0 B9R0.47 C#CCNCC(C)C(=O)O 269956a_100000749485_100000184674 [0,0,0,0,0,0|2,0,2]=4 1 B9R0.47 C#CCNCC(F)C(=O)O 269956a_100000084737_100000184674 [0,0,0,0,0,0|2,0,2]=4 2 B9R0.47 C#CCOC[C@H](N)C(=O)N 34a_100000729942_100000184674 [0,0,0,0,0,0|1,1,2]=4 3 B9R0.47 C=CCCNC(C)C(=O)C 2230a_100015191253_100009814033 [0,0,0,0,0,0|4,0,0]=4 4 B9R0.47 C=CCCNC(C)C(=O)N 2230a_100015191253_100000702099 [0,0,0,0,0,0|4,0,0]=4 5 B9R0.47 C=CCCNC(F)C(=O)N 2230a_100015191253_100009813875 [0,0,0,0,0,0|4,0,0]=4 6 B9R0.47 C=CCCN[C@@H](C)C(=O)O 269956a_100000743915_100000754431 [0,0,0,0,0,0|3,0,0]=3 7 B9R0.47 C=CCCN[C@H](C)C(=O)N 2230a_100000119354_100000754431 [0,0,0,0,0,0|4,0,0]=4 8 B9R0.47 C=CCCN[C@H](C)C(=O)N 34a_100000119354_100000754431 [0,0,0,0,0,0|4,0,0]=4 9 B9R0.47 C=CCCOC(C)C(=O)C 34a_100000212229_100000754431 [0,0,0,0,0,0|4,0,0]=4 10 B9R0.47 C=CCCOC(C)C(=O)N 34a_100011205117_100000702099 [0,0,0,0,0,0|4,0,0]=4 11 B9R0.47 C=CCCOC(F)C(=O)N 34a_100011205117_100009813875 [0,0,0,0,0,0|4,0,0]=4 12 B9R0.47 C=CCCOC(F)C(=O)[O-] 34a_100011205117_100020610796 [0,0,0,0,0,0|3,0,1]=4 13 B9R0.47 C=CCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000754431 [0,0,0,0,0,0|3,0,1]=4 14 B9R0.47 C=CCCO[C@H](C)C(=O)N 34a_100000731257_100000754431 [0,0,0,0,0,0|4,0,0]=4 15 B9R0.47 C=CCCO[C@H](C)C(=O)N 7a_100000731257_100000754431 [0,0,0,0,0,0|4,0,0]=4 16 B9R0.47 C=CCCSC(C)C(=O)C 62a_100000754431_100009814033 [0,0,0,0,0,0|4,0,0]=4 17 B9R0.47 C=CCCSC(C)C(=O)C 62a_100009814033_100000754431 [0,0,0,0,0,0|4,0,0]=4 18 B9R0.47 C=CCCSC(C)C(=O)N 62a_100000702099_100000754431 [0,0,0,0,0,0|4,0,0]=4 19 B9R0.47 C=CCCSC(C)C(=O)N 62a_100000754431_100000702099 [0,0,0,0,0,0|4,0,0]=4 20 B9R0.47 C=CCCSC(F)C(=O)N 62a_100000754431_100009813875 [0,0,0,0,0,0|4,0,0]=4 21 B9R0.47 C=CCCSC(F)C(=O)N 62a_100009813875_100000754431 [0,0,0,0,0,0|4,0,0]=4 22 B9R0.47 C=CCCSC(F)C(=O)[O-] 62a_100000754431_100020610796 [0,0,0,0,0,0|3,0,1]=4 23 B9R0.47 C=CCCSC(F)C(=O)[O-] 62a_100020610796_100000754431 [0,0,0,0,0,0|3,0,1]=4 24 B9R0.47 C=CCNCC(C)C(=O)O 269956a_100000749485_100000210623 [0,0,0,0,0,0|2,0,0]=2 25 B9R0.47 C=CCNCC(F)C(=O)O 269956a_100000084737_100000210623 [0,0,0,0,0,0|2,0,0]=2 26 B9R0.47 C=CCOCC(=O)C(=O)C 34a_200000210373_100011261029 [0,0,0,0,0,0|2,1,1]=4 27 B9R0.47 C=CCOCC(C)C(=O)C 34a_100000032740_100015514636 [0,0,0,0,0,0|2,1,0]=3 28 B9R0.47 C=CCOCC(C)C(=O)C 7a_100000032740_100015514636 [0,0,0,0,0,0|2,1,0]=3 29 B9R0.47 C=CCOCC(C)[N+](=O)[O-] 34a_100000039676_100015514636 [0,0,0,0,0,0|2,1,1]=4 30 B9R0.47 C=CCOCC(C)[N+](=O)[O-] 7a_100000039676_100015514636 [0,0,0,0,0,0|2,1,1]=4 31 B9R0.47 C=CCOC[C@H](N)C(=O)N 34a_100000729942_100015514636 [0,0,0,0,0,0|1,1,0]=2 32 B9R0.47 C=CCOC[C@H](N)C(C)C 34a_100011830312_100015514636 [0,0,0,0,0,0|2,1,1]=4 33 B9R0.47 C=CCSCC(=O)C(=O)C 62a_100000210623_100011261029 [0,0,0,0,0,0|2,0,1]=3 34 B9R0.47 C=CCSCC(=O)C(=O)C 62a_100011261029_100000210623 [0,0,0,0,0,0|2,0,1]=3 35 B9R0.47 CC(=O)C(=O)CSCC=O 62a_100011261029_200015260668 [0,0,0,0,0,0|3,0,1]=4 36 B9R0.47 CC(=O)C(=O)CSCC=O 62a_200015260668_100011261029 [0,0,0,0,0,0|3,0,1]=4 37 B9R0.47 CC(=O)C(C)COCC=O 34a_100000032740_200009817547 [0,0,0,0,0,0|3,1,0]=4 38 B9R0.47 CC(=O)C(C)COCC=O 7a_100000032740_200015260668 [0,0,0,0,0,0|3,1,0]=4 39 B9R0.47 CC(CNCC#N)C(=O)O 269956a_100000749485_100011215382 [0,0,0,0,0,0|3,0,1]=4 40 B9R0.47 CC(CNCC=O)C(=O)O 269956a_100000749485_200015260668 [0,0,0,0,0,0|3,0,0]=3 41 B9R0.47 CC(CNCCF)C(=O)O 269956a_100000749485_100011217306 [0,0,0,0,0,0|3,0,1]=4 42 B9R0.47 CC(CNCCO)C(=O)O 269956a_100000749485_100000211926 [0,0,0,0,0,0|3,0,1]=4 43 B9R0.47 CCCNCC(C)C(=O)O 269956a_100000749485_100000210207 [0,0,0,0,0,0|2,0,2]=4 44 B9R0.47 CCCNCC(F)C(=O)O 269956a_100000084737_100000210207 [0,0,0,0,0,0|2,0,2]=4 45 B9R0.47 CCCOC[C@H](N)C(=O)N 34a_100000729942_100000210303 [0,0,0,0,0,0|1,1,2]=4 46 B9R0.47 COCNCC(C)C(=O)O 269956a_100000749485_100000766300 [0,0,0,0,0,0|3,0,1]=4 47 B9R0.47 COCNCC(F)C(=O)O 269956a_100000084737_100000766300 [0,0,0,0,0,0|3,0,1]=4 48 B9R0.47 CSCNCC(C)C(=O)O 269956a_100000749485_100011218213 [0,0,0,0,0,0|3,0,1]=4 49 B9R0.47 CSCNCC(F)C(=O)O 269956a_100000084737_100011218213 [0,0,0,0,0,0|3,0,1]=4 50 B9R0.47 CSCOC[C@H](N)C(=O)N 34a_100000729942_100011218213 [0,0,0,0,0,0|2,1,1]=4 51 B9R0.47 N#CCNCC(F)C(=O)O 269956a_100000084737_100011215382 [0,0,0,0,0,0|3,0,1]=4 52 B9R0.47 NC(=O)[C@@H](N)COCC=O 34a_100000729942_200009817547 [0,0,0,0,0,0|2,1,0]=3 53 B9R0.47 NC(=O)[C@@H](N)COCCF 34a_100000729942_100011217306 [0,0,0,0,0,0|2,1,1]=4 54 B9R0.47 NC(=O)[C@@H](N)COCCO 34a_100000729942_100000211926 [0,0,0,0,0,0|2,1,1]=4 55 B9R0.47 O=C(O)C(F)CNCCF 269956a_100000084737_100011217306 [0,0,0,0,0,0|3,0,1]=4 56 B9R0.47 O=C(O)C(F)CNCCO 269956a_100000084737_100000211926 [0,0,0,0,0,0|3,0,1]=4 57 B9R0.47 O=CCNCC(F)C(=O)O 269956a_100000084737_200015260668 [0,0,0,0,0,0|3,0,0]=3 58 B8R0.6 C=CC(O)CSCC=O 62a_100000730141_200015260668 [1,0,0,0,0,0|3,0,0]=4 59 B8R0.6 C=CC(O)CSCC=O 62a_200015260668_100000730141 [1,0,0,0,0,0|3,0,0]=4 60 B8R0.6 C=CCNCC(C)CO 34a_100000744482_100015514636 [1,0,0,0,0,0|2,0,1]=4 61 B8R0.6 C=CCNCC(O)C=C 2230a_100020586998_100000730141 [1,0,0,0,0,0|3,0,0]=4 62 B8R0.6 C=CCNCC(O)CO 2230a_100020586998_100011219619 [1,0,0,0,0,0|2,0,1]=4 63 B8R0.6 C=CCNC[C@@H](C)CO 2230a_100020586998_100000059175 [1,0,0,0,0,0|2,0,1]=4 64 B8R0.6 C=CCNC[C@@H](F)CO 34a_100015665980_100015514636 [1,0,0,0,0,0|2,0,1]=4 65 B8R0.6 C=CCNC[C@@H](O)CO 2230a_100020586998_100009815848 [1,0,0,0,0,0|2,0,1]=4 66 B8R0.6 C=CCNC[C@H](O)CO 2230a_100020644852_100000210623 [1,0,0,0,0,0|2,0,1]=4 67 B8R0.6 C=CCOCC(C)C=C 34a_100011215527_100015514636 [1,0,0,0,0,0|2,1,0]=4 68 B8R0.6 C=CCOCC(C)C=C 7a_100011215527_100015514636 [1,0,0,0,0,0|2,1,0]=4 69 B8R0.6 C=CCOCC(O)C=C 34a_200000210373_100000730141 [1,0,0,0,0,0|2,1,0]=4 70 B8R0.6 C=CCOCC(O)CO 34a_200000210373_100011219619 [1,0,0,0,0,0|1,1,1]=4 71 B8R0.6 C=CCOC[C@@H](C)CO 34a_200000210373_100000059175 [1,0,0,0,0,0|1,1,1]=4 72 B8R0.6 C=CCOC[C@@H](N)C=C 34a_100016989147_100015514636 [1,0,0,0,0,0|1,1,0]=3 73 B8R0.6 C=CCOC[C@@H](O)CO 34a_200000210373_100009815848 [1,0,0,0,0,0|1,1,1]=4 74 B8R0.6 C=CCSCC(C)CC 62a_100000210623_100000748023 [1,0,0,0,0,0|2,0,1]=4 75 B8R0.6 C=CCSCC(C)CC 62a_100000748023_100000210623 [1,0,0,0,0,0|2,0,1]=4 76 B8R0.6 C=CCSCC(O)C=C 62a_100000210623_100000730141 [1,0,0,0,0,0|2,0,0]=3 77 B8R0.6 C=CCSCC(O)C=C 62a_100000730141_100000210623 [1,0,0,0,0,0|2,0,0]=3 78 B8R0.6 C=CCSCC(O)CC 62a_100000210623_100011218378 [1,0,0,0,0,0|2,0,1]=4 79 B8R0.6 C=CCSCC(O)CC 62a_100011218378_100000210623 [1,0,0,0,0,0|2,0,1]=4 80 B8R0.6 C=CCSCC(O)CO 62a_100000210623_100011219619 [1,0,0,0,0,0|1,0,1]=3 81 B8R0.6 C=CCSCC(O)CO 62a_100011219619_100000210623 [1,0,0,0,0,0|1,0,1]=3 82 B8R0.6 C=CCSC[C@@H](C)CC 62a_100000210623_100009816398 [1,0,0,0,0,0|2,0,1]=4 83 B8R0.6 C=CCSC[C@@H](C)CC 62a_100009816398_100000210623 [1,0,0,0,0,0|2,0,1]=4 84 B8R0.6 C=CCSC[C@@H](C)CO 62a_100000059175_100000210623 [1,0,0,0,0,0|1,0,1]=3 85 B8R0.6 C=CCSC[C@@H](C)CO 62a_100000210623_100000059175 [1,0,0,0,0,0|1,0,1]=3 86 B8R0.6 C=CCSC[C@@H](O)CF 62a_100000210623_100015614560 [1,0,0,0,0,0|2,0,1]=4 87 B8R0.6 C=CCSC[C@@H](O)CF 62a_100015614560_100000210623 [1,0,0,0,0,0|2,0,1]=4 88 B8R0.6 C=CCSC[C@@H](O)CO 62a_100000210623_100009815848 [1,0,0,0,0,0|1,0,1]=3 89 B8R0.6 C=CCSC[C@@H](O)CO 62a_100009815848_100000210623 [1,0,0,0,0,0|1,0,1]=3 90 B8R0.6 C=C[C@H](N)COCC=O 34a_100016989147_200009817547 [1,0,0,0,0,0|2,1,0]=4 91 B8R0.6 C[C@@H](CO)CSCC=O 62a_100000059175_200015260668 [1,0,0,0,0,0|2,0,1]=4 92 B8R0.6 C[C@@H](CO)CSCC=O 62a_200015260668_100000059175 [1,0,0,0,0,0|2,0,1]=4 93 B8R0.6 O=CCSCC(O)CO 62a_100011219619_200015260668 [1,0,0,0,0,0|2,0,1]=4 94 B8R0.6 O=CCSCC(O)CO 62a_200015260668_100011219619 [1,0,0,0,0,0|2,0,1]=4 95 B8R0.6 O=CCSC[C@@H](O)CO 62a_100009815848_200015260668 [1,0,0,0,0,0|2,0,1]=4 96 B8R0.6 O=CCSC[C@@H](O)CO 62a_200015260668_100009815848 [1,0,0,0,0,0|2,0,1]=4 97 B8R0.7 C#CCSCCC(=O)C 62a_100000038162_100000053229 [1,0,0,0,0,0|1,0,2]=4 98 B8R0.7 C#CCSCCC(=O)N 62a_100000038162_100000744528 [1,0,0,0,0,0|1,0,2]=4 99 B8R0.7 C=C(C)CCSCC=O 62a_100000730704_200015260668 [1,0,0,0,0,0|3,0,0]=4 100 B8R0.7 C=C(C)CCSCC=O 62a_200015260668_100000730704 [1,0,0,0,0,0|3,0,0]=4 101 B8R0.7 C=CCCCCC(=O)C 1458a_100000070787_100011215482 [1,0,0,0,0,0|2,0,0]=3 102 B8R0.7 C=CCCCCC(=O)C 1458a_100011215552_200000210301 [1,0,0,0,0,0|2,0,0]=3 103 B8R0.7 C=CCCCCC(=O)[13CH3] 1458a_100011215552_200025704644 [1,0,0,0,0,0|2,0,0]=3 104 B8R0.7 C=CCCCNC(=O)C 11a_100000700776_100015343762 [1,0,0,0,0,0|3,0,0]=4 105 B8R0.7 C=CCCCNC(=O)C 1626a_100000700776_100015343762 [1,0,0,0,0,0|3,0,0]=4 106 B8R0.7 C=CCCCNC(=O)C 240690a_100000700776_100015343762 [1,0,0,0,0,0|3,0,0]=4 107 B8R0.7 C=CCCCNC(=O)C 527a_100000700776_100103153847 [1,0,0,0,0,0|3,0,0]=4 108 B8R0.7 C=CCCNCC(=O)N 2230a_100000711301_100000754431 [1,0,0,0,0,0|3,0,0]=4 109 B8R0.7 C=CCCNCC(=O)N 2230a_100015191253_100000747473 [1,0,0,0,0,0|3,0,0]=4 110 B8R0.7 C=CCCNCC(=O)O 269956a_100016091260_100000754431 [1,0,0,0,0,0|2,0,0]=3 111 B8R0.7 C=CCCOCC(=O)C 34a_100000211253_100000754431 [1,0,0,0,0,0|3,0,0]=4 112 B8R0.7 C=CCCOCC(=O)N 34a_100011205117_100000187820 [1,0,0,0,0,0|3,0,0]=4 113 B8R0.7 C=CCCOCC(=O)[O-] 34a_100011205117_100020667443 [1,0,0,0,0,0|2,0,1]=4 114 B8R0.7 C=CCCSCC(=O)N 62a_100000747473_100000754431 [1,0,0,0,0,0|3,0,0]=4 115 B8R0.7 C=CCCSCC(=O)N 62a_100000754431_100000747473 [1,0,0,0,0,0|3,0,0]=4 116 B8R0.7 C=CCCSCC(=O)[O-] 62a_100000754431_100020667443 [1,0,0,0,0,0|2,0,1]=4 117 B8R0.7 C=CCCSCC(=O)[O-] 62a_100020667443_100000754431 [1,0,0,0,0,0|2,0,1]=4 118 B8R0.7 C=CCNCCC(=C)C 2230a_100020586998_100000730704 [1,0,0,0,0,0|3,0,0]=4 119 B8R0.7 C=CCNCCC(=O)N 2230a_100020586998_100000744528 [1,0,0,0,0,0|2,0,0]=3 120 B8R0.7 C=CCNCCC(C)O 2230a_100020586998_100012276601 [1,0,0,0,0,0|2,0,1]=4 121 B8R0.7 C=CCNCCC(C)O 2230a_200000755665_100000210623 [1,0,0,0,0,0|2,0,1]=4 122 B8R0.7 C=CCNOCC(=O)O 269956a_100000106656_100000210623 [1,0,0,0,0,0|2,0,0]=3 123 B8R0.7 C=CCOCCC(=C)Br 34a_100009813270_100015514636 [1,0,0,0,0,0|2,1,0]=4 124 B8R0.7 C=CCOCCC(=C)C 34a_100000764851_100015514636 [1,0,0,0,0,0|2,1,0]=4 125 B8R0.7 C=CCOCCC(=C)C 34a_200000210373_100000730704 [1,0,0,0,0,0|2,1,0]=4 126 B8R0.7 C=CCOCCC(=O)C 1458a_200011217002_200000210301 [1,0,0,0,0,0|1,1,0]=3 127 B8R0.7 C=CCOCCC(=O)C 34a_100000759926_100015514636 [1,0,0,0,0,0|1,1,0]=3 128 B8R0.7 C=CCOCCC(=O)C 7a_100000759926_100015514636 [1,0,0,0,0,0|1,1,0]=3 129 B8R0.7 C=CCOCCC(=O)N 34a_100000757172_100015514636 [1,0,0,0,0,0|1,1,0]=3 130 B8R0.7 C=CCOCCC(=O)N 34a_200000210373_100000731001 [1,0,0,0,0,0|1,1,0]=3 131 B8R0.7 C=CCOCCC(=O)N 7a_100000757172_100015514636 [1,0,0,0,0,0|1,1,0]=3 132 B8R0.7 C=CCOCCC(=O)[13CH3] 1458a_200011217002_200025704644 [1,0,0,0,0,0|1,1,0]=3 133 B8R0.7 C=CCOCCC(C)O 34a_200000210373_100012276601 [1,0,0,0,0,0|1,1,1]=4 134 B8R0.7 C=CCOCOC(=O)C 34a_200000210373_100009813279 [1,0,0,0,0,0|2,1,0]=4 135 B8R0.7 C=CCSCC=C(C)C 62a_100000210623_100000761012 [1,0,0,0,0,0|2,0,1]=4 136 B8R0.7 C=CCSCC=C(C)C 62a_100000761012_100000210623 [1,0,0,0,0,0|2,0,1]=4 137 B8R0.7 C=CCSCCC(=C)C 62a_100000210623_100000730704 [1,0,0,0,0,0|2,0,0]=3 138 B8R0.7 C=CCSCCC(=C)C 62a_100000730704_100000210623 [1,0,0,0,0,0|2,0,0]=3 139 B8R0.7 C=CCSCCC(=O)C 62a_100000053229_100000210623 [1,0,0,0,0,0|1,0,0]=2 140 B8R0.7 C=CCSCCC(=O)C 62a_100000210623_100000053229 [1,0,0,0,0,0|1,0,0]=2 141 B8R0.7 C=CCSCCC(=O)N 62a_100000210623_100000744528 [1,0,0,0,0,0|1,0,0]=2 142 B8R0.7 C=CCSCCC(=O)N 62a_100000744528_100000210623 [1,0,0,0,0,0|1,0,0]=2 143 B8R0.7 C=CCSCCC(C)C 62a_100000210312_100000210623 [1,0,0,0,0,0|2,0,1]=4 144 B8R0.7 C=CCSCCC(C)C 62a_100000210623_100000210312 [1,0,0,0,0,0|2,0,1]=4 145 B8R0.7 C=CCSCCC(C)O 62a_100000210623_100012276601 [1,0,0,0,0,0|1,0,1]=3 146 B8R0.7 C=CCSCCC(C)O 62a_100012276601_100000210623 [1,0,0,0,0,0|1,0,1]=3 147 B8R0.7 C=CCSCCN(C)C 62a_100000210623_100000755713 [1,0,0,0,0,0|3,0,0]=4 148 B8R0.7 C=CCSCOC(=O)C 62a_100000076356_100000210623 [1,0,0,0,0,0|2,0,0]=3 149 B8R0.7 C=CCSCOC(=O)C 62a_100000210623_100000076356 [1,0,0,0,0,0|2,0,0]=3 150 B8R0.7 CC(=O)CCOCC=O 34a_100000759926_200009817547 [1,0,0,0,0,0|2,1,0]=4 151 B8R0.7 CC(=O)CCOCC=O 7a_100000759926_200015260668 [1,0,0,0,0,0|2,1,0]=4 152 B8R0.7 CC(=O)CCSCC#N 62a_100000053229_100011215382 [1,0,0,0,0,0|2,0,1]=4 153 B8R0.7 CC(=O)CCSCC#N 62a_100011215382_100000053229 [1,0,0,0,0,0|2,0,1]=4 154 B8R0.7 CC(=O)CCSCC=O 62a_100000053229_200015260668 [1,0,0,0,0,0|2,0,0]=3 155 B8R0.7 CC(=O)CCSCC=O 62a_200015260668_100000053229 [1,0,0,0,0,0|2,0,0]=3 156 B8R0.7 CC(=O)CCSCCF 62a_100000053229_100011217306 [1,0,0,0,0,0|2,0,1]=4 157 B8R0.7 CC(=O)CCSCCF 62a_100011217306_100000053229 [1,0,0,0,0,0|2,0,1]=4 158 B8R0.7 CC(=O)CCSCCO 62a_100000053229_100000211926 [1,0,0,0,0,0|2,0,1]=4 159 B8R0.7 CC(=O)CCSCCO 62a_100000211926_100000053229 [1,0,0,0,0,0|2,0,1]=4 160 B8R0.7 CC(=O)OCSCC=O 62a_100000076356_200015260668 [1,0,0,0,0,0|3,0,0]=4 161 B8R0.7 CC(=O)OCSCC=O 62a_200015260668_100000076356 [1,0,0,0,0,0|3,0,0]=4 162 B8R0.7 CC(O)CCSCC=O 62a_100012276601_200015260668 [1,0,0,0,0,0|2,0,1]=4 163 B8R0.7 CC(O)CCSCC=O 62a_200015260668_100012276601 [1,0,0,0,0,0|2,0,1]=4 164 B8R0.7 CCCSCCC(=O)C 62a_100000053229_100000210303 [1,0,0,0,0,0|1,0,2]=4 165 B8R0.7 CCCSCCC(=O)C 62a_100000210303_100000053229 [1,0,0,0,0,0|1,0,2]=4 166 B8R0.7 CCCSCCC(=O)N 62a_100000210303_100000744528 [1,0,0,0,0,0|1,0,2]=4 167 B8R0.7 CCCSCCC(=O)N 62a_100000744528_100000210303 [1,0,0,0,0,0|1,0,2]=4 168 B8R0.7 COCSCCC(=O)C 62a_100000053229_100000766300 [1,0,0,0,0,0|2,0,1]=4 169 B8R0.7 COCSCCC(=O)C 62a_100000766300_100000053229 [1,0,0,0,0,0|2,0,1]=4 170 B8R0.7 COCSCCC(=O)N 62a_100000744528_100000766300 [1,0,0,0,0,0|2,0,1]=4 171 B8R0.7 COCSCCC(=O)N 62a_100000766300_100000744528 [1,0,0,0,0,0|2,0,1]=4 172 B8R0.7 CSCSCCC(=O)C 62a_100000053229_100011218213 [1,0,0,0,0,0|2,0,1]=4 173 B8R0.7 CSCSCCC(=O)C 62a_100011218213_100000053229 [1,0,0,0,0,0|2,0,1]=4 174 B8R0.7 CSCSCCC(=O)N 62a_100000744528_100011218213 [1,0,0,0,0,0|2,0,1]=4 175 B8R0.7 CSCSCCC(=O)N 62a_100011218213_100000744528 [1,0,0,0,0,0|2,0,1]=4 176 B8R0.7 N#CCSCCC(=O)N 62a_100000744528_100011215382 [1,0,0,0,0,0|2,0,1]=4 177 B8R0.7 N#CCSCCC(=O)N 62a_100011215382_100000744528 [1,0,0,0,0,0|2,0,1]=4 178 B8R0.7 NC(=O)CCOCC=O 34a_100000757172_200009817547 [1,0,0,0,0,0|2,1,0]=4 179 B8R0.7 NC(=O)CCOCC=O 7a_100000757172_200015260668 [1,0,0,0,0,0|2,1,0]=4 180 B8R0.7 NC(=O)CCSCC=O 62a_100000744528_200015260668 [1,0,0,0,0,0|2,0,0]=3 181 B8R0.7 NC(=O)CCSCC=O 62a_200015260668_100000744528 [1,0,0,0,0,0|2,0,0]=3 182 B8R0.7 NC(=O)CCSCCF 62a_100000744528_100011217306 [1,0,0,0,0,0|2,0,1]=4 183 B8R0.7 NC(=O)CCSCCF 62a_100011217306_100000744528 [1,0,0,0,0,0|2,0,1]=4 184 B8R0.7 NC(=O)CCSCCO 62a_100000211926_100000744528 [1,0,0,0,0,0|2,0,1]=4 185 B8R0.7 NC(=O)CCSCCO 62a_100000744528_100000211926 [1,0,0,0,0,0|2,0,1]=4 186 B8R0.7 O=CCNOCC(=O)O 269956a_100000106656_200015260668 [1,0,0,0,0,0|3,0,0]=4 187 B8R0.8 C=CCCN(C)C(=O)C 11a_100020639649_100015343762 [1,0,0,0,0,0|3,0,0]=4 188 B8R0.8 C=CCCN(C)C(=O)C 1626a_100020639649_100015343762 [1,0,0,0,0,0|3,0,0]=4 189 B8R0.8 C=CCCN(C)C(=O)C 240690a_100020639649_100015343762 [1,0,0,0,0,0|3,0,0]=4 190 B8R0.8 C=CCCN(C)C(=O)C 527a_100020639649_100103153847 [1,0,0,0,0,0|3,0,0]=4 191 B8R0.8 C=CCNC(C)C(=O)C 2230a_100020586998_100009814033 [1,0,0,0,0,0|3,0,0]=4 192 B8R0.8 C=CCNC(C)C(=O)N 2230a_100020586998_100000702099 [1,0,0,0,0,0|3,0,0]=4 193 B8R0.8 C=CCNC(F)C(=O)N 2230a_100020586998_100009813875 [1,0,0,0,0,0|3,0,0]=4 194 B8R0.8 C=CCN[C@@H](C)C(=O)O 269956a_100000743915_100000210623 [1,0,0,0,0,0|2,0,0]=3 195 B8R0.8 C=CCN[C@H](C)C(=O)N 2230a_100000119354_100000210623 [1,0,0,0,0,0|3,0,0]=4 196 B8R0.8 C=CCN[C@H](C)C(=O)N 34a_100000119354_100015514636 [1,0,0,0,0,0|3,0,0]=4 197 B8R0.8 C=CCOC(C)C(=O)C 34a_100000212229_100015514636 [1,0,0,0,0,0|2,1,0]=4 198 B8R0.8 C=CCOC(C)C(=O)N 34a_200000210373_100000702099 [1,0,0,0,0,0|2,1,0]=4 199 B8R0.8 C=CCOC(F)C(=O)N 34a_200000210373_100009813875 [1,0,0,0,0,0|2,1,0]=4 200 B8R0.8 C=CCOC(F)C(=O)[O-] 34a_200000210373_100020610796 [1,0,0,0,0,0|1,1,1]=4 201 B8R0.8 C=CCO[C@@H](C)C(=O)[O-] 7a_217856618621_100015514636 [1,0,0,0,0,0|1,1,1]=4 202 B8R0.8 C=CCO[C@H](C)C(=O)N 34a_100000731257_100015514636 [1,0,0,0,0,0|2,1,0]=4 203 B8R0.8 C=CCO[C@H](C)C(=O)N 7a_100000731257_100015514636 [1,0,0,0,0,0|2,1,0]=4 204 B8R0.8 C=CCSC(C)C(=O)C 1458a_100000230602_200000210301 [1,0,0,0,0,0|2,0,0]=3 205 B8R0.8 C=CCSC(C)C(=O)C 62a_100000210623_100009814033 [1,0,0,0,0,0|2,0,0]=3 206 B8R0.8 C=CCSC(C)C(=O)C 62a_100009814033_100000210623 [1,0,0,0,0,0|2,0,0]=3 207 B8R0.8 C=CCSC(C)C(=O)N 62a_100000210623_100000702099 [1,0,0,0,0,0|2,0,0]=3 208 B8R0.8 C=CCSC(C)C(=O)N 62a_100000702099_100000210623 [1,0,0,0,0,0|2,0,0]=3 209 B8R0.8 C=CCSC(C)C(=O)[13CH3] 1458a_100000230602_200025704644 [1,0,0,0,0,0|2,0,0]=3 210 B8R0.8 C=CCSC(F)C(=O)N 62a_100000210623_100009813875 [1,0,0,0,0,0|2,0,0]=3 211 B8R0.8 C=CCSC(F)C(=O)N 62a_100009813875_100000210623 [1,0,0,0,0,0|2,0,0]=3 212 B8R0.8 C=CCSC(F)C(=O)[O-] 62a_100000210623_100020610796 [1,0,0,0,0,0|1,0,1]=3 213 B8R0.8 C=CCSC(F)C(=O)[O-] 62a_100020610796_100000210623 [1,0,0,0,0,0|1,0,1]=3 214 B8R0.8 CC(=O)C(C)SCC=O 62a_100009814033_200015260668 [1,0,0,0,0,0|3,0,0]=4 215 B8R0.8 CC(=O)C(C)SCC=O 62a_200015260668_100009814033 [1,0,0,0,0,0|3,0,0]=4 216 B8R0.8 CC(CNCF)C(=O)O 269956a_100000749485_100015361967 [1,0,0,0,0,0|3,0,0]=4 217 B8R0.8 CC(SCC=O)C(=O)N 62a_100000702099_200015260668 [1,0,0,0,0,0|3,0,0]=4 218 B8R0.8 CC(SCC=O)C(=O)N 62a_200015260668_100000702099 [1,0,0,0,0,0|3,0,0]=4 219 B8R0.8 CCNCC(C)C(=O)O 269956a_100000749485_100000210202 [1,0,0,0,0,0|2,0,1]=4 220 B8R0.8 CCNCC(F)C(=O)O 269956a_100000084737_100000210202 [1,0,0,0,0,0|2,0,1]=4 221 B8R0.8 CCOC[C@H](N)C(=O)N 34a_100000729942_100000210202 [1,0,0,0,0,0|1,1,1]=4 222 B8R0.8 C[C@H](NCC=O)C(=O)O 269956a_100000743915_200015260668 [1,0,0,0,0,0|3,0,0]=4 223 B8R0.8 NC(=O)C(F)SCC=O 62a_100009813875_200015260668 [1,0,0,0,0,0|3,0,0]=4 224 B8R0.8 NC(=O)C(F)SCC=O 62a_200015260668_100009813875 [1,0,0,0,0,0|3,0,0]=4 225 B8R0.8 NC(=O)[C@@H](N)COCF 34a_100000729942_100015361967 [1,0,0,0,0,0|2,1,0]=4 226 B8R0.8 O=C(O)C(F)CNCF 269956a_100000084737_100015361967 [1,0,0,0,0,0|3,0,0]=4 227 B8R0.8 O=CCSC(F)C(=O)[O-] 62a_100020610796_200015260668 [1,0,0,0,0,0|2,0,1]=4 228 B8R0.8 O=CCSC(F)C(=O)[O-] 62a_200015260668_100020610796 [1,0,0,0,0,0|2,0,1]=4 229 B10R0.5 C=CCSCC(O)S(=O)(=O)[O-] 62a_100000210623_200000035551 [0,1,0,0,0,0|2,0,1]=4 230 B10R0.5 C=CCSCC(O)S(=O)(=O)[O-] 62a_200000035551_100000210623 [0,1,0,0,0,0|2,0,1]=4 231 B10R0.42 C=CCNCC(C)(C)C(=O)N 2230a_100000740840_100000210623 [0,1,0,0,0,0|3,0,0]=4 232 B10R0.42 C=CCNCC(C)(C)C(=O)N 34a_100000740840_100015514636 [0,1,0,0,0,0|3,0,0]=4 233 B10R0.42 C=CCNCC(C)(C)C(=O)O 269956a_100000693527_100000210623 [0,1,0,0,0,0|2,0,0]=3 234 B10R0.42 C=CCNCC(F)(F)C(=O)O 269956a_100000734215_100000210623 [0,1,0,0,0,0|2,0,0]=3 235 B10R0.42 C=CCNOC(C)(C)C(=O)O 269956a_100016989451_100000210623 [0,1,0,0,0,0|3,0,0]=4 236 B10R0.42 C=CCOCC(C)(C)C(=O)N 34a_200000210373_200009895572 [0,1,0,0,0,0|2,1,0]=4 237 B10R0.42 C=CCSCC(C)(C)C(=O)N 62a_100000210623_200009895572 [0,1,0,0,0,0|2,0,0]=3 238 B10R0.42 C=CCSCC(C)(C)C(=O)N 62a_200009895572_100000210623 [0,1,0,0,0,0|2,0,0]=3 239 B10R0.42 CC(C)(CNCC=O)C(=O)O 269956a_100000693527_200015260668 [0,1,0,0,0,0|3,0,0]=4 240 B10R0.42 CC(C)(CSCC=O)C(=O)N 62a_200009895572_200015260668 [0,1,0,0,0,0|3,0,0]=4 241 B10R0.42 CC(C)(CSCC=O)C(=O)N 62a_200015260668_200009895572 [0,1,0,0,0,0|3,0,0]=4 242 B10R0.42 O=CCNCC(F)(F)C(=O)O 269956a_100000734215_200015260668 [0,1,0,0,0,0|3,0,0]=4 243 B10R0.75 C/C=C/CNCC(C)C(=O)O 269956a_100000749485_100102629194 [0,1,0,0,0,0|2,0,0]=3 244 B10R0.75 C/C=C/CNCC(F)C(=O)O 269956a_100000084737_100102629194 [0,1,0,0,0,0|2,0,0]=3 245 B10R0.75 C/C=C/COCC(C)C(=O)C 34a_100000032740_100102629194 [0,1,0,0,0,0|2,1,0]=4 246 B10R0.75 C/C=C/COCC(C)C(=O)C 7a_100000032740_100102629194 [0,1,0,0,0,0|2,1,0]=4 247 B10R0.75 C/C=C/COC[C@H](N)C(=O)N 34a_100000729942_100102629194 [0,1,0,0,0,0|1,1,0]=3 248 B10R0.75 C/C=C/CSCC(=O)C(=O)C 62a_100011261029_100102629194 [0,1,0,0,0,0|2,0,1]=4 249 B10R0.75 C/C=C/CSCC(=O)C(=O)C 62a_100102629194_100011261029 [0,1,0,0,0,0|2,0,1]=4 250 B10R0.75 C=CCCCNC(C)C(=O)C 2230a_100000700776_100009814033 [0,1,0,0,0,0|3,0,0]=4 251 B10R0.75 C=CCCCNC(C)C(=O)N 2230a_100000700776_100000702099 [0,1,0,0,0,0|3,0,0]=4 252 B10R0.75 C=CCCCNC(C)C(=O)N 34a_100000700776_100000702099 [0,1,0,0,0,0|3,0,0]=4 253 B10R0.75 C=CCCCNC(F)C(=O)N 2230a_100000700776_100009813875 [0,1,0,0,0,0|3,0,0]=4 254 B10R0.75 C=CCCCNC(F)C(=O)N 34a_100000700776_100009813875 [0,1,0,0,0,0|3,0,0]=4 255 B10R0.75 C=CCCCNC(F)C(=O)[O-] 34a_100000700776_100020610796 [0,1,0,0,0,0|2,0,1]=4 256 B10R0.75 C=CCCCN[C@@H](C)C(=O)O 269956a_100000743915_100011713584 [0,1,0,0,0,0|2,0,0]=3 257 B10R0.75 C=CCCCN[C@H](C)C(=O)N 2230a_100000119354_100011713584 [0,1,0,0,0,0|3,0,0]=4 258 B10R0.75 C=CCCCN[C@H](C)C(=O)N 34a_100000119354_100000757094 [0,1,0,0,0,0|3,0,0]=4 259 B10R0.75 C=CCCCOC(C)C(=O)C 34a_100000212229_100000757094 [0,1,0,0,0,0|3,0,0]=4 260 B10R0.75 C=CCCCOC(C)C(=O)C 7a_100000758997_100000179758 [0,1,0,0,0,0|3,0,0]=4 261 B10R0.75 C=CCCCOC(C)C(=O)N 34a_100000758997_100000702099 [0,1,0,0,0,0|3,0,0]=4 262 B10R0.75 C=CCCCOC(C)C(=O)N 7a_100000758997_100000702099 [0,1,0,0,0,0|3,0,0]=4 263 B10R0.75 C=CCCCOC(F)C(=O)N 34a_100000758997_100009813875 [0,1,0,0,0,0|3,0,0]=4 264 B10R0.75 C=CCCCOC(F)C(=O)N 7a_100000758997_100009813875 [0,1,0,0,0,0|3,0,0]=4 265 B10R0.75 C=CCCCOC(F)C(=O)[O-] 34a_100000758997_100020610796 [0,1,0,0,0,0|2,0,1]=4 266 B10R0.75 C=CCCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000757094 [0,1,0,0,0,0|2,0,1]=4 267 B10R0.75 C=CCCCO[C@H](C)C(=O)N 34a_100000731257_100000757094 [0,1,0,0,0,0|3,0,0]=4 268 B10R0.75 C=CCCCO[C@H](C)C(=O)N 7a_100000731257_100000757094 [0,1,0,0,0,0|3,0,0]=4 269 B10R0.75 C=CCCCSC(C)C(=O)C 62a_100009814033_100000757094 [0,1,0,0,0,0|3,0,0]=4 270 B10R0.75 C=CCCCSC(C)C(=O)C 62a_100011713584_100009814033 [0,1,0,0,0,0|3,0,0]=4 271 B10R0.75 C=CCCCSC(C)C(=O)N 62a_100000702099_100000757094 [0,1,0,0,0,0|3,0,0]=4 272 B10R0.75 C=CCCCSC(C)C(=O)N 62a_100011713584_100000702099 [0,1,0,0,0,0|3,0,0]=4 273 B10R0.75 C=CCCCSC(F)C(=O)N 62a_100009813875_100000757094 [0,1,0,0,0,0|3,0,0]=4 274 B10R0.75 C=CCCCSC(F)C(=O)N 62a_100011713584_100009813875 [0,1,0,0,0,0|3,0,0]=4 275 B10R0.75 C=CCCCSC(F)C(=O)[O-] 62a_100011713584_100020610796 [0,1,0,0,0,0|2,0,1]=4 276 B10R0.75 C=CCCCSC(F)C(=O)[O-] 62a_100020610796_100000757094 [0,1,0,0,0,0|2,0,1]=4 277 B10R0.75 C=CCCNCC(C)C(=O)O 269956a_100000749485_100000754431 [0,1,0,0,0,0|2,0,0]=3 278 B10R0.75 C=CCCNCC(F)C(=O)O 269956a_100000084737_100000754431 [0,1,0,0,0,0|2,0,0]=3 279 B10R0.75 C=CCCOCC(C)C(=O)C 34a_100000032740_100000754431 [0,1,0,0,0,0|2,1,0]=4 280 B10R0.75 C=CCCOCC(C)C(=O)C 7a_100000032740_100000754431 [0,1,0,0,0,0|2,1,0]=4 281 B10R0.75 C=CCCOC[C@H](N)C(=O)N 34a_100000729942_100000754431 [0,1,0,0,0,0|1,1,0]=3 282 B10R0.75 C=CCCSCC(=O)C(=O)C 62a_100000754431_100011261029 [0,1,0,0,0,0|2,0,1]=4 283 B10R0.75 C=CCCSCC(=O)C(=O)C 62a_100011261029_100000754431 [0,1,0,0,0,0|2,0,1]=4 284 B10R0.75 C=COCCN[C@@H](C)C(=O)O 269956a_100000743915_100000039644 [0,1,0,0,0,0|3,0,0]=4 285 B10R0.75 CC=CCOCC(C)C(=O)C 34a_100000032740_100000070051 [0,1,0,0,0,0|2,1,0]=4 286 B10R0.75 CC=CCOCC(C)C(=O)C 7a_100000032740_100000070051 [0,1,0,0,0,0|2,1,0]=4 287 B10R0.75 CC=CCOC[C@H](N)C(=O)N 34a_100000729942_100000070051 [0,1,0,0,0,0|1,1,0]=3 288 B10R0.75 CC=CCSCC(=O)C(=O)C 62a_100000070051_100011261029 [0,1,0,0,0,0|2,0,1]=4 289 B10R0.75 CC=CCSCC(=O)C(=O)C 62a_100011261029_100000070051 [0,1,0,0,0,0|2,0,1]=4 290 B10R0.75 C[C@H](NCCCC=O)C(=O)O 269956a_100000743915_200011292268 [0,1,0,0,0,0|3,0,0]=4 291 B10R0.81 C=CCCN(C)C(C)C(=O)O 269956a_100000749554_100000754431 [0,1,0,0,0,0|3,0,0]=4 292 B10R0.81 C=CCO[C@H](C)[C@H](N)C(=O)N 34a_100000003557_100015514636 [0,1,0,0,0,0|1,1,0]=3 293 B10R0.81 C[C@@H](OCC=O)[C@H](N)C(=O)N 34a_100000003557_200009817547 [0,1,0,0,0,0|2,1,0]=4 294 B10R0.82 C=CC(C)NCC(C)C(=O)O 269956a_100000749485_100011215867 [0,1,0,0,0,0|2,0,0]=3 295 B10R0.82 C=CC(C)NCC(F)C(=O)O 269956a_100000084737_100011215867 [0,1,0,0,0,0|2,0,0]=3 296 B10R0.82 C=CC(C)SCC(=O)C(=O)C 62a_100011215867_100011261029 [0,1,0,0,0,0|2,0,1]=4 297 B10R0.82 C=CC(O)CN[C@@H](C)C(=O)O 269956a_100000743915_100000730141 [0,1,0,0,0,0|3,0,0]=4 298 B10R0.83 C#CCOC[C@@H](N)C(=O)OC 34a_100000003586_100000184674 [0,1,0,0,0,0|0,1,2]=4 299 B10R0.83 C#CCSCC(C)C(=O)OC 62a_100000038162_100000698445 [0,1,0,0,0,0|1,0,2]=4 300 B10R0.83 C=C(CSCC=O)C(=O)OC 62a_100009813391_200015260668 [0,1,0,0,0,0|2,0,1]=4 301 B10R0.83 C=C(CSCC=O)C(=O)OC 62a_200015260668_100009813391 [0,1,0,0,0,0|2,0,1]=4 302 B10R0.83 C=CCCNC(C)C(=O)OC 2230a_100015191253_100000211248 [0,1,0,0,0,0|3,0,0]=4 303 B10R0.83 C=CCCOC(C)C(=O)OC 34a_100011205117_100000211248 [0,1,0,0,0,0|3,0,0]=4 304 B10R0.83 C=CCCOC(C)C(=O)OC 34a_100011215400_100000754431 [0,1,0,0,0,0|3,0,0]=4 305 B10R0.83 C=CCCSC(C)C(=O)OC 62a_100000211248_100000754431 [0,1,0,0,0,0|3,0,0]=4 306 B10R0.83 C=CCCSC(C)C(=O)OC 62a_100000754431_100000211248 [0,1,0,0,0,0|3,0,0]=4 307 B10R0.83 C=CCNCC(C)C(=O)NC 2230a_100015187722_100000210623 [0,1,0,0,0,0|3,0,0]=4 308 B10R0.83 C=CCNCC(C)C(=O)NC 34a_100015187722_100015514636 [0,1,0,0,0,0|3,0,0]=4 309 B10R0.83 C=CCOCC(=C)C(=O)OC 34a_200000210373_100009813391 [0,1,0,0,0,0|1,1,1]=4 310 B10R0.83 C=CCOCC(=O)C(=O)OC 34a_200000210373_100011610305 [0,1,0,0,0,0|1,1,1]=4 311 B10R0.83 C=CCOCC(C)C(=O)OC 34a_100000749362_100015514636 [0,1,0,0,0,0|1,1,0]=3 312 B10R0.83 C=CCOCC(C)C(=O)OC 34a_200000210373_100000698445 [0,1,0,0,0,0|1,1,0]=3 313 B10R0.83 C=CCOCC(C)C(=O)OC 7a_100000749362_100015514636 [0,1,0,0,0,0|1,1,0]=3 314 B10R0.83 C=CCOCC(F)C(=O)OC 34a_200009849844_100015514636 [0,1,0,0,0,0|1,1,0]=3 315 B10R0.83 C=CCOCC(N)C(=O)NN 34a_100016989258_100015514636 [0,1,0,0,0,0|1,1,0]=3 316 B10R0.83 C=CCOC[C@@H](N)C(=O)OC 34a_100000003586_100015514636 [0,1,0,0,0,0|0,1,0]=2 317 B10R0.83 C=CCSCC(=C)C(=O)OC 62a_100000210623_100009813391 [0,1,0,0,0,0|1,0,1]=3 318 B10R0.83 C=CCSCC(=C)C(=O)OC 62a_100009813391_100000210623 [0,1,0,0,0,0|1,0,1]=3 319 B10R0.83 C=CCSCC(=O)C(=O)OC 62a_100000210623_100011610305 [0,1,0,0,0,0|1,0,1]=3 320 B10R0.83 C=CCSCC(=O)C(=O)OC 62a_100011610305_100000210623 [0,1,0,0,0,0|1,0,1]=3 321 B10R0.83 C=CCSCC(C)C(=O)OC 62a_100000210623_100000698445 [0,1,0,0,0,0|1,0,0]=2 322 B10R0.83 C=CCSCC(C)C(=O)OC 62a_100000698445_100000210623 [0,1,0,0,0,0|1,0,0]=2 323 B10R0.83 CCCOC[C@@H](N)C(=O)OC 34a_100000003586_100000210303 [0,1,0,0,0,0|0,1,2]=4 324 B10R0.83 CCCSCC(C)C(=O)OC 62a_100000210303_100000698445 [0,1,0,0,0,0|1,0,2]=4 325 B10R0.83 CCCSCC(C)C(=O)OC 62a_100000698445_100000210303 [0,1,0,0,0,0|1,0,2]=4 326 B10R0.83 COC(=O)C(=O)CSCC=O 62a_100011610305_200015260668 [0,1,0,0,0,0|2,0,1]=4 327 B10R0.83 COC(=O)C(=O)CSCC=O 62a_200015260668_100011610305 [0,1,0,0,0,0|2,0,1]=4 328 B10R0.83 COC(=O)C(C)COCC=O 34a_100000749362_200009817547 [0,1,0,0,0,0|2,1,0]=4 329 B10R0.83 COC(=O)C(C)COCC=O 7a_100000749362_200015260668 [0,1,0,0,0,0|2,1,0]=4 330 B10R0.83 COC(=O)C(C)CSCC#N 62a_100000698445_100011215382 [0,1,0,0,0,0|2,0,1]=4 331 B10R0.83 COC(=O)C(C)CSCC#N 62a_100011215382_100000698445 [0,1,0,0,0,0|2,0,1]=4 332 B10R0.83 COC(=O)C(C)CSCC=O 62a_100000698445_200015260668 [0,1,0,0,0,0|2,0,0]=3 333 B10R0.83 COC(=O)C(C)CSCC=O 62a_200015260668_100000698445 [0,1,0,0,0,0|2,0,0]=3 334 B10R0.83 COC(=O)C(C)CSCCF 62a_100000698445_100011217306 [0,1,0,0,0,0|2,0,1]=4 335 B10R0.83 COC(=O)C(C)CSCCF 62a_100011217306_100000698445 [0,1,0,0,0,0|2,0,1]=4 336 B10R0.83 COC(=O)C(C)CSCCO 62a_100000211926_100000698445 [0,1,0,0,0,0|2,0,1]=4 337 B10R0.83 COC(=O)C(C)CSCCO 62a_100000698445_100000211926 [0,1,0,0,0,0|2,0,1]=4 338 B10R0.83 COC(=O)C(C)CSCSC 62a_100000698445_100011218213 [0,1,0,0,0,0|2,0,1]=4 339 B10R0.83 COC(=O)C(C)CSCSC 62a_100011218213_100000698445 [0,1,0,0,0,0|2,0,1]=4 340 B10R0.83 COC(=O)C(F)COCC=O 34a_200009849844_200009817547 [0,1,0,0,0,0|2,1,0]=4 341 B10R0.83 COC(=O)[C@H](N)COCC=O 34a_100000003586_200009817547 [0,1,0,0,0,0|1,1,0]=3 342 B10R0.83 COC(=O)[C@H](N)COCCF 34a_100000003586_100011217306 [0,1,0,0,0,0|1,1,1]=4 343 B10R0.83 COC(=O)[C@H](N)COCCO 34a_100000003586_100000211926 [0,1,0,0,0,0|1,1,1]=4 344 B10R0.83 COC(=O)[C@H](N)COCSC 34a_100000003586_100011218213 [0,1,0,0,0,0|1,1,1]=4 345 B10R0.83 COCSCC(C)C(=O)OC 62a_100000698445_100000766300 [0,1,0,0,0,0|2,0,1]=4 346 B10R0.83 COCSCC(C)C(=O)OC 62a_100000766300_100000698445 [0,1,0,0,0,0|2,0,1]=4 347 B10R0.83 NNC(=O)C(N)COCC=O 34a_100016989258_200009817547 [0,1,0,0,0,0|2,1,0]=4 348 B10R0.86 C=CCCNC(CO)C(=O)O 269956a_100000187304_100000754431 [0,1,0,0,0,0|3,0,0]=4 349 B10R0.86 C=CCCN[C@@H](C=C)C(=O)O 269956a_100016992060_100000754431 [0,1,0,0,0,0|3,0,0]=4 350 B10R0.86 C=CCCN[C@H](CC)C(=O)O 269956a_100000747097_100000754431 [0,1,0,0,0,0|3,0,0]=4 351 B10R0.98 C=C(C)CCN[C@@H](C)C(=O)O 269956a_100000743915_100000730704 [0,1,0,0,0,0|3,0,0]=4 352 B10R0.98 C=C(C)CNCC(C)C(=O)O 269956a_100000749485_100000748629 [0,1,0,0,0,0|2,0,0]=3 353 B10R0.98 C=C(C)CNCC(F)C(=O)O 269956a_100000084737_100000748629 [0,1,0,0,0,0|2,0,0]=3 354 B10R0.98 C=C(C)COCC(C)C(=O)C 34a_100000032740_100000748629 [0,1,0,0,0,0|2,1,0]=4 355 B10R0.98 C=C(C)COCC(C)C(=O)C 7a_100000032740_100000748629 [0,1,0,0,0,0|2,1,0]=4 356 B10R0.98 C=C(C)COC[C@H](N)C(=O)N 34a_100000729942_100000748629 [0,1,0,0,0,0|1,1,0]=3 357 B10R0.98 C=C(C)CSCC(=O)C(=O)C 62a_100000748629_100011261029 [0,1,0,0,0,0|2,0,1]=4 358 B10R0.98 C=C(C)CSCC(=O)C(=O)C 62a_100011261029_100000211660 [0,1,0,0,0,0|2,0,1]=4 359 B10R0.98 C=C(F)CNCC(C)C(=O)O 269956a_100000749485_100000042424 [0,1,0,0,0,0|2,0,0]=3 360 B10R0.98 C=C(F)CNCC(F)C(=O)O 269956a_100000084737_100000042424 [0,1,0,0,0,0|2,0,0]=3 361 B10R0.98 C=C(F)COCC(C)C(=O)C 34a_100000032740_100009893438 [0,1,0,0,0,0|2,1,0]=4 362 B10R0.98 C=C(F)COCC(C)C(=O)C 7a_100000032740_100000042424 [0,1,0,0,0,0|2,1,0]=4 363 B10R0.98 C=C(F)COC[C@H](N)C(=O)N 34a_100000729942_100009893438 [0,1,0,0,0,0|1,1,0]=3 364 B10R0.98 C=C(F)CSCC(=O)C(=O)C 62a_100000042424_100011261029 [0,1,0,0,0,0|2,0,1]=4 365 B10R0.98 C=C(F)CSCC(=O)C(=O)C 62a_100011261029_100000042424 [0,1,0,0,0,0|2,0,1]=4 366 B10R0.98 CC(CNCC(=O)N)C(=O)O 269956a_100000749485_100000187820 [0,1,0,0,0,0|3,0,0]=4 367 B10R0.98 CC(CNCC(=O)[O-])C(=O)O 269956a_100000749485_100020667443 [0,1,0,0,0,0|3,0,0]=4 368 B10R0.98 NC(=O)CNCC(F)C(=O)O 269956a_100000084737_100000187820 [0,1,0,0,0,0|3,0,0]=4 369 B10R0.98 NC(=O)COC[C@H](N)C(=O)N 34a_100000729942_100000187820 [0,1,0,0,0,0|2,1,0]=4 370 B10R0.98 NC(=O)[C@@H](N)COCC(=O)[O-] 34a_100000729942_100020667443 [0,1,0,0,0,0|2,1,0]=4 371 B10R0.98 O=C([O-])CNCC(F)C(=O)O 269956a_100000084737_100020667443 [0,1,0,0,0,0|3,0,0]=4 372 B10R1.93 C=CCN1CC(C1)C(=O)N 34a_100025753142_100015514636 [0,0,0,1,0,0|3,0,0]=4 373 B10R1.113 CC(=O)C1CSCC(=O)N1 1458a_100000045068_200000210301 [0,0,0,1,0,0|2,0,0]=3 374 B10R1.113 CC(=O)[C@H]1CCCC(=O)N1 1458a_100000705292_200000210301 [0,0,0,1,0,0|3,0,0]=4 375 B10R1.113 [13CH3]C(=O)C1CSCC(=O)N1 1458a_100000045068_200025704644 [0,0,0,1,0,0|2,0,0]=3 376 B10R1.113 [13CH3]C(=O)[C@H]1CCCC(=O)N1 1458a_100000705292_200025704644 [0,0,0,1,0,0|3,0,0]=4 377 B10R0.6 C=CCCCN(C)CC(=O)O 269956a_100000746989_100011713584 [0,0,0,0,0,1|3,0,0]=4 378 B10R0.6 C=CCNCC(O)CC(=O)O 269956a_100011218706_100000210623 [0,0,0,0,0,1|2,0,0]=3 379 B10R0.6 C=CCSCC(=O)CC(=O)N 1458a_100000230395_100000187820 [0,0,0,0,0,1|2,0,1]=4 380 B10R0.6 C=CCSCC(=O)CC(=O)[O-] 1458a_100000230395_100020667443 [0,0,0,0,0,1|1,0,2]=4 381 B10R0.6 C=CCSCC(=O)NC(=O)C 62a_100000210623_100000183797 [0,0,0,0,0,1|2,0,1]=4 382 B10R0.6 C=CCSCC(=O)NC(=O)N 62a_100000210623_100000182717 [0,0,0,0,0,1|2,0,1]=4 383 B10R0.6 O=CCNCC(O)CC(=O)O 269956a_100011218706_200015260668 [0,0,0,0,0,1|3,0,0]=4 384 B7R0.1 C#CCCSCC=C 62a_100000210623_100000688953 [2,0,0,0,0,0|1,0,1]=4 385 B7R0.1 C#CCCSCC=C 62a_100000688953_100000210623 [2,0,0,0,0,0|1,0,1]=4 386 B7R0.1 C=CCCNCC=C 2230a_100015191253_100000210623 [2,0,0,0,0,0|2,0,0]=4 387 B7R0.1 C=CCCNCC=C 2230a_100020586998_100000754431 [2,0,0,0,0,0|2,0,0]=4 388 B7R0.1 C=CCCNCC=O 2230a_100015191253_200015260668 [2,0,0,0,0,0|2,0,0]=4 389 B7R0.1 C=CCCOCC=C 34a_100011205117_100015514636 [2,0,0,0,0,0|1,1,0]=4 390 B7R0.1 C=CCCOCC=C 34a_200000210373_100000754431 [2,0,0,0,0,0|1,1,0]=4 391 B7R0.1 C=CCCOCC=O 34a_100011205117_200009817547 [2,0,0,0,0,0|2,0,0]=4 392 B7R0.1 C=CCCSCC=C 62a_100000210623_100000754431 [2,0,0,0,0,0|1,0,0]=3 393 B7R0.1 C=CCCSCC=C 62a_100000754431_100000210623 [2,0,0,0,0,0|1,0,0]=3 394 B7R0.1 C=CCCSCC=O 62a_100000754431_200015260668 [2,0,0,0,0,0|2,0,0]=4 395 B7R0.1 C=CCCSCC=O 62a_200015260668_100000754431 [2,0,0,0,0,0|2,0,0]=4 396 B7R0.1 C=CCNCCCO 2230a_100020586998_100000230001 [2,0,0,0,0,0|1,0,1]=4 397 B7R0.1 C=CCOCCCO 34a_200000210373_100000230001 [2,0,0,0,0,0|0,1,1]=4 398 B7R0.1 C=CCSC/C=C/C 62a_100000210623_100102629194 [2,0,0,0,0,0|1,0,1]=4 399 B7R0.1 C=CCSC/C=C/C 62a_100102629194_100000210623 [2,0,0,0,0,0|1,0,1]=4 400 B7R0.1 C=CCSCC=CC 62a_100000070051_100000210623 [2,0,0,0,0,0|1,0,1]=4 401 B7R0.1 C=CCSCC=CC 62a_100000210623_100000070051 [2,0,0,0,0,0|1,0,1]=4 402 B7R0.1 C=CCSCCC#N 62a_100000210623_100011215226 [2,0,0,0,0,0|1,0,1]=4 403 B7R0.1 C=CCSCCC#N 62a_100011215226_100000210623 [2,0,0,0,0,0|1,0,1]=4 404 B7R0.1 C=CCSCCCC 62a_100000210211_100000210623 [2,0,0,0,0,0|1,0,1]=4 405 B7R0.1 C=CCSCCCC 62a_100000210623_100000210210 [2,0,0,0,0,0|1,0,1]=4 406 B7R0.1 C=CCSCCCF 62a_100000210623_100011934791 [2,0,0,0,0,0|1,0,1]=4 407 B7R0.1 C=CCSCCCF 62a_100011934791_100000210623 [2,0,0,0,0,0|1,0,1]=4 408 B7R0.1 C=CCSCCCO 62a_100000210623_100011215043 [2,0,0,0,0,0|0,0,1]=3 409 B7R0.1 C=CCSCCCO 62a_100011215043_100000210623 [2,0,0,0,0,0|0,0,1]=3 410 B7R0.1 C=CCSCCOC 62a_100000210623_100000233755 [2,0,0,0,0,0|2,0,0]=4 411 B7R0.1 C=CCSCCOC 62a_100000233755_100000210623 [2,0,0,0,0,0|2,0,0]=4 412 B7R0.1 C=CCSCCSC 62a_100000210623_100000751147 [2,0,0,0,0,0|2,0,0]=4 413 B7R0.1 C=CCSCCSC 62a_100000212216_100000210623 [2,0,0,0,0,0|2,0,0]=4 414 B7R0.1 O=CCSCCCO 62a_100011215043_200015260668 [2,0,0,0,0,0|1,0,1]=4 415 B7R0.1 O=CCSCCCO 62a_200015260668_100011215043 [2,0,0,0,0,0|1,0,1]=4 416 B7R0.3 C=CCSC(C)C=C 62a_100011215867_100000210623 [2,0,0,0,0,0|2,0,0]=4 417 B7R0.3 C=CCSC(C)CO 62a_100012180447_100000210623 [2,0,0,0,0,0|1,0,1]=4 418 B7R0.3 C=CCS[C@H](C)CO 62a_100000210623_100016084084 [2,0,0,0,0,0|1,0,1]=4 419 B7R0.3 C=CCS[C@H](C)CO 62a_100016084084_100000210623 [2,0,0,0,0,0|1,0,1]=4 420 B7R0.4 C=CCCCC(=O)C 1458a_100000070787_100000757094 [2,0,0,0,0,0|1,0,0]=3 421 B7R0.4 C=CCCCC(=O)C 1458a_100000766728_200000210301 [2,0,0,0,0,0|1,0,0]=3 422 B7R0.4 C=CCCCC(=O)[13CH3] 1458a_100000766728_200025704644 [2,0,0,0,0,0|1,0,0]=3 423 B7R0.4 C=CCCNC(=O)C 11a_100015191253_100015343762 [2,0,0,0,0,0|2,0,0]=4 424 B7R0.4 C=CCCNC(=O)C 1626a_100015191253_100015343762 [2,0,0,0,0,0|2,0,0]=4 425 B7R0.4 C=CCCNC(=O)C 240690a_100015191253_100015343762 [2,0,0,0,0,0|2,0,0]=4 426 B7R0.4 C=CCCNC(=O)C 527a_100015191253_100103153847 [2,0,0,0,0,0|2,0,0]=4 427 B7R0.4 C=CCNCC(=O)N 2230a_100000711301_100000210623 [2,0,0,0,0,0|1,0,1]=4 428 B7R0.4 C=CCNCC(=O)N 2230a_100020586998_100000747473 [2,0,0,0,0,0|1,0,1]=4 429 B7R0.4 C=CCNCC(=O)O 269956a_100016091260_100000210623 [2,0,0,0,0,0|1,0,0]=3 430 B7R0.4 C=CCNCC(C)O 2230a_100000210904_100000210623 [2,0,0,0,0,0|2,0,0]=4 431 B7R0.4 C=CCNCC(C)O 2230a_100020586998_100011218427 [2,0,0,0,0,0|2,0,0]=4 432 B7R0.4 C=CCNCC(C)O 34a_100000210904_100015514636 [2,0,0,0,0,0|2,0,0]=4 433 B7R0.4 C=CCNC[C@@H](C)O 2230a_100020586998_100009817552 [2,0,0,0,0,0|2,0,0]=4 434 B7R0.4 C=CCOCC(=O)C 34a_100000211253_100015514636 [2,0,0,0,0,0|1,1,0]=4 435 B7R0.4 C=CCOCC(=O)N 34a_200000210373_100000187820 [2,0,0,0,0,0|0,1,1]=4 436 B7R0.4 C=CCOCC(=O)[O-] 34a_200000210373_100020667443 [2,0,0,0,0,0|0,1,1]=4 437 B7R0.4 C=CCOCC(C)O 34a_200000210373_100011218427 [2,0,0,0,0,0|1,1,0]=4 438 B7R0.4 C=CCOC[C@@H](C)N 34a_100000737577_100015514636 [2,0,0,0,0,0|0,1,1]=4 439 B7R0.4 C=CCOC[C@@H](C)O 34a_200000210373_100009817552 [2,0,0,0,0,0|1,1,0]=4 440 B7R0.4 C=CCSCC(=C)C 62a_100000210623_100000211660 [2,0,0,0,0,0|1,0,1]=4 441 B7R0.4 C=CCSCC(=C)C 62a_100000748629_100000210623 [2,0,0,0,0,0|1,0,1]=4 442 B7R0.4 C=CCSCC(=C)F 62a_100000042424_100000210623 [2,0,0,0,0,0|1,0,1]=4 443 B7R0.4 C=CCSCC(=C)F 62a_100000210623_100000042424 [2,0,0,0,0,0|1,0,1]=4 444 B7R0.4 C=CCSCC(=O)C 1458a_100000230395_200000210301 [2,0,0,0,0,0|1,0,0]=3 445 B7R0.4 C=CCSCC(=O)N 62a_100000210623_100000747473 [2,0,0,0,0,0|0,0,1]=3 446 B7R0.4 C=CCSCC(=O)N 62a_100000747473_100000210623 [2,0,0,0,0,0|0,0,1]=3 447 B7R0.4 C=CCSCC(=O)[13CH3] 1458a_100000230395_200025704644 [2,0,0,0,0,0|1,0,0]=3 448 B7R0.4 C=CCSCC(=O)[O-] 62a_100000210623_100020667443 [2,0,0,0,0,0|0,0,1]=3 449 B7R0.4 C=CCSCC(=O)[O-] 62a_100020667443_100000210623 [2,0,0,0,0,0|0,0,1]=3 450 B7R0.4 C=CCSCC(C)C 62a_100000210623_100000210760 [2,0,0,0,0,0|1,0,1]=4 451 B7R0.4 C=CCSCC(C)C 62a_100000210624_100000210623 [2,0,0,0,0,0|1,0,1]=4 452 B7R0.4 C=CCSCC(C)O 62a_100000210623_100011218427 [2,0,0,0,0,0|1,0,0]=3 453 B7R0.4 C=CCSCC(C)O 62a_100011218427_100000210623 [2,0,0,0,0,0|1,0,0]=3 454 B7R0.4 C=CCSCC(F)F 62a_100000210623_100011934356 [2,0,0,0,0,0|2,0,0]=4 455 B7R0.4 C=CCSCC(F)F 62a_100011934356_100000210623 [2,0,0,0,0,0|2,0,0]=4 456 B7R0.4 C=CCSC[C@@H](C)O 62a_100000210623_100009817552 [2,0,0,0,0,0|1,0,0]=3 457 B7R0.4 C=CCSC[C@@H](C)O 62a_100009817552_100000210623 [2,0,0,0,0,0|1,0,0]=3 458 B7R0.4 C=CCSC[N+](=O)[O-] 62a_100000210623_100000761209 [2,0,0,0,0,0|1,0,1]=4 459 B7R0.4 C=COCCC(=O)C 1458a_100000070787_100000039644 [2,0,0,0,0,0|1,1,0]=4 460 B7R0.4 CC(=O)CCSCF 62a_100000053229_100015361967 [2,0,0,0,0,0|2,0,0]=4 461 B7R0.4 CC(=O)CCSCF 62a_100015361967_100000053229 [2,0,0,0,0,0|2,0,0]=4 462 B7R0.4 CC(O)CSCC=O 62a_100011218427_200015260668 [2,0,0,0,0,0|2,0,0]=4 463 B7R0.4 CC(O)CSCC=O 62a_200015260668_100011218427 [2,0,0,0,0,0|2,0,0]=4 464 B7R0.4 CCSCCC(=O)C 1458a_100000070787_100000757381 [2,0,0,0,0,0|1,0,1]=4 465 B7R0.4 CCSCCC(=O)C 1458a_100000230768_200000210301 [2,0,0,0,0,0|1,0,1]=4 466 B7R0.4 CCSCCC(=O)C 62a_100000053229_100000210202 [2,0,0,0,0,0|1,0,1]=4 467 B7R0.4 CCSCCC(=O)C 62a_100000210202_100000053229 [2,0,0,0,0,0|1,0,1]=4 468 B7R0.4 CCSCCC(=O)N 62a_100000210202_100000744528 [2,0,0,0,0,0|1,0,1]=4 469 B7R0.4 CCSCCC(=O)N 62a_100000744528_100000210202 [2,0,0,0,0,0|1,0,1]=4 470 B7R0.4 CCSCCC(=O)[13CH3] 1458a_100000230768_200025704644 [2,0,0,0,0,0|1,0,1]=4 471 B7R0.4 C[C@@H](O)CSCC=O 62a_100009817552_200015260668 [2,0,0,0,0,0|2,0,0]=4 472 B7R0.4 C[C@@H](O)CSCC=O 62a_200015260668_100009817552 [2,0,0,0,0,0|2,0,0]=4 473 B7R0.4 NC(=O)CCSCF 62a_100000744528_100015361967 [2,0,0,0,0,0|2,0,0]=4 474 B7R0.4 NC(=O)CCSCF 62a_100015361967_100000744528 [2,0,0,0,0,0|2,0,0]=4 475 B7R0.4 NC(=O)CSCC=O 62a_100000747473_200015260668 [2,0,0,0,0,0|1,0,1]=4 476 B7R0.4 NC(=O)CSCC=O 62a_200015260668_100000747473 [2,0,0,0,0,0|1,0,1]=4 477 B7R0.4 O=CCNCC(=O)O 269956a_100016091260_200015260668 [2,0,0,0,0,0|2,0,0]=4 478 B7R0.4 O=CCSCC(=O)[O-] 62a_100020667443_200015260668 [2,0,0,0,0,0|1,0,1]=4 479 B7R0.4 O=CCSCC(=O)[O-] 62a_200015260668_100020667443 [2,0,0,0,0,0|1,0,1]=4 480 B7R0.5 C=CCC(C)C(=O)C 1458a_100011216819_200000210301 [2,0,0,0,0,0|2,0,0]=4 481 B7R0.5 C=CCC(C)C(=O)[13CH3] 1458a_100011216819_200025704644 [2,0,0,0,0,0|2,0,0]=4 482 B7R0.5 CC(CN[13CH3])C(=O)O 269956a_100000749485_200025704644 [2,0,0,0,0,0|2,0,0]=4 483 B7R0.5 CNCC(C)C(=O)O 269956a_100000749485_200000210301 [2,0,0,0,0,0|2,0,0]=4 484 B7R0.5 CNCC(F)C(=O)O 269956a_100000084737_200000210301 [2,0,0,0,0,0|2,0,0]=4 485 B7R0.5 COC[C@H](N)C(=O)N 34a_100000729942_200000210301 [2,0,0,0,0,0|1,1,0]=4 486 B7R0.5 CSCC(C)C(=O)C 1458a_100000753918_200000210301 [2,0,0,0,0,0|2,0,0]=4 487 B7R0.5 CSCC(C)C(=O)[13CH3] 1458a_100000753918_200025704644 [2,0,0,0,0,0|2,0,0]=4 488 B7R0.5 [13CH3]NCC(F)C(=O)O 269956a_100000084737_200025704644 [2,0,0,0,0,0|2,0,0]=4 489 B7R0.5 [13CH3]OC[C@H](N)C(=O)N 34a_100000729942_200025704644 [2,0,0,0,0,0|1,1,0]=4 490 B9R0.1 C=C(C)CSCC(O)CO 62a_100000748629_100011219619 [1,1,0,0,0,0|1,0,1]=4 491 B9R0.1 C=C(C)CSCC(O)CO 62a_100011219619_100000211660 [1,1,0,0,0,0|1,0,1]=4 492 B9R0.1 C=C(C)CSC[C@@H](C)CO 62a_100000059175_100000211660 [1,1,0,0,0,0|1,0,1]=4 493 B9R0.1 C=C(C)CSC[C@@H](C)CO 62a_100000748629_100000059175 [1,1,0,0,0,0|1,0,1]=4 494 B9R0.1 C=C(C)CSC[C@@H](O)CO 62a_100000748629_100009815848 [1,1,0,0,0,0|1,0,1]=4 495 B9R0.1 C=C(C)CSC[C@@H](O)CO 62a_100009815848_100000211660 [1,1,0,0,0,0|1,0,1]=4 496 B9R0.1 C=C(F)CSCC(O)CO 62a_100000042424_100011219619 [1,1,0,0,0,0|1,0,1]=4 497 B9R0.1 C=C(F)CSCC(O)CO 62a_100011219619_100000042424 [1,1,0,0,0,0|1,0,1]=4 498 B9R0.1 C=C(F)CSC[C@@H](C)CO 62a_100000042424_100000059175 [1,1,0,0,0,0|1,0,1]=4 499 B9R0.1 C=C(F)CSC[C@@H](C)CO 62a_100000059175_100000042424 [1,1,0,0,0,0|1,0,1]=4 500 B9R0.1 C=C(F)CSC[C@@H](O)CO 62a_100000042424_100009815848 [1,1,0,0,0,0|1,0,1]=4 501 B9R0.1 C=C(F)CSC[C@@H](O)CO 62a_100009815848_100000042424 [1,1,0,0,0,0|1,0,1]=4 502 B9R0.1 C=CC(O)CSCC(=C)C 62a_100000730141_100000211660 [1,1,0,0,0,0|2,0,0]=4 503 B9R0.1 C=CC(O)CSCC(=C)C 62a_100000748629_100000730141 [1,1,0,0,0,0|2,0,0]=4 504 B9R0.1 C=CC(O)CSCC(=C)F 62a_100000042424_100000730141 [1,1,0,0,0,0|2,0,0]=4 505 B9R0.1 C=CC(O)CSCC(=C)F 62a_100000730141_100000042424 [1,1,0,0,0,0|2,0,0]=4 506 B9R0.1 C=C[C@H](N)COCC(=C)C 34a_100016989147_100000748629 [1,1,0,0,0,0|1,1,0]=4 507 B9R0.1 C=C[C@H](N)COCC(=C)F 34a_100016989147_100009893438 [1,1,0,0,0,0|1,1,0]=4 508 B9R0.5 C=CCOCC(N)COC 34a_100000724102_100015514636 [1,1,0,0,0,0|0,1,1]=4 509 B9R0.5 C=CCOC[C@H](N)CC=C 34a_100020615467_100015514636 [1,1,0,0,0,0|1,1,0]=4 510 B9R0.5 C=CCSCC(O)COC 62a_100000210623_100011215053 [1,1,0,0,0,0|1,0,1]=4 511 B9R0.5 C=CCSCC(O)COC 62a_100011215053_100000210623 [1,1,0,0,0,0|1,0,1]=4 512 B9R0.20 C=CCSCC(C)(C)CO 62a_100000210623_100009813988 [1,1,0,0,0,0|1,0,1]=4 513 B9R0.20 C=CCSCC(C)(C)CO 62a_100009813988_100000210623 [1,1,0,0,0,0|1,0,1]=4 514 B9R0.24 C=CC(C)SCC(O)CO 62a_100011215867_100011219619 [1,1,0,0,0,0|1,0,1]=4 515 B9R0.24 C=CC(C)SC[C@@H](C)CO 62a_100011215867_100000059175 [1,1,0,0,0,0|1,0,1]=4 516 B9R0.24 C=CC(C)SC[C@@H](O)CO 62a_100011215867_100009815848 [1,1,0,0,0,0|1,0,1]=4 517 B9R0.24 C=CC(O)CSC(C)C=C 62a_100011215867_100000730141 [1,1,0,0,0,0|2,0,0]=4 518 B9R0.46 C/C=C/CSCC(O)CO 62a_100011219619_100102629194 [1,1,0,0,0,0|1,0,1]=4 519 B9R0.46 C/C=C/CSCC(O)CO 62a_100102629194_100011219619 [1,1,0,0,0,0|1,0,1]=4 520 B9R0.46 C/C=C/CSC[C@@H](C)CO 62a_100000059175_100102629194 [1,1,0,0,0,0|1,0,1]=4 521 B9R0.46 C/C=C/CSC[C@@H](C)CO 62a_100102629194_100000059175 [1,1,0,0,0,0|1,0,1]=4 522 B9R0.46 C/C=C/CSC[C@@H](O)CO 62a_100009815848_100102629194 [1,1,0,0,0,0|1,0,1]=4 523 B9R0.46 C/C=C/CSC[C@@H](O)CO 62a_100102629194_100009815848 [1,1,0,0,0,0|1,0,1]=4 524 B9R0.46 C=CC(O)CSC/C=C/C 62a_100000730141_100102629194 [1,1,0,0,0,0|2,0,0]=4 525 B9R0.46 C=CC(O)CSC/C=C/C 62a_100102629194_100000730141 [1,1,0,0,0,0|2,0,0]=4 526 B9R0.46 C=CC(O)CSCC=CC 62a_100000070051_100000730141 [1,1,0,0,0,0|2,0,0]=4 527 B9R0.46 C=CC(O)CSCC=CC 62a_100000730141_100000070051 [1,1,0,0,0,0|2,0,0]=4 528 B9R0.46 C=CCCOC[C@@H](N)C=C 34a_100016989147_100000754431 [1,1,0,0,0,0|1,1,0]=4 529 B9R0.46 C=CCCSCC(O)C=C 62a_100000730141_100000754431 [1,1,0,0,0,0|2,0,0]=4 530 B9R0.46 C=CCCSCC(O)C=C 62a_100000754431_100000730141 [1,1,0,0,0,0|2,0,0]=4 531 B9R0.46 C=CCCSCC(O)CO 62a_100000754431_100011219619 [1,1,0,0,0,0|1,0,1]=4 532 B9R0.46 C=CCCSCC(O)CO 62a_100011219619_100000754431 [1,1,0,0,0,0|1,0,1]=4 533 B9R0.46 C=CCCSC[C@@H](C)CO 62a_100000059175_100000754431 [1,1,0,0,0,0|1,0,1]=4 534 B9R0.46 C=CCCSC[C@@H](C)CO 62a_100000754431_100000059175 [1,1,0,0,0,0|1,0,1]=4 535 B9R0.46 C=CCCSC[C@@H](O)CO 62a_100000754431_100009815848 [1,1,0,0,0,0|1,0,1]=4 536 B9R0.46 C=CCCSC[C@@H](O)CO 62a_100009815848_100000754431 [1,1,0,0,0,0|1,0,1]=4 537 B9R0.46 C=C[C@H](N)COC/C=C/C 34a_100016989147_100102629194 [1,1,0,0,0,0|1,1,0]=4 538 B9R0.46 C=C[C@H](N)COCC=CC 34a_100016989147_100000070051 [1,1,0,0,0,0|1,1,0]=4 539 B9R0.46 CC=CCSCC(O)CO 62a_100000070051_100011219619 [1,1,0,0,0,0|1,0,1]=4 540 B9R0.46 CC=CCSCC(O)CO 62a_100011219619_100000070051 [1,1,0,0,0,0|1,0,1]=4 541 B9R0.46 CC=CCSC[C@@H](C)CO 62a_100000059175_100000070051 [1,1,0,0,0,0|1,0,1]=4 542 B9R0.46 CC=CCSC[C@@H](C)CO 62a_100000070051_100000059175 [1,1,0,0,0,0|1,0,1]=4 543 B9R0.46 CC=CCSC[C@@H](O)CO 62a_100000070051_100009815848 [1,1,0,0,0,0|1,0,1]=4 544 B9R0.46 CC=CCSC[C@@H](O)CO 62a_100009815848_100000070051 [1,1,0,0,0,0|1,0,1]=4 545 B9R0.2 C/C=C/CNOCC(=O)O 269956a_100000106656_100102629194 [1,1,0,0,0,0|2,0,0]=4 546 B9R0.2 C/C=C/COCCC(=O)C 34a_100000759926_100102629194 [1,1,0,0,0,0|1,1,0]=4 547 B9R0.2 C/C=C/COCCC(=O)C 7a_100000759926_100102629194 [1,1,0,0,0,0|1,1,0]=4 548 B9R0.2 C/C=C/COCCC(=O)N 34a_100000757172_100102629194 [1,1,0,0,0,0|1,1,0]=4 549 B9R0.2 C/C=C/COCCC(=O)N 34a_100016270725_100000731001 [1,1,0,0,0,0|1,1,0]=4 550 B9R0.2 C/C=C/COCCC(=O)N 7a_100000757172_100102629194 [1,1,0,0,0,0|1,1,0]=4 551 B9R0.2 C/C=C/CSCCC(=O)C 62a_100000053229_100102629194 [1,1,0,0,0,0|1,0,0]=3 552 B9R0.2 C/C=C/CSCCC(=O)C 62a_100102629194_100000053229 [1,1,0,0,0,0|1,0,0]=3 553 B9R0.2 C/C=C/CSCCC(=O)N 62a_100000744528_100102629194 [1,1,0,0,0,0|1,0,0]=3 554 B9R0.2 C/C=C/CSCCC(=O)N 62a_100102629194_100000744528 [1,1,0,0,0,0|1,0,0]=3 555 B9R0.2 C/C=C/CSCCC(C)O 62a_100012276601_100102629194 [1,1,0,0,0,0|1,0,1]=4 556 B9R0.2 C/C=C/CSCCC(C)O 62a_100102629194_100012276601 [1,1,0,0,0,0|1,0,1]=4 557 B9R0.2 C/C=C/CSCOC(=O)C 62a_100000076356_100102629194 [1,1,0,0,0,0|2,0,0]=4 558 B9R0.2 C/C=C/CSCOC(=O)C 62a_100102629194_100000076356 [1,1,0,0,0,0|2,0,0]=4 559 B9R0.2 C=C(C)CCSC/C=C/C 62a_100000730704_100102629194 [1,1,0,0,0,0|2,0,0]=4 560 B9R0.2 C=C(C)CCSC/C=C/C 62a_100102629194_100000730704 [1,1,0,0,0,0|2,0,0]=4 561 B9R0.2 C=C(C)CCSCC=CC 62a_100000070051_100000730704 [1,1,0,0,0,0|2,0,0]=4 562 B9R0.2 C=C(C)CCSCC=CC 62a_100000730704_100000070051 [1,1,0,0,0,0|2,0,0]=4 563 B9R0.2 C=CCCCCCC(=O)C 1458a_100000070787_100000700193 [1,1,0,0,0,0|2,0,0]=4 564 B9R0.2 C=CCCCCCC(=O)C 1458a_100011934241_200000210301 [1,1,0,0,0,0|2,0,0]=4 565 B9R0.2 C=CCCCCCC(=O)[13CH3] 1458a_100011934241_200025704644 [1,1,0,0,0,0|2,0,0]=4 566 B9R0.2 C=CCCCCNC(=O)C 11a_100000703577_100015343762 [1,1,0,0,0,0|2,0,0]=4 567 B9R0.2 C=CCCCCNC(=O)C 1626a_100000703577_100015343762 [1,1,0,0,0,0|2,0,0]=4 568 B9R0.2 C=CCCCCNC(=O)C 240690a_100000703577_100015343762 [1,1,0,0,0,0|2,0,0]=4 569 B9R0.2 C=CCCCCNC(=O)C 527a_100000703577_100103153847 [1,1,0,0,0,0|2,0,0]=4 570 B9R0.2 C=CCCCNCC(=O)N 2230a_100000700776_100000747473 [1,1,0,0,0,0|2,0,0]=4 571 B9R0.2 C=CCCCNCC(=O)N 2230a_100000711301_100011713584 [1,1,0,0,0,0|2,0,0]=4 572 B9R0.2 C=CCCCNCC(=O)N 34a_100000700776_100000187820 [1,1,0,0,0,0|2,0,0]=4 573 B9R0.2 C=CCCCNCC(=O)O 269956a_100016091260_100011713584 [1,1,0,0,0,0|1,0,0]=3 574 B9R0.2 C=CCCCNCC(=O)[O-] 34a_100000700776_100020667443 [1,1,0,0,0,0|1,0,1]=4 575 B9R0.2 C=CCCCOCC(=O)C 34a_100000211253_100000757094 [1,1,0,0,0,0|2,0,0]=4 576 B9R0.2 C=CCCCOCC(=O)N 34a_100000758997_100000187820 [1,1,0,0,0,0|2,0,0]=4 577 B9R0.2 C=CCCCOCC(=O)N 7a_100000758997_100000187820 [1,1,0,0,0,0|2,0,0]=4 578 B9R0.2 C=CCCCOCC(=O)[O-] 34a_100000758997_100020667443 [1,1,0,0,0,0|1,0,1]=4 579 B9R0.2 C=CCCCSCC(=O)N 62a_100000747473_100000757094 [1,1,0,0,0,0|2,0,0]=4 580 B9R0.2 C=CCCCSCC(=O)N 62a_100011713584_100000747473 [1,1,0,0,0,0|2,0,0]=4 581 B9R0.2 C=CCCCSCC(=O)[O-] 62a_100011713584_100020667443 [1,1,0,0,0,0|1,0,1]=4 582 B9R0.2 C=CCCCSCC(=O)[O-] 62a_100020667443_100000757094 [1,1,0,0,0,0|1,0,1]=4 583 B9R0.2 C=CCCNCCC(=O)N 2230a_100015191253_100000744528 [1,1,0,0,0,0|2,0,0]=4 584 B9R0.2 C=CCCNOCC(=O)O 269956a_100000106656_100000754431 [1,1,0,0,0,0|2,0,0]=4 585 B9R0.2 C=CCCOCCC(=O)C 34a_100000759926_100000754431 [1,1,0,0,0,0|1,1,0]=4 586 B9R0.2 C=CCCOCCC(=O)C 7a_100000759926_100000754431 [1,1,0,0,0,0|1,1,0]=4 587 B9R0.2 C=CCCOCCC(=O)N 34a_100000757172_100000754431 [1,1,0,0,0,0|1,1,0]=4 588 B9R0.2 C=CCCOCCC(=O)N 34a_100011205117_100000731001 [1,1,0,0,0,0|1,1,0]=4 589 B9R0.2 C=CCCOCCC(=O)N 7a_100000757172_100000754431 [1,1,0,0,0,0|1,1,0]=4 590 B9R0.2 C=CCCSCCC(=C)C 62a_100000730704_100000754431 [1,1,0,0,0,0|2,0,0]=4 591 B9R0.2 C=CCCSCCC(=C)C 62a_100000754431_100000730704 [1,1,0,0,0,0|2,0,0]=4 592 B9R0.2 C=CCCSCCC(=O)C 62a_100000053229_100000754431 [1,1,0,0,0,0|1,0,0]=3 593 B9R0.2 C=CCCSCCC(=O)C 62a_100000754431_100000053229 [1,1,0,0,0,0|1,0,0]=3 594 B9R0.2 C=CCCSCCC(=O)N 62a_100000744528_100000754431 [1,1,0,0,0,0|1,0,0]=3 595 B9R0.2 C=CCCSCCC(=O)N 62a_100000754431_100000744528 [1,1,0,0,0,0|1,0,0]=3 596 B9R0.2 C=CCCSCCC(C)O 62a_100000754431_100012276601 [1,1,0,0,0,0|1,0,1]=4 597 B9R0.2 C=CCCSCCC(C)O 62a_100012276601_100000754431 [1,1,0,0,0,0|1,0,1]=4 598 B9R0.2 C=CCCSCOC(=O)C 62a_100000076356_100000754431 [1,1,0,0,0,0|2,0,0]=4 599 B9R0.2 C=CCCSCOC(=O)C 62a_100000754431_100000076356 [1,1,0,0,0,0|2,0,0]=4 600 B9R0.2 C=CCNCCCC(=O)N 34a_100000739312_100015514636 [1,1,0,0,0,0|2,0,0]=4 601 B9R0.2 C=CCNCCNC(=O)C 2230a_100000209853_100000210623 [1,1,0,0,0,0|2,0,0]=4 602 B9R0.2 C=CCNCCNC(=O)C 2230a_100020586998_100000189650 [1,1,0,0,0,0|2,0,0]=4 603 B9R0.2 C=CCNCCNC(=O)N 2230a_100020586998_200000034859 [1,1,0,0,0,0|2,0,0]=4 604 B9R0.2 C=CCNCCNC(=O)N 34a_100020590234_100015514636 [1,1,0,0,0,0|2,0,0]=4 605 B9R0.2 C=CCOCCCC(=O)C 34a_100000759063_100015514636 [1,1,0,0,0,0|1,1,0]=4 606 B9R0.2 C=CCOCCCC(=O)C 34a_200000210373_100000685027 [1,1,0,0,0,0|1,1,0]=4 607 B9R0.2 C=CCOCCCC(=O)C 7a_100000759063_100015514636 [1,1,0,0,0,0|1,1,0]=4 608 B9R0.2 C=CCOCCCC(=O)N 34a_200000210373_100102525003 [1,1,0,0,0,0|1,1,0]=4 609 B9R0.2 C=CCOCCNC(=O)C 34a_100000158858_100015514636 [1,1,0,0,0,0|1,1,0]=4 610 B9R0.2 C=CCOCCNC(=O)N 34a_100000181757_100015514636 [1,1,0,0,0,0|1,1,0]=4 611 B9R0.2 C=CCOCCOC(=O)C 34a_200000210373_100009814007 [1,1,0,0,0,0|1,1,0]=4 612 B9R0.2 C=CCOCCOC(=O)N 34a_200000210373_200011214921 [1,1,0,0,0,0|1,1,0]=4 613 B9R0.2 C=CCOCCOC(=O)N 7a_100000766696_100015514636 [1,1,0,0,0,0|1,1,0]=4 614 B9R0.2 C=CCSCCC=C(C)C 62a_100000210623_100011217483 [1,1,0,0,0,0|2,0,0]=4 615 B9R0.2 C=CCSCCC=C(C)C 62a_100011217483_100000210623 [1,1,0,0,0,0|2,0,0]=4 616 B9R0.2 C=CCSCCC=C(F)F 62a_100000210623_200009816681 [1,1,0,0,0,0|2,0,0]=4 617 B9R0.2 C=CCSCCC=C(F)F 62a_200009816681_100000210623 [1,1,0,0,0,0|2,0,0]=4 618 B9R0.2 C=CCSCCCC(=O)C 62a_100000210623_100011215641 [1,1,0,0,0,0|1,0,0]=3 619 B9R0.2 C=CCSCCCC(=O)C 62a_100011215641_100000210623 [1,1,0,0,0,0|1,0,0]=3 620 B9R0.2 C=CCSCCCC(=O)N 62a_100000210623_100102525003 [1,1,0,0,0,0|1,0,0]=3 621 B9R0.2 C=CCSCCCC(=O)N 62a_100102525003_100000210623 [1,1,0,0,0,0|1,0,0]=3 622 B9R0.2 C=CCSCCCC(C)O 62a_100000210623_200000718107 [1,1,0,0,0,0|1,0,1]=4 623 B9R0.2 C=CCSCCCC(C)O 62a_200000718107_100000210623 [1,1,0,0,0,0|1,0,1]=4 624 B9R0.2 C=CCSCCNC(=O)C 62a_100000189650_100000210623 [1,1,0,0,0,0|1,0,0]=3 625 B9R0.2 C=CCSCCNC(=O)C 62a_100000210623_100000189650 [1,1,0,0,0,0|1,0,0]=3 626 B9R0.2 C=CCSCCNC(=O)N 62a_100000210623_200000034859 [1,1,0,0,0,0|1,0,0]=3 627 B9R0.2 C=CCSCCNC(=O)N 62a_200000034859_100000210623 [1,1,0,0,0,0|1,0,0]=3 628 B9R0.2 C=CCSCCOC(=O)C 62a_100000210623_100009814007 [1,1,0,0,0,0|1,0,0]=3 629 B9R0.2 C=CCSCCOC(=O)C 62a_100009814007_100000210623 [1,1,0,0,0,0|1,0,0]=3 630 B9R0.2 C=CCSCCOC(=O)N 62a_100000210623_200011214921 [1,1,0,0,0,0|1,0,0]=3 631 B9R0.2 C=CCSCCOC(=O)N 62a_200011214921_100000210623 [1,1,0,0,0,0|1,0,0]=3 632 B9R0.2 C=COCCNCC(=O)O 269956a_100016091260_100000039644 [1,1,0,0,0,0|2,0,0]=4 633 B9R0.2 CC(=O)CCCSCC=O 62a_100011215641_200015260668 [1,1,0,0,0,0|2,0,0]=4 634 B9R0.2 CC(=O)CCCSCC=O 62a_200015260668_100011215641 [1,1,0,0,0,0|2,0,0]=4 635 B9R0.2 CC(=O)NCCSCC=O 62a_100000189650_200015260668 [1,1,0,0,0,0|2,0,0]=4 636 B9R0.2 CC(=O)NCCSCC=O 62a_200015260668_100000189650 [1,1,0,0,0,0|2,0,0]=4 637 B9R0.2 CC(=O)OCCSCC=O 62a_100009814007_200015260668 [1,1,0,0,0,0|2,0,0]=4 638 B9R0.2 CC(=O)OCCSCC=O 62a_200015260668_100009814007 [1,1,0,0,0,0|2,0,0]=4 639 B9R0.2 CC=CCOCCC(=O)C 34a_100000759926_100000070051 [1,1,0,0,0,0|1,1,0]=4 640 B9R0.2 CC=CCOCCC(=O)C 7a_100000759926_100000070051 [1,1,0,0,0,0|1,1,0]=4 641 B9R0.2 CC=CCOCCC(=O)N 34a_100000757172_100000070051 [1,1,0,0,0,0|1,1,0]=4 642 B9R0.2 CC=CCOCCC(=O)N 7a_100000757172_100000070051 [1,1,0,0,0,0|1,1,0]=4 643 B9R0.2 CC=CCSCCC(=O)C 62a_100000053229_100000070051 [1,1,0,0,0,0|1,0,0]=3 644 B9R0.2 CC=CCSCCC(=O)C 62a_100000070051_100000053229 [1,1,0,0,0,0|1,0,0]=3 645 B9R0.2 CC=CCSCCC(=O)N 62a_100000070051_100000744528 [1,1,0,0,0,0|1,0,0]=3 646 B9R0.2 CC=CCSCCC(=O)N 62a_100000744528_100000070051 [1,1,0,0,0,0|1,0,0]=3 647 B9R0.2 CC=CCSCCC(C)O 62a_100000070051_100012276601 [1,1,0,0,0,0|1,0,1]=4 648 B9R0.2 CC=CCSCCC(C)O 62a_100012276601_100000070051 [1,1,0,0,0,0|1,0,1]=4 649 B9R0.2 CC=CCSCOC(=O)C 62a_100000070051_100000076356 [1,1,0,0,0,0|2,0,0]=4 650 B9R0.2 CC=CCSCOC(=O)C 62a_100000076356_100000070051 [1,1,0,0,0,0|2,0,0]=4 651 B9R0.2 NC(=O)CCCSCC=O 62a_100102525003_200015260668 [1,1,0,0,0,0|2,0,0]=4 652 B9R0.2 NC(=O)CCCSCC=O 62a_200015260668_100102525003 [1,1,0,0,0,0|2,0,0]=4 653 B9R0.2 NC(=O)NCCSCC=O 62a_200000034859_200015260668 [1,1,0,0,0,0|2,0,0]=4 654 B9R0.2 NC(=O)NCCSCC=O 62a_200015260668_200000034859 [1,1,0,0,0,0|2,0,0]=4 655 B9R0.2 NC(=O)OCCSCC=O 62a_200011214921_200015260668 [1,1,0,0,0,0|2,0,0]=4 656 B9R0.2 NC(=O)OCCSCC=O 62a_200015260668_200011214921 [1,1,0,0,0,0|2,0,0]=4 657 B9R0.2 O=CCCCNCC(=O)O 269956a_100016091260_200011292268 [1,1,0,0,0,0|2,0,0]=4 658 B9R0.4 C=CCCN(C)CC(=O)O 269956a_100000746989_100000754431 [1,1,0,0,0,0|2,0,0]=4 659 B9R0.4 C=CCSC(C)OC(=O)C 62a_100000210623_100009818208 [1,1,0,0,0,0|2,0,0]=4 660 B9R0.4 C=CCSC(C)OC(=O)C 62a_100009818208_100000210623 [1,1,0,0,0,0|2,0,0]=4 661 B9R0.38 C=CCSCCC(C)(C)O 62a_100000210623_100000702414 [1,1,0,0,0,0|1,0,1]=4 662 B9R0.38 C=CCSCCC(C)(C)O 62a_100000702414_100000210623 [1,1,0,0,0,0|1,0,1]=4 663 B9R0.38 C=CCSCCS(=O)(=O)C 62a_100000210623_100000230027 [1,1,0,0,0,0|1,0,1]=4 664 B9R0.38 C=CCSCCS(=O)(=O)C 62a_100000731031_100000210623 [1,1,0,0,0,0|1,0,1]=4 665 B9R0.38 C=CCSCCS(=O)(=O)[O-] 62a_100000210623_100000762736 [1,1,0,0,0,0|1,0,1]=4 666 B9R0.38 C=CCSCCS(=O)(=O)[O-] 62a_100000762736_100000210623 [1,1,0,0,0,0|1,0,1]=4 667 B9R0.48 C=CCC(=O)CCC(=O)N 1458a_100011215257_100000210623 [1,1,0,0,0,0|2,0,0]=4 668 B9R0.48 C=CCN(C)CCC(=O)C 269982a_100000225617_100000053229 [1,1,0,0,0,0|2,0,0]=4 669 B9R0.48 C=CCN(C)CCC(=O)N 2230a_100000225617_100000744528 [1,1,0,0,0,0|2,0,0]=4 670 B9R0.48 C=CCN(C)CCC(=O)N 2230a_100000730477_100000210623 [1,1,0,0,0,0|2,0,0]=4 671 B9R0.48 C=CCN(C)CCC(=O)N 269982a_100000225617_100000744528 [1,1,0,0,0,0|2,0,0]=4 672 B9R0.55 C=C(C)CCNCC(=O)O 269956a_100016091260_100000730704 [1,1,0,0,0,0|2,0,0]=4 673 B9R0.55 C=C(C)CCSCC(=C)C 62a_100000730704_100000211660 [1,1,0,0,0,0|2,0,0]=4 674 B9R0.55 C=C(C)CCSCC(=C)C 62a_100000748629_100000730704 [1,1,0,0,0,0|2,0,0]=4 675 B9R0.55 C=C(C)CCSCC(=C)F 62a_100000042424_100000730704 [1,1,0,0,0,0|2,0,0]=4 676 B9R0.55 C=C(C)CCSCC(=C)F 62a_100000730704_100000042424 [1,1,0,0,0,0|2,0,0]=4 677 B9R0.55 C=C(C)CNOCC(=O)O 269956a_100000106656_100000748629 [1,1,0,0,0,0|2,0,0]=4 678 B9R0.55 C=C(C)COCCC(=O)C 34a_100000759926_100000748629 [1,1,0,0,0,0|1,1,0]=4 679 B9R0.55 C=C(C)COCCC(=O)C 7a_100000759926_100000748629 [1,1,0,0,0,0|1,1,0]=4 680 B9R0.55 C=C(C)COCCC(=O)N 34a_100000210245_100000731001 [1,1,0,0,0,0|1,1,0]=4 681 B9R0.55 C=C(C)COCCC(=O)N 34a_100000757172_100000748629 [1,1,0,0,0,0|1,1,0]=4 682 B9R0.55 C=C(C)COCCC(=O)N 7a_100000757172_100000748629 [1,1,0,0,0,0|1,1,0]=4 683 B9R0.55 C=C(C)CSCCC(=O)C 62a_100000053229_100000211660 [1,1,0,0,0,0|1,0,0]=3 684 B9R0.55 C=C(C)CSCCC(=O)C 62a_100000748629_100000053229 [1,1,0,0,0,0|1,0,0]=3 685 B9R0.55 C=C(C)CSCCC(=O)N 62a_100000744528_100000211660 [1,1,0,0,0,0|1,0,0]=3 686 B9R0.55 C=C(C)CSCCC(=O)N 62a_100000748629_100000744528 [1,1,0,0,0,0|1,0,0]=3 687 B9R0.55 C=C(C)CSCCC(C)O 62a_100000748629_100012276601 [1,1,0,0,0,0|1,0,1]=4 688 B9R0.55 C=C(C)CSCCC(C)O 62a_100012276601_100000211660 [1,1,0,0,0,0|1,0,1]=4 689 B9R0.55 C=C(C)CSCOC(=O)C 62a_100000076356_100000211660 [1,1,0,0,0,0|2,0,0]=4 690 B9R0.55 C=C(C)CSCOC(=O)C 62a_100000748629_100000076356 [1,1,0,0,0,0|2,0,0]=4 691 B9R0.55 C=C(F)CNOCC(=O)O 269956a_100000106656_100000042424 [1,1,0,0,0,0|2,0,0]=4 692 B9R0.55 C=C(F)COCCC(=O)C 34a_100000759926_100009893438 [1,1,0,0,0,0|1,1,0]=4 693 B9R0.55 C=C(F)COCCC(=O)C 7a_100000759926_100000042424 [1,1,0,0,0,0|1,1,0]=4 694 B9R0.55 C=C(F)COCCC(=O)N 34a_100000757172_100009893438 [1,1,0,0,0,0|1,1,0]=4 695 B9R0.55 C=C(F)COCCC(=O)N 34a_200010262243_100000731001 [1,1,0,0,0,0|1,1,0]=4 696 B9R0.55 C=C(F)COCCC(=O)N 7a_100000757172_100000042424 [1,1,0,0,0,0|1,1,0]=4 697 B9R0.55 C=C(F)CSCCC(=O)C 62a_100000042424_100000053229 [1,1,0,0,0,0|1,0,0]=3 698 B9R0.55 C=C(F)CSCCC(=O)C 62a_100000053229_100000042424 [1,1,0,0,0,0|1,0,0]=3 699 B9R0.55 C=C(F)CSCCC(=O)N 62a_100000042424_100000744528 [1,1,0,0,0,0|1,0,0]=3 700 B9R0.55 C=C(F)CSCCC(=O)N 62a_100000744528_100000042424 [1,1,0,0,0,0|1,0,0]=3 701 B9R0.55 C=C(F)CSCCC(C)O 62a_100000042424_100012276601 [1,1,0,0,0,0|1,0,1]=4 702 B9R0.55 C=C(F)CSCCC(C)O 62a_100012276601_100000042424 [1,1,0,0,0,0|1,0,1]=4 703 B9R0.55 C=C(F)CSCOC(=O)C 62a_100000042424_100000076356 [1,1,0,0,0,0|2,0,0]=4 704 B9R0.55 C=C(F)CSCOC(=O)C 62a_100000076356_100000042424 [1,1,0,0,0,0|2,0,0]=4 705 B9R0.55 CC(=O)CCSCC(=O)N 1458a_100000148550_200000210301 [1,1,0,0,0,0|2,0,0]=4 706 B9R0.55 CC(=O)CCSCC(=O)N 62a_100000053229_100000747473 [1,1,0,0,0,0|2,0,0]=4 707 B9R0.55 CC(=O)CCSCC(=O)N 62a_100000747473_100000053229 [1,1,0,0,0,0|2,0,0]=4 708 B9R0.55 CC(=O)CCSCC(=O)[O-] 62a_100000053229_100020667443 [1,1,0,0,0,0|2,0,0]=4 709 B9R0.55 CC(=O)CCSCC(=O)[O-] 62a_100020667443_100000053229 [1,1,0,0,0,0|2,0,0]=4 710 B9R0.55 NC(=O)CCSCC(=O)N 62a_100000744528_100000747473 [1,1,0,0,0,0|2,0,0]=4 711 B9R0.55 NC(=O)CCSCC(=O)N 62a_100000747473_100000744528 [1,1,0,0,0,0|2,0,0]=4 712 B9R0.55 NC(=O)CCSCC(=O)[O-] 62a_100000744528_100020667443 [1,1,0,0,0,0|2,0,0]=4 713 B9R0.55 NC(=O)CCSCC(=O)[O-] 62a_100020667443_100000744528 [1,1,0,0,0,0|2,0,0]=4 714 B9R0.55 [13CH3]C(=O)CCSCC(=O)N 1458a_100000148550_200025704644 [1,1,0,0,0,0|2,0,0]=4 715 B9R0.6 C=CCN(C)C(C)C(=O)O 269956a_100000749554_100000210623 [1,1,0,0,0,0|2,0,0]=4 716 B9R0.7 C=C(C)CN[C@@H](C)C(=O)O 269956a_100000743915_100000748629 [1,1,0,0,0,0|2,0,0]=4 717 B9R0.7 C=C(C)CSC(C)C(=O)C 62a_100000748629_100009814033 [1,1,0,0,0,0|2,0,0]=4 718 B9R0.7 C=C(C)CSC(C)C(=O)C 62a_100009814033_100000211660 [1,1,0,0,0,0|2,0,0]=4 719 B9R0.7 C=C(C)CSC(C)C(=O)N 62a_100000702099_100000211660 [1,1,0,0,0,0|2,0,0]=4 720 B9R0.7 C=C(C)CSC(C)C(=O)N 62a_100000748629_100000702099 [1,1,0,0,0,0|2,0,0]=4 721 B9R0.7 C=C(C)CSC(F)C(=O)N 62a_100000748629_100009813875 [1,1,0,0,0,0|2,0,0]=4 722 B9R0.7 C=C(C)CSC(F)C(=O)N 62a_100009813875_100000211660 [1,1,0,0,0,0|2,0,0]=4 723 B9R0.7 C=C(C)CSC(F)C(=O)[O-] 62a_100000748629_100020610796 [1,1,0,0,0,0|1,0,1]=4 724 B9R0.7 C=C(C)CSC(F)C(=O)[O-] 62a_100020610796_100000211660 [1,1,0,0,0,0|1,0,1]=4 725 B9R0.7 C=C(F)CN[C@@H](C)C(=O)O 269956a_100000743915_100000042424 [1,1,0,0,0,0|2,0,0]=4 726 B9R0.7 C=C(F)CSC(C)C(=O)C 62a_100000042424_100009814033 [1,1,0,0,0,0|2,0,0]=4 727 B9R0.7 C=C(F)CSC(C)C(=O)C 62a_100009814033_100000042424 [1,1,0,0,0,0|2,0,0]=4 728 B9R0.7 C=C(F)CSC(C)C(=O)N 62a_100000042424_100000702099 [1,1,0,0,0,0|2,0,0]=4 729 B9R0.7 C=C(F)CSC(C)C(=O)N 62a_100000702099_100000042424 [1,1,0,0,0,0|2,0,0]=4 730 B9R0.7 C=C(F)CSC(F)C(=O)N 62a_100000042424_100009813875 [1,1,0,0,0,0|2,0,0]=4 731 B9R0.7 C=C(F)CSC(F)C(=O)N 62a_100009813875_100000042424 [1,1,0,0,0,0|2,0,0]=4 732 B9R0.7 C=C(F)CSC(F)C(=O)[O-] 62a_100000042424_100020610796 [1,1,0,0,0,0|1,0,1]=4 733 B9R0.7 C=C(F)CSC(F)C(=O)[O-] 62a_100020610796_100000042424 [1,1,0,0,0,0|1,0,1]=4 734 B9R0.13 C=CCNC(CO)C(=O)O 269956a_100000187304_100000210623 [1,1,0,0,0,0|2,0,0]=4 735 B9R0.13 C=CCN[C@@H](C=C)C(=O)O 269956a_100016992060_100000210623 [1,1,0,0,0,0|2,0,0]=4 736 B9R0.13 C=CCN[C@H](CC)C(=O)O 269956a_100000747097_100000210623 [1,1,0,0,0,0|2,0,0]=4 737 B9R0.13 C=CCSC(CC)C(=O)N 62a_100000210623_100000750255 [1,1,0,0,0,0|2,0,0]=4 738 B9R0.13 C=CCSC(CC)C(=O)N 62a_100000750255_100000210623 [1,1,0,0,0,0|2,0,0]=4 739 B9R0.13 CN[C@@H](CCSC)C(=O)O 269956a_100000743919_200000210301 [1,1,0,0,0,0|1,0,1]=4 740 B9R0.13 CN[C@@H](CC[Se]C)C(=O)O 269956a_100020619752_200000210301 [1,1,0,0,0,0|1,0,1]=4 741 B9R0.13 CSCC[C@H](N[13CH3])C(=O)O 269956a_100000743919_200025704644 [1,1,0,0,0,0|1,0,1]=4 742 B9R0.13 C[Se]CC[C@H](N[13CH3])C(=O)O 269956a_100020619752_200025704644 [1,1,0,0,0,0|1,0,1]=4 743 B9R0.42 C=CC(C)N[C@@H](C)C(=O)O 269956a_100000743915_100011215867 [1,1,0,0,0,0|2,0,0]=4 744 B9R0.42 C=CC(C)SC(C)C(=O)C 62a_100011215867_100009814033 [1,1,0,0,0,0|2,0,0]=4 745 B9R0.42 C=CC(C)SC(C)C(=O)N 62a_100011215867_100000702099 [1,1,0,0,0,0|2,0,0]=4 746 B9R0.42 C=CC(C)SC(F)C(=O)N 62a_100011215867_100009813875 [1,1,0,0,0,0|2,0,0]=4 747 B9R0.42 C=CC(C)SC(F)C(=O)[O-] 62a_100011215867_100020610796 [1,1,0,0,0,0|1,0,1]=4 748 B9R0.51 C=CCSC(C)(C)C(=O)C 62a_100000075568_100000210623 [1,1,0,0,0,0|2,0,0]=4 749 B9R0.51 C=CCSC(C)(C)C(=O)C 62a_100000210623_100000075568 [1,1,0,0,0,0|2,0,0]=4 750 B9R0.51 C=CCSC(C)(C)C(=O)N 62a_100000210623_100000702505 [1,1,0,0,0,0|2,0,0]=4 751 B9R0.51 C=CCSC(C)(C)C(=O)N 62a_100000702505_100000210623 [1,1,0,0,0,0|2,0,0]=4 752 B9R0.51 C=CCSC(F)(F)C(=O)N 62a_100000210623_100009811971 [1,1,0,0,0,0|2,0,0]=4 753 B9R0.51 C=CCSC(F)(F)C(=O)N 62a_100009811971_100000210623 [1,1,0,0,0,0|2,0,0]=4 754 B9R0.51 C=CCSC(F)(F)C(=O)[O-] 62a_100000210623_100000745680 [1,1,0,0,0,0|1,0,1]=4 755 B9R0.51 C=CCSC(F)(F)C(=O)[O-] 62a_100000745680_100000210623 [1,1,0,0,0,0|1,0,1]=4 756 B11R0.2 C/C=C/CNCC(O)CC(=O)O 269956a_100011218706_100102629194 [0,1,0,0,0,1|2,0,0]=4 757 B11R0.2 C=CCCNCC(O)CC(=O)O 269956a_100011218706_100000754431 [0,1,0,0,0,1|2,0,0]=4 758 B11R0.6 C=C(C)CNCC(O)CC(=O)O 269956a_100011218706_100000748629 [0,1,0,0,0,1|2,0,0]=4 759 B11R0.6 C=C(F)CNCC(O)CC(=O)O 269956a_100011218706_100000042424 [0,1,0,0,0,1|2,0,0]=4 760 B11R0.107 C=CC(C)NCC(O)CC(=O)O 269956a_100011218706_100011215867 [0,1,0,0,0,1|2,0,0]=4 761 B11R0.154 C=CCOC[C@H](O)CC(=O)OC 34a_200000210373_100000754131 [0,1,0,0,0,1|1,1,0]=4 762 B11R0.154 C=CCSCC(=O)CC(=O)OC 1458a_100000230395_100000747449 [0,1,0,0,0,1|1,0,1]=4 763 B11R0.154 C=CCSCC(=O)CC(=O)OC 62a_100000210525_100000210623 [0,1,0,0,0,1|1,0,1]=4 764 B11R0.154 C=CCSCC(=O)CC(=O)OC 62a_100000210623_100000210525 [0,1,0,0,0,1|1,0,1]=4 765 B11R0.154 C=CCSCC(=O)NC(=O)OC 62a_100000210623_100000010850 [0,1,0,0,0,1|1,0,1]=4 766 B11R0.154 C=CCSC[C@H](O)CC(=O)OC 62a_100000210623_100000754131 [0,1,0,0,0,1|1,0,0]=3 767 B11R0.154 C=CCSC[C@H](O)CC(=O)OC 62a_100000754131_100000210623 [0,1,0,0,0,1|1,0,0]=3 768 B11R0.154 COC(=O)C[C@@H](O)CSCC=O 62a_100000754131_200015260668 [0,1,0,0,0,1|2,0,0]=4 769 B11R0.154 COC(=O)C[C@@H](O)CSCC=O 62a_200015260668_100000754131 [0,1,0,0,0,1|2,0,0]=4 770 B11R0.187 C=CCN(C)CC(C)C(=O)OC 269982a_100000225617_100000698445 [0,2,0,0,0,0|2,0,0]=4 771 B11R0.125 C/C=C/CNCC(C)(C)C(=O)O 269956a_100000693527_100102629194 [0,2,0,0,0,0|2,0,0]=4 772 B11R0.125 C/C=C/CNCC(F)(F)C(=O)O 269956a_100000734215_100102629194 [0,2,0,0,0,0|2,0,0]=4 773 B11R0.125 C/C=C/CSCC(C)(C)C(=O)N 62a_100102629194_200009895572 [0,2,0,0,0,0|2,0,0]=4 774 B11R0.125 C/C=C/CSCC(C)(C)C(=O)N 62a_200009895572_100102629194 [0,2,0,0,0,0|2,0,0]=4 775 B11R0.125 C=CCCNCC(C)(C)C(=O)O 269956a_100000693527_100000754431 [0,2,0,0,0,0|2,0,0]=4 776 B11R0.125 C=CCCNCC(F)(F)C(=O)O 269956a_100000734215_100000754431 [0,2,0,0,0,0|2,0,0]=4 777 B11R0.125 C=CCCSCC(C)(C)C(=O)N 62a_100000754431_200009895572 [0,2,0,0,0,0|2,0,0]=4 778 B11R0.125 C=CCCSCC(C)(C)C(=O)N 62a_200009895572_100000754431 [0,2,0,0,0,0|2,0,0]=4 779 B11R0.125 CC=CCSCC(C)(C)C(=O)N 62a_100000070051_200009895572 [0,2,0,0,0,0|2,0,0]=4 780 B11R0.125 CC=CCSCC(C)(C)C(=O)N 62a_200009895572_100000070051 [0,2,0,0,0,0|2,0,0]=4 781 B11R0.201 C=CC(C)NCC(C)(C)C(=O)O 269956a_100000693527_100011215867 [0,2,0,0,0,0|2,0,0]=4 782 B11R0.201 C=CC(C)NCC(F)(F)C(=O)O 269956a_100000734215_100011215867 [0,2,0,0,0,0|2,0,0]=4 783 B11R0.201 C=CC(C)SCC(C)(C)C(=O)N 62a_100011215867_200009895572 [0,2,0,0,0,0|2,0,0]=4 784 B11R0.202 C=C(C)CNCC(C)(C)C(=O)O 269956a_100000693527_100000748629 [0,2,0,0,0,0|2,0,0]=4 785 B11R0.202 C=C(C)CNCC(F)(F)C(=O)O 269956a_100000734215_100000748629 [0,2,0,0,0,0|2,0,0]=4 786 B11R0.202 C=C(C)CSCC(C)(C)C(=O)N 62a_100000748629_200009895572 [0,2,0,0,0,0|2,0,0]=4 787 B11R0.202 C=C(C)CSCC(C)(C)C(=O)N 62a_200009895572_100000211660 [0,2,0,0,0,0|2,0,0]=4 788 B11R0.202 C=C(F)CNCC(C)(C)C(=O)O 269956a_100000693527_100000042424 [0,2,0,0,0,0|2,0,0]=4 789 B11R0.202 C=C(F)CNCC(F)(F)C(=O)O 269956a_100000734215_100000042424 [0,2,0,0,0,0|2,0,0]=4 790 B11R0.202 C=C(F)CSCC(C)(C)C(=O)N 62a_100000042424_200009895572 [0,2,0,0,0,0|2,0,0]=4 791 B11R0.202 C=C(F)CSCC(C)(C)C(=O)N 62a_200009895572_100000042424 [0,2,0,0,0,0|2,0,0]=4 792 B11R0.326 C=CCOCC(C)(C)C(=O)OC 34a_100000709632_100015514636 [0,2,0,0,0,0|1,1,0]=4 793 B11R0.326 C=CCOCC(C)(C)C(=O)OC 7a_100000709632_100015514636 [0,2,0,0,0,0|1,1,0]=4 794 B11R0.326 C=CCOCC(F)(F)C(=O)OC 34a_200000210373_100010295740 [0,2,0,0,0,0|1,1,0]=4 795 B11R0.326 C=CCSCC(C)(C)C(=O)NC 62a_100000210623_100000702813 [0,2,0,0,0,0|2,0,0]=4 796 B11R0.326 C=CCSCC(C)(C)C(=O)NC 62a_100000702813_100000210623 [0,2,0,0,0,0|2,0,0]=4 797 B11R0.326 C=CCSCC(C)(C)C(=O)OC 62a_100000210623_100000684552 [0,2,0,0,0,0|1,0,0]=3 798 B11R0.326 C=CCSCC(C)(C)C(=O)OC 62a_100000684552_100000210623 [0,2,0,0,0,0|1,0,0]=3 799 B11R0.326 C=CCSCC(F)(F)C(=O)OC 62a_100000210623_100010295740 [0,2,0,0,0,0|1,0,0]=3 800 B11R0.326 C=CCSCC(F)(F)C(=O)OC 62a_100010295740_100000210623 [0,2,0,0,0,0|1,0,0]=3 801 B11R0.326 COC(=O)C(C)(C)CSCC=O 62a_100000684552_200015260668 [0,2,0,0,0,0|2,0,0]=4 802 B11R0.326 COC(=O)C(C)(C)CSCC=O 62a_200015260668_100000684552 [0,2,0,0,0,0|2,0,0]=4 803 B11R0.326 COC(=O)C(F)(F)CSCC=O 62a_100010295740_200015260668 [0,2,0,0,0,0|2,0,0]=4 804 B11R0.326 COC(=O)C(F)(F)CSCC=O 62a_200015260668_100010295740 [0,2,0,0,0,0|2,0,0]=4 805 B11R0.29 C=C(C)CCNCC(C)C(=O)O 269956a_100000749485_100000730704 [0,2,0,0,0,0|2,0,0]=4 806 B11R0.29 C=C(C)CCNCC(F)C(=O)O 269956a_100000084737_100000730704 [0,2,0,0,0,0|2,0,0]=4 807 B11R0.29 C=C(C)CCOC[C@H](N)C(=O)N 34a_100000729942_100000730704 [0,2,0,0,0,0|1,1,0]=4 808 B11R0.29 CC(=CCNCC(C)C(=O)O)C 269956a_100000749485_100000761012 [0,2,0,0,0,0|2,0,0]=4 809 B11R0.29 CC(=CCNCC(F)C(=O)O)C 269956a_100000084737_100000761012 [0,2,0,0,0,0|2,0,0]=4 810 B11R0.29 CC(=CCOC[C@H](N)C(=O)N)C 34a_100000729942_100000761012 [0,2,0,0,0,0|1,1,0]=4 811 B11R0.42 C=CCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100011215482 [0,2,0,0,0,0|2,0,0]=4 812 B11R0.42 C=CCCCNCC(C)C(=O)O 269956a_100000749485_100011713584 [0,2,0,0,0,0|2,0,0]=4 813 B11R0.42 C=CCCCNCC(F)C(=O)O 269956a_100000084737_100011713584 [0,2,0,0,0,0|2,0,0]=4 814 B11R0.42 C=CCCCOC[C@H](N)C(=O)N 34a_100000729942_100000757094 [0,2,0,0,0,0|1,1,0]=4 815 B11R0.42 C=COCCNCC(C)C(=O)O 269956a_100000749485_100000039644 [0,2,0,0,0,0|2,0,0]=4 816 B11R0.42 C=COCCNCC(F)C(=O)O 269956a_100000084737_100000039644 [0,2,0,0,0,0|2,0,0]=4 817 B11R0.42 C=COCCOC[C@H](N)C(=O)N 34a_100000729942_100000039644 [0,2,0,0,0,0|1,1,0]=4 818 B11R0.42 CC/C=C\CNCC(C)C(=O)O 269956a_100000749485_100103147603 [0,2,0,0,0,0|2,0,0]=4 819 B11R0.42 CC/C=C\CNCC(F)C(=O)O 269956a_100000084737_100103147603 [0,2,0,0,0,0|2,0,0]=4 820 B11R0.42 CC/C=C\COC[C@H](N)C(=O)N 34a_100000729942_100103147603 [0,2,0,0,0,0|1,1,0]=4 821 B11R0.76 C=CCCCNC(CO)C(=O)O 269956a_100000187304_100011713584 [0,2,0,0,0,0|2,0,0]=4 822 B11R0.76 C=CCCCN[C@@H](C=C)C(=O)O 269956a_100016992060_100011713584 [0,2,0,0,0,0|2,0,0]=4 823 B11R0.76 C=CCCCN[C@H](CC)C(=O)O 269956a_100000747097_100011713584 [0,2,0,0,0,0|2,0,0]=4 824 B11R0.109 C=C(C#N)CNCC(C)C(=O)O 269956a_100000749485_100000694840 [0,2,0,0,0,0|2,0,0]=4 825 B11R0.109 C=C(C#N)CNCC(F)C(=O)O 269956a_100000084737_100000694840 [0,2,0,0,0,0|2,0,0]=4 826 B11R0.109 C=C(C#N)COC[C@H](N)C(=O)N 34a_100000729942_100000694840 [0,2,0,0,0,0|1,1,0]=4 827 B11R0.109 C=CC(O)CNCC(C)C(=O)O 269956a_100000749485_100000730141 [0,2,0,0,0,0|2,0,0]=4 828 B11R0.109 C=CC(O)CNCC(F)C(=O)O 269956a_100000084737_100000730141 [0,2,0,0,0,0|2,0,0]=4 829 B11R0.109 C=CC(O)COC[C@H](N)C(=O)N 34a_100000729942_100000730141 [0,2,0,0,0,0|1,1,0]=4 830 B11R0.142 C/C=C/COCC(C)C(=O)OC 34a_100000749362_100102629194 [0,2,0,0,0,0|1,1,0]=4 831 B11R0.142 C/C=C/COCC(C)C(=O)OC 34a_100016270725_100000698445 [0,2,0,0,0,0|1,1,0]=4 832 B11R0.142 C/C=C/COCC(C)C(=O)OC 7a_100000749362_100102629194 [0,2,0,0,0,0|1,1,0]=4 833 B11R0.142 C/C=C/COCC(F)C(=O)OC 34a_200009849844_100102629194 [0,2,0,0,0,0|1,1,0]=4 834 B11R0.142 C/C=C/COCC(N)C(=O)NN 34a_100016989258_100102629194 [0,2,0,0,0,0|1,1,0]=4 835 B11R0.142 C/C=C/COC[C@@H](N)C(=O)OC 34a_100000003586_100102629194 [0,2,0,0,0,0|0,1,0]=3 836 B11R0.142 C/C=C/CSCC(=O)C(=O)OC 62a_100011610305_100102629194 [0,2,0,0,0,0|1,0,1]=4 837 B11R0.142 C/C=C/CSCC(=O)C(=O)OC 62a_100102629194_100011610305 [0,2,0,0,0,0|1,0,1]=4 838 B11R0.142 C/C=C/CSCC(C)C(=O)OC 62a_100000698445_100102629194 [0,2,0,0,0,0|1,0,0]=3 839 B11R0.142 C/C=C/CSCC(C)C(=O)OC 62a_100102629194_100000698445 [0,2,0,0,0,0|1,0,0]=3 840 B11R0.142 C=C(CSC/C=C/C)C(=O)OC 62a_100009813391_100102629194 [0,2,0,0,0,0|1,0,1]=4 841 B11R0.142 C=C(CSC/C=C/C)C(=O)OC 62a_100102629194_100009813391 [0,2,0,0,0,0|1,0,1]=4 842 B11R0.142 C=C(CSCC=CC)C(=O)OC 62a_100000070051_100009813391 [0,2,0,0,0,0|1,0,1]=4 843 B11R0.142 C=C(CSCC=CC)C(=O)OC 62a_100009813391_100000070051 [0,2,0,0,0,0|1,0,1]=4 844 B11R0.142 C=CCCCNC(C)C(=O)OC 2230a_100000700776_100000211248 [0,2,0,0,0,0|2,0,0]=4 845 B11R0.142 C=CCCCNC(C)C(=O)OC 34a_100000700776_100000211248 [0,2,0,0,0,0|2,0,0]=4 846 B11R0.142 C=CCCCOC(C)C(=O)OC 34a_100000758997_100000211248 [0,2,0,0,0,0|2,0,0]=4 847 B11R0.142 C=CCCCOC(C)C(=O)OC 34a_100011215400_100000757094 [0,2,0,0,0,0|2,0,0]=4 848 B11R0.142 C=CCCCOC(C)C(=O)OC 7a_100000758997_100000211248 [0,2,0,0,0,0|2,0,0]=4 849 B11R0.142 C=CCCCSC(C)C(=O)OC 62a_100000211248_100000757094 [0,2,0,0,0,0|2,0,0]=4 850 B11R0.142 C=CCCCSC(C)C(=O)OC 62a_100011713584_100000211248 [0,2,0,0,0,0|2,0,0]=4 851 B11R0.142 C=CCCOCC(C)C(=O)OC 34a_100000749362_100000754431 [0,2,0,0,0,0|1,1,0]=4 852 B11R0.142 C=CCCOCC(C)C(=O)OC 34a_100011205117_100000698445 [0,2,0,0,0,0|1,1,0]=4 853 B11R0.142 C=CCCOCC(C)C(=O)OC 7a_100000749362_100000754431 [0,2,0,0,0,0|1,1,0]=4 854 B11R0.142 C=CCCOCC(F)C(=O)OC 34a_200009849844_100000754431 [0,2,0,0,0,0|1,1,0]=4 855 B11R0.142 C=CCCOCC(N)C(=O)NN 34a_100016989258_100000754431 [0,2,0,0,0,0|1,1,0]=4 856 B11R0.142 C=CCCOC[C@@H](N)C(=O)OC 34a_100000003586_100000754431 [0,2,0,0,0,0|0,1,0]=3 857 B11R0.142 C=CCCSCC(=C)C(=O)OC 62a_100000754431_100009813391 [0,2,0,0,0,0|1,0,1]=4 858 B11R0.142 C=CCCSCC(=C)C(=O)OC 62a_100009813391_100000754431 [0,2,0,0,0,0|1,0,1]=4 859 B11R0.142 C=CCCSCC(=O)C(=O)OC 62a_100000754431_100011610305 [0,2,0,0,0,0|1,0,1]=4 860 B11R0.142 C=CCCSCC(=O)C(=O)OC 62a_100011610305_100000754431 [0,2,0,0,0,0|1,0,1]=4 861 B11R0.142 C=CCCSCC(C)C(=O)OC 62a_100000698445_100000754431 [0,2,0,0,0,0|1,0,0]=3 862 B11R0.142 C=CCCSCC(C)C(=O)OC 62a_100000754431_100000698445 [0,2,0,0,0,0|1,0,0]=3 863 B11R0.142 C=CCNCCC(C)C(=O)OC 2230a_100020586998_100000034942 [0,2,0,0,0,0|2,0,0]=4 864 B11R0.142 C=CCOCCC(C)C(=O)OC 34a_200000210373_100000034942 [0,2,0,0,0,0|1,1,0]=4 865 B11R0.142 C=CCSCCC(C)C(=O)OC 62a_100000034942_100000210623 [0,2,0,0,0,0|1,0,0]=3 866 B11R0.142 C=CCSCCC(C)C(=O)OC 62a_100000210623_100000034942 [0,2,0,0,0,0|1,0,0]=3 867 B11R0.142 CC=CCOCC(C)C(=O)OC 34a_100000749362_100000070051 [0,2,0,0,0,0|1,1,0]=4 868 B11R0.142 CC=CCOCC(C)C(=O)OC 7a_100000749362_100000070051 [0,2,0,0,0,0|1,1,0]=4 869 B11R0.142 CC=CCOCC(F)C(=O)OC 34a_200009849844_100000070051 [0,2,0,0,0,0|1,1,0]=4 870 B11R0.142 CC=CCOCC(N)C(=O)NN 34a_100016989258_100000070051 [0,2,0,0,0,0|1,1,0]=4 871 B11R0.142 CC=CCOC[C@@H](N)C(=O)OC 34a_100000003586_100000070051 [0,2,0,0,0,0|0,1,0]=3 872 B11R0.142 CC=CCSCC(=O)C(=O)OC 62a_100000070051_100011610305 [0,2,0,0,0,0|1,0,1]=4 873 B11R0.142 CC=CCSCC(=O)C(=O)OC 62a_100011610305_100000070051 [0,2,0,0,0,0|1,0,1]=4 874 B11R0.142 CC=CCSCC(C)C(=O)OC 62a_100000070051_100000698445 [0,2,0,0,0,0|1,0,0]=3 875 B11R0.142 CC=CCSCC(C)C(=O)OC 62a_100000698445_100000070051 [0,2,0,0,0,0|1,0,0]=3 876 B11R0.142 COC(=O)C(C)CCSCC=O 62a_100000034942_200015260668 [0,2,0,0,0,0|2,0,0]=4 877 B11R0.142 COC(=O)C(C)CCSCC=O 62a_200015260668_100000034942 [0,2,0,0,0,0|2,0,0]=4 878 B11R0.73 C=CCO[C@H](C)[C@H](N)C(=O)NC 34a_100102634413_100015514636 [0,2,0,0,0,0|1,1,0]=4 879 B11R0.73 C=CCO[C@H](C)[C@H](N)C(=O)OC 34a_100000004424_100015514636 [0,2,0,0,0,0|0,1,0]=3 880 B11R0.73 C=CCSC(C)C(=O)C(=O)OC 62a_100000210623_100000692041 [0,2,0,0,0,0|1,0,1]=4 881 B11R0.73 C=CCSC(C)C(=O)C(=O)OC 62a_100000692041_100000210623 [0,2,0,0,0,0|1,0,1]=4 882 B11R0.73 COC(=O)[C@@H](N)[C@@H](C)OCC=O 34a_100000004424_200009817547 [0,2,0,0,0,0|1,1,0]=4 883 B11R0.173 C=C(C)CO[C@H](C)[C@H](N)C(=O)N 34a_100000003557_100000748629 [0,2,0,0,0,0|1,1,0]=4 884 B11R0.173 C=C(F)CO[C@H](C)[C@H](N)C(=O)N 34a_100000003557_100009893438 [0,2,0,0,0,0|1,1,0]=4 885 B11R0.120 C=CC(C)OCC(C)C(=O)OC 34a_100000695699_100000698445 [0,2,0,0,0,0|1,1,0]=4 886 B11R0.120 C=CC(C)SCC(=C)C(=O)OC 62a_100011215867_100009813391 [0,2,0,0,0,0|1,0,1]=4 887 B11R0.120 C=CC(C)SCC(=O)C(=O)OC 62a_100011215867_100011610305 [0,2,0,0,0,0|1,0,1]=4 888 B11R0.120 C=CC(C)SCC(C)C(=O)OC 62a_100011215867_100000698445 [0,2,0,0,0,0|1,0,0]=3 889 B11R0.302 C=CC(F)(F)NCC(C)C(=O)O 269956a_100000749485_100009814244 [0,2,0,0,0,0|2,0,0]=4 890 B11R0.302 C=CC(F)(F)NCC(F)C(=O)O 269956a_100000084737_100009814244 [0,2,0,0,0,0|2,0,0]=4 891 B11R0.75 C=CCCOC(CN)C(=O)OC 34a_100000695228_100000754431 [0,2,0,0,0,0|2,0,0]=4 892 B11R0.145 C=C(C)COCC(C)C(=O)OC 34a_100000210245_100000698445 [0,2,0,0,0,0|1,1,0]=4 893 B11R0.145 C=C(C)COCC(C)C(=O)OC 34a_100000749362_100000748629 [0,2,0,0,0,0|1,1,0]=4 894 B11R0.145 C=C(C)COCC(C)C(=O)OC 7a_100000749362_100000748629 [0,2,0,0,0,0|1,1,0]=4 895 B11R0.145 C=C(C)COCC(F)C(=O)OC 34a_200009849844_100000748629 [0,2,0,0,0,0|1,1,0]=4 896 B11R0.145 C=C(C)COCC(N)C(=O)NN 34a_100016989258_100000748629 [0,2,0,0,0,0|1,1,0]=4 897 B11R0.145 C=C(C)COC[C@@H](N)C(=O)OC 34a_100000003586_100000748629 [0,2,0,0,0,0|0,1,0]=3 898 B11R0.145 C=C(C)CSCC(=C)C(=O)OC 62a_100000748629_100009813391 [0,2,0,0,0,0|1,0,1]=4 899 B11R0.145 C=C(C)CSCC(=C)C(=O)OC 62a_100009813391_100000211660 [0,2,0,0,0,0|1,0,1]=4 900 B11R0.145 C=C(C)CSCC(=O)C(=O)OC 62a_100000748629_100011610305 [0,2,0,0,0,0|1,0,1]=4 901 B11R0.145 C=C(C)CSCC(=O)C(=O)OC 62a_100011610305_100000211660 [0,2,0,0,0,0|1,0,1]=4 902 B11R0.145 C=C(C)CSCC(C)C(=O)OC 62a_100000698445_100000211660 [0,2,0,0,0,0|1,0,0]=3 903 B11R0.145 C=C(C)CSCC(C)C(=O)OC 62a_100000748629_100000698445 [0,2,0,0,0,0|1,0,0]=3 904 B11R0.145 C=C(F)COCC(C)C(=O)OC 34a_100000749362_100009893438 [0,2,0,0,0,0|1,1,0]=4 905 B11R0.145 C=C(F)COCC(C)C(=O)OC 34a_200010262243_100000698445 [0,2,0,0,0,0|1,1,0]=4 906 B11R0.145 C=C(F)COCC(C)C(=O)OC 7a_100000749362_100000042424 [0,2,0,0,0,0|1,1,0]=4 907 B11R0.145 C=C(F)COCC(F)C(=O)OC 34a_200009849844_100009893438 [0,2,0,0,0,0|1,1,0]=4 908 B11R0.145 C=C(F)COCC(N)C(=O)NN 34a_100016989258_100009893438 [0,2,0,0,0,0|1,1,0]=4 909 B11R0.145 C=C(F)COC[C@@H](N)C(=O)OC 34a_100000003586_100009893438 [0,2,0,0,0,0|0,1,0]=3 910 B11R0.145 C=C(F)CSCC(=C)C(=O)OC 62a_100000042424_100009813391 [0,2,0,0,0,0|1,0,1]=4 911 B11R0.145 C=C(F)CSCC(=C)C(=O)OC 62a_100009813391_100000042424 [0,2,0,0,0,0|1,0,1]=4 912 B11R0.145 C=C(F)CSCC(=O)C(=O)OC 62a_100000042424_100011610305 [0,2,0,0,0,0|1,0,1]=4 913 B11R0.145 C=C(F)CSCC(=O)C(=O)OC 62a_100011610305_100000042424 [0,2,0,0,0,0|1,0,1]=4 914 B11R0.145 C=C(F)CSCC(C)C(=O)OC 62a_100000042424_100000698445 [0,2,0,0,0,0|1,0,0]=3 915 B11R0.145 C=C(F)CSCC(C)C(=O)OC 62a_100000698445_100000042424 [0,2,0,0,0,0|1,0,0]=3 916 B11R0.145 COC(=O)C(C)CSCC(=O)N 62a_100000698445_100000747473 [0,2,0,0,0,0|2,0,0]=4 917 B11R0.145 COC(=O)C(C)CSCC(=O)N 62a_100000747473_100000698445 [0,2,0,0,0,0|2,0,0]=4 918 B11R0.145 COC(=O)C(C)CSCC(=O)[O-] 62a_100000698445_100020667443 [0,2,0,0,0,0|2,0,0]=4 919 B11R0.145 COC(=O)C(C)CSCC(=O)[O-] 62a_100020667443_100000698445 [0,2,0,0,0,0|2,0,0]=4 920 B11R0.145 COC(=O)[C@H](N)COCC(=O)N 34a_100000003586_100000187820 [0,2,0,0,0,0|1,1,0]=4 921 B11R0.145 COC(=O)[C@H](N)COCC(=O)[O-] 34a_100000003586_100020667443 [0,2,0,0,0,0|1,1,0]=4 922 B11R0.155 C=CCSCC(=C)C(=O)OCC 62a_100000210623_100000755967 [0,2,0,0,0,0|1,0,1]=4 923 B11R0.155 C=CCSCC(=C)C(=O)OCC 62a_100000755967_100000210623 [0,2,0,0,0,0|1,0,1]=4 924 B11R0.155 C=CCSCC(=O)C(=O)OCC 62a_100000210623_100000211299 [0,2,0,0,0,0|1,0,1]=4 925 B11R0.155 C=CCSCC(=O)C(=O)OCC 62a_100000211299_100000210623 [0,2,0,0,0,0|1,0,1]=4 926 B9R1.17 C=CCSCC1COC1 62a_100000210623_100010264016 [1,0,0,1,0,0|1,0,1]=4 927 B9R1.17 C=CCSCC1COC1 62a_100010264016_100000210623 [1,0,0,1,0,0|1,0,1]=4 928 B9R1.99 C=CCSCC1(CO1)C 62a_100000210623_100000760498 [1,0,0,1,0,0|1,0,1]=4 929 B9R1.99 C=CCSCC1(CO1)C 62a_100000760498_100000210623 [1,0,0,1,0,0|1,0,1]=4 930 B9R1.6 CC(=O)C1C=CCCC1 1458a_100000070787_100000751183 [1,0,0,1,0,0|2,0,0]=4 931 B9R1.9 C=CCSC1CC(=O)C1 62a_100009894365_100000210623 [1,0,0,1,0,0|1,0,0]=3 932 B9R1.9 O=CCSC1CC(=O)C1 62a_100009894365_200015260668 [1,0,0,1,0,0|2,0,0]=4 933 B9R1.13 CC(=O)CC1C=CCC1 1458a_100000212241_200000210301 [1,0,0,1,0,0|2,0,0]=4 934 B9R1.13 [13CH3]C(=O)CC1C=CCC1 1458a_100000212241_200025704644 [1,0,0,1,0,0|2,0,0]=4 935 B9R1.41 CN1CSC[C@H]1C(=O)O 269956a_100000743924_200000210301 [1,0,0,1,0,0|1,0,1]=4 936 B9R1.41 [13CH3]N1CSC[C@H]1C(=O)O 269956a_100000743924_200025704644 [1,0,0,1,0,0|1,0,1]=4 937 B9R1.83 C=CCSCCC1CO1 62a_100000210623_100000732470 [1,0,0,1,0,0|1,0,1]=4 938 B9R1.83 C=CCSCCC1CO1 62a_100000732470_100000210623 [1,0,0,1,0,0|1,0,1]=4 939 B9R1.35 CC(=O)C1CCC(=O)N1 1458a_100000210400_200000210301 [1,0,0,1,0,0|2,0,0]=4 940 B9R1.35 CC(=O)[C@@H]1CSC(=O)N1 1458a_100000735014_200000210301 [1,0,0,1,0,0|2,0,0]=4 941 B9R1.35 [13CH3]C(=O)C1CCC(=O)N1 1458a_100000210400_200025704644 [1,0,0,1,0,0|2,0,0]=4 942 B9R1.35 [13CH3]C(=O)[C@@H]1CSC(=O)N1 1458a_100000735014_200025704644 [1,0,0,1,0,0|2,0,0]=4 943 B11R1.27 C=CCNC[C@H]1COC(=O)N1 2230a_100020586998_100015307671 [0,0,0,1,0,1|2,0,0]=4 944 B11R1.27 C=CCOCC1COC(=O)O1 34a_200000210373_100000073702 [0,0,0,1,0,1|1,1,0]=4 945 B11R1.27 C=CCOC[C@H]1COC(=O)N1 34a_200000210373_100015307671 [0,0,0,1,0,1|1,1,0]=4 946 B11R1.27 C=CCSCC1=CC(=O)OC1 62a_100000210623_100000716558 [0,0,0,1,0,1|1,0,1]=4 947 B11R1.27 C=CCSCC1=CC(=O)OC1 62a_100000716558_100000210623 [0,0,0,1,0,1|1,0,1]=4 948 B11R1.27 C=CCSCC1CNC(=O)O1 62a_100000181169_100000210623 [0,0,0,1,0,1|2,0,0]=4 949 B11R1.27 C=CCSCC1CNC(=O)O1 62a_100000210623_100000181169 [0,0,0,1,0,1|2,0,0]=4 950 B11R1.27 C=CCSCC1COC(=O)O1 62a_100000073702_100000210623 [0,0,0,1,0,1|1,0,0]=3 951 B11R1.27 C=CCSCC1COC(=O)O1 62a_100000210623_100000073702 [0,0,0,1,0,1|1,0,0]=3 952 B11R1.27 C=CCSC[C@@H]1CCC(=O)N1 62a_100000210623_100015189358 [0,0,0,1,0,1|2,0,0]=4 953 B11R1.27 C=CCSC[C@@H]1CCC(=O)N1 62a_100015189358_100000210623 [0,0,0,1,0,1|2,0,0]=4 954 B11R1.27 C=CCSC[C@H]1COC(=O)N1 62a_100000210623_100015307671 [0,0,0,1,0,1|1,0,0]=3 955 B11R1.27 C=CCSC[C@H]1COC(=O)N1 62a_100015307671_100000210623 [0,0,0,1,0,1|1,0,0]=3 956 B11R1.27 O=CCSCC1COC(=O)O1 62a_100000073702_200015260668 [0,0,0,1,0,1|2,0,0]=4 957 B11R1.27 O=CCSCC1COC(=O)O1 62a_200015260668_100000073702 [0,0,0,1,0,1|2,0,0]=4 958 B11R1.27 O=CCSC[C@H]1COC(=O)N1 62a_100015307671_200015260668 [0,0,0,1,0,1|2,0,0]=4 959 B11R1.27 O=CCSC[C@H]1COC(=O)N1 62a_200015260668_100015307671 [0,0,0,1,0,1|2,0,0]=4 960 B11R1.120 C=CCN1CC(C1)CC(=O)O 269956a_100016993960_100000210623 [0,0,0,1,0,1|2,0,0]=4 961 B11R1.991 C=CCNCC1(CC1)C(=O)O 269956a_100000703410_100000210623 [0,1,0,1,0,0|2,0,0]=4 962 B11R1.190 C=CCSCCC1CCC1=O 62a_100000210623_200016118888 [0,1,0,1,0,0|2,0,0]=4 963 B11R1.190 C=CCSCCC1CCC1=O 62a_200016118888_100000210623 [0,1,0,1,0,0|2,0,0]=4 964 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]=4 965 B11R1.231 C=CCSC1C=C(C(=O)O1)C 62a_100000210623_200009893386 [0,1,0,1,0,0|1,0,1]=4 966 B11R1.231 C=CCSC1C=C(C(=O)O1)C 62a_200009893386_100000210623 [0,1,0,1,0,0|1,0,1]=4 967 B11R1.23 CCC(=O)C1CSCC(=O)N1 1458a_100000045068_100000210202 [0,1,0,1,0,0|2,0,0]=4 968 B11R1.23 CNC(=O)C1CSCC(=O)N1 240690a_100102657272_100000045068 [0,1,0,1,0,0|2,0,0]=4 969 B11R1.23 CNC(=O)C1CSCC(=O)N1 527a_100102657272_100000045068 [0,1,0,1,0,0|2,0,0]=4 970 B11R1.23 O=C1CSCC(N1)C(=O)CF 1458a_100000045068_100015361967 [0,1,0,1,0,0|2,0,0]=4 971 B11R1.121 C=CCN1CC(C1)C(=O)OC 269982a_100015188540_100000210623 [0,1,0,1,0,0|2,0,0]=4 972 B11R1.298 CNC(C(=O)O)c1cccs1 269956a_100000684786_200000210301 [0,1,0,1,0,0|0,0,2]=4 973 B11R1.298 [13CH3]NC(C(=O)O)c1cccs1 269956a_100000684786_200025704644 [0,1,0,1,0,0|0,0,2]=4 974 B11R1.473 CCC1SCC(N1C)C(=O)O 269956a_200025741920_200000210301 [0,1,0,1,0,0|0,0,2]=4 975 B11R1.473 CCC1SCC(N1[13CH3])C(=O)O 269956a_200025741920_200025704644 [0,1,0,1,0,0|0,0,2]=4 976 B11R0.46 C=CCSCC(C)CSC(=O)C 62a_100000210623_200000116872 [0,0,0,0,0,2|2,0,0]=4 977 B11R0.46 C=CCSCC(C)CSC(=O)C 62a_200000116872_100000210623 [0,0,0,0,0,2|2,0,0]=4 978 B11R0.46 C=CCSCC(O)COC(=O)C 62a_100000210623_200000139349 [0,0,0,0,0,2|2,0,0]=4 979 B11R0.46 C=CCSCC(O)COC(=O)C 62a_200000139349_100000210623 [0,0,0,0,0,2|2,0,0]=4