0|2,0,0]=4 1493 B11R0.147 CC(C)CCNC(=O)NCC#N 512a_100000210545_100000734998 [1,1,0,0,0,0|2,0,0]=4 1494 B11R0.147 CC(C)CCNC(=O)NCC#N 512a_100000734998_100000210545 [1,1,0,0,0,0|2,0,0]=4 1495 B11R0.147 CC(O)CCNC(=O)CCC#N 240690a_200000755665_100011934036 [1,1,0,0,0,0|1,0,1]=4 1496 B11R0.147 CC(O)CCNC(=O)CCC#N 527a_200000755665_100011934036 [1,1,0,0,0,0|1,0,1]=4 1497 B11R0.147 CC(O)CCNC(=O)NCC#N 2708a_100000734998_200000755665 [1,1,0,0,0,0|2,0,0]=4 1498 B11R0.147 CC(O)CCNC(=O)NCC#N 273464a_200000755665_100000734998 [1,1,0,0,0,0|2,0,0]=4 1499 B11R0.147 CC(O)CCNC(=O)NCC#N 512a_100000734998_200000755665 [1,1,0,0,0,0|2,0,0]=4 1500 B11R0.147 CC(O)CCNC(=O)NCC#N 512a_200000755665_100000734998 [1,1,0,0,0,0|2,0,0]=4 1501 B11R0.154 C#CC(=O)CC(=O)NCCCC 1458a_100000211873_100000182744 [1,1,0,0,0,0|1,0,1]=4 1502 B11R0.154 C#CC(C)NC(=O)CCCCC 11a_100000707721_100000212188 [1,1,0,0,0,0|2,0,0]=4 1503 B11R0.154 C#CC(C)NC(=O)CCCCC 1626a_100000707721_100000212188 [1,1,0,0,0,0|2,0,0]=4 1504 B11R0.154 C#CC(C)NC(=O)CCCCC 240690a_100000707721_100000212188 [1,1,0,0,0,0|2,0,0]=4 1505 B11R0.154 C#CC(C)NC(=O)CCCCC 527a_100000707721_100000212188 [1,1,0,0,0,0|2,0,0]=4 1506 B11R0.154 C#CC(C)NC(=O)NCCCC 2708a_100000102301_100000707721 [1,1,0,0,0,0|1,0,0]=3 1507 B11R0.154 C#CC(C)NC(=O)NCCCC 2708a_100000707721_100000102301 [1,1,0,0,0,0|1,0,0]=3 1508 B11R0.154 C#CC(C)NC(=O)NCCCC 273464a_100000102301_100000707721 [1,1,0,0,0,0|1,0,0]=3 1509 B11R0.154 C#CC(C)NC(=O)NCCCC 273464a_100000707721_100000102301 [1,1,0,0,0,0|1,0,0]=3 1510 B11R0.154 C#CC(C)NC(=O)NCCCC 512a_100000102301_100000707721 [1,1,0,0,0,0|1,0,0]=3 1511 B11R0.154 C#CC(C)NC(=O)NCCCC 512a_100000707721_100000102301 [1,1,0,0,0,0|1,0,0]=3 1512 B11R0.154 C#CC(C)NC(=O)NCCCF 2708a_100000707721_100015189416 [1,1,0,0,0,0|2,0,0]=4 1513 B11R0.154 C#CC(C)NC(=O)NCCCF 2708a_100015189416_100000707721 [1,1,0,0,0,0|2,0,0]=4 1514 B11R0.154 C#CC(C)NC(=O)NCCCF 273464a_100000707721_100015189416 [1,1,0,0,0,0|2,0,0]=4 1515 B11R0.154 C#CC(C)NC(=O)NCCCF 273464a_100015189416_100000707721 [1,1,0,0,0,0|2,0,0]=4 1516 B11R0.154 C#CC(C)NC(=O)NCCCF 512a_100000707721_100015189416 [1,1,0,0,0,0|2,0,0]=4 1517 B11R0.154 C#CC(C)NC(=O)NCCCF 512a_100015189416_100000707721 [1,1,0,0,0,0|2,0,0]=4 1518 B11R0.154 C#CC(C)NC(=O)NCCCO 2708a_100000707721_100000182051 [1,1,0,0,0,0|2,0,0]=4 1519 B11R0.154 C#CC(C)NC(=O)NCCCO 273464a_100000182051_100000707721 [1,1,0,0,0,0|2,0,0]=4 1520 B11R0.154 C#CC(C)NC(=O)NCCCO 273464a_100000707721_100000182051 [1,1,0,0,0,0|2,0,0]=4 1521 B11R0.154 C#CC(C)NC(=O)NCCCO 512a_100000707721_100000182051 [1,1,0,0,0,0|2,0,0]=4 1522 B11R0.154 C#CC(C)NC(=O)NCCOC 2708a_100000707721_100000209980 [1,1,0,0,0,0|2,0,0]=4 1523 B11R0.154 C#CC(C)NC(=O)NCCOC 273464a_100000209980_100000707721 [1,1,0,0,0,0|2,0,0]=4 1524 B11R0.154 C#CC(C)NC(=O)NCCOC 273464a_100000707721_100000209980 [1,1,0,0,0,0|2,0,0]=4 1525 B11R0.154 C#CC(C)NC(=O)NCCSC 2708a_100000707721_100020590264 [1,1,0,0,0,0|2,0,0]=4 1526 B11R0.154 C#CC(C)NC(=O)NCCSC 2708a_100020590264_100000707721 [1,1,0,0,0,0|2,0,0]=4 1527 B11R0.154 C#CC(C)NC(=O)NCCSC 273464a_100000707721_100020590264 [1,1,0,0,0,0|2,0,0]=4 1528 B11R0.154 C#CC(C)NC(=O)NCCSC 273464a_100020590264_100000707721 [1,1,0,0,0,0|2,0,0]=4 1529 B11R0.154 C#CC(C)NC(=O)NCCSC 512a_100000707721_100020590264 [1,1,0,0,0,0|2,0,0]=4 1530 B11R0.154 C#CC(C)NC(=O)NCCSC 512a_100020590264_100000707721 [1,1,0,0,0,0|2,0,0]=4 1531 B11R0.154 C#CC(C)NC(=O)NNCCC 273464a_100000707721_100000740057 [1,1,0,0,0,0|2,0,0]=4 1532 B11R0.154 C#CC(C)NC(=O)NNCCC 512a_100000707721_100000740057 [1,1,0,0,0,0|2,0,0]=4 1533 B11R0.154 C#CC(C)NC(=O)NNCCC 512a_100000740057_100000707721 [1,1,0,0,0,0|2,0,0]=4 1534 B11R0.154 CC#CCNC(=O)CC(C)CC 11a_100000685387_100000708755 [1,1,0,0,0,0|2,0,0]=4 1535 B11R0.154 CC#CCNC(=O)CC(C)CC 1626a_100000685387_100000708755 [1,1,0,0,0,0|2,0,0]=4 1536 B11R0.154 CC#CCNC(=O)CC(C)CC 527a_100000685387_100000708755 [1,1,0,0,0,0|2,0,0]=4 1537 B11R0.154 CC#CCNC(=O)CC(O)CC 1626a_100000685387_100011667805 [1,1,0,0,0,0|2,0,0]=4 1538 B11R0.154 CC#CCNC(=O)NC(C)CC 2708a_100000209981_100000685387 [1,1,0,0,0,0|2,0,0]=4 1539 B11R0.154 CC#CCNC(=O)NC(C)CC 273464a_100000209981_100000685387 [1,1,0,0,0,0|2,0,0]=4 1540 B11R0.154 CC#CCNC(=O)NC(C)CC 273464a_100000685387_100000209981 [1,1,0,0,0,0|2,0,0]=4 1541 B11R0.154 CC#CCNC(=O)NC(C)CC 512a_100000209981_100000685387 [1,1,0,0,0,0|2,0,0]=4 1542 B11R0.154 CC#CCNC(=O)NC(C)CC 512a_100000685387_100000209981 [1,1,0,0,0,0|2,0,0]=4 1543 B11R0.154 CCCCNC(=O)NC(C)C#N 2708a_100000102301_100000737613 [1,1,0,0,0,0|2,0,0]=4 1544 B11R0.154 CCCCNC(=O)NC(C)C#N 2708a_100000737613_100000102301 [1,1,0,0,0,0|2,0,0]=4 1545 B11R0.154 CCCCNC(=O)NC(C)C#N 273464a_100000102301_100000737613 [1,1,0,0,0,0|2,0,0]=4 1546 B11R0.154 CCCCNC(=O)NC(C)C#N 273464a_100000737613_100000102301 [1,1,0,0,0,0|2,0,0]=4 1547 B11R0.154 CCCCNC(=O)NC(C)C#N 512a_100000102301_100000737613 [1,1,0,0,0,0|2,0,0]=4 1548 B11R0.154 CCCCNC(=O)NC(C)C#N 512a_100000737613_100000102301 [1,1,0,0,0,0|2,0,0]=4 1549 B11R0.155 C#CCN(C)C(=O)CCCCC 11a_100000225692_100000212188 [1,1,0,0,0,0|2,0,0]=4 1550 B11R0.155 C#CCN(C)C(=O)CCCCC 1626a_100000225692_100000212188 [1,1,0,0,0,0|2,0,0]=4 1551 B11R0.155 C#CCN(C)C(=O)CCCCC 527a_100000225692_100000212188 [1,1,0,0,0,0|2,0,0]=4 1552 B11R0.155 C#CCN(C)C(=O)NCCCC 2708a_100000102301_100000225692 [1,1,0,0,0,0|1,0,0]=3 1553 B11R0.155 C#CCN(C)C(=O)NCCCC 273464a_100000102301_100000225692 [1,1,0,0,0,0|1,0,0]=3 1554 B11R0.155 C#CCN(C)C(=O)NCCCF 2708a_100015189416_100000225692 [1,1,0,0,0,0|2,0,0]=4 1555 B11R0.155 C#CCN(C)C(=O)NCCCF 273464a_100015189416_100000225692 [1,1,0,0,0,0|2,0,0]=4 1556 B11R0.155 C#CCN(C)C(=O)NCCCO 273464a_100000182051_100000225692 [1,1,0,0,0,0|2,0,0]=4 1557 B11R0.155 C#CCN(C)C(=O)NCCOC 273464a_100000209980_100000225692 [1,1,0,0,0,0|2,0,0]=4 1558 B11R0.155 C#CCN(C)C(=O)NCCSC 2708a_100020590264_100000225692 [1,1,0,0,0,0|2,0,0]=4 1559 B11R0.155 C#CCN(C)C(=O)NCCSC 273464a_100020590264_100000225692 [1,1,0,0,0,0|2,0,0]=4 1560 B11R0.155 CC#CCNC(=O)C(C)CCC 11a_100000685387_100000210906 [1,1,0,0,0,0|2,0,0]=4 1561 B11R0.155 CC#CCNC(=O)C(C)CCC 1626a_100000685387_100000210906 [1,1,0,0,0,0|2,0,0]=4 1562 B11R0.155 CC#CCNC(=O)C(C)CCC 527a_100000685387_100000210906 [1,1,0,0,0,0|2,0,0]=4 1563 B11R0.155 CC#CCNC(=O)N(C)CCC 273464a_100000685387_100000747261 [1,1,0,0,0,0|2,0,0]=4 1564 B11R0.155 CCCCNC(=O)N(C)CC#N 273464a_100000102301_100000748184 [1,1,0,0,0,0|2,0,0]=4 1565 B13R0.165 C#CCCOCC(=O)NCCCCC 34a_100011215631_100000230301 [0,2,0,0,0,0|1,0,1]=4 1566 B13R0.165 C#CCCOCC(=O)NCCCOC 34a_100011215631_100000183178 [0,2,0,0,0,0|1,0,1]=4 1567 B13R0.165 CC#CCNCC(=O)NCCCCC 2230a_100000685387_100000230301 [0,2,0,0,0,0|2,0,0]=4 1568 B13R0.165 CC#CCNCC(=O)NCCCCC 34a_100000685387_100000230301 [0,2,0,0,0,0|2,0,0]=4 1569 B13R0.165 CC#CCNCC(=O)NCCCOC 2230a_100000685387_100000183178 [0,2,0,0,0,0|2,0,0]=4 1570 B13R0.165 CC#CCNCC(=O)NCCCOC 34a_100000685387_100000183178 [0,2,0,0,0,0|2,0,0]=4 1571 B13R0.165 CC#CCOCC(=O)NCCCCC 34a_100000761923_100000230301 [0,2,0,0,0,0|1,0,0]=3 1572 B13R0.165 CC#CCOCC(=O)NCCCOC 34a_100000761923_100000183178 [0,2,0,0,0,0|1,0,0]=3 1573 B13R0.165 CC#CCOCC(=O)OCCOCC 34a_100000761923_200000101388 [0,2,0,0,0,0|2,0,0]=4 1574 B13R0.165 CC#CCSCC(=O)NCCCCC 62a_100000230301_100000748600 [0,2,0,0,0,0|1,1,0]=4 1575 B13R0.165 CC#CCSCC(=O)NCCCCC 62a_100000748600_100000230301 [0,2,0,0,0,0|1,1,0]=4 1576 B13R0.165 CC#CCSCC(=O)NCCCOC 62a_100000183178_100000748600 [0,2,0,0,0,0|1,1,0]=4 1577 B13R0.188 CC#CCNC(=O)NCCCC(C)C 2708a_200000737386_100000685387 [0,2,0,0,0,0|2,0,0]=4 1578 B13R0.188 CC#CCNC(=O)NCCCC(C)C 273464a_100000685387_200000737386 [0,2,0,0,0,0|2,0,0]=4 1579 B13R0.188 CC#CCNC(=O)NCCCC(C)C 273464a_200000737386_100000685387 [0,2,0,0,0,0|2,0,0]=4 1580 B13R0.188 CC#CCNC(=O)NCCCC(C)C 512a_100000685387_200000737386 [0,2,0,0,0,0|2,0,0]=4 1581 B13R0.188 CC#CCNC(=O)NCCCC(C)C 512a_200000737386_100000685387 [0,2,0,0,0,0|2,0,0]=4 1582 B13R0.188 CC#CCNC(=O)NCCCN(C)C 273464a_100000685387_102531767803 [0,2,0,0,0,0|2,0,0]=4 1583 B13R0.188 CC#CCNC(=O)NCCCN(C)C 273464a_102531767803_100000685387 [0,2,0,0,0,0|2,0,0]=4 1584 B13R0.188 CC#CCNC(=O)NCCCN(C)C 512a_100000685387_102531767803 [0,2,0,0,0,0|2,0,0]=4 1585 B13R0.188 CC#CCNC(=O)NCCCN(C)C 512a_102531767803_100000685387 [0,2,0,0,0,0|2,0,0]=4 1586 B13R0.188 CC#CCNC(=O)NCCCS(=O)C 2708a_200000753449_100000685387 [0,2,0,0,0,0|2,0,0]=4 1587 B13R0.188 CC#CCNC(=O)NCCCS(=O)C 273464a_100000685387_200000753449 [0,2,0,0,0,0|2,0,0]=4 1588 B13R0.188 CC#CCNC(=O)NCCCS(=O)C 273464a_200000753449_100000685387 [0,2,0,0,0,0|2,0,0]=4 1589 B13R0.188 CC#CCNC(=O)NCCCS(=O)C 512a_100000685387_200000753449 [0,2,0,0,0,0|2,0,0]=4 1590 B13R0.188 CC#CCNC(=O)NCCCS(=O)C 512a_200000753449_100000685387 [0,2,0,0,0,0|2,0,0]=4 1591 B13R0.188 CC#CCNC(=O)NCCOC(C)C 2708a_100000701111_100000685387 [0,2,0,0,0,0|2,0,0]=4 1592 B13R0.188 CC#CCNC(=O)NCCOC(C)C 273464a_100000685387_100000701111 [0,2,0,0,0,0|2,0,0]=4 1593 B13R0.188 CC#CCNC(=O)NCCOC(C)C 273464a_100000701111_100000685387 [0,2,0,0,0,0|2,0,0]=4 1594 B13R0.188 CC#CCNC(=O)NCCOC(C)C 512a_100000685387_100000701111 [0,2,0,0,0,0|2,0,0]=4 1595 B13R0.188 CC#CCNC(=O)NCCOC(C)C 512a_100000701111_100000685387 [0,2,0,0,0,0|2,0,0]=4 1596 B13R0.188 CC#CCNC(=O)NCCSC(C)C 2708a_100000731138_100000685387 [0,2,0,0,0,0|2,0,0]=4 1597 B13R0.188 CC#CCNC(=O)NCCSC(C)C 273464a_100000685387_100000731138 [0,2,0,0,0,0|2,0,0]=4 1598 B13R0.188 CC#CCNC(=O)NCCSC(C)C 273464a_100000731138_100000685387 [0,2,0,0,0,0|2,0,0]=4 1599 B13R0.188 CC#CCNC(=O)NCCSC(C)C 512a_100000685387_100000731138 [0,2,0,0,0,0|2,0,0]=4 1600 B13R0.188 CC#CCNC(=O)NCCSC(C)C 512a_100000731138_100000685387 [0,2,0,0,0,0|2,0,0]=4 1601 B13R0.193 C#CCC(C)OCC(=O)NCCCC 34a_100000685586_100000182744 [0,2,0,0,0,0|1,0,1]=4 1602 B13R0.193 C#CCC(C)OCC(=O)NCCCC 7a_100000685586_100000182744 [0,2,0,0,0,0|1,0,1]=4 1603 B13R0.193 CC#CC(C)OCC(=O)CCCCC 34a_100011216543_200012276598 [0,2,0,0,0,0|2,0,0]=4 1604 B13R0.193 CC#CC(C)OCC(=O)NCCCC 34a_100011216543_100000182744 [0,2,0,0,0,0|1,0,0]=3 1605 B13R0.193 CC#CC(C)OCC(=O)NCCOC 34a_100011216543_100000183275 [0,2,0,0,0,0|2,0,0]=4 1606 B13R0.193 CC#CC(C)OCC(=O)OCCCC 34a_100011216543_100000211628 [0,2,0,0,0,0|2,0,0]=4 1607 B13R0.193 CC#CCNC(=O)NCC(O)COC 273464a_100000685387_100000756049 [0,2,0,0,0,0|2,0,0]=4 1608 B13R0.193 CC#CCNC(=O)NCC(O)COC 273464a_100000756049_100000685387 [0,2,0,0,0,0|2,0,0]=4 1609 B13R0.193 CC#CCNC(=O)NCC(O)COC 512a_100000685387_100000756049 [0,2,0,0,0,0|2,0,0]=4 1610 B13R0.193 CC#CCNC(=O)NCC(O)COC 512a_100000756049_100000685387 [0,2,0,0,0,0|2,0,0]=4 1611 B13R0.194 CC#CCNC(=O)NCCC(C)CC 2708a_100020591266_100000685387 [0,2,0,0,0,0|2,0,0]=4 1612 B13R0.194 CC#CCNC(=O)NCCC(C)CC 273464a_100000685387_100020591266 [0,2,0,0,0,0|2,0,0]=4 1613 B13R0.194 CC#CCNC(=O)NCCC(C)CC 273464a_100020591266_100000685387 [0,2,0,0,0,0|2,0,0]=4 1614 B13R0.194 CC#CCNC(=O)NCCC(C)CC 512a_100000685387_100020591266 [0,2,0,0,0,0|2,0,0]=4 1615 B13R0.194 CC#CCNC(=O)NCCC(C)CC 512a_100020591266_100000685387 [0,2,0,0,0,0|2,0,0]=4 1616 B13R0.194 CC#CCNC(=O)NCCC(C)CO 273464a_100000685387_106354213184 [0,2,0,0,0,0|2,0,0]=4 1617 B13R0.194 CC#CCNC(=O)NCCC(C)CO 273464a_106354213184_100000685387 [0,2,0,0,0,0|2,0,0]=4 1618 B13R0.194 CC#CCNC(=O)NCCC(C)CO 512a_100000685387_106354213184 [0,2,0,0,0,0|2,0,0]=4 1619 B13R0.194 CC#CCNC(=O)NCCC(C)CO 512a_106354213184_100000685387 [0,2,0,0,0,0|2,0,0]=4 1620 B13R0.194 CC#CCNC(=O)NNCC(O)CC 273464a_100000685387_100015206393 [0,2,0,0,0,0|2,0,0]=4 1621 B13R0.194 CC#CCNC(=O)NNCC(O)CC 512a_100000685387_100015206393 [0,2,0,0,0,0|2,0,0]=4 1622 B13R0.194 CC#CCNC(=O)NNCC(O)CC 512a_100015206393_100000685387 [0,2,0,0,0,0|2,0,0]=4 1623 B13R0.195 CC#CCN(C)CC(=O)NCCCC 2230a_200000213093_100000748600 [0,2,0,0,0,0|2,0,0]=4 1624 B13R0.195 CC#CCNC(=O)NC(C)CCCC 2708a_100000126638_100000685387 [0,2,0,0,0,0|2,0,0]=4 1625 B13R0.195 CC#CCNC(=O)NC(C)CCCC 273464a_100000126638_100000685387 [0,2,0,0,0,0|2,0,0]=4 1626 B13R0.195 CC#CCNC(=O)NC(C)CCCC 273464a_100000685387_100000126638 [0,2,0,0,0,0|2,0,0]=4 1627 B13R0.195 CC#CCNC(=O)NC(C)CCCC 512a_100000126638_100000685387 [0,2,0,0,0,0|2,0,0]=4 1628 B13R0.195 CC#CCNC(=O)NC(C)CCCC 512a_100000685387_100000126638 [0,2,0,0,0,0|2,0,0]=4 1629 B13R0.338 C#CCCCCNC(=O)NCC#CC 2708a_100000706060_100000685387 [0,2,0,0,0,0|2,0,0]=4 1630 B13R0.338 C#CCCCCNC(=O)NCC#CC 273464a_100000685387_100000706060 [0,2,0,0,0,0|2,0,0]=4 1631 B13R0.338 C#CCCCCNC(=O)NCC#CC 273464a_100000706060_100000685387 [0,2,0,0,0,0|2,0,0]=4 1632 B13R0.338 C#CCCCCNC(=O)NCC#CC 512a_100000685387_100000706060 [0,2,0,0,0,0|2,0,0]=4 1633 B13R0.338 C#CCCCCNC(=O)NCC#CC 512a_100000706060_100000685387 [0,2,0,0,0,0|2,0,0]=4 1634 B13R0.338 C#CCCCOCC(=O)NCCCC 34a_100000215630_100000182744 [0,2,0,0,0,0|1,0,1]=4 1635 B13R0.338 C#CCCCOCC(=O)NCCCC 7a_100000215630_100000182744 [0,2,0,0,0,0|1,0,1]=4 1636 B13R0.338 C=CCCCCNC(=O)NCC#CC 2708a_100000703577_100000685387 [0,2,0,0,0,0|2,0,0]=4 1637 B13R0.338 C=CCCCCNC(=O)NCC#CC 273464a_100000685387_100000703577 [0,2,0,0,0,0|2,0,0]=4 1638 B13R0.338 C=CCCCCNC(=O)NCC#CC 273464a_100000703577_100000685387 [0,2,0,0,0,0|2,0,0]=4 1639 B13R0.338 C=CCCCCNC(=O)NCC#CC 512a_100000685387_100000703577 [0,2,0,0,0,0|2,0,0]=4 1640 B13R0.338 C=CCCCCNC(=O)NCC#CC 512a_100000703577_100000685387 [0,2,0,0,0,0|2,0,0]=4 1641 B13R0.338 CC#CCCOCC(=O)CCCCC 34a_100000750427_200012276598 [0,2,0,0,0,0|2,0,0]=4 1642 B13R0.338 CC#CCCOCC(=O)NCCCC 34a_100000750427_100000182744 [0,2,0,0,0,0|1,0,0]=3 1643 B13R0.338 CC#CCCOCC(=O)NCCOC 34a_100000750427_100000183275 [0,2,0,0,0,0|2,0,0]=4 1644 B13R0.338 CC#CCCOCC(=O)OCCCC 34a_100000750427_100000211628 [0,2,0,0,0,0|2,0,0]=4 1645 B13R0.338 CC#CCNC(=O)NCCCCC#N 2708a_100000751965_100000685387 [0,2,0,0,0,0|2,0,0]=4 1646 B13R0.338 CC#CCNC(=O)NCCCCC#N 273464a_100000685387_100000751965 [0,2,0,0,0,0|2,0,0]=4 1647 B13R0.338 CC#CCNC(=O)NCCCCC#N 273464a_100000751965_100000685387 [0,2,0,0,0,0|2,0,0]=4 1648 B13R0.338 CC#CCNC(=O)NCCCCC#N 512a_100000685387_100000751965 [0,2,0,0,0,0|2,0,0]=4 1649 B13R0.338 CC#CCNC(=O)NCCCCC#N 512a_100000751965_100000685387 [0,2,0,0,0,0|2,0,0]=4 1650 B13R0.338 CC#CCNC(=O)NCCCCCC 2708a_100000210581_100000685387 [0,2,0,0,0,0|2,0,0]=4 1651 B13R0.338 CC#CCNC(=O)NCCCCCC 273464a_100000210581_100000685387 [0,2,0,0,0,0|2,0,0]=4 1652 B13R0.338 CC#CCNC(=O)NCCCCCC 273464a_100000685387_100000210581 [0,2,0,0,0,0|2,0,0]=4 1653 B13R0.338 CC#CCNC(=O)NCCCCCC 512a_100000210581_100000685387 [0,2,0,0,0,0|2,0,0]=4 1654 B13R0.338 CC#CCNC(=O)NCCCCCC 512a_100000685387_100000210581 [0,2,0,0,0,0|2,0,0]=4 1655 B13R0.338 CC#CCNC(=O)NCCCCCO 273464a_100000685387_100000762737 [0,2,0,0,0,0|2,0,0]=4 1656 B13R0.338 CC#CCNC(=O)NCCCCCO 273464a_100000762737_100000685387 [0,2,0,0,0,0|2,0,0]=4 1657 B13R0.338 CC#CCNC(=O)NCCCCCO 512a_100000685387_100000762737 [0,2,0,0,0,0|2,0,0]=4 1658 B13R0.338 CC#CCNC(=O)NCCCCCO 512a_100000762737_100000685387 [0,2,0,0,0,0|2,0,0]=4 1659 B13R0.338 CC#CCNC(=O)NCCCOCC 2708a_100000210961_100000685387 [0,2,0,0,0,0|2,0,0]=4 1660 B13R0.338 CC#CCNC(=O)NCCCOCC 273464a_100000210961_100000685387 [0,2,0,0,0,0|2,0,0]=4 1661 B13R0.338 CC#CCNC(=O)NCCCOCC 273464a_100000685387_100000210961 [0,2,0,0,0,0|2,0,0]=4 1662 B13R0.338 CC#CCNC(=O)NCCCOCC 512a_100000210961_100000685387 [0,2,0,0,0,0|2,0,0]=4 1663 B13R0.338 CC#CCNC(=O)NCCCOCC 512a_100000685387_100000210961 [0,2,0,0,0,0|2,0,0]=4 1664 B13R0.338 CC#CCNC(=O)NCCOCCC 2708a_100161115042_100000685387 [0,2,0,0,0,0|2,0,0]=4 1665 B13R0.338 CC#CCNC(=O)NCCOCCC 273464a_100000685387_100161115042 [0,2,0,0,0,0|2,0,0]=4 1666 B13R0.338 CC#CCNC(=O)NCCOCCC 273464a_100161115042_100000685387 [0,2,0,0,0,0|2,0,0]=4 1667 B13R0.338 CC#CCNC(=O)NCCOCCC 512a_100000685387_100161115042 [0,2,0,0,0,0|2,0,0]=4 1668 B13R0.338 CC#CCNC(=O)NCCOCCC 512a_100161115042_100000685387 [0,2,0,0,0,0|2,0,0]=4 1669 B13R0.338 CC#CCNC(=O)NCCOCCO 273464a_100000211614_100000685387 [0,2,0,0,0,0|2,0,0]=4 1670 B13R0.338 CC#CCNC(=O)NCCOCCO 273464a_100000685387_100000211614 [0,2,0,0,0,0|2,0,0]=4 1671 B13R0.338 CC#CCNC(=O)NCCOCCO 512a_100000211614_100000685387 [0,2,0,0,0,0|2,0,0]=4 1672 B13R0.338 CC#CCNC(=O)NCCSCCC 2708a_100020603323_100000685387 [0,2,0,0,0,0|2,0,0]=4 1673 B13R0.338 CC#CCNC(=O)NCCSCCC 273464a_100000685387_100020603323 [0,2,0,0,0,0|2,0,0]=4 1674 B13R0.338 CC#CCNC(=O)NCCSCCC 273464a_100020603323_100000685387 [0,2,0,0,0,0|2,0,0]=4 1675 B13R0.338 CC#CCNC(=O)NCCSCCC 512a_100000685387_100020603323 [0,2,0,0,0,0|2,0,0]=4 1676 B13R0.338 CC#CCNC(=O)NCCSCCC 512a_100020603323_100000685387 [0,2,0,0,0,0|2,0,0]=4 1677 B13R0.338 CC#CCNC(=O)NCCSCCO 273464a_100000685387_100011219999 [0,2,0,0,0,0|2,0,0]=4 1678 B13R0.338 CC#CCNC(=O)NCCSCCO 273464a_100011219999_100000685387 [0,2,0,0,0,0|2,0,0]=4 1679 B13R0.338 CC#CCNC(=O)NCCSCCO 512a_100000685387_100011219999 [0,2,0,0,0,0|2,0,0]=4 1680 B13R0.338 CC#CCNC(=O)NCCSCCO 512a_100011219999_100000685387 [0,2,0,0,0,0|2,0,0]=4 1681 B13R0.338 CC#CCNC(=O)NNCCCCC 273464a_100000685387_100000694160 [0,2,0,0,0,0|2,0,0]=4 1682 B13R0.338 CC#CCNC(=O)NNCCCCC 512a_100000685387_100000694160 [0,2,0,0,0,0|2,0,0]=4 1683 B13R0.338 CC#CCNC(=O)NNCCCCC 512a_100000694160_100000685387 [0,2,0,0,0,0|2,0,0]=4 1684 B13R0.338 CC#CCNC(=O)NNCCCOC 273464a_100000685387_100025702787 [0,2,0,0,0,0|2,0,0]=4 1685 B13R0.338 CC#CCNC(=O)NNCCCOC 512a_100000685387_100025702787 [0,2,0,0,0,0|2,0,0]=4 1686 B13R0.338 CC#CCNC(=O)NNCCOCC 273464a_100000685387_100000732670 [0,2,0,0,0,0|2,0,0]=4 1687 B13R0.338 CC#CCNC(=O)NNCCOCC 512a_100000685387_100000732670 [0,2,0,0,0,0|2,0,0]=4 1688 B13R0.338 CC#CCNC(=O)NNCCOCC 512a_100000732670_100000685387 [0,2,0,0,0,0|2,0,0]=4 1689 B13R0.338 CCC#CCOCC(=O)CCCCC 34a_100000032950_200012276598 [0,2,0,0,0,0|2,0,0]=4 1690 B13R0.338 CCC#CCOCC(=O)NCCCC 34a_100000032950_100000182744 [0,2,0,0,0,0|1,0,0]=3 1691 B13R0.338 CCC#CCOCC(=O)NCCOC 34a_100000032950_100000183275 [0,2,0,0,0,0|2,0,0]=4 1692 B13R0.338 CCC#CCOCC(=O)OCCCC 34a_100000032950_100000211628 [0,2,0,0,0,0|2,0,0]=4 1693 B13R0.338 CCC#CCSCC(=O)NCCCC 62a_100000182744_100009813939 [0,2,0,0,0,0|1,1,0]=4 1694 B13R0.338 CCC#CCSCC(=O)NCCCC 62a_100009813939_100000182744 [0,2,0,0,0,0|1,1,0]=4 1695 B13R0.338 CCCCCC(=O)COCC#CCCl 34a_200000047223_200012276598 [0,2,0,0,0,0|1,1,0]=4 1696 B13R0.338 CCCCNC(=O)COCC#CCCl 34a_200000047223_100000182744 [0,2,0,0,0,0|0,1,0]=3 1697 B13R0.338 CCCCNC(=O)COCCCCI 34a_200012148704_100000182744 [0,2,0,0,0,0|0,0,2]=4 1698 B13R0.338 CCCCNC(=O)CSCC#CCO 62a_100000182744_200000047223 [0,2,0,0,0,0|1,1,0]=4 1699 B13R0.338 CCCCNC(=O)CSCC#CCO 62a_200000047223_100000182744 [0,2,0,0,0,0|1,1,0]=4 1700 B13R0.338 CCCCOC(=O)COCC#CCCl 34a_200000047223_100000211628 [0,2,0,0,0,0|1,1,0]=4 1701 B13R0.338 COCCNC(=O)COCC#CCCl 34a_200000047223_100000183275 [0,2,0,0,0,0|1,1,0]=4 1702 B13R0.398 C#CCCOC(C)C(=O)NCCCC 34a_100011215631_100000735917 [0,2,0,0,0,0|1,0,1]=4 1703 B13R0.398 CC#CCNC(=O)N(C)CCCCC 273464a_100000685387_100000223495 [0,2,0,0,0,0|2,0,0]=4 1704 B13R0.398 CC#CCNC(=O)N(C)CCCCO 273464a_100000685387_100000717598 [0,2,0,0,0,0|2,0,0]=4 1705 B13R0.398 CC#CCNC(=O)N(C)CCCOC 273464a_100000685387_100000224831 [0,2,0,0,0,0|2,0,0]=4 1706 B13R0.398 CC#CCNC(C)C(=O)NCCCC 2230a_100000685387_100000735917 [0,2,0,0,0,0|2,0,0]=4 1707 B13R0.398 CC#CCNC(C)C(=O)NCCCC 34a_100000685387_100000735917 [0,2,0,0,0,0|2,0,0]=4 1708 B13R0.398 CC#CCOC(C)C(=O)NCCCC 34a_100000761923_100000735917 [0,2,0,0,0,0|1,0,0]=3 1709 B13R0.398 CC#CCOC(C)C(=O)OCCCC 34a_100000038973_100000748600 [0,2,0,0,0,0|2,0,0]=4 1710 B13R0.398 CC#CCOC(C)C(=O)OCCCC 34a_100000761923_100000759602 [0,2,0,0,0,0|2,0,0]=4 1711 B13R0.398 CC#CCOC(C)C(=O)OCCCC 7a_100000038973_100000748600 [0,2,0,0,0,0|2,0,0]=4 1712 B13R0.398 CC#CCSC(C)C(=O)NCCCC 62a_100000735917_100000748600 [0,2,0,0,0,0|1,1,0]=4 1713 B13R0.398 CC#CCSC(C)C(=O)NCCCC 62a_100000748600_100000735917 [0,2,0,0,0,0|1,1,0]=4 1714 B13R0.1170 CC#CCOCC(=O)NCC(O)CO 34a_100000761923_200012027429 [0,2,0,0,0,0|2,0,0]=4 1715 B13R0.1171 C#CCCOCC(=O)N(C)CCCC 34a_100011215631_100000230175 [0,2,0,0,0,0|1,0,1]=4 1716 B13R0.1171 CC#CCNCC(=O)N(C)CCCC 2230a_100000685387_100000230175 [0,2,0,0,0,0|2,0,0]=4 1717 B13R0.1171 CC#CCNCC(=O)N(C)CCCC 34a_100000685387_100000230175 [0,2,0,0,0,0|2,0,0]=4 1718 B13R0.1171 CC#CCOCC(=O)N(C)CCCC 34a_100000761923_100000230175 [0,2,0,0,0,0|1,0,0]=3 1719 B13R0.1171 CC#CCSCC(=O)N(C)CCCC 62a_100000230175_100000748600 [0,2,0,0,0,0|1,1,0]=4 1720 B13R0.1171 CC#CCSCC(=O)N(C)CCCC 62a_100000748600_100000230175 [0,2,0,0,0,0|1,1,0]=4 1721 B13R0.151 CC#CCNC(=O)N(C)CC(C)CC 273464a_100000685387_100000753921 [0,2,0,0,0,0|2,0,0]=4 1722 B13R0.339 CC#CCNC(=O)NCC(O)C(C)C 273464a_100000685387_100000759067 [0,2,0,0,0,0|2,0,0]=4 1723 B13R0.339 CC#CCNC(=O)NCC(O)C(C)C 273464a_100000759067_100000685387 [0,2,0,0,0,0|2,0,0]=4 1724 B13R0.339 CC#CCNC(=O)NCC(O)C(C)C 512a_100000685387_100000759067 [0,2,0,0,0,0|2,0,0]=4 1725 B13R0.339 CC#CCNC(=O)NCC(O)C(C)C 512a_100000759067_100000685387 [0,2,0,0,0,0|2,0,0]=4 1726 B13R0.426 CC#CCNC(=O)NCC(CC)CC 2708a_100102946423_100000685387 [0,2,0,0,0,0|2,0,0]=4 1727 B13R0.426 CC#CCNC(=O)NCC(CC)CC 273464a_100000685387_100102946423 [0,2,0,0,0,0|2,0,0]=4 1728 B13R0.426 CC#CCNC(=O)NCC(CC)CC 273464a_100102946423_100000685387 [0,2,0,0,0,0|2,0,0]=4 1729 B13R0.426 CC#CCNC(=O)NCC(CC)CC 512a_100000685387_100102946423 [0,2,0,0,0,0|2,0,0]=4 1730 B13R0.426 CC#CCNC(=O)NCC(CC)CC 512a_100102946423_100000685387 [0,2,0,0,0,0|2,0,0]=4 1731 B13R0.426 CC#CCNC(=O)NCC(CC)OC 2708a_100000731041_100000685387 [0,2,0,0,0,0|2,0,0]=4 1732 B13R0.426 CC#CCNC(=O)NCC(CC)OC 273464a_100000685387_100000731041 [0,2,0,0,0,0|2,0,0]=4 1733 B13R0.426 CC#CCNC(=O)NCC(CC)OC 273464a_100000731041_100000685387 [0,2,0,0,0,0|2,0,0]=4 1734 B13R0.426 CC#CCNC(=O)NCC(CC)OC 512a_100000685387_100000731041 [0,2,0,0,0,0|2,0,0]=4 1735 B13R0.426 CC#CCNC(=O)NCC(CC)OC 512a_100000731041_100000685387 [0,2,0,0,0,0|2,0,0]=4 1736 B13R0.139 CC#CCNC(=O)N(C)CCC(C)C 273464a_100000685387_100000742789 [0,2,0,0,0,0|2,0,0]=4 1737 B13R0.196 CC#CCNC(=O)NCCC(C)(C)C 2708a_100000738805_100000685387 [0,2,0,0,0,0|2,0,0]=4 1738 B13R0.196 CC#CCNC(=O)NCCC(C)(C)C 273464a_100000685387_100000738805 [0,2,0,0,0,0|2,0,0]=4 1739 B13R0.196 CC#CCNC(=O)NCCC(C)(C)C 273464a_100000738805_100000685387 [0,2,0,0,0,0|2,0,0]=4 1740 B13R0.196 CC#CCNC(=O)NCCC(C)(C)C 512a_100000685387_100000738805 [0,2,0,0,0,0|2,0,0]=4 1741 B13R0.196 CC#CCNC(=O)NCCC(C)(C)C 512a_100000738805_100000685387 [0,2,0,0,0,0|2,0,0]=4 1742 B13R0.196 CC#CCNC(=O)NCCC(C)(C)F 2708a_100016253952_100000685387 [0,2,0,0,0,0|2,0,0]=4 1743 B13R0.196 CC#CCNC(=O)NCCC(C)(C)F 273464a_100000685387_100016253952 [0,2,0,0,0,0|2,0,0]=4 1744 B13R0.196 CC#CCNC(=O)NCCC(C)(C)F 273464a_100016253952_100000685387 [0,2,0,0,0,0|2,0,0]=4 1745 B13R0.196 CC#CCNC(=O)NCCC(C)(C)F 512a_100000685387_100016253952 [0,2,0,0,0,0|2,0,0]=4 1746 B13R0.196 CC#CCNC(=O)NCCC(C)(C)F 512a_100016253952_100000685387 [0,2,0,0,0,0|2,0,0]=4 1747 B13R0.196 CC#CCNC(=O)NCCC(C)(C)O 2708a_100000707701_100000685387 [0,2,0,0,0,0|2,0,0]=4 1748 B13R0.196 CC#CCNC(=O)NCCC(C)(C)O 273464a_100000685387_100000707701 [0,2,0,0,0,0|2,0,0]=4 1749 B13R0.196 CC#CCNC(=O)NCCC(C)(C)O 273464a_100000707701_100000685387 [0,2,0,0,0,0|2,0,0]=4 1750 B13R0.196 CC#CCNC(=O)NCCC(C)(C)O 512a_100000685387_100000707701 [0,2,0,0,0,0|2,0,0]=4 1751 B13R0.196 CC#CCNC(=O)NCCC(C)(C)O 512a_100000707701_100000685387 [0,2,0,0,0,0|2,0,0]=4 1752 B13R0.333 CC#CCNC(=O)NC(C)CC(C)C 2708a_100000692259_100000685387 [0,2,0,0,0,0|2,0,0]=4 1753 B13R0.333 CC#CCNC(=O)NC(C)CC(C)C 273464a_100000692259_100000685387 [0,2,0,0,0,0|2,0,0]=4 1754 B13R0.333 CC#CCNC(=O)NC(C)CC(C)C 512a_100000685387_100000692259 [0,2,0,0,0,0|2,0,0]=4 1755 B13R0.333 CC#CCNC(=O)NC(C)CC(C)C 512a_100000692259_100000685387 [0,2,0,0,0,0|2,0,0]=4 1756 B13R0.1289 CC#CCNC(=O)NC(CC)CCC 2708a_100000747048_100000685387 [0,2,0,0,0,0|2,0,0]=4 1757 B13R0.1289 CC#CCNC(=O)NC(CC)CCC 273464a_100000685387_100000747048 [0,2,0,0,0,0|2,0,0]=4 1758 B13R0.1289 CC#CCNC(=O)NC(CC)CCC 273464a_100000747048_100000685387 [0,2,0,0,0,0|2,0,0]=4 1759 B13R0.1289 CC#CCNC(=O)NC(CC)CCC 512a_100000685387_100000747048 [0,2,0,0,0,0|2,0,0]=4 1760 B13R0.1289 CC#CCNC(=O)NC(CC)CCC 512a_100000747048_100000685387 [0,2,0,0,0,0|2,0,0]=4 1761 B13R0.1289 CC#CCNC(=O)N[C@H](CO)CCC 273464a_100000685387_100000732646 [0,2,0,0,0,0|2,0,0]=4 1762 B13R0.1289 CC#CCNC(=O)N[C@H](CO)CCC 273464a_100000732646_100000685387 [0,2,0,0,0,0|2,0,0]=4 1763 B13R0.1289 CC#CCNC(=O)N[C@H](CO)CCC 512a_100000685387_100000732646 [0,2,0,0,0,0|2,0,0]=4 1764 B13R0.1289 CC#CCNC(=O)N[C@H](CO)CCC 512a_100000732646_100000685387 [0,2,0,0,0,0|2,0,0]=4 1765 B13R0.1281 CC#CCNC(=O)N(CC)CCCC 273464a_100000685387_100000207695 [0,2,0,0,0,0|2,0,0]=4 1766 B11R1.29 C#CCCC(=O)C1CCCC1 1458a_100000210718_100000753159 [1,0,0,1,0,0|2,0,0]=4 1767 B11R1.29 C#CCCC(=O)C1CCCC1 1458a_100000692101_100000179811 [1,0,0,1,0,0|2,0,0]=4 1768 B11R1.29 C#CCCC(=O)N1CCCC1 240690a_100000188435_100000692101 [1,0,0,1,0,0|1,0,0]=3 1769 B11R1.29 C#CCCC(=O)N1CCCC1 527a_100000188435_100000692101 [1,0,0,1,0,0|1,0,0]=3 1770 B11R1.29 C#CCCC(=O)N1CCSC1 11a_100011215254_100000692101 [1,0,0,1,0,0|2,0,0]=4 1771 B11R1.29 C#CCCC(=O)N1CCSC1 240690a_100011215254_100000692101 [1,0,0,1,0,0|2,0,0]=4 1772 B11R1.29 C#CCCC(=O)N1CCSC1 527a_100011215254_100000692101 [1,0,0,1,0,0|2,0,0]=4 1773 B11R1.29 C#CCNC(=O)C1CCCC1 11a_100000212058_100000210718 [1,0,0,1,0,0|2,0,0]=4 1774 B11R1.29 C#CCNC(=O)C1CCCC1 1626a_100000212058_100000210718 [1,0,0,1,0,0|2,0,0]=4 1775 B11R1.29 C#CCNC(=O)C1CCCC1 240690a_100000212058_100000210718 [1,0,0,1,0,0|2,0,0]=4 1776 B11R1.29 C#CCNC(=O)C1CCCC1 527a_100000212058_100000210718 [1,0,0,1,0,0|2,0,0]=4 1777 B11R1.29 C#CCNC(=O)N1CCCC1 2708a_100000212058_100000188435 [1,0,0,1,0,0|1,0,0]=3 1778 B11R1.29 C#CCNC(=O)N1CCCC1 273464a_100000212058_100000188435 [1,0,0,1,0,0|1,0,0]=3 1779 B11R1.29 C#CCNC(=O)N1CCSC1 2708a_100000212058_100011215254 [1,0,0,1,0,0|2,0,0]=4 1780 B11R1.29 C#CCNC(=O)N1CCSC1 273464a_100000212058_100011215254 [1,0,0,1,0,0|2,0,0]=4 1781 B11R1.29 CC#CCC(=O)C1CCCC1 1458a_100000210718_100000748600 [1,0,0,1,0,0|2,0,0]=4 1782 B11R1.29 N#CCCC(=O)N1CCCC1 240690a_100000188435_100011934036 [1,0,0,1,0,0|1,0,1]=4 1783 B11R1.29 N#CCCC(=O)N1CCCC1 527a_100000188435_100011934036 [1,0,0,1,0,0|1,0,1]=4 1784 B11R1.29 N#CCNC(=O)N1CCCC1 2708a_100000734998_100000188435 [1,0,0,1,0,0|2,0,0]=4 1785 B11R1.29 N#CCNC(=O)N1CCCC1 273464a_100000734998_100000188435 [1,0,0,1,0,0|2,0,0]=4 1786 B11R1.282 C#CCCC(=O)C1CC1CC 1458a_200011661523_100000753159 [1,0,0,1,0,0|2,0,0]=4 1787 B11R1.282 C#CCNC(=O)C1CC1CC 11a_100000212058_200011661523 [1,0,0,1,0,0|2,0,0]=4 1788 B11R1.282 C#CCNC(=O)C1CC1CC 1626a_100000212058_200011661523 [1,0,0,1,0,0|2,0,0]=4 1789 B11R1.282 C#CCNC(=O)C1CC1CC 240690a_100000212058_200011661523 [1,0,0,1,0,0|2,0,0]=4 1790 B11R1.282 C#CCNC(=O)C1CC1CC 527a_100000212058_200011661523 [1,0,0,1,0,0|2,0,0]=4 1791 B11R1.282 CC#CCC(=O)C1CC1CC 1458a_200011661523_100000748600 [1,0,0,1,0,0|2,0,0]=4 1792 B11R1.283 C#CCCC(=O)N[C@@H]1C[C@@H]1F 240690a_100015190264_100000692101 [1,0,0,1,0,0|2,0,0]=4 1793 B11R1.283 C#CCCC(=O)N[C@@H]1C[C@@H]1F 527a_100015190264_100000692101 [1,0,0,1,0,0|2,0,0]=4 1794 B11R1.283 C#CCCC(=O)N[C@@H]1C[C@H]1F 11a_100025746932_100000692101 [1,0,0,1,0,0|2,0,0]=4 1795 B11R1.283 C#CCCC(=O)N[C@@H]1C[C@H]1F 1626a_100025746932_100000692101 [1,0,0,1,0,0|2,0,0]=4 1796 B11R1.283 C#CCCC(=O)N[C@@H]1C[C@H]1F 240690a_100025746932_100000692101 [1,0,0,1,0,0|2,0,0]=4 1797 B11R1.283 C#CCCC(=O)N[C@@H]1C[C@H]1F 527a_100025746932_100000692101 [1,0,0,1,0,0|2,0,0]=4 1798 B11R1.283 C#CCNC(=O)N[C@@H]1C[C@@H]1F 2708a_100000212058_100015190264 [1,0,0,1,0,0|2,0,0]=4 1799 B11R1.283 C#CCNC(=O)N[C@@H]1C[C@@H]1F 273464a_100000212058_100015190264 [1,0,0,1,0,0|2,0,0]=4 1800 B11R1.283 C#CCNC(=O)N[C@@H]1C[C@@H]1F 273464a_100015190264_100000212058 [1,0,0,1,0,0|2,0,0]=4 1801 B11R1.283 C#CCNC(=O)N[C@@H]1C[C@@H]1F 512a_100000212058_100015190264 [1,0,0,1,0,0|2,0,0]=4 1802 B11R1.283 C#CCNC(=O)N[C@@H]1C[C@H]1F 2708a_100000212058_100025746932 [1,0,0,1,0,0|2,0,0]=4 1803 B11R1.283 C#CCNC(=O)N[C@@H]1C[C@H]1F 273464a_100000212058_100025746932 [1,0,0,1,0,0|2,0,0]=4 1804 B11R1.283 C#CCNC(=O)N[C@@H]1C[C@H]1F 512a_100000212058_100025746932 [1,0,0,1,0,0|2,0,0]=4 1805 B11R1.283 C#CCNC(=O)N[C@@H]1C[C@H]1F 512a_100025746932_100000212058 [1,0,0,1,0,0|2,0,0]=4 1806 B11R1.284 C#CCCC(=O)CC1CCC1 1458a_100000692101_100000763275 [1,0,0,1,0,0|2,0,0]=4 1807 B11R1.284 C#CCCC(=O)CC1CCC1 1458a_100000763092_100000753159 [1,0,0,1,0,0|2,0,0]=4 1808 B11R1.284 C#CCCC(=O)NC1CCC1 11a_100000749019_100000692101 [1,0,0,1,0,0|1,0,0]=3 1809 B11R1.284 C#CCCC(=O)NC1CCC1 1626a_100000749019_100000692101 [1,0,0,1,0,0|1,0,0]=3 1810 B11R1.284 C#CCCC(=O)NC1CCC1 240690a_100000749019_100000692101 [1,0,0,1,0,0|1,0,0]=3 1811 B11R1.284 C#CCCC(=O)NC1CCC1 527a_100000749019_100000692101 [1,0,0,1,0,0|1,0,0]=3 1812 B11R1.284 C#CCCC(=O)NC1COC1 11a_100016991112_100000692101 [1,0,0,1,0,0|2,0,0]=4 1813 B11R1.284 C#CCCC(=O)NC1COC1 1626a_100016991112_100000692101 [1,0,0,1,0,0|2,0,0]=4 1814 B11R1.284 C#CCCC(=O)NC1COC1 240690a_100016991112_100000692101 [1,0,0,1,0,0|2,0,0]=4 1815 B11R1.284 C#CCCC(=O)NC1COC1 527a_100016991112_100000692101 [1,0,0,1,0,0|2,0,0]=4 1816 B11R1.284 C#CCCC(=O)NC1CSC1 11a_100016994217_100000692101 [1,0,0,1,0,0|2,0,0]=4 1817 B11R1.284 C#CCCC(=O)NC1CSC1 1626a_100016994217_100000692101 [1,0,0,1,0,0|2,0,0]=4 1818 B11R1.284 C#CCCC(=O)NC1CSC1 240690a_100016994217_100000692101 [1,0,0,1,0,0|2,0,0]=4 1819 B11R1.284 C#CCCC(=O)NC1CSC1 527a_100016994217_100000692101 [1,0,0,1,0,0|2,0,0]=4 1820 B11R1.284 C#CCNC(=O)CC1CCC1 11a_100000212058_100000763092 [1,0,0,1,0,0|2,0,0]=4 1821 B11R1.284 C#CCNC(=O)CC1CCC1 1626a_100000212058_100000763092 [1,0,0,1,0,0|2,0,0]=4 1822 B11R1.284 C#CCNC(=O)CC1CCC1 240690a_100000212058_100000763092 [1,0,0,1,0,0|2,0,0]=4 1823 B11R1.284 C#CCNC(=O)CC1CCC1 527a_100000212058_100000763092 [1,0,0,1,0,0|2,0,0]=4 1824 B11R1.284 C#CCNC(=O)NC1CCC1 2708a_100000212058_100000749019 [1,0,0,1,0,0|1,0,0]=3 1825 B11R1.284 C#CCNC(=O)NC1CCC1 273464a_100000212058_100000749019 [1,0,0,1,0,0|1,0,0]=3 1826 B11R1.284 C#CCNC(=O)NC1CCC1 273464a_100000749019_100000212058 [1,0,0,1,0,0|1,0,0]=3 1827 B11R1.284 C#CCNC(=O)NC1CCC1 512a_100000212058_100000749019 [1,0,0,1,0,0|1,0,0]=3 1828 B11R1.284 C#CCNC(=O)NC1CCC1 512a_100000749019_100000212058 [1,0,0,1,0,0|1,0,0]=3 1829 B11R1.284 C#CCNC(=O)NC1COC1 2708a_100000212058_100016991112 [1,0,0,1,0,0|2,0,0]=4 1830 B11R1.284 C#CCNC(=O)NC1COC1 2708a_100016991112_100000212058 [1,0,0,1,0,0|2,0,0]=4 1831 B11R1.284 C#CCNC(=O)NC1COC1 273464a_100000212058_100016991112 [1,0,0,1,0,0|2,0,0]=4 1832 B11R1.284 C#CCNC(=O)NC1COC1 273464a_100016991112_100000212058 [1,0,0,1,0,0|2,0,0]=4 1833 B11R1.284 C#CCNC(=O)NC1COC1 512a_100000212058_100016991112 [1,0,0,1,0,0|2,0,0]=4 1834 B11R1.284 C#CCNC(=O)NC1COC1 512a_100016991112_100000212058 [1,0,0,1,0,0|2,0,0]=4 1835 B11R1.284 C#CCNC(=O)NC1CSC1 2708a_100000212058_100016994217 [1,0,0,1,0,0|2,0,0]=4 1836 B11R1.284 C#CCNC(=O)NC1CSC1 2708a_100016994217_100000212058 [1,0,0,1,0,0|2,0,0]=4 1837 B11R1.284 C#CCNC(=O)NC1CSC1 273464a_100000212058_100016994217 [1,0,0,1,0,0|2,0,0]=4 1838 B11R1.284 C#CCNC(=O)NC1CSC1 273464a_100016994217_100000212058 [1,0,0,1,0,0|2,0,0]=4 1839 B11R1.284 C#CCNC(=O)NC1CSC1 512a_100000212058_100016994217 [1,0,0,1,0,0|2,0,0]=4 1840 B11R1.284 C#CCNC(=O)NC1CSC1 512a_100016994217_100000212058 [1,0,0,1,0,0|2,0,0]=4 1841 B11R1.284 CC#CCC(=O)CC1CCC1 1458a_100000763092_100000748600 [1,0,0,1,0,0|2,0,0]=4 1842 B11R1.284 N#CCCC(=O)NC1CCC1 11a_100000749019_100011934036 [1,0,0,1,0,0|1,0,1]=4 1843 B11R1.284 N#CCCC(=O)NC1CCC1 1626a_100000749019_100011934036 [1,0,0,1,0,0|1,0,1]=4 1844 B11R1.284 N#CCCC(=O)NC1CCC1 240690a_100000749019_100011934036 [1,0,0,1,0,0|1,0,1]=4 1845 B11R1.284 N#CCCC(=O)NC1CCC1 527a_100000749019_100011934036 [1,0,0,1,0,0|1,0,1]=4 1846 B11R1.284 N#CCNC(=O)NC1CCC1 2708a_100000734998_100000749019 [1,0,0,1,0,0|2,0,0]=4 1847 B11R1.284 N#CCNC(=O)NC1CCC1 273464a_100000734998_100000749019 [1,0,0,1,0,0|2,0,0]=4 1848 B11R1.284 N#CCNC(=O)NC1CCC1 273464a_100000749019_100000734998 [1,0,0,1,0,0|2,0,0]=4 1849 B11R1.284 N#CCNC(=O)NC1CCC1 512a_100000734998_100000749019 [1,0,0,1,0,0|2,0,0]=4 1850 B11R1.284 N#CCNC(=O)NC1CCC1 512a_100000749019_100000734998 [1,0,0,1,0,0|2,0,0]=4 1851 B11R1.285 C#CCCC(=O)CCC1CC1 1458a_100000692101_100000694398 [1,0,0,1,0,0|2,0,0]=4 1852 B11R1.285 C#CCCC(=O)CCC1CC1 1458a_100000756386_100000753159 [1,0,0,1,0,0|2,0,0]=4 1853 B11R1.285 C#CCCC(=O)NCC1CC1 11a_100000735609_100000692101 [1,0,0,1,0,0|1,0,0]=3 1854 B11R1.285 C#CCCC(=O)NCC1CC1 1626a_100000735609_100000692101 [1,0,0,1,0,0|1,0,0]=3 1855 B11R1.285 C#CCCC(=O)NCC1CC1 240690a_100000735609_100000692101 [1,0,0,1,0,0|1,0,0]=3 1856 B11R1.285 C#CCCC(=O)NCC1CC1 527a_100000735609_100000692101 [1,0,0,1,0,0|1,0,0]=3 1857 B11R1.285 C#CCCC(=O)NNC1CC1 22a_100000701032_100000692101 [1,0,0,1,0,0|2,0,0]=4 1858 B11R1.285 C#CCNC(=O)CCC1CC1 11a_100000212058_100000756386 [1,0,0,1,0,0|2,0,0]=4 1859 B11R1.285 C#CCNC(=O)CCC1CC1 1626a_100000212058_100000756386 [1,0,0,1,0,0|2,0,0]=4 1860 B11R1.285 C#CCNC(=O)CCC1CC1 240690a_100000212058_100000756386 [1,0,0,1,0,0|2,0,0]=4 1861 B11R1.285 C#CCNC(=O)CCC1CC1 527a_100000212058_100000756386 [1,0,0,1,0,0|2,0,0]=4 1862 B11R1.285 C#CCNC(=O)NCC1CC1 2708a_100000212058_100000735609 [1,0,0,1,0,0|1,0,0]=3 1863 B11R1.285 C#CCNC(=O)NCC1CC1 2708a_100000735609_100000212058 [1,0,0,1,0,0|1,0,0]=3 1864 B11R1.285 C#CCNC(=O)NCC1CC1 273464a_100000212058_100000735609 [1,0,0,1,0,0|1,0,0]=3 1865 B11R1.285 C#CCNC(=O)NCC1CC1 273464a_100000735609_100000212058 [1,0,0,1,0,0|1,0,0]=3 1866 B11R1.285 C#CCNC(=O)NCC1CC1 512a_100000212058_100000735609 [1,0,0,1,0,0|1,0,0]=3 1867 B11R1.285 C#CCNC(=O)NCC1CC1 512a_100000735609_100000212058 [1,0,0,1,0,0|1,0,0]=3 1868 B11R1.285 C#CCNC(=O)NNC1CC1 273464a_100000212058_100000701032 [1,0,0,1,0,0|2,0,0]=4 1869 B11R1.285 C#CCNC(=O)NNC1CC1 512a_100000212058_100000701032 [1,0,0,1,0,0|2,0,0]=4 1870 B11R1.285 C#CCNC(=O)NNC1CC1 512a_100000701032_100000212058 [1,0,0,1,0,0|2,0,0]=4 1871 B11R1.285 CC#CCC(=O)CCC1CC1 1458a_100000756386_100000748600 [1,0,0,1,0,0|2,0,0]=4 1872 B11R1.285 N#CCCC(=O)NCC1CC1 11a_100000735609_100011934036 [1,0,0,1,0,0|1,0,1]=4 1873 B11R1.285 N#CCCC(=O)NCC1CC1 1626a_100000735609_100011934036 [1,0,0,1,0,0|1,0,1]=4 1874 B11R1.285 N#CCCC(=O)NCC1CC1 240690a_100000735609_100011934036 [1,0,0,1,0,0|1,0,1]=4 1875 B11R1.285 N#CCCC(=O)NCC1CC1 527a_100000735609_100011934036 [1,0,0,1,0,0|1,0,1]=4 1876 B11R1.285 N#CCNC(=O)NCC1CC1 2708a_100000734998_100000735609 [1,0,0,1,0,0|2,0,0]=4 1877 B11R1.285 N#CCNC(=O)NCC1CC1 273464a_100000734998_100000735609 [1,0,0,1,0,0|2,0,0]=4 1878 B11R1.285 N#CCNC(=O)NCC1CC1 273464a_100000735609_100000734998 [1,0,0,1,0,0|2,0,0]=4 1879 B11R1.285 N#CCNC(=O)NCC1CC1 512a_100000734998_100000735609 [1,0,0,1,0,0|2,0,0]=4 1880 B11R1.285 N#CCNC(=O)NCC1CC1 512a_100000735609_100000734998 [1,0,0,1,0,0|2,0,0]=4 1881 B11R1.286 C#CCCC(=O)N1CCC1C 11a_100000755817_100000692101 [1,0,0,1,0,0|1,0,0]=3 1882 B11R1.286 C#CCCC(=O)N1CCC1C 240690a_100000755817_100000692101 [1,0,0,1,0,0|1,0,0]=3 1883 B11R1.286 C#CCCC(=O)N1CCC1C 527a_100000755817_100000692101 [1,0,0,1,0,0|1,0,0]=3 1884 B11R1.286 C#CCNC(=O)N1CCC1C 2708a_100000212058_100000755817 [1,0,0,1,0,0|1,0,0]=3 1885 B11R1.286 C#CCNC(=O)N1CCC1C 273464a_100000212058_100000755817 [1,0,0,1,0,0|1,0,0]=3 1886 B11R1.286 CC1CCN1C(=O)CCC#N 11a_100000755817_100011934036 [1,0,0,1,0,0|1,0,1]=4 1887 B11R1.286 CC1CCN1C(=O)CCC#N 240690a_100000755817_100011934036 [1,0,0,1,0,0|1,0,1]=4 1888 B11R1.286 CC1CCN1C(=O)CCC#N 527a_100000755817_100011934036 [1,0,0,1,0,0|1,0,1]=4 1889 B11R1.286 CC1CCN1C(=O)NCC#N 2708a_100000734998_100000755817 [1,0,0,1,0,0|2,0,0]=4 1890 B11R1.286 CC1CCN1C(=O)NCC#N 273464a_100000734998_100000755817 [1,0,0,1,0,0|2,0,0]=4 1891 B11R1.299 CC#CCNC(=O)C1CCC1 11a_100000685387_100000209988 [1,0,0,1,0,0|2,0,0]=4 1892 B11R1.299 CC#CCNC(=O)C1CCC1 1626a_100000685387_100000209988 [1,0,0,1,0,0|2,0,0]=4 1893 B11R1.299 CC#CCNC(=O)C1CCC1 527a_100000685387_100000209988 [1,0,0,1,0,0|2,0,0]=4 1894 B11R1.299 CC#CCNC(=O)N1CCC1 273464a_100000685387_100000754969 [1,0,0,1,0,0|2,0,0]=4 1895 B11R1.301 CC#CCNC(=O)CC1CC1 11a_100000685387_100000738066 [1,0,0,1,0,0|2,0,0]=4 1896 B11R1.301 CC#CCNC(=O)CC1CC1 1626a_100000685387_100000738066 [1,0,0,1,0,0|2,0,0]=4 1897 B11R1.301 CC#CCNC(=O)CC1CC1 527a_100000685387_100000738066 [1,0,0,1,0,0|2,0,0]=4 1898 B11R1.301 CC#CCNC(=O)NC1CC1 2708a_100000212008_100000685387 [1,0,0,1,0,0|2,0,0]=4 1899 B11R1.301 CC#CCNC(=O)NC1CC1 273464a_100000212008_100000685387 [1,0,0,1,0,0|2,0,0]=4 1900 B11R1.301 CC#CCNC(=O)NC1CC1 273464a_100000685387_100000212008 [1,0,0,1,0,0|2,0,0]=4 1901 B11R1.301 CC#CCNC(=O)NC1CC1 512a_100000212008_100000685387 [1,0,0,1,0,0|2,0,0]=4 1902 B11R1.1034 CC#CCNC(=O)C1CC1C 11a_100000685387_100000211227 [1,0,0,1,0,0|2,0,0]=4 1903 B11R1.1034 CC#CCNC(=O)C1CC1C 1626a_100000685387_100000211227 [1,0,0,1,0,0|2,0,0]=4 1904 B11R1.1034 CC#CCNC(=O)C1CC1C 527a_100000685387_100000211227 [1,0,0,1,0,0|2,0,0]=4 1905 B13R1.24 CC#CCNC(=O)N1CCCOC1 273464a_100000685387_100000131196 [0,1,0,1,0,0|2,0,0]=4 1906 B13R1.24 CC#CCNC(=O)N1CCOCC1 273464a_100000685387_100015191051 [0,1,0,1,0,0|2,0,0]=4 1907 B13R1.24 CC#CCNC(=O)N1CCSCC1 273464a_100000685387_100000737611 [0,1,0,1,0,0|2,0,0]=4 1908 B13R1.34 CC#CCNC1CCCCNC1=O 2230a_100000685387_100000735217 [0,1,0,1,0,0|2,0,0]=4 1909 B13R1.34 CC#CCNC1CCCCNC1=O 2230a_100000698827_100000748600 [0,1,0,1,0,0|2,0,0]=4 1910 B13R1.34 CC#CCNC1CCCCNC1=O 34a_100000698827_100000748600 [0,1,0,1,0,0|2,0,0]=4 1911 B13R1.34 CC#CCSC1CCCCNC1=O 62a_100000735217_100000748600 [0,1,0,1,0,0|1,1,0]=4 1912 B13R1.34 CC#CCSC1CCCCNC1=O 62a_100000748600_100000735217 [0,1,0,1,0,0|1,1,0]=4 1913 B13R1.48 C#CCCOCC(=O)N1CCCC1 34a_100011215631_100000183516 [0,1,0,1,0,0|1,0,1]=4 1914 B13R1.48 C#CCCOCC(=O)N1CCCC1 7a_200000752455_100000688953 [0,1,0,1,0,0|1,0,1]=4 1915 B13R1.48 CC#CCNCC(=O)N1CCCC1 2230a_100000685387_100000183516 [0,1,0,1,0,0|2,0,0]=4 1916 B13R1.48 CC#CCNCC(=O)N1CCCC1 2230a_100000751844_100000748600 [0,1,0,1,0,0|2,0,0]=4 1917 B13R1.48 CC#CCNCC(=O)N1CCCC1 34a_100000685387_100000183516 [0,1,0,1,0,0|2,0,0]=4 1918 B13R1.48 CC#CCOCC(=O)N1CCCC1 34a_100000761923_100000183516 [0,1,0,1,0,0|1,0,0]=3 1919 B13R1.48 CC#CCOCC(=O)N1CCCC1 7a_200000752455_100000748600 [0,1,0,1,0,0|1,0,0]=3 1920 B13R1.48 CC#CCSCC(=O)N1CCCC1 62a_100000183516_100000748600 [0,1,0,1,0,0|1,1,0]=4 1921 B13R1.48 CC#CCSCC(=O)N1CCCC1 62a_100000748600_100000183516 [0,1,0,1,0,0|1,1,0]=4 1922 B13R1.48 N#CCCOCC(=O)N1CCCC1 7a_200000752455_100000184422 [0,1,0,1,0,0|1,0,1]=4 1923 B13R1.156 CC#CCNC(=O)CN1CCCC1 527a_100000685387_100000740243 [0,1,0,1,0,0|2,0,0]=4 1924 B13R1.156 CC#CCNC(=O)NC1CCCC1 2708a_100000211070_100000685387 [0,1,0,1,0,0|2,0,0]=4 1925 B13R1.156 CC#CCNC(=O)NC1CCCC1 273464a_100000211070_100000685387 [0,1,0,1,0,0|2,0,0]=4 1926 B13R1.156 CC#CCNC(=O)NC1CCCC1 273464a_100000685387_100000211070 [0,1,0,1,0,0|2,0,0]=4 1927 B13R1.156 CC#CCNC(=O)NC1CCCC1 512a_100000211070_100000685387 [0,1,0,1,0,0|2,0,0]=4 1928 B13R1.156 CC#CCNC(=O)NC1CCCC1 512a_100000685387_100000211070 [0,1,0,1,0,0|2,0,0]=4 1929 B13R1.156 CC#CCNC(=O)N[C@@H]1CCOC1 2708a_200015188469_100000685387 [0,1,0,1,0,0|2,0,0]=4 1930 B13R1.156 CC#CCNC(=O)N[C@@H]1CCOC1 273464a_100000685387_200015188469 [0,1,0,1,0,0|2,0,0]=4 1931 B13R1.156 CC#CCNC(=O)N[C@@H]1CCOC1 273464a_200015188469_100000685387 [0,1,0,1,0,0|2,0,0]=4 1932 B13R1.156 CC#CCNC(=O)N[C@@H]1CCOC1 512a_100000685387_200015188469 [0,1,0,1,0,0|2,0,0]=4 1933 B13R1.156 CC#CCNC(=O)N[C@H]1CCOC1 2708a_100015188467_100000685387 [0,1,0,1,0,0|2,0,0]=4 1934 B13R1.156 CC#CCNC(=O)N[C@H]1CCOC1 273464a_100000685387_100015188467 [0,1,0,1,0,0|2,0,0]=4 1935 B13R1.156 CC#CCNC(=O)N[C@H]1CCOC1 273464a_100015188467_100000685387 [0,1,0,1,0,0|2,0,0]=4 1936 B13R1.156 CC#CCNC(=O)N[C@H]1CCOC1 512a_100000685387_100015188467 [0,1,0,1,0,0|2,0,0]=4 1937 B13R1.156 CC#CCNC(=O)N[C@H]1CCOC1 512a_100015188467_100000685387 [0,1,0,1,0,0|2,0,0]=4 1938 B13R1.725 CC#CCNC(=O)N1CCC[C@@H]1C 273464a_100000685387_100020605311 [0,1,0,1,0,0|2,0,0]=4 1939 B13R1.725 CC#CCNC(=O)N1CCC[C@H]1C 273464a_100000685387_100015189458 [0,1,0,1,0,0|2,0,0]=4 1940 B13R1.725 CC#CCNC(=O)N1CCSC1C 273464a_100000685387_200011216479 [0,1,0,1,0,0|2,0,0]=4 1941 B13R1.728 CC#CCNC(=O)NCC1CCC1 2708a_100000738700_100000685387 [0,1,0,1,0,0|2,0,0]=4 1942 B13R1.728 CC#CCNC(=O)NCC1CCC1 273464a_100000685387_100000738700 [0,1,0,1,0,0|2,0,0]=4 1943 B13R1.728 CC#CCNC(=O)NCC1CCC1 273464a_100000738700_100000685387 [0,1,0,1,0,0|2,0,0]=4 1944 B13R1.728 CC#CCNC(=O)NCC1CCC1 512a_100000685387_100000738700 [0,1,0,1,0,0|2,0,0]=4 1945 B13R1.728 CC#CCNC(=O)NCC1CCC1 512a_100000738700_100000685387 [0,1,0,1,0,0|2,0,0]=4 1946 B13R1.728 CC#CCNC(=O)NCC1COC1 2708a_100015281925_100000685387 [0,1,0,1,0,0|2,0,0]=4 1947 B13R1.728 CC#CCNC(=O)NCC1COC1 273464a_100000685387_100015281925 [0,1,0,1,0,0|2,0,0]=4 1948 B13R1.728 CC#CCNC(=O)NCC1COC1 273464a_100015281925_100000685387 [0,1,0,1,0,0|2,0,0]=4 1949 B13R1.728 CC#CCNC(=O)NCC1COC1 512a_100000685387_100015281925 [0,1,0,1,0,0|2,0,0]=4 1950 B13R1.728 CC#CCNC(=O)NCC1COC1 512a_100015281925_100000685387 [0,1,0,1,0,0|2,0,0]=4 1951 B13R1.728 CC#CCNC(=O)NC[C@@H]1CCO1 2708a_100020831831_100000685387 [0,1,0,1,0,0|2,0,0]=4 1952 B13R1.728 CC#CCNC(=O)NC[C@@H]1CCO1 273464a_100000685387_100020831831 [0,1,0,1,0,0|2,0,0]=4 1953 B13R1.728 CC#CCNC(=O)NC[C@@H]1CCO1 273464a_100020831831_100000685387 [0,1,0,1,0,0|2,0,0]=4 1954 B13R1.728 CC#CCNC(=O)NC[C@@H]1CCO1 512a_100000685387_100020831831 [0,1,0,1,0,0|2,0,0]=4 1955 B13R1.728 CC#CCNC(=O)NC[C@@H]1CCO1 512a_100020831831_100000685387 [0,1,0,1,0,0|2,0,0]=4 1956 B13R1.728 CC#CCNC(=O)NNC1CCC1 273464a_100000685387_100000736358 [0,1,0,1,0,0|2,0,0]=4 1957 B13R1.728 CC#CCNC(=O)NNC1CCC1 512a_100000685387_100000736358 [0,1,0,1,0,0|2,0,0]=4 1958 B13R1.728 CC#CCNC(=O)NNC1CCC1 512a_100000736358_100000685387 [0,1,0,1,0,0|2,0,0]=4 1959 B13R1.729 CC#CCNC(=O)NCCC1CC1 2708a_100000764129_100000685387 [0,1,0,1,0,0|2,0,0]=4 1960 B13R1.729 CC#CCNC(=O)NCCC1CC1 273464a_100000685387_100000764129 [0,1,0,1,0,0|2,0,0]=4 1961 B13R1.729 CC#CCNC(=O)NCCC1CC1 273464a_100000764129_100000685387 [0,1,0,1,0,0|2,0,0]=4 1962 B13R1.729 CC#CCNC(=O)NCCC1CC1 512a_100000685387_100000764129 [0,1,0,1,0,0|2,0,0]=4 1963 B13R1.729 CC#CCNC(=O)NCCC1CC1 512a_100000764129_100000685387 [0,1,0,1,0,0|2,0,0]=4 1964 B13R1.729 CC#CCNC(=O)NNCC1CC1 273464a_100000685387_100000736359 [0,1,0,1,0,0|2,0,0]=4 1965 B13R1.729 CC#CCNC(=O)NNCC1CC1 512a_100000685387_100000736359 [0,1,0,1,0,0|2,0,0]=4 1966 B13R1.729 CC#CCNC(=O)NNCC1CC1 512a_100000736359_100000685387 [0,1,0,1,0,0|2,0,0]=4 1967 B13R1.23 CC#CCNC(=O)N1CCC(C1)O 273464a_100000685387_100011215560 [0,1,0,1,0,0|2,0,0]=4 1968 B13R1.23 CC#CCNC(=O)N1CC[C@@H](C1)F 273464a_100000685387_100015203821 [0,1,0,1,0,0|2,0,0]=4 1969 B13R1.23 CC#CCNC(=O)N1CC[C@H](C1)C 273464a_100000685387_100016987628 [0,1,0,1,0,0|2,0,0]=4 1970 B13R1.2748 CC#CCNC(=O)N1C[C@@H]([C@@H]1C)O 273464a_100000685387_206633788156 [0,1,0,1,0,0|2,0,0]=4 1971 B13R1.2750 CC#CCNC(=O)N1CC(C1)CC 273464a_100000685387_100015205115 [0,1,0,1,0,0|2,0,0]=4 1972 B13R1.3065 CC#CCNC(=O)NCC1(CC1)C 2708a_100000766693_100000685387 [0,1,0,1,0,0|2,0,0]=4 1973 B13R1.3065 CC#CCNC(=O)NCC1(CC1)C 273464a_100000685387_100000766693 [0,1,0,1,0,0|2,0,0]=4 1974 B13R1.3065 CC#CCNC(=O)NCC1(CC1)C 273464a_100000766693_100000685387 [0,1,0,1,0,0|2,0,0]=4 1975 B13R1.3065 CC#CCNC(=O)NCC1(CC1)C 512a_100000685387_100000766693 [0,1,0,1,0,0|2,0,0]=4 1976 B13R1.3065 CC#CCNC(=O)NCC1(CC1)C 512a_100000766693_100000685387 [0,1,0,1,0,0|2,0,0]=4 1977 B13R1.3065 CC#CCNC(=O)NCC1(CC1)O 2708a_100011936951_100000685387 [0,1,0,1,0,0|2,0,0]=4 1978 B13R1.3065 CC#CCNC(=O)NCC1(CC1)O 273464a_100000685387_100011936951 [0,1,0,1,0,0|2,0,0]=4 1979 B13R1.3065 CC#CCNC(=O)NCC1(CC1)O 512a_100000685387_100011936951 [0,1,0,1,0,0|2,0,0]=4 1980 B13R1.3065 CC#CCNC(=O)NCC1(CC1)O 512a_100011936951_100000685387 [0,1,0,1,0,0|2,0,0]=4 1981 B13R1.727 CC#CCNC(=O)NC1CC(C1)F 2708a_100016993743_100000685387 [0,1,0,1,0,0|2,0,0]=4 1982 B13R1.727 CC#CCNC(=O)NC1CC(C1)F 273464a_100000685387_100016993743 [0,1,0,1,0,0|2,0,0]=4 1983 B13R1.727 CC#CCNC(=O)NC1CC(C1)F 273464a_100016993743_100000685387 [0,1,0,1,0,0|2,0,0]=4 1984 B13R1.727 CC#CCNC(=O)NC1CC(C1)F 512a_100000685387_100016993743 [0,1,0,1,0,0|2,0,0]=4 1985 B13R1.727 CC#CCNC(=O)NC1CC(C1)F 512a_100016993743_100000685387 [0,1,0,1,0,0|2,0,0]=4 1986 B13R1.727 CC#CCNC(=O)N[C@H]1C[C@@H](C1)O 273464a_100000685387_100020629032 [0,1,0,1,0,0|2,0,0]=4 1987 B13R1.727 CC#CCNC(=O)N[C@H]1C[C@@H](C1)O 273464a_100020629032_100000685387 [0,1,0,1,0,0|2,0,0]=4 1988 B13R1.727 CC#CCNC(=O)N[C@H]1C[C@@H](C1)O 512a_100000685387_100020629032 [0,1,0,1,0,0|2,0,0]=4 1989 B13R1.727 CC#CCNC(=O)N[C@H]1C[C@@H](C1)O 512a_100020629032_100000685387 [0,1,0,1,0,0|2,0,0]=4 1990 B13R1.2770 CC#CCNC(=O)NC1(CCC1)C 273464a_100000685387_100000692455 [0,1,0,1,0,0|2,0,0]=4 1991 B13R1.2770 CC#CCNC(=O)NC1(CCC1)C 273464a_100000692455_100000685387 [0,1,0,1,0,0|2,0,0]=4 1992 B13R1.2770 CC#CCNC(=O)NC1(CCC1)C 512a_100000685387_100000692455 [0,1,0,1,0,0|2,0,0]=4 1993 B13R1.2770 CC#CCNC(=O)NC1(CCC1)C 512a_100000692455_100000685387 [0,1,0,1,0,0|2,0,0]=4 1994 B13R1.2969 CC#CCNC(=O)NC(C)C1CC1 2708a_100000700016_100000685387 [0,1,0,1,0,0|2,0,0]=4 1995 B13R1.2969 CC#CCNC(=O)NC(C)C1CC1 273464a_100000685387_100000700016 [0,1,0,1,0,0|2,0,0]=4 1996 B13R1.2969 CC#CCNC(=O)NC(C)C1CC1 273464a_100000700016_100000685387 [0,1,0,1,0,0|2,0,0]=4 1997 B13R1.2969 CC#CCNC(=O)NC(C)C1CC1 512a_100000685387_100000700016 [0,1,0,1,0,0|2,0,0]=4 1998 B13R1.2969 CC#CCNC(=O)NC(C)C1CC1 512a_100000700016_100000685387 [0,1,0,1,0,0|2,0,0]=4 1999 B13R1.3135 CC#CCNC(=O)N(C)C1CCC1 273464a_100000685387_100000758072 [0,1,0,1,0,0|2,0,0]=4 2000 B13R1.3137 CC#CCNC(=O)N(C)CC1CC1 273464a_100000685387_100000741881 [0,1,0,1,0,0|2,0,0]=4