0 B12R0.42 CC(=O)C(C)COCCNC(=O)N 7a_100000032740_200000034859 [0,0,0,0,0,0|4,0,0]=4 1 B12R0.42 CC(=O)CCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000735457 [0,0,0,0,0,0|4,0,0]=4 2 B12R0.42 CC(=O)CCCNCC(C)C(=O)O 269956a_100000749485_100011215641 [0,0,0,0,0,0|4,0,0]=4 3 B12R0.42 CC(=O)CCCNCC(F)C(=O)O 269956a_100000084737_100011215641 [0,0,0,0,0,0|4,0,0]=4 4 B12R0.42 CC(=O)CCCOC[C@H](N)C(=O)N 34a_100000729942_100000685027 [0,0,0,0,0,0|4,0,0]=4 5 B12R0.42 CC(=O)NCCCNC(C)C(=O)N 34a_100000736810_100000702099 [0,0,0,0,0,0|4,0,0]=4 6 B12R0.42 CC(=O)NCCCNC(F)C(=O)N 34a_100000736810_100009813875 [0,0,0,0,0,0|4,0,0]=4 7 B12R0.42 CC(=O)NCCCNC(F)C(=O)[O-] 34a_100000736810_100020610796 [0,0,0,0,0,0|3,0,1]=4 8 B12R0.42 CC(=O)NCCCOC(C)C(=O)N 34a_100000752032_100000702099 [0,0,0,0,0,0|4,0,0]=4 9 B12R0.42 CC(=O)NCCCOC(F)C(=O)N 34a_100000752032_100009813875 [0,0,0,0,0,0|4,0,0]=4 10 B12R0.42 CC(=O)NCCCOC(F)C(=O)[O-] 34a_100000752032_100020610796 [0,0,0,0,0,0|3,0,1]=4 11 B12R0.42 CC(=O)NCCNCC(C)C(=O)O 269956a_100000749485_100000189650 [0,0,0,0,0,0|3,0,0]=3 12 B12R0.42 CC(=O)NCCNCC(F)C(=O)O 269956a_100000084737_100000189650 [0,0,0,0,0,0|3,0,0]=3 13 B12R0.42 CC(=O)NCCOCC(C)C(=O)C 7a_100000032740_100000189650 [0,0,0,0,0,0|4,0,0]=4 14 B12R0.42 CC(=O)OCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000042594 [0,0,0,0,0,0|4,0,0]=4 15 B12R0.42 CC(=O)OCCNCC(C)C(=O)O 269956a_100000749485_100009814007 [0,0,0,0,0,0|4,0,0]=4 16 B12R0.42 CC(=O)OCCNCC(F)C(=O)O 269956a_100000084737_100009814007 [0,0,0,0,0,0|4,0,0]=4 17 B12R0.42 CC(=O)OCCOC[C@H](N)C(=O)N 34a_100000729942_100009814007 [0,0,0,0,0,0|4,0,0]=4 18 B12R0.42 CC(=O)SCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000038929 [0,0,0,0,0,0|4,0,0]=4 19 B12R0.42 CC(CNCCCC(=O)N)C(=O)O 269956a_100000749485_100102525003 [0,0,0,0,0,0|4,0,0]=4 20 B12R0.42 CC(CNCCNC(=O)N)C(=O)O 269956a_100000749485_200000034859 [0,0,0,0,0,0|3,0,0]=3 21 B12R0.42 NC(=O)CCCNCC(F)C(=O)O 269956a_100000084737_100102525003 [0,0,0,0,0,0|4,0,0]=4 22 B12R0.42 NC(=O)CCCOC[C@H](N)C(=O)N 34a_100000729942_100102525003 [0,0,0,0,0,0|4,0,0]=4 23 B12R0.42 NC(=O)NCCNCC(F)C(=O)O 269956a_100000084737_200000034859 [0,0,0,0,0,0|3,0,0]=3 24 B12R0.42 NC(=O)OCCOC[C@H](N)C(=O)N 34a_100000729942_200011214921 [0,0,0,0,0,0|4,0,0]=4 25 B11R0.30 CC(=O)CCCCCNC(=O)C 1458a_100000183861_200000210301 [1,0,0,0,0,0|2,0,0]=3 26 B11R0.30 CC(=O)CCCCCOC(=O)C 1458a_100000070787_100000033007 [1,0,0,0,0,0|3,0,0]=4 27 B11R0.30 CC(=O)CCCCNCC(=O)O 269956a_100016091260_100000735457 [1,0,0,0,0,0|3,0,0]=4 28 B11R0.30 CC(=O)CCOCCNC(=O)C 7a_100000759926_100000189650 [1,0,0,0,0,0|3,0,0]=4 29 B11R0.30 CC(=O)CCOCCNC(=O)N 7a_100000759926_200000034859 [1,0,0,0,0,0|3,0,0]=4 30 B11R0.30 CC(=O)CCSCCNC(=O)C 62a_100000053229_100000189650 [1,0,0,0,0,0|3,0,0]=4 31 B11R0.30 CC(=O)CCSCCNC(=O)C 62a_100000189650_100000053229 [1,0,0,0,0,0|3,0,0]=4 32 B11R0.30 CC(=O)CCSCCNC(=O)N 62a_100000053229_200000034859 [1,0,0,0,0,0|3,0,0]=4 33 B11R0.30 CC(=O)CCSCCNC(=O)N 62a_200000034859_100000053229 [1,0,0,0,0,0|3,0,0]=4 34 B11R0.30 CC(=O)NCCCCCC(=O)[13CH3] 1458a_100000183861_200025704644 [1,0,0,0,0,0|2,0,0]=3 35 B11R0.30 CC(=O)NCCCCNC(=O)C 11a_200011368371_100015343762 [1,0,0,0,0,0|3,0,0]=4 36 B11R0.30 CC(=O)NCCCCNC(=O)C 1626a_200011368371_100015343762 [1,0,0,0,0,0|3,0,0]=4 37 B11R0.30 CC(=O)NCCCCNC(=O)C 240690a_200011368371_100015343762 [1,0,0,0,0,0|3,0,0]=4 38 B11R0.30 CC(=O)NCCCCNC(=O)C 527a_200011368371_100103153847 [1,0,0,0,0,0|3,0,0]=4 39 B11R0.30 CC(=O)NCCCNCC(=O)N 34a_100000736810_100000187820 [1,0,0,0,0,0|3,0,0]=4 40 B11R0.30 CC(=O)NCCCNCC(=O)[O-] 34a_100000736810_100020667443 [1,0,0,0,0,0|2,0,1]=4 41 B11R0.30 CC(=O)NCCCOCC(=O)N 34a_100000752032_100000187820 [1,0,0,0,0,0|3,0,0]=4 42 B11R0.30 CC(=O)NCCCOCC(=O)[O-] 34a_100000752032_100020667443 [1,0,0,0,0,0|2,0,1]=4 43 B11R0.30 CC(=O)NCCNCCC(=O)N 2230a_100000209853_100000744528 [1,0,0,0,0,0|3,0,0]=4 44 B11R0.30 CC(=O)NCCNOCC(=O)O 269956a_100000106656_100000189650 [1,0,0,0,0,0|3,0,0]=4 45 B11R0.30 CC(=O)NCCOCCC(=O)N 34a_100000158858_100000731001 [1,0,0,0,0,0|3,0,0]=4 46 B11R0.30 CC(=O)NCCOCCC(=O)N 7a_100000757172_100000189650 [1,0,0,0,0,0|3,0,0]=4 47 B11R0.30 CC(=O)NCCSCCC(=O)N 62a_100000189650_100000744528 [1,0,0,0,0,0|3,0,0]=4 48 B11R0.30 CC(=O)NCCSCCC(=O)N 62a_100000744528_100000189650 [1,0,0,0,0,0|3,0,0]=4 49 B11R0.30 CC(=O)OCCCNCC(=O)O 269956a_100016091260_100000042594 [1,0,0,0,0,0|3,0,0]=4 50 B11R0.30 CC(=O)SCCCNCC(=O)O 269956a_100016091260_100000038929 [1,0,0,0,0,0|3,0,0]=4 51 B11R0.30 NC(=O)CCNCCNC(=O)N 34a_100020590234_100000731001 [1,0,0,0,0,0|3,0,0]=4 52 B11R0.30 NC(=O)CCOCCNC(=O)N 34a_100000181757_100000731001 [1,0,0,0,0,0|3,0,0]=4 53 B11R0.30 NC(=O)CCOCCNC(=O)N 7a_100000757172_200000034859 [1,0,0,0,0,0|3,0,0]=4 54 B11R0.30 NC(=O)CCSCCNC(=O)N 62a_100000744528_200000034859 [1,0,0,0,0,0|3,0,0]=4 55 B11R0.30 NC(=O)CCSCCNC(=O)N 62a_200000034859_100000744528 [1,0,0,0,0,0|3,0,0]=4 56 B11R0.30 NC(=O)NCCNOCC(=O)O 269956a_100000106656_200000034859 [1,0,0,0,0,0|3,0,0]=4 57 B11R0.42 CC(CNCCCC=O)C(=O)O 269956a_100000749485_200011292268 [1,0,0,0,0,0|3,0,0]=4 58 B11R0.42 C[C@H](NCCCCC=O)C(=O)O 269956a_100000743915_100000139335 [1,0,0,0,0,0|3,0,0]=4 59 B11R0.42 O=CCCCNCC(F)C(=O)O 269956a_100000084737_200011292268 [1,0,0,0,0,0|3,0,0]=4 60 B13R0.101 COC(=O)C(C)CNCCNC(=O)N 34a_100020590234_100000698445 [0,1,0,0,0,0|3,0,0]=4 61 B13R0.101 COC(=O)C(C)COCCNC(=O)C 34a_100000158858_100000698445 [0,1,0,0,0,0|3,0,0]=4 62 B13R0.101 COC(=O)C(C)COCCNC(=O)C 7a_100000749362_100000189650 [0,1,0,0,0,0|3,0,0]=4 63 B13R0.101 COC(=O)C(C)COCCNC(=O)N 34a_100000181757_100000698445 [0,1,0,0,0,0|3,0,0]=4 64 B13R0.101 COC(=O)C(C)COCCNC(=O)N 7a_100000749362_200000034859 [0,1,0,0,0,0|3,0,0]=4 65 B13R0.101 COC(=O)C(C)CSCCNC(=O)C 62a_100000189650_100000698445 [0,1,0,0,0,0|3,0,0]=4 66 B13R0.101 COC(=O)C(C)CSCCNC(=O)C 62a_100000698445_100000189650 [0,1,0,0,0,0|3,0,0]=4 67 B13R0.101 COC(=O)C(C)CSCCNC(=O)N 62a_100000698445_200000034859 [0,1,0,0,0,0|3,0,0]=4 68 B13R0.101 COC(=O)C(C)CSCCNC(=O)N 62a_200000034859_100000698445 [0,1,0,0,0,0|3,0,0]=4 69 B13R0.101 COC(=O)C(C)NCCCNC(=O)C 34a_100000736810_100000211248 [0,1,0,0,0,0|3,0,0]=4 70 B13R0.101 COC(=O)C(C)OCCCNC(=O)C 34a_100000752032_100000211248 [0,1,0,0,0,0|3,0,0]=4 71 B13R0.101 COC(=O)[C@H](N)COCCCC(=O)C 34a_100000003586_100000685027 [0,1,0,0,0,0|3,0,0]=4 72 B13R0.101 COC(=O)[C@H](N)COCCCC(=O)N 34a_100000003586_100102525003 [0,1,0,0,0,0|3,0,0]=4 73 B13R0.101 COC(=O)[C@H](N)COCCOC(=O)C 34a_100000003586_100009814007 [0,1,0,0,0,0|3,0,0]=4 74 B13R0.101 COC(=O)[C@H](N)COCCOC(=O)N 34a_100000003586_200011214921 [0,1,0,0,0,0|3,0,0]=4 75 B13R0.204 COC(=O)CCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000204269 [0,1,0,0,0,0|3,0,0]=4 76 B13R0.204 COC(=O)CCCNCC(C)C(=O)O 269956a_100000749485_100011218270 [0,1,0,0,0,0|3,0,0]=4 77 B13R0.204 COC(=O)CCCNCC(F)C(=O)O 269956a_100000084737_100011218270 [0,1,0,0,0,0|3,0,0]=4 78 B13R0.204 COC(=O)CCCOC[C@H](N)C(=O)N 34a_100000729942_100000742333 [0,1,0,0,0,0|3,0,0]=4 79 B13R0.1406 CC(=O)NCCNCC(C)(C)C(=O)O 269956a_100000693527_100000189650 [0,1,0,0,0,0|3,0,0]=4 80 B13R0.1406 CC(=O)NCCNCC(F)(F)C(=O)O 269956a_100000734215_100000189650 [0,1,0,0,0,0|3,0,0]=4 81 B13R0.1406 CC(C)(CNCCNC(=O)N)C(=O)O 269956a_100000693527_200000034859 [0,1,0,0,0,0|3,0,0]=4 82 B13R0.1406 NC(=O)NCCNCC(F)(F)C(=O)O 269956a_100000734215_200000034859 [0,1,0,0,0,0|3,0,0]=4 83 B13R1.587 CC(=O)NC1CCCC(C1)C(=O)N 11a_100000749473_100015343762 [0,0,0,1,0,0|3,0,0]=4 84 B13R1.587 CC(=O)NC1CCCC(C1)C(=O)N 1626a_100000749473_100015343762 [0,0,0,1,0,0|3,0,0]=4 85 B13R1.587 CC(=O)NC1CCCC(C1)C(=O)N 240690a_100000749473_100015343762 [0,0,0,1,0,0|3,0,0]=4 86 B13R1.587 CC(=O)NC1CCCC(C1)C(=O)N 527a_100000749473_100103153847 [0,0,0,1,0,0|3,0,0]=4 87 B13R1.3425 CC(=O)C(C)OCC1CNC(=O)O1 34a_100000212229_100000181169 [0,0,0,1,0,0|3,0,0]=4 88 B13R1.3425 CC(=O)C(C)SCC1CNC(=O)O1 62a_100000181169_100009814033 [0,0,0,1,0,0|3,0,0]=4 89 B13R1.3425 CC(=O)C(C)SCC1CNC(=O)O1 62a_100009814033_100000181169 [0,0,0,1,0,0|3,0,0]=4 90 B13R1.3425 CC(OCC1CNC(=O)O1)C(=O)N 34a_100011315639_100000702099 [0,0,0,1,0,0|3,0,0]=4 91 B13R1.3425 CC(SCC1CNC(=O)O1)C(=O)N 62a_100000181169_100000702099 [0,0,0,1,0,0|3,0,0]=4 92 B13R1.3425 CC(SCC1CNC(=O)O1)C(=O)N 62a_100000702099_100000181169 [0,0,0,1,0,0|3,0,0]=4 93 B13R1.3425 C[C@@H](NCC1CNC(=O)O1)C(=O)N 2230a_100000119354_100000181169 [0,0,0,1,0,0|3,0,0]=4 94 B13R1.3425 C[C@@H](NCC1CNC(=O)O1)C(=O)N 34a_100000119354_100000181169 [0,0,0,1,0,0|3,0,0]=4 95 B13R1.3425 C[C@@H](OCC1CNC(=O)O1)C(=O)N 34a_100000731257_100000181169 [0,0,0,1,0,0|3,0,0]=4 96 B13R1.3425 C[C@@H](OCC1CNC(=O)O1)C(=O)N 7a_100000731257_100000181169 [0,0,0,1,0,0|3,0,0]=4 97 B13R1.3425 C[C@H](NCC1CNC(=O)O1)C(=O)O 269956a_100000743915_100000181169 [0,0,0,1,0,0|2,0,0]=3 98 B13R1.3425 C[C@H](OCC1CNC(=O)O1)C(=O)[O-] 7a_217856618621_100000181169 [0,0,0,1,0,0|2,0,1]=4 99 B13R1.3425 NC(=O)C(F)OCC1CNC(=O)O1 34a_100011315639_100009813875 [0,0,0,1,0,0|3,0,0]=4 100 B13R1.3425 NC(=O)C(F)SCC1CNC(=O)O1 62a_100000181169_100009813875 [0,0,0,1,0,0|3,0,0]=4 101 B13R1.3425 NC(=O)C(F)SCC1CNC(=O)O1 62a_100009813875_100000181169 [0,0,0,1,0,0|3,0,0]=4 102 B13R1.3425 NC(=O)[C@@H](N)COC1COC(=O)O1 34a_100000729942_100000032252 [0,0,0,1,0,0|3,0,0]=4 103 B13R1.3425 O=C1NCC(O1)COC(F)C(=O)[O-] 34a_100011315639_100020610796 [0,0,0,1,0,0|2,0,1]=4 104 B13R1.3425 O=C1NCC(O1)CSC(F)C(=O)[O-] 62a_100000181169_100020610796 [0,0,0,1,0,0|2,0,1]=4 105 B13R1.3425 O=C1NCC(O1)CSC(F)C(=O)[O-] 62a_100020610796_100000181169 [0,0,0,1,0,0|2,0,1]=4 106 B11R0.29 CC(=O)CCCN[C@@H](C)C(=O)O 269956a_100000743915_100011215641 [0,0,0,0,1,0|3,0,0]=4 107 B11R0.29 CC(=O)CCNCC(C)C(=O)O 269956a_100000749485_100000053229 [0,0,0,0,1,0|3,0,0]=4 108 B11R0.29 CC(=O)CCNCC(F)C(=O)O 269956a_100000084737_100000053229 [0,0,0,0,1,0|3,0,0]=4 109 B11R0.29 CC(=O)NCCN[C@@H](C)C(=O)O 269956a_100000743915_100000189650 [0,0,0,0,1,0|3,0,0]=4 110 B11R0.29 CC(CNCCC(=O)N)C(=O)O 269956a_100000749485_100000744528 [0,0,0,0,1,0|3,0,0]=4 111 B11R0.29 C[C@H](NCCCC(=O)N)C(=O)O 269956a_100000743915_100102525003 [0,0,0,0,1,0|3,0,0]=4 112 B11R0.29 C[C@H](NCCNC(=O)N)C(=O)O 269956a_100000743915_200000034859 [0,0,0,0,1,0|3,0,0]=4 113 B11R0.29 NC(=O)CCNCC(F)C(=O)O 269956a_100000084737_100000744528 [0,0,0,0,1,0|3,0,0]=4 114 B11R0.29 NC(=O)CCOC[C@H](N)C(=O)N 34a_100000729942_100000731001 [0,0,0,0,1,0|3,0,0]=4 115 B13R0.178 CC(=O)NCCNCC(O)CC(=O)O 269956a_100011218706_100000189650 [0,0,0,0,0,1|3,0,0]=4 116 B13R0.180 CC(=O)CCCCNCC(C)C(=O)O 269956a_100000749485_100000735457 [0,0,0,0,0,1|3,0,0]=4 117 B13R0.180 CC(=O)CCCCNCC(F)C(=O)O 269956a_100000084737_100000735457 [0,0,0,0,0,1|3,0,0]=4 118 B13R0.180 CC(=O)CCCCOC[C@H](N)C(=O)N 34a_100000729942_100009817362 [0,0,0,0,0,1|3,0,0]=4 119 B13R0.180 CC(=O)NCCCCNC(C)C(=O)C 2230a_200011368371_100009814033 [0,0,0,0,0,1|3,0,0]=4 120 B13R0.180 CC(=O)NCCCCNC(C)C(=O)N 2230a_200011368371_100000702099 [0,0,0,0,0,1|3,0,0]=4 121 B13R0.180 CC(=O)NCCCCNC(C)C(=O)N 34a_200011368371_100000702099 [0,0,0,0,0,1|3,0,0]=4 122 B13R0.180 CC(=O)NCCCCNC(F)C(=O)N 2230a_200011368371_100009813875 [0,0,0,0,0,1|3,0,0]=4 123 B13R0.180 CC(=O)NCCCCNC(F)C(=O)N 34a_200011368371_100009813875 [0,0,0,0,0,1|3,0,0]=4 124 B13R0.180 CC(=O)NCCCCNC(F)C(=O)[O-] 34a_200011368371_100020610796 [0,0,0,0,0,1|2,0,1]=4 125 B13R0.180 CC(=O)OCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000033659 [0,0,0,0,0,1|3,0,0]=4 126 B13R0.180 CC(=O)OCCCNCC(C)C(=O)O 269956a_100000749485_100000042594 [0,0,0,0,0,1|3,0,0]=4 127 B13R0.180 CC(=O)OCCCNCC(F)C(=O)O 269956a_100000084737_100000042594 [0,0,0,0,0,1|3,0,0]=4 128 B13R0.180 CC(=O)OCCCOC[C@H](N)C(=O)N 34a_100000729942_100000042594 [0,0,0,0,0,1|3,0,0]=4 129 B13R0.180 CC(=O)SCCCCN[C@@H](C)C(=O)O 269956a_100000743915_200010402107 [0,0,0,0,0,1|3,0,0]=4 130 B13R0.180 CC(=O)SCCCNCC(C)C(=O)O 269956a_100000749485_100000038929 [0,0,0,0,0,1|3,0,0]=4 131 B13R0.180 CC(=O)SCCCNCC(F)C(=O)O 269956a_100000084737_100000038929 [0,0,0,0,0,1|3,0,0]=4 132 B13R0.180 CC(=O)SCCCOC[C@H](N)C(=O)N 34a_100000729942_100000038929 [0,0,0,0,0,1|3,0,0]=4 133 B13R0.180 C[C@H](NCCCCCC(=O)N)C(=O)O 269956a_100000743915_100009817443 [0,0,0,0,0,1|3,0,0]=4 134 B10R0.4 CC(=O)NCCCCCCO 240690a_100000686447_100015343762 [2,0,0,0,0,0|1,0,1]=4 135 B10R0.4 CC(=O)NCCCCCCO 527a_100000686447_100103153847 [2,0,0,0,0,0|1,0,1]=4 136 B10R0.4 CC(=O)NCCCNCC=O 34a_100000736810_200009817547 [2,0,0,0,0,0|2,0,0]=4 137 B10R0.4 CC(=O)NCCCOCC=O 34a_100000752032_200009817547 [2,0,0,0,0,0|2,0,0]=4 138 B10R0.4 O=CCCCCNCC(=O)O 269956a_100016091260_100000139335 [2,0,0,0,0,0|2,0,0]=4 139 B10R0.75 C[C@H](NCCCC=O)C(=O)O 269956a_100000743915_200011292268 [2,0,0,0,0,0|2,0,0]=4 140 B10R0.97 CC(=O)NCCCCC(=O)N 11a_100000696515_100015343762 [2,0,0,0,0,0|1,0,1]=4 141 B10R0.97 CC(=O)NCCCCC(=O)N 1626a_100000696515_100015343762 [2,0,0,0,0,0|1,0,1]=4 142 B10R0.97 CC(=O)NCCCCC(=O)N 240690a_100000696515_100015343762 [2,0,0,0,0,0|1,0,1]=4 143 B10R0.97 CC(=O)NCCCCC(=O)N 527a_100000696515_100103153847 [2,0,0,0,0,0|1,0,1]=4 144 B12R0.184 C=CC(=O)NCCCCCC(=O)C 1458a_100011222493_200000210301 [1,1,0,0,0,0|2,0,0]=4 145 B12R0.184 C=CC(=O)NCCCCCC(=O)[13CH3] 1458a_100011222493_200025704644 [1,1,0,0,0,0|2,0,0]=4 146 B12R0.184 CC(=O)NCCCCCC(=O)CF 1458a_100000183861_100015361967 [1,1,0,0,0,0|2,0,0]=4 147 B12R0.184 CC(=O)NCCCCNC(=O)CO 240690a_200011368371_100000210174 [1,1,0,0,0,0|2,0,0]=4 148 B12R0.184 CC(=O)NCCCCNC(=O)CO 527a_200011368371_100000210174 [1,1,0,0,0,0|2,0,0]=4 149 B12R0.184 CC(=O)OCCCCCC(=O)CO 1458a_100000210174_100000033007 [1,1,0,0,0,0|2,0,0]=4 150 B12R0.184 CCC(=O)CCCCCNC(=O)C 1458a_100000183861_100000210202 [1,1,0,0,0,0|2,0,0]=4 151 B12R0.184 CNC(=O)CCCCCNC(=O)C 11a_106832991635_100000183861 [1,1,0,0,0,0|2,0,0]=4 152 B12R0.184 CNC(=O)CCCCCNC(=O)C 1626a_100102657272_100000183861 [1,1,0,0,0,0|2,0,0]=4 153 B12R0.184 CNC(=O)CCCCCNC(=O)C 240690a_100102657272_100000183861 [1,1,0,0,0,0|2,0,0]=4 154 B12R0.184 COC(=O)CCCCCCC(=O)C 1458a_100000036694_200000210301 [1,1,0,0,0,0|2,0,0]=4 155 B12R0.184 COC(=O)CCCCCCC(=O)C 1458a_100000070787_100009815986 [1,1,0,0,0,0|2,0,0]=4 156 B12R0.184 COC(=O)CCCCCCC(=O)[13CH3] 1458a_100000036694_200025704644 [1,1,0,0,0,0|2,0,0]=4 157 B12R0.184 COC(=O)CCCCCNC(=O)C 188690a_100000184999_100015343762 [1,1,0,0,0,0|1,0,0]=3 158 B12R0.184 COC(=O)CCCCNCC(=O)O 269956a_100016091260_100000204269 [1,1,0,0,0,0|2,0,0]=4 159 B12R0.184 COC(=O)CCNCCNC(=O)C 2230a_100000209853_100000204255 [1,1,0,0,0,0|2,0,0]=4 160 B12R0.184 COC(=O)CCNCCNC(=O)N 34a_100020590234_100000742370 [1,1,0,0,0,0|2,0,0]=4 161 B12R0.184 COC(=O)CCOCCNC(=O)C 188690a_100102954618_100015343762 [1,1,0,0,0,0|2,0,0]=4 162 B12R0.184 COC(=O)CCOCCNC(=O)C 34a_100000158858_100000742370 [1,1,0,0,0,0|2,0,0]=4 163 B12R0.184 COC(=O)CCOCCNC(=O)N 34a_100000181757_100000742370 [1,1,0,0,0,0|2,0,0]=4 164 B12R0.184 COC(=O)CCSCCNC(=O)C 62a_100000189650_100000204255 [1,1,0,0,0,0|2,0,0]=4 165 B12R0.184 COC(=O)CCSCCNC(=O)C 62a_100000204255_100000189650 [1,1,0,0,0,0|2,0,0]=4 166 B12R0.184 COC(=O)CCSCCNC(=O)N 62a_100000204255_200000034859 [1,1,0,0,0,0|2,0,0]=4 167 B12R0.184 COC(=O)CCSCCNC(=O)N 62a_200000034859_100000204255 [1,1,0,0,0,0|2,0,0]=4 168 B12R0.184 COC(=O)CNCCCNC(=O)C 34a_100000736810_100000747449 [1,1,0,0,0,0|2,0,0]=4 169 B12R0.184 COC(=O)COCCCNC(=O)C 34a_100000752032_100000747449 [1,1,0,0,0,0|2,0,0]=4 170 B12R0.184 COC(=O)NCCOCCC(=O)N 34a_100000757965_100000731001 [1,1,0,0,0,0|2,0,0]=4 171 B12R0.251 CC(CNCCCCC=O)C(=O)O 269956a_100000749485_100000139335 [1,1,0,0,0,0|2,0,0]=4 172 B12R0.251 C[C@H](NCCCCCC=O)C(=O)O 269956a_100000743915_100000139337 [1,1,0,0,0,0|2,0,0]=4 173 B12R0.251 O=CCCCCNCC(F)C(=O)O 269956a_100000084737_100000139335 [1,1,0,0,0,0|2,0,0]=4 174 B14R0.131 COC(=O)C(C)CCNCCNC(=O)C 2230a_100000209853_100000034942 [0,1,0,0,0,1|2,0,0]=4 175 B14R0.131 COC(=O)C(C)CCNCCNC(=O)N 34a_100020590234_100000034942 [0,1,0,0,0,1|2,0,0]=4 176 B14R0.131 COC(=O)C(C)CCOCCNC(=O)C 34a_100000158858_100000034942 [0,1,0,0,0,1|2,0,0]=4 177 B14R0.131 COC(=O)C(C)CCOCCNC(=O)N 34a_100000181757_100000034942 [0,1,0,0,0,1|2,0,0]=4 178 B14R0.131 COC(=O)C(C)CCSCCNC(=O)C 62a_100000034942_100000189650 [0,1,0,0,0,1|2,0,0]=4 179 B14R0.131 COC(=O)C(C)CCSCCNC(=O)C 62a_100000189650_100000034942 [0,1,0,0,0,1|2,0,0]=4 180 B14R0.131 COC(=O)C(C)CCSCCNC(=O)N 62a_100000034942_200000034859 [0,1,0,0,0,1|2,0,0]=4 181 B14R0.131 COC(=O)C(C)CCSCCNC(=O)N 62a_200000034859_100000034942 [0,1,0,0,0,1|2,0,0]=4 182 B14R0.131 COC(=O)C(C)CNCCCNC(=O)C 34a_100000736810_100000698445 [0,1,0,0,0,1|2,0,0]=4 183 B14R0.131 COC(=O)C(C)COCCCNC(=O)C 34a_100000752032_100000698445 [0,1,0,0,0,1|2,0,0]=4 184 B14R0.131 COC(=O)C(C)NCCCCNC(=O)C 2230a_200011368371_100000211248 [0,1,0,0,0,1|2,0,0]=4 185 B14R0.131 COC(=O)C(C)NCCCCNC(=O)C 34a_200011368371_100000211248 [0,1,0,0,0,1|2,0,0]=4 186 B14R0.131 COC(=O)[C@H](N)COCCCCC(=O)C 34a_100000003586_100009817362 [0,1,0,0,0,1|2,0,0]=4 187 B14R0.131 COC(=O)[C@H](N)COCCCOC(=O)C 34a_100000003586_100000042594 [0,1,0,0,0,1|2,0,0]=4 188 B14R0.131 COC(=O)[C@H](N)COCCCSC(=O)C 34a_100000003586_100000038929 [0,1,0,0,0,1|2,0,0]=4 189 B14R0.534 COC(=O)CCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100009816466 [0,1,0,0,0,1|2,0,0]=4 190 B14R0.534 COC(=O)CCCCNCC(C)C(=O)O 269956a_100000749485_100000204269 [0,1,0,0,0,1|2,0,0]=4 191 B14R0.534 COC(=O)CCCCNCC(F)C(=O)O 269956a_100000084737_100000204269 [0,1,0,0,0,1|2,0,0]=4 192 B14R0.534 COC(=O)CCCCOC[C@H](N)C(=O)N 34a_100000729942_100000204269 [0,1,0,0,0,1|2,0,0]=4 193 B14R0.249 COC(=O)CCCOC[C@@H](N)C(=O)OC 34a_100000003586_100000742333 [0,2,0,0,0,0|2,0,0]=4 194 B14R0.249 COC(=O)NCCOCC(C)C(=O)OC 34a_100000757965_100000698445 [0,2,0,0,0,0|2,0,0]=4 195 B14R0.35 CCOC(=O)NCCNCC(C)C(=O)O 269956a_100000749485_200011445536 [0,2,0,0,0,0|2,0,0]=4 196 B14R0.35 CCOC(=O)NCCNCC(F)C(=O)O 269956a_100000084737_200011445536 [0,2,0,0,0,0|2,0,0]=4 197 B12R1.105 CC(=O)COCC1CNC(=O)O1 34a_100000211253_100000181169 [1,0,0,1,0,0|2,0,0]=4 198 B12R1.105 NC(=O)CNCC1CNC(=O)O1 2230a_100000711301_100000181169 [1,0,0,1,0,0|2,0,0]=4 199 B12R1.105 NC(=O)COCC1CNC(=O)O1 34a_100011315639_100000187820 [1,0,0,1,0,0|2,0,0]=4 200 B12R1.105 NC(=O)CSCC1CNC(=O)O1 62a_100000181169_100000747473 [1,0,0,1,0,0|2,0,0]=4 201 B12R1.105 NC(=O)CSCC1CNC(=O)O1 62a_100000747473_100000181169 [1,0,0,1,0,0|2,0,0]=4 202 B12R1.105 O=C(O)CNCC1CNC(=O)O1 269956a_100016091260_100000181169 [1,0,0,1,0,0|1,0,0]=3 203 B12R1.105 O=C([O-])COCC1CNC(=O)O1 34a_100011315639_100020667443 [1,0,0,1,0,0|1,0,1]=4 204 B12R1.105 O=C([O-])CSCC1CNC(=O)O1 62a_100000181169_100020667443 [1,0,0,1,0,0|1,0,1]=4 205 B12R1.105 O=C([O-])CSCC1CNC(=O)O1 62a_100020667443_100000181169 [1,0,0,1,0,0|1,0,1]=4 206 B12R1.261 CC(=O)C1CCCCN1C(=O)C 1458a_100000195068_200000210301 [1,0,0,1,0,0|2,0,0]=4 207 B12R1.261 CC(=O)N1CCCCC1C(=O)N 1626a_100000181395_100015343762 [1,0,0,1,0,0|2,0,0]=4 208 B12R1.261 CC(=O)N1CCCCC1C(=O)N 527a_100000181395_100103153847 [1,0,0,1,0,0|2,0,0]=4 209 B12R1.261 CC(=O)N1CCCCC1C(=O)[13CH3] 1458a_100000195068_200025704644 [1,0,0,1,0,0|2,0,0]=4 210 B14R1.130 CC(=O)C(C)COCC1CNC(=O)O1 34a_100000032740_100000181169 [0,0,0,1,0,1|2,0,0]=4 211 B14R1.130 CC(=O)C(C)COCC1CNC(=O)O1 7a_100000032740_100000181169 [0,0,0,1,0,1|2,0,0]=4 212 B14R1.130 CC(CNCC1CNC(=O)O1)C(=O)O 269956a_100000749485_100000181169 [0,0,0,1,0,1|1,0,0]=3 213 B14R1.130 NC(=O)[C@@H](N)COCC1CNC(=O)O1 34a_100000729942_100000181169 [0,0,0,1,0,1|1,0,0]=3 214 B14R1.130 NC(=O)[C@@H](N)COCC1COC(=O)O1 34a_100000729942_100000073702 [0,0,0,1,0,1|2,0,0]=4 215 B14R1.130 O=C1NCC(O1)CNCC(F)C(=O)O 269956a_100000084737_100000181169 [0,0,0,1,0,1|1,0,0]=3 216 B14R1.1499 CC1(CCCCN1CC(=O)N)C(=O)O 269956a_100000698061_100000187820 [0,0,0,1,0,1|2,0,0]=4 217 B14R1.1499 CC1(CCCCN1CC(=O)[O-])C(=O)O 269956a_100000698061_100020667443 [0,0,0,1,0,1|1,0,1]=4 218 B14R1.6346 CC(=O)NCCN[C@H]1C[C@H](C1)C(=O)O 269956a_100000738708_100000189650 [0,0,0,1,0,1|2,0,0]=4 219 B14R1.6346 NC(=O)NCCN[C@H]1C[C@H](C1)C(=O)O 269956a_100000738708_200000034859 [0,0,0,1,0,1|2,0,0]=4 220 B14R1.6355 NC(=O)CNC1CCCC(C1)C(=O)O 269956a_100011216634_100000187820 [0,0,0,1,0,1|2,0,0]=4 221 B14R1.6355 O=C([O-])CNC1CCCC(C1)C(=O)O 269956a_100011216634_100020667443 [0,0,0,1,0,1|1,0,1]=4 222 B14R1.4259 CC(C(=O)O)N(C)CC1CNC(=O)O1 269956a_100000749554_100000181169 [0,1,0,1,0,0|2,0,0]=4 223 B14R1.733 COC(=O)C1CCCC(C1)NC(=O)C 188690a_100011800472_100015343762 [0,1,0,1,0,0|2,0,0]=4 224 B14R1.755 COC(=O)C(C)OCC1CNC(=O)O1 34a_100011215400_100000181169 [0,1,0,1,0,0|2,0,0]=4 225 B14R1.755 COC(=O)C(C)OCC1CNC(=O)O1 34a_100011315639_100000211248 [0,1,0,1,0,0|2,0,0]=4 226 B14R1.755 COC(=O)C(C)SCC1CNC(=O)O1 62a_100000181169_100000211248 [0,1,0,1,0,0|2,0,0]=4 227 B14R1.755 COC(=O)C(C)SCC1CNC(=O)O1 62a_100000211248_100000181169 [0,1,0,1,0,0|2,0,0]=4 228 B14R1.755 COC(=O)[C@H](N)COC1COC(=O)O1 34a_100000003586_100000032252 [0,1,0,1,0,0|2,0,0]=4 229 B14R1.1184 COC(=O)C1(CCCCN1C(=O)C)C 11a_100015186357_100015343762 [0,1,0,1,0,0|2,0,0]=4 230 B14R1.1184 COC(=O)C1(CCCCN1C(=O)C)C 240690a_100015186357_100015343762 [0,1,0,1,0,0|2,0,0]=4 231 B14R1.3301 NC(=O)C1CCCC(C1)NC(=O)CO 240690a_100000749473_100000210174 [0,1,0,1,0,0|2,0,0]=4 232 B14R1.3301 NC(=O)C1CCCC(C1)NC(=O)CO 527a_100000749473_100000210174 [0,1,0,1,0,0|2,0,0]=4 233 B14R1.6954 C=C[C@H](NCC1CNC(=O)O1)C(=O)O 269956a_100016992060_100000181169 [0,1,0,1,0,0|2,0,0]=4 234 B14R1.6954 CC[C@@H](NCC1CNC(=O)O1)C(=O)O 269956a_100000747097_100000181169 [0,1,0,1,0,0|2,0,0]=4 235 B14R1.6954 O=C1NCC(O1)CNC(CO)C(=O)O 269956a_100000187304_100000181169 [0,1,0,1,0,0|2,0,0]=4 236 B12R0.268 CC(=O)CCCNCCNC(=O)N 34a_100020590234_100000685027 [1,0,0,0,0,1|2,0,0]=4 237 B12R0.268 CC(=O)CCCOCCNC(=O)C 34a_100000158858_100000685027 [1,0,0,0,0,1|2,0,0]=4 238 B12R0.268 CC(=O)CCCOCCNC(=O)C 7a_100000759063_100000189650 [1,0,0,0,0,1|2,0,0]=4 239 B12R0.268 CC(=O)CCCOCCNC(=O)N 34a_100000181757_100000685027 [1,0,0,0,0,1|2,0,0]=4 240 B12R0.268 CC(=O)CCCOCCNC(=O)N 7a_100000759063_200000034859 [1,0,0,0,0,1|2,0,0]=4 241 B12R0.268 CC(=O)CCCSCCNC(=O)C 62a_100000189650_100011215641 [1,0,0,0,0,1|2,0,0]=4 242 B12R0.268 CC(=O)CCCSCCNC(=O)C 62a_100011215641_100000189650 [1,0,0,0,0,1|2,0,0]=4 243 B12R0.268 CC(=O)CCCSCCNC(=O)N 62a_100011215641_200000034859 [1,0,0,0,0,1|2,0,0]=4 244 B12R0.268 CC(=O)CCCSCCNC(=O)N 62a_200000034859_100011215641 [1,0,0,0,0,1|2,0,0]=4 245 B12R0.268 CC(=O)NCCCCCNC(=O)C 1626a_200012022750_100015343762 [1,0,0,0,0,1|2,0,0]=4 246 B12R0.268 CC(=O)NCCCCCNC(=O)C 240690a_200012022750_100015343762 [1,0,0,0,0,1|2,0,0]=4 247 B12R0.268 CC(=O)NCCCCCNC(=O)C 527a_200012022750_100103153847 [1,0,0,0,0,1|2,0,0]=4 248 B12R0.268 CC(=O)NCCCCNCC(=O)N 2230a_200011368371_100000747473 [1,0,0,0,0,1|2,0,0]=4 249 B12R0.268 CC(=O)NCCCCNCC(=O)N 34a_200011368371_100000187820 [1,0,0,0,0,1|2,0,0]=4 250 B12R0.268 CC(=O)NCCCCNCC(=O)[O-] 34a_200011368371_100020667443 [1,0,0,0,0,1|1,0,1]=4 251 B12R0.268 CC(=O)NCCCNCCC(=O)N 34a_100000736810_100000731001 [1,0,0,0,0,1|2,0,0]=4 252 B12R0.268 CC(=O)NCCCOCCC(=O)N 34a_100000752032_100000731001 [1,0,0,0,0,1|2,0,0]=4 253 B12R0.268 CC(=O)NCCOCCCC(=O)N 34a_100000158858_100102525003 [1,0,0,0,0,1|2,0,0]=4 254 B12R0.268 CC(=O)NCCSCCCC(=O)N 62a_100000189650_100102525003 [1,0,0,0,0,1|2,0,0]=4 255 B12R0.268 CC(=O)NCCSCCCC(=O)N 62a_100102525003_100000189650 [1,0,0,0,0,1|2,0,0]=4 256 B12R0.268 CC(=O)OCCCCNCC(=O)O 269956a_100016091260_100000033659 [1,0,0,0,0,1|2,0,0]=4 257 B12R0.268 CC(=O)SCCCCNCC(=O)O 269956a_100016091260_200010402107 [1,0,0,0,0,1|2,0,0]=4 258 B12R0.268 NC(=O)CCCCCNCC(=O)N 2230a_100000711301_100009817443 [1,0,0,0,0,1|2,0,0]=4 259 B12R0.268 NC(=O)CCCCCNCC(=O)O 269956a_100016091260_100009817443 [1,0,0,0,0,1|1,0,0]=3 260 B12R0.268 NC(=O)CCCNCCNC(=O)N 34a_100020590234_100102525003 [1,0,0,0,0,1|2,0,0]=4 261 B12R0.268 NC(=O)CCCOCCNC(=O)N 34a_100000181757_100102525003 [1,0,0,0,0,1|2,0,0]=4 262 B12R0.268 NC(=O)CCCSCCNC(=O)N 62a_100102525003_200000034859 [1,0,0,0,0,1|2,0,0]=4 263 B12R0.268 NC(=O)CCCSCCNC(=O)N 62a_200000034859_100102525003 [1,0,0,0,0,1|2,0,0]=4 264 B12R0.268 O=C(O)CNCCCCCB(O)O 269956a_100016091260_200009817188 [1,0,0,0,0,1|1,0,1]=4