0 B9R0.47 C#CCCN[C@@H](C)C(=O)O 269956a_100000743915_100000688953 [0,0,0,0,0,0|3,0,1]=4 1 B9R0.47 C#CCNCC(C)C(=O)O 269956a_100000749485_100000184674 [0,0,0,0,0,0|3,0,1]=4 2 B9R0.47 C#CCNCC(F)C(=O)O 269956a_100000084737_100000184674 [0,0,0,0,0,0|3,0,1]=4 3 B9R0.47 C#CCOC[C@H](N)C(=O)N 34a_100000729942_100000184674 [0,0,0,0,0,0|3,0,1]=4 4 B9R0.47 C/C=C/CN[C@@H](C)C(=O)O 269956a_100000743915_100102629194 [0,0,0,0,0,0|3,0,1]=4 5 B9R0.47 C=CCCNC(C)C(=O)C 2230a_100015191253_100009814033 [0,0,0,0,0,0|4,0,0]=4 6 B9R0.47 C=CCCNC(C)C(=O)N 2230a_100015191253_100000702099 [0,0,0,0,0,0|4,0,0]=4 7 B9R0.47 C=CCCNC(F)C(=O)N 2230a_100015191253_100009813875 [0,0,0,0,0,0|4,0,0]=4 8 B9R0.47 C=CCCN[C@@H](C)C(=O)O 269956a_100000743915_100000754431 [0,0,0,0,0,0|3,0,0]=3 9 B9R0.47 C=CCCN[C@H](C)C(=O)N 2230a_100000119354_100000754431 [0,0,0,0,0,0|4,0,0]=4 10 B9R0.47 C=CCCN[C@H](C)C(=O)N 34a_100000119354_100000754431 [0,0,0,0,0,0|4,0,0]=4 11 B9R0.47 C=CCCOC(C)C(=O)C 34a_100000212229_100000754431 [0,0,0,0,0,0|4,0,0]=4 12 B9R0.47 C=CCCOC(C)C(=O)N 34a_100011205117_100000702099 [0,0,0,0,0,0|4,0,0]=4 13 B9R0.47 C=CCCOC(F)C(=O)N 34a_100011205117_100009813875 [0,0,0,0,0,0|4,0,0]=4 14 B9R0.47 C=CCCOC(F)C(=O)[O-] 34a_100011205117_100020610796 [0,0,0,0,0,0|3,0,1]=4 15 B9R0.47 C=CCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000754431 [0,0,0,0,0,0|3,0,1]=4 16 B9R0.47 C=CCCO[C@H](C)C(=O)N 34a_100000731257_100000754431 [0,0,0,0,0,0|4,0,0]=4 17 B9R0.47 C=CCCO[C@H](C)C(=O)N 7a_100000731257_100000754431 [0,0,0,0,0,0|4,0,0]=4 18 B9R0.47 C=CCCSC(C)C(=O)C 62a_100000754431_100009814033 [0,0,0,0,0,0|4,0,0]=4 19 B9R0.47 C=CCCSC(C)C(=O)C 62a_100009814033_100000754431 [0,0,0,0,0,0|4,0,0]=4 20 B9R0.47 C=CCCSC(C)C(=O)N 62a_100000702099_100000754431 [0,0,0,0,0,0|4,0,0]=4 21 B9R0.47 C=CCCSC(C)C(=O)N 62a_100000754431_100000702099 [0,0,0,0,0,0|4,0,0]=4 22 B9R0.47 C=CCCSC(F)C(=O)N 62a_100000754431_100009813875 [0,0,0,0,0,0|4,0,0]=4 23 B9R0.47 C=CCCSC(F)C(=O)N 62a_100009813875_100000754431 [0,0,0,0,0,0|4,0,0]=4 24 B9R0.47 C=CCCSC(F)C(=O)[O-] 62a_100000754431_100020610796 [0,0,0,0,0,0|3,0,1]=4 25 B9R0.47 C=CCCSC(F)C(=O)[O-] 62a_100020610796_100000754431 [0,0,0,0,0,0|3,0,1]=4 26 B9R0.47 C=CCNCC(C)C(=O)O 269956a_100000749485_100000210623 [0,0,0,0,0,0|3,0,0]=3 27 B9R0.47 C=CCNCC(F)C(=O)O 269956a_100000084737_100000210623 [0,0,0,0,0,0|3,0,0]=3 28 B9R0.47 C=CCOCC(C)C(=O)C 34a_100000032740_100015514636 [0,0,0,0,0,0|4,0,0]=4 29 B9R0.47 C=CCOCC(C)C(=O)C 7a_100000032740_100015514636 [0,0,0,0,0,0|4,0,0]=4 30 B9R0.47 C=CCOC[C@H](N)C(=O)N 34a_100000729942_100015514636 [0,0,0,0,0,0|3,0,0]=3 31 B9R0.47 CC(=O)C(=O)CSCC=O 62a_100011261029_200015260668 [0,0,0,0,0,0|3,0,1]=4 32 B9R0.47 CC(=O)C(=O)CSCC=O 62a_200015260668_100011261029 [0,0,0,0,0,0|3,0,1]=4 33 B9R0.47 CC(=O)C(C)COCC=O 34a_100000032740_200009817547 [0,0,0,0,0,0|3,0,0]=3 34 B9R0.47 CC(=O)C(C)COCC=O 7a_100000032740_200015260668 [0,0,0,0,0,0|3,0,0]=3 35 B9R0.47 CC(C)[C@@H](N)COCC=O 34a_100011830312_200009817547 [0,0,0,0,0,0|3,0,1]=4 36 B9R0.47 CC(CNCC#N)C(=O)O 269956a_100000749485_100011215382 [0,0,0,0,0,0|3,0,1]=4 37 B9R0.47 CC(CNCC=O)C(=O)O 269956a_100000749485_200015260668 [0,0,0,0,0,0|2,0,0]=2 38 B9R0.47 CC(CNCCF)C(=O)O 269956a_100000749485_100011217306 [0,0,0,0,0,0|3,0,1]=4 39 B9R0.47 CC(CNCCO)C(=O)O 269956a_100000749485_100000211926 [0,0,0,0,0,0|2,0,2]=4 40 B9R0.47 CC(COCC=O)[N+](=O)[O-] 34a_100000039676_200009817547 [0,0,0,0,0,0|3,0,1]=4 41 B9R0.47 CC(COCC=O)[N+](=O)[O-] 7a_100000039676_200015260668 [0,0,0,0,0,0|3,0,1]=4 42 B9R0.47 CCCCCC(C)C(=O)C 1458a_100000070787_200011218191 [0,0,0,0,0,0|3,0,1]=4 43 B9R0.47 CCCCCC(C)C(=O)C 1458a_100011215998_200000210301 [0,0,0,0,0,0|3,0,1]=4 44 B9R0.47 CCCCCC(C)C(=O)[13CH3] 1458a_100011215998_200025704644 [0,0,0,0,0,0|3,0,1]=4 45 B9R0.47 CCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210211 [0,0,0,0,0,0|3,0,1]=4 46 B9R0.47 CCCNCC(C)C(=O)O 269956a_100000749485_100000210207 [0,0,0,0,0,0|3,0,1]=4 47 B9R0.47 CCCNCC(F)C(=O)O 269956a_100000084737_100000210207 [0,0,0,0,0,0|3,0,1]=4 48 B9R0.47 CCCOC[C@H](N)C(=O)N 34a_100000729942_100000210303 [0,0,0,0,0,0|3,0,1]=4 49 B9R0.47 COCCN[C@@H](C)C(=O)O 269956a_100000743915_100000233755 [0,0,0,0,0,0|4,0,0]=4 50 B9R0.47 COCNCC(C)C(=O)O 269956a_100000749485_100000766300 [0,0,0,0,0,0|4,0,0]=4 51 B9R0.47 COCNCC(F)C(=O)O 269956a_100000084737_100000766300 [0,0,0,0,0,0|4,0,0]=4 52 B9R0.47 CSCCN[C@@H](C)C(=O)O 269956a_100000743915_100000212216 [0,0,0,0,0,0|4,0,0]=4 53 B9R0.47 CSCNCC(C)C(=O)O 269956a_100000749485_100011218213 [0,0,0,0,0,0|4,0,0]=4 54 B9R0.47 CSCNCC(F)C(=O)O 269956a_100000084737_100011218213 [0,0,0,0,0,0|4,0,0]=4 55 B9R0.47 CSCOC[C@H](N)C(=O)N 34a_100000729942_100011218213 [0,0,0,0,0,0|4,0,0]=4 56 B9R0.47 C[C@H](NCCC#N)C(=O)O 269956a_100000743915_100011215226 [0,0,0,0,0,0|3,0,1]=4 57 B9R0.47 C[C@H](NCCCF)C(=O)O 269956a_100000743915_100011934791 [0,0,0,0,0,0|3,0,1]=4 58 B9R0.47 C[C@H](NCCCO)C(=O)O 269956a_100000743915_100011215043 [0,0,0,0,0,0|2,0,2]=4 59 B9R0.47 N#CCNCC(F)C(=O)O 269956a_100000084737_100011215382 [0,0,0,0,0,0|3,0,1]=4 60 B9R0.47 NC(=O)[C@@H](N)COCC=O 34a_100000729942_200009817547 [0,0,0,0,0,0|2,0,0]=2 61 B9R0.47 NC(=O)[C@@H](N)COCCF 34a_100000729942_100011217306 [0,0,0,0,0,0|3,0,1]=4 62 B9R0.47 NC(=O)[C@@H](N)COCCO 34a_100000729942_100000211926 [0,0,0,0,0,0|2,0,2]=4 63 B9R0.47 O=C(O)C(F)CNCCF 269956a_100000084737_100011217306 [0,0,0,0,0,0|3,0,1]=4 64 B9R0.47 O=C(O)C(F)CNCCO 269956a_100000084737_100000211926 [0,0,0,0,0,0|2,0,2]=4 65 B9R0.47 O=CCNCC(F)C(=O)O 269956a_100000084737_200015260668 [0,0,0,0,0,0|2,0,0]=2 66 B8R0.6 C=CC(C)COCC=O 34a_100011215527_200009817547 [1,0,0,0,0,0|3,0,0]=4 67 B8R0.6 C=CC(C)COCC=O 7a_100011215527_200015260668 [1,0,0,0,0,0|3,0,0]=4 68 B8R0.6 C=CC(O)CSCC=O 62a_100000730141_200015260668 [1,0,0,0,0,0|3,0,0]=4 69 B8R0.6 C=CC(O)CSCC=O 62a_200015260668_100000730141 [1,0,0,0,0,0|3,0,0]=4 70 B8R0.6 C=CCOC[C@@H](N)C=C 34a_100016989147_100015514636 [1,0,0,0,0,0|3,0,0]=4 71 B8R0.6 C=C[C@H](N)COCC=O 34a_100016989147_200009817547 [1,0,0,0,0,0|2,0,0]=3 72 B8R0.6 CC(CO)CNCC=O 34a_100000744482_200009817547 [1,0,0,0,0,0|2,0,1]=4 73 B8R0.6 C[C@@H](CO)CSCC=O 62a_100000059175_200015260668 [1,0,0,0,0,0|2,0,1]=4 74 B8R0.6 C[C@@H](CO)CSCC=O 62a_200015260668_100000059175 [1,0,0,0,0,0|2,0,1]=4 75 B8R0.6 O=CCNC[C@@H](F)CO 34a_100015665980_200009817547 [1,0,0,0,0,0|2,0,1]=4 76 B8R0.6 O=CCNC[C@H](O)CO 2230a_100020644852_200015260668 [1,0,0,0,0,0|2,0,1]=4 77 B8R0.6 O=CCSCC(O)CO 62a_100011219619_200015260668 [1,0,0,0,0,0|2,0,1]=4 78 B8R0.6 O=CCSCC(O)CO 62a_200015260668_100011219619 [1,0,0,0,0,0|2,0,1]=4 79 B8R0.6 O=CCSC[C@@H](O)CO 62a_100009815848_200015260668 [1,0,0,0,0,0|2,0,1]=4 80 B8R0.6 O=CCSC[C@@H](O)CO 62a_200015260668_100009815848 [1,0,0,0,0,0|2,0,1]=4 81 B8R0.7 C#CCCCCC(=O)C 1458a_100000070787_100010269958 [1,0,0,0,0,0|2,0,1]=4 82 B8R0.7 C#CCCCCC(=O)C 1458a_100000696528_200000210301 [1,0,0,0,0,0|2,0,1]=4 83 B8R0.7 C#CCCCCC(=O)[13CH3] 1458a_100000696528_200025704644 [1,0,0,0,0,0|2,0,1]=4 84 B8R0.7 C#CCCNCC(=O)O 269956a_100016091260_100000688953 [1,0,0,0,0,0|2,0,1]=4 85 B8R0.7 C/C=C/CNCC(=O)O 269956a_100016091260_100102629194 [1,0,0,0,0,0|2,0,1]=4 86 B8R0.7 C=C(Br)CCOCC=O 34a_100009813270_200009817547 [1,0,0,0,0,0|3,0,0]=4 87 B8R0.7 C=C(C)CCOCC=O 34a_100000764851_200009817547 [1,0,0,0,0,0|3,0,0]=4 88 B8R0.7 C=C(C)CCSCC=O 62a_100000730704_200015260668 [1,0,0,0,0,0|3,0,0]=4 89 B8R0.7 C=C(C)CCSCC=O 62a_200015260668_100000730704 [1,0,0,0,0,0|3,0,0]=4 90 B8R0.7 C=CCCCCC(=O)C 1458a_100000070787_100011215482 [1,0,0,0,0,0|2,0,0]=3 91 B8R0.7 C=CCCCCC(=O)C 1458a_100011215552_200000210301 [1,0,0,0,0,0|2,0,0]=3 92 B8R0.7 C=CCCCCC(=O)[13CH3] 1458a_100011215552_200025704644 [1,0,0,0,0,0|2,0,0]=3 93 B8R0.7 C=CCCCNC(=O)C 11a_100000700776_100015343762 [1,0,0,0,0,0|3,0,0]=4 94 B8R0.7 C=CCCCNC(=O)C 1626a_100000700776_100015343762 [1,0,0,0,0,0|3,0,0]=4 95 B8R0.7 C=CCCCNC(=O)C 240690a_100000700776_100015343762 [1,0,0,0,0,0|3,0,0]=4 96 B8R0.7 C=CCCCNC(=O)C 527a_100000700776_100103153847 [1,0,0,0,0,0|3,0,0]=4 97 B8R0.7 C=CCCNCC(=O)N 2230a_100000711301_100000754431 [1,0,0,0,0,0|3,0,0]=4 98 B8R0.7 C=CCCNCC(=O)N 2230a_100015191253_100000747473 [1,0,0,0,0,0|3,0,0]=4 99 B8R0.7 C=CCCNCC(=O)O 269956a_100016091260_100000754431 [1,0,0,0,0,0|2,0,0]=3 100 B8R0.7 C=CCCOCC(=O)C 34a_100000211253_100000754431 [1,0,0,0,0,0|3,0,0]=4 101 B8R0.7 C=CCCOCC(=O)N 34a_100011205117_100000187820 [1,0,0,0,0,0|3,0,0]=4 102 B8R0.7 C=CCCOCC(=O)[O-] 34a_100011205117_100020667443 [1,0,0,0,0,0|2,0,1]=4 103 B8R0.7 C=CCCSCC(=O)N 62a_100000747473_100000754431 [1,0,0,0,0,0|3,0,0]=4 104 B8R0.7 C=CCCSCC(=O)N 62a_100000754431_100000747473 [1,0,0,0,0,0|3,0,0]=4 105 B8R0.7 C=CCCSCC(=O)[O-] 62a_100000754431_100020667443 [1,0,0,0,0,0|2,0,1]=4 106 B8R0.7 C=CCCSCC(=O)[O-] 62a_100020667443_100000754431 [1,0,0,0,0,0|2,0,1]=4 107 B8R0.7 C=CCNCCC(=O)N 2230a_100020586998_100000744528 [1,0,0,0,0,0|3,0,0]=4 108 B8R0.7 C=CCNOCC(=O)O 269956a_100000106656_100000210623 [1,0,0,0,0,0|3,0,0]=4 109 B8R0.7 C=CCOCCC(=O)C 1458a_200011217002_200000210301 [1,0,0,0,0,0|3,0,0]=4 110 B8R0.7 C=CCOCCC(=O)C 34a_100000759926_100015514636 [1,0,0,0,0,0|3,0,0]=4 111 B8R0.7 C=CCOCCC(=O)C 7a_100000759926_100015514636 [1,0,0,0,0,0|3,0,0]=4 112 B8R0.7 C=CCOCCC(=O)N 34a_100000757172_100015514636 [1,0,0,0,0,0|3,0,0]=4 113 B8R0.7 C=CCOCCC(=O)N 34a_200000210373_100000731001 [1,0,0,0,0,0|3,0,0]=4 114 B8R0.7 C=CCOCCC(=O)N 7a_100000757172_100015514636 [1,0,0,0,0,0|3,0,0]=4 115 B8R0.7 C=CCOCCC(=O)[13CH3] 1458a_200011217002_200025704644 [1,0,0,0,0,0|3,0,0]=4 116 B8R0.7 C=CCSCCC(=O)C 62a_100000053229_100000210623 [1,0,0,0,0,0|3,0,0]=4 117 B8R0.7 C=CCSCCC(=O)C 62a_100000210623_100000053229 [1,0,0,0,0,0|3,0,0]=4 118 B8R0.7 C=CCSCCC(=O)N 62a_100000210623_100000744528 [1,0,0,0,0,0|3,0,0]=4 119 B8R0.7 C=CCSCCC(=O)N 62a_100000744528_100000210623 [1,0,0,0,0,0|3,0,0]=4 120 B8R0.7 CC(=O)CCCCC#N 1458a_100000070787_100000211819 [1,0,0,0,0,0|2,0,1]=4 121 B8R0.7 CC(=O)CCCCCF 1458a_100000070787_100000729378 [1,0,0,0,0,0|2,0,1]=4 122 B8R0.7 CC(=O)CCCCCO 1458a_100000070787_100000746330 [1,0,0,0,0,0|1,0,2]=4 123 B8R0.7 CC(=O)CCCCCO 1458a_100102619762_200000210301 [1,0,0,0,0,0|1,0,2]=4 124 B8R0.7 CC(=O)CCCCS[13CH3] 62a_100000735457_200025704644 [1,0,0,0,0,0|3,0,0]=4 125 B8R0.7 CC(=O)CCCCS[13CH3] 62a_200025704644_100000735457 [1,0,0,0,0,0|3,0,0]=4 126 B8R0.7 CC(=O)CCOCC=O 34a_100000759926_200009817547 [1,0,0,0,0,0|2,0,0]=3 127 B8R0.7 CC(=O)CCOCC=O 7a_100000759926_200015260668 [1,0,0,0,0,0|2,0,0]=3 128 B8R0.7 CC(=O)CCSCC=O 62a_100000053229_200015260668 [1,0,0,0,0,0|2,0,0]=3 129 B8R0.7 CC(=O)CCSCC=O 62a_200015260668_100000053229 [1,0,0,0,0,0|2,0,0]=3 130 B8R0.7 CC(=O)OCSCC=O 62a_100000076356_200015260668 [1,0,0,0,0,0|3,0,0]=4 131 B8R0.7 CC(=O)OCSCC=O 62a_200015260668_100000076356 [1,0,0,0,0,0|3,0,0]=4 132 B8R0.7 CC(O)CCNCC=O 2230a_200000755665_200015260668 [1,0,0,0,0,0|2,0,1]=4 133 B8R0.7 CC(O)CCSCC=O 62a_100012276601_200015260668 [1,0,0,0,0,0|2,0,1]=4 134 B8R0.7 CC(O)CCSCC=O 62a_200015260668_100012276601 [1,0,0,0,0,0|2,0,1]=4 135 B8R0.7 CCCCCCC(=O)C 1458a_100000070787_100000210757 [1,0,0,0,0,0|2,0,1]=4 136 B8R0.7 CCCCCCC(=O)C 1458a_100102632555_200000210301 [1,0,0,0,0,0|2,0,1]=4 137 B8R0.7 CCCCCCC(=O)[13CH3] 1458a_100102632555_200025704644 [1,0,0,0,0,0|2,0,1]=4 138 B8R0.7 CCCCNCC(=O)O 269956a_100016091260_100000210211 [1,0,0,0,0,0|2,0,1]=4 139 B8R0.7 CN(C)CCCCC=O 2230a_100102631434_100000139335 [1,0,0,0,0,0|3,0,0]=4 140 B8R0.7 CN(C)CCCCC=O 269982a_100102631434_100000139335 [1,0,0,0,0,0|3,0,0]=4 141 B8R0.7 CNCCCCC(=O)C 34a_100102657272_100009817362 [1,0,0,0,0,0|3,0,0]=4 142 B8R0.7 CNCCCCC(=O)C 7a_106832991635_100000735457 [1,0,0,0,0,0|3,0,0]=4 143 B8R0.7 CNCCCCC(=O)N 34a_100000696515_200000210301 [1,0,0,0,0,0|3,0,0]=4 144 B8R0.7 CNCCOCC(=O)O 269956a_100000700818_200000210301 [1,0,0,0,0,0|3,0,0]=4 145 B8R0.7 COCCCCC(=O)C 1458a_100000070787_100000755781 [1,0,0,0,0,0|3,0,0]=4 146 B8R0.7 COCCCCC(=O)C 34a_100138415774_100009817362 [1,0,0,0,0,0|3,0,0]=4 147 B8R0.7 COCCCCC(=O)N 34a_100012022536_200000210301 [1,0,0,0,0,0|3,0,0]=4 148 B8R0.7 COCCCCC(=O)N 7a_100012022536_200000210301 [1,0,0,0,0,0|3,0,0]=4 149 B8R0.7 COCCNCC(=O)O 269956a_100016091260_100000233755 [1,0,0,0,0,0|3,0,0]=4 150 B8R0.7 CSCCCCC(=O)C 62a_100000735457_200000210301 [1,0,0,0,0,0|3,0,0]=4 151 B8R0.7 CSCCCCC(=O)C 62a_200000210301_100000735457 [1,0,0,0,0,0|3,0,0]=4 152 B8R0.7 CSCCNCC(=O)O 269956a_100016091260_100000212216 [1,0,0,0,0,0|3,0,0]=4 153 B8R0.7 N#CCCNCC(=O)O 269956a_100016091260_100011215226 [1,0,0,0,0,0|2,0,1]=4 154 B8R0.7 NC(=O)CCOCC=O 34a_100000757172_200009817547 [1,0,0,0,0,0|2,0,0]=3 155 B8R0.7 NC(=O)CCOCC=O 7a_100000757172_200015260668 [1,0,0,0,0,0|2,0,0]=3 156 B8R0.7 NC(=O)CCSCC=O 62a_100000744528_200015260668 [1,0,0,0,0,0|2,0,0]=3 157 B8R0.7 NC(=O)CCSCC=O 62a_200015260668_100000744528 [1,0,0,0,0,0|2,0,0]=3 158 B8R0.7 O=C(O)CNCCCF 269956a_100016091260_100011934791 [1,0,0,0,0,0|2,0,1]=4 159 B8R0.7 O=C(O)CNCCCO 269956a_100016091260_100011215043 [1,0,0,0,0,0|1,0,2]=4 160 B8R0.7 O=CCNOCC(=O)O 269956a_100000106656_200015260668 [1,0,0,0,0,0|2,0,0]=3 161 B8R0.7 [13CH3]C(=O)CCCCCO 1458a_100102619762_200025704644 [1,0,0,0,0,0|1,0,2]=4 162 B8R0.7 [13CH3]NCCCCC(=O)N 34a_100000696515_200025704644 [1,0,0,0,0,0|3,0,0]=4 163 B8R0.7 [13CH3]NCCOCC(=O)O 269956a_100000700818_200025704644 [1,0,0,0,0,0|3,0,0]=4 164 B8R0.7 [13CH3]OCCCCC(=O)N 34a_100012022536_200025704644 [1,0,0,0,0,0|3,0,0]=4 165 B8R0.7 [13CH3]OCCCCC(=O)N 7a_100012022536_200025704644 [1,0,0,0,0,0|3,0,0]=4 166 B8R0.8 C=CCN[C@@H](C)C(=O)O 269956a_100000743915_100000210623 [1,0,0,0,0,0|2,0,1]=4 167 B8R0.8 CC(=O)C(C)OCC=O 34a_100000212229_200009817547 [1,0,0,0,0,0|3,0,0]=4 168 B8R0.8 CC(=O)C(C)SCC=O 62a_100009814033_200015260668 [1,0,0,0,0,0|3,0,0]=4 169 B8R0.8 CC(=O)C(C)SCC=O 62a_200015260668_100009814033 [1,0,0,0,0,0|3,0,0]=4 170 B8R0.8 CC(CNCF)C(=O)O 269956a_100000749485_100015361967 [1,0,0,0,0,0|3,0,0]=4 171 B8R0.8 CC(SCC=O)C(=O)N 62a_100000702099_200015260668 [1,0,0,0,0,0|3,0,0]=4 172 B8R0.8 CC(SCC=O)C(=O)N 62a_200015260668_100000702099 [1,0,0,0,0,0|3,0,0]=4 173 B8R0.8 CCCCC(C)C(=O)C 1458a_100000070787_200011215066 [1,0,0,0,0,0|2,0,1]=4 174 B8R0.8 CCCCC(C)C(=O)C 1458a_100000725509_200000210301 [1,0,0,0,0,0|2,0,1]=4 175 B8R0.8 CCCCC(C)C(=O)[13CH3] 1458a_100000725509_200025704644 [1,0,0,0,0,0|2,0,1]=4 176 B8R0.8 CCCCC(O)C(=O)C 1458a_100000720857_200000210301 [1,0,0,0,0,0|2,0,1]=4 177 B8R0.8 CCCCC(O)C(=O)[13CH3] 1458a_100000720857_200025704644 [1,0,0,0,0,0|2,0,1]=4 178 B8R0.8 CCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210207 [1,0,0,0,0,0|2,0,1]=4 179 B8R0.8 CCNCC(C)C(=O)O 269956a_100000749485_100000210202 [1,0,0,0,0,0|2,0,1]=4 180 B8R0.8 CCNCC(F)C(=O)O 269956a_100000084737_100000210202 [1,0,0,0,0,0|2,0,1]=4 181 B8R0.8 CCOC[C@H](N)C(=O)N 34a_100000729942_100000210202 [1,0,0,0,0,0|2,0,1]=4 182 B8R0.8 C[C@@H](NCC=O)C(=O)N 2230a_100000119354_200015260668 [1,0,0,0,0,0|3,0,0]=4 183 B8R0.8 C[C@@H](NCC=O)C(=O)N 34a_100000119354_200009817547 [1,0,0,0,0,0|3,0,0]=4 184 B8R0.8 C[C@@H](OCC=O)C(=O)N 34a_100000731257_200009817547 [1,0,0,0,0,0|3,0,0]=4 185 B8R0.8 C[C@@H](OCC=O)C(=O)N 7a_100000731257_200015260668 [1,0,0,0,0,0|3,0,0]=4 186 B8R0.8 C[C@H](NCC=O)C(=O)O 269956a_100000743915_200015260668 [1,0,0,0,0,0|2,0,0]=3 187 B8R0.8 C[C@H](NCCF)C(=O)O 269956a_100000743915_100011217306 [1,0,0,0,0,0|3,0,0]=4 188 B8R0.8 C[C@H](NCCO)C(=O)O 269956a_100000743915_100000211926 [1,0,0,0,0,0|2,0,1]=4 189 B8R0.8 C[C@H](OCC=O)C(=O)[O-] 7a_217856618621_200015260668 [1,0,0,0,0,0|2,0,1]=4 190 B8R0.8 NC(=O)C(F)SCC=O 62a_100009813875_200015260668 [1,0,0,0,0,0|3,0,0]=4 191 B8R0.8 NC(=O)C(F)SCC=O 62a_200015260668_100009813875 [1,0,0,0,0,0|3,0,0]=4 192 B8R0.8 NC(=O)[C@@H](N)COCF 34a_100000729942_100015361967 [1,0,0,0,0,0|3,0,0]=4 193 B8R0.8 O=C(O)C(F)CNCF 269956a_100000084737_100015361967 [1,0,0,0,0,0|3,0,0]=4 194 B8R0.8 O=CCSC(F)C(=O)[O-] 62a_100020610796_200015260668 [1,0,0,0,0,0|2,0,1]=4 195 B8R0.8 O=CCSC(F)C(=O)[O-] 62a_200015260668_100020610796 [1,0,0,0,0,0|2,0,1]=4 196 B10R0.42 C=CCNCC(C)(C)C(=O)O 269956a_100000693527_100000210623 [0,1,0,0,0,0|3,0,0]=4 197 B10R0.42 C=CCNCC(F)(F)C(=O)O 269956a_100000734215_100000210623 [0,1,0,0,0,0|3,0,0]=4 198 B10R0.42 CC(C)(CNCC=O)C(=O)N 2230a_100000740840_200015260668 [0,1,0,0,0,0|3,0,0]=4 199 B10R0.42 CC(C)(CNCC=O)C(=O)N 34a_100000740840_200009817547 [0,1,0,0,0,0|3,0,0]=4 200 B10R0.42 CC(C)(CNCC=O)C(=O)O 269956a_100000693527_200015260668 [0,1,0,0,0,0|2,0,0]=3 201 B10R0.42 CC(C)(CSCC=O)C(=O)N 62a_200009895572_200015260668 [0,1,0,0,0,0|3,0,0]=4 202 B10R0.42 CC(C)(CSCC=O)C(=O)N 62a_200015260668_200009895572 [0,1,0,0,0,0|3,0,0]=4 203 B10R0.42 CC(C)(ONCC=O)C(=O)O 269956a_100016989451_200015260668 [0,1,0,0,0,0|3,0,0]=4 204 B10R0.42 O=CCNCC(F)(F)C(=O)O 269956a_100000734215_200015260668 [0,1,0,0,0,0|2,0,0]=3 205 B10R0.75 C#CCCCN[C@@H](C)C(=O)O 269956a_100000743915_100011215417 [0,1,0,0,0,0|2,0,1]=4 206 B10R0.75 C#CCCNCC(C)C(=O)O 269956a_100000749485_100000688953 [0,1,0,0,0,0|2,0,1]=4 207 B10R0.75 C#CCCNCC(F)C(=O)O 269956a_100000084737_100000688953 [0,1,0,0,0,0|2,0,1]=4 208 B10R0.75 C#CCCOC[C@H](N)C(=O)N 34a_100000729942_100000688953 [0,1,0,0,0,0|2,0,1]=4 209 B10R0.75 C/C=C/CNCC(C)C(=O)O 269956a_100000749485_100102629194 [0,1,0,0,0,0|2,0,1]=4 210 B10R0.75 C/C=C/CNCC(F)C(=O)O 269956a_100000084737_100102629194 [0,1,0,0,0,0|2,0,1]=4 211 B10R0.75 C/C=C/COC[C@H](N)C(=O)N 34a_100000729942_100102629194 [0,1,0,0,0,0|2,0,1]=4 212 B10R0.75 C=CCCCNC(C)C(=O)C 2230a_100000700776_100009814033 [0,1,0,0,0,0|3,0,0]=4 213 B10R0.75 C=CCCCNC(C)C(=O)N 2230a_100000700776_100000702099 [0,1,0,0,0,0|3,0,0]=4 214 B10R0.75 C=CCCCNC(C)C(=O)N 34a_100000700776_100000702099 [0,1,0,0,0,0|3,0,0]=4 215 B10R0.75 C=CCCCNC(F)C(=O)N 2230a_100000700776_100009813875 [0,1,0,0,0,0|3,0,0]=4 216 B10R0.75 C=CCCCNC(F)C(=O)N 34a_100000700776_100009813875 [0,1,0,0,0,0|3,0,0]=4 217 B10R0.75 C=CCCCNC(F)C(=O)[O-] 34a_100000700776_100020610796 [0,1,0,0,0,0|2,0,1]=4 218 B10R0.75 C=CCCCN[C@@H](C)C(=O)O 269956a_100000743915_100011713584 [0,1,0,0,0,0|2,0,0]=3 219 B10R0.75 C=CCCCN[C@H](C)C(=O)N 2230a_100000119354_100011713584 [0,1,0,0,0,0|3,0,0]=4 220 B10R0.75 C=CCCCN[C@H](C)C(=O)N 34a_100000119354_100000757094 [0,1,0,0,0,0|3,0,0]=4 221 B10R0.75 C=CCCCOC(C)C(=O)C 34a_100000212229_100000757094 [0,1,0,0,0,0|3,0,0]=4 222 B10R0.75 C=CCCCOC(C)C(=O)C 7a_100000758997_100000179758 [0,1,0,0,0,0|3,0,0]=4 223 B10R0.75 C=CCCCOC(C)C(=O)N 34a_100000758997_100000702099 [0,1,0,0,0,0|3,0,0]=4 224 B10R0.75 C=CCCCOC(C)C(=O)N 7a_100000758997_100000702099 [0,1,0,0,0,0|3,0,0]=4 225 B10R0.75 C=CCCCOC(F)C(=O)N 34a_100000758997_100009813875 [0,1,0,0,0,0|3,0,0]=4 226 B10R0.75 C=CCCCOC(F)C(=O)N 7a_100000758997_100009813875 [0,1,0,0,0,0|3,0,0]=4 227 B10R0.75 C=CCCCOC(F)C(=O)[O-] 34a_100000758997_100020610796 [0,1,0,0,0,0|2,0,1]=4 228 B10R0.75 C=CCCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000757094 [0,1,0,0,0,0|2,0,1]=4 229 B10R0.75 C=CCCCO[C@H](C)C(=O)N 34a_100000731257_100000757094 [0,1,0,0,0,0|3,0,0]=4 230 B10R0.75 C=CCCCO[C@H](C)C(=O)N 7a_100000731257_100000757094 [0,1,0,0,0,0|3,0,0]=4 231 B10R0.75 C=CCCCSC(C)C(=O)C 62a_100009814033_100000757094 [0,1,0,0,0,0|3,0,0]=4 232 B10R0.75 C=CCCCSC(C)C(=O)C 62a_100011713584_100009814033 [0,1,0,0,0,0|3,0,0]=4 233 B10R0.75 C=CCCCSC(C)C(=O)N 62a_100000702099_100000757094 [0,1,0,0,0,0|3,0,0]=4 234 B10R0.75 C=CCCCSC(C)C(=O)N 62a_100011713584_100000702099 [0,1,0,0,0,0|3,0,0]=4 235 B10R0.75 C=CCCCSC(F)C(=O)N 62a_100009813875_100000757094 [0,1,0,0,0,0|3,0,0]=4 236 B10R0.75 C=CCCCSC(F)C(=O)N 62a_100011713584_100009813875 [0,1,0,0,0,0|3,0,0]=4 237 B10R0.75 C=CCCCSC(F)C(=O)[O-] 62a_100011713584_100020610796 [0,1,0,0,0,0|2,0,1]=4 238 B10R0.75 C=CCCCSC(F)C(=O)[O-] 62a_100020610796_100000757094 [0,1,0,0,0,0|2,0,1]=4 239 B10R0.75 C=CCCNCC(C)C(=O)O 269956a_100000749485_100000754431 [0,1,0,0,0,0|2,0,0]=3 240 B10R0.75 C=CCCNCC(F)C(=O)O 269956a_100000084737_100000754431 [0,1,0,0,0,0|2,0,0]=3 241 B10R0.75 C=CCCOCC(C)C(=O)C 34a_100000032740_100000754431 [0,1,0,0,0,0|3,0,0]=4 242 B10R0.75 C=CCCOCC(C)C(=O)C 7a_100000032740_100000754431 [0,1,0,0,0,0|3,0,0]=4 243 B10R0.75 C=CCCOC[C@H](N)C(=O)N 34a_100000729942_100000754431 [0,1,0,0,0,0|2,0,0]=3 244 B10R0.75 C=COCCN[C@@H](C)C(=O)O 269956a_100000743915_100000039644 [0,1,0,0,0,0|3,0,0]=4 245 B10R0.75 CC(=O)C(C)SCCCC=O 62a_100009814033_200011292268 [0,1,0,0,0,0|2,0,0]=3 246 B10R0.75 CC(=O)C(C)SCCCC=O 62a_200011292268_100009814033 [0,1,0,0,0,0|2,0,0]=3 247 B10R0.75 CC(C)C(N)CCOCC=O 34a_100161115045_200009817547 [0,1,0,0,0,0|2,0,1]=4 248 B10R0.75 CC(CNCCC#N)C(=O)O 269956a_100000749485_100011215226 [0,1,0,0,0,0|2,0,1]=4 249 B10R0.75 CC(CNCCCF)C(=O)O 269956a_100000749485_100011934791 [0,1,0,0,0,0|2,0,1]=4 250 B10R0.75 CC(CNCCCO)C(=O)O 269956a_100000749485_100011215043 [0,1,0,0,0,0|1,0,2]=4 251 B10R0.75 CC(SCCCC=O)C(=O)N 62a_100000702099_200011292268 [0,1,0,0,0,0|2,0,0]=3 252 B10R0.75 CC(SCCCC=O)C(=O)N 62a_200011292268_100000702099 [0,1,0,0,0,0|2,0,0]=3 253 B10R0.75 CC=CCOC[C@H](N)C(=O)N 34a_100000729942_100000070051 [0,1,0,0,0,0|2,0,1]=4 254 B10R0.75 CCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210326 [0,1,0,0,0,0|2,0,1]=4 255 B10R0.75 CCCCNCC(C)C(=O)O 269956a_100000749485_100000210211 [0,1,0,0,0,0|2,0,1]=4 256 B10R0.75 CCCCNCC(F)C(=O)O 269956a_100000084737_100000210211 [0,1,0,0,0,0|2,0,1]=4 257 B10R0.75 CCCCOC[C@H](N)C(=O)N 34a_100000729942_100000210210 [0,1,0,0,0,0|2,0,1]=4 258 B10R0.75 COCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000740836 [0,1,0,0,0,0|3,0,0]=4 259 B10R0.75 COCCNCC(C)C(=O)O 269956a_100000749485_100000233755 [0,1,0,0,0,0|3,0,0]=4 260 B10R0.75 COCCNCC(F)C(=O)O 269956a_100000084737_100000233755 [0,1,0,0,0,0|3,0,0]=4 261 B10R0.75 COCCOC[C@H](N)C(=O)N 34a_100000729942_100011201679 [0,1,0,0,0,0|3,0,0]=4 262 B10R0.75 CSCCNCC(C)C(=O)O 269956a_100000749485_100000212216 [0,1,0,0,0,0|3,0,0]=4 263 B10R0.75 CSCCNCC(F)C(=O)O 269956a_100000084737_100000212216 [0,1,0,0,0,0|3,0,0]=4 264 B10R0.75 CSCCOC[C@H](N)C(=O)N 34a_100000729942_100000212216 [0,1,0,0,0,0|3,0,0]=4 265 B10R0.75 C[C@@H](NCCCC=O)C(=O)N 2230a_100000119354_200011292268 [0,1,0,0,0,0|2,0,0]=3 266 B10R0.75 C[C@@H](OCCCC=O)C(=O)N 7a_100000731257_200011292268 [0,1,0,0,0,0|2,0,0]=3 267 B10R0.75 C[C@H](NCCCC#N)C(=O)O 269956a_100000743915_100000687738 [0,1,0,0,0,0|2,0,1]=4 268 B10R0.75 C[C@H](NCCCC=O)C(=O)O 269956a_100000743915_200011292268 [0,1,0,0,0,0|1,0,0]=2 269 B10R0.75 C[C@H](NCCCCF)C(=O)O 269956a_100000743915_100000729493 [0,1,0,0,0,0|2,0,1]=4 270 B10R0.75 C[C@H](NCCCCO)C(=O)O 269956a_100000743915_100000210776 [0,1,0,0,0,0|1,0,2]=4 271 B10R0.75 C[C@H](OCCCC=O)C(=O)[O-] 7a_217856618621_200011292268 [0,1,0,0,0,0|1,0,1]=3 272 B10R0.75 N#CCCNCC(F)C(=O)O 269956a_100000084737_100011215226 [0,1,0,0,0,0|2,0,1]=4 273 B10R0.75 NC(=O)C(F)SCCCC=O 62a_100009813875_200011292268 [0,1,0,0,0,0|2,0,0]=3 274 B10R0.75 NC(=O)C(F)SCCCC=O 62a_200011292268_100009813875 [0,1,0,0,0,0|2,0,0]=3 275 B10R0.75 NC(=O)[C@@H](N)COCCCF 34a_100000729942_100011934791 [0,1,0,0,0,0|2,0,1]=4 276 B10R0.75 NC(=O)[C@@H](N)COCCCO 34a_100000729942_100000230001 [0,1,0,0,0,0|1,0,2]=4 277 B10R0.75 O=C(O)C(F)CNCCCF 269956a_100000084737_100011934791 [0,1,0,0,0,0|2,0,1]=4 278 B10R0.75 O=C(O)C(F)CNCCCO 269956a_100000084737_100011215043 [0,1,0,0,0,0|1,0,2]=4 279 B10R0.75 O=CCCCSC(F)C(=O)[O-] 62a_100020610796_200011292268 [0,1,0,0,0,0|1,0,1]=3 280 B10R0.75 O=CCCCSC(F)C(=O)[O-] 62a_200011292268_100020610796 [0,1,0,0,0,0|1,0,1]=3 281 B10R0.81 C=CCCN(C)C(C)C(=O)O 269956a_100000749554_100000754431 [0,1,0,0,0,0|3,0,0]=4 282 B10R0.81 C=CCO[C@H](C)[C@H](N)C(=O)N 34a_100000003557_100015514636 [0,1,0,0,0,0|3,0,0]=4 283 B10R0.81 C[C@@H](OCC=O)[C@H](N)C(=O)N 34a_100000003557_200009817547 [0,1,0,0,0,0|2,0,0]=3 284 B10R0.82 C=CC(C)NCC(C)C(=O)O 269956a_100000749485_100011215867 [0,1,0,0,0,0|3,0,0]=4 285 B10R0.82 C=CC(C)NCC(F)C(=O)O 269956a_100000084737_100011215867 [0,1,0,0,0,0|3,0,0]=4 286 B10R0.82 C=CC(O)CN[C@@H](C)C(=O)O 269956a_100000743915_100000730141 [0,1,0,0,0,0|3,0,0]=4 287 B10R0.83 C#CCOC[C@@H](N)C(=O)OC 34a_100000003586_100000184674 [0,1,0,0,0,0|2,0,1]=4 288 B10R0.83 C=C(CSCC=O)C(=O)OC 62a_100009813391_200015260668 [0,1,0,0,0,0|2,0,1]=4 289 B10R0.83 C=C(CSCC=O)C(=O)OC 62a_200015260668_100009813391 [0,1,0,0,0,0|2,0,1]=4 290 B10R0.83 C=CCCNC(C)C(=O)OC 2230a_100015191253_100000211248 [0,1,0,0,0,0|3,0,0]=4 291 B10R0.83 C=CCCOC(C)C(=O)OC 34a_100011205117_100000211248 [0,1,0,0,0,0|3,0,0]=4 292 B10R0.83 C=CCCOC(C)C(=O)OC 34a_100011215400_100000754431 [0,1,0,0,0,0|3,0,0]=4 293 B10R0.83 C=CCCSC(C)C(=O)OC 62a_100000211248_100000754431 [0,1,0,0,0,0|3,0,0]=4 294 B10R0.83 C=CCCSC(C)C(=O)OC 62a_100000754431_100000211248 [0,1,0,0,0,0|3,0,0]=4 295 B10R0.83 C=CCOCC(C)C(=O)OC 34a_100000749362_100015514636 [0,1,0,0,0,0|3,0,0]=4 296 B10R0.83 C=CCOCC(C)C(=O)OC 34a_200000210373_100000698445 [0,1,0,0,0,0|3,0,0]=4 297 B10R0.83 C=CCOCC(C)C(=O)OC 7a_100000749362_100015514636 [0,1,0,0,0,0|3,0,0]=4 298 B10R0.83 C=CCOCC(F)C(=O)OC 34a_200009849844_100015514636 [0,1,0,0,0,0|3,0,0]=4 299 B10R0.83 C=CCOCC(N)C(=O)NN 34a_100016989258_100015514636 [0,1,0,0,0,0|3,0,0]=4 300 B10R0.83 C=CCOC[C@@H](N)C(=O)OC 34a_100000003586_100015514636 [0,1,0,0,0,0|2,0,0]=3 301 B10R0.83 C=CCSCC(C)C(=O)OC 62a_100000210623_100000698445 [0,1,0,0,0,0|3,0,0]=4 302 B10R0.83 C=CCSCC(C)C(=O)OC 62a_100000698445_100000210623 [0,1,0,0,0,0|3,0,0]=4 303 B10R0.83 CCCCCC(C)C(=O)CO 1458a_100000210174_200011218191 [0,1,0,0,0,0|2,0,1]=4 304 B10R0.83 CCCOC[C@@H](N)C(=O)OC 34a_100000003586_100000210303 [0,1,0,0,0,0|2,0,1]=4 305 B10R0.83 CNC(=O)C(C)CNCC=O 2230a_100015187722_200015260668 [0,1,0,0,0,0|3,0,0]=4 306 B10R0.83 CNC(=O)C(C)CNCC=O 34a_100015187722_200009817547 [0,1,0,0,0,0|3,0,0]=4 307 B10R0.83 COC(=O)C(=O)CSCC=O 62a_100011610305_200015260668 [0,1,0,0,0,0|2,0,1]=4 308 B10R0.83 COC(=O)C(=O)CSCC=O 62a_200015260668_100011610305 [0,1,0,0,0,0|2,0,1]=4 309 B10R0.83 COC(=O)C(C)COCC=O 34a_100000749362_200009817547 [0,1,0,0,0,0|2,0,0]=3 310 B10R0.83 COC(=O)C(C)COCC=O 7a_100000749362_200015260668 [0,1,0,0,0,0|2,0,0]=3 311 B10R0.83 COC(=O)C(C)CSCC=O 62a_100000698445_200015260668 [0,1,0,0,0,0|2,0,0]=3 312 B10R0.83 COC(=O)C(C)CSCC=O 62a_200015260668_100000698445 [0,1,0,0,0,0|2,0,0]=3 313 B10R0.83 COC(=O)C(F)COCC=O 34a_200009849844_200009817547 [0,1,0,0,0,0|2,0,0]=3 314 B10R0.83 COC(=O)[C@H](N)COCC=O 34a_100000003586_200009817547 [0,1,0,0,0,0|1,0,0]=2 315 B10R0.83 COC(=O)[C@H](N)COCCF 34a_100000003586_100011217306 [0,1,0,0,0,0|2,0,1]=4 316 B10R0.83 COC(=O)[C@H](N)COCCO 34a_100000003586_100000211926 [0,1,0,0,0,0|1,0,2]=4 317 B10R0.83 COC(=O)[C@H](N)COCSC 34a_100000003586_100011218213 [0,1,0,0,0,0|3,0,0]=4 318 B10R0.83 NNC(=O)C(N)COCC=O 34a_100016989258_200009817547 [0,1,0,0,0,0|2,0,0]=3 319 B10R0.86 C=CCCNC(CO)C(=O)O 269956a_100000187304_100000754431 [0,1,0,0,0,0|3,0,0]=4 320 B10R0.86 C=CCCN[C@@H](C=C)C(=O)O 269956a_100016992060_100000754431 [0,1,0,0,0,0|3,0,0]=4 321 B10R0.86 C=CCCN[C@H](CC)C(=O)O 269956a_100000747097_100000754431 [0,1,0,0,0,0|3,0,0]=4 322 B10R0.98 C=C(C)CCN[C@@H](C)C(=O)O 269956a_100000743915_100000730704 [0,1,0,0,0,0|3,0,0]=4 323 B10R0.98 C=C(C)CNCC(C)C(=O)O 269956a_100000749485_100000748629 [0,1,0,0,0,0|3,0,0]=4 324 B10R0.98 C=C(C)CNCC(F)C(=O)O 269956a_100000084737_100000748629 [0,1,0,0,0,0|3,0,0]=4 325 B10R0.98 C=C(C)COC[C@H](N)C(=O)N 34a_100000729942_100000748629 [0,1,0,0,0,0|3,0,0]=4 326 B10R0.98 C=C(F)CNCC(C)C(=O)O 269956a_100000749485_100000042424 [0,1,0,0,0,0|3,0,0]=4 327 B10R0.98 C=C(F)CNCC(F)C(=O)O 269956a_100000084737_100000042424 [0,1,0,0,0,0|3,0,0]=4 328 B10R0.98 C=C(F)COC[C@H](N)C(=O)N 34a_100000729942_100009893438 [0,1,0,0,0,0|3,0,0]=4 329 B10R0.98 CC(=O)C(C)COCC(=O)N 34a_100000032740_100000187820 [0,1,0,0,0,0|3,0,0]=4 330 B10R0.98 CC(=O)C(C)COCC(=O)N 7a_100000032740_100000187820 [0,1,0,0,0,0|3,0,0]=4 331 B10R0.98 CC(=O)C(C)COCC(=O)[O-] 34a_100000032740_100020667443 [0,1,0,0,0,0|3,0,0]=4 332 B10R0.98 CC(=O)C(C)OCCC(=O)N 34a_100000212229_100000731001 [0,1,0,0,0,0|3,0,0]=4 333 B10R0.98 CC(=O)C(C)OCCC(=O)N 7a_100000757172_100000179758 [0,1,0,0,0,0|3,0,0]=4 334 B10R0.98 CC(=O)C(C)SCCC(=O)N 62a_100000744528_100009814033 [0,1,0,0,0,0|3,0,0]=4 335 B10R0.98 CC(=O)C(C)SCCC(=O)N 62a_100009814033_100000744528 [0,1,0,0,0,0|3,0,0]=4 336 B10R0.98 CC(=O)CCN[C@@H](C)C(=O)O 269956a_100000743915_100000053229 [0,1,0,0,0,0|2,0,0]=3 337 B10R0.98 CC(=O)CCOC(C)C(=O)C 7a_100000759926_100000179758 [0,1,0,0,0,0|3,0,0]=4 338 B10R0.98 CC(=O)CCOC(C)C(=O)N 34a_100000759926_100000702099 [0,1,0,0,0,0|3,0,0]=4 339 B10R0.98 CC(=O)CCOC(C)C(=O)N 7a_100000759926_100000702099 [0,1,0,0,0,0|3,0,0]=4 340 B10R0.98 CC(=O)CCOC(F)C(=O)N 34a_100000759926_100009813875 [0,1,0,0,0,0|3,0,0]=4 341 B10R0.98 CC(=O)CCOC(F)C(=O)N 7a_100000759926_100009813875 [0,1,0,0,0,0|3,0,0]=4 342 B10R0.98 CC(=O)CCOC(F)C(=O)[O-] 34a_100000759926_100020610796 [0,1,0,0,0,0|2,0,1]=4 343 B10R0.98 CC(=O)CCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000053229 [0,1,0,0,0,0|2,0,1]=4 344 B10R0.98 CC(=O)CCO[C@H](C)C(=O)N 7a_100000731257_100000053229 [0,1,0,0,0,0|3,0,0]=4 345 B10R0.98 CC(=O)CCSC(C)C(=O)C 62a_100000053229_100009814033 [0,1,0,0,0,0|3,0,0]=4 346 B10R0.98 CC(=O)CCSC(C)C(=O)C 62a_100009814033_100000053229 [0,1,0,0,0,0|3,0,0]=4 347 B10R0.98 CC(=O)CCSC(C)C(=O)N 62a_100000053229_100000702099 [0,1,0,0,0,0|3,0,0]=4 348 B10R0.98 CC(=O)CCSC(C)C(=O)N 62a_100000702099_100000053229 [0,1,0,0,0,0|3,0,0]=4 349 B10R0.98 CC(=O)CCSC(F)C(=O)N 62a_100000053229_100009813875 [0,1,0,0,0,0|3,0,0]=4 350 B10R0.98 CC(=O)CCSC(F)C(=O)N 62a_100009813875_100000053229 [0,1,0,0,0,0|3,0,0]=4 351 B10R0.98 CC(=O)CCSC(F)C(=O)[O-] 62a_100000053229_100020610796 [0,1,0,0,0,0|2,0,1]=4 352 B10R0.98 CC(=O)CCSC(F)C(=O)[O-] 62a_100020610796_100000053229 [0,1,0,0,0,0|2,0,1]=4 353 B10R0.98 CC(=O)OCN[C@@H](C)C(=O)O 269956a_100000743915_100000076356 [0,1,0,0,0,0|3,0,0]=4 354 B10R0.98 CC(CNCC(=O)N)C(=O)O 269956a_100000749485_100000187820 [0,1,0,0,0,0|2,0,0]=3 355 B10R0.98 CC(CNCC(=O)[O-])C(=O)O 269956a_100000749485_100020667443 [0,1,0,0,0,0|2,0,0]=3 356 B10R0.98 CC(CNC[N+](=O)[O-])C(=O)O 269956a_100000749485_100000761209 [0,1,0,0,0,0|3,0,0]=4 357 B10R0.98 CC(OCCC(=O)N)C(=O)N 34a_100000757172_100000702099 [0,1,0,0,0,0|3,0,0]=4 358 B10R0.98 CC(OCCC(=O)N)C(=O)N 7a_100000757172_100000702099 [0,1,0,0,0,0|3,0,0]=4 359 B10R0.98 CC(SCCC(=O)N)C(=O)N 62a_100000702099_100000744528 [0,1,0,0,0,0|3,0,0]=4 360 B10R0.98 CC(SCCC(=O)N)C(=O)N 62a_100000744528_100000702099 [0,1,0,0,0,0|3,0,0]=4 361 B10R0.98 C[C@@H](NCCC(=O)N)C(=O)N 2230a_100000119354_100000744528 [0,1,0,0,0,0|3,0,0]=4 362 B10R0.98 C[C@@H](NCCC(=O)N)C(=O)N 34a_100000119354_100000731001 [0,1,0,0,0,0|3,0,0]=4 363 B10R0.98 C[C@@H](OCCC(=O)N)C(=O)N 34a_100000731257_100000731001 [0,1,0,0,0,0|3,0,0]=4 364 B10R0.98 C[C@@H](OCCC(=O)N)C(=O)N 7a_100000731257_100000744528 [0,1,0,0,0,0|3,0,0]=4 365 B10R0.98 C[C@H](NCCC(=O)N)C(=O)O 269956a_100000743915_100000744528 [0,1,0,0,0,0|2,0,0]=3 366 B10R0.98 C[C@H](OCCC(=O)N)C(=O)[O-] 7a_217856618621_100000744528 [0,1,0,0,0,0|2,0,1]=4 367 B10R0.98 NC(=O)CCOC(F)C(=O)N 34a_100000757172_100009813875 [0,1,0,0,0,0|3,0,0]=4 368 B10R0.98 NC(=O)CCOC(F)C(=O)N 7a_100000757172_100009813875 [0,1,0,0,0,0|3,0,0]=4 369 B10R0.98 NC(=O)CCOC(F)C(=O)[O-] 34a_100000757172_100020610796 [0,1,0,0,0,0|2,0,1]=4 370 B10R0.98 NC(=O)CCSC(F)C(=O)N 62a_100000744528_100009813875 [0,1,0,0,0,0|3,0,0]=4 371 B10R0.98 NC(=O)CCSC(F)C(=O)N 62a_100009813875_100000744528 [0,1,0,0,0,0|3,0,0]=4 372 B10R0.98 NC(=O)CCSC(F)C(=O)[O-] 62a_100000744528_100020610796 [0,1,0,0,0,0|2,0,1]=4 373 B10R0.98 NC(=O)CCSC(F)C(=O)[O-] 62a_100020610796_100000744528 [0,1,0,0,0,0|2,0,1]=4 374 B10R0.98 NC(=O)CNCC(F)C(=O)O 269956a_100000084737_100000187820 [0,1,0,0,0,0|2,0,0]=3 375 B10R0.98 NC(=O)COC[C@H](N)C(=O)N 34a_100000729942_100000187820 [0,1,0,0,0,0|2,0,0]=3 376 B10R0.98 NC(=O)[C@@H](N)COCC(=O)[O-] 34a_100000729942_100020667443 [0,1,0,0,0,0|2,0,0]=3 377 B10R0.98 NC(=O)[C@@H](N)COC[N+](=O)[O-] 34a_100000729942_100000761209 [0,1,0,0,0,0|3,0,0]=4 378 B10R0.98 O=C(O)C(F)CNC[N+](=O)[O-] 269956a_100000084737_100000761209 [0,1,0,0,0,0|3,0,0]=4 379 B10R0.98 O=C([O-])CNCC(F)C(=O)O 269956a_100000084737_100020667443 [0,1,0,0,0,0|2,0,0]=3 380 B10R1.31 CN[C@H]1CC[C@H](C1)C(=O)O 269956a_100015195206_200000210301 [0,0,0,1,0,0|3,0,0]=4 381 B10R1.31 [13CH3]N[C@H]1CC[C@H](C1)C(=O)O 269956a_100015195206_200025704644 [0,0,0,1,0,0|3,0,0]=4 382 B10R1.93 NC(=O)C1CN(C1)CC=O 34a_100025753142_200009817547 [0,0,0,1,0,0|3,0,0]=4 383 B10R1.113 CC(=O)C1CCNC(=O)C1 1458a_100000132800_200000210301 [0,0,0,1,0,0|3,0,0]=4 384 B10R1.113 CC(=O)C1CSCC(=O)N1 1458a_100000045068_200000210301 [0,0,0,1,0,0|2,0,0]=3 385 B10R1.113 CC(=O)[C@@H]1CCN=C(N1)C 1458a_100015271614_200000210301 [0,0,0,1,0,0|3,0,0]=4 386 B10R1.113 CC(=O)[C@H]1CCCC(=O)N1 1458a_100000705292_200000210301 [0,0,0,1,0,0|1,0,0]=2 387 B10R1.113 CC1=NCC[C@H](N1)C(=O)[13CH3] 1458a_100015271614_200025704644 [0,0,0,1,0,0|3,0,0]=4 388 B10R1.113 [13CH3]C(=O)C1CCNC(=O)C1 1458a_100000132800_200025704644 [0,0,0,1,0,0|3,0,0]=4 389 B10R1.113 [13CH3]C(=O)C1CSCC(=O)N1 1458a_100000045068_200025704644 [0,0,0,1,0,0|2,0,0]=3 390 B10R1.113 [13CH3]C(=O)[C@H]1CCCC(=O)N1 1458a_100000705292_200025704644 [0,0,0,1,0,0|1,0,0]=2 391 B10R1.291 CN1CCC[C@@]1(C)C(=O)O 269956a_100009816582_200000210301 [0,0,0,1,0,0|3,0,0]=4 392 B10R1.291 C[C@]1(CCCN1[13CH3])C(=O)O 269956a_100009816582_200025704644 [0,0,0,1,0,0|3,0,0]=4 393 B10R0.6 C=CCCCN(C)CC(=O)O 269956a_100000746989_100011713584 [0,0,0,0,0,1|3,0,0]=4 394 B10R0.6 C=CCNCC(O)CC(=O)O 269956a_100011218706_100000210623 [0,0,0,0,0,1|3,0,0]=4 395 B10R0.6 CN(CCCC=O)CC(=O)N 2230a_100000739694_200011292268 [0,0,0,0,0,1|3,0,0]=4 396 B10R0.6 CN(CCCC=O)CC(=O)O 269956a_100000746989_200011292268 [0,0,0,0,0,1|2,0,0]=3 397 B10R0.6 O=CCNCC(O)CC(=O)O 269956a_100011218706_200015260668 [0,0,0,0,0,1|2,0,0]=3 398 B7R0.1 C=CCCNCC=O 2230a_100015191253_200015260668 [2,0,0,0,0,0|2,0,0]=4 399 B7R0.1 C=CCCOCC=O 34a_100011205117_200009817547 [2,0,0,0,0,0|2,0,0]=4 400 B7R0.1 C=CCCSCC=O 62a_100000754431_200015260668 [2,0,0,0,0,0|2,0,0]=4 401 B7R0.1 C=CCCSCC=O 62a_200015260668_100000754431 [2,0,0,0,0,0|2,0,0]=4 402 B7R0.1 CNCCCCC=O 2230a_106832991635_100000139335 [2,0,0,0,0,0|2,0,0]=4 403 B7R0.1 CNCCCCC=O 7a_106832991635_100000139335 [2,0,0,0,0,0|2,0,0]=4 404 B7R0.1 CSCCCCC=O 62a_100000139335_200000210301 [2,0,0,0,0,0|2,0,0]=4 405 B7R0.1 CSCCCCC=O 62a_200000210301_100000139335 [2,0,0,0,0,0|2,0,0]=4 406 B7R0.1 O=CCSCCCO 62a_100011215043_200015260668 [2,0,0,0,0,0|1,0,1]=4 407 B7R0.1 O=CCSCCCO 62a_200015260668_100011215043 [2,0,0,0,0,0|1,0,1]=4 408 B7R0.1 [13CH3]SCCCCC=O 62a_100000139335_200025704644 [2,0,0,0,0,0|2,0,0]=4 409 B7R0.1 [13CH3]SCCCCC=O 62a_200025704644_100000139335 [2,0,0,0,0,0|2,0,0]=4 410 B7R0.4 C=CCCCC(=O)C 1458a_100000070787_100000757094 [2,0,0,0,0,0|1,0,1]=4 411 B7R0.4 C=CCCCC(=O)C 1458a_100000766728_200000210301 [2,0,0,0,0,0|1,0,1]=4 412 B7R0.4 C=CCCCC(=O)[13CH3] 1458a_100000766728_200025704644 [2,0,0,0,0,0|1,0,1]=4 413 B7R0.4 C=CCNCC(=O)O 269956a_100016091260_100000210623 [2,0,0,0,0,0|1,0,1]=4 414 B7R0.4 CC(=O)CCCCF 1458a_100000070787_100000729493 [2,0,0,0,0,0|2,0,0]=4 415 B7R0.4 CC(=O)CCCCO 1458a_100000070787_100000210776 [2,0,0,0,0,0|1,0,1]=4 416 B7R0.4 CC(=O)CCCCO 1458a_100000695505_200000210301 [2,0,0,0,0,0|1,0,1]=4 417 B7R0.4 CC(=O)COCC=O 34a_100000211253_200009817547 [2,0,0,0,0,0|2,0,0]=4 418 B7R0.4 CC(O)CNCC=O 2230a_100000210904_200015260668 [2,0,0,0,0,0|2,0,0]=4 419 B7R0.4 CC(O)CNCC=O 34a_100000210904_200009817547 [2,0,0,0,0,0|2,0,0]=4 420 B7R0.4 CC(O)CSCC=O 62a_100011218427_200015260668 [2,0,0,0,0,0|2,0,0]=4 421 B7R0.4 CC(O)CSCC=O 62a_200015260668_100011218427 [2,0,0,0,0,0|2,0,0]=4 422 B7R0.4 CCCCCC(=O)C 1458a_100000070787_100000210326 [2,0,0,0,0,0|1,0,1]=4 423 B7R0.4 CCCCCC(=O)C 1458a_100000212188_200000210301 [2,0,0,0,0,0|1,0,1]=4 424 B7R0.4 CCCCCC(=O)[13CH3] 1458a_100000212188_200025704644 [2,0,0,0,0,0|1,0,1]=4 425 B7R0.4 CCCNCC(=O)O 269956a_100016091260_100000210207 [2,0,0,0,0,0|1,0,1]=4 426 B7R0.4 C[C@@H](N)COCC=O 34a_100000737577_200009817547 [2,0,0,0,0,0|1,0,1]=4 427 B7R0.4 C[C@@H](O)CSCC=O 62a_100009817552_200015260668 [2,0,0,0,0,0|2,0,0]=4 428 B7R0.4 C[C@@H](O)CSCC=O 62a_200015260668_100009817552 [2,0,0,0,0,0|2,0,0]=4 429 B7R0.4 NC(=O)CNCC=O 2230a_100000711301_200015260668 [2,0,0,0,0,0|1,0,1]=4 430 B7R0.4 NC(=O)CSCC=O 62a_100000747473_200015260668 [2,0,0,0,0,0|1,0,1]=4 431 B7R0.4 NC(=O)CSCC=O 62a_200015260668_100000747473 [2,0,0,0,0,0|1,0,1]=4 432 B7R0.4 O=C(O)CNCCF 269956a_100016091260_100011217306 [2,0,0,0,0,0|2,0,0]=4 433 B7R0.4 O=C(O)CNCCO 269956a_100016091260_100000211926 [2,0,0,0,0,0|1,0,1]=4 434 B7R0.4 O=CCNCC(=O)O 269956a_100016091260_200015260668 [2,0,0,0,0,0|1,0,0]=3 435 B7R0.4 O=CCSCC(=O)[O-] 62a_100020667443_200015260668 [2,0,0,0,0,0|1,0,1]=4 436 B7R0.4 O=CCSCC(=O)[O-] 62a_200015260668_100020667443 [2,0,0,0,0,0|1,0,1]=4 437 B7R0.4 [13CH3]C(=O)CCCCO 1458a_100000695505_200025704644 [2,0,0,0,0,0|1,0,1]=4 438 B7R0.5 CC(CN[13CH3])C(=O)O 269956a_100000749485_200025704644 [2,0,0,0,0,0|2,0,0]=4 439 B7R0.5 CCCC(C)C(=O)C 1458a_100000070787_100000766640 [2,0,0,0,0,0|2,0,0]=4 440 B7R0.5 CCCC(C)C(=O)C 1458a_100000210906_200000210301 [2,0,0,0,0,0|2,0,0]=4 441 B7R0.5 CCCC(C)C(=O)[13CH3] 1458a_100000210906_200025704644 [2,0,0,0,0,0|2,0,0]=4 442 B7R0.5 CCC[C@H](O)C(=O)C 1458a_100009822183_200000210301 [2,0,0,0,0,0|2,0,0]=4 443 B7R0.5 CCC[C@H](O)C(=O)[13CH3] 1458a_100009822183_200025704644 [2,0,0,0,0,0|2,0,0]=4 444 B7R0.5 CCN[C@@H](C)C(=O)O 269956a_100000743915_100000210202 [2,0,0,0,0,0|2,0,0]=4 445 B7R0.5 CNCC(C)C(=O)O 269956a_100000749485_200000210301 [2,0,0,0,0,0|2,0,0]=4 446 B7R0.5 CNCC(F)C(=O)O 269956a_100000084737_200000210301 [2,0,0,0,0,0|2,0,0]=4 447 B7R0.5 COC[C@H](N)C(=O)N 34a_100000729942_200000210301 [2,0,0,0,0,0|2,0,0]=4 448 B7R0.5 [13CH3]NCC(F)C(=O)O 269956a_100000084737_200025704644 [2,0,0,0,0,0|2,0,0]=4 449 B7R0.5 [13CH3]OC[C@H](N)C(=O)N 34a_100000729942_200025704644 [2,0,0,0,0,0|2,0,0]=4 450 B9R0.1 C=C[C@H](N)COCC(=O)N 34a_100016989147_100000187820 [1,1,0,0,0,0|2,0,0]=4 451 B9R0.1 C=C[C@H](N)COCC(=O)[O-] 34a_100016989147_100020667443 [1,1,0,0,0,0|2,0,0]=4 452 B9R0.5 C=CC[C@@H](N)COCC=O 34a_100020615467_200009817547 [1,1,0,0,0,0|2,0,0]=4 453 B9R0.5 COCC(N)COCC=O 34a_100000724102_200009817547 [1,1,0,0,0,0|1,0,1]=4 454 B9R0.46 C=CC(C)SCCCC=O 62a_100011215867_200011292268 [1,1,0,0,0,0|2,0,0]=4 455 B9R0.46 C=CCCOC[C@@H](N)C=C 34a_100016989147_100000754431 [1,1,0,0,0,0|2,0,0]=4 456 B9R0.46 CC(CO)CCNCC=O 2230a_106354213184_200015260668 [1,1,0,0,0,0|1,0,1]=4 457 B9R0.46 CC(CO)CCNCC=O 34a_106354213184_200009817547 [1,1,0,0,0,0|1,0,1]=4 458 B9R0.46 CC(CO)SCCCC=O 62a_100012180447_200011292268 [1,1,0,0,0,0|1,0,1]=4 459 B9R0.46 C[C@H](CO)NCCCC=O 2230a_100000737577_200011292268 [1,1,0,0,0,0|1,0,1]=4 460 B9R0.46 C[C@H](CO)SCCCC=O 62a_100016084084_200011292268 [1,1,0,0,0,0|1,0,1]=4 461 B9R0.46 C[C@H](CO)SCCCC=O 62a_200011292268_100016084084 [1,1,0,0,0,0|1,0,1]=4 462 B9R0.46 NC(=NO)CCOCC=O 34a_100000749954_200009817547 [1,1,0,0,0,0|1,0,1]=4 463 B9R0.2 C#CCCCNCC(=O)O 269956a_100016091260_100011215417 [1,1,0,0,0,0|1,0,1]=4 464 B9R0.2 C=C(C)CSCCCC=O 62a_100000748629_200011292268 [1,1,0,0,0,0|2,0,0]=4 465 B9R0.2 C=C(C)CSCCCC=O 62a_200011292268_100000211660 [1,1,0,0,0,0|2,0,0]=4 466 B9R0.2 C=C(F)CSCCCC=O 62a_100000042424_200011292268 [1,1,0,0,0,0|2,0,0]=4 467 B9R0.2 C=C(F)CSCCCC=O 62a_200011292268_100000042424 [1,1,0,0,0,0|2,0,0]=4 468 B9R0.2 C=CCCCCCC(=O)C 1458a_100000070787_100000700193 [1,1,0,0,0,0|2,0,0]=4 469 B9R0.2 C=CCCCCCC(=O)C 1458a_100011934241_200000210301 [1,1,0,0,0,0|2,0,0]=4 470 B9R0.2 C=CCCCCCC(=O)[13CH3] 1458a_100011934241_200025704644 [1,1,0,0,0,0|2,0,0]=4 471 B9R0.2 C=CCCCCNC(=O)C 11a_100000703577_100015343762 [1,1,0,0,0,0|2,0,0]=4 472 B9R0.2 C=CCCCCNC(=O)C 1626a_100000703577_100015343762 [1,1,0,0,0,0|2,0,0]=4 473 B9R0.2 C=CCCCCNC(=O)C 240690a_100000703577_100015343762 [1,1,0,0,0,0|2,0,0]=4 474 B9R0.2 C=CCCCCNC(=O)C 527a_100000703577_100103153847 [1,1,0,0,0,0|2,0,0]=4 475 B9R0.2 C=CCCCNCC(=O)N 2230a_100000700776_100000747473 [1,1,0,0,0,0|2,0,0]=4 476 B9R0.2 C=CCCCNCC(=O)N 2230a_100000711301_100011713584 [1,1,0,0,0,0|2,0,0]=4 477 B9R0.2 C=CCCCNCC(=O)N 34a_100000700776_100000187820 [1,1,0,0,0,0|2,0,0]=4 478 B9R0.2 C=CCCCNCC(=O)O 269956a_100016091260_100011713584 [1,1,0,0,0,0|1,0,0]=3 479 B9R0.2 C=CCCCNCC(=O)[O-] 34a_100000700776_100020667443 [1,1,0,0,0,0|1,0,1]=4 480 B9R0.2 C=CCCCOCC(=O)C 34a_100000211253_100000757094 [1,1,0,0,0,0|2,0,0]=4 481 B9R0.2 C=CCCCOCC(=O)N 34a_100000758997_100000187820 [1,1,0,0,0,0|2,0,0]=4 482 B9R0.2 C=CCCCOCC(=O)N 7a_100000758997_100000187820 [1,1,0,0,0,0|2,0,0]=4 483 B9R0.2 C=CCCCOCC(=O)[O-] 34a_100000758997_100020667443 [1,1,0,0,0,0|1,0,1]=4 484 B9R0.2 C=CCCCSCC(=O)N 62a_100000747473_100000757094 [1,1,0,0,0,0|2,0,0]=4 485 B9R0.2 C=CCCCSCC(=O)N 62a_100011713584_100000747473 [1,1,0,0,0,0|2,0,0]=4 486 B9R0.2 C=CCCCSCC(=O)[O-] 62a_100011713584_100020667443 [1,1,0,0,0,0|1,0,1]=4 487 B9R0.2 C=CCCCSCC(=O)[O-] 62a_100020667443_100000757094 [1,1,0,0,0,0|1,0,1]=4 488 B9R0.2 C=CCCNCCC(=O)N 2230a_100015191253_100000744528 [1,1,0,0,0,0|2,0,0]=4 489 B9R0.2 C=CCCNOCC(=O)O 269956a_100000106656_100000754431 [1,1,0,0,0,0|2,0,0]=4 490 B9R0.2 C=CCCOCCC(=O)C 34a_100000759926_100000754431 [1,1,0,0,0,0|2,0,0]=4 491 B9R0.2 C=CCCOCCC(=O)C 7a_100000759926_100000754431 [1,1,0,0,0,0|2,0,0]=4 492 B9R0.2 C=CCCOCCC(=O)N 34a_100000757172_100000754431 [1,1,0,0,0,0|2,0,0]=4 493 B9R0.2 C=CCCOCCC(=O)N 34a_100011205117_100000731001 [1,1,0,0,0,0|2,0,0]=4 494 B9R0.2 C=CCCOCCC(=O)N 7a_100000757172_100000754431 [1,1,0,0,0,0|2,0,0]=4 495 B9R0.2 C=CCCSCCC(=O)C 62a_100000053229_100000754431 [1,1,0,0,0,0|2,0,0]=4 496 B9R0.2 C=CCCSCCC(=O)C 62a_100000754431_100000053229 [1,1,0,0,0,0|2,0,0]=4 497 B9R0.2 C=CCCSCCC(=O)N 62a_100000744528_100000754431 [1,1,0,0,0,0|2,0,0]=4 498 B9R0.2 C=CCCSCCC(=O)N 62a_100000754431_100000744528 [1,1,0,0,0,0|2,0,0]=4 499 B9R0.2 C=CCNCCCC(=O)N 34a_100000739312_100015514636 [1,1,0,0,0,0|2,0,0]=4 500 B9R0.2 C=CCOCCCC(=O)C 34a_100000759063_100015514636 [1,1,0,0,0,0|2,0,0]=4 501 B9R0.2 C=CCOCCCC(=O)C 34a_200000210373_100000685027 [1,1,0,0,0,0|2,0,0]=4 502 B9R0.2 C=CCOCCCC(=O)C 7a_100000759063_100015514636 [1,1,0,0,0,0|2,0,0]=4 503 B9R0.2 C=CCOCCCC(=O)N 34a_200000210373_100102525003 [1,1,0,0,0,0|2,0,0]=4 504 B9R0.2 C=CCSCCCC(=O)C 62a_100000210623_100011215641 [1,1,0,0,0,0|2,0,0]=4 505 B9R0.2 C=CCSCCCC(=O)C 62a_100011215641_100000210623 [1,1,0,0,0,0|2,0,0]=4 506 B9R0.2 C=CCSCCCC(=O)N 62a_100000210623_100102525003 [1,1,0,0,0,0|2,0,0]=4 507 B9R0.2 C=CCSCCCC(=O)N 62a_100102525003_100000210623 [1,1,0,0,0,0|2,0,0]=4 508 B9R0.2 C=COCCNCC(=O)O 269956a_100016091260_100000039644 [1,1,0,0,0,0|2,0,0]=4 509 B9R0.2 CC(=O)CCCOCC=O 34a_100000759063_200009817547 [1,1,0,0,0,0|1,0,0]=3 510 B9R0.2 CC(=O)CCCOCC=O 7a_100000759063_200015260668 [1,1,0,0,0,0|1,0,0]=3 511 B9R0.2 CC(=O)CCCSCC=O 62a_100011215641_200015260668 [1,1,0,0,0,0|1,0,0]=3 512 B9R0.2 CC(=O)CCCSCC=O 62a_200015260668_100011215641 [1,1,0,0,0,0|1,0,0]=3 513 B9R0.2 CC(=O)NCCNCC=O 2230a_100000209853_200015260668 [1,1,0,0,0,0|2,0,0]=4 514 B9R0.2 CC(=O)NCCOCC=O 34a_100000158858_200009817547 [1,1,0,0,0,0|2,0,0]=4 515 B9R0.2 CC(=O)NCCSCC=O 62a_100000189650_200015260668 [1,1,0,0,0,0|2,0,0]=4 516 B9R0.2 CC(=O)NCCSCC=O 62a_200015260668_100000189650 [1,1,0,0,0,0|2,0,0]=4 517 B9R0.2 CC(=O)OCCSCC=O 62a_100009814007_200015260668 [1,1,0,0,0,0|2,0,0]=4 518 B9R0.2 CC(=O)OCCSCC=O 62a_200015260668_100009814007 [1,1,0,0,0,0|2,0,0]=4 519 B9R0.2 CC(O)CCCSCC=O 62a_200000718107_200015260668 [1,1,0,0,0,0|1,0,1]=4 520 B9R0.2 CC(O)CCCSCC=O 62a_200015260668_200000718107 [1,1,0,0,0,0|1,0,1]=4 521 B9R0.2 CC(O)CNCCCC=O 2230a_100000210904_200011292268 [1,1,0,0,0,0|1,0,1]=4 522 B9R0.2 CC(O)CSCCCC=O 62a_100011218427_200011292268 [1,1,0,0,0,0|1,0,1]=4 523 B9R0.2 CC(O)CSCCCC=O 62a_200011292268_100011218427 [1,1,0,0,0,0|1,0,1]=4 524 B9R0.2 CCCCCNCC(=O)O 269956a_100016091260_100000210326 [1,1,0,0,0,0|1,0,1]=4 525 B9R0.2 COCCCNCC(=O)O 269956a_100016091260_100000740836 [1,1,0,0,0,0|2,0,0]=4 526 B9R0.2 CS(=O)CCCNCC=O 2230a_200000753449_200015260668 [1,1,0,0,0,0|2,0,0]=4 527 B9R0.2 C[C@@H](O)CSCCCC=O 62a_100009817552_200011292268 [1,1,0,0,0,0|1,0,1]=4 528 B9R0.2 C[C@@H](O)CSCCCC=O 62a_200011292268_100009817552 [1,1,0,0,0,0|1,0,1]=4 529 B9R0.2 N#CCCCNCC(=O)O 269956a_100016091260_100000687738 [1,1,0,0,0,0|1,0,1]=4 530 B9R0.2 NC(=O)CCCNCC=O 34a_100000739312_200009817547 [1,1,0,0,0,0|1,0,0]=3 531 B9R0.2 NC(=O)CCCSCC=O 62a_100102525003_200015260668 [1,1,0,0,0,0|1,0,0]=3 532 B9R0.2 NC(=O)CCCSCC=O 62a_200015260668_100102525003 [1,1,0,0,0,0|1,0,0]=3 533 B9R0.2 NC(=O)CNCCCC=O 2230a_100000711301_200011292268 [1,1,0,0,0,0|1,0,0]=3 534 B9R0.2 NC(=O)CSCCCC=O 62a_100000747473_200011292268 [1,1,0,0,0,0|1,0,0]=3 535 B9R0.2 NC(=O)CSCCCC=O 62a_200011292268_100000747473 [1,1,0,0,0,0|1,0,0]=3 536 B9R0.2 NC(=O)NCCNCC=O 34a_100020590234_200009817547 [1,1,0,0,0,0|2,0,0]=4 537 B9R0.2 NC(=O)NCCOCC=O 34a_100000181757_200009817547 [1,1,0,0,0,0|2,0,0]=4 538 B9R0.2 NC(=O)NCCSCC=O 62a_200000034859_200015260668 [1,1,0,0,0,0|2,0,0]=4 539 B9R0.2 NC(=O)NCCSCC=O 62a_200015260668_200000034859 [1,1,0,0,0,0|2,0,0]=4 540 B9R0.2 NC(=O)OCCOCC=O 7a_100000766696_200015260668 [1,1,0,0,0,0|2,0,0]=4 541 B9R0.2 NC(=O)OCCSCC=O 62a_200011214921_200015260668 [1,1,0,0,0,0|2,0,0]=4 542 B9R0.2 NC(=O)OCCSCC=O 62a_200015260668_200011214921 [1,1,0,0,0,0|2,0,0]=4 543 B9R0.2 O=C(O)CNCCCCF 269956a_100016091260_100000729493 [1,1,0,0,0,0|1,0,1]=4 544 B9R0.2 O=C(O)CNCCCCO 269956a_100016091260_100000210776 [1,1,0,0,0,0|0,0,2]=4 545 B9R0.2 O=CCCCNCC(=O)O 269956a_100016091260_200011292268 [1,1,0,0,0,0|0,0,0]=2 546 B9R0.2 O=CCCCSCC(=O)[O-] 62a_100020667443_200011292268 [1,1,0,0,0,0|0,0,1]=3 547 B9R0.2 O=CCCCSCC(=O)[O-] 62a_200011292268_100020667443 [1,1,0,0,0,0|0,0,1]=3 548 B9R0.2 O=CCCCSC[N+](=O)[O-] 62a_200011292268_100000761209 [1,1,0,0,0,0|1,0,1]=4 549 B9R0.2 O=CCOCCC[N+](=O)[O-] 34a_200000037920_200009817547 [1,1,0,0,0,0|1,0,1]=4 550 B9R0.4 C=CCCN(C)CC(=O)O 269956a_100000746989_100000754431 [1,1,0,0,0,0|2,0,0]=4 551 B9R0.48 CN(CC=O)CCC(=O)N 2230a_100000730477_200015260668 [1,1,0,0,0,0|2,0,0]=4 552 B9R0.55 C=C(C)CCNCC(=O)O 269956a_100016091260_100000730704 [1,1,0,0,0,0|2,0,0]=4 553 B9R0.55 CC(=O)CCCCB(O)O 1458a_100000070787_200009817182 [1,1,0,0,0,0|1,0,1]=4 554 B9R0.55 CC(=O)CCCCC(=O)C 1458a_100000070787_100000735457 [1,1,0,0,0,0|1,0,0]=3 555 B9R0.55 CC(=O)CCCNC(=O)C 1458a_100000194741_200000210301 [1,1,0,0,0,0|2,0,0]=4 556 B9R0.55 CC(=O)CCCOC(=O)C 1458a_100000070787_100000042594 [1,1,0,0,0,0|2,0,0]=4 557 B9R0.55 CC(=O)CCCSC(=O)C 1458a_100000070787_100000038929 [1,1,0,0,0,0|2,0,0]=4 558 B9R0.55 CC(=O)CCNCC(=O)O 269956a_100016091260_100000053229 [1,1,0,0,0,0|1,0,0]=3 559 B9R0.55 CC(=O)CCOCC(=O)N 1458a_100000070787_100000076697 [1,1,0,0,0,0|2,0,0]=4 560 B9R0.55 CC(=O)CCOCC(=O)N 34a_100000759926_100000187820 [1,1,0,0,0,0|2,0,0]=4 561 B9R0.55 CC(=O)CCOCC(=O)N 7a_100000759926_100000187820 [1,1,0,0,0,0|2,0,0]=4 562 B9R0.55 CC(=O)CCOCC(=O)[O-] 34a_100000759926_100020667443 [1,1,0,0,0,0|1,0,1]=4 563 B9R0.55 CC(=O)CCSCC(=O)N 1458a_100000148550_200000210301 [1,1,0,0,0,0|2,0,0]=4 564 B9R0.55 CC(=O)CCSCC(=O)N 62a_100000053229_100000747473 [1,1,0,0,0,0|2,0,0]=4 565 B9R0.55 CC(=O)CCSCC(=O)N 62a_100000747473_100000053229 [1,1,0,0,0,0|2,0,0]=4 566 B9R0.55 CC(=O)CCSCC(=O)[O-] 62a_100000053229_100020667443 [1,1,0,0,0,0|1,0,1]=4 567 B9R0.55 CC(=O)CCSCC(=O)[O-] 62a_100020667443_100000053229 [1,1,0,0,0,0|1,0,1]=4 568 B9R0.55 CC(=O)COCCC(=O)N 34a_100000211253_100000731001 [1,1,0,0,0,0|2,0,0]=4 569 B9R0.55 CC(=O)NCCCC(=O)N 240690a_100000739312_100015343762 [1,1,0,0,0,0|2,0,0]=4 570 B9R0.55 CC(=O)NCCCC(=O)N 527a_100000739312_100103153847 [1,1,0,0,0,0|2,0,0]=4 571 B9R0.55 CC(=O)NCCCC(=O)[13CH3] 1458a_100000194741_200025704644 [1,1,0,0,0,0|2,0,0]=4 572 B9R0.55 CC(=O)OCNCC(=O)O 269956a_100016091260_100000076356 [1,1,0,0,0,0|2,0,0]=4 573 B9R0.55 NC(=O)CCNCC(=O)N 2230a_100000711301_100000744528 [1,1,0,0,0,0|2,0,0]=4 574 B9R0.55 NC(=O)CCNCC(=O)O 269956a_100016091260_100000744528 [1,1,0,0,0,0|1,0,0]=3 575 B9R0.55 NC(=O)CCOCC(=O)N 34a_100000757172_100000187820 [1,1,0,0,0,0|2,0,0]=4 576 B9R0.55 NC(=O)CCOCC(=O)N 7a_100000757172_100000187820 [1,1,0,0,0,0|2,0,0]=4 577 B9R0.55 NC(=O)CCOCC(=O)[O-] 34a_100000757172_100020667443 [1,1,0,0,0,0|1,0,1]=4 578 B9R0.55 NC(=O)CCSCC(=O)N 62a_100000744528_100000747473 [1,1,0,0,0,0|2,0,0]=4 579 B9R0.55 NC(=O)CCSCC(=O)N 62a_100000747473_100000744528 [1,1,0,0,0,0|2,0,0]=4 580 B9R0.55 NC(=O)CCSCC(=O)[O-] 62a_100000744528_100020667443 [1,1,0,0,0,0|1,0,1]=4 581 B9R0.55 NC(=O)CCSCC(=O)[O-] 62a_100020667443_100000744528 [1,1,0,0,0,0|1,0,1]=4 582 B9R0.55 NC(=O)CNOCC(=O)O 269956a_100000106656_100000187820 [1,1,0,0,0,0|2,0,0]=4 583 B9R0.55 O=C([O-])CNOCC(=O)O 269956a_100000106656_100020667443 [1,1,0,0,0,0|2,0,0]=4 584 B9R0.55 [13CH3]C(=O)CCSCC(=O)N 1458a_100000148550_200025704644 [1,1,0,0,0,0|2,0,0]=4 585 B9R0.6 CC(C(=O)O)N(C)CC=O 269956a_100000749554_200015260668 [1,1,0,0,0,0|2,0,0]=4 586 B9R0.7 C[C@H](NCC(=O)N)C(=O)O 269956a_100000743915_100000187820 [1,1,0,0,0,0|2,0,0]=4 587 B9R0.7 C[C@H](NCC(=O)[O-])C(=O)O 269956a_100000743915_100020667443 [1,1,0,0,0,0|2,0,0]=4 588 B9R0.13 C=C[C@H](NCC=O)C(=O)O 269956a_100016992060_200015260668 [1,1,0,0,0,0|2,0,0]=4 589 B9R0.13 CCCCC(NC)C(=O)N 2230a_106832991635_100000748834 [1,1,0,0,0,0|1,0,1]=4 590 B9R0.13 CCCCC(NC)C(=O)N 34a_100102657272_100000748834 [1,1,0,0,0,0|1,0,1]=4 591 B9R0.13 CCCCC(NC)C(=O)N 7a_106832991635_100000748834 [1,1,0,0,0,0|1,0,1]=4 592 B9R0.13 CCCC[C@H](NC)C(=O)N 2230a_100000124899_200000210301 [1,1,0,0,0,0|1,0,1]=4 593 B9R0.13 CCCC[C@H](NC)C(=O)N 34a_100000124899_200000210301 [1,1,0,0,0,0|1,0,1]=4 594 B9R0.13 CCCC[C@H](N[13CH3])C(=O)N 2230a_100000124899_200025704644 [1,1,0,0,0,0|1,0,1]=4 595 B9R0.13 CCCC[C@H](N[13CH3])C(=O)N 34a_100000124899_200025704644 [1,1,0,0,0,0|1,0,1]=4 596 B9R0.13 CC[C@@H](NCC=O)C(=O)O 269956a_100000747097_200015260668 [1,1,0,0,0,0|2,0,0]=4 597 B9R0.13 CN[C@@H](CCSC)C(=O)O 269956a_100000743919_200000210301 [1,1,0,0,0,0|1,0,1]=4 598 B9R0.13 CN[C@@H](CC[Se]C)C(=O)O 269956a_100020619752_200000210301 [1,1,0,0,0,0|1,0,1]=4 599 B9R0.13 CSCC[C@H](N[13CH3])C(=O)O 269956a_100000743919_200025704644 [1,1,0,0,0,0|1,0,1]=4 600 B9R0.13 C[Se]CC[C@H](N[13CH3])C(=O)O 269956a_100020619752_200025704644 [1,1,0,0,0,0|1,0,1]=4 601 B9R0.13 O=CCNC(CO)C(=O)O 269956a_100000187304_200015260668 [1,1,0,0,0,0|2,0,0]=4 602 B11R0.2 C=CCCNCC(O)CC(=O)O 269956a_100011218706_100000754431 [0,1,0,0,0,1|2,0,0]=4 603 B11R0.2 CC(=O)OC(C)SCCCC=O 62a_100009818208_200011292268 [0,1,0,0,0,1|2,0,0]=4 604 B11R0.2 CC(=O)OC(C)SCCCC=O 62a_200011292268_100009818208 [0,1,0,0,0,1|2,0,0]=4 605 B11R0.2 CN(CCCCC=O)CC(=O)O 269956a_100000746989_100000139335 [0,1,0,0,0,1|2,0,0]=4 606 B11R0.6 CC(=O)CCCN(C)CC(=O)O 269956a_100000746989_100011215641 [0,1,0,0,0,1|2,0,0]=4 607 B11R0.6 CN(CCCC(=O)N)CC(=O)O 269956a_100000746989_100102525003 [0,1,0,0,0,1|2,0,0]=4 608 B11R0.6 NC(=O)CNCC(O)CC(=O)O 269956a_100011218706_100000187820 [0,1,0,0,0,1|2,0,0]=4 609 B11R0.6 O=C([O-])CNCC(O)CC(=O)O 269956a_100011218706_100020667443 [0,1,0,0,0,1|2,0,0]=4 610 B11R0.77 CCN(CCCC=O)CC(=O)O 269956a_100000746405_200011292268 [0,1,0,0,0,1|2,0,0]=4 611 B11R0.139 CC(C(=O)O)N(C)CCCC=O 269956a_100000749554_200011292268 [0,1,0,0,0,1|2,0,0]=4 612 B11R0.154 COC(=O)CN(C)CCCC=O 2230a_100000198492_200011292268 [0,1,0,0,0,1|2,0,0]=4 613 B11R0.154 COC(=O)C[C@@H](O)CSCC=O 62a_100000754131_200015260668 [0,1,0,0,0,1|2,0,0]=4 614 B11R0.154 COC(=O)C[C@@H](O)CSCC=O 62a_200015260668_100000754131 [0,1,0,0,0,1|2,0,0]=4 615 B11R0.125 C=CCCNCC(C)(C)C(=O)O 269956a_100000693527_100000754431 [0,2,0,0,0,0|2,0,0]=4 616 B11R0.125 C=CCCNCC(F)(F)C(=O)O 269956a_100000734215_100000754431 [0,2,0,0,0,0|2,0,0]=4 617 B11R0.125 CC(=O)C(C)(C)OCCCC=O 7a_100000747739_200011292268 [0,2,0,0,0,0|2,0,0]=4 618 B11R0.125 CC(=O)C(C)(C)SCCCC=O 62a_100000075568_200011292268 [0,2,0,0,0,0|2,0,0]=4 619 B11R0.125 CC(=O)C(C)(C)SCCCC=O 62a_200011292268_100000075568 [0,2,0,0,0,0|2,0,0]=4 620 B11R0.125 CC(C)(NCCCC=O)C(=O)N 2230a_100000743658_200011292268 [0,2,0,0,0,0|2,0,0]=4 621 B11R0.125 CC(C)(OCCCC=O)C(=O)N 7a_100011626353_200011292268 [0,2,0,0,0,0|2,0,0]=4 622 B11R0.125 CC(C)(SCCCC=O)C(=O)N 62a_100000702505_200011292268 [0,2,0,0,0,0|2,0,0]=4 623 B11R0.125 CC(C)(SCCCC=O)C(=O)N 62a_200011292268_100000702505 [0,2,0,0,0,0|2,0,0]=4 624 B11R0.125 NC(=O)C(F)(F)SCCCC=O 62a_100009811971_200011292268 [0,2,0,0,0,0|2,0,0]=4 625 B11R0.125 NC(=O)C(F)(F)SCCCC=O 62a_200011292268_100009811971 [0,2,0,0,0,0|2,0,0]=4 626 B11R0.125 O=CCCCSC(F)(F)C(=O)[O-] 62a_100000745680_200011292268 [0,2,0,0,0,0|1,0,1]=4 627 B11R0.125 O=CCCCSC(F)(F)C(=O)[O-] 62a_200011292268_100000745680 [0,2,0,0,0,0|1,0,1]=4 628 B11R0.202 CC(C)(CNCC(=O)N)C(=O)O 269956a_100000693527_100000187820 [0,2,0,0,0,0|2,0,0]=4 629 B11R0.202 CC(C)(CNCC(=O)[O-])C(=O)O 269956a_100000693527_100020667443 [0,2,0,0,0,0|2,0,0]=4 630 B11R0.202 NC(=O)CNCC(F)(F)C(=O)O 269956a_100000734215_100000187820 [0,2,0,0,0,0|2,0,0]=4 631 B11R0.202 O=C([O-])CNCC(F)(F)C(=O)O 269956a_100000734215_100020667443 [0,2,0,0,0,0|2,0,0]=4 632 B11R0.326 COC(=O)C(C)(C)COCC=O 34a_100000709632_200009817547 [0,2,0,0,0,0|2,0,0]=4 633 B11R0.326 COC(=O)C(C)(C)COCC=O 7a_100000709632_200015260668 [0,2,0,0,0,0|2,0,0]=4 634 B11R0.326 COC(=O)C(C)(C)CSCC=O 62a_100000684552_200015260668 [0,2,0,0,0,0|2,0,0]=4 635 B11R0.326 COC(=O)C(C)(C)CSCC=O 62a_200015260668_100000684552 [0,2,0,0,0,0|2,0,0]=4 636 B11R0.326 COC(=O)C(F)(F)CSCC=O 62a_100010295740_200015260668 [0,2,0,0,0,0|2,0,0]=4 637 B11R0.326 COC(=O)C(F)(F)CSCC=O 62a_200015260668_100010295740 [0,2,0,0,0,0|2,0,0]=4 638 B11R0.29 C=C(C)CCNCC(C)C(=O)O 269956a_100000749485_100000730704 [0,2,0,0,0,0|2,0,0]=4 639 B11R0.29 C=C(C)CCNCC(F)C(=O)O 269956a_100000084737_100000730704 [0,2,0,0,0,0|2,0,0]=4 640 B11R0.29 C=C(C)CCOC[C@H](N)C(=O)N 34a_100000729942_100000730704 [0,2,0,0,0,0|2,0,0]=4 641 B11R0.29 CC(=O)C(C)COCCC(=O)N 34a_100000032740_100000731001 [0,2,0,0,0,0|2,0,0]=4 642 B11R0.29 CC(=O)C(C)COCCC(=O)N 7a_100000032740_100000744528 [0,2,0,0,0,0|2,0,0]=4 643 B11R0.29 CC(=O)C(C)OCCCC(=O)N 34a_100000212229_100102525003 [0,2,0,0,0,0|2,0,0]=4 644 B11R0.29 CC(=O)C(C)SCCCC(=O)N 62a_100009814033_100102525003 [0,2,0,0,0,0|2,0,0]=4 645 B11R0.29 CC(=O)C(C)SCCCC(=O)N 62a_100102525003_100009814033 [0,2,0,0,0,0|2,0,0]=4 646 B11R0.29 CC(=O)CCCN[C@@H](C)C(=O)O 269956a_100000743915_100011215641 [0,2,0,0,0,0|1,0,0]=3 647 B11R0.29 CC(=O)CCCN[C@H](C)C(=O)N 34a_100000119354_100000685027 [0,2,0,0,0,0|2,0,0]=4 648 B11R0.29 CC(=O)CCCOC(C)C(=O)C 34a_100000212229_100000685027 [0,2,0,0,0,0|2,0,0]=4 649 B11R0.29 CC(=O)CCCOC(C)C(=O)C 7a_100000759063_100000179758 [0,2,0,0,0,0|2,0,0]=4 650 B11R0.29 CC(=O)CCCOC(C)C(=O)N 34a_100000759063_100000702099 [0,2,0,0,0,0|2,0,0]=4 651 B11R0.29 CC(=O)CCCOC(C)C(=O)N 7a_100000759063_100000702099 [0,2,0,0,0,0|2,0,0]=4 652 B11R0.29 CC(=O)CCCOC(F)C(=O)N 34a_100000759063_100009813875 [0,2,0,0,0,0|2,0,0]=4 653 B11R0.29 CC(=O)CCCOC(F)C(=O)N 7a_100000759063_100009813875 [0,2,0,0,0,0|2,0,0]=4 654 B11R0.29 CC(=O)CCCOC(F)C(=O)[O-] 34a_100000759063_100020610796 [0,2,0,0,0,0|1,0,1]=4 655 B11R0.29 CC(=O)CCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100011215641 [0,2,0,0,0,0|1,0,1]=4 656 B11R0.29 CC(=O)CCCO[C@H](C)C(=O)N 34a_100000731257_100000685027 [0,2,0,0,0,0|2,0,0]=4 657 B11R0.29 CC(=O)CCCO[C@H](C)C(=O)N 7a_100000731257_100011215641 [0,2,0,0,0,0|2,0,0]=4 658 B11R0.29 CC(=O)CCCSC(C)C(=O)C 62a_100009814033_100011215641 [0,2,0,0,0,0|2,0,0]=4 659 B11R0.29 CC(=O)CCCSC(C)C(=O)C 62a_100011215641_100009814033 [0,2,0,0,0,0|2,0,0]=4 660 B11R0.29 CC(=O)CCCSC(C)C(=O)N 62a_100000702099_100011215641 [0,2,0,0,0,0|2,0,0]=4 661 B11R0.29 CC(=O)CCCSC(C)C(=O)N 62a_100011215641_100000702099 [0,2,0,0,0,0|2,0,0]=4 662 B11R0.29 CC(=O)CCCSC(F)C(=O)N 62a_100009813875_100011215641 [0,2,0,0,0,0|2,0,0]=4 663 B11R0.29 CC(=O)CCCSC(F)C(=O)N 62a_100011215641_100009813875 [0,2,0,0,0,0|2,0,0]=4 664 B11R0.29 CC(=O)CCCSC(F)C(=O)[O-] 62a_100011215641_100020610796 [0,2,0,0,0,0|1,0,1]=4 665 B11R0.29 CC(=O)CCCSC(F)C(=O)[O-] 62a_100020610796_100011215641 [0,2,0,0,0,0|1,0,1]=4 666 B11R0.29 CC(=O)CCNCC(C)C(=O)O 269956a_100000749485_100000053229 [0,2,0,0,0,0|1,0,0]=3 667 B11R0.29 CC(=O)CCNCC(F)C(=O)O 269956a_100000084737_100000053229 [0,2,0,0,0,0|1,0,0]=3 668 B11R0.29 CC(=O)CCOCC(C)C(=O)C 7a_100000032740_100000053229 [0,2,0,0,0,0|2,0,0]=4 669 B11R0.29 CC(=O)NCCN[C@@H](C)C(=O)O 269956a_100000743915_100000189650 [0,2,0,0,0,0|2,0,0]=4 670 B11R0.29 CC(=O)OCCN[C@@H](C)C(=O)O 269956a_100000743915_100009814007 [0,2,0,0,0,0|2,0,0]=4 671 B11R0.29 CC(=O)OCNCC(C)C(=O)O 269956a_100000749485_100000076356 [0,2,0,0,0,0|2,0,0]=4 672 B11R0.29 CC(=O)OCNCC(F)C(=O)O 269956a_100000084737_100000076356 [0,2,0,0,0,0|2,0,0]=4 673 B11R0.29 CC(=O)OCOC[C@H](N)C(=O)N 34a_100000729942_100009813279 [0,2,0,0,0,0|2,0,0]=4 674 B11R0.29 CC(CNCCC(=O)N)C(=O)O 269956a_100000749485_100000744528 [0,2,0,0,0,0|1,0,0]=3 675 B11R0.29 CC(NCCCC(=O)N)C(=O)N 34a_100000739312_100000702099 [0,2,0,0,0,0|2,0,0]=4 676 B11R0.29 CC(SCCCC(=O)N)C(=O)N 62a_100000702099_100102525003 [0,2,0,0,0,0|2,0,0]=4 677 B11R0.29 CC(SCCCC(=O)N)C(=O)N 62a_100102525003_100000702099 [0,2,0,0,0,0|2,0,0]=4 678 B11R0.29 C[C@@H](NCCCC(=O)N)C(=O)N 34a_100000119354_100102525003 [0,2,0,0,0,0|2,0,0]=4 679 B11R0.29 C[C@@H](OCCCC(=O)N)C(=O)N 34a_100000731257_100102525003 [0,2,0,0,0,0|2,0,0]=4 680 B11R0.29 C[C@@H](OCCCC(=O)N)C(=O)N 7a_100000731257_100102525003 [0,2,0,0,0,0|2,0,0]=4 681 B11R0.29 C[C@H](NCCCC(=O)N)C(=O)O 269956a_100000743915_100102525003 [0,2,0,0,0,0|1,0,0]=3 682 B11R0.29 C[C@H](NCCNC(=O)N)C(=O)O 269956a_100000743915_200000034859 [0,2,0,0,0,0|2,0,0]=4 683 B11R0.29 C[C@H](OCCCC(=O)N)C(=O)[O-] 7a_217856618621_100102525003 [0,2,0,0,0,0|1,0,1]=4 684 B11R0.29 NC(=O)CCCNC(F)C(=O)N 34a_100000739312_100009813875 [0,2,0,0,0,0|2,0,0]=4 685 B11R0.29 NC(=O)CCCNC(F)C(=O)[O-] 34a_100000739312_100020610796 [0,2,0,0,0,0|1,0,1]=4 686 B11R0.29 NC(=O)CCCSC(F)C(=O)N 62a_100009813875_100102525003 [0,2,0,0,0,0|2,0,0]=4 687 B11R0.29 NC(=O)CCCSC(F)C(=O)N 62a_100102525003_100009813875 [0,2,0,0,0,0|2,0,0]=4 688 B11R0.29 NC(=O)CCCSC(F)C(=O)[O-] 62a_100020610796_100102525003 [0,2,0,0,0,0|1,0,1]=4 689 B11R0.29 NC(=O)CCCSC(F)C(=O)[O-] 62a_100102525003_100020610796 [0,2,0,0,0,0|1,0,1]=4 690 B11R0.29 NC(=O)CCNCC(F)C(=O)O 269956a_100000084737_100000744528 [0,2,0,0,0,0|1,0,0]=3 691 B11R0.29 NC(=O)CCOC[C@H](N)C(=O)N 34a_100000729942_100000731001 [0,2,0,0,0,0|1,0,0]=3 692 B11R0.42 C=CCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100011215482 [0,2,0,0,0,0|2,0,0]=4 693 B11R0.42 C=CCCCNCC(C)C(=O)O 269956a_100000749485_100011713584 [0,2,0,0,0,0|2,0,0]=4 694 B11R0.42 C=CCCCNCC(F)C(=O)O 269956a_100000084737_100011713584 [0,2,0,0,0,0|2,0,0]=4 695 B11R0.42 C=CCCCOC[C@H](N)C(=O)N 34a_100000729942_100000757094 [0,2,0,0,0,0|2,0,0]=4 696 B11R0.42 C=COCCNCC(C)C(=O)O 269956a_100000749485_100000039644 [0,2,0,0,0,0|2,0,0]=4 697 B11R0.42 C=COCCNCC(F)C(=O)O 269956a_100000084737_100000039644 [0,2,0,0,0,0|2,0,0]=4 698 B11R0.42 C=COCCOC[C@H](N)C(=O)N 34a_100000729942_100000039644 [0,2,0,0,0,0|2,0,0]=4 699 B11R0.42 CC(=O)C(C)COCCCC=O 7a_100000032740_200011292268 [0,2,0,0,0,0|2,0,0]=4 700 B11R0.42 CC(=O)C(C)SCCCCC=O 62a_100000139335_100009814033 [0,2,0,0,0,0|2,0,0]=4 701 B11R0.42 CC(=O)C(C)SCCCCC=O 62a_100009814033_100000139335 [0,2,0,0,0,0|2,0,0]=4 702 B11R0.42 CC(CNCCCC=O)C(=O)O 269956a_100000749485_200011292268 [0,2,0,0,0,0|1,0,0]=3 703 B11R0.42 CC(SCCCCC=O)C(=O)N 62a_100000139335_100000702099 [0,2,0,0,0,0|2,0,0]=4 704 B11R0.42 CC(SCCCCC=O)C(=O)N 62a_100000702099_100000139335 [0,2,0,0,0,0|2,0,0]=4 705 B11R0.42 C[C@@H](NCCCCC=O)C(=O)N 2230a_100000119354_100000139335 [0,2,0,0,0,0|2,0,0]=4 706 B11R0.42 C[C@@H](OCCCCC=O)C(=O)N 7a_100000731257_100000139335 [0,2,0,0,0,0|2,0,0]=4 707 B11R0.42 C[C@H](NCCCCC=O)C(=O)O 269956a_100000743915_100000139335 [0,2,0,0,0,0|1,0,0]=3 708 B11R0.42 C[C@H](OCCCCC=O)C(=O)[O-] 7a_217856618621_100000139335 [0,2,0,0,0,0|1,0,1]=4 709 B11R0.42 NC(=O)C(F)SCCCCC=O 62a_100000139335_100009813875 [0,2,0,0,0,0|2,0,0]=4 710 B11R0.42 NC(=O)C(F)SCCCCC=O 62a_100009813875_100000139335 [0,2,0,0,0,0|2,0,0]=4 711 B11R0.42 O=CCCCCSC(F)C(=O)[O-] 62a_100000139335_100020610796 [0,2,0,0,0,0|1,0,1]=4 712 B11R0.42 O=CCCCCSC(F)C(=O)[O-] 62a_100020610796_100000139335 [0,2,0,0,0,0|1,0,1]=4 713 B11R0.42 O=CCCCNCC(F)C(=O)O 269956a_100000084737_200011292268 [0,2,0,0,0,0|1,0,0]=3 714 B11R0.76 C=CCCCNC(CO)C(=O)O 269956a_100000187304_100011713584 [0,2,0,0,0,0|2,0,0]=4 715 B11R0.76 C=CCCCN[C@@H](C=C)C(=O)O 269956a_100016992060_100011713584 [0,2,0,0,0,0|2,0,0]=4 716 B11R0.76 C=CCCCN[C@H](CC)C(=O)O 269956a_100000747097_100011713584 [0,2,0,0,0,0|2,0,0]=4 717 B11R0.76 C=C[C@H](NCCCC=O)C(=O)O 269956a_100016992060_200011292268 [0,2,0,0,0,0|1,0,0]=3 718 B11R0.76 CCC(NCCCC=O)C(=O)N 2230a_100000733705_200011292268 [0,2,0,0,0,0|2,0,0]=4 719 B11R0.76 CCC(SCCCC=O)C(=O)N 62a_100000750255_200011292268 [0,2,0,0,0,0|2,0,0]=4 720 B11R0.76 CCC(SCCCC=O)C(=O)N 62a_200011292268_100000750255 [0,2,0,0,0,0|2,0,0]=4 721 B11R0.76 CC[C@@H](NCCCC=O)C(=O)O 269956a_100000747097_200011292268 [0,2,0,0,0,0|1,0,0]=3 722 B11R0.76 N#CC(NCCCC=O)C(=O)N 2230a_100000039599_200011292268 [0,2,0,0,0,0|1,0,1]=4 723 B11R0.76 NC(=O)[C@H](CO)NCCCC=O 2230a_100000729942_200011292268 [0,2,0,0,0,0|2,0,0]=4 724 B11R0.76 O=CCCCNC(CO)C(=O)O 269956a_100000187304_200011292268 [0,2,0,0,0,0|1,0,0]=3 725 B11R0.109 C=CC(O)CNCC(C)C(=O)O 269956a_100000749485_100000730141 [0,2,0,0,0,0|2,0,0]=4 726 B11R0.109 C=CC(O)CNCC(F)C(=O)O 269956a_100000084737_100000730141 [0,2,0,0,0,0|2,0,0]=4 727 B11R0.109 C=CC(O)COC[C@H](N)C(=O)N 34a_100000729942_100000730141 [0,2,0,0,0,0|2,0,0]=4 728 B11R0.109 CCC(=O)CNCC(C)C(=O)O 269956a_100000749485_100000747405 [0,2,0,0,0,0|2,0,0]=4 729 B11R0.109 CCC(=O)CNCC(F)C(=O)O 269956a_100000084737_100000747405 [0,2,0,0,0,0|2,0,0]=4 730 B11R0.109 CNC(=O)CCN[C@@H](C)C(=O)O 269956a_100000743915_100000737683 [0,2,0,0,0,0|2,0,0]=4 731 B11R0.109 CNC(=O)CNCC(C)C(=O)O 269956a_100000749485_100000183359 [0,2,0,0,0,0|2,0,0]=4 732 B11R0.109 CNC(=O)CNCC(F)C(=O)O 269956a_100000084737_100000183359 [0,2,0,0,0,0|2,0,0]=4 733 B11R0.109 CNC(=O)COC[C@H](N)C(=O)N 34a_100000729942_100000183359 [0,2,0,0,0,0|2,0,0]=4 734 B11R0.109 COC(=O)CCN[C@@H](C)C(=O)O 269956a_100000743915_100000204255 [0,2,0,0,0,0|2,0,0]=4 735 B11R0.109 COC(=O)CNCC(C)C(=O)O 269956a_100000749485_100000747449 [0,2,0,0,0,0|2,0,0]=4 736 B11R0.109 COC(=O)CNCC(F)C(=O)O 269956a_100000084737_100000747449 [0,2,0,0,0,0|2,0,0]=4 737 B11R0.109 COC(=O)COC[C@H](N)C(=O)N 34a_100000729942_100000747449 [0,2,0,0,0,0|2,0,0]=4 738 B11R0.142 C#CCCOC[C@@H](N)C(=O)OC 34a_100000003586_100000688953 [0,2,0,0,0,0|1,0,1]=4 739 B11R0.142 C/C=C/COC[C@@H](N)C(=O)OC 34a_100000003586_100102629194 [0,2,0,0,0,0|1,0,1]=4 740 B11R0.142 C=CCCCNC(C)C(=O)OC 2230a_100000700776_100000211248 [0,2,0,0,0,0|2,0,0]=4 741 B11R0.142 C=CCCCNC(C)C(=O)OC 34a_100000700776_100000211248 [0,2,0,0,0,0|2,0,0]=4 742 B11R0.142 C=CCCCOC(C)C(=O)OC 34a_100000758997_100000211248 [0,2,0,0,0,0|2,0,0]=4 743 B11R0.142 C=CCCCOC(C)C(=O)OC 34a_100011215400_100000757094 [0,2,0,0,0,0|2,0,0]=4 744 B11R0.142 C=CCCCOC(C)C(=O)OC 7a_100000758997_100000211248 [0,2,0,0,0,0|2,0,0]=4 745 B11R0.142 C=CCCCSC(C)C(=O)OC 62a_100000211248_100000757094 [0,2,0,0,0,0|2,0,0]=4 746 B11R0.142 C=CCCCSC(C)C(=O)OC 62a_100011713584_100000211248 [0,2,0,0,0,0|2,0,0]=4 747 B11R0.142 C=CCCOCC(C)C(=O)OC 34a_100000749362_100000754431 [0,2,0,0,0,0|2,0,0]=4 748 B11R0.142 C=CCCOCC(C)C(=O)OC 34a_100011205117_100000698445 [0,2,0,0,0,0|2,0,0]=4 749 B11R0.142 C=CCCOCC(C)C(=O)OC 7a_100000749362_100000754431 [0,2,0,0,0,0|2,0,0]=4 750 B11R0.142 C=CCCOCC(F)C(=O)OC 34a_200009849844_100000754431 [0,2,0,0,0,0|2,0,0]=4 751 B11R0.142 C=CCCOCC(N)C(=O)NN 34a_100016989258_100000754431 [0,2,0,0,0,0|2,0,0]=4 752 B11R0.142 C=CCCOC[C@@H](N)C(=O)OC 34a_100000003586_100000754431 [0,2,0,0,0,0|1,0,0]=3 753 B11R0.142 C=CCCSCC(C)C(=O)OC 62a_100000698445_100000754431 [0,2,0,0,0,0|2,0,0]=4 754 B11R0.142 C=CCCSCC(C)C(=O)OC 62a_100000754431_100000698445 [0,2,0,0,0,0|2,0,0]=4 755 B11R0.142 C=CCNCCC(C)C(=O)OC 2230a_100020586998_100000034942 [0,2,0,0,0,0|2,0,0]=4 756 B11R0.142 C=CCOCCC(C)C(=O)OC 34a_200000210373_100000034942 [0,2,0,0,0,0|2,0,0]=4 757 B11R0.142 C=CCSCCC(C)C(=O)OC 62a_100000034942_100000210623 [0,2,0,0,0,0|2,0,0]=4 758 B11R0.142 C=CCSCCC(C)C(=O)OC 62a_100000210623_100000034942 [0,2,0,0,0,0|2,0,0]=4 759 B11R0.142 CC=CCOC[C@@H](N)C(=O)OC 34a_100000003586_100000070051 [0,2,0,0,0,0|1,0,1]=4 760 B11R0.142 CCC(=O)C(C)SCCCC=O 62a_100000742827_200011292268 [0,2,0,0,0,0|2,0,0]=4 761 B11R0.142 CCC(=O)C(C)SCCCC=O 62a_200011292268_100000742827 [0,2,0,0,0,0|2,0,0]=4 762 B11R0.142 CCCCOC[C@@H](N)C(=O)OC 34a_100000003586_100000210210 [0,2,0,0,0,0|1,0,1]=4 763 B11R0.142 CNC(=O)C(C)SCCCC=O 62a_100000209862_200011292268 [0,2,0,0,0,0|2,0,0]=4 764 B11R0.142 CNC(=O)C(C)SCCCC=O 62a_200011292268_100000731044 [0,2,0,0,0,0|2,0,0]=4 765 B11R0.142 CNC(=O)C(F)SCCCC=O 62a_100009813575_200011292268 [0,2,0,0,0,0|2,0,0]=4 766 B11R0.142 CNC(=O)C(F)SCCCC=O 62a_200011292268_100009813575 [0,2,0,0,0,0|2,0,0]=4 767 B11R0.142 CNC(=O)[C@@H](C)NCCCC=O 2230a_100000684985_200011292268 [0,2,0,0,0,0|2,0,0]=4 768 B11R0.142 COC(=O)C(C)CCSCC=O 62a_100000034942_200015260668 [0,2,0,0,0,0|1,0,0]=3 769 B11R0.142 COC(=O)C(C)CCSCC=O 62a_200015260668_100000034942 [0,2,0,0,0,0|1,0,0]=3 770 B11R0.142 COC(=O)C(C)SCCCC=O 62a_100000211248_200011292268 [0,2,0,0,0,0|1,0,0]=3 771 B11R0.142 COC(=O)C(C)SCCCC=O 62a_200011292268_100000211248 [0,2,0,0,0,0|1,0,0]=3 772 B11R0.142 COC(=O)[C@H](N)COCCCF 34a_100000003586_100011934791 [0,2,0,0,0,0|1,0,1]=4 773 B11R0.142 COC(=O)[C@H](N)COCCCO 34a_100000003586_100000230001 [0,2,0,0,0,0|0,0,2]=4 774 B11R0.142 COC(=O)[C@H](N)COCCSC 34a_100000003586_100000212216 [0,2,0,0,0,0|2,0,0]=4 775 B11R0.142 COCCOC[C@@H](N)C(=O)OC 34a_100000003586_100011201679 [0,2,0,0,0,0|2,0,0]=4 776 B11R0.73 C=CCO[C@H](C)[C@H](N)C(=O)OC 34a_100000004424_100015514636 [0,2,0,0,0,0|2,0,0]=4 777 B11R0.73 CNC(=O)[C@@H](N)[C@@H](C)OCC=O 34a_100102634413_200009817547 [0,2,0,0,0,0|2,0,0]=4 778 B11R0.73 COC(=O)[C@@H](N)[C@@H](C)OCC=O 34a_100000004424_200009817547 [0,2,0,0,0,0|1,0,0]=3 779 B11R0.173 CC(=O)CCN(C)C(C)C(=O)O 269956a_100000749554_100000053229 [0,2,0,0,0,0|2,0,0]=4 780 B11R0.173 CC(C(=O)O)N(C)CCC(=O)N 269956a_100000749554_100000744528 [0,2,0,0,0,0|2,0,0]=4 781 B11R0.173 C[C@@H](OCC(=O)N)[C@H](N)C(=O)N 34a_100000003557_100000187820 [0,2,0,0,0,0|2,0,0]=4 782 B11R0.173 C[C@@H](OCC(=O)[O-])[C@H](N)C(=O)N 34a_100000003557_100020667443 [0,2,0,0,0,0|2,0,0]=4 783 B11R0.21 CC(CNC(C=O)C=O)C(=O)O 269956a_100000749485_100011218033 [0,2,0,0,0,0|2,0,0]=4 784 B11R0.21 NC(=O)[C@@H](N)COC(C=O)C=O 34a_100000729942_100000736813 [0,2,0,0,0,0|2,0,0]=4 785 B11R0.21 O=CC(C=O)NCC(F)C(=O)O 269956a_100000084737_100011218033 [0,2,0,0,0,0|2,0,0]=4 786 B11R0.150 CC(=O)C(C)NCC(C)C(=O)O 269956a_100000749485_100009814033 [0,2,0,0,0,0|2,0,0]=4 787 B11R0.150 CC(=O)C(C)NCC(F)C(=O)O 269956a_100000084737_100009814033 [0,2,0,0,0,0|2,0,0]=4 788 B11R0.150 CC(OC[C@H](N)C(=O)N)C(=O)N 34a_100000729942_100000702099 [0,2,0,0,0,0|2,0,0]=4 789 B11R0.150 NC(=O)C(F)OC[C@H](N)C(=O)N 34a_100000729942_100009813875 [0,2,0,0,0,0|2,0,0]=4 790 B11R0.150 NC(=O)[C@@H](N)COC(F)C(=O)[O-] 34a_100000729942_100020610796 [0,2,0,0,0,0|2,0,0]=4 791 B11R0.75 C=CCCOC(CN)C(=O)OC 34a_100000695228_100000754431 [0,2,0,0,0,0|2,0,0]=4 792 B11R0.145 C=C(C)COC[C@@H](N)C(=O)OC 34a_100000003586_100000748629 [0,2,0,0,0,0|2,0,0]=4 793 B11R0.145 C=C(F)COC[C@@H](N)C(=O)OC 34a_100000003586_100009893438 [0,2,0,0,0,0|2,0,0]=4 794 B11R0.145 COC(=O)C(C)COCC(=O)C 34a_100000211253_100000698445 [0,2,0,0,0,0|2,0,0]=4 795 B11R0.145 COC(=O)C(C)COCC(=O)N 34a_100000749362_100000187820 [0,2,0,0,0,0|2,0,0]=4 796 B11R0.145 COC(=O)C(C)COCC(=O)N 7a_100000749362_100000187820 [0,2,0,0,0,0|2,0,0]=4 797 B11R0.145 COC(=O)C(C)COCC(=O)[O-] 34a_100000749362_100020667443 [0,2,0,0,0,0|2,0,0]=4 798 B11R0.145 COC(=O)C(C)CSCC(=O)N 62a_100000698445_100000747473 [0,2,0,0,0,0|2,0,0]=4 799 B11R0.145 COC(=O)C(C)CSCC(=O)N 62a_100000747473_100000698445 [0,2,0,0,0,0|2,0,0]=4 800 B11R0.145 COC(=O)C(C)CSCC(=O)[O-] 62a_100000698445_100020667443 [0,2,0,0,0,0|2,0,0]=4 801 B11R0.145 COC(=O)C(C)CSCC(=O)[O-] 62a_100020667443_100000698445 [0,2,0,0,0,0|2,0,0]=4 802 B11R0.145 COC(=O)C(C)OCCC(=O)C 34a_100000759926_100000211248 [0,2,0,0,0,0|2,0,0]=4 803 B11R0.145 COC(=O)C(C)OCCC(=O)C 7a_100000759926_100000211248 [0,2,0,0,0,0|2,0,0]=4 804 B11R0.145 COC(=O)C(C)OCCC(=O)N 34a_100000757172_100000211248 [0,2,0,0,0,0|2,0,0]=4 805 B11R0.145 COC(=O)C(C)OCCC(=O)N 34a_100011215400_100000731001 [0,2,0,0,0,0|2,0,0]=4 806 B11R0.145 COC(=O)C(C)OCCC(=O)N 7a_100000757172_100000211248 [0,2,0,0,0,0|2,0,0]=4 807 B11R0.145 COC(=O)C(C)SCCC(=O)C 62a_100000053229_100000211248 [0,2,0,0,0,0|2,0,0]=4 808 B11R0.145 COC(=O)C(C)SCCC(=O)C 62a_100000211248_100000053229 [0,2,0,0,0,0|2,0,0]=4 809 B11R0.145 COC(=O)C(C)SCCC(=O)N 62a_100000211248_100000744528 [0,2,0,0,0,0|2,0,0]=4 810 B11R0.145 COC(=O)C(C)SCCC(=O)N 62a_100000744528_100000211248 [0,2,0,0,0,0|2,0,0]=4 811 B11R0.145 COC(=O)C(F)COCC(=O)N 34a_200009849844_100000187820 [0,2,0,0,0,0|2,0,0]=4 812 B11R0.145 COC(=O)C(F)COCC(=O)[O-] 34a_200009849844_100020667443 [0,2,0,0,0,0|2,0,0]=4 813 B11R0.145 COC(=O)N(C)CCCC(=O)C 1458a_100000752137_200000210301 [0,2,0,0,0,0|2,0,0]=4 814 B11R0.145 COC(=O)N(C)CCCC(=O)[13CH3] 1458a_100000752137_200025704644 [0,2,0,0,0,0|2,0,0]=4 815 B11R0.145 COC(=O)[C@H](N)COCC(=O)N 34a_100000003586_100000187820 [0,2,0,0,0,0|1,0,0]=3 816 B11R0.145 COC(=O)[C@H](N)COCC(=O)[O-] 34a_100000003586_100020667443 [0,2,0,0,0,0|1,0,0]=3 817 B11R0.145 COC(=O)[C@H](N)COC[N+](=O)[O-] 34a_100000003586_100000761209 [0,2,0,0,0,0|2,0,0]=4 818 B11R0.145 NNC(=O)C(N)COCC(=O)N 34a_100016989258_100000187820 [0,2,0,0,0,0|2,0,0]=4 819 B11R0.145 NNC(=O)C(N)COCC(=O)[O-] 34a_100016989258_100020667443 [0,2,0,0,0,0|2,0,0]=4 820 B11R0.273 C=C[C@H](NCCC(=O)C)C(=O)O 269956a_100016992060_100000053229 [0,2,0,0,0,0|2,0,0]=4 821 B11R0.273 C=C[C@H](NCCC(=O)N)C(=O)O 269956a_100016992060_100000744528 [0,2,0,0,0,0|2,0,0]=4 822 B11R0.273 CC(=O)CCNC(CO)C(=O)O 269956a_100000187304_100000053229 [0,2,0,0,0,0|2,0,0]=4 823 B11R0.273 CC[C@@H](NCCC(=O)C)C(=O)O 269956a_100000747097_100000053229 [0,2,0,0,0,0|2,0,0]=4 824 B11R0.273 CC[C@@H](NCCC(=O)N)C(=O)O 269956a_100000747097_100000744528 [0,2,0,0,0,0|2,0,0]=4 825 B11R0.273 NC(=O)CCNC(CO)C(=O)O 269956a_100000187304_100000744528 [0,2,0,0,0,0|2,0,0]=4 826 B9R1.6 CC(=O)C1C=CCCC1 1458a_100000070787_100000751183 [1,0,0,1,0,0|2,0,0]=4 827 B9R1.9 O=CCSC1CC(=O)C1 62a_100009894365_200015260668 [1,0,0,1,0,0|2,0,0]=4 828 B9R1.13 CC(=O)CC1C=CCC1 1458a_100000212241_200000210301 [1,0,0,1,0,0|2,0,0]=4 829 B9R1.13 [13CH3]C(=O)CC1C=CCC1 1458a_100000212241_200025704644 [1,0,0,1,0,0|2,0,0]=4 830 B9R1.41 CC(=O)C1CCCC1=O 1458a_100000070787_100000211823 [1,0,0,1,0,0|1,0,0]=3 831 B9R1.41 CC(=O)C1CCOC1=O 1458a_100000070787_100000211211 [1,0,0,1,0,0|2,0,0]=4 832 B9R1.41 CN1CCC[C@H]1C(=O)O 269956a_100000743916_200000210301 [1,0,0,1,0,0|2,0,0]=4 833 B9R1.41 [13CH3]N1CCC[C@H]1C(=O)O 269956a_100000743916_200025704644 [1,0,0,1,0,0|2,0,0]=4 834 B9R1.35 CC(=O)C1CCC(=O)N1 1458a_100000210400_200000210301 [1,0,0,1,0,0|1,0,0]=3 835 B9R1.35 CC(=O)C1CNC(=O)N1 1458a_100000033324_200000210301 [1,0,0,1,0,0|2,0,0]=4 836 B9R1.35 CC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_200000210301 [1,0,0,1,0,0|2,0,0]=4 837 B9R1.35 CC(=O)[C@@H]1CSC(=O)N1 1458a_100000735014_200000210301 [1,0,0,1,0,0|2,0,0]=4 838 B9R1.35 [13CH3]C(=O)C1CCC(=O)N1 1458a_100000210400_200025704644 [1,0,0,1,0,0|1,0,0]=3 839 B9R1.35 [13CH3]C(=O)C1CNC(=O)N1 1458a_100000033324_200025704644 [1,0,0,1,0,0|2,0,0]=4 840 B9R1.35 [13CH3]C(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_200025704644 [1,0,0,1,0,0|2,0,0]=4 841 B9R1.35 [13CH3]C(=O)[C@@H]1CSC(=O)N1 1458a_100000735014_200025704644 [1,0,0,1,0,0|2,0,0]=4 842 B11R1.27 O=CCSCC1COC(=O)O1 62a_100000073702_200015260668 [0,0,0,1,0,1|2,0,0]=4 843 B11R1.27 O=CCSCC1COC(=O)O1 62a_200015260668_100000073702 [0,0,0,1,0,1|2,0,0]=4 844 B11R1.27 O=CCSC[C@H]1COC(=O)N1 62a_100015307671_200015260668 [0,0,0,1,0,1|2,0,0]=4 845 B11R1.27 O=CCSC[C@H]1COC(=O)N1 62a_200015260668_100015307671 [0,0,0,1,0,1|2,0,0]=4 846 B11R1.120 O=CCN1CC(C1)CC(=O)O 269956a_100016993960_200015260668 [0,0,0,1,0,1|2,0,0]=4 847 B11R1.141 CN(CC(=O)O)C1CCC1=O 269956a_100000746989_100009892977 [0,0,0,1,0,1|2,0,0]=4 848 B11R1.89 CC(=O)C(C)N1CCCC1=O 1458a_200011194792_200000210301 [0,1,0,1,0,0|2,0,0]=4 849 B11R1.89 CC(C(=O)[13CH3])N1CCCC1=O 1458a_200011194792_200025704644 [0,1,0,1,0,0|2,0,0]=4 850 B11R1.124 NC(=O)C1CCN(C1)CC=O 2230a_100000752358_200015260668 [0,1,0,1,0,0|2,0,0]=4 851 B11R1.124 NC(=O)C1CCN(C1)CC=O 269982a_100000752358_200015260668 [0,1,0,1,0,0|2,0,0]=4 852 B11R1.124 NC(=O)C1CCN(C1)CC=O 34a_100000752358_200009817547 [0,1,0,1,0,0|2,0,0]=4 853 B11R1.153 C[C@H](NC1CC(=O)C1)C(=O)O 269956a_100000743915_100009894365 [0,1,0,1,0,0|2,0,0]=4 854 B11R1.991 O=CCNCC1(CC1)C(=O)O 269956a_100000703410_200015260668 [0,1,0,1,0,0|2,0,0]=4 855 B11R1.142 CC(=O)C(C)OC1CCC1=O 34a_100000212229_100009892977 [0,1,0,1,0,0|2,0,0]=4 856 B11R1.142 CC(=O)C(C)SC1CCC1=O 62a_100009814033_100009892977 [0,1,0,1,0,0|2,0,0]=4 857 B11R1.142 CC(=O)C(C)SC1CCC1=O 62a_100009892977_100009814033 [0,1,0,1,0,0|2,0,0]=4 858 B11R1.142 CC(SC1CCC1=O)C(=O)N 62a_100000702099_100009892977 [0,1,0,1,0,0|2,0,0]=4 859 B11R1.142 CC(SC1CCC1=O)C(=O)N 62a_100009892977_100000702099 [0,1,0,1,0,0|2,0,0]=4 860 B11R1.142 C[C@@H](NC1CCC1=O)C(=O)N 34a_100000119354_100009892977 [0,1,0,1,0,0|2,0,0]=4 861 B11R1.142 C[C@@H](OC1CCC1=O)C(=O)N 34a_100000731257_100009892977 [0,1,0,1,0,0|2,0,0]=4 862 B11R1.142 C[C@@H](OC1CCC1=O)C(=O)N 7a_100000731257_100009892977 [0,1,0,1,0,0|2,0,0]=4 863 B11R1.142 C[C@H](NC1CCC1=O)C(=O)O 269956a_100000743915_100009892977 [0,1,0,1,0,0|1,0,0]=3 864 B11R1.142 C[C@H](OC1CCC1=O)C(=O)[O-] 7a_217856618621_100009892977 [0,1,0,1,0,0|1,0,1]=4 865 B11R1.142 NC(=O)C(F)SC1CCC1=O 62a_100009813875_100009892977 [0,1,0,1,0,0|2,0,0]=4 866 B11R1.142 NC(=O)C(F)SC1CCC1=O 62a_100009892977_100009813875 [0,1,0,1,0,0|2,0,0]=4 867 B11R1.142 O=C([O-])C(F)SC1CCC1=O 62a_100009892977_100020610796 [0,1,0,1,0,0|1,0,1]=4 868 B11R1.142 O=C([O-])C(F)SC1CCC1=O 62a_100020610796_100009892977 [0,1,0,1,0,0|1,0,1]=4 869 B11R1.190 O=CCCCSC1CCC1=O 62a_100009892977_200011292268 [0,1,0,1,0,0|2,0,0]=4 870 B11R1.190 O=CCCCSC1CCC1=O 62a_200011292268_100009892977 [0,1,0,1,0,0|2,0,0]=4 871 B11R1.190 O=CCSCCC1CCC1=O 62a_200015260668_200016118888 [0,1,0,1,0,0|2,0,0]=4 872 B11R1.190 O=CCSCCC1CCC1=O 62a_200016118888_200015260668 [0,1,0,1,0,0|2,0,0]=4 873 B11R1.211 C=CCN[C@H]1C[C@H](C1)C(=O)O 269956a_100000738708_100000210623 [0,1,0,1,0,0|2,0,0]=4 874 B11R1.211 O=CCN[C@H]1C[C@H](C1)C(=O)O 269956a_100000738708_200015260668 [0,1,0,1,0,0|1,0,0]=3 875 B11R1.23 CCC(=O)C1CSCC(=O)N1 1458a_100000045068_100000210202 [0,1,0,1,0,0|2,0,0]=4 876 B11R1.23 CCC(=O)[C@H]1CCCC(=O)N1 1458a_100000705292_100000210202 [0,1,0,1,0,0|1,0,0]=3 877 B11R1.23 CNC(=O)C1CSCC(=O)N1 240690a_100102657272_100000045068 [0,1,0,1,0,0|2,0,0]=4 878 B11R1.23 CNC(=O)C1CSCC(=O)N1 527a_100102657272_100000045068 [0,1,0,1,0,0|2,0,0]=4 879 B11R1.23 CNC(=O)[C@H]1CCCC(=O)N1 240690a_100102657272_100000705292 [0,1,0,1,0,0|1,0,0]=3 880 B11R1.23 CNC(=O)[C@H]1CCCC(=O)N1 527a_100102657272_100000705292 [0,1,0,1,0,0|1,0,0]=3 881 B11R1.23 O=C1CCC[C@@H](N1)C(=O)CF 1458a_100000705292_100015361967 [0,1,0,1,0,0|1,0,0]=3 882 B11R1.23 O=C1CSCC(N1)C(=O)CF 1458a_100000045068_100015361967 [0,1,0,1,0,0|2,0,0]=4 883 B11R1.121 COC(=O)C1CN(C1)CC=O 269982a_100015188540_200015260668 [0,1,0,1,0,0|2,0,0]=4 884 B11R1.159 CC1CCCC(N1C)C(=O)O 269956a_100000704260_200000210301 [0,1,0,1,0,0|1,0,1]=4 885 B11R1.159 CC1CCCC(N1[13CH3])C(=O)O 269956a_100000704260_200025704644 [0,1,0,1,0,0|1,0,1]=4 886 B11R1.298 CN[C@H](C(=O)O)C1CCCC1 269956a_100012017156_200000210301 [0,1,0,1,0,0|1,0,1]=4 887 B11R1.298 [13CH3]N[C@H](C(=O)O)C1CCCC1 269956a_100012017156_200025704644 [0,1,0,1,0,0|1,0,1]=4 888 B11R1.1064 CNC1(CCOC1=O)C(=O)C 34a_100102657272_100000088255 [0,1,0,1,0,0|2,0,0]=4 889 B11R1.1074 CNC1(CCCCC1)C(=O)O 269956a_100000185090_200000210301 [0,1,0,1,0,0|1,0,1]=4 890 B11R1.1074 [13CH3]NC1(CCCCC1)C(=O)O 269956a_100000185090_200025704644 [0,1,0,1,0,0|1,0,1]=4