0 B12R0.98 C#CCN[C@@H](C)C(=O)NCC(=O)O 269956a_200011416764_100000184674 [0,0,0,0,0,0|3,0,1]=4 1 B12R0.98 C=C(C)CCC(=O)C(O)CCSC 1458a_100000685904_100000730704 [0,0,0,0,0,0|4,0,0]=4 2 B12R0.98 C=C(C)CNC(=O)C(C)CCCC 11a_100000765925_100000725509 [0,0,0,0,0,0|4,0,0]=4 3 B12R0.98 C=C(C)CNC(=O)C(C)CCCC 1626a_100000765925_100000725509 [0,0,0,0,0,0|4,0,0]=4 4 B12R0.98 C=C(C)CNC(=O)C(C)CCCC 240690a_100000765925_100000725509 [0,0,0,0,0,0|4,0,0]=4 5 B12R0.98 C=C(C)CNC(=O)C(C)CCCC 527a_100000765925_100000725509 [0,0,0,0,0,0|4,0,0]=4 6 B12R0.98 C=C(C)CNC(=O)C(O)CCCC 240690a_100000765925_100000720857 [0,0,0,0,0,0|4,0,0]=4 7 B12R0.98 C=C(C)CNC(=O)C(O)CCCC 527a_100000765925_100000720857 [0,0,0,0,0,0|4,0,0]=4 8 B12R0.98 C=C(C)CNC(=O)C(O)CCSC 240690a_100000765925_100000685904 [0,0,0,0,0,0|3,0,0]=3 9 B12R0.98 C=C(C)CNC(=O)N(C)CCSC 2708a_100000765925_100000686725 [0,0,0,0,0,0|4,0,0]=4 10 B12R0.98 C=C(C)CNC(=O)N(C)CCSC 273464a_100000765925_100000686725 [0,0,0,0,0,0|4,0,0]=4 11 B12R0.98 C=CCN[C@@H](C)C(=O)NCC(=O)O 269956a_200011416764_100000210623 [0,0,0,0,0,0|3,0,1]=4 12 B12R0.98 CCCCC(C)C(=O)CCC(=O)N 1458a_100011215257_200011215066 [0,0,0,0,0,0|4,0,0]=4 13 B12R0.98 CCCCC(C)C(=O)NCC(=O)N 11a_100000711301_100000725509 [0,0,0,0,0,0|3,0,0]=3 14 B12R0.98 CCCCC(C)C(=O)NCC(=O)N 240690a_100000711301_100000725509 [0,0,0,0,0,0|3,0,0]=3 15 B12R0.98 CCCCC(C)C(=O)NCC(=O)N 527a_100000711301_100000725509 [0,0,0,0,0,0|3,0,0]=3 16 B12R0.98 CCCCC(C)C(=O)NCC(C)O 11a_100000210904_100000725509 [0,0,0,0,0,0|3,0,1]=4 17 B12R0.98 CCCCC(C)C(=O)NCC(C)O 240690a_100000210904_100000725509 [0,0,0,0,0,0|3,0,1]=4 18 B12R0.98 CCCCC(C)C(=O)NCC(C)O 527a_100000210904_100000725509 [0,0,0,0,0,0|3,0,1]=4 19 B12R0.98 CCCCC(C)C(=O)NNC(=O)C 22a_100000189765_100000725509 [0,0,0,0,0,0|4,0,0]=4 20 B12R0.98 CCCCC(O)C(=O)NCC(=O)N 240690a_100000711301_100000720857 [0,0,0,0,0,0|3,0,0]=3 21 B12R0.98 CCCCC(O)C(=O)NCC(=O)N 527a_100000711301_100000720857 [0,0,0,0,0,0|3,0,0]=3 22 B12R0.98 CCCCC(O)C(=O)NCC(C)O 240690a_100000210904_100000720857 [0,0,0,0,0,0|3,0,1]=4 23 B12R0.98 CCCCC(O)C(=O)NCC(C)O 527a_100000210904_100000720857 [0,0,0,0,0,0|3,0,1]=4 24 B12R0.98 CCCCC(O)C(=O)NNC(=O)C 22a_100000189765_100000720857 [0,0,0,0,0,0|4,0,0]=4 25 B12R0.98 CCCCN(C)C(=O)NCC(=O)N 273464a_100000711301_100000207549 [0,0,0,0,0,0|4,0,0]=4 26 B12R0.98 CCCN[C@@H](C)C(=O)NCC(=O)O 269956a_200011416764_100000210207 [0,0,0,0,0,0|3,0,0]=3 27 B12R0.98 COCCN(C)C(=O)NCC(=O)N 273464a_100000711301_100000743101 [0,0,0,0,0,0|3,1,0]=4 28 B12R0.98 COCN[C@@H](C)C(=O)NCC(=O)O 269956a_200011416764_100000766300 [0,0,0,0,0,0|2,1,0]=3 29 B12R0.98 CSCCC(O)C(=O)CCC(C)O 1458a_100000685904_100012276601 [0,0,0,0,0,0|3,0,1]=4 30 B12R0.98 CSCCC(O)C(=O)NCC(=O)N 240690a_100000711301_100000685904 [0,0,0,0,0,0|2,0,0]=2 31 B12R0.98 CSCCC(O)C(=O)NCC(C)C 240690a_100000210953_100000685904 [0,0,0,0,0,0|3,0,1]=4 32 B12R0.98 CSCCC(O)C(=O)NCC(C)O 240690a_100000210904_100000685904 [0,0,0,0,0,0|2,0,1]=3 33 B12R0.98 CSCCC(O)C(=O)NCC(F)F 240690a_100000765723_100000685904 [0,0,0,0,0,0|3,0,1]=4 34 B12R0.98 CSCCC(O)C(=O)NNC(=O)C 22a_100000189765_100000685904 [0,0,0,0,0,0|3,0,0]=3 35 B12R0.98 CSCCN(C)C(=O)CCC(=O)N 240690a_100000686725_100011215257 [0,0,0,0,0,0|4,0,0]=4 36 B12R0.98 CSCCN(C)C(=O)CCC(=O)N 527a_100000686725_100011215257 [0,0,0,0,0,0|4,0,0]=4 37 B12R0.98 CSCCN(C)C(=O)NCC(=O)N 273464a_100000711301_100000686725 [0,0,0,0,0,0|3,0,0]=3 38 B12R0.98 CSCCN(C)C(=O)NCC(C)O 273464a_100000210904_100000686725 [0,0,0,0,0,0|3,0,1]=4 39 B12R0.98 CSCN[C@@H](C)C(=O)NCC(=O)O 269956a_200011416764_100011218213 [0,0,0,0,0,0|2,0,0]=2 40 B12R0.98 C[C@H](NCC#N)C(=O)NCC(=O)O 269956a_200011416764_100011215382 [0,0,0,0,0,0|4,0,0]=4 41 B12R0.98 C[C@H](NCC=O)C(=O)NCC(=O)O 269956a_200011416764_200015260668 [0,0,0,0,0,0|4,0,0]=4 42 B12R0.98 C[C@H](NCCF)C(=O)NCC(=O)O 269956a_200011416764_100011217306 [0,0,0,0,0,0|4,0,0]=4 43 B12R0.98 C[C@H](NCCO)C(=O)NCC(=O)O 269956a_200011416764_100000211926 [0,0,0,0,0,0|4,0,0]=4 44 B11R0.11 C#CCNC(=O)C(O)CCSC 240690a_100000212058_100000685904 [1,0,0,0,0,0|2,0,1]=4 45 B11R0.11 C=CCCC(=O)C(O)CCSC 1458a_100000685904_100000754431 [1,0,0,0,0,0|3,0,0]=4 46 B11R0.11 C=CCNC(=O)C(C)CCCC 1626a_100020586998_100000725509 [1,0,0,0,0,0|3,0,0]=4 47 B11R0.11 C=CCNC(=O)C(C)CCCC 240690a_100020586998_100000725509 [1,0,0,0,0,0|3,0,0]=4 48 B11R0.11 C=CCNC(=O)C(C)CCCC 527a_100020586998_100000725509 [1,0,0,0,0,0|3,0,0]=4 49 B11R0.11 C=CCNC(=O)C(C)SCSC 62a_100000230288_100011218213 [1,0,0,0,0,0|3,0,0]=4 50 B11R0.11 C=CCNC(=O)C(C)SCSC 62a_100011218213_100000230288 [1,0,0,0,0,0|3,0,0]=4 51 B11R0.11 C=CCNC(=O)C(O)CCCC 240690a_100020586998_100000720857 [1,0,0,0,0,0|3,0,0]=4 52 B11R0.11 C=CCNC(=O)C(O)CCCC 527a_100020586998_100000720857 [1,0,0,0,0,0|3,0,0]=4 53 B11R0.11 C=CCNC(=O)C(O)CCSC 240690a_100020586998_100000685904 [1,0,0,0,0,0|2,0,0]=3 54 B11R0.11 C=CCNC(=O)N(C)CCSC 273464a_100020586998_100000686725 [1,0,0,0,0,0|3,0,0]=4 55 B11R0.11 CCCCC(C)C(=O)NCCO 240690a_100000210304_100000725509 [1,0,0,0,0,0|2,0,1]=4 56 B11R0.11 CCCCC(C)C(=O)NCCO 527a_100000210304_100000725509 [1,0,0,0,0,0|2,0,1]=4 57 B11R0.11 CCCCC(O)C(=O)NCCO 240690a_100000210304_100000720857 [1,0,0,0,0,0|2,0,1]=4 58 B11R0.11 CCCCC(O)C(=O)NCCO 527a_100000210304_100000720857 [1,0,0,0,0,0|2,0,1]=4 59 B11R0.11 CCCNC(=O)C(O)CCSC 240690a_100020643023_100000685904 [1,0,0,0,0,0|2,0,1]=4 60 B11R0.11 CSCCC(O)C(=O)CCCO 1458a_100000685904_100011215043 [1,0,0,0,0,0|2,0,1]=4 61 B11R0.11 CSCCC(O)C(=O)NCCF 240690a_100000724931_100000685904 [1,0,0,0,0,0|2,0,1]=4 62 B11R0.11 CSCCC(O)C(=O)NCCO 240690a_100000210304_100000685904 [1,0,0,0,0,0|1,0,1]=3 63 B11R0.11 CSCCN(C)C(=O)NCCO 273464a_100000210304_100000686725 [1,0,0,0,0,0|2,0,1]=4 64 B11R0.46 C#CCCCC(=O)NCC(=O)N 11a_100000711301_100000690238 [1,0,0,0,0,0|2,0,1]=4 65 B11R0.46 C#CCCCC(=O)NCC(=O)N 240690a_100000711301_100000690238 [1,0,0,0,0,0|2,0,1]=4 66 B11R0.46 C#CCCCC(=O)NCC(=O)N 527a_100000711301_100000690238 [1,0,0,0,0,0|2,0,1]=4 67 B11R0.46 C#CCNCC(=O)NCC(=O)O 269956a_100000183575_100000184674 [1,0,0,0,0,0|2,0,1]=4 68 B11R0.46 C=C(C)CCC(=O)CCCSC 1458a_100000173376_100000730704 [1,0,0,0,0,0|3,0,0]=4 69 B11R0.46 C=C(C)CNC(=O)CCCCC 11a_100000765925_100000212188 [1,0,0,0,0,0|3,0,0]=4 70 B11R0.46 C=C(C)CNC(=O)CCCCC 1626a_100000765925_100000212188 [1,0,0,0,0,0|3,0,0]=4 71 B11R0.46 C=C(C)CNC(=O)CCCCC 240690a_100000765925_100000212188 [1,0,0,0,0,0|3,0,0]=4 72 B11R0.46 C=C(C)CNC(=O)CCCCC 527a_100000765925_100000212188 [1,0,0,0,0,0|3,0,0]=4 73 B11R0.46 C=C(C)CNC(=O)CCCOC 11a_100000765925_100000741012 [1,0,0,0,0,0|2,1,0]=4 74 B11R0.46 C=C(C)CNC(=O)CCCOC 1626a_100000765925_100000741012 [1,0,0,0,0,0|2,1,0]=4 75 B11R0.46 C=C(C)CNC(=O)CCCOC 240690a_100000765925_100000741012 [1,0,0,0,0,0|2,1,0]=4 76 B11R0.46 C=C(C)CNC(=O)CCCOC 527a_100000765925_100000741012 [1,0,0,0,0,0|2,1,0]=4 77 B11R0.46 C=C(C)CNC(=O)CCCSC 11a_100000765925_100000173376 [1,0,0,0,0,0|2,0,0]=3 78 B11R0.46 C=C(C)CNC(=O)CCCSC 1626a_100000765925_100000173376 [1,0,0,0,0,0|2,0,0]=3 79 B11R0.46 C=C(C)CNC(=O)CCCSC 240690a_100000765925_100000173376 [1,0,0,0,0,0|2,0,0]=3 80 B11R0.46 C=C(C)CNC(=O)CCCSC 527a_100000765925_100000173376 [1,0,0,0,0,0|2,0,0]=3 81 B11R0.46 C=C(C)CNC(=O)NCCSC 2708a_100000765925_100020590264 [1,0,0,0,0,0|3,0,0]=4 82 B11R0.46 C=C(C)CNC(=O)NCCSC 2708a_100020590264_100000765925 [1,0,0,0,0,0|3,0,0]=4 83 B11R0.46 C=C(C)CNC(=O)NCCSC 273464a_100000765925_100020590264 [1,0,0,0,0,0|3,0,0]=4 84 B11R0.46 C=C(C)CNC(=O)NCCSC 273464a_100020590264_100000765925 [1,0,0,0,0,0|3,0,0]=4 85 B11R0.46 C=C(C)CNC(=O)NCCSC 512a_100000765925_100020590264 [1,0,0,0,0,0|3,0,0]=4 86 B11R0.46 C=C(C)CNC(=O)NCCSC 512a_100020590264_100000765925 [1,0,0,0,0,0|3,0,0]=4 87 B11R0.46 C=CCCCC(=O)NCC(=O)N 11a_100000711301_100000766728 [1,0,0,0,0,0|2,0,1]=4 88 B11R0.46 C=CCCCC(=O)NCC(=O)N 240690a_100000711301_100000766728 [1,0,0,0,0,0|2,0,1]=4 89 B11R0.46 C=CCCCC(=O)NCC(=O)N 527a_100000711301_100000766728 [1,0,0,0,0,0|2,0,1]=4 90 B11R0.46 C=CCNCC(=O)NCC(=O)O 269956a_100000183575_100000210623 [1,0,0,0,0,0|2,0,1]=4 91 B11R0.46 CC(C)CNC(=O)CCCS[13CH3] 62a_100011194448_200025704644 [1,0,0,0,0,0|2,0,1]=4 92 B11R0.46 CC(C)CNC(=O)CCCS[13CH3] 62a_200025704644_100011194448 [1,0,0,0,0,0|2,0,1]=4 93 B11R0.46 CCCCCC(=O)CCC(=O)N 1458a_100011215257_100000210326 [1,0,0,0,0,0|3,0,0]=4 94 B11R0.46 CCCCCC(=O)NCC(=O)N 11a_100000711301_100000212188 [1,0,0,0,0,0|2,0,0]=3 95 B11R0.46 CCCCCC(=O)NCC(=O)N 240690a_100000711301_100000212188 [1,0,0,0,0,0|2,0,0]=3 96 B11R0.46 CCCCCC(=O)NCC(=O)N 527a_100000711301_100000212188 [1,0,0,0,0,0|2,0,0]=3 97 B11R0.46 CCCCCC(=O)NCC(C)O 11a_100000210904_100000212188 [1,0,0,0,0,0|2,0,1]=4 98 B11R0.46 CCCCCC(=O)NCC(C)O 240690a_100000210904_100000212188 [1,0,0,0,0,0|2,0,1]=4 99 B11R0.46 CCCCCC(=O)NCC(C)O 527a_100000210904_100000212188 [1,0,0,0,0,0|2,0,1]=4 100 B11R0.46 CCCCCC(=O)NNC(=O)C 22a_100000189765_100000212188 [1,0,0,0,0,0|3,0,0]=4 101 B11R0.46 CCCCCC(=O)NNC(=O)C 22a_100000189784_100000070787 [1,0,0,0,0,0|3,0,0]=4 102 B11R0.46 CCCCCC(C)NCC(=O)O 269956a_100016091260_200011218191 [1,0,0,0,0,0|2,0,1]=4 103 B11R0.46 CCCCNC(=O)NCC(=O)N 2708a_100000102301_100000711301 [1,0,0,0,0,0|3,0,0]=4 104 B11R0.46 CCCCNC(=O)NCC(=O)N 273464a_100000102301_100000711301 [1,0,0,0,0,0|3,0,0]=4 105 B11R0.46 CCCCNC(=O)NCC(=O)N 273464a_100000711301_100000102301 [1,0,0,0,0,0|3,0,0]=4 106 B11R0.46 CCCCNC(=O)NCC(=O)N 512a_100000102301_100000711301 [1,0,0,0,0,0|3,0,0]=4 107 B11R0.46 CCCNCC(=O)NCC(=O)O 269956a_100000183575_100000210207 [1,0,0,0,0,0|2,0,0]=3 108 B11R0.46 CCCOCC(=O)NCC(=O)N 11a_100000711301_100000745993 [1,0,0,0,0,0|3,0,0]=4 109 B11R0.46 CCCOCC(=O)NCC(=O)N 240690a_100000711301_100000745993 [1,0,0,0,0,0|3,0,0]=4 110 B11R0.46 CCCOCC(=O)NCC(=O)N 527a_100000711301_100000745993 [1,0,0,0,0,0|3,0,0]=4 111 B11R0.46 CCCSCC(=O)NCC(=O)N 11a_100000711301_100000217233 [1,0,0,0,0,0|3,0,0]=4 112 B11R0.46 CCCSCC(=O)NCC(=O)N 240690a_100000711301_100000217233 [1,0,0,0,0,0|3,0,0]=4 113 B11R0.46 CCCSCC(=O)NCC(=O)N 527a_100000711301_100000217233 [1,0,0,0,0,0|3,0,0]=4 114 B11R0.46 CCNCCC(=O)NCC(=O)O 269956a_100000722369_100000210202 [1,0,0,0,0,0|2,0,0]=3 115 B11R0.46 CCOCCC(=O)NCC(=O)N 11a_100000711301_100000749530 [1,0,0,0,0,0|3,0,0]=4 116 B11R0.46 CCOCCC(=O)NCC(=O)N 240690a_100000711301_100000749530 [1,0,0,0,0,0|3,0,0]=4 117 B11R0.46 CCOCCC(=O)NCC(=O)N 527a_100000711301_100000749530 [1,0,0,0,0,0|3,0,0]=4 118 B11R0.46 CCSCCC(=O)NCC(=O)N 11a_100000711301_100000230768 [1,0,0,0,0,0|3,0,0]=4 119 B11R0.46 CCSCCC(=O)NCC(=O)N 240690a_100000711301_100000230768 [1,0,0,0,0,0|3,0,0]=4 120 B11R0.46 CCSCCC(=O)NCC(=O)N 527a_100000711301_100000230768 [1,0,0,0,0,0|3,0,0]=4 121 B11R0.46 COCCCC(=O)CCC(=O)N 1458a_100011215257_100000740836 [1,0,0,0,0,0|2,1,0]=4 122 B11R0.46 COCCCC(=O)NCC(=O)N 11a_100000711301_100000741012 [1,0,0,0,0,0|1,1,0]=3 123 B11R0.46 COCCCC(=O)NCC(=O)N 240690a_100000711301_100000741012 [1,0,0,0,0,0|1,1,0]=3 124 B11R0.46 COCCCC(=O)NCC(=O)N 527a_100000711301_100000741012 [1,0,0,0,0,0|1,1,0]=3 125 B11R0.46 COCCCC(=O)NCC(C)O 11a_100000210904_100000741012 [1,0,0,0,0,0|1,1,1]=4 126 B11R0.46 COCCCC(=O)NCC(C)O 240690a_100000210904_100000741012 [1,0,0,0,0,0|1,1,1]=4 127 B11R0.46 COCCCC(=O)NCC(C)O 527a_100000210904_100000741012 [1,0,0,0,0,0|1,1,1]=4 128 B11R0.46 COCCCC(=O)NNC(=O)C 22a_100000189765_100000741012 [1,0,0,0,0,0|2,1,0]=4 129 B11R0.46 COCCNC(=O)NCC(=O)N 273464a_100000209980_100000711301 [1,0,0,0,0,0|2,1,0]=4 130 B11R0.46 COCCNC(=O)NCC(=O)N 273464a_100000711301_100000209980 [1,0,0,0,0,0|2,1,0]=4 131 B11R0.46 COCNCC(=O)NCC(=O)O 269956a_100000183575_100000766300 [1,0,0,0,0,0|1,1,0]=3 132 B11R0.46 CSCCCC(=O)CCC(C)O 1458a_100000173376_100012276601 [1,0,0,0,0,0|2,0,1]=4 133 B11R0.46 CSCCCC(=O)NCC(=O)N 11a_100000711301_100000173376 [1,0,0,0,0,0|1,0,0]=2 134 B11R0.46 CSCCCC(=O)NCC(=O)N 240690a_100000711301_100000173376 [1,0,0,0,0,0|1,0,0]=2 135 B11R0.46 CSCCCC(=O)NCC(=O)N 527a_100000711301_100000173376 [1,0,0,0,0,0|1,0,0]=2 136 B11R0.46 CSCCCC(=O)NCC(C)C 11a_100000210953_100000173376 [1,0,0,0,0,0|2,0,1]=4 137 B11R0.46 CSCCCC(=O)NCC(C)C 1626a_100000210953_100000173376 [1,0,0,0,0,0|2,0,1]=4 138 B11R0.46 CSCCCC(=O)NCC(C)C 240690a_100000210953_100000173376 [1,0,0,0,0,0|2,0,1]=4 139 B11R0.46 CSCCCC(=O)NCC(C)C 527a_100000210953_100000173376 [1,0,0,0,0,0|2,0,1]=4 140 B11R0.46 CSCCCC(=O)NCC(C)C 62a_100011194448_200000210301 [1,0,0,0,0,0|2,0,1]=4 141 B11R0.46 CSCCCC(=O)NCC(C)C 62a_200000210301_100011194448 [1,0,0,0,0,0|2,0,1]=4 142 B11R0.46 CSCCCC(=O)NCC(C)O 11a_100000210904_100000173376 [1,0,0,0,0,0|1,0,1]=3 143 B11R0.46 CSCCCC(=O)NCC(C)O 240690a_100000210904_100000173376 [1,0,0,0,0,0|1,0,1]=3 144 B11R0.46 CSCCCC(=O)NCC(C)O 527a_100000210904_100000173376 [1,0,0,0,0,0|1,0,1]=3 145 B11R0.46 CSCCCC(=O)NCC(F)F 11a_100000765723_100000173376 [1,0,0,0,0,0|2,0,1]=4 146 B11R0.46 CSCCCC(=O)NCC(F)F 1626a_100000765723_100000173376 [1,0,0,0,0,0|2,0,1]=4 147 B11R0.46 CSCCCC(=O)NCC(F)F 240690a_100000765723_100000173376 [1,0,0,0,0,0|2,0,1]=4 148 B11R0.46 CSCCCC(=O)NCC(F)F 527a_100000765723_100000173376 [1,0,0,0,0,0|2,0,1]=4 149 B11R0.46 CSCCCC(=O)NNC(=O)C 22a_100000189765_100000173376 [1,0,0,0,0,0|2,0,0]=3 150 B11R0.46 CSCCNC(=O)CCC(=O)N 240690a_100020590264_100011215257 [1,0,0,0,0,0|3,0,0]=4 151 B11R0.46 CSCCNC(=O)CCC(=O)N 527a_100020590264_100011215257 [1,0,0,0,0,0|3,0,0]=4 152 B11R0.46 CSCCNC(=O)NCC(=O)N 2708a_100020590264_100000711301 [1,0,0,0,0,0|2,0,0]=3 153 B11R0.46 CSCCNC(=O)NCC(=O)N 273464a_100000711301_100020590264 [1,0,0,0,0,0|2,0,0]=3 154 B11R0.46 CSCCNC(=O)NCC(=O)N 273464a_100020590264_100000711301 [1,0,0,0,0,0|2,0,0]=3 155 B11R0.46 CSCCNC(=O)NCC(=O)N 512a_100020590264_100000711301 [1,0,0,0,0,0|2,0,0]=3 156 B11R0.46 CSCCNC(=O)NCC(C)O 2708a_100020590264_100000210904 [1,0,0,0,0,0|2,0,1]=4 157 B11R0.46 CSCCNC(=O)NCC(C)O 273464a_100000210904_100020590264 [1,0,0,0,0,0|2,0,1]=4 158 B11R0.46 CSCCNC(=O)NCC(C)O 273464a_100020590264_100000210904 [1,0,0,0,0,0|2,0,1]=4 159 B11R0.46 CSCCNC(=O)NCC(C)O 512a_100000210904_100020590264 [1,0,0,0,0,0|2,0,1]=4 160 B11R0.46 CSCCNC(=O)NCC(C)O 512a_100020590264_100000210904 [1,0,0,0,0,0|2,0,1]=4 161 B11R0.46 CSCCNC(=O)NNC(=O)C 273464a_100020590264_100000189765 [1,0,0,0,0,0|3,0,0]=4 162 B11R0.46 CSCCNC(=O)NNC(=O)C 512a_100000189765_100020590264 [1,0,0,0,0,0|3,0,0]=4 163 B11R0.46 CSCNCC(=O)NCC(=O)O 269956a_100000183575_100011218213 [1,0,0,0,0,0|1,0,0]=2 164 B11R0.46 CSCSCC(=O)NNC(=O)C 62a_100000181415_100011218213 [1,0,0,0,0,0|3,0,0]=4 165 B11R0.46 CSCSCC(=O)NNC(=O)C 62a_100011218213_100000181415 [1,0,0,0,0,0|3,0,0]=4 166 B11R0.46 N#CCCCC(=O)NCC(=O)N 11a_100000711301_100000075515 [1,0,0,0,0,0|3,0,0]=4 167 B11R0.46 N#CCCCC(=O)NCC(=O)N 240690a_100000711301_100000075515 [1,0,0,0,0,0|3,0,0]=4 168 B11R0.46 N#CCCCC(=O)NCC(=O)N 527a_100000711301_100000075515 [1,0,0,0,0,0|3,0,0]=4 169 B11R0.46 N#CCNCC(=O)NCC(=O)O 269956a_100000183575_100011215382 [1,0,0,0,0,0|3,0,0]=4 170 B11R0.46 O=C(O)CNC(=O)CCNCF 269956a_100000722369_100015361967 [1,0,0,0,0,0|3,0,0]=4 171 B11R0.46 O=C(O)CNC(=O)CNCCF 269956a_100000183575_100011217306 [1,0,0,0,0,0|3,0,0]=4 172 B11R0.46 O=C(O)CNC(=O)CNCCO 269956a_100000183575_100000211926 [1,0,0,0,0,0|3,0,0]=4 173 B11R0.46 O=CCNCC(=O)NCC(=O)O 269956a_100000183575_200015260668 [1,0,0,0,0,0|3,0,0]=4 174 B11R0.59 C=C(C)CNC(=O)C(C)CCC 11a_100000765925_100000210906 [1,0,0,0,0,0|3,0,0]=4 175 B11R0.59 C=C(C)CNC(=O)C(C)CCC 1626a_100000765925_100000210906 [1,0,0,0,0,0|3,0,0]=4 176 B11R0.59 C=C(C)CNC(=O)C(C)CCC 240690a_100000765925_100000210906 [1,0,0,0,0,0|3,0,0]=4 177 B11R0.59 C=C(C)CNC(=O)C(C)CCC 527a_100000765925_100000210906 [1,0,0,0,0,0|3,0,0]=4 178 B11R0.59 C=C(C)CNC(=O)C(C)CSC 11a_100000765925_100000753918 [1,0,0,0,0,0|3,0,0]=4 179 B11R0.59 C=C(C)CNC(=O)C(C)CSC 1626a_100000765925_100000753918 [1,0,0,0,0,0|3,0,0]=4 180 B11R0.59 C=C(C)CNC(=O)C(C)CSC 240690a_100000765925_100000753918 [1,0,0,0,0,0|3,0,0]=4 181 B11R0.59 C=C(C)CNC(=O)C(C)CSC 527a_100000765925_100000753918 [1,0,0,0,0,0|3,0,0]=4 182 B11R0.59 C=C(C)CNC(=O)[C@@H](O)CCC 240690a_100000765925_100009822183 [1,0,0,0,0,0|3,0,0]=4 183 B11R0.59 CCCC(C)C(=O)CCC(=O)N 1458a_100011215257_100000766640 [1,0,0,0,0,0|3,0,0]=4 184 B11R0.59 CCCC(C)C(=O)NCC(=O)N 11a_100000711301_100000210906 [1,0,0,0,0,0|2,0,0]=3 185 B11R0.59 CCCC(C)C(=O)NCC(=O)N 240690a_100000711301_100000210906 [1,0,0,0,0,0|2,0,0]=3 186 B11R0.59 CCCC(C)C(=O)NCC(=O)N 527a_100000711301_100000210906 [1,0,0,0,0,0|2,0,0]=3 187 B11R0.59 CCCC(C)C(=O)NCC(C)O 11a_100000210904_100000210906 [1,0,0,0,0,0|2,0,1]=4 188 B11R0.59 CCCC(C)C(=O)NCC(C)O 240690a_100000210904_100000210906 [1,0,0,0,0,0|2,0,1]=4 189 B11R0.59 CCCC(C)C(=O)NCC(C)O 527a_100000210904_100000210906 [1,0,0,0,0,0|2,0,1]=4 190 B11R0.59 CCCC(C)C(=O)NNC(=O)C 22a_100000189765_100000210906 [1,0,0,0,0,0|3,0,0]=4 191 B11R0.59 CCCN(C)C(=O)NCC(=O)N 273464a_100000711301_100000747261 [1,0,0,0,0,0|3,0,0]=4 192 B11R0.59 CCC[C@H](O)C(=O)NCC(=O)N 240690a_100000711301_100009822183 [1,0,0,0,0,0|2,0,0]=3 193 B11R0.59 CCC[C@H](O)C(=O)NCC(C)O 240690a_100000210904_100009822183 [1,0,0,0,0,0|2,0,1]=4 194 B11R0.59 CCC[C@H](O)C(=O)NNC(=O)C 22a_100000189765_100009822183 [1,0,0,0,0,0|3,0,0]=4 195 B11R0.59 CCN[C@@H](C)C(=O)NCC(=O)O 269956a_200011416764_100000210202 [1,0,0,0,0,0|2,0,0]=3 196 B11R0.59 CCOC(C)C(=O)NCC(=O)N 11a_100000711301_100000739345 [1,0,0,0,0,0|3,0,0]=4 197 B11R0.59 CCOC(C)C(=O)NCC(=O)N 240690a_100000711301_100000739345 [1,0,0,0,0,0|3,0,0]=4 198 B11R0.59 CCOC(C)C(=O)NCC(=O)N 527a_100000711301_100000739345 [1,0,0,0,0,0|3,0,0]=4 199 B11R0.59 CCSC(C)C(=O)NCC(=O)N 11a_100000711301_100000230601 [1,0,0,0,0,0|3,0,0]=4 200 B11R0.59 CCSC(C)C(=O)NCC(=O)N 240690a_100000711301_100000230601 [1,0,0,0,0,0|3,0,0]=4 201 B11R0.59 CCSC(C)C(=O)NCC(=O)N 527a_100000711301_100000230601 [1,0,0,0,0,0|3,0,0]=4 202 B11R0.59 COCC(C)C(=O)NCC(=O)N 11a_100000711301_100000751857 [1,0,0,0,0,0|2,1,0]=4 203 B11R0.59 COCC(C)C(=O)NCC(=O)N 240690a_100000711301_100000751857 [1,0,0,0,0,0|2,1,0]=4 204 B11R0.59 COCC(C)C(=O)NCC(=O)N 527a_100000711301_100000751857 [1,0,0,0,0,0|2,1,0]=4 205 B11R0.59 CSCC(C)C(=O)NCC(=O)N 11a_100000711301_100000753918 [1,0,0,0,0,0|2,0,0]=3 206 B11R0.59 CSCC(C)C(=O)NCC(=O)N 240690a_100000711301_100000753918 [1,0,0,0,0,0|2,0,0]=3 207 B11R0.59 CSCC(C)C(=O)NCC(=O)N 527a_100000711301_100000753918 [1,0,0,0,0,0|2,0,0]=3 208 B11R0.59 CSCC(C)C(=O)NCC(C)O 11a_100000210904_100000753918 [1,0,0,0,0,0|2,0,1]=4 209 B11R0.59 CSCC(C)C(=O)NCC(C)O 240690a_100000210904_100000753918 [1,0,0,0,0,0|2,0,1]=4 210 B11R0.59 CSCC(C)C(=O)NCC(C)O 527a_100000210904_100000753918 [1,0,0,0,0,0|2,0,1]=4 211 B11R0.59 CSCC(C)C(=O)NNC(=O)C 22a_100000189765_100000753918 [1,0,0,0,0,0|3,0,0]=4 212 B11R0.59 C[C@H](NCF)C(=O)NCC(=O)O 269956a_200011416764_100015361967 [1,0,0,0,0,0|3,0,0]=4 213 B11R0.147 CSCC[C@H](N)COCC(=O)N 34a_100011827619_100000187820 [1,0,0,0,0,0|2,0,1]=4 214 B11R0.147 CSCC[C@H](N)COCC(=O)[O-] 34a_100011827619_100020667443 [1,0,0,0,0,0|1,0,2]=4 215 B13R0.40 CCC(=O)NNC(=O)C(O)CCSC 22a_100000183195_100000685904 [0,1,0,0,0,0|3,0,0]=4 216 B13R0.40 CCC(O)CNC(=O)C(O)CCSC 240690a_100011218483_100000685904 [0,1,0,0,0,0|2,0,1]=4 217 B13R0.40 CCCCC(C)C(=O)CCC(=O)OC 1458a_100000187943_200011215066 [0,1,0,0,0,0|3,0,0]=4 218 B13R0.40 CCCCC(C)C(=O)NCC(=O)NC 11a_100000693194_100000725509 [0,1,0,0,0,0|3,0,0]=4 219 B13R0.40 CCCCC(C)C(=O)NCC(=O)NC 240690a_100000693194_100000725509 [0,1,0,0,0,0|3,0,0]=4 220 B13R0.40 CCCCC(C)C(=O)NCC(=O)NC 527a_100000693194_100000725509 [0,1,0,0,0,0|3,0,0]=4 221 B13R0.40 CCCCC(C)C(=O)NCC(=O)OC 188690a_100000185156_100000725509 [0,1,0,0,0,0|2,0,0]=3 222 B13R0.40 CCCCC(O)C(=O)NCC(=O)NC 240690a_100000693194_100000720857 [0,1,0,0,0,0|3,0,0]=4 223 B13R0.40 CCCCC(O)C(=O)NCC(=O)NC 527a_100000693194_100000720857 [0,1,0,0,0,0|3,0,0]=4 224 B13R0.40 CCCCC(O)C(=O)NCC(=O)OC 188690a_100000185156_100000720857 [0,1,0,0,0,0|2,0,0]=3 225 B13R0.40 CNC(=O)CNC(=O)C(O)CCSC 240690a_100000693194_100000685904 [0,1,0,0,0,0|2,0,0]=3 226 B13R0.40 CNC(=O)CNC(=O)N(C)CCSC 273464a_100000693194_100000686725 [0,1,0,0,0,0|3,0,0]=4 227 B13R0.40 COC(=O)CCC(=O)N(C)CCSC 11a_100000686725_100000187943 [0,1,0,0,0,0|3,0,0]=4 228 B13R0.40 COC(=O)CCC(=O)N(C)CCSC 1626a_100000686725_100000187943 [0,1,0,0,0,0|3,0,0]=4 229 B13R0.40 COC(=O)CCC(=O)N(C)CCSC 240690a_100000686725_100000187943 [0,1,0,0,0,0|3,0,0]=4 230 B13R0.40 COC(=O)CCC(=O)N(C)CCSC 527a_100000686725_100000187943 [0,1,0,0,0,0|3,0,0]=4 231 B13R0.40 COC(=O)CNC(=O)C(O)CCSC 188690a_100000185156_100000685904 [0,1,0,0,0,0|1,0,0]=2 232 B13R0.40 CO[C@H](C)CNC(=O)C(O)CCSC 240690a_100020591295_100000685904 [0,1,0,0,0,0|2,0,1]=4 233 B13R0.40 CSCCC(O)C(=O)NCC(C)CO 240690a_100000744482_100000685904 [0,1,0,0,0,0|2,0,1]=4 234 B13R0.40 CSCCC(O)C(=O)NC[C@@H](F)CO 240690a_100015665980_100000685904 [0,1,0,0,0,0|2,0,1]=4 235 B13R0.40 CSCCC(O)C(=O)NC[C@H](O)CO 240690a_100020644852_100000685904 [0,1,0,0,0,0|1,0,2]=4 236 B13R0.42 CSCCC(O)C(=O)NCC(C)(C)O 240690a_100000751335_100000685904 [0,1,0,0,0,0|2,0,1]=4 237 B13R0.73 CCC(C)N[C@@H](C)C(=O)NCC(=O)O 269956a_200011416764_100000758301 [0,1,0,0,0,0|3,0,0]=4 238 B13R0.73 COC(C)N[C@@H](C)C(=O)NCC(=O)O 269956a_200011416764_100009879195 [0,1,0,0,0,0|2,1,0]=4 239 B13R0.128 CCCCC(C)C(=O)N[C@H](C)C(=O)N 11a_100000119354_100000725509 [0,1,0,0,0,0|3,0,0]=4 240 B13R0.128 CCCCC(C)C(=O)N[C@H](C)C(=O)N 240690a_100000119354_100000725509 [0,1,0,0,0,0|3,0,0]=4 241 B13R0.128 CCCCC(C)C(=O)N[C@H](C)C(=O)N 527a_100000119354_100000725509 [0,1,0,0,0,0|3,0,0]=4 242 B13R0.128 CCCCC(O)C(=O)N[C@H](C)C(=O)N 240690a_100000119354_100000720857 [0,1,0,0,0,0|3,0,0]=4 243 B13R0.128 CCCCC(O)C(=O)N[C@H](C)C(=O)N 527a_100000119354_100000720857 [0,1,0,0,0,0|3,0,0]=4 244 B13R0.128 CCCN[C@@H](C)C(=O)N[C@@H](C)C(=O)O 269956a_100011424888_100000210207 [0,1,0,0,0,0|3,0,0]=4 245 B13R0.128 COCN[C@@H](C)C(=O)N[C@@H](C)C(=O)O 269956a_100011424888_100000766300 [0,1,0,0,0,0|2,1,0]=4 246 B13R0.128 CSCCC(O)C(=O)N[C@H](C)C(=O)N 240690a_100000119354_100000685904 [0,1,0,0,0,0|2,0,0]=3 247 B13R0.128 CSCCN(C)C(=O)N[C@H](C)C(=O)N 273464a_100000119354_100000686725 [0,1,0,0,0,0|3,0,0]=4 248 B13R0.128 CSCN[C@@H](C)C(=O)N[C@@H](C)C(=O)O 269956a_100011424888_100011218213 [0,1,0,0,0,0|2,0,0]=3 249 B13R0.139 C#CCCN[C@@H](C)C(=O)NCC(=O)O 269956a_200011416764_100000688953 [0,1,0,0,0,0|2,0,1]=4 250 B13R0.139 C/C=C/CN[C@@H](C)C(=O)NCC(=O)O 269956a_200011416764_100102629194 [0,1,0,0,0,0|2,0,1]=4 251 B13R0.139 C=CCCN[C@@H](C)C(=O)NCC(=O)O 269956a_200011416764_100000754431 [0,1,0,0,0,0|2,0,1]=4 252 B13R0.139 CC#CCN[C@@H](C)C(=O)NCC(=O)O 269956a_200011416764_100000748600 [0,1,0,0,0,0|2,0,1]=4 253 B13R0.139 CCCCCC(C)C(=O)NCC(=O)N 11a_100000711301_100011215998 [0,1,0,0,0,0|3,0,0]=4 254 B13R0.139 CCCCCC(C)C(=O)NCC(=O)N 240690a_100000711301_100011215998 [0,1,0,0,0,0|3,0,0]=4 255 B13R0.139 CCCCCC(C)C(=O)NCC(=O)N 527a_100000711301_100011215998 [0,1,0,0,0,0|3,0,0]=4 256 B13R0.139 CCCCN[C@@H](C)C(=O)NCC(=O)O 269956a_200011416764_100000210211 [0,1,0,0,0,0|2,0,0]=3 257 B13R0.139 CCCCSC(C)C(=O)NCC(=O)N 11a_100000711301_100000191163 [0,1,0,0,0,0|3,0,0]=4 258 B13R0.139 CCCCSC(C)C(=O)NCC(=O)N 240690a_100000711301_100000191163 [0,1,0,0,0,0|3,0,0]=4 259 B13R0.139 CCCCSC(C)C(=O)NCC(=O)N 527a_100000711301_100000191163 [0,1,0,0,0,0|3,0,0]=4 260 B13R0.139 CCOCN[C@@H](C)C(=O)NCC(=O)O 269956a_200011416764_100000739092 [0,1,0,0,0,0|2,1,0]=4 261 B13R0.139 COCCN[C@@H](C)C(=O)NCC(=O)O 269956a_200011416764_100000233755 [0,1,0,0,0,0|1,1,0]=3 262 B13R0.139 CSCCN[C@@H](C)C(=O)NCC(=O)O 269956a_200011416764_100000212216 [0,1,0,0,0,0|1,0,0]=2 263 B13R0.139 C[C@H](NCCC#N)C(=O)NCC(=O)O 269956a_200011416764_100011215226 [0,1,0,0,0,0|3,0,0]=4 264 B13R0.139 C[C@H](NCCCF)C(=O)NCC(=O)O 269956a_200011416764_100011934791 [0,1,0,0,0,0|3,0,0]=4 265 B13R0.139 C[C@H](NCCCO)C(=O)NCC(=O)O 269956a_200011416764_100011215043 [0,1,0,0,0,0|3,0,0]=4 266 B13R0.139 C[C@H](NCSC#N)C(=O)NCC(=O)O 269956a_200011416764_100000211825 [0,1,0,0,0,0|2,0,1]=4 267 B13R0.349 C=C(C)CN[C@@H](C)C(=O)NCC(=O)O 269956a_200011416764_100000748629 [0,1,0,0,0,0|3,0,0]=4 268 B13R0.349 CC(C)CN[C@@H](C)C(=O)NCC(=O)O 269956a_200011416764_100000210760 [0,1,0,0,0,0|3,0,0]=4 269 B13R0.349 CC(O)CN[C@@H](C)C(=O)NCC(=O)O 269956a_200011416764_100011218427 [0,1,0,0,0,0|3,0,0]=4 270 B13R0.349 C[C@H](NC[C@@H](C)O)C(=O)NCC(=O)O 269956a_200011416764_100009817552 [0,1,0,0,0,0|3,0,0]=4 271 B13R0.378 CCCCC(CC)C(=O)NCC(=O)N 11a_100000711301_100000211130 [0,1,0,0,0,0|3,0,0]=4 272 B13R0.378 CCCCC(CC)C(=O)NCC(=O)N 240690a_100000711301_100000211130 [0,1,0,0,0,0|3,0,0]=4 273 B13R0.378 CCCCC(CC)C(=O)NCC(=O)N 527a_100000711301_100000211130 [0,1,0,0,0,0|3,0,0]=4 274 B13R0.378 CN[C@@H](CCSC)C(=O)NCC(=O)O 269956a_100011424035_200000210301 [0,1,0,0,0,0|0,0,0]=1 275 B13R0.378 CSCC[C@H](N[13CH3])C(=O)NCC(=O)O 269956a_100011424035_200025704644 [0,1,0,0,0,0|0,0,0]=1 276 B13R0.465 CCCCC(C)C(=O)N(C)CC(=O)N 11a_100000739694_100000725509 [0,1,0,0,0,0|3,0,0]=4 277 B13R0.465 CCCCC(C)C(=O)N(C)CC(=O)N 527a_100000739694_100000725509 [0,1,0,0,0,0|3,0,0]=4 278 B13R0.465 CCCCC(O)C(=O)N(C)CC(=O)N 527a_100000739694_100000720857 [0,1,0,0,0,0|3,0,0]=4 279 B13R0.465 CSCCC(O)C(=O)N(C)CC(C)O 240690a_100000227577_100000685904 [0,1,0,0,0,0|2,0,1]=4 280 B13R0.698 CCCCC(C)(C)C(=O)NCC(=O)N 11a_100000711301_100011216040 [0,1,0,0,0,0|3,0,0]=4 281 B13R0.698 CCCCC(C)(C)C(=O)NCC(=O)N 240690a_100000711301_100011216040 [0,1,0,0,0,0|3,0,0]=4 282 B13R0.698 CCCCC(C)(C)C(=O)NCC(=O)N 527a_100000711301_100011216040 [0,1,0,0,0,0|3,0,0]=4 283 B13R0.698 CCCCC(C)(O)C(=O)NCC(=O)N 240690a_100000711301_100000137666 [0,1,0,0,0,0|3,0,0]=4 284 B13R0.698 CCCCC(F)(F)C(=O)NCC(=O)N 11a_100000711301_100000100317 [0,1,0,0,0,0|3,0,0]=4 285 B13R0.698 CCCCC(F)(F)C(=O)NCC(=O)N 240690a_100000711301_100000100317 [0,1,0,0,0,0|3,0,0]=4 286 B13R0.698 CCCCC(F)(F)C(=O)NCC(=O)N 527a_100000711301_100000100317 [0,1,0,0,0,0|3,0,0]=4 287 B13R1.45 C=C(C)CNC(=O)C1CCSCC1 11a_100000765925_100000755232 [0,0,0,1,0,0|3,0,0]=4 288 B13R1.45 C=C(C)CNC(=O)C1CCSCC1 1626a_100000765925_100000755232 [0,0,0,1,0,0|3,0,0]=4 289 B13R1.45 C=C(C)CNC(=O)C1CCSCC1 240690a_100000765925_100000755232 [0,0,0,1,0,0|3,0,0]=4 290 B13R1.45 C=C(C)CNC(=O)C1CCSCC1 527a_100000765925_100000755232 [0,0,0,1,0,0|3,0,0]=4 291 B13R1.45 CC(=O)CNC(=O)C1CCCCC1 1458a_100000183267_200000210301 [0,0,0,1,0,0|3,0,0]=4 292 B13R1.45 CC(=O)CNC(=O)C1CCOCC1 1458a_200000754379_200000210301 [0,0,0,1,0,0|2,1,0]=4 293 B13R1.45 CC(=O)NNC(=O)C1CCSCC1 22a_100000189765_100000755232 [0,0,0,1,0,0|3,0,0]=4 294 B13R1.45 CC(O)CNC(=O)C1CCSCC1 11a_100000210904_100000755232 [0,0,0,1,0,0|2,0,1]=4 295 B13R1.45 CC(O)CNC(=O)C1CCSCC1 240690a_100000210904_100000755232 [0,0,0,1,0,0|2,0,1]=4 296 B13R1.45 CC(O)CNC(=O)C1CCSCC1 527a_100000210904_100000755232 [0,0,0,1,0,0|2,0,1]=4 297 B13R1.45 NC(=O)CNC(=O)C1CCCCC1 11a_100000711301_100000210647 [0,0,0,1,0,0|3,0,0]=4 298 B13R1.45 NC(=O)CNC(=O)C1CCCCC1 240690a_100000711301_100000210647 [0,0,0,1,0,0|3,0,0]=4 299 B13R1.45 NC(=O)CNC(=O)C1CCCCC1 527a_100000711301_100000210647 [0,0,0,1,0,0|3,0,0]=4 300 B13R1.45 NC(=O)CNC(=O)C1CCCCO1 11a_100000711301_100000748299 [0,0,0,1,0,0|3,0,0]=4 301 B13R1.45 NC(=O)CNC(=O)C1CCCCO1 240690a_100000711301_100000748299 [0,0,0,1,0,0|3,0,0]=4 302 B13R1.45 NC(=O)CNC(=O)C1CCCCO1 527a_100000711301_100000748299 [0,0,0,1,0,0|3,0,0]=4 303 B13R1.45 NC(=O)CNC(=O)C1CCOCC1 11a_100000711301_100000195482 [0,0,0,1,0,0|2,1,0]=4 304 B13R1.45 NC(=O)CNC(=O)C1CCOCC1 240690a_100000711301_100000195482 [0,0,0,1,0,0|2,1,0]=4 305 B13R1.45 NC(=O)CNC(=O)C1CCOCC1 527a_100000711301_100000195482 [0,0,0,1,0,0|2,1,0]=4 306 B13R1.45 NC(=O)CNC(=O)C1CCSCC1 11a_100000711301_100000755232 [0,0,0,1,0,0|2,0,0]=3 307 B13R1.45 NC(=O)CNC(=O)C1CCSCC1 240690a_100000711301_100000755232 [0,0,0,1,0,0|2,0,0]=3 308 B13R1.45 NC(=O)CNC(=O)C1CCSCC1 527a_100000711301_100000755232 [0,0,0,1,0,0|2,0,0]=3 309 B13R1.45 NC(=O)CNC(=O)N1CCSCC1 273464a_100000711301_100000737611 [0,0,0,1,0,0|3,0,0]=4 310 B13R1.45 [13CH3]C(=O)CNC(=O)C1CCCCC1 1458a_100000183267_200025704644 [0,0,0,1,0,0|3,0,0]=4 311 B13R1.45 [13CH3]C(=O)CNC(=O)C1CCOCC1 1458a_200000754379_200025704644 [0,0,0,1,0,0|2,1,0]=4 312 B13R1.129 CN1CCC(C1)C(=O)NCC(=O)N 240690a_100000711301_100000739633 [0,0,0,1,0,0|3,0,0]=4 313 B13R1.129 CN1CCC(C1)C(=O)NCC(=O)N 527a_100000711301_100000739633 [0,0,0,1,0,0|3,0,0]=4 314 B13R1.129 NC(=O)CNC(=O)C1CCC(=O)N1 240690a_100000711301_100000210400 [0,0,0,1,0,0|3,0,0]=4 315 B13R1.638 COC1CC(C1)C(=O)NCC(=O)N 11a_100000711301_100011999411 [0,0,0,1,0,0|2,1,0]=4 316 B13R1.638 COC1CC(C1)C(=O)NCC(=O)N 240690a_100000711301_100011999411 [0,0,0,1,0,0|2,1,0]=4 317 B13R1.638 COC1CC(C1)C(=O)NCC(=O)N 527a_100000711301_100011999411 [0,0,0,1,0,0|2,1,0]=4 318 B13R1.638 CSC1CN(C1)C(=O)NCC(=O)N 273464a_100000711301_100016990038 [0,0,0,1,0,0|3,0,0]=4 319 B13R1.1996 C[C@H](NC1CC1)C(=O)NCC(=O)O 269956a_200011416764_100000211595 [0,0,0,1,0,0|3,0,0]=4 320 B13R1.3557 CSCCC(O)C(=O)N1CC(C1)O 240690a_100000749847_100000685904 [0,0,0,1,0,0|2,0,1]=4 321 B13R1.6294 CC1(CCCC1)C(=O)NCC(=O)N 11a_100000711301_100000239728 [0,0,0,1,0,0|3,0,0]=4 322 B13R1.6294 CC1(CCCC1)C(=O)NCC(=O)N 240690a_100000711301_100000239728 [0,0,0,1,0,0|3,0,0]=4 323 B13R1.6294 CC1(CCCC1)C(=O)NCC(=O)N 527a_100000711301_100000239728 [0,0,0,1,0,0|3,0,0]=4 324 B13R1.6294 NC(=O)CNC(=O)C1(CCCC1)O 240690a_100000711301_100000242637 [0,0,0,1,0,0|3,0,0]=4 325 B13R1.6294 NC(=O)CNC(=O)C1(CCCC1)O 527a_100000711301_100000242637 [0,0,0,1,0,0|3,0,0]=4 326 B11R0.68 C=C(C)CC(=O)C(O)CCSC 1458a_100000685904_100000748629 [0,0,0,0,1,0|3,0,0]=4 327 B11R0.68 C=C(F)CC(=O)C(O)CCSC 1458a_100000685904_100009893438 [0,0,0,0,1,0|3,0,0]=4 328 B11R0.68 CCCCC(C)C(=O)CC(=O)N 1458a_100000725509_100000187820 [0,0,0,0,1,0|3,0,0]=4 329 B11R0.68 CCCCC(C)C(=O)CC(=O)N 1458a_100134613110_200011215066 [0,0,0,0,1,0|3,0,0]=4 330 B11R0.68 CCCCC(C)C(=O)CC(=O)[O-] 1458a_100000725509_100020667443 [0,0,0,0,1,0|2,0,1]=4 331 B11R0.68 CCCCC(O)C(=O)CC(=O)N 1458a_100000720857_100000187820 [0,0,0,0,1,0|3,0,0]=4 332 B11R0.68 CCCCC(O)C(=O)CC(=O)[O-] 1458a_100000720857_100020667443 [0,0,0,0,1,0|2,0,1]=4 333 B11R0.68 CSCCC(O)C(=O)CC(=O)N 1458a_100000685904_100000187820 [0,0,0,0,1,0|2,0,0]=3 334 B11R0.68 CSCCC(O)C(=O)CC(=O)[O-] 1458a_100000685904_100020667443 [0,0,0,0,1,0|1,0,1]=3 335 B11R0.68 CSCCC(O)C(=O)CC(C)O 1458a_100000685904_100011218427 [0,0,0,0,1,0|2,0,1]=4 336 B11R0.68 CSCCC(O)C(=O)C[N+](=O)[O-] 1458a_100000685904_100000761209 [0,0,0,0,1,0|2,0,1]=4 337 B11R0.68 CSCCN(C)C(=O)CC(=O)N 240690a_100000686725_100134613110 [0,0,0,0,1,0|3,0,0]=4 338 B11R0.68 CSCCN(C)C(=O)CC(=O)N 527a_100000686725_100134613110 [0,0,0,0,1,0|3,0,0]=4 339 B11R0.68 CSCSC(C)C(=O)NC(=O)N 62a_100000183865_100011218213 [0,0,0,0,1,0|3,0,0]=4 340 B11R0.68 CSCSC(C)C(=O)NC(=O)N 62a_100011218213_100000183865 [0,0,0,0,1,0|3,0,0]=4 341 B13R0.172 CCCCC(C)NC(=O)NCC(=O)N 2708a_100000126638_100000711301 [0,0,0,0,0,1|3,0,0]=4 342 B13R0.172 CCCCC(C)NC(=O)NCC(=O)N 273464a_100000126638_100000711301 [0,0,0,0,0,1|3,0,0]=4 343 B13R0.172 CCCCC(C)NC(=O)NCC(=O)N 273464a_100000711301_100000126638 [0,0,0,0,0,1|3,0,0]=4 344 B13R0.172 CCCCC(C)NC(=O)NCC(=O)N 512a_100000126638_100000711301 [0,0,0,0,0,1|3,0,0]=4 345 B13R0.345 C=C(C)CNNC(=O)C(O)CCSC 22a_100000729518_100000685904 [0,0,0,0,0,1|3,0,0]=4 346 B13R0.345 CCCCC(C)C(=O)NCCC(=O)N 11a_100000740010_100000725509 [0,0,0,0,0,1|3,0,0]=4 347 B13R0.345 CCCCC(C)C(=O)NCCC(=O)N 240690a_100000740010_100000725509 [0,0,0,0,0,1|3,0,0]=4 348 B13R0.345 CCCCC(C)C(=O)NCCC(=O)N 527a_100000740010_100000725509 [0,0,0,0,0,1|3,0,0]=4 349 B13R0.345 CCCCC(O)C(=O)NCCC(=O)N 240690a_100000740010_100000720857 [0,0,0,0,0,1|3,0,0]=4 350 B13R0.345 CCCCC(O)C(=O)NCCC(=O)N 527a_100000740010_100000720857 [0,0,0,0,0,1|3,0,0]=4 351 B13R0.345 CCCCN(C)C(=O)CNCC(=O)O 269956a_100016091260_100000230175 [0,0,0,0,0,1|3,0,0]=4 352 B13R0.345 CSCCC(O)C(=O)CCCC(=O)C 1458a_100000685904_100011215641 [0,0,0,0,0,1|3,0,0]=4 353 B13R0.345 CSCCC(O)C(=O)CCCC(=O)N 1458a_100000685904_100102525003 [0,0,0,0,0,1|3,0,0]=4 354 B13R0.345 CSCCC(O)C(=O)CCNC(=O)C 1458a_100000685904_100000189650 [0,0,0,0,0,1|3,0,0]=4 355 B13R0.345 CSCCC(O)C(=O)CCNC(=O)N 1458a_100000685904_200000034859 [0,0,0,0,0,1|3,0,0]=4 356 B13R0.345 CSCCC(O)C(=O)CCOC(=O)C 1458a_100000685904_100009814007 [0,0,0,0,0,1|3,0,0]=4 357 B13R0.345 CSCCC(O)C(=O)CCOC(=O)N 1458a_100000685904_200011214921 [0,0,0,0,0,1|3,0,0]=4 358 B13R0.345 CSCCC(O)C(=O)NCCC(=O)N 240690a_100000740010_100000685904 [0,0,0,0,0,1|2,0,0]=3 359 B13R0.345 CSCCC(O)C(=O)NCCC(C)O 240690a_200000755665_100000685904 [0,0,0,0,0,1|2,0,1]=4 360 B13R0.345 CSCCC(O)C(=O)NNCC(C)O 22a_200000730056_100000685904 [0,0,0,0,0,1|2,0,1]=4 361 B13R0.345 CSCCN(C)C(=O)NCCC(=O)N 273464a_100000740010_100000686725 [0,0,0,0,0,1|3,0,0]=4 362 B10R0.19 C=CCC(=O)C(O)CCSC 1458a_100000685904_100000210623 [2,0,0,0,0,0|2,0,0]=4 363 B10R0.19 C=CCNC(=O)C(C)CCC 1626a_100020586998_100000210906 [2,0,0,0,0,0|2,0,0]=4 364 B10R0.19 C=CCNC(=O)C(C)CCC 240690a_100020586998_100000210906 [2,0,0,0,0,0|2,0,0]=4 365 B10R0.19 C=CCNC(=O)C(C)CCC 527a_100020586998_100000210906 [2,0,0,0,0,0|2,0,0]=4 366 B10R0.19 C=CCNC(=O)C(C)CSC 1626a_100020586998_100000753918 [2,0,0,0,0,0|2,0,0]=4 367 B10R0.19 C=CCNC(=O)C(C)CSC 240690a_100020586998_100000753918 [2,0,0,0,0,0|2,0,0]=4 368 B10R0.19 C=CCNC(=O)C(C)CSC 527a_100020586998_100000753918 [2,0,0,0,0,0|2,0,0]=4 369 B10R0.19 C=CCNC(=O)[C@@H](O)CCC 240690a_100020586998_100009822183 [2,0,0,0,0,0|2,0,0]=4 370 B10R0.19 CCCC(C)C(=O)NCCO 240690a_100000210304_100000210906 [2,0,0,0,0,0|1,0,1]=4 371 B10R0.19 CCCC(C)C(=O)NCCO 527a_100000210304_100000210906 [2,0,0,0,0,0|1,0,1]=4 372 B10R0.19 CCC[C@H](O)C(=O)NCCO 240690a_100000210304_100009822183 [2,0,0,0,0,0|1,0,1]=4 373 B10R0.19 CCNC(=O)C(O)CCSC 240690a_100015525214_100000685904 [2,0,0,0,0,0|1,0,1]=4 374 B10R0.19 CSCC(C)C(=O)NCCO 240690a_100000210304_100000753918 [2,0,0,0,0,0|1,0,1]=4 375 B10R0.19 CSCC(C)C(=O)NCCO 527a_100000210304_100000753918 [2,0,0,0,0,0|1,0,1]=4 376 B10R0.19 CSCCC(O)C(=O)CCO 1458a_100000685904_100000211926 [2,0,0,0,0,0|1,0,1]=4 377 B10R0.91 C#CCNC(=O)CCCSC 11a_100000212058_100000173376 [2,0,0,0,0,0|1,0,1]=4 378 B10R0.91 C#CCNC(=O)CCCSC 1626a_100000212058_100000173376 [2,0,0,0,0,0|1,0,1]=4 379 B10R0.91 C#CCNC(=O)CCCSC 240690a_100000212058_100000173376 [2,0,0,0,0,0|1,0,1]=4 380 B10R0.91 C#CCNC(=O)CCCSC 527a_100000212058_100000173376 [2,0,0,0,0,0|1,0,1]=4 381 B10R0.91 C=CCCC(=O)CCCSC 1458a_100000173376_100000754431 [2,0,0,0,0,0|2,0,0]=4 382 B10R0.91 C=CCNC(=O)CCCCC 1626a_100020586998_100000212188 [2,0,0,0,0,0|2,0,0]=4 383 B10R0.91 C=CCNC(=O)CCCCC 240690a_100020586998_100000212188 [2,0,0,0,0,0|2,0,0]=4 384 B10R0.91 C=CCNC(=O)CCCCC 527a_100020586998_100000212188 [2,0,0,0,0,0|2,0,0]=4 385 B10R0.91 C=CCNC(=O)CCCOC 1626a_100020586998_100000741012 [2,0,0,0,0,0|1,1,0]=4 386 B10R0.91 C=CCNC(=O)CCCOC 240690a_100020586998_100000741012 [2,0,0,0,0,0|1,1,0]=4 387 B10R0.91 C=CCNC(=O)CCCOC 527a_100020586998_100000741012 [2,0,0,0,0,0|1,1,0]=4 388 B10R0.91 C=CCNC(=O)CCCSC 1626a_100020586998_100000173376 [2,0,0,0,0,0|1,0,0]=3 389 B10R0.91 C=CCNC(=O)CCCSC 240690a_100020586998_100000173376 [2,0,0,0,0,0|1,0,0]=3 390 B10R0.91 C=CCNC(=O)CCCSC 527a_100020586998_100000173376 [2,0,0,0,0,0|1,0,0]=3 391 B10R0.91 C=CCNC(=O)CSCSC 62a_100000183597_100011218213 [2,0,0,0,0,0|2,0,0]=4 392 B10R0.91 C=CCNC(=O)CSCSC 62a_100011218213_100000183597 [2,0,0,0,0,0|2,0,0]=4 393 B10R0.91 C=CCNC(=O)NCCSC 2708a_100020590264_100020586998 [2,0,0,0,0,0|2,0,0]=4 394 B10R0.91 C=CCNC(=O)NCCSC 273464a_100020586998_100020590264 [2,0,0,0,0,0|2,0,0]=4 395 B10R0.91 C=CCNC(=O)NCCSC 273464a_100020590264_100020586998 [2,0,0,0,0,0|2,0,0]=4 396 B10R0.91 C=CCNC(=O)NCCSC 512a_100020586998_100020590264 [2,0,0,0,0,0|2,0,0]=4 397 B10R0.91 C=CCNC(=O)NCCSC 512a_100020590264_100020586998 [2,0,0,0,0,0|2,0,0]=4 398 B10R0.91 CCCCCC(=O)NCCO 240690a_100000210304_100000212188 [2,0,0,0,0,0|1,0,1]=4 399 B10R0.91 CCCCCC(=O)NCCO 527a_100000210304_100000212188 [2,0,0,0,0,0|1,0,1]=4 400 B10R0.91 CCCNC(=O)CCCSC 11a_100020643023_100000173376 [2,0,0,0,0,0|1,0,1]=4 401 B10R0.91 CCCNC(=O)CCCSC 1626a_100020643023_100000173376 [2,0,0,0,0,0|1,0,1]=4 402 B10R0.91 CCCNC(=O)CCCSC 240690a_100020643023_100000173376 [2,0,0,0,0,0|1,0,1]=4 403 B10R0.91 CCCNC(=O)CCCSC 527a_100020643023_100000173376 [2,0,0,0,0,0|1,0,1]=4 404 B10R0.91 CCCNC(=O)CCCSC 62a_100011194427_200000210301 [2,0,0,0,0,0|1,0,1]=4 405 B10R0.91 CCCNC(=O)CCCSC 62a_200000210301_100011194427 [2,0,0,0,0,0|1,0,1]=4 406 B10R0.91 CCCNC(=O)CCCS[13CH3] 62a_100011194427_200025704644 [2,0,0,0,0,0|1,0,1]=4 407 B10R0.91 CCCNC(=O)CCCS[13CH3] 62a_200025704644_100011194427 [2,0,0,0,0,0|1,0,1]=4 408 B10R0.91 COCCCC(=O)NCCO 240690a_100000210304_100000741012 [2,0,0,0,0,0|0,1,1]=4 409 B10R0.91 COCCCC(=O)NCCO 527a_100000210304_100000741012 [2,0,0,0,0,0|0,1,1]=4 410 B10R0.91 CSCCCC(=O)CCCO 1458a_100000173376_100011215043 [2,0,0,0,0,0|1,0,1]=4 411 B10R0.91 CSCCCC(=O)NCC#N 1626a_100000734998_100000173376 [2,0,0,0,0,0|1,0,1]=4 412 B10R0.91 CSCCCC(=O)NCC#N 527a_100000734998_100000173376 [2,0,0,0,0,0|1,0,1]=4 413 B10R0.91 CSCCCC(=O)NCCF 11a_100000724931_100000173376 [2,0,0,0,0,0|1,0,1]=4 414 B10R0.91 CSCCCC(=O)NCCF 1626a_100000724931_100000173376 [2,0,0,0,0,0|1,0,1]=4 415 B10R0.91 CSCCCC(=O)NCCF 240690a_100000724931_100000173376 [2,0,0,0,0,0|1,0,1]=4 416 B10R0.91 CSCCCC(=O)NCCF 527a_100000724931_100000173376 [2,0,0,0,0,0|1,0,1]=4 417 B10R0.91 CSCCCC(=O)NCCO 240690a_100000210304_100000173376 [2,0,0,0,0,0|0,0,1]=3 418 B10R0.91 CSCCCC(=O)NCCO 527a_100000210304_100000173376 [2,0,0,0,0,0|0,0,1]=3 419 B10R0.91 CSCCNC(=O)NCCO 2708a_100020590264_100000210304 [2,0,0,0,0,0|1,0,1]=4 420 B10R0.91 CSCCNC(=O)NCCO 273464a_100000210304_100020590264 [2,0,0,0,0,0|1,0,1]=4 421 B10R0.91 CSCCNC(=O)NCCO 273464a_100020590264_100000210304 [2,0,0,0,0,0|1,0,1]=4 422 B10R0.91 CSCCNC(=O)NCCO 512a_100020590264_100000210304 [2,0,0,0,0,0|1,0,1]=4 423 B10R0.91 CSCC[C@H](N)COCC=O 34a_100011827619_200009817547 [2,0,0,0,0,0|1,0,1]=4 424 B10R0.4 CCCCCCNCC(=O)O 269956a_100016091260_100000210757 [2,0,0,0,0,0|1,0,1]=4 425 B10R0.4 COCCCCNCC(=O)O 269956a_100016091260_100000730899 [2,0,0,0,0,0|0,1,1]=4 426 B10R0.78 C=C(C)CNC(=O)CCCC 11a_100000765925_100000210183 [2,0,0,0,0,0|2,0,0]=4 427 B10R0.78 C=C(C)CNC(=O)CCCC 1626a_100000765925_100000210183 [2,0,0,0,0,0|2,0,0]=4 428 B10R0.78 C=C(C)CNC(=O)CCCC 240690a_100000765925_100000210183 [2,0,0,0,0,0|2,0,0]=4 429 B10R0.78 C=C(C)CNC(=O)CCCC 527a_100000765925_100000210183 [2,0,0,0,0,0|2,0,0]=4 430 B10R0.78 C=C(C)CNC(=O)CCSC 11a_100000765925_100000174002 [2,0,0,0,0,0|2,0,0]=4 431 B10R0.78 C=C(C)CNC(=O)CCSC 1626a_100000765925_100000174002 [2,0,0,0,0,0|2,0,0]=4 432 B10R0.78 C=C(C)CNC(=O)CCSC 240690a_100000765925_100000174002 [2,0,0,0,0,0|2,0,0]=4 433 B10R0.78 C=C(C)CNC(=O)CCSC 527a_100000765925_100000174002 [2,0,0,0,0,0|2,0,0]=4 434 B10R0.78 CCCCC(=O)CCC(=O)N 1458a_100011215257_100000210211 [2,0,0,0,0,0|2,0,0]=4 435 B10R0.78 CCCCC(=O)NCC(=O)N 11a_100000711301_100000210183 [2,0,0,0,0,0|1,0,0]=3 436 B10R0.78 CCCCC(=O)NCC(=O)N 240690a_100000711301_100000210183 [2,0,0,0,0,0|1,0,0]=3 437 B10R0.78 CCCCC(=O)NCC(=O)N 527a_100000711301_100000210183 [2,0,0,0,0,0|1,0,0]=3 438 B10R0.78 CCCCC(=O)NCC(C)O 11a_100000210904_100000210183 [2,0,0,0,0,0|1,0,1]=4 439 B10R0.78 CCCCC(=O)NCC(C)O 240690a_100000210904_100000210183 [2,0,0,0,0,0|1,0,1]=4 440 B10R0.78 CCCCC(=O)NCC(C)O 527a_100000210904_100000210183 [2,0,0,0,0,0|1,0,1]=4 441 B10R0.78 CCCCC(=O)NNC(=O)C 22a_100000189765_100000210183 [2,0,0,0,0,0|2,0,0]=4 442 B10R0.78 CCCCC(=O)NNC(=O)C 22a_100000189769_100000070787 [2,0,0,0,0,0|2,0,0]=4 443 B10R0.78 CCCCC(C)NCC(=O)O 269956a_100016091260_200011215066 [2,0,0,0,0,0|1,0,1]=4 444 B10R0.78 CCCNC(=O)NCC(=O)N 2708a_100020643023_100000711301 [2,0,0,0,0,0|2,0,0]=4 445 B10R0.78 CCCNC(=O)NCC(=O)N 273464a_100000711301_100020643023 [2,0,0,0,0,0|2,0,0]=4 446 B10R0.78 CCCNC(=O)NCC(=O)N 273464a_100020643023_100000711301 [2,0,0,0,0,0|2,0,0]=4 447 B10R0.78 CCCNC(=O)NCC(=O)N 512a_100020643023_100000711301 [2,0,0,0,0,0|2,0,0]=4 448 B10R0.78 CCNCC(=O)NCC(=O)O 269956a_100000183575_100000210202 [2,0,0,0,0,0|1,0,0]=3 449 B10R0.78 CCOCC(=O)NCC(=O)N 11a_100000711301_100000211967 [2,0,0,0,0,0|2,0,0]=4 450 B10R0.78 CCOCC(=O)NCC(=O)N 240690a_100000711301_100000211967 [2,0,0,0,0,0|2,0,0]=4 451 B10R0.78 CCOCC(=O)NCC(=O)N 527a_100000711301_100000211967 [2,0,0,0,0,0|2,0,0]=4 452 B10R0.78 CCSCC(=O)NCC(=O)N 11a_100000711301_100000230394 [2,0,0,0,0,0|2,0,0]=4 453 B10R0.78 CCSCC(=O)NCC(=O)N 240690a_100000711301_100000230394 [2,0,0,0,0,0|2,0,0]=4 454 B10R0.78 CCSCC(=O)NCC(=O)N 527a_100000711301_100000230394 [2,0,0,0,0,0|2,0,0]=4 455 B10R0.78 CNCCC(=O)NCC(=O)O 269956a_100000722369_200000210301 [2,0,0,0,0,0|1,0,0]=3 456 B10R0.78 COCCC(=O)NCC(=O)N 11a_100000711301_100000749529 [2,0,0,0,0,0|1,1,0]=4 457 B10R0.78 COCCC(=O)NCC(=O)N 240690a_100000711301_100000749529 [2,0,0,0,0,0|1,1,0]=4 458 B10R0.78 COCCC(=O)NCC(=O)N 527a_100000711301_100000749529 [2,0,0,0,0,0|1,1,0]=4 459 B10R0.78 CSCCC(=O)CCC(=O)N 1458a_100011215257_100000751147 [2,0,0,0,0,0|2,0,0]=4 460 B10R0.78 CSCCC(=O)NCC(=O)N 11a_100000711301_100000174002 [2,0,0,0,0,0|1,0,0]=3 461 B10R0.78 CSCCC(=O)NCC(=O)N 240690a_100000711301_100000174002 [2,0,0,0,0,0|1,0,0]=3 462 B10R0.78 CSCCC(=O)NCC(=O)N 527a_100000711301_100000174002 [2,0,0,0,0,0|1,0,0]=3 463 B10R0.78 CSCCC(=O)NCC(C)O 11a_100000210904_100000174002 [2,0,0,0,0,0|1,0,1]=4 464 B10R0.78 CSCCC(=O)NCC(C)O 240690a_100000210904_100000174002 [2,0,0,0,0,0|1,0,1]=4 465 B10R0.78 CSCCC(=O)NCC(C)O 527a_100000210904_100000174002 [2,0,0,0,0,0|1,0,1]=4 466 B10R0.78 CSCCC(=O)NNC(=O)C 22a_100000189765_100000174002 [2,0,0,0,0,0|2,0,0]=4 467 B10R0.78 O=C(O)CNC(=O)CNCF 269956a_100000183575_100015361967 [2,0,0,0,0,0|2,0,0]=4 468 B10R0.78 [13CH3]NCCC(=O)NCC(=O)O 269956a_100000722369_200025704644 [2,0,0,0,0,0|1,0,0]=3 469 B10R0.3 CCCC(C)CNCC(=O)O 269956a_100016091260_100011216630 [2,0,0,0,0,0|1,0,1]=4 470 B10R0.57 CCC(C)C(=O)NCC(=O)C 1458a_100000743532_200000210301 [2,0,0,0,0,0|2,0,0]=4 471 B10R0.57 CCC(C)C(=O)NCC(=O)N 11a_100000711301_100011192722 [2,0,0,0,0,0|2,0,0]=4 472 B10R0.57 CCC(C)C(=O)NCC(=O)N 240690a_100000711301_100011192722 [2,0,0,0,0,0|2,0,0]=4 473 B10R0.57 CCC(C)C(=O)NCC(=O)N 527a_100000711301_100011192722 [2,0,0,0,0,0|2,0,0]=4 474 B10R0.57 CCC(C)C(=O)NCC(=O)[13CH3] 1458a_100000743532_200025704644 [2,0,0,0,0,0|2,0,0]=4 475 B10R0.57 CCC(O)C(=O)NCC(=O)N 240690a_100000711301_100011196387 [2,0,0,0,0,0|2,0,0]=4 476 B10R0.57 CN[C@@H](C)C(=O)NCC(=O)O 269956a_200011416764_200000210301 [2,0,0,0,0,0|2,0,0]=4 477 B10R0.57 CSC(C)C(=O)NCC(=O)N 11a_100000711301_100000149566 [2,0,0,0,0,0|2,0,0]=4 478 B10R0.57 CSC(C)C(=O)NCC(=O)N 240690a_100000711301_100000149566 [2,0,0,0,0,0|2,0,0]=4 479 B10R0.57 CSC(C)C(=O)NCC(=O)N 527a_100000711301_100000149566 [2,0,0,0,0,0|2,0,0]=4 480 B10R0.57 C[C@H](N[13CH3])C(=O)NCC(=O)O 269956a_200011416764_200025704644 [2,0,0,0,0,0|2,0,0]=4 481 B12R0.252 CSCCC(O)C(=O)N[C@H](C)CO 240690a_100000737577_100000685904 [1,1,0,0,0,0|1,0,1]=4 482 B12R0.353 C=CCN(C)C(=O)C(O)CCSC 240690a_100000225617_100000685904 [1,1,0,0,0,0|2,0,0]=4 483 B12R0.353 CSCCC(O)C(=O)N(C)CCO 240690a_100000210263_100000685904 [1,1,0,0,0,0|1,0,1]=4 484 B12R0.648 C=CCCNC(=O)C(O)CCSC 240690a_100015191253_100000685904 [1,1,0,0,0,0|2,0,0]=4 485 B12R0.648 C=CCNC(=O)C(C)NCCSC 2230a_100020590264_100000230288 [1,1,0,0,0,0|2,0,0]=4 486 B12R0.648 C=CCNC(=O)C(C)OCCSC 7a_100000230434_100000230288 [1,1,0,0,0,0|2,0,0]=4 487 B12R0.648 C=CCNC(=O)C(C)SCCSC 62a_100000212216_100000230288 [1,1,0,0,0,0|2,0,0]=4 488 B12R0.648 C=CCNC(=O)C(C)SCCSC 62a_100000230288_100000751147 [1,1,0,0,0,0|2,0,0]=4 489 B12R0.648 C=CCNNC(=O)C(O)CCSC 22a_100020588587_100000685904 [1,1,0,0,0,0|2,0,0]=4 490 B12R0.648 COCCNC(=O)C(O)CCSC 240690a_100000209980_100000685904 [1,1,0,0,0,0|1,0,1]=4 491 B12R0.648 CSCCC(O)C(=O)NCCCO 240690a_100000182051_100000685904 [1,1,0,0,0,0|1,0,1]=4 492 B12R0.648 CSCCC(O)C(=O)NNCCO 22a_100000210001_100000685904 [1,1,0,0,0,0|1,0,1]=4 493 B12R0.44 C=C(C)CNCC(=O)NCC(=O)O 269956a_100000183575_100000748629 [1,1,0,0,0,0|2,0,0]=4 494 B12R0.44 CC(C)CCCC(=O)NCC(=O)N 11a_100000711301_100011216857 [1,1,0,0,0,0|2,0,0]=4 495 B12R0.44 CC(C)CCCC(=O)NCC(=O)N 240690a_100000711301_100011216857 [1,1,0,0,0,0|2,0,0]=4 496 B12R0.44 CC(C)CCCC(=O)NCC(=O)N 527a_100000711301_100011216857 [1,1,0,0,0,0|2,0,0]=4 497 B12R0.44 CC(C)CNCC(=O)NCC(=O)O 269956a_100000183575_100000210760 [1,1,0,0,0,0|2,0,0]=4 498 B12R0.44 CC(C)NCCC(=O)NCC(=O)O 269956a_100000722369_100000210206 [1,1,0,0,0,0|2,0,0]=4 499 B12R0.44 CC(O)CCCC(=O)NCC(=O)N 527a_100000711301_100000761597 [1,1,0,0,0,0|2,0,0]=4 500 B12R0.44 CC(O)CNCC(=O)NCC(=O)O 269956a_100000183575_100011218427 [1,1,0,0,0,0|2,0,0]=4 501 B12R0.44 CN(C)CCCC(=O)NCC(=O)N 11a_100000711301_100000740757 [1,1,0,0,0,0|2,0,0]=4 502 B12R0.44 CN(C)CCCC(=O)NCC(=O)N 240690a_100000711301_100000740757 [1,1,0,0,0,0|2,0,0]=4 503 B12R0.44 C[C@@H](O)CNCC(=O)NCC(=O)O 269956a_100000183575_100009817552 [1,1,0,0,0,0|2,0,0]=4 504 B12R0.123 CCCCCC(=O)N[C@H](C)C(=O)N 11a_100000119354_100000212188 [1,1,0,0,0,0|2,0,0]=4 505 B12R0.123 CCCCCC(=O)N[C@H](C)C(=O)N 240690a_100000119354_100000212188 [1,1,0,0,0,0|2,0,0]=4 506 B12R0.123 CCCCCC(=O)N[C@H](C)C(=O)N 527a_100000119354_100000212188 [1,1,0,0,0,0|2,0,0]=4 507 B12R0.123 CCCNCC(=O)N[C@@H](C)C(=O)O 269956a_100011417567_100000210207 [1,1,0,0,0,0|2,0,0]=4 508 B12R0.123 COCCCC(=O)N[C@H](C)C(=O)N 11a_100000119354_100000741012 [1,1,0,0,0,0|1,1,0]=4 509 B12R0.123 COCCCC(=O)N[C@H](C)C(=O)N 240690a_100000119354_100000741012 [1,1,0,0,0,0|1,1,0]=4 510 B12R0.123 COCCCC(=O)N[C@H](C)C(=O)N 527a_100000119354_100000741012 [1,1,0,0,0,0|1,1,0]=4 511 B12R0.123 COCNCC(=O)N[C@@H](C)C(=O)O 269956a_100011417567_100000766300 [1,1,0,0,0,0|1,1,0]=4 512 B12R0.123 CSCCCC(=O)N[C@H](C)C(=O)N 11a_100000119354_100000173376 [1,1,0,0,0,0|1,0,0]=3 513 B12R0.123 CSCCCC(=O)N[C@H](C)C(=O)N 240690a_100000119354_100000173376 [1,1,0,0,0,0|1,0,0]=3 514 B12R0.123 CSCCCC(=O)N[C@H](C)C(=O)N 527a_100000119354_100000173376 [1,1,0,0,0,0|1,0,0]=3 515 B12R0.123 CSCCNC(=O)N[C@H](C)C(=O)N 273464a_100000119354_100020590264 [1,1,0,0,0,0|2,0,0]=4 516 B12R0.123 CSCCNC(=O)N[C@H](C)C(=O)N 273464a_100020590264_100000119354 [1,1,0,0,0,0|2,0,0]=4 517 B12R0.123 CSCCNC(=O)N[C@H](C)C(=O)N 512a_100000119354_100020590264 [1,1,0,0,0,0|2,0,0]=4 518 B12R0.123 CSCCNC(=O)N[C@H](C)C(=O)N 512a_100020590264_100000119354 [1,1,0,0,0,0|2,0,0]=4 519 B12R0.123 CSCNCC(=O)N[C@@H](C)C(=O)O 269956a_100011417567_100011218213 [1,1,0,0,0,0|1,0,0]=3 520 B12R0.141 C=C(C)CN(C)C(=O)CCCSC 11a_100000225649_100000173376 [1,1,0,0,0,0|2,0,0]=4 521 B12R0.141 C=C(C)CN(C)C(=O)CCCSC 1626a_100000225649_100000173376 [1,1,0,0,0,0|2,0,0]=4 522 B12R0.141 C=C(C)CN(C)C(=O)CCCSC 527a_100000225649_100000173376 [1,1,0,0,0,0|2,0,0]=4 523 B12R0.141 CCCCCC(=O)N(C)CC(=O)N 11a_100000739694_100000212188 [1,1,0,0,0,0|2,0,0]=4 524 B12R0.141 CCCCCC(=O)N(C)CC(=O)N 527a_100000739694_100000212188 [1,1,0,0,0,0|2,0,0]=4 525 B12R0.141 CCCNCC(=O)N(C)CC(=O)O 269956a_100011216108_100000210207 [1,1,0,0,0,0|2,0,0]=4 526 B12R0.141 COCCCC(=O)N(C)CC(=O)N 11a_100000739694_100000741012 [1,1,0,0,0,0|1,1,0]=4 527 B12R0.141 COCCCC(=O)N(C)CC(=O)N 527a_100000739694_100000741012 [1,1,0,0,0,0|1,1,0]=4 528 B12R0.141 COCNCC(=O)N(C)CC(=O)O 269956a_100011216108_100000766300 [1,1,0,0,0,0|1,1,0]=4 529 B12R0.141 CSCCCC(=O)N(C)CC(=O)N 11a_100000739694_100000173376 [1,1,0,0,0,0|1,0,0]=3 530 B12R0.141 CSCCCC(=O)N(C)CC(=O)N 527a_100000739694_100000173376 [1,1,0,0,0,0|1,0,0]=3 531 B12R0.141 CSCCCC(=O)N(C)CC(C)O 240690a_100000227577_100000173376 [1,1,0,0,0,0|1,0,1]=4 532 B12R0.141 CSCCCC(=O)N(C)CC(C)O 527a_100000227577_100000173376 [1,1,0,0,0,0|1,0,1]=4 533 B12R0.141 CSCCNC(=O)N(C)CC(=O)N 2708a_100020590264_100000739694 [1,1,0,0,0,0|2,0,0]=4 534 B12R0.141 CSCCNC(=O)N(C)CC(=O)N 273464a_100020590264_100000739694 [1,1,0,0,0,0|2,0,0]=4 535 B12R0.141 CSCNCC(=O)N(C)CC(=O)O 269956a_100011216108_100011218213 [1,1,0,0,0,0|1,0,0]=3 536 B12R0.142 C#CCCCC(=O)NCC(=O)OC 188690a_100000185156_100000690238 [1,1,0,0,0,0|1,0,1]=4 537 B12R0.142 C=CCCCC(=O)NCC(=O)OC 188690a_100000185156_100000766728 [1,1,0,0,0,0|1,0,1]=4 538 B12R0.142 CCC(=O)NNC(=O)CCCSC 22a_100000183195_100000173376 [1,1,0,0,0,0|2,0,0]=4 539 B12R0.142 CCC(O)CNC(=O)CCCSC 11a_100011218483_100000173376 [1,1,0,0,0,0|1,0,1]=4 540 B12R0.142 CCC(O)CNC(=O)CCCSC 240690a_100011218483_100000173376 [1,1,0,0,0,0|1,0,1]=4 541 B12R0.142 CCC(O)CNC(=O)CCCSC 527a_100011218483_100000173376 [1,1,0,0,0,0|1,0,1]=4 542 B12R0.142 CCCCCC(=O)CCC(=O)OC 1458a_100000187943_100000210326 [1,1,0,0,0,0|2,0,0]=4 543 B12R0.142 CCCCCC(=O)NCC(=O)NC 11a_100000693194_100000212188 [1,1,0,0,0,0|2,0,0]=4 544 B12R0.142 CCCCCC(=O)NCC(=O)NC 240690a_100000693194_100000212188 [1,1,0,0,0,0|2,0,0]=4 545 B12R0.142 CCCCCC(=O)NCC(=O)NC 527a_100000693194_100000212188 [1,1,0,0,0,0|2,0,0]=4 546 B12R0.142 CCCCCC(=O)NCC(=O)OC 188690a_100000185156_100000212188 [1,1,0,0,0,0|1,0,0]=3 547 B12R0.142 CCCCCC(=O)NNC(=O)CO 22a_100000189784_100000210174 [1,1,0,0,0,0|2,0,0]=4 548 B12R0.142 CCCOCC(=O)NCC(=O)OC 188690a_100000185156_100000745993 [1,1,0,0,0,0|2,0,0]=4 549 B12R0.142 CCCOCC(=O)NCC(=O)OC 34a_100000210258_100000182966 [1,1,0,0,0,0|2,0,0]=4 550 B12R0.142 CCCSCC(=O)NCC(=O)OC 188690a_100000185156_100000217233 [1,1,0,0,0,0|2,0,0]=4 551 B12R0.142 CCCSCC(=O)NCC(=O)OC 62a_100000182966_100000210303 [1,1,0,0,0,0|2,0,0]=4 552 B12R0.142 CCCSCC(=O)NCC(=O)OC 62a_100000210303_100000182966 [1,1,0,0,0,0|2,0,0]=4 553 B12R0.142 CCOCCC(=O)NCC(=O)OC 188690a_100000185156_100000749530 [1,1,0,0,0,0|2,0,0]=4 554 B12R0.142 CCSCCC(=O)NCC(=O)OC 188690a_100000185156_100000230768 [1,1,0,0,0,0|2,0,0]=4 555 B12R0.142 CNC(=O)CNC(=O)CCCOC 11a_100000693194_100000741012 [1,1,0,0,0,0|1,1,0]=4 556 B12R0.142 CNC(=O)CNC(=O)CCCOC 240690a_100000693194_100000741012 [1,1,0,0,0,0|1,1,0]=4 557 B12R0.142 CNC(=O)CNC(=O)CCCOC 527a_100000693194_100000741012 [1,1,0,0,0,0|1,1,0]=4 558 B12R0.142 CNC(=O)CNC(=O)CCCSC 11a_100000693194_100000173376 [1,1,0,0,0,0|1,0,0]=3 559 B12R0.142 CNC(=O)CNC(=O)CCCSC 240690a_100000693194_100000173376 [1,1,0,0,0,0|1,0,0]=3 560 B12R0.142 CNC(=O)CNC(=O)CCCSC 527a_100000693194_100000173376 [1,1,0,0,0,0|1,0,0]=3 561 B12R0.142 CNC(=O)CNC(=O)NCCSC 2708a_100020590264_100000693194 [1,1,0,0,0,0|2,0,0]=4 562 B12R0.142 CNC(=O)CNC(=O)NCCSC 273464a_100000693194_100020590264 [1,1,0,0,0,0|2,0,0]=4 563 B12R0.142 CNC(=O)CNC(=O)NCCSC 273464a_100020590264_100000693194 [1,1,0,0,0,0|2,0,0]=4 564 B12R0.142 CNC(=O)CNC(=O)NCCSC 512a_100020590264_100000693194 [1,1,0,0,0,0|2,0,0]=4 565 B12R0.142 COC(=O)CCC(=O)CSCSC 62a_100000691467_100011218213 [1,1,0,0,0,0|2,0,0]=4 566 B12R0.142 COC(=O)CCC(=O)CSCSC 62a_100011218213_100000691467 [1,1,0,0,0,0|2,0,0]=4 567 B12R0.142 COC(=O)CCC(=O)NCCSC 11a_100020590264_100000187943 [1,1,0,0,0,0|2,0,0]=4 568 B12R0.142 COC(=O)CCC(=O)NCCSC 1626a_100020590264_100000187943 [1,1,0,0,0,0|2,0,0]=4 569 B12R0.142 COC(=O)CCC(=O)NCCSC 240690a_100020590264_100000187943 [1,1,0,0,0,0|2,0,0]=4 570 B12R0.142 COC(=O)CCC(=O)NCCSC 527a_100020590264_100000187943 [1,1,0,0,0,0|2,0,0]=4 571 B12R0.142 COC(=O)CNC(=O)CCCCO 188690a_100000185156_100000695505 [1,1,0,0,0,0|2,0,0]=4 572 B12R0.142 COC(=O)CNC(=O)CCCSC 188690a_100000185156_100000173376 [1,1,0,0,0,0|0,0,0]=2 573 B12R0.142 COC(=O)CNC(=O)CSCSC 62a_100000182966_100011218213 [1,1,0,0,0,0|1,0,0]=3 574 B12R0.142 COC(=O)CNC(=O)CSCSC 62a_100011218213_100000182966 [1,1,0,0,0,0|1,0,0]=3 575 B12R0.142 COCCCC(=O)CCC(=O)OC 1458a_100000187943_100000740836 [1,1,0,0,0,0|1,1,0]=4 576 B12R0.142 COCCCC(=O)NCC(=O)OC 188690a_100000185156_100000741012 [1,1,0,0,0,0|0,1,0]=3 577 B12R0.142 COCSCC(=O)NCC(=O)OC 62a_100000182966_100000766300 [1,1,0,0,0,0|1,1,0]=4 578 B12R0.142 COCSCC(=O)NCC(=O)OC 62a_100000766300_100000182966 [1,1,0,0,0,0|1,1,0]=4 579 B12R0.142 CO[C@H](C)CNC(=O)CCCSC 11a_100020591295_100000173376 [1,1,0,0,0,0|1,0,1]=4 580 B12R0.142 CO[C@H](C)CNC(=O)CCCSC 1626a_100020591295_100000173376 [1,1,0,0,0,0|1,0,1]=4 581 B12R0.142 CO[C@H](C)CNC(=O)CCCSC 240690a_100020591295_100000173376 [1,1,0,0,0,0|1,0,1]=4 582 B12R0.142 CO[C@H](C)CNC(=O)CCCSC 527a_100020591295_100000173376 [1,1,0,0,0,0|1,0,1]=4 583 B12R0.142 CSCCCC(=O)NCC(C)CO 240690a_100000744482_100000173376 [1,1,0,0,0,0|1,0,1]=4 584 B12R0.142 CSCCCC(=O)NCC(C)CO 527a_100000744482_100000173376 [1,1,0,0,0,0|1,0,1]=4 585 B12R0.142 CSCCCC(=O)NC[C@@H](F)CO 240690a_100015665980_100000173376 [1,1,0,0,0,0|1,0,1]=4 586 B12R0.142 CSCCCC(=O)NC[C@@H](F)CO 527a_100015665980_100000173376 [1,1,0,0,0,0|1,0,1]=4 587 B12R0.142 CSCCCC(=O)NC[C@H](O)CO 240690a_100020644852_100000173376 [1,1,0,0,0,0|0,0,2]=4 588 B12R0.142 CSCCCC(=O)NC[C@H](O)CO 527a_100020644852_100000173376 [1,1,0,0,0,0|0,0,2]=4 589 B12R0.189 CCC(C)CCC(=O)NCC(=O)N 11a_100000711301_100000701222 [1,1,0,0,0,0|2,0,0]=4 590 B12R0.189 CCC(C)CCC(=O)NCC(=O)N 240690a_100000711301_100000701222 [1,1,0,0,0,0|2,0,0]=4 591 B12R0.189 CCC(C)CCC(=O)NCC(=O)N 527a_100000711301_100000701222 [1,1,0,0,0,0|2,0,0]=4 592 B12R0.189 CCC(C)NCC(=O)NCC(=O)O 269956a_100000183575_100000758301 [1,1,0,0,0,0|2,0,0]=4 593 B12R0.189 CCC(O)CCC(=O)NCC(=O)N 240690a_100000711301_203496584001 [1,1,0,0,0,0|2,0,0]=4 594 B12R0.189 COC(C)NCC(=O)NCC(=O)O 269956a_100000183575_100009879195 [1,1,0,0,0,0|1,1,0]=4 595 B12R0.255 C#CCCNCC(=O)NCC(=O)O 269956a_100000183575_100000688953 [1,1,0,0,0,0|1,0,1]=4 596 B12R0.255 C#CCNCCC(=O)NCC(=O)O 269956a_100000722369_100000184674 [1,1,0,0,0,0|1,0,1]=4 597 B12R0.255 C/C=C/CNCC(=O)NCC(=O)O 269956a_100000183575_100102629194 [1,1,0,0,0,0|1,0,1]=4 598 B12R0.255 C=C(C)CNC(=O)NCCCSC 2708a_100000749238_100000765925 [1,1,0,0,0,0|2,0,0]=4 599 B12R0.255 C=C(C)CNC(=O)NCCCSC 2708a_100000765925_100000749238 [1,1,0,0,0,0|2,0,0]=4 600 B12R0.255 C=C(C)CNC(=O)NCCCSC 273464a_100000749238_100000765925 [1,1,0,0,0,0|2,0,0]=4 601 B12R0.255 C=C(C)CNC(=O)NCCCSC 273464a_100000765925_100000749238 [1,1,0,0,0,0|2,0,0]=4 602 B12R0.255 C=C(C)CNC(=O)NCCCSC 512a_100000749238_100000765925 [1,1,0,0,0,0|2,0,0]=4 603 B12R0.255 C=C(C)CNC(=O)NCCCSC 512a_100000765925_100000749238 [1,1,0,0,0,0|2,0,0]=4 604 B12R0.255 C=CCCNCC(=O)NCC(=O)O 269956a_100000183575_100000754431 [1,1,0,0,0,0|1,0,1]=4 605 B12R0.255 C=CCNCCC(=O)NCC(=O)O 269956a_100000722369_100000210623 [1,1,0,0,0,0|1,0,1]=4 606 B12R0.255 CC#CCNCC(=O)NCC(=O)O 269956a_100000183575_100000748600 [1,1,0,0,0,0|1,0,1]=4 607 B12R0.255 CCCCCCC(=O)NCC(=O)N 11a_100000711301_100102632555 [1,1,0,0,0,0|2,0,0]=4 608 B12R0.255 CCCCCCC(=O)NCC(=O)N 240690a_100000711301_100102632555 [1,1,0,0,0,0|2,0,0]=4 609 B12R0.255 CCCCCCC(=O)NCC(=O)N 527a_100000711301_100102632555 [1,1,0,0,0,0|2,0,0]=4 610 B12R0.255 CCCCCNC(=O)NCC(=O)N 2708a_100000209983_100000711301 [1,1,0,0,0,0|2,0,0]=4 611 B12R0.255 CCCCCNC(=O)NCC(=O)N 273464a_100000209983_100000711301 [1,1,0,0,0,0|2,0,0]=4 612 B12R0.255 CCCCCNC(=O)NCC(=O)N 273464a_100000711301_100000209983 [1,1,0,0,0,0|2,0,0]=4 613 B12R0.255 CCCCCNC(=O)NCC(=O)N 512a_100000209983_100000711301 [1,1,0,0,0,0|2,0,0]=4 614 B12R0.255 CCCCNCC(=O)NCC(=O)O 269956a_100000183575_100000210211 [1,1,0,0,0,0|1,0,0]=3 615 B12R0.255 CCCCOCC(=O)NCC(=O)N 11a_100000711301_100000757543 [1,1,0,0,0,0|2,0,0]=4 616 B12R0.255 CCCCOCC(=O)NCC(=O)N 240690a_100000711301_100000757543 [1,1,0,0,0,0|2,0,0]=4 617 B12R0.255 CCCCOCC(=O)NCC(=O)N 527a_100000711301_100000757543 [1,1,0,0,0,0|2,0,0]=4 618 B12R0.255 CCCCSCC(=O)NCC(=O)N 11a_100000711301_100000191162 [1,1,0,0,0,0|2,0,0]=4 619 B12R0.255 CCCCSCC(=O)NCC(=O)N 240690a_100000711301_100000191162 [1,1,0,0,0,0|2,0,0]=4 620 B12R0.255 CCCCSCC(=O)NCC(=O)N 527a_100000711301_100000191162 [1,1,0,0,0,0|2,0,0]=4 621 B12R0.255 CCCNCCC(=O)NCC(=O)O 269956a_100000722369_100000210207 [1,1,0,0,0,0|1,0,0]=3 622 B12R0.255 CCOCNCC(=O)NCC(=O)O 269956a_100000183575_100000739092 [1,1,0,0,0,0|1,1,0]=4 623 B12R0.255 CCSCCNC(=O)NCC(=O)N 2708a_100000106463_100000711301 [1,1,0,0,0,0|2,0,0]=4 624 B12R0.255 CCSCCNC(=O)NCC(=O)N 273464a_100000106463_100000711301 [1,1,0,0,0,0|2,0,0]=4 625 B12R0.255 CCSCCNC(=O)NCC(=O)N 273464a_100000711301_100000106463 [1,1,0,0,0,0|2,0,0]=4 626 B12R0.255 CCSCCNC(=O)NCC(=O)N 512a_100000106463_100000711301 [1,1,0,0,0,0|2,0,0]=4 627 B12R0.255 COCCCNC(=O)NCC(=O)N 2708a_100150723488_100000711301 [1,1,0,0,0,0|1,1,0]=4 628 B12R0.255 COCCCNC(=O)NCC(=O)N 273464a_100000711301_100150723488 [1,1,0,0,0,0|1,1,0]=4 629 B12R0.255 COCCCNC(=O)NCC(=O)N 273464a_100150723488_100000711301 [1,1,0,0,0,0|1,1,0]=4 630 B12R0.255 COCCNCC(=O)NCC(=O)O 269956a_100000183575_100000233755 [1,1,0,0,0,0|0,1,0]=3 631 B12R0.255 COCCOCC(=O)NCC(=O)N 11a_100000711301_100000211095 [1,1,0,0,0,0|1,1,0]=4 632 B12R0.255 COCCOCC(=O)NCC(=O)N 240690a_100000711301_100000211095 [1,1,0,0,0,0|1,1,0]=4 633 B12R0.255 COCCOCC(=O)NCC(=O)N 527a_100000711301_100000211095 [1,1,0,0,0,0|1,1,0]=4 634 B12R0.255 COCNCCC(=O)NCC(=O)O 269956a_100000722369_100000766300 [1,1,0,0,0,0|0,1,0]=3 635 B12R0.255 CSCCCNC(=O)CCC(=O)N 240690a_100000749238_100011215257 [1,1,0,0,0,0|2,0,0]=4 636 B12R0.255 CSCCCNC(=O)CCC(=O)N 527a_100000749238_100011215257 [1,1,0,0,0,0|2,0,0]=4 637 B12R0.255 CSCCCNC(=O)NCC(=O)N 2708a_100000749238_100000711301 [1,1,0,0,0,0|1,0,0]=3 638 B12R0.255 CSCCCNC(=O)NCC(=O)N 273464a_100000711301_100000749238 [1,1,0,0,0,0|1,0,0]=3 639 B12R0.255 CSCCCNC(=O)NCC(=O)N 273464a_100000749238_100000711301 [1,1,0,0,0,0|1,0,0]=3 640 B12R0.255 CSCCCNC(=O)NCC(=O)N 512a_100000749238_100000711301 [1,1,0,0,0,0|1,0,0]=3 641 B12R0.255 CSCCCNC(=O)NCC(C)O 2708a_100000749238_100000210904 [1,1,0,0,0,0|1,0,1]=4 642 B12R0.255 CSCCCNC(=O)NCC(C)O 273464a_100000210904_100000749238 [1,1,0,0,0,0|1,0,1]=4 643 B12R0.255 CSCCCNC(=O)NCC(C)O 273464a_100000749238_100000210904 [1,1,0,0,0,0|1,0,1]=4 644 B12R0.255 CSCCCNC(=O)NCC(C)O 512a_100000210904_100000749238 [1,1,0,0,0,0|1,0,1]=4 645 B12R0.255 CSCCCNC(=O)NCC(C)O 512a_100000749238_100000210904 [1,1,0,0,0,0|1,0,1]=4 646 B12R0.255 CSCCCNC(=O)NNC(=O)C 273464a_100000749238_100000189765 [1,1,0,0,0,0|2,0,0]=4 647 B12R0.255 CSCCCNC(=O)NNC(=O)C 512a_100000189765_100000749238 [1,1,0,0,0,0|2,0,0]=4 648 B12R0.255 CSCCNCC(=O)NCC(=O)O 269956a_100000183575_100000212216 [1,1,0,0,0,0|0,0,0]=2 649 B12R0.255 CSCCNCC(=O)NNC(=O)C 2230a_100020590264_100000181415 [1,1,0,0,0,0|2,0,0]=4 650 B12R0.255 CSCCOCC(=O)NNC(=O)C 7a_100000230434_100000181415 [1,1,0,0,0,0|2,0,0]=4 651 B12R0.255 CSCCSCC(=O)NNC(=O)C 62a_100000181415_100000751147 [1,1,0,0,0,0|2,0,0]=4 652 B12R0.255 CSCCSCC(=O)NNC(=O)C 62a_100000212216_100000181415 [1,1,0,0,0,0|2,0,0]=4 653 B12R0.255 CSCNCCC(=O)NCC(=O)O 269956a_100000722369_100011218213 [1,1,0,0,0,0|0,0,0]=2 654 B12R0.255 N#CCCNCC(=O)NCC(=O)O 269956a_100000183575_100011215226 [1,1,0,0,0,0|2,0,0]=4 655 B12R0.255 N#CCNCCC(=O)NCC(=O)O 269956a_100000722369_100011215382 [1,1,0,0,0,0|2,0,0]=4 656 B12R0.255 N#CSCNCC(=O)NCC(=O)O 269956a_100000183575_100000211825 [1,1,0,0,0,0|1,0,1]=4 657 B12R0.255 NC(=O)CNC(=O)CCCCCO 240690a_100000711301_100102619762 [1,1,0,0,0,0|2,0,0]=4 658 B12R0.255 O=C(O)CNC(=O)CCNCCF 269956a_100000722369_100011217306 [1,1,0,0,0,0|2,0,0]=4 659 B12R0.255 O=C(O)CNC(=O)CCNCCO 269956a_100000722369_100000211926 [1,1,0,0,0,0|2,0,0]=4 660 B12R0.255 O=C(O)CNC(=O)CNCCCF 269956a_100000183575_100011934791 [1,1,0,0,0,0|2,0,0]=4 661 B12R0.255 O=C(O)CNC(=O)CNCCCO 269956a_100000183575_100011215043 [1,1,0,0,0,0|2,0,0]=4 662 B12R0.255 O=CCNCCC(=O)NCC(=O)O 269956a_100000722369_200015260668 [1,1,0,0,0,0|2,0,0]=4 663 B12R0.283 CCCC(C)CC(=O)NCC(=O)N 11a_100000711301_100000748435 [1,1,0,0,0,0|2,0,0]=4 664 B12R0.283 CCCC(C)CC(=O)NCC(=O)N 240690a_100000711301_100000748435 [1,1,0,0,0,0|2,0,0]=4 665 B12R0.283 CCCC(C)CC(=O)NCC(=O)N 527a_100000711301_100000748435 [1,1,0,0,0,0|2,0,0]=4 666 B12R0.649 CSCCCC(=O)NCC(C)(C)O 1626a_100000751335_100000173376 [1,1,0,0,0,0|1,0,1]=4 667 B12R0.649 CSCCCC(=O)NCC(C)(C)O 240690a_100000751335_100000173376 [1,1,0,0,0,0|1,0,1]=4 668 B12R0.649 CSCCCC(=O)NCC(C)(C)O 527a_100000751335_100000173376 [1,1,0,0,0,0|1,0,1]=4 669 B12R0.30 CCCC(CC)C(=O)NCC(=O)N 11a_100000711301_100011416436 [1,1,0,0,0,0|2,0,0]=4 670 B12R0.30 CCCC(CC)C(=O)NCC(=O)N 240690a_100000711301_100011416436 [1,1,0,0,0,0|2,0,0]=4 671 B12R0.30 CCCC(CC)C(=O)NCC(=O)N 527a_100000711301_100011416436 [1,1,0,0,0,0|2,0,0]=4 672 B12R0.76 CCCC(C)C(=O)N[C@H](C)C(=O)N 11a_100000119354_100000210906 [1,1,0,0,0,0|2,0,0]=4 673 B12R0.76 CCCC(C)C(=O)N[C@H](C)C(=O)N 240690a_100000119354_100000210906 [1,1,0,0,0,0|2,0,0]=4 674 B12R0.76 CCCC(C)C(=O)N[C@H](C)C(=O)N 527a_100000119354_100000210906 [1,1,0,0,0,0|2,0,0]=4 675 B12R0.76 CCC[C@H](O)C(=O)N[C@H](C)C(=O)N 240690a_100000119354_100009822183 [1,1,0,0,0,0|2,0,0]=4 676 B12R0.76 CCN[C@@H](C)C(=O)N[C@@H](C)C(=O)O 269956a_100011424888_100000210202 [1,1,0,0,0,0|2,0,0]=4 677 B12R0.76 CSCC(C)C(=O)N[C@H](C)C(=O)N 11a_100000119354_100000753918 [1,1,0,0,0,0|2,0,0]=4 678 B12R0.76 CSCC(C)C(=O)N[C@H](C)C(=O)N 240690a_100000119354_100000753918 [1,1,0,0,0,0|2,0,0]=4 679 B12R0.76 CSCC(C)C(=O)N[C@H](C)C(=O)N 527a_100000119354_100000753918 [1,1,0,0,0,0|2,0,0]=4 680 B12R0.174 CCCC(C)(C)C(=O)NCC(=O)N 11a_100000711301_100011215034 [1,1,0,0,0,0|2,0,0]=4 681 B12R0.174 CCCC(C)(C)C(=O)NCC(=O)N 240690a_100000711301_100011215034 [1,1,0,0,0,0|2,0,0]=4 682 B12R0.174 CCCC(C)(C)C(=O)NCC(=O)N 527a_100000711301_100011215034 [1,1,0,0,0,0|2,0,0]=4 683 B12R0.191 CCCC(C)C(=O)N(C)CC(=O)N 11a_100000739694_100000210906 [1,1,0,0,0,0|2,0,0]=4 684 B12R0.191 CCCC(C)C(=O)N(C)CC(=O)N 527a_100000739694_100000210906 [1,1,0,0,0,0|2,0,0]=4 685 B12R0.191 CSCC(C)C(=O)N(C)CC(=O)N 11a_100000739694_100000753918 [1,1,0,0,0,0|2,0,0]=4 686 B12R0.191 CSCC(C)C(=O)N(C)CC(=O)N 527a_100000739694_100000753918 [1,1,0,0,0,0|2,0,0]=4 687 B12R0.193 CCCC(C)C(=O)CCC(=O)OC 1458a_100000187943_100000766640 [1,1,0,0,0,0|2,0,0]=4 688 B12R0.193 CCCC(C)C(=O)NCC(=O)NC 11a_100000693194_100000210906 [1,1,0,0,0,0|2,0,0]=4 689 B12R0.193 CCCC(C)C(=O)NCC(=O)NC 240690a_100000693194_100000210906 [1,1,0,0,0,0|2,0,0]=4 690 B12R0.193 CCCC(C)C(=O)NCC(=O)NC 527a_100000693194_100000210906 [1,1,0,0,0,0|2,0,0]=4 691 B12R0.193 CCCC(C)C(=O)NCC(=O)OC 188690a_100000185156_100000210906 [1,1,0,0,0,0|1,0,0]=3 692 B12R0.193 CCC[C@H](O)C(=O)NCC(=O)NC 240690a_100000693194_100009822183 [1,1,0,0,0,0|2,0,0]=4 693 B12R0.193 CCC[C@H](O)C(=O)NCC(=O)OC 188690a_100000185156_100009822183 [1,1,0,0,0,0|1,0,0]=3 694 B12R0.193 CCOC(C)C(=O)NCC(=O)OC 188690a_100000185156_100000739345 [1,1,0,0,0,0|2,0,0]=4 695 B12R0.193 CCSC(C)C(=O)NCC(=O)OC 188690a_100000185156_100000230601 [1,1,0,0,0,0|2,0,0]=4 696 B12R0.193 CNC(=O)CNC(=O)C(C)CSC 11a_100000693194_100000753918 [1,1,0,0,0,0|2,0,0]=4 697 B12R0.193 CNC(=O)CNC(=O)C(C)CSC 240690a_100000693194_100000753918 [1,1,0,0,0,0|2,0,0]=4 698 B12R0.193 CNC(=O)CNC(=O)C(C)CSC 527a_100000693194_100000753918 [1,1,0,0,0,0|2,0,0]=4 699 B12R0.193 COC(=O)CNC(=O)C(C)CSC 188690a_100000185156_100000753918 [1,1,0,0,0,0|1,0,0]=3 700 B12R0.193 COCC(C)C(=O)NCC(=O)OC 188690a_100000185156_100000751857 [1,1,0,0,0,0|1,1,0]=4 701 B12R0.258 CC(C)C[C@H](O)C(=O)NCC(=O)N 240690a_100000711301_100012027011 [1,1,0,0,0,0|2,0,0]=4 702 B12R0.258 CC(C)N[C@@H](C)C(=O)NCC(=O)O 269956a_200011416764_100000210206 [1,1,0,0,0,0|2,0,0]=4 703 B12R0.102 COC(=O)COC[C@@H](N)CCSC 34a_100011827619_100000747449 [1,1,0,0,0,0|1,0,1]=4 704 B12R0.97 CSCCC(O)C(=O)C(C)C(=O)C 1458a_100000685904_100000179758 [0,1,0,0,1,0|2,0,0]=4 705 B12R0.97 CSCCC(O)C(=O)C(C)C(=O)N 1458a_100000685904_100000702099 [0,1,0,0,1,0|2,0,0]=4 706 B12R0.97 CSCCC(O)C(=O)C(F)C(=O)N 1458a_100000685904_100009813875 [0,1,0,0,1,0|2,0,0]=4 707 B12R0.97 CSCCC(O)C(=O)C(F)C(=O)[O-] 1458a_100000685904_100020610796 [0,1,0,0,1,0|1,0,1]=4 708 B14R0.449 COC(=O)CNC(=O)CC(=O)CCSC 1458a_100000174002_100000182966 [0,1,0,0,0,1|1,0,1]=4 709 B14R0.449 COC(=O)CNC(=O)CN(C)CCSC 2230a_100000686725_100000182966 [0,1,0,0,0,1|2,0,0]=4 710 B14R0.449 COC(=O)CNC(=O)CN(C)CCSC 269982a_100000686725_100000182966 [0,1,0,0,0,1|2,0,0]=4 711 B14R0.2268 CSCC[C@@H](CO)NC(=O)NCC(=O)N 273464a_100000711301_100011827619 [0,1,0,0,0,1|2,0,0]=4 712 B14R0.2268 CSCC[C@@H](CO)NC(=O)NCC(=O)N 273464a_100011827619_100000711301 [0,1,0,0,0,1|2,0,0]=4 713 B14R0.2268 CSCC[C@@H](CO)NC(=O)NCC(=O)N 512a_100011827619_100000711301 [0,1,0,0,0,1|2,0,0]=4 714 B14R0.42 CCCCC(C)C(=O)NCCC(=O)OC 188690a_100000683876_100000725509 [0,1,0,0,0,1|2,0,0]=4 715 B14R0.42 CCCCC(O)C(=O)NCCC(=O)OC 188690a_100000683876_100000720857 [0,1,0,0,0,1|2,0,0]=4 716 B14R0.42 CNC(=O)CCNC(=O)C(O)CCSC 240690a_100000738227_100000685904 [0,1,0,0,0,1|2,0,0]=4 717 B14R0.42 COC(=O)CCCC(=O)C(O)CCSC 1458a_100000685904_100011218270 [0,1,0,0,0,1|2,0,0]=4 718 B14R0.42 COC(=O)CCNC(=O)C(O)CCSC 188690a_100000683876_100000685904 [0,1,0,0,0,1|1,0,0]=3 719 B14R0.58 CCCCC(C)C(=O)N[C@H](C)C(=O)OC 188690a_100000687819_100000725509 [0,2,0,0,0,0|2,0,0]=4 720 B14R0.58 CCCCC(O)C(=O)N[C@H](C)C(=O)OC 188690a_100000687819_100000720857 [0,2,0,0,0,0|2,0,0]=4 721 B14R0.58 CNC(=O)[C@@H](C)NC(=O)C(O)CCSC 240690a_100000684985_100000685904 [0,2,0,0,0,0|2,0,0]=4 722 B14R0.58 COC(=O)[C@@H](C)NC(=O)C(O)CCSC 188690a_100000687819_100000685904 [0,2,0,0,0,0|1,0,0]=3 723 B14R0.158 CCCCC(C)C(=O)N(C)CC(=O)OC 11a_100000198492_100000725509 [0,2,0,0,0,0|2,0,0]=4 724 B14R0.158 CCCCC(C)C(=O)N(C)CC(=O)OC 1626a_100000198492_100000725509 [0,2,0,0,0,0|2,0,0]=4 725 B14R0.158 CCCCC(C)C(=O)N(C)CC(=O)OC 240690a_100000198492_100000725509 [0,2,0,0,0,0|2,0,0]=4 726 B14R0.158 CCCCC(C)C(=O)N(C)CC(=O)OC 527a_100000198492_100000725509 [0,2,0,0,0,0|2,0,0]=4 727 B14R0.158 CCCCC(O)C(=O)N(C)CC(=O)OC 240690a_100000198492_100000720857 [0,2,0,0,0,0|2,0,0]=4 728 B14R0.158 CCCCC(O)C(=O)N(C)CC(=O)OC 527a_100000198492_100000720857 [0,2,0,0,0,0|2,0,0]=4 729 B14R0.158 CNC(=O)CN(C)C(=O)C(O)CCSC 240690a_100000189611_100000685904 [0,2,0,0,0,0|2,0,0]=4 730 B14R0.158 COC(=O)CN(C)C(=O)C(O)CCSC 240690a_100000198492_100000685904 [0,2,0,0,0,0|1,0,0]=3 731 B14R0.473 CCCCCC(C)C(=O)NCC(=O)OC 188690a_100000185156_100011215998 [0,2,0,0,0,0|2,0,0]=4 732 B14R0.473 CCCCSC(C)C(=O)NCC(=O)OC 188690a_100000185156_100000191163 [0,2,0,0,0,0|2,0,0]=4 733 B14R0.597 CCCCC(C)C(=O)NCC(=O)OCC 188690a_100000741813_100000725509 [0,2,0,0,0,0|2,0,0]=4 734 B14R0.597 CCCCC(O)C(=O)NCC(=O)OCC 188690a_100000741813_100000720857 [0,2,0,0,0,0|2,0,0]=4 735 B14R0.597 CCNC(=O)CNC(=O)C(O)CCSC 240690a_100016988866_100000685904 [0,2,0,0,0,0|2,0,0]=4 736 B14R0.597 CCOC(=O)CNC(=O)C(O)CCSC 188690a_100000741813_100000685904 [0,2,0,0,0,0|1,0,0]=3 737 B14R0.597 COCC(=O)NNC(=O)C(O)CCSC 22a_100000216845_100000685904 [0,2,0,0,0,0|2,0,0]=4 738 B14R0.1477 CCC(C)CN[C@@H](C)C(=O)NCC(=O)O 269956a_200011416764_100000748023 [0,2,0,0,0,0|2,0,0]=4 739 B14R0.1477 CCC(O)CN[C@@H](C)C(=O)NCC(=O)O 269956a_200011416764_100011218378 [0,2,0,0,0,0|2,0,0]=4 740 B14R0.1477 CC[C@H](C)CN[C@@H](C)C(=O)NCC(=O)O 269956a_200011416764_100009816398 [0,2,0,0,0,0|2,0,0]=4 741 B14R0.2496 CCCCC(C)(C)C(=O)NCC(=O)OC 188690a_100000185156_100011216040 [0,2,0,0,0,0|2,0,0]=4 742 B14R0.2496 CCCCC(C)(O)C(=O)NCC(=O)OC 188690a_100000185156_100000137666 [0,2,0,0,0,0|2,0,0]=4 743 B14R0.2496 CCCCC(F)(F)C(=O)NCC(=O)OC 188690a_100000185156_100000100317 [0,2,0,0,0,0|2,0,0]=4 744 B14R0.2911 CCCCC(CC)C(=O)NCC(=O)OC 188690a_100000185156_100000211130 [0,2,0,0,0,0|2,0,0]=4 745 B14R0.1172 CCCC(C)N[C@@H](C)C(=O)NCC(=O)O 269956a_200011416764_100000766640 [0,2,0,0,0,0|2,0,0]=4 746 B14R0.1172 COCC(C)N[C@@H](C)C(=O)NCC(=O)O 269956a_200011416764_100000765312 [0,2,0,0,0,0|1,1,0]=4 747 B14R0.241 CCCCN[C@@H](C)C(=O)N[C@@H](C)C(=O)O 269956a_100011424888_100000210211 [0,2,0,0,0,0|2,0,0]=4 748 B14R0.241 COCCN[C@@H](C)C(=O)N[C@@H](C)C(=O)O 269956a_100011424888_100000233755 [0,2,0,0,0,0|1,1,0]=4 749 B14R0.241 CSCCN[C@@H](C)C(=O)N[C@@H](C)C(=O)O 269956a_100011424888_100000212216 [0,2,0,0,0,0|1,0,0]=3 750 B14R0.588 CSCCC(O)C(=O)NC(C)(C)C(=O)N 240690a_100000743658_100000685904 [0,2,0,0,0,0|2,0,0]=4 751 B14R0.591 CCC(NC(=O)C(O)CCSC)C(=O)N 240690a_100000733705_100000685904 [0,2,0,0,0,0|2,0,0]=4 752 B14R0.591 CSCCC(O)C(=O)N[C@@H](CO)C(=O)N 240690a_100000729942_100000685904 [0,2,0,0,0,0|2,0,0]=4 753 B14R0.511 CCCCCN[C@@H](C)C(=O)NCC(=O)O 269956a_200011416764_100000210326 [0,2,0,0,0,0|2,0,0]=4 754 B14R0.511 CCOCCN[C@@H](C)C(=O)NCC(=O)O 269956a_200011416764_100000210147 [0,2,0,0,0,0|1,1,0]=4 755 B14R0.511 CCSCCN[C@@H](C)C(=O)NCC(=O)O 269956a_200011416764_100000757381 [0,2,0,0,0,0|1,0,0]=3 756 B14R0.511 COCCCN[C@@H](C)C(=O)NCC(=O)O 269956a_200011416764_100000740836 [0,2,0,0,0,0|1,1,0]=4 757 B14R0.511 C[C@H](NCCCCF)C(=O)NCC(=O)O 269956a_200011416764_100000729493 [0,2,0,0,0,0|2,0,0]=4 758 B14R0.511 C[C@H](NCCCCO)C(=O)NCC(=O)O 269956a_200011416764_100000210776 [0,2,0,0,0,0|2,0,0]=4 759 B14R0.511 C[C@H](NCCSC#N)C(=O)NCC(=O)O 269956a_200011416764_100000034367 [0,2,0,0,0,0|1,0,1]=4 760 B14R0.26 CCN[C@@H](CCSC)C(=O)NCC(=O)O 269956a_100011424035_100000210202 [0,2,0,0,0,0|0,0,0]=2 761 B14R0.26 CSCC[C@H](NCF)C(=O)NCC(=O)O 269956a_100011424035_100015361967 [0,2,0,0,0,0|0,0,0]=2 762 B12R1.30 C=CCNC(=O)C1CCSCC1 1626a_100020586998_100000755232 [1,0,0,1,0,0|2,0,0]=4 763 B12R1.30 C=CCNC(=O)C1CCSCC1 240690a_100020586998_100000755232 [1,0,0,1,0,0|2,0,0]=4 764 B12R1.30 C=CCNC(=O)C1CCSCC1 527a_100020586998_100000755232 [1,0,0,1,0,0|2,0,0]=4 765 B12R1.30 O=C(NCCO)C1CCSCC1 240690a_100000210304_100000755232 [1,0,0,1,0,0|1,0,1]=4 766 B12R1.30 O=C(NCCO)C1CCSCC1 527a_100000210304_100000755232 [1,0,0,1,0,0|1,0,1]=4 767 B12R1.54 NC(=O)CNC(=O)C1CCCC1 11a_100000711301_100000210718 [1,0,0,1,0,0|2,0,0]=4 768 B12R1.54 NC(=O)CNC(=O)C1CCCC1 240690a_100000711301_100000210718 [1,0,0,1,0,0|2,0,0]=4 769 B12R1.54 NC(=O)CNC(=O)C1CCCC1 527a_100000711301_100000210718 [1,0,0,1,0,0|2,0,0]=4 770 B12R1.54 NC(=O)CNC(=O)C1CCOC1 11a_100000711301_100011219752 [1,0,0,1,0,0|1,1,0]=4 771 B12R1.54 NC(=O)CNC(=O)C1CCOC1 240690a_100000711301_100011219752 [1,0,0,1,0,0|1,1,0]=4 772 B12R1.54 NC(=O)CNC(=O)C1CCOC1 527a_100000711301_100011219752 [1,0,0,1,0,0|1,1,0]=4 773 B12R1.54 NC(=O)CNC(=O)N1CCSC1 273464a_100000711301_100011215254 [1,0,0,1,0,0|2,0,0]=4 774 B12R1.210 CC(=O)CN1CCCCCC1=O 1458a_100000181294_200000210301 [1,0,0,1,0,0|2,0,0]=4 775 B12R1.210 [13CH3]C(=O)CN1CCCCCC1=O 1458a_100000181294_200025704644 [1,0,0,1,0,0|2,0,0]=4 776 B12R1.397 CCC1CC1C(=O)NCC(=O)N 11a_100000711301_200011661523 [1,0,0,1,0,0|2,0,0]=4 777 B12R1.397 CCC1CC1C(=O)NCC(=O)N 240690a_100000711301_200011661523 [1,0,0,1,0,0|2,0,0]=4 778 B12R1.397 CCC1CC1C(=O)NCC(=O)N 527a_100000711301_200011661523 [1,0,0,1,0,0|2,0,0]=4 779 B12R1.486 CSCCCC(=O)N1CC(C1)O 11a_100000749847_100000173376 [1,0,0,1,0,0|1,0,1]=4 780 B12R1.486 CSCCCC(=O)N1CC(C1)O 240690a_100000749847_100000173376 [1,0,0,1,0,0|1,0,1]=4 781 B12R1.486 CSCCCC(=O)N1CC(C1)O 527a_100000749847_100000173376 [1,0,0,1,0,0|1,0,1]=4 782 B12R1.551 NC(=O)CNC(=O)CC1CCC1 11a_100000711301_100000763092 [1,0,0,1,0,0|2,0,0]=4 783 B12R1.551 NC(=O)CNC(=O)CC1CCC1 240690a_100000711301_100000763092 [1,0,0,1,0,0|2,0,0]=4 784 B12R1.551 NC(=O)CNC(=O)CC1CCC1 527a_100000711301_100000763092 [1,0,0,1,0,0|2,0,0]=4 785 B12R1.551 NC(=O)CNC(=O)CC1COC1 11a_100000711301_100000687760 [1,0,0,1,0,0|1,1,0]=4 786 B12R1.551 NC(=O)CNC(=O)NC1CSC1 2708a_100016994217_100000711301 [1,0,0,1,0,0|2,0,0]=4 787 B12R1.551 NC(=O)CNC(=O)NC1CSC1 273464a_100000711301_100016994217 [1,0,0,1,0,0|2,0,0]=4 788 B12R1.551 NC(=O)CNC(=O)NC1CSC1 273464a_100016994217_100000711301 [1,0,0,1,0,0|2,0,0]=4 789 B12R1.551 NC(=O)CNC(=O)NC1CSC1 512a_100016994217_100000711301 [1,0,0,1,0,0|2,0,0]=4 790 B12R1.552 NC(=O)CNC(=O)CCC1CC1 11a_100000711301_100000756386 [1,0,0,1,0,0|2,0,0]=4 791 B12R1.552 NC(=O)CNC(=O)CCC1CC1 240690a_100000711301_100000756386 [1,0,0,1,0,0|2,0,0]=4 792 B12R1.552 NC(=O)CNC(=O)CCC1CC1 527a_100000711301_100000756386 [1,0,0,1,0,0|2,0,0]=4 793 B12R1.552 O=C(O)CNC(=O)CNC1CC1 269956a_100000183575_100000211595 [1,0,0,1,0,0|2,0,0]=4 794 B12R1.221 CC1CC(C1)C(=O)NCC(=O)N 11a_100000711301_100000686124 [1,0,0,1,0,0|2,0,0]=4 795 B12R1.221 CC1CC(C1)C(=O)NCC(=O)N 240690a_100000711301_100000686124 [1,0,0,1,0,0|2,0,0]=4 796 B12R1.221 CC1CC(C1)C(=O)NCC(=O)N 527a_100000711301_100000686124 [1,0,0,1,0,0|2,0,0]=4 797 B12R1.2243 CC1(CCC1)C(=O)NCC(=O)N 11a_100000711301_100000684636 [1,0,0,1,0,0|2,0,0]=4 798 B12R1.2243 CC1(CCC1)C(=O)NCC(=O)N 240690a_100000711301_100000684636 [1,0,0,1,0,0|2,0,0]=4 799 B12R1.2243 CC1(CCC1)C(=O)NCC(=O)N 527a_100000711301_100000684636 [1,0,0,1,0,0|2,0,0]=4 800 B12R1.2243 NC(=O)CNC(=O)C1(CCC1)O 240690a_100000711301_100000242746 [1,0,0,1,0,0|2,0,0]=4 801 B12R1.107 NC(=O)CC(=O)C1CCSCC1 1458a_100000755232_100000187820 [0,0,0,1,1,0|2,0,0]=4 802 B12R1.107 O=C([O-])CC(=O)C1CCSCC1 1458a_100000755232_100020667443 [0,0,0,1,1,0|1,0,1]=4 803 B14R1.423 NC(=O)CNC(=O)NC1CCSCC1 2708a_100000748639_100000711301 [0,0,0,1,0,1|2,0,0]=4 804 B14R1.423 NC(=O)CNC(=O)NC1CCSCC1 273464a_100000711301_100000748639 [0,0,0,1,0,1|2,0,0]=4 805 B14R1.423 NC(=O)CNC(=O)NC1CCSCC1 273464a_100000748639_100000711301 [0,0,0,1,0,1|2,0,0]=4 806 B14R1.423 NC(=O)CNC(=O)NC1CCSCC1 512a_100000748639_100000711301 [0,0,0,1,0,1|2,0,0]=4 807 B14R1.165 CSCCC(O)C(=O)N1CNC(=O)C1 240690a_200000708111_100000685904 [0,0,0,1,0,1|2,0,0]=4 808 B14R1.420 NC(=O)CCNC(=O)C1CCSCC1 11a_100000740010_100000755232 [0,0,0,1,0,1|2,0,0]=4 809 B14R1.420 NC(=O)CCNC(=O)C1CCSCC1 240690a_100000740010_100000755232 [0,0,0,1,0,1|2,0,0]=4 810 B14R1.420 NC(=O)CCNC(=O)C1CCSCC1 527a_100000740010_100000755232 [0,0,0,1,0,1|2,0,0]=4 811 B14R1.420 O=C(O)CNCC(=O)C1CCCCC1 269956a_100016091260_100000241979 [0,0,0,1,0,1|2,0,0]=4 812 B14R1.420 O=C(O)CNCC(=O)C1CCOCC1 269956a_100016091260_100000689883 [0,0,0,1,0,1|1,1,0]=4 813 B14R1.162 COC(=O)CNC(=O)C1CCC(=O)N1 188690a_100000185156_100000210400 [0,1,0,1,0,0|2,0,0]=4 814 B14R1.162 COC(=O)CNC(=O)C1CCN(C1)C 188690a_100000185156_100000739633 [0,1,0,1,0,0|2,0,0]=4 815 B14R1.163 CNC(=O)CNC(=O)C1CCSCC1 11a_100000693194_100000755232 [0,1,0,1,0,0|2,0,0]=4 816 B14R1.163 CNC(=O)CNC(=O)C1CCSCC1 240690a_100000693194_100000755232 [0,1,0,1,0,0|2,0,0]=4 817 B14R1.163 CNC(=O)CNC(=O)C1CCSCC1 527a_100000693194_100000755232 [0,1,0,1,0,0|2,0,0]=4 818 B14R1.163 COC(=O)CNC(=O)C1CCCCC1 188690a_100000185156_100000210647 [0,1,0,1,0,0|2,0,0]=4 819 B14R1.163 COC(=O)CNC(=O)C1CCCCO1 188690a_100000185156_100000748299 [0,1,0,1,0,0|2,0,0]=4 820 B14R1.163 COC(=O)CNC(=O)C1CCOCC1 188690a_100000185156_100000195482 [0,1,0,1,0,0|1,1,0]=4 821 B14R1.163 COC(=O)CNC(=O)C1CCSCC1 188690a_100000185156_100000755232 [0,1,0,1,0,0|1,0,0]=3 822 B14R1.2139 COC(=O)CNC(=O)C1CC(C1)OC 188690a_100000185156_100011999411 [0,1,0,1,0,0|1,1,0]=4 823 B14R1.13577 COC(=O)CNC(=O)C1(CCCC1)C 188690a_100000185156_100000239728 [0,1,0,1,0,0|2,0,0]=4 824 B14R1.13577 COC(=O)CNC(=O)C1(CCCC1)O 188690a_100000185156_100000242637 [0,1,0,1,0,0|2,0,0]=4 825 B14R1.149 CC1=NCC[C@H](N1)C(=O)NCC(=O)N 11a_100000711301_100015271614 [0,1,0,1,0,0|2,0,0]=4 826 B14R1.149 CC1=NCC[C@H](N1)C(=O)NCC(=O)N 240690a_100000711301_100015271614 [0,1,0,1,0,0|2,0,0]=4 827 B14R1.1464 C[C@H](NC1CCC1)C(=O)NCC(=O)O 269956a_200011416764_100000749161 [0,1,0,1,0,0|2,0,0]=4 828 B14R1.1464 C[C@H](NC1COC1)C(=O)NCC(=O)O 269956a_200011416764_100009818527 [0,1,0,1,0,0|1,1,0]=4 829 B14R1.415 C[C@@H](NC(=O)C1CCSCC1)C(=O)N 11a_100000119354_100000755232 [0,1,0,1,0,0|2,0,0]=4 830 B14R1.415 C[C@@H](NC(=O)C1CCSCC1)C(=O)N 240690a_100000119354_100000755232 [0,1,0,1,0,0|2,0,0]=4 831 B14R1.415 C[C@@H](NC(=O)C1CCSCC1)C(=O)N 527a_100000119354_100000755232 [0,1,0,1,0,0|2,0,0]=4 832 B14R1.1465 C[C@H](NCC1CC1)C(=O)NCC(=O)O 269956a_200011416764_100000742324 [0,1,0,1,0,0|2,0,0]=4 833 B14R1.1465 C[C@H](NCC1CO1)C(=O)NCC(=O)O 269956a_200011416764_102125554688 [0,1,0,1,0,0|1,1,0]=4 834 B14R1.1465 C[C@H](NCC1CS1)C(=O)NCC(=O)O 269956a_200011416764_100000031435 [0,1,0,1,0,0|1,0,0]=3 835 B14R1.1465 C[C@H](NC[C@@H]1CO1)C(=O)NCC(=O)O 269956a_200011416764_100000745022 [0,1,0,1,0,0|1,1,0]=4 836 B14R1.417 CN(CC(=O)N)C(=O)C1CCSCC1 11a_100000739694_100000755232 [0,1,0,1,0,0|2,0,0]=4 837 B14R1.417 CN(CC(=O)N)C(=O)C1CCSCC1 527a_100000739694_100000755232 [0,1,0,1,0,0|2,0,0]=4 838 B10R0.6 C=C(C)CC(=O)CCCSC 1458a_100000173376_100000748629 [1,0,0,0,1,0|2,0,0]=4 839 B10R0.6 C=C(F)CC(=O)CCCSC 1458a_100000173376_100009893438 [1,0,0,0,1,0|2,0,0]=4 840 B10R0.6 CC(=O)CC(=O)OCCS[13CH3] 62a_100000102702_200025704644 [1,0,0,0,1,0|2,0,0]=4 841 B10R0.6 CC(=O)CC(=O)OCCS[13CH3] 62a_200025704644_100000102702 [1,0,0,0,1,0|2,0,0]=4 842 B10R0.6 CCCCCC(=O)CC(=O)C 1458a_100000070787_200012276598 [1,0,0,0,1,0|2,0,0]=4 843 B10R0.6 CCCCCC(=O)CC(=O)N 1458a_100000212188_100000187820 [1,0,0,0,1,0|2,0,0]=4 844 B10R0.6 CCCCCC(=O)CC(=O)N 1458a_100134613110_100000210326 [1,0,0,0,1,0|2,0,0]=4 845 B10R0.6 CCCCCC(=O)CC(=O)[O-] 1458a_100000212188_100020667443 [1,0,0,0,1,0|1,0,1]=4 846 B10R0.6 COCCCC(=O)CC(=O)N 1458a_100000741012_100000187820 [1,0,0,0,1,0|1,1,0]=4 847 B10R0.6 COCCCC(=O)CC(=O)N 1458a_100134613110_100000740836 [1,0,0,0,1,0|1,1,0]=4 848 B10R0.6 COCCCC(=O)CC(=O)[O-] 1458a_100000741012_100020667443 [1,0,0,0,1,0|0,1,1]=4 849 B10R0.6 CSCCCC(=O)CC(=O)N 1458a_100000173376_100000187820 [1,0,0,0,1,0|1,0,0]=3 850 B10R0.6 CSCCCC(=O)CC(=O)[O-] 1458a_100000173376_100020667443 [1,0,0,0,1,0|0,0,1]=3 851 B10R0.6 CSCCCC(=O)CC(C)O 1458a_100000173376_100011218427 [1,0,0,0,1,0|1,0,1]=4 852 B10R0.6 CSCCCC(=O)C[N+](=O)[O-] 1458a_100000173376_100000761209 [1,0,0,0,1,0|1,0,1]=4 853 B10R0.6 CSCCNC(=O)CC(=O)N 240690a_100020590264_100134613110 [1,0,0,0,1,0|2,0,0]=4 854 B10R0.6 CSCCNC(=O)CC(=O)N 527a_100020590264_100134613110 [1,0,0,0,1,0|2,0,0]=4 855 B10R0.6 CSCCOC(=O)CC(=O)C 62a_100000102702_200000210301 [1,0,0,0,1,0|2,0,0]=4 856 B10R0.6 CSCCOC(=O)CC(=O)C 62a_200000210301_100000102702 [1,0,0,0,1,0|2,0,0]=4 857 B10R0.6 CSCCOC(=O)NC(=O)N 62a_200000210301_100000054987 [1,0,0,0,1,0|2,0,0]=4 858 B10R0.6 CSCSCC(=O)NC(=O)C 62a_100011218213_100000183797 [1,0,0,0,1,0|2,0,0]=4 859 B10R0.6 CSCSCC(=O)NC(=O)N 62a_100011218213_100000182717 [1,0,0,0,1,0|2,0,0]=4 860 B10R0.6 [13CH3]SCCOC(=O)NC(=O)N 62a_200025704644_100000054987 [1,0,0,0,1,0|2,0,0]=4 861 B10R0.32 CCCC(C)C(=O)CC(=O)N 1458a_100000210906_100000187820 [1,0,0,0,1,0|2,0,0]=4 862 B10R0.32 CCCC(C)C(=O)CC(=O)N 1458a_100134613110_100000766640 [1,0,0,0,1,0|2,0,0]=4 863 B10R0.32 CCCC(C)C(=O)CC(=O)[O-] 1458a_100000210906_100020667443 [1,0,0,0,1,0|1,0,1]=4 864 B10R0.32 CCC[C@H](O)C(=O)CC(=O)N 1458a_100009822183_100000187820 [1,0,0,0,1,0|2,0,0]=4 865 B10R0.32 CCC[C@H](O)C(=O)CC(=O)[O-] 1458a_100009822183_100020667443 [1,0,0,0,1,0|1,0,1]=4 866 B10R0.32 CSCC(C)C(=O)CC(=O)N 1458a_100000753918_100000187820 [1,0,0,0,1,0|2,0,0]=4 867 B10R0.32 CSCC(C)C(=O)CC(=O)[O-] 1458a_100000753918_100020667443 [1,0,0,0,1,0|1,0,1]=4 868 B14R0.161 CCCCC(C)NCC(=O)NCC(=O)O 269956a_100000183575_200011215066 [0,0,0,0,0,2|2,0,0]=4 869 B14R0.46 CSCCC(O)C(=O)NCCCC(=O)N 240690a_100000739312_100000685904 [0,0,0,0,0,2|2,0,0]=4 870 B14R0.46 CSCCC(O)C(=O)NCCNC(=O)C 240690a_100000209853_100000685904 [0,0,0,0,0,2|2,0,0]=4 871 B14R0.46 CSCCC(O)C(=O)NCCNC(=O)N 240690a_100020590234_100000685904 [0,0,0,0,0,2|2,0,0]=4 872 B14R0.46 CSCCC(O)C(=O)NCCOC(=O)C 240690a_100000724843_100000685904 [0,0,0,0,0,2|2,0,0]=4 873 B14R0.46 CSCCC(O)C(=O)NCCSC(=O)C 240690a_100020647217_100000685904 [0,0,0,0,0,2|2,0,0]=4