0 B12R0.138 CC(=O)N[C@@H](CCC(=O)N)C(=O)N 11a_200000143477_100015343762 [0,0,0,0,0,0|2,0,0]=2 1 B12R0.138 CC(=O)N[C@@H](CCC(=O)N)C(=O)N 1626a_200000143477_100015343762 [0,0,0,0,0,0|2,0,0]=2 2 B12R0.138 CC(=O)N[C@@H](CCC(=O)N)C(=O)N 240690a_200000143477_100015343762 [0,0,0,0,0,0|2,0,0]=2 3 B12R0.138 CC(=O)N[C@@H](CCC(=O)N)C(=O)N 527a_200000143477_100103153847 [0,0,0,0,0,0|2,0,0]=2 4 B12R0.138 CC(=O)N[C@@H](CCS(=O)C)C(=O)C 1458a_200020641884_200000210301 [0,0,0,0,0,0|3,0,0]=3 5 B12R0.138 CC(=O)N[C@@H](CCS(=O)C)C(=O)[13CH3] 1458a_200020641884_200025704644 [0,0,0,0,0,0|3,0,0]=3 6 B12R0.138 CC(=O)N[C@@H](CSC(=O)C)C(=O)C 1458a_200015188492_200000210301 [0,0,0,0,0,0|3,0,0]=3 7 B12R0.138 CC(=O)N[C@@H](CSC(=O)C)C(=O)[13CH3] 1458a_200015188492_200025704644 [0,0,0,0,0,0|3,0,0]=3 8 B12R0.138 CC(C)N[C@@H](CCC(=O)N)C(=O)N 2230a_200000143477_100000210206 [0,0,0,0,0,0|3,0,1]=4 9 B12R0.138 CC(C)N[C@@H](CCC(=O)N)C(=O)N 34a_200000143477_100000210206 [0,0,0,0,0,0|3,0,1]=4 10 B12R0.138 CC(C)N[C@@H](CCS(=O)C)C(=O)O 269956a_100015235763_100000210206 [0,0,0,0,0,0|3,0,1]=4 11 B12R0.138 CS(=O)C[C@H](NCC(=O)N)C(=O)O 269956a_100009817418_100000187820 [0,0,0,0,0,0|4,0,0]=4 12 B12R0.138 CS(=O)C[C@H](NCC(=O)[O-])C(=O)O 269956a_100009817418_100020667443 [0,0,0,0,0,0|3,0,1]=4 13 B11R0.146 CCN[C@@H](CCC(=O)N)C(=O)N 2230a_200000143477_100000210202 [1,0,0,0,0,0|2,0,1]=4 14 B11R0.146 CCN[C@@H](CCC(=O)N)C(=O)N 34a_200000143477_100000210202 [1,0,0,0,0,0|2,0,1]=4 15 B11R0.146 CCN[C@@H](CCS(=O)C)C(=O)O 269956a_100015235763_100000210202 [1,0,0,0,0,0|2,0,1]=4 16 B11R0.160 CCCCC(NC(=O)C)C(=O)C 1458a_100000194794_200000210301 [1,0,0,0,0,0|2,0,1]=4 17 B11R0.160 CCCCC(NC(=O)C)C(=O)[13CH3] 1458a_100000194794_200025704644 [1,0,0,0,0,0|2,0,1]=4 18 B11R0.160 CCCC[C@H](NC(=O)C)C(=O)N 11a_100000124899_100015343762 [1,0,0,0,0,0|2,0,1]=4 19 B11R0.160 CCCC[C@H](NC(=O)C)C(=O)N 1626a_100000124899_100015343762 [1,0,0,0,0,0|2,0,1]=4 20 B11R0.160 CCCC[C@H](NC(=O)C)C(=O)N 240690a_100000124899_100015343762 [1,0,0,0,0,0|2,0,1]=4 21 B11R0.160 CCCC[C@H](NC(=O)C)C(=O)N 527a_100000124899_100103153847 [1,0,0,0,0,0|2,0,1]=4 22 B11R0.160 CS(=O)C[C@H](NCC=O)C(=O)O 269956a_100009817418_200015260668 [1,0,0,0,0,0|3,0,0]=4 23 B11R0.160 CSCC[C@@H](NC(=O)C)C(=O)C 1458a_100011933958_200000210301 [1,0,0,0,0,0|3,0,0]=4 24 B11R0.160 CSCC[C@@H](NC(=O)C)C(=O)[13CH3] 1458a_100011933958_200025704644 [1,0,0,0,0,0|3,0,0]=4 25 B11R0.160 CSCC[C@H](NC(=O)C)C(=O)N 11a_100000119342_100015343762 [1,0,0,0,0,0|3,0,0]=4 26 B11R0.160 CSCC[C@H](NC(=O)C)C(=O)N 1626a_100000119342_100015343762 [1,0,0,0,0,0|3,0,0]=4 27 B11R0.160 CSCC[C@H](NC(=O)C)C(=O)N 240690a_100000119342_100015343762 [1,0,0,0,0,0|3,0,0]=4 28 B11R0.160 CSCC[C@H](NC(=O)C)C(=O)N 527a_100000119342_100103153847 [1,0,0,0,0,0|3,0,0]=4 29 B13R0.253 CC(=O)N[C@@H](CCS(=O)C)C(=O)CF 1458a_200020641884_100015361967 [0,1,0,0,0,0|3,0,0]=4 30 B13R0.253 CC(=O)N[C@@H](CSC(=O)C)C(=O)CF 1458a_200015188492_100015361967 [0,1,0,0,0,0|3,0,0]=4 31 B13R0.253 CCC(=O)[C@H](CCS(=O)C)NC(=O)C 1458a_200020641884_100000210202 [0,1,0,0,0,0|3,0,0]=4 32 B13R0.253 CCC(=O)[C@H](CSC(=O)C)NC(=O)C 1458a_200015188492_100000210202 [0,1,0,0,0,0|3,0,0]=4 33 B13R0.253 CNC(=O)[C@H](CCC(=O)N)NC(=O)C 11a_106832991635_100011416726 [0,1,0,0,0,0|2,0,0]=3 34 B13R0.253 CNC(=O)[C@H](CCC(=O)N)NC(=O)C 1626a_100102657272_100011416726 [0,1,0,0,0,0|2,0,0]=3 35 B13R0.253 CNC(=O)[C@H](CCS(=O)C)NC(=O)C 1626a_100102657272_200020641884 [0,1,0,0,0,0|3,0,0]=4 36 B13R0.253 CNC(=O)[C@H](CCS(=O)C)NC(=O)C 240690a_100102657272_200020641884 [0,1,0,0,0,0|3,0,0]=4 37 B13R0.253 CNC(=O)[C@H](CCS(=O)C)NC(=O)C 527a_100102657272_200020641884 [0,1,0,0,0,0|3,0,0]=4 38 B13R0.253 CNC(=O)[C@H](CSC(=O)C)NC(=O)C 1626a_100102657272_200015188492 [0,1,0,0,0,0|3,0,0]=4 39 B13R0.253 CNC(=O)[C@H](CSC(=O)C)NC(=O)C 240690a_100102657272_200015188492 [0,1,0,0,0,0|3,0,0]=4 40 B13R0.253 COC(=O)[C@H](CCC(=O)C)NC(=O)C 1458a_200010776074_200000210301 [0,1,0,0,0,0|1,0,0]=2 41 B13R0.253 COC(=O)[C@H](CCC(=O)[13CH3])NC(=O)C 1458a_200010776074_200025704644 [0,1,0,0,0,0|1,0,0]=2 42 B13R0.256 C=CC(=O)N[C@@H](CCC(=O)N)C(=O)N 1626a_200000143477_100000185746 [0,1,0,0,0,0|2,0,1]=4 43 B13R0.256 C=CC(=O)N[C@@H](CCC(=O)N)C(=O)N 240690a_200000143477_200121576911 [0,1,0,0,0,0|2,0,1]=4 44 B13R0.256 CCC(=O)N[C@@H](CCC(=O)N)C(=O)N 11a_200000143477_100000210414 [0,1,0,0,0,0|2,0,0]=3 45 B13R0.256 CCC(=O)N[C@@H](CCC(=O)N)C(=O)N 1626a_200000143477_100000210414 [0,1,0,0,0,0|2,0,0]=3 46 B13R0.256 CCC(=O)N[C@@H](CCC(=O)N)C(=O)N 240690a_200000143477_100000210414 [0,1,0,0,0,0|2,0,0]=3 47 B13R0.256 CCC(=O)N[C@@H](CCC(=O)N)C(=O)N 527a_200000143477_100000210414 [0,1,0,0,0,0|2,0,0]=3 48 B13R0.256 CNC(=O)N[C@@H](CCC(=O)N)C(=O)N 273464a_100102657272_200000143477 [0,1,0,0,0,0|2,0,0]=3 49 B13R0.256 CNC(=O)N[C@@H](CCC(=O)N)C(=O)N 273464a_200000143477_100102657272 [0,1,0,0,0,0|2,0,0]=3 50 B13R0.256 CNC(=O)N[C@@H](CCC(=O)N)C(=O)N 512a_106832991638_200000143477 [0,1,0,0,0,0|2,0,0]=3 51 B13R0.256 CNC(=O)N[C@@H](CCC(=O)N)C(=O)N 512a_200000143477_100102657272 [0,1,0,0,0,0|2,0,0]=3 52 B13R0.256 NC(=O)CC[C@H](NC(=O)CO)C(=O)N 240690a_200000143477_100000210174 [0,1,0,0,0,0|2,0,0]=3 53 B13R0.256 NC(=O)CC[C@H](NC(=O)CO)C(=O)N 527a_200000143477_100000210174 [0,1,0,0,0,0|2,0,0]=3 54 B13R0.432 COC(=O)CN[C@@H](CS(=O)C)C(=O)O 269956a_100009817418_100000747449 [0,1,0,0,0,0|3,0,0]=4 55 B13R0.1418 CS(=O)(=O)N[C@@H](CCC(=O)N)C(=O)N 40a_200000143477_100000738038 [0,1,0,0,0,0|3,0,0]=4 56 B11R0.28 CC(=O)C(NCC(=O)O)C(=O)C 269956a_100016091260_100000210371 [0,0,0,0,1,0|2,0,0]=3 57 B11R0.28 CC(=O)C(SCC(=O)N)C(=O)C 62a_100000210371_100000747473 [0,0,0,0,1,0|3,0,0]=4 58 B11R0.28 CC(=O)C(SCC(=O)N)C(=O)C 62a_100000747473_100000210371 [0,0,0,0,1,0|3,0,0]=4 59 B11R0.28 CC(=O)C(SCC(=O)[O-])C(=O)C 62a_100000210371_100020667443 [0,0,0,0,1,0|2,0,1]=4 60 B11R0.28 CC(=O)C(SCC(=O)[O-])C(=O)C 62a_100020667443_100000210371 [0,0,0,0,1,0|2,0,1]=4 61 B11R0.32 CC(=O)NC(CC(=O)N)C(=O)C 1458a_200000195199_200000210301 [0,0,0,0,1,0|2,0,0]=3 62 B11R0.32 CC(=O)NC(CC(=O)N)C(=O)[13CH3] 1458a_200000195199_200025704644 [0,0,0,0,1,0|2,0,0]=3 63 B11R0.32 CC(=O)N[C@@H](CC(=O)N)C(=O)N 11a_100000143228_100015343762 [0,0,0,0,1,0|2,0,0]=3 64 B11R0.32 CC(=O)N[C@@H](CC(=O)N)C(=O)N 1626a_100000143228_100015343762 [0,0,0,0,1,0|2,0,0]=3 65 B11R0.32 CC(=O)N[C@@H](CC(=O)N)C(=O)N 240690a_100000143228_100015343762 [0,0,0,0,1,0|2,0,0]=3 66 B11R0.32 CC(=O)N[C@@H](CC(=O)N)C(=O)N 527a_100000143228_100103153847 [0,0,0,0,1,0|2,0,0]=3 67 B13R0.53 C=C(C)CN[C@@H](CCC(=O)N)C(=O)N 2230a_200000143477_100000748629 [0,0,0,0,0,1|3,0,0]=4 68 B13R0.53 C=C(C)CN[C@@H](CCC(=O)N)C(=O)N 34a_200000143477_100000748629 [0,0,0,0,0,1|3,0,0]=4 69 B13R0.53 C=C(C)CN[C@@H](CCS(=O)C)C(=O)O 269956a_100015235763_100000748629 [0,0,0,0,0,1|3,0,0]=4 70 B13R0.53 CS(=O)CC[C@H](NCC(=O)N)C(=O)O 269956a_100015235763_100000187820 [0,0,0,0,0,1|3,0,0]=4 71 B13R0.53 CS(=O)CC[C@H](NCC(=O)[O-])C(=O)O 269956a_100015235763_100020667443 [0,0,0,0,0,1|3,0,0]=4 72 B13R0.53 NC(=O)CC[C@H](NCC(=O)N)C(=O)N 2230a_200000143477_100000747473 [0,0,0,0,0,1|3,0,0]=4 73 B13R0.53 NC(=O)CC[C@H](NCC(=O)N)C(=O)N 34a_200000143477_100000187820 [0,0,0,0,0,1|3,0,0]=4 74 B13R0.53 NC(=O)CC[C@H](NCC(=O)[O-])C(=O)N 34a_200000143477_100020667443 [0,0,0,0,0,1|3,0,0]=4 75 B13R0.443 CC(=O)CCN[C@@H](CS(=O)C)C(=O)O 269956a_100009817418_100000053229 [0,0,0,0,0,1|3,0,0]=4 76 B13R0.443 CS(=O)C[C@H](NCCC(=O)N)C(=O)O 269956a_100009817418_100000744528 [0,0,0,0,0,1|3,0,0]=4 77 B10R0.84 CN[C@@H](CCC(=O)N)C(=O)N 2230a_200000143477_200000210301 [2,0,0,0,0,0|2,0,0]=4 78 B10R0.84 CN[C@@H](CCC(=O)N)C(=O)N 34a_200000143477_200000210301 [2,0,0,0,0,0|2,0,0]=4 79 B10R0.84 CN[C@@H](CCS(=O)C)C(=O)O 269956a_100015235763_200000210301 [2,0,0,0,0,0|2,0,0]=4 80 B10R0.84 CS(=O)CC[C@H](N[13CH3])C(=O)O 269956a_100015235763_200025704644 [2,0,0,0,0,0|2,0,0]=4 81 B10R0.84 [13CH3]N[C@@H](CCC(=O)N)C(=O)N 2230a_200000143477_200025704644 [2,0,0,0,0,0|2,0,0]=4 82 B10R0.84 [13CH3]N[C@@H](CCC(=O)N)C(=O)N 34a_200000143477_200025704644 [2,0,0,0,0,0|2,0,0]=4 83 B10R0.23 C=CCC(NC(=O)C)C(=O)C 1458a_100000741017_200000210301 [2,0,0,0,0,0|1,0,1]=4 84 B10R0.23 C=CCC(NC(=O)C)C(=O)[13CH3] 1458a_100000741017_200025704644 [2,0,0,0,0,0|1,0,1]=4 85 B10R0.23 CCC[C@H](NC(=O)C)C(=O)C 1458a_100011995990_200000210301 [2,0,0,0,0,0|1,0,1]=4 86 B10R0.23 CCC[C@H](NC(=O)C)C(=O)N 11a_100000729256_100015343762 [2,0,0,0,0,0|1,0,1]=4 87 B10R0.23 CCC[C@H](NC(=O)C)C(=O)N 1626a_100000729256_100015343762 [2,0,0,0,0,0|1,0,1]=4 88 B10R0.23 CCC[C@H](NC(=O)C)C(=O)N 240690a_100000729256_100015343762 [2,0,0,0,0,0|1,0,1]=4 89 B10R0.23 CCC[C@H](NC(=O)C)C(=O)N 527a_100000729256_100103153847 [2,0,0,0,0,0|1,0,1]=4 90 B10R0.23 CCC[C@H](NC(=O)C)C(=O)[13CH3] 1458a_100011995990_200025704644 [2,0,0,0,0,0|1,0,1]=4 91 B12R0.55 CS(=O)CC[C@H](NCC=O)C(=O)O 269956a_100015235763_200015260668 [1,1,0,0,0,0|2,0,0]=4 92 B12R0.55 NC(=O)CC[C@H](NCC=O)C(=O)N 2230a_200000143477_200015260668 [1,1,0,0,0,0|2,0,0]=4 93 B12R0.55 NC(=O)CC[C@H](NCC=O)C(=O)N 34a_200000143477_200009817547 [1,1,0,0,0,0|2,0,0]=4 94 B12R0.247 CCCCC(NC(=O)C)C(=O)OC 188690a_100000701681_100015343762 [1,1,0,0,0,0|1,0,1]=4 95 B12R0.247 COC(=O)[C@@H](CCSC)NC(=O)C 188690a_100020625969_100015343762 [1,1,0,0,0,0|2,0,0]=4 96 B12R0.146 COC(=O)CSC(C(=O)C)C(=O)C 62a_100000210371_100000747449 [0,1,0,0,1,0|2,0,0]=4 97 B12R0.146 COC(=O)CSC(C(=O)C)C(=O)C 62a_100000747449_100000210371 [0,1,0,0,1,0|2,0,0]=4 98 B12R0.339 CC(=O)C(N[C@@H](C)C(=O)O)C(=O)C 269956a_100000743915_100000210371 [0,1,0,0,1,0|2,0,0]=4 99 B12R0.693 CC(=O)C(C(=O)C)N(C)CC(=O)O 269956a_100000746989_100000210371 [0,1,0,0,1,0|2,0,0]=4 100 B12R0.180 C=C(C)CC(NC(=O)C)C(=O)OC 188690a_103436540025_100015343762 [0,1,0,0,1,0|2,0,0]=4 101 B12R0.180 CC(=O)NC(CC(=O)N)C(=O)CF 1458a_200000195199_100015361967 [0,1,0,0,1,0|2,0,0]=4 102 B12R0.180 CCC(=O)C(CC(=O)N)NC(=O)C 1458a_200000195199_100000210202 [0,1,0,0,1,0|2,0,0]=4 103 B12R0.180 CNC(=O)C(CC(=O)N)NC(=O)C 1626a_100102657272_200000195199 [0,1,0,0,1,0|2,0,0]=4 104 B12R0.180 CNC(=O)C(CC(=O)N)NC(=O)C 240690a_100102657272_200000195199 [0,1,0,0,1,0|2,0,0]=4 105 B14R0.255 CCC(=O)CN[C@@H](CCS(=O)C)C(=O)O 269956a_100015235763_100000747405 [0,1,0,0,0,1|2,0,0]=4 106 B14R0.255 CNC(=O)CN[C@@H](CCC(=O)N)C(=O)N 2230a_200000143477_100000183359 [0,1,0,0,0,1|2,0,0]=4 107 B14R0.255 CNC(=O)CN[C@@H](CCC(=O)N)C(=O)N 34a_200000143477_100000183359 [0,1,0,0,0,1|2,0,0]=4 108 B14R0.255 CNC(=O)CN[C@@H](CCS(=O)C)C(=O)O 269956a_100015235763_100000183359 [0,1,0,0,0,1|2,0,0]=4 109 B14R0.255 COC(=O)CN[C@@H](CCC(=O)N)C(=O)N 2230a_200000143477_100000747449 [0,1,0,0,0,1|2,0,0]=4 110 B14R0.255 COC(=O)CN[C@@H](CCC(=O)N)C(=O)N 34a_200000143477_100000747449 [0,1,0,0,0,1|2,0,0]=4 111 B14R0.255 COC(=O)CN[C@@H](CCS(=O)C)C(=O)O 269956a_100015235763_100000747449 [0,1,0,0,0,1|2,0,0]=4 112 B14R0.1418 CC(=O)C(C)N[C@@H](CCC(=O)N)C(=O)N 2230a_200000143477_100009814033 [0,1,0,0,0,1|2,0,0]=4 113 B14R0.1418 CC(=O)C(C)N[C@@H](CCS(=O)C)C(=O)O 269956a_100015235763_100009814033 [0,1,0,0,0,1|2,0,0]=4 114 B14R0.1624 C=C(C)CSCC(NC(=O)C)C(=O)OC 62a_100000748629_100000763271 [0,1,0,0,0,1|2,0,0]=4 115 B14R0.1624 C=C(C)CSCC(NC(=O)C)C(=O)OC 62a_100000763271_100000211660 [0,1,0,0,0,1|2,0,0]=4 116 B14R0.1624 C=C(F)CSCC(NC(=O)C)C(=O)OC 62a_100000042424_100000763271 [0,1,0,0,0,1|2,0,0]=4 117 B14R0.1624 C=C(F)CSCC(NC(=O)C)C(=O)OC 62a_100000763271_100000042424 [0,1,0,0,0,1|2,0,0]=4 118 B14R0.1624 COC(=O)C(CSCC(=O)N)NC(=O)C 62a_100000747473_100000763271 [0,1,0,0,0,1|1,0,0]=3 119 B14R0.1624 COC(=O)C(CSCC(=O)N)NC(=O)C 62a_100000763271_100000747473 [0,1,0,0,0,1|1,0,0]=3 120 B14R0.1624 COC(=O)C(CSCC(=O)[O-])NC(=O)C 62a_100000763271_100020667443 [0,1,0,0,0,1|0,0,1]=3 121 B14R0.1624 COC(=O)C(CSCC(=O)[O-])NC(=O)C 62a_100020667443_100000763271 [0,1,0,0,0,1|0,0,1]=3 122 B14R0.1624 COC(=O)C(CSCC(C)O)NC(=O)C 62a_100000763271_100011218427 [0,1,0,0,0,1|1,0,1]=4 123 B14R0.1624 COC(=O)C(CSCC(C)O)NC(=O)C 62a_100011218427_100000763271 [0,1,0,0,0,1|1,0,1]=4 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1458a_100000181417_200000210301 [1,0,0,1,0,0|2,0,0]=4 175 B12R1.861 [13CH3]C(=O)CCC1NC(=O)NC1=O 1458a_100000181417_200025704644 [1,0,0,1,0,0|2,0,0]=4 176 B12R1.895 CC(=O)COC1C(=O)COC1=O 34a_100000211253_100000032967 [0,0,0,1,1,0|2,0,0]=4 177 B12R1.895 NC(=O)CSC1C(=O)COC1=O 62a_100000747473_100000032967 [0,0,0,1,1,0|2,0,0]=4 178 B12R1.895 O=C(O)CNC1C(=O)CCC1=O 269956a_100016091260_100009820769 [0,0,0,1,1,0|2,0,0]=4 179 B12R1.895 O=C(O)CNC1C(=O)COC1=O 269956a_100016091260_100000032967 [0,0,0,1,1,0|1,0,0]=3 180 B12R1.895 O=C([O-])CSC1C(=O)COC1=O 62a_100020667443_100000032967 [0,0,0,1,1,0|1,0,1]=4 181 B14R1.1126 COC(=O)[C@@H]1CNC(=O)CN1C(=O)C 11a_200015373194_100015343762 [0,1,0,1,0,0|2,0,0]=4 182 B14R1.1126 COC(=O)[C@@H]1CNC(=O)CN1C(=O)C 1626a_200015373194_100015343762 [0,1,0,1,0,0|2,0,0]=4 183 B14R1.1126 COC(=O)[C@@H]1CNC(=O)CN1C(=O)C 240690a_200015373194_100015343762 [0,1,0,1,0,0|2,0,0]=4 184 B10R0.17 CC(=O)C(SCC=O)C(=O)C 62a_100000210371_200015260668 [1,0,0,0,1,0|2,0,0]=4 185 B10R0.17 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240690a_200025761755_100015343762 [0,0,0,0,0,2|2,0,0]=4 196 B14R0.2681 CC(=O)NCSC[C@H](NC(=O)C)C(=O)N 527a_200025761755_100103153847 [0,0,0,0,0,2|2,0,0]=4