0 B10R0.98 C=C(C)CNCC(C)C(=O)O 269956a_100000749485_100000748629 [0,0,0,0,0,0|4,0,0]=4 1 B10R0.98 C=C(C)CNCC(F)C(=O)O 269956a_100000084737_100000748629 [0,0,0,0,0,0|4,0,0]=4 2 B10R0.98 C=C(C)COC[C@H](N)C(=O)N 34a_100000729942_100000748629 [0,0,0,0,0,0|3,1,0]=4 3 B10R0.98 C=C(F)CNCC(C)C(=O)O 269956a_100000749485_100000042424 [0,0,0,0,0,0|4,0,0]=4 4 B10R0.98 C=C(F)CNCC(F)C(=O)O 269956a_100000084737_100000042424 [0,0,0,0,0,0|4,0,0]=4 5 B10R0.98 C=C(F)COC[C@H](N)C(=O)N 34a_100000729942_100009893438 [0,0,0,0,0,0|3,1,0]=4 6 B10R0.98 CC(=O)C(=O)CSCC(=O)N 62a_100000747473_100011261029 [0,0,0,0,0,0|2,0,1]=3 7 B10R0.98 CC(=O)C(=O)CSCC(=O)N 62a_100011261029_100000747473 [0,0,0,0,0,0|2,0,1]=3 8 B10R0.98 CC(=O)C(=O)CSCC(=O)[O-] 62a_100011261029_100020667443 [0,0,0,0,0,0|3,0,1]=4 9 B10R0.98 CC(=O)C(=O)CSCC(=O)[O-] 62a_100020667443_100011261029 [0,0,0,0,0,0|3,0,1]=4 10 B10R0.98 CC(=O)C(C)COCC(=O)N 34a_100000032740_100000187820 [0,0,0,0,0,0|2,1,0]=3 11 B10R0.98 CC(=O)C(C)COCC(=O)N 7a_100000032740_100000187820 [0,0,0,0,0,0|2,1,0]=3 12 B10R0.98 CC(=O)C(C)COCC(=O)[O-] 34a_100000032740_100020667443 [0,0,0,0,0,0|3,1,0]=4 13 B10R0.98 CC(=O)C(C)OCCC(=O)N 34a_100000212229_100000731001 [0,0,0,0,0,0|4,0,0]=4 14 B10R0.98 CC(=O)C(C)OCCC(=O)N 7a_100000757172_100000179758 [0,0,0,0,0,0|4,0,0]=4 15 B10R0.98 CC(=O)C(C)SCCC(=O)N 62a_100000744528_100009814033 [0,0,0,0,0,0|4,0,0]=4 16 B10R0.98 CC(=O)C(C)SCCC(=O)N 62a_100009814033_100000744528 [0,0,0,0,0,0|4,0,0]=4 17 B10R0.98 CC(=O)CCN[C@@H](C)C(=O)O 269956a_100000743915_100000053229 [0,0,0,0,0,0|4,0,0]=4 18 B10R0.98 CC(C)[C@@H](N)COCC(=O)N 34a_100011830312_100000187820 [0,0,0,0,0,0|2,1,1]=4 19 B10R0.98 CC(CNCC(=O)N)C(=O)O 269956a_100000749485_100000187820 [0,0,0,0,0,0|2,0,0]=2 20 B10R0.98 CC(CNCC(=O)[O-])C(=O)O 269956a_100000749485_100020667443 [0,0,0,0,0,0|3,0,0]=3 21 B10R0.98 CC(CNC[N+](=O)[O-])C(=O)O 269956a_100000749485_100000761209 [0,0,0,0,0,0|4,0,0]=4 22 B10R0.98 CC(COCC(=O)N)[N+](=O)[O-] 34a_100000039676_100000187820 [0,0,0,0,0,0|2,1,1]=4 23 B10R0.98 CC(COCC(=O)N)[N+](=O)[O-] 7a_100000039676_100000187820 [0,0,0,0,0,0|2,1,1]=4 24 B10R0.98 CC(OCCC(=O)N)C(=O)N 34a_100000757172_100000702099 [0,0,0,0,0,0|4,0,0]=4 25 B10R0.98 CC(OCCC(=O)N)C(=O)N 7a_100000757172_100000702099 [0,0,0,0,0,0|4,0,0]=4 26 B10R0.98 CC(SCCC(=O)N)C(=O)N 62a_100000702099_100000744528 [0,0,0,0,0,0|4,0,0]=4 27 B10R0.98 CC(SCCC(=O)N)C(=O)N 62a_100000744528_100000702099 [0,0,0,0,0,0|4,0,0]=4 28 B10R0.98 C[C@@H](NCCC(=O)N)C(=O)N 2230a_100000119354_100000744528 [0,0,0,0,0,0|4,0,0]=4 29 B10R0.98 C[C@@H](NCCC(=O)N)C(=O)N 34a_100000119354_100000731001 [0,0,0,0,0,0|4,0,0]=4 30 B10R0.98 C[C@@H](OCCC(=O)N)C(=O)N 34a_100000731257_100000731001 [0,0,0,0,0,0|4,0,0]=4 31 B10R0.98 C[C@@H](OCCC(=O)N)C(=O)N 7a_100000731257_100000744528 [0,0,0,0,0,0|4,0,0]=4 32 B10R0.98 C[C@H](NCCC(=O)N)C(=O)O 269956a_100000743915_100000744528 [0,0,0,0,0,0|3,0,0]=3 33 B10R0.98 C[C@H](OCCC(=O)N)C(=O)[O-] 7a_217856618621_100000744528 [0,0,0,0,0,0|3,0,1]=4 34 B10R0.98 NC(=O)CCOC(F)C(=O)N 34a_100000757172_100009813875 [0,0,0,0,0,0|4,0,0]=4 35 B10R0.98 NC(=O)CCOC(F)C(=O)N 7a_100000757172_100009813875 [0,0,0,0,0,0|4,0,0]=4 36 B10R0.98 NC(=O)CCOC(F)C(=O)[O-] 34a_100000757172_100020610796 [0,0,0,0,0,0|3,0,1]=4 37 B10R0.98 NC(=O)CCSC(F)C(=O)N 62a_100000744528_100009813875 [0,0,0,0,0,0|4,0,0]=4 38 B10R0.98 NC(=O)CCSC(F)C(=O)N 62a_100009813875_100000744528 [0,0,0,0,0,0|4,0,0]=4 39 B10R0.98 NC(=O)CCSC(F)C(=O)[O-] 62a_100000744528_100020610796 [0,0,0,0,0,0|3,0,1]=4 40 B10R0.98 NC(=O)CCSC(F)C(=O)[O-] 62a_100020610796_100000744528 [0,0,0,0,0,0|3,0,1]=4 41 B10R0.98 NC(=O)CNCC(F)C(=O)O 269956a_100000084737_100000187820 [0,0,0,0,0,0|2,0,0]=2 42 B10R0.98 NC(=O)COC[C@H](N)C(=O)N 34a_100000729942_100000187820 [0,0,0,0,0,0|1,1,0]=2 43 B10R0.98 NC(=O)[C@@H](N)COCC(=O)[O-] 34a_100000729942_100020667443 [0,0,0,0,0,0|2,1,0]=3 44 B10R0.98 NC(=O)[C@@H](N)COC[N+](=O)[O-] 34a_100000729942_100000761209 [0,0,0,0,0,0|3,1,0]=4 45 B10R0.98 O=C(O)C(F)CNC[N+](=O)[O-] 269956a_100000084737_100000761209 [0,0,0,0,0,0|4,0,0]=4 46 B10R0.98 O=C([O-])CNCC(F)C(=O)O 269956a_100000084737_100020667443 [0,0,0,0,0,0|3,0,0]=3 47 B9R0.1 C=CC(C)COCC(=O)N 34a_100011215527_100000187820 [1,0,0,0,0,0|2,1,0]=4 48 B9R0.1 C=CC(C)COCC(=O)N 7a_100011215527_100000187820 [1,0,0,0,0,0|2,1,0]=4 49 B9R0.1 C=CC(O)CNCC(=O)N 2230a_100000711301_100000730141 [1,0,0,0,0,0|3,0,0]=4 50 B9R0.1 C=CC(O)CSCC(=O)N 62a_100000730141_100000747473 [1,0,0,0,0,0|2,0,0]=3 51 B9R0.1 C=CC(O)CSCC(=O)N 62a_100000747473_100000730141 [1,0,0,0,0,0|2,0,0]=3 52 B9R0.1 C=CC(O)CSCC(=O)[O-] 62a_100000730141_100020667443 [1,0,0,0,0,0|3,0,0]=4 53 B9R0.1 C=CC(O)CSCC(=O)[O-] 62a_100020667443_100000730141 [1,0,0,0,0,0|3,0,0]=4 54 B9R0.1 C=C[C@H](N)COCC(=O)N 34a_100016989147_100000187820 [1,0,0,0,0,0|1,1,0]=3 55 B9R0.1 C=C[C@H](N)COCC(=O)[O-] 34a_100016989147_100020667443 [1,0,0,0,0,0|2,1,0]=4 56 B9R0.1 CC(CO)CNCC(=O)N 34a_100000744482_100000187820 [1,0,0,0,0,0|2,0,1]=4 57 B9R0.1 CCC(C)CSCC(=O)N 62a_100000747473_100000748023 [1,0,0,0,0,0|2,0,1]=4 58 B9R0.1 CCC(C)CSCC(=O)N 62a_100000748023_100000747473 [1,0,0,0,0,0|2,0,1]=4 59 B9R0.1 CCC(O)CSCC(=O)N 62a_100000747473_100011218378 [1,0,0,0,0,0|2,0,1]=4 60 B9R0.1 CCC(O)CSCC(=O)N 62a_100011218378_100000747473 [1,0,0,0,0,0|2,0,1]=4 61 B9R0.1 CC[C@H](C)CSCC(=O)N 62a_100000747473_100009816398 [1,0,0,0,0,0|2,0,1]=4 62 B9R0.1 CC[C@H](C)CSCC(=O)N 62a_100009816398_100000747473 [1,0,0,0,0,0|2,0,1]=4 63 B9R0.1 C[C@@H](CO)CNCC(=O)N 2230a_100000711301_100000059175 [1,0,0,0,0,0|2,0,1]=4 64 B9R0.1 C[C@@H](CO)CSCC(=O)N 62a_100000059175_100000747473 [1,0,0,0,0,0|1,0,1]=3 65 B9R0.1 C[C@@H](CO)CSCC(=O)N 62a_100000747473_100000059175 [1,0,0,0,0,0|1,0,1]=3 66 B9R0.1 C[C@@H](CO)CSCC(=O)[O-] 62a_100000059175_100020667443 [1,0,0,0,0,0|2,0,1]=4 67 B9R0.1 C[C@@H](CO)CSCC(=O)[O-] 62a_100020667443_100000059175 [1,0,0,0,0,0|2,0,1]=4 68 B9R0.1 NC(=O)CNCC(O)CO 2230a_100000711301_100011219619 [1,0,0,0,0,0|2,0,1]=4 69 B9R0.1 NC(=O)CNC[C@@H](F)CO 34a_100015665980_100000187820 [1,0,0,0,0,0|2,0,1]=4 70 B9R0.1 NC(=O)CNC[C@@H](O)CO 2230a_100000711301_100009815848 [1,0,0,0,0,0|2,0,1]=4 71 B9R0.1 NC(=O)CNC[C@H](O)CO 2230a_100020644852_100000747473 [1,0,0,0,0,0|2,0,1]=4 72 B9R0.1 NC(=O)CSCC(O)CO 62a_100000747473_100011219619 [1,0,0,0,0,0|1,0,1]=3 73 B9R0.1 NC(=O)CSCC(O)CO 62a_100011219619_100000747473 [1,0,0,0,0,0|1,0,1]=3 74 B9R0.1 NC(=O)CSC[C@@H](O)CF 62a_100000747473_100015614560 [1,0,0,0,0,0|2,0,1]=4 75 B9R0.1 NC(=O)CSC[C@@H](O)CF 62a_100015614560_100000747473 [1,0,0,0,0,0|2,0,1]=4 76 B9R0.1 NC(=O)CSC[C@@H](O)CO 62a_100000747473_100009815848 [1,0,0,0,0,0|1,0,1]=3 77 B9R0.1 NC(=O)CSC[C@@H](O)CO 62a_100009815848_100000747473 [1,0,0,0,0,0|1,0,1]=3 78 B9R0.1 O=C([O-])CSCC(O)CO 62a_100011219619_100020667443 [1,0,0,0,0,0|2,0,1]=4 79 B9R0.1 O=C([O-])CSCC(O)CO 62a_100020667443_100011219619 [1,0,0,0,0,0|2,0,1]=4 80 B9R0.1 O=C([O-])CSC[C@@H](O)CO 62a_100009815848_100020667443 [1,0,0,0,0,0|2,0,1]=4 81 B9R0.1 O=C([O-])CSC[C@@H](O)CO 62a_100020667443_100009815848 [1,0,0,0,0,0|2,0,1]=4 82 B9R0.47 C=CCNCC(C)C(=O)O 269956a_100000749485_100000210623 [1,0,0,0,0,0|3,0,0]=4 83 B9R0.47 C=CCNCC(F)C(=O)O 269956a_100000084737_100000210623 [1,0,0,0,0,0|3,0,0]=4 84 B9R0.47 C=CCOC[C@H](N)C(=O)N 34a_100000729942_100015514636 [1,0,0,0,0,0|2,1,0]=4 85 B9R0.47 CC(=O)C(=O)CSCC=O 62a_100011261029_200015260668 [1,0,0,0,0,0|2,0,1]=4 86 B9R0.47 CC(=O)C(=O)CSCC=O 62a_200015260668_100011261029 [1,0,0,0,0,0|2,0,1]=4 87 B9R0.47 CC(=O)C(C)COCC=O 34a_100000032740_200009817547 [1,0,0,0,0,0|2,1,0]=4 88 B9R0.47 CC(=O)C(C)COCC=O 7a_100000032740_200015260668 [1,0,0,0,0,0|2,1,0]=4 89 B9R0.47 CC(CNCC=O)C(=O)O 269956a_100000749485_200015260668 [1,0,0,0,0,0|2,0,0]=3 90 B9R0.47 NC(=O)[C@@H](N)COCC=O 34a_100000729942_200009817547 [1,0,0,0,0,0|1,1,0]=3 91 B9R0.47 O=CCNCC(F)C(=O)O 269956a_100000084737_200015260668 [1,0,0,0,0,0|2,0,0]=3 92 B9R0.55 C=C(Br)CCOCC(=O)N 34a_100009813270_100000187820 [1,0,0,0,0,0|2,1,0]=4 93 B9R0.55 C=C(C)CCNCC(=O)N 2230a_100000711301_100000730704 [1,0,0,0,0,0|3,0,0]=4 94 B9R0.55 C=C(C)CCOCC(=O)N 34a_100000764851_100000187820 [1,0,0,0,0,0|2,1,0]=4 95 B9R0.55 C=C(C)CCSCC(=O)N 62a_100000730704_100000747473 [1,0,0,0,0,0|2,0,0]=3 96 B9R0.55 C=C(C)CCSCC(=O)N 62a_100000747473_100000730704 [1,0,0,0,0,0|2,0,0]=3 97 B9R0.55 C=C(C)CCSCC(=O)[O-] 62a_100000730704_100020667443 [1,0,0,0,0,0|3,0,0]=4 98 B9R0.55 C=C(C)CCSCC(=O)[O-] 62a_100020667443_100000730704 [1,0,0,0,0,0|3,0,0]=4 99 B9R0.55 C=C(C)CSCCC(=O)C 62a_100000053229_100000211660 [1,0,0,0,0,0|3,0,0]=4 100 B9R0.55 C=C(C)CSCCC(=O)C 62a_100000748629_100000053229 [1,0,0,0,0,0|3,0,0]=4 101 B9R0.55 C=C(C)CSCCC(=O)N 62a_100000744528_100000211660 [1,0,0,0,0,0|3,0,0]=4 102 B9R0.55 C=C(C)CSCCC(=O)N 62a_100000748629_100000744528 [1,0,0,0,0,0|3,0,0]=4 103 B9R0.55 C=C(F)CSCCC(=O)C 62a_100000042424_100000053229 [1,0,0,0,0,0|3,0,0]=4 104 B9R0.55 C=C(F)CSCCC(=O)C 62a_100000053229_100000042424 [1,0,0,0,0,0|3,0,0]=4 105 B9R0.55 C=C(F)CSCCC(=O)N 62a_100000042424_100000744528 [1,0,0,0,0,0|3,0,0]=4 106 B9R0.55 C=C(F)CSCCC(=O)N 62a_100000744528_100000042424 [1,0,0,0,0,0|3,0,0]=4 107 B9R0.55 CC(=CCSCC(=O)N)C 62a_100000747473_100000761012 [1,0,0,0,0,0|2,0,1]=4 108 B9R0.55 CC(=CCSCC(=O)N)C 62a_100000761012_100000747473 [1,0,0,0,0,0|2,0,1]=4 109 B9R0.55 CC(=O)CCCCC(=O)C 1458a_100000070787_100000735457 [1,0,0,0,0,0|3,0,0]=4 110 B9R0.55 CC(=O)CCNCC(=O)O 269956a_100016091260_100000053229 [1,0,0,0,0,0|3,0,0]=4 111 B9R0.55 CC(=O)CCOCC(=O)N 1458a_100000070787_100000076697 [1,0,0,0,0,0|1,1,0]=3 112 B9R0.55 CC(=O)CCOCC(=O)N 34a_100000759926_100000187820 [1,0,0,0,0,0|1,1,0]=3 113 B9R0.55 CC(=O)CCOCC(=O)N 7a_100000759926_100000187820 [1,0,0,0,0,0|1,1,0]=3 114 B9R0.55 CC(=O)CCOCC(=O)[O-] 34a_100000759926_100020667443 [1,0,0,0,0,0|2,1,0]=4 115 B9R0.55 CC(=O)CCSCC(=O)N 1458a_100000148550_200000210301 [1,0,0,0,0,0|1,0,0]=2 116 B9R0.55 CC(=O)CCSCC(=O)N 62a_100000053229_100000747473 [1,0,0,0,0,0|1,0,0]=2 117 B9R0.55 CC(=O)CCSCC(=O)N 62a_100000747473_100000053229 [1,0,0,0,0,0|1,0,0]=2 118 B9R0.55 CC(=O)CCSCC(=O)[O-] 62a_100000053229_100020667443 [1,0,0,0,0,0|2,0,0]=3 119 B9R0.55 CC(=O)CCSCC(=O)[O-] 62a_100020667443_100000053229 [1,0,0,0,0,0|2,0,0]=3 120 B9R0.55 CC(=O)CCSC[N+](=O)[O-] 62a_100000053229_100000761209 [1,0,0,0,0,0|3,0,0]=4 121 B9R0.55 CC(=O)COCCC(=O)N 34a_100000211253_100000731001 [1,0,0,0,0,0|2,1,0]=4 122 B9R0.55 CC(=O)NCCCC(=O)N 240690a_100000739312_100015343762 [1,0,0,0,0,0|3,0,0]=4 123 B9R0.55 CC(=O)NCCCC(=O)N 527a_100000739312_100103153847 [1,0,0,0,0,0|3,0,0]=4 124 B9R0.55 CC(=O)OCSCC(=O)N 62a_100000076356_100000747473 [1,0,0,0,0,0|2,0,0]=3 125 B9R0.55 CC(=O)OCSCC(=O)N 62a_100000747473_100000076356 [1,0,0,0,0,0|2,0,0]=3 126 B9R0.55 CC(=O)OCSCC(=O)[O-] 62a_100000076356_100020667443 [1,0,0,0,0,0|3,0,0]=4 127 B9R0.55 CC(=O)OCSCC(=O)[O-] 62a_100020667443_100000076356 [1,0,0,0,0,0|3,0,0]=4 128 B9R0.55 CC(C)CCSCC(=O)N 62a_100000210312_100000747473 [1,0,0,0,0,0|2,0,1]=4 129 B9R0.55 CC(C)CCSCC(=O)N 62a_100000747473_100000210312 [1,0,0,0,0,0|2,0,1]=4 130 B9R0.55 CC(O)CCNCC(=O)N 2230a_100000711301_100012276601 [1,0,0,0,0,0|2,0,1]=4 131 B9R0.55 CC(O)CCNCC(=O)N 2230a_200000755665_100000747473 [1,0,0,0,0,0|2,0,1]=4 132 B9R0.55 CC(O)CCSCC(=O)N 62a_100000747473_100012276601 [1,0,0,0,0,0|1,0,1]=3 133 B9R0.55 CC(O)CCSCC(=O)N 62a_100012276601_100000747473 [1,0,0,0,0,0|1,0,1]=3 134 B9R0.55 CC(O)CCSCC(=O)[O-] 62a_100012276601_100020667443 [1,0,0,0,0,0|2,0,1]=4 135 B9R0.55 CC(O)CCSCC(=O)[O-] 62a_100020667443_100012276601 [1,0,0,0,0,0|2,0,1]=4 136 B9R0.55 CN(C)CCSCC(=O)N 62a_100000747473_100000755713 [1,0,0,0,0,0|3,0,0]=4 137 B9R0.55 NC(=O)CCNCC(=O)N 2230a_100000711301_100000744528 [1,0,0,0,0,0|2,0,0]=3 138 B9R0.55 NC(=O)CCNCC(=O)O 269956a_100016091260_100000744528 [1,0,0,0,0,0|2,0,0]=3 139 B9R0.55 NC(=O)CCOCC(=O)N 34a_100000757172_100000187820 [1,0,0,0,0,0|1,1,0]=3 140 B9R0.55 NC(=O)CCOCC(=O)N 7a_100000757172_100000187820 [1,0,0,0,0,0|1,1,0]=3 141 B9R0.55 NC(=O)CCOCC(=O)[O-] 34a_100000757172_100020667443 [1,0,0,0,0,0|2,0,1]=4 142 B9R0.55 NC(=O)CCSCC(=O)N 62a_100000744528_100000747473 [1,0,0,0,0,0|1,0,0]=2 143 B9R0.55 NC(=O)CCSCC(=O)N 62a_100000747473_100000744528 [1,0,0,0,0,0|1,0,0]=2 144 B9R0.55 NC(=O)CCSCC(=O)[O-] 62a_100000744528_100020667443 [1,0,0,0,0,0|2,0,0]=3 145 B9R0.55 NC(=O)CCSCC(=O)[O-] 62a_100020667443_100000744528 [1,0,0,0,0,0|2,0,0]=3 146 B9R0.55 NC(=O)CCSC[N+](=O)[O-] 62a_100000744528_100000761209 [1,0,0,0,0,0|3,0,0]=4 147 B9R0.55 NC(=O)CNOCC(=O)O 269956a_100000106656_100000187820 [1,0,0,0,0,0|2,0,0]=3 148 B9R0.55 O=C([O-])CNOCC(=O)O 269956a_100000106656_100020667443 [1,0,0,0,0,0|3,0,0]=4 149 B9R0.55 [13CH3]C(=O)CCSCC(=O)N 1458a_100000148550_200025704644 [1,0,0,0,0,0|1,0,0]=2 150 B11R0.84 NC(=O)CSCC(O)S(=O)(=O)[O-] 62a_100000747473_200000035551 [0,1,0,0,0,0|2,0,1]=4 151 B11R0.84 NC(=O)CSCC(O)S(=O)(=O)[O-] 62a_200000035551_100000747473 [0,1,0,0,0,0|2,0,1]=4 152 B11R0.109 CCC(=O)CNCC(C)C(=O)O 269956a_100000749485_100000747405 [0,1,0,0,0,0|3,0,0]=4 153 B11R0.109 CCC(=O)CNCC(F)C(=O)O 269956a_100000084737_100000747405 [0,1,0,0,0,0|3,0,0]=4 154 B11R0.109 CNC(=O)CCN[C@@H](C)C(=O)O 269956a_100000743915_100000737683 [0,1,0,0,0,0|3,0,0]=4 155 B11R0.109 CNC(=O)CNCC(C)C(=O)O 269956a_100000749485_100000183359 [0,1,0,0,0,0|2,0,0]=3 156 B11R0.109 CNC(=O)CNCC(F)C(=O)O 269956a_100000084737_100000183359 [0,1,0,0,0,0|2,0,0]=3 157 B11R0.109 CNC(=O)COCC(C)C(=O)C 34a_100000032740_100000183359 [0,1,0,0,0,0|2,1,0]=4 158 B11R0.109 CNC(=O)COCC(C)C(=O)C 7a_100000032740_100000183359 [0,1,0,0,0,0|2,1,0]=4 159 B11R0.109 CNC(=O)COC[C@H](N)C(=O)N 34a_100000729942_100000183359 [0,1,0,0,0,0|1,1,0]=3 160 B11R0.109 CNC(=O)CSCC(=O)C(=O)C 62a_100000183359_100011261029 [0,1,0,0,0,0|2,0,1]=4 161 B11R0.109 CNC(=O)CSCC(=O)C(=O)C 62a_100011261029_100000183359 [0,1,0,0,0,0|2,0,1]=4 162 B11R0.109 COC(=O)CNCC(C)C(=O)O 269956a_100000749485_100000747449 [0,1,0,0,0,0|3,0,0]=4 163 B11R0.109 COC(=O)CNCC(F)C(=O)O 269956a_100000084737_100000747449 [0,1,0,0,0,0|3,0,0]=4 164 B11R0.109 COC(=O)COC[C@H](N)C(=O)N 34a_100000729942_100000747449 [0,1,0,0,0,0|2,1,0]=4 165 B11R0.145 C=C(C)COC[C@@H](N)C(=O)OC 34a_100000003586_100000748629 [0,1,0,0,0,0|2,1,0]=4 166 B11R0.145 C=C(C)CSCC(C)C(=O)OC 62a_100000698445_100000211660 [0,1,0,0,0,0|3,0,0]=4 167 B11R0.145 C=C(C)CSCC(C)C(=O)OC 62a_100000748629_100000698445 [0,1,0,0,0,0|3,0,0]=4 168 B11R0.145 C=C(CSCC(=O)N)C(=O)OC 62a_100000747473_100009813391 [0,1,0,0,0,0|1,0,1]=3 169 B11R0.145 C=C(CSCC(=O)N)C(=O)OC 62a_100009813391_100000747473 [0,1,0,0,0,0|1,0,1]=3 170 B11R0.145 C=C(CSCC(=O)[O-])C(=O)OC 62a_100009813391_100020667443 [0,1,0,0,0,0|2,0,1]=4 171 B11R0.145 C=C(CSCC(=O)[O-])C(=O)OC 62a_100020667443_100009813391 [0,1,0,0,0,0|2,0,1]=4 172 B11R0.145 C=C(F)COC[C@@H](N)C(=O)OC 34a_100000003586_100009893438 [0,1,0,0,0,0|2,1,0]=4 173 B11R0.145 C=C(F)CSCC(C)C(=O)OC 62a_100000042424_100000698445 [0,1,0,0,0,0|3,0,0]=4 174 B11R0.145 C=C(F)CSCC(C)C(=O)OC 62a_100000698445_100000042424 [0,1,0,0,0,0|3,0,0]=4 175 B11R0.145 CNC(=O)C(C)CNCC(=O)N 2230a_100015187722_100000747473 [0,1,0,0,0,0|3,0,0]=4 176 B11R0.145 CNC(=O)C(C)CNCC(=O)N 34a_100015187722_100000187820 [0,1,0,0,0,0|3,0,0]=4 177 B11R0.145 COC(=O)C(=O)CSCC(=O)N 62a_100000747473_100011610305 [0,1,0,0,0,0|1,0,1]=3 178 B11R0.145 COC(=O)C(=O)CSCC(=O)N 62a_100011610305_100000747473 [0,1,0,0,0,0|1,0,1]=3 179 B11R0.145 COC(=O)C(=O)CSCC(=O)[O-] 62a_100011610305_100020667443 [0,1,0,0,0,0|2,0,1]=4 180 B11R0.145 COC(=O)C(=O)CSCC(=O)[O-] 62a_100020667443_100011610305 [0,1,0,0,0,0|2,0,1]=4 181 B11R0.145 COC(=O)C(C)COCC(=O)C 34a_100000211253_100000698445 [0,1,0,0,0,0|2,1,0]=4 182 B11R0.145 COC(=O)C(C)COCC(=O)N 34a_100000749362_100000187820 [0,1,0,0,0,0|1,1,0]=3 183 B11R0.145 COC(=O)C(C)COCC(=O)N 7a_100000749362_100000187820 [0,1,0,0,0,0|1,1,0]=3 184 B11R0.145 COC(=O)C(C)COCC(=O)[O-] 34a_100000749362_100020667443 [0,1,0,0,0,0|2,1,0]=4 185 B11R0.145 COC(=O)C(C)CSCC(=O)N 62a_100000698445_100000747473 [0,1,0,0,0,0|1,0,0]=2 186 B11R0.145 COC(=O)C(C)CSCC(=O)N 62a_100000747473_100000698445 [0,1,0,0,0,0|1,0,0]=2 187 B11R0.145 COC(=O)C(C)CSCC(=O)[O-] 62a_100000698445_100020667443 [0,1,0,0,0,0|2,0,0]=3 188 B11R0.145 COC(=O)C(C)CSCC(=O)[O-] 62a_100020667443_100000698445 [0,1,0,0,0,0|2,0,0]=3 189 B11R0.145 COC(=O)C(C)CSC[N+](=O)[O-] 62a_100000698445_100000761209 [0,1,0,0,0,0|3,0,0]=4 190 B11R0.145 COC(=O)C(C)OCCC(=O)N 34a_100000757172_100000211248 [0,1,0,0,0,0|3,0,0]=4 191 B11R0.145 COC(=O)C(C)OCCC(=O)N 34a_100011215400_100000731001 [0,1,0,0,0,0|3,0,0]=4 192 B11R0.145 COC(=O)C(C)OCCC(=O)N 7a_100000757172_100000211248 [0,1,0,0,0,0|3,0,0]=4 193 B11R0.145 COC(=O)C(C)SCCC(=O)N 62a_100000211248_100000744528 [0,1,0,0,0,0|3,0,0]=4 194 B11R0.145 COC(=O)C(C)SCCC(=O)N 62a_100000744528_100000211248 [0,1,0,0,0,0|3,0,0]=4 195 B11R0.145 COC(=O)C(F)COCC(=O)N 34a_200009849844_100000187820 [0,1,0,0,0,0|1,1,0]=3 196 B11R0.145 COC(=O)C(F)COCC(=O)[O-] 34a_200009849844_100020667443 [0,1,0,0,0,0|2,1,0]=4 197 B11R0.145 COC(=O)[C@H](N)COCC(=O)N 34a_100000003586_100000187820 [0,1,0,0,0,0|0,1,0]=2 198 B11R0.145 COC(=O)[C@H](N)COCC(=O)[O-] 34a_100000003586_100020667443 [0,1,0,0,0,0|1,1,0]=3 199 B11R0.145 COC(=O)[C@H](N)COC[N+](=O)[O-] 34a_100000003586_100000761209 [0,1,0,0,0,0|2,1,0]=4 200 B11R0.145 NNC(=O)C(N)COCC(=O)N 34a_100016989258_100000187820 [0,1,0,0,0,0|1,1,0]=3 201 B11R0.145 NNC(=O)C(N)COCC(=O)[O-] 34a_100016989258_100020667443 [0,1,0,0,0,0|2,1,0]=4 202 B11R0.150 CC(=O)C(=O)CSC(C)C(=O)N 62a_100000702099_100011261029 [0,1,0,0,0,0|2,0,1]=4 203 B11R0.150 CC(=O)C(=O)CSC(C)C(=O)N 62a_100011261029_100000702099 [0,1,0,0,0,0|2,0,1]=4 204 B11R0.150 CC(=O)C(=O)CSC(F)C(=O)N 62a_100009813875_100011261029 [0,1,0,0,0,0|2,0,1]=4 205 B11R0.150 CC(=O)C(=O)CSC(F)C(=O)N 62a_100011261029_100009813875 [0,1,0,0,0,0|2,0,1]=4 206 B11R0.150 CC(=O)C(C)COC(C)C(=O)N 34a_100000032740_100000702099 [0,1,0,0,0,0|2,1,0]=4 207 B11R0.150 CC(=O)C(C)COC(C)C(=O)N 7a_100000032740_100000702099 [0,1,0,0,0,0|2,1,0]=4 208 B11R0.150 CC(=O)C(C)COC(F)C(=O)N 34a_100000032740_100009813875 [0,1,0,0,0,0|2,1,0]=4 209 B11R0.150 CC(=O)C(C)COC(F)C(=O)N 7a_100000032740_100009813875 [0,1,0,0,0,0|2,1,0]=4 210 B11R0.150 CC(=O)C(C)NCC(C)C(=O)O 269956a_100000749485_100009814033 [0,1,0,0,0,0|3,0,0]=4 211 B11R0.150 CC(=O)C(C)NCC(F)C(=O)O 269956a_100000084737_100009814033 [0,1,0,0,0,0|3,0,0]=4 212 B11R0.150 CC(OC[C@H](N)C(=O)N)C(=O)N 34a_100000729942_100000702099 [0,1,0,0,0,0|1,1,0]=3 213 B11R0.150 NC(=O)C(F)OC[C@H](N)C(=O)N 34a_100000729942_100009813875 [0,1,0,0,0,0|1,1,0]=3 214 B11R0.150 NC(=O)[C@@H](N)COC(F)C(=O)[O-] 34a_100000729942_100020610796 [0,1,0,0,0,0|2,1,0]=4 215 B11R0.173 CC(C(=O)O)N(C)CCC(=O)N 269956a_100000749554_100000744528 [0,1,0,0,0,0|3,0,0]=4 216 B11R0.173 C[C@@H](OCC(=O)N)[C@H](N)C(=O)N 34a_100000003557_100000187820 [0,1,0,0,0,0|1,1,0]=3 217 B11R0.173 C[C@@H](OCC(=O)[O-])[C@H](N)C(=O)N 34a_100000003557_100020667443 [0,1,0,0,0,0|2,1,0]=4 218 B11R0.202 CC(C)(CNCC(=O)N)C(=O)N 2230a_100000740840_100000747473 [0,1,0,0,0,0|3,0,0]=4 219 B11R0.202 CC(C)(CNCC(=O)N)C(=O)N 34a_100000740840_100000187820 [0,1,0,0,0,0|3,0,0]=4 220 B11R0.202 CC(C)(CNCC(=O)N)C(=O)O 269956a_100000693527_100000187820 [0,1,0,0,0,0|2,0,0]=3 221 B11R0.202 CC(C)(CNCC(=O)[O-])C(=O)O 269956a_100000693527_100020667443 [0,1,0,0,0,0|3,0,0]=4 222 B11R0.202 CC(C)(CSCC(=O)N)C(=O)N 62a_100000747473_200009895572 [0,1,0,0,0,0|2,0,0]=3 223 B11R0.202 CC(C)(CSCC(=O)N)C(=O)N 62a_200009895572_100000747473 [0,1,0,0,0,0|2,0,0]=3 224 B11R0.202 CC(C)(CSCC(=O)[O-])C(=O)N 62a_100020667443_200009895572 [0,1,0,0,0,0|3,0,0]=4 225 B11R0.202 CC(C)(CSCC(=O)[O-])C(=O)N 62a_200009895572_100020667443 [0,1,0,0,0,0|3,0,0]=4 226 B11R0.202 CC(C)(ONCC(=O)N)C(=O)O 269956a_100016989451_100000187820 [0,1,0,0,0,0|3,0,0]=4 227 B11R0.202 NC(=O)CNCC(F)(F)C(=O)O 269956a_100000734215_100000187820 [0,1,0,0,0,0|2,0,0]=3 228 B11R0.202 O=C([O-])CNCC(F)(F)C(=O)O 269956a_100000734215_100020667443 [0,1,0,0,0,0|3,0,0]=4 229 B11R0.273 C=C[C@H](NCCC(=O)N)C(=O)O 269956a_100016992060_100000744528 [0,1,0,0,0,0|3,0,0]=4 230 B11R0.273 CC[C@@H](NCCC(=O)N)C(=O)O 269956a_100000747097_100000744528 [0,1,0,0,0,0|3,0,0]=4 231 B11R0.273 NC(=O)CCNC(CO)C(=O)O 269956a_100000187304_100000744528 [0,1,0,0,0,0|3,0,0]=4 232 B11R0.318 CC(CNCS(=O)(=O)N)C(=O)O 269956a_100000749485_100000741382 [0,1,0,0,0,0|3,0,0]=4 233 B11R0.318 NS(=O)(=O)CNCC(F)C(=O)O 269956a_100000084737_100000741382 [0,1,0,0,0,0|3,0,0]=4 234 B11R1.743 NC(=O)CN1CC(C1)C(=O)N 34a_100025753142_100000187820 [0,0,0,1,0,0|3,0,0]=4 235 B9R0.7 CC(=O)C(C)NCC(=O)N 2230a_100000711301_100009814033 [0,0,0,0,1,0|3,0,0]=4 236 B9R0.7 CC(=O)C(C)OCC(=O)N 34a_100000212229_100000187820 [0,0,0,0,1,0|2,1,0]=4 237 B9R0.7 CC(=O)C(C)SCC(=O)N 62a_100000747473_100009814033 [0,0,0,0,1,0|2,0,0]=3 238 B9R0.7 CC(=O)C(C)SCC(=O)N 62a_100009814033_100000747473 [0,0,0,0,1,0|2,0,0]=3 239 B9R0.7 CC(=O)C(C)SCC(=O)[O-] 62a_100009814033_100020667443 [0,0,0,0,1,0|3,0,0]=4 240 B9R0.7 CC(=O)C(C)SCC(=O)[O-] 62a_100020667443_100009814033 [0,0,0,0,1,0|3,0,0]=4 241 B9R0.7 CC(=O)N(C)CCC(=O)N 11a_100000730477_100015343762 [0,0,0,0,1,0|3,0,0]=4 242 B9R0.7 CC(=O)N(C)CCC(=O)N 240690a_100000730477_100015343762 [0,0,0,0,1,0|3,0,0]=4 243 B9R0.7 CC(=O)N(C)CCC(=O)N 527a_100000730477_100103153847 [0,0,0,0,1,0|3,0,0]=4 244 B9R0.7 CC(=O)SC[C@@H](C)C(=O)C 1458a_200015407212_200000210301 [0,0,0,0,1,0|3,0,0]=4 245 B9R0.7 CC(=O)SC[C@@H](C)C(=O)[13CH3] 1458a_200015407212_200025704644 [0,0,0,0,1,0|3,0,0]=4 246 B9R0.7 CC(NCC(=O)N)C(=O)N 2230a_100000711301_100000702099 [0,0,0,0,1,0|3,0,0]=4 247 B9R0.7 CC(SCC(=O)N)C(=O)N 62a_100000702099_100000747473 [0,0,0,0,1,0|2,0,0]=3 248 B9R0.7 CC(SCC(=O)N)C(=O)N 62a_100000747473_100000702099 [0,0,0,0,1,0|2,0,0]=3 249 B9R0.7 CC(SCC(=O)[O-])C(=O)N 62a_100000702099_100020667443 [0,0,0,0,1,0|3,0,0]=4 250 B9R0.7 CC(SCC(=O)[O-])C(=O)N 62a_100020667443_100000702099 [0,0,0,0,1,0|3,0,0]=4 251 B9R0.7 C[C@@H](NCC(=O)N)C(=O)N 2230a_100000119354_100000747473 [0,0,0,0,1,0|3,0,0]=4 252 B9R0.7 C[C@@H](NCC(=O)N)C(=O)N 34a_100000119354_100000187820 [0,0,0,0,1,0|3,0,0]=4 253 B9R0.7 C[C@@H](OCC(=O)N)C(=O)N 34a_100000731257_100000187820 [0,0,0,0,1,0|2,1,0]=4 254 B9R0.7 C[C@@H](OCC(=O)N)C(=O)N 7a_100000731257_100000187820 [0,0,0,0,1,0|2,1,0]=4 255 B9R0.7 C[C@H](NCC(=O)N)C(=O)O 269956a_100000743915_100000187820 [0,0,0,0,1,0|2,0,0]=3 256 B9R0.7 C[C@H](NCC(=O)[O-])C(=O)O 269956a_100000743915_100020667443 [0,0,0,0,1,0|3,0,0]=4 257 B9R0.7 C[C@H](OCC(=O)N)C(=O)[O-] 7a_217856618621_100000187820 [0,0,0,0,1,0|1,1,1]=4 258 B9R0.7 NC(=O)C(F)SCC(=O)[O-] 62a_100009813875_100020667443 [0,0,0,0,1,0|3,0,0]=4 259 B9R0.7 NC(=O)C(F)SCC(=O)[O-] 62a_100020667443_100009813875 [0,0,0,0,1,0|3,0,0]=4 260 B9R0.7 NC(=O)CNC(F)C(=O)N 2230a_100000711301_100009813875 [0,0,0,0,1,0|3,0,0]=4 261 B9R0.7 NC(=O)CSC(F)C(=O)N 62a_100000747473_100009813875 [0,0,0,0,1,0|2,0,0]=3 262 B9R0.7 NC(=O)CSC(F)C(=O)N 62a_100009813875_100000747473 [0,0,0,0,1,0|2,0,0]=3 263 B9R0.7 NC(=O)CSC(F)C(=O)[O-] 62a_100000747473_100020610796 [0,0,0,0,1,0|1,0,1]=3 264 B9R0.7 NC(=O)CSC(F)C(=O)[O-] 62a_100020610796_100000747473 [0,0,0,0,1,0|1,0,1]=3 265 B9R0.7 O=C([O-])CSC(F)C(=O)[O-] 62a_100020610796_100020667443 [0,0,0,0,1,0|2,0,1]=4 266 B9R0.7 O=C([O-])CSC(F)C(=O)[O-] 62a_100020667443_100020610796 [0,0,0,0,1,0|2,0,1]=4 267 B11R0.6 CC(=O)NC(=O)CSCC(=O)N 62a_100000747473_100000183797 [0,0,0,0,0,1|2,0,1]=4 268 B11R0.6 CN(CCCC(=O)N)CC(=O)O 269956a_100000746989_100102525003 [0,0,0,0,0,1|3,0,0]=4 269 B11R0.6 NC(=O)CNCC(O)CC(=O)O 269956a_100011218706_100000187820 [0,0,0,0,0,1|2,0,0]=3 270 B11R0.6 NC(=O)CSCC(=O)NC(=O)N 62a_100000747473_100000182717 [0,0,0,0,0,1|2,0,1]=4 271 B11R0.6 O=C([O-])CNCC(O)CC(=O)O 269956a_100011218706_100020667443 [0,0,0,0,0,1|3,0,0]=4 272 B11R0.29 CC(=O)C(=O)CSCCC(=O)N 62a_100000744528_100011261029 [0,0,0,0,0,1|2,0,1]=4 273 B11R0.29 CC(=O)C(=O)CSCCC(=O)N 62a_100011261029_100000744528 [0,0,0,0,0,1|2,0,1]=4 274 B11R0.29 CC(=O)C(C)COCCC(=O)N 34a_100000032740_100000731001 [0,0,0,0,0,1|2,1,0]=4 275 B11R0.29 CC(=O)C(C)COCCC(=O)N 7a_100000032740_100000744528 [0,0,0,0,0,1|2,1,0]=4 276 B11R0.29 CC(=O)C(C)OCCCC(=O)N 34a_100000212229_100102525003 [0,0,0,0,0,1|3,0,0]=4 277 B11R0.29 CC(=O)C(C)SCCCC(=O)N 62a_100009814033_100102525003 [0,0,0,0,0,1|3,0,0]=4 278 B11R0.29 CC(=O)C(C)SCCCC(=O)N 62a_100102525003_100009814033 [0,0,0,0,0,1|3,0,0]=4 279 B11R0.29 CC(=O)CCCN[C@@H](C)C(=O)O 269956a_100000743915_100011215641 [0,0,0,0,0,1|3,0,0]=4 280 B11R0.29 CC(=O)CCNCC(C)C(=O)O 269956a_100000749485_100000053229 [0,0,0,0,0,1|3,0,0]=4 281 B11R0.29 CC(=O)CCNCC(F)C(=O)O 269956a_100000084737_100000053229 [0,0,0,0,0,1|3,0,0]=4 282 B11R0.29 CC(=O)OCNCC(C)C(=O)O 269956a_100000749485_100000076356 [0,0,0,0,0,1|3,0,0]=4 283 B11R0.29 CC(=O)OCNCC(F)C(=O)O 269956a_100000084737_100000076356 [0,0,0,0,0,1|3,0,0]=4 284 B11R0.29 CC(=O)OCOC[C@H](N)C(=O)N 34a_100000729942_100009813279 [0,0,0,0,0,1|2,1,0]=4 285 B11R0.29 CC(CNCCC(=O)N)C(=O)O 269956a_100000749485_100000744528 [0,0,0,0,0,1|2,0,0]=3 286 B11R0.29 CC(NCCCC(=O)N)C(=O)N 34a_100000739312_100000702099 [0,0,0,0,0,1|3,0,0]=4 287 B11R0.29 CC(SCCCC(=O)N)C(=O)N 62a_100000702099_100102525003 [0,0,0,0,0,1|3,0,0]=4 288 B11R0.29 CC(SCCCC(=O)N)C(=O)N 62a_100102525003_100000702099 [0,0,0,0,0,1|3,0,0]=4 289 B11R0.29 C[C@@H](NCCCC(=O)N)C(=O)N 34a_100000119354_100102525003 [0,0,0,0,0,1|3,0,0]=4 290 B11R0.29 C[C@@H](OCCCC(=O)N)C(=O)N 34a_100000731257_100102525003 [0,0,0,0,0,1|3,0,0]=4 291 B11R0.29 C[C@@H](OCCCC(=O)N)C(=O)N 7a_100000731257_100102525003 [0,0,0,0,0,1|3,0,0]=4 292 B11R0.29 C[C@H](NCCCC(=O)N)C(=O)O 269956a_100000743915_100102525003 [0,0,0,0,0,1|2,0,0]=3 293 B11R0.29 C[C@H](NCCNC(=O)N)C(=O)O 269956a_100000743915_200000034859 [0,0,0,0,0,1|3,0,0]=4 294 B11R0.29 C[C@H](OCCCC(=O)N)C(=O)[O-] 7a_217856618621_100102525003 [0,0,0,0,0,1|2,0,1]=4 295 B11R0.29 NC(=O)CCCNC(F)C(=O)N 34a_100000739312_100009813875 [0,0,0,0,0,1|3,0,0]=4 296 B11R0.29 NC(=O)CCCNC(F)C(=O)[O-] 34a_100000739312_100020610796 [0,0,0,0,0,1|2,0,1]=4 297 B11R0.29 NC(=O)CCCSC(F)C(=O)N 62a_100009813875_100102525003 [0,0,0,0,0,1|3,0,0]=4 298 B11R0.29 NC(=O)CCCSC(F)C(=O)N 62a_100102525003_100009813875 [0,0,0,0,0,1|3,0,0]=4 299 B11R0.29 NC(=O)CCCSC(F)C(=O)[O-] 62a_100020610796_100102525003 [0,0,0,0,0,1|2,0,1]=4 300 B11R0.29 NC(=O)CCCSC(F)C(=O)[O-] 62a_100102525003_100020610796 [0,0,0,0,0,1|2,0,1]=4 301 B11R0.29 NC(=O)CCNCC(F)C(=O)O 269956a_100000084737_100000744528 [0,0,0,0,0,1|2,0,0]=3 302 B11R0.29 NC(=O)CCOC[C@H](N)C(=O)N 34a_100000729942_100000731001 [0,0,0,0,0,1|1,1,0]=3 303 B8R0.6 C=CC(O)CSCC=O 62a_100000730141_200015260668 [2,0,0,0,0,0|2,0,0]=4 304 B8R0.6 C=CC(O)CSCC=O 62a_200015260668_100000730141 [2,0,0,0,0,0|2,0,0]=4 305 B8R0.6 C=C[C@H](N)COCC=O 34a_100016989147_200009817547 [2,0,0,0,0,0|1,1,0]=4 306 B8R0.6 C[C@@H](CO)CSCC=O 62a_100000059175_200015260668 [2,0,0,0,0,0|1,0,1]=4 307 B8R0.6 C[C@@H](CO)CSCC=O 62a_200015260668_100000059175 [2,0,0,0,0,0|1,0,1]=4 308 B8R0.6 O=CCSCC(O)CO 62a_100011219619_200015260668 [2,0,0,0,0,0|1,0,1]=4 309 B8R0.6 O=CCSCC(O)CO 62a_200015260668_100011219619 [2,0,0,0,0,0|1,0,1]=4 310 B8R0.6 O=CCSC[C@@H](O)CO 62a_100009815848_200015260668 [2,0,0,0,0,0|1,0,1]=4 311 B8R0.6 O=CCSC[C@@H](O)CO 62a_200015260668_100009815848 [2,0,0,0,0,0|1,0,1]=4 312 B8R0.7 C#CCCSCC(=O)N 62a_100000688953_100000747473 [2,0,0,0,0,0|1,0,1]=4 313 B8R0.7 C#CCCSCC(=O)N 62a_100000747473_100000688953 [2,0,0,0,0,0|1,0,1]=4 314 B8R0.7 C/C=C/CSCC(=O)N 62a_100000747473_100102629194 [2,0,0,0,0,0|1,0,1]=4 315 B8R0.7 C/C=C/CSCC(=O)N 62a_100102629194_100000747473 [2,0,0,0,0,0|1,0,1]=4 316 B8R0.7 C=C(C)CCSCC=O 62a_100000730704_200015260668 [2,0,0,0,0,0|2,0,0]=4 317 B8R0.7 C=C(C)CCSCC=O 62a_200015260668_100000730704 [2,0,0,0,0,0|2,0,0]=4 318 B8R0.7 C=CCCNCC(=O)N 2230a_100000711301_100000754431 [2,0,0,0,0,0|2,0,0]=4 319 B8R0.7 C=CCCNCC(=O)N 2230a_100015191253_100000747473 [2,0,0,0,0,0|2,0,0]=4 320 B8R0.7 C=CCCOCC(=O)N 34a_100011205117_100000187820 [2,0,0,0,0,0|1,1,0]=4 321 B8R0.7 C=CCCSCC(=O)N 62a_100000747473_100000754431 [2,0,0,0,0,0|1,0,0]=3 322 B8R0.7 C=CCCSCC(=O)N 62a_100000754431_100000747473 [2,0,0,0,0,0|1,0,0]=3 323 B8R0.7 C=CCCSCC(=O)[O-] 62a_100000754431_100020667443 [2,0,0,0,0,0|2,0,0]=4 324 B8R0.7 C=CCCSCC(=O)[O-] 62a_100020667443_100000754431 [2,0,0,0,0,0|2,0,0]=4 325 B8R0.7 C=CCSCCC(=O)C 62a_100000053229_100000210623 [2,0,0,0,0,0|2,0,0]=4 326 B8R0.7 C=CCSCCC(=O)C 62a_100000210623_100000053229 [2,0,0,0,0,0|2,0,0]=4 327 B8R0.7 C=CCSCCC(=O)N 62a_100000210623_100000744528 [2,0,0,0,0,0|2,0,0]=4 328 B8R0.7 C=CCSCCC(=O)N 62a_100000744528_100000210623 [2,0,0,0,0,0|2,0,0]=4 329 B8R0.7 CC(=O)CCOCC=O 34a_100000759926_200009817547 [2,0,0,0,0,0|1,1,0]=4 330 B8R0.7 CC(=O)CCOCC=O 7a_100000759926_200015260668 [2,0,0,0,0,0|1,1,0]=4 331 B8R0.7 CC(=O)CCSCC=O 62a_100000053229_200015260668 [2,0,0,0,0,0|1,0,0]=3 332 B8R0.7 CC(=O)CCSCC=O 62a_200015260668_100000053229 [2,0,0,0,0,0|1,0,0]=3 333 B8R0.7 CC(=O)OCSCC=O 62a_100000076356_200015260668 [2,0,0,0,0,0|2,0,0]=4 334 B8R0.7 CC(=O)OCSCC=O 62a_200015260668_100000076356 [2,0,0,0,0,0|2,0,0]=4 335 B8R0.7 CC(O)CCSCC=O 62a_100012276601_200015260668 [2,0,0,0,0,0|1,0,1]=4 336 B8R0.7 CC(O)CCSCC=O 62a_200015260668_100012276601 [2,0,0,0,0,0|1,0,1]=4 337 B8R0.7 CC=CCSCC(=O)N 62a_100000070051_100000747473 [2,0,0,0,0,0|1,0,1]=4 338 B8R0.7 CC=CCSCC(=O)N 62a_100000747473_100000070051 [2,0,0,0,0,0|1,0,1]=4 339 B8R0.7 CCCCSCC(=O)N 62a_100000210211_100000747473 [2,0,0,0,0,0|1,0,1]=4 340 B8R0.7 CCCCSCC(=O)N 62a_100000747473_100000210210 [2,0,0,0,0,0|1,0,1]=4 341 B8R0.7 COCCSCC(=O)N 62a_100000233755_100000747473 [2,0,0,0,0,0|2,0,0]=4 342 B8R0.7 COCCSCC(=O)N 62a_100000747473_100000233755 [2,0,0,0,0,0|2,0,0]=4 343 B8R0.7 CSCCSCC(=O)N 62a_100000212216_100000747473 [2,0,0,0,0,0|2,0,0]=4 344 B8R0.7 CSCCSCC(=O)N 62a_100000747473_100000751147 [2,0,0,0,0,0|2,0,0]=4 345 B8R0.7 N#CCCSCC(=O)N 62a_100000747473_100011215226 [2,0,0,0,0,0|1,0,1]=4 346 B8R0.7 N#CCCSCC(=O)N 62a_100011215226_100000747473 [2,0,0,0,0,0|1,0,1]=4 347 B8R0.7 NC(=O)CCOCC=O 34a_100000757172_200009817547 [2,0,0,0,0,0|1,1,0]=4 348 B8R0.7 NC(=O)CCOCC=O 7a_100000757172_200015260668 [2,0,0,0,0,0|1,1,0]=4 349 B8R0.7 NC(=O)CCSCC=O 62a_100000744528_200015260668 [2,0,0,0,0,0|1,0,0]=3 350 B8R0.7 NC(=O)CCSCC=O 62a_200015260668_100000744528 [2,0,0,0,0,0|1,0,0]=3 351 B8R0.7 NC(=O)CNCCCO 2230a_100000711301_100000230001 [2,0,0,0,0,0|1,0,1]=4 352 B8R0.7 NC(=O)CSCCCF 62a_100000747473_100011934791 [2,0,0,0,0,0|1,0,1]=4 353 B8R0.7 NC(=O)CSCCCF 62a_100011934791_100000747473 [2,0,0,0,0,0|1,0,1]=4 354 B8R0.7 NC(=O)CSCCCO 62a_100000747473_100011215043 [2,0,0,0,0,0|0,0,1]=3 355 B8R0.7 NC(=O)CSCCCO 62a_100011215043_100000747473 [2,0,0,0,0,0|0,0,1]=3 356 B8R0.7 O=C([O-])CSCCCO 62a_100011215043_100020667443 [2,0,0,0,0,0|1,0,1]=4 357 B8R0.7 O=C([O-])CSCCCO 62a_100020667443_100011215043 [2,0,0,0,0,0|1,0,1]=4 358 B8R0.7 O=CCNOCC(=O)O 269956a_100000106656_200015260668 [2,0,0,0,0,0|2,0,0]=4 359 B8R0.28 C=C(C)CSCC(=O)N 62a_100000747473_100000211660 [2,0,0,0,0,0|1,0,1]=4 360 B8R0.28 C=C(C)CSCC(=O)N 62a_100000748629_100000747473 [2,0,0,0,0,0|1,0,1]=4 361 B8R0.28 C=C(F)CSCC(=O)N 62a_100000042424_100000747473 [2,0,0,0,0,0|1,0,1]=4 362 B8R0.28 C=C(F)CSCC(=O)N 62a_100000747473_100000042424 [2,0,0,0,0,0|1,0,1]=4 363 B8R0.28 CC(C)CSCC(=O)N 62a_100000210624_100000747473 [2,0,0,0,0,0|1,0,1]=4 364 B8R0.28 CC(C)CSCC(=O)N 62a_100000747473_100000210760 [2,0,0,0,0,0|1,0,1]=4 365 B8R0.28 CC(O)CNCC(=O)N 2230a_100000210904_100000747473 [2,0,0,0,0,0|2,0,0]=4 366 B8R0.28 CC(O)CNCC(=O)N 2230a_100000711301_100011218427 [2,0,0,0,0,0|2,0,0]=4 367 B8R0.28 CC(O)CNCC(=O)N 34a_100000210904_100000187820 [2,0,0,0,0,0|2,0,0]=4 368 B8R0.28 CC(O)CSCC(=O)N 62a_100000747473_100011218427 [2,0,0,0,0,0|1,0,0]=3 369 B8R0.28 CC(O)CSCC(=O)N 62a_100011218427_100000747473 [2,0,0,0,0,0|1,0,0]=3 370 B8R0.28 CC(O)CSCC(=O)[O-] 62a_100011218427_100020667443 [2,0,0,0,0,0|2,0,0]=4 371 B8R0.28 CC(O)CSCC(=O)[O-] 62a_100020667443_100011218427 [2,0,0,0,0,0|2,0,0]=4 372 B8R0.28 C[C@@H](N)COCC(=O)N 34a_100000737577_100000187820 [2,0,0,0,0,0|0,1,1]=4 373 B8R0.28 C[C@@H](O)CNCC(=O)N 2230a_100000711301_100009817552 [2,0,0,0,0,0|2,0,0]=4 374 B8R0.28 C[C@@H](O)CSCC(=O)N 62a_100000747473_100009817552 [2,0,0,0,0,0|1,0,0]=3 375 B8R0.28 C[C@@H](O)CSCC(=O)N 62a_100009817552_100000747473 [2,0,0,0,0,0|1,0,0]=3 376 B8R0.28 C[C@@H](O)CSCC(=O)[O-] 62a_100009817552_100020667443 [2,0,0,0,0,0|2,0,0]=4 377 B8R0.28 C[C@@H](O)CSCC(=O)[O-] 62a_100020667443_100009817552 [2,0,0,0,0,0|2,0,0]=4 378 B8R0.28 NC(=O)CNCC(=O)N 2230a_100000711301_100000747473 [2,0,0,0,0,0|1,0,1]=4 379 B8R0.28 NC(=O)CSCC(=O)N 62a_100000747473_100000747473 [2,0,0,0,0,0|0,0,1]=3 380 B8R0.28 NC(=O)CSCC(=O)[O-] 62a_100000747473_100020667443 [2,0,0,0,0,0|1,0,1]=4 381 B8R0.28 NC(=O)CSCC(=O)[O-] 62a_100020667443_100000747473 [2,0,0,0,0,0|1,0,1]=4 382 B8R0.28 NC(=O)CSCC(F)F 62a_100000747473_100011934356 [2,0,0,0,0,0|2,0,0]=4 383 B8R0.28 NC(=O)CSCC(F)F 62a_100011934356_100000747473 [2,0,0,0,0,0|2,0,0]=4 384 B8R0.28 NC(=O)CSC[N+](=O)[O-] 62a_100000747473_100000761209 [2,0,0,0,0,0|2,0,0]=4 385 B8R0.8 CC(=O)C(C)SCC=O 62a_100009814033_200015260668 [2,0,0,0,0,0|2,0,0]=4 386 B8R0.8 CC(=O)C(C)SCC=O 62a_200015260668_100009814033 [2,0,0,0,0,0|2,0,0]=4 387 B8R0.8 CC(SCC=O)C(=O)N 62a_100000702099_200015260668 [2,0,0,0,0,0|2,0,0]=4 388 B8R0.8 CC(SCC=O)C(=O)N 62a_200015260668_100000702099 [2,0,0,0,0,0|2,0,0]=4 389 B8R0.8 C[C@H](NCC=O)C(=O)O 269956a_100000743915_200015260668 [2,0,0,0,0,0|2,0,0]=4 390 B8R0.8 NC(=O)C(F)SCC=O 62a_100009813875_200015260668 [2,0,0,0,0,0|2,0,0]=4 391 B8R0.8 NC(=O)C(F)SCC=O 62a_200015260668_100009813875 [2,0,0,0,0,0|2,0,0]=4 392 B8R0.8 O=CCSC(F)C(=O)[O-] 62a_100020610796_200015260668 [2,0,0,0,0,0|1,0,1]=4 393 B8R0.8 O=CCSC(F)C(=O)[O-] 62a_200015260668_100020610796 [2,0,0,0,0,0|1,0,1]=4 394 B10R0.3 C=CC[C@@H](N)COCC(=O)N 34a_100020615467_100000187820 [1,1,0,0,0,0|1,1,0]=4 395 B10R0.3 COCC(N)COCC(=O)N 34a_100000724102_100000187820 [1,1,0,0,0,0|0,1,1]=4 396 B10R0.3 COCC(O)CSCC(=O)N 62a_100000747473_100011215053 [1,1,0,0,0,0|1,0,1]=4 397 B10R0.3 COCC(O)CSCC(=O)N 62a_100011215053_100000747473 [1,1,0,0,0,0|1,0,1]=4 398 B10R0.59 C=CC(O)CSCC(=O)NC 62a_100000183359_100000730141 [1,1,0,0,0,0|2,0,0]=4 399 B10R0.59 C=CC(O)CSCC(=O)NC 62a_100000730141_100000183359 [1,1,0,0,0,0|2,0,0]=4 400 B10R0.59 C=C[C@H](N)COCC(=O)NC 34a_100016989147_100000183359 [1,1,0,0,0,0|1,1,0]=4 401 B10R0.59 CNC(=O)CSCC(O)CO 62a_100000183359_100011219619 [1,1,0,0,0,0|1,0,1]=4 402 B10R0.59 CNC(=O)CSCC(O)CO 62a_100011219619_100000183359 [1,1,0,0,0,0|1,0,1]=4 403 B10R0.59 CNC(=O)CSC[C@@H](C)CO 62a_100000059175_100000183359 [1,1,0,0,0,0|1,0,1]=4 404 B10R0.59 CNC(=O)CSC[C@@H](C)CO 62a_100000183359_100000059175 [1,1,0,0,0,0|1,0,1]=4 405 B10R0.59 CNC(=O)CSC[C@@H](O)CO 62a_100000183359_100009815848 [1,1,0,0,0,0|1,0,1]=4 406 B10R0.59 CNC(=O)CSC[C@@H](O)CO 62a_100009815848_100000183359 [1,1,0,0,0,0|1,0,1]=4 407 B10R0.65 CC(C)(CO)CSCC(=O)N 62a_100000747473_100009813988 [1,1,0,0,0,0|1,0,1]=4 408 B10R0.65 CC(C)(CO)CSCC(=O)N 62a_100009813988_100000747473 [1,1,0,0,0,0|1,0,1]=4 409 B10R0.82 C=CC(O)CSC(C)C(=O)N 62a_100000702099_100000730141 [1,1,0,0,0,0|2,0,0]=4 410 B10R0.82 C=CC(O)CSC(C)C(=O)N 62a_100000730141_100000702099 [1,1,0,0,0,0|2,0,0]=4 411 B10R0.82 C=CC(O)CSC(F)C(=O)N 62a_100000730141_100009813875 [1,1,0,0,0,0|2,0,0]=4 412 B10R0.82 C=CC(O)CSC(F)C(=O)N 62a_100009813875_100000730141 [1,1,0,0,0,0|2,0,0]=4 413 B10R0.82 C=C[C@H](N)COC(C)C(=O)N 34a_100016989147_100000702099 [1,1,0,0,0,0|1,1,0]=4 414 B10R0.82 C=C[C@H](N)COC(F)C(=O)N 34a_100016989147_100009813875 [1,1,0,0,0,0|1,1,0]=4 415 B10R0.82 CC(SCC(O)CO)C(=O)N 62a_100000702099_100011219619 [1,1,0,0,0,0|1,0,1]=4 416 B10R0.82 CC(SCC(O)CO)C(=O)N 62a_100011219619_100000702099 [1,1,0,0,0,0|1,0,1]=4 417 B10R0.82 CC(SC[C@@H](C)CO)C(=O)N 62a_100000059175_100000702099 [1,1,0,0,0,0|1,0,1]=4 418 B10R0.82 CC(SC[C@@H](C)CO)C(=O)N 62a_100000702099_100000059175 [1,1,0,0,0,0|1,0,1]=4 419 B10R0.82 CC(SC[C@@H](O)CO)C(=O)N 62a_100000702099_100009815848 [1,1,0,0,0,0|1,0,1]=4 420 B10R0.82 CC(SC[C@@H](O)CO)C(=O)N 62a_100009815848_100000702099 [1,1,0,0,0,0|1,0,1]=4 421 B10R0.82 C[C@@H](CO)CSC(F)C(=O)N 62a_100000059175_100009813875 [1,1,0,0,0,0|1,0,1]=4 422 B10R0.82 C[C@@H](CO)CSC(F)C(=O)N 62a_100009813875_100000059175 [1,1,0,0,0,0|1,0,1]=4 423 B10R0.82 NC(=O)C(F)SCC(O)CO 62a_100009813875_100011219619 [1,1,0,0,0,0|1,0,1]=4 424 B10R0.82 NC(=O)C(F)SCC(O)CO 62a_100011219619_100009813875 [1,1,0,0,0,0|1,0,1]=4 425 B10R0.82 NC(=O)C(F)SC[C@@H](O)CO 62a_100009813875_100009815848 [1,1,0,0,0,0|1,0,1]=4 426 B10R0.82 NC(=O)C(F)SC[C@@H](O)CO 62a_100009815848_100009813875 [1,1,0,0,0,0|1,0,1]=4 427 B10R0.42 CC(C)(CNCC=O)C(=O)O 269956a_100000693527_200015260668 [1,1,0,0,0,0|2,0,0]=4 428 B10R0.42 CC(C)(CSCC=O)C(=O)N 62a_200009895572_200015260668 [1,1,0,0,0,0|2,0,0]=4 429 B10R0.42 CC(C)(CSCC=O)C(=O)N 62a_200015260668_200009895572 [1,1,0,0,0,0|2,0,0]=4 430 B10R0.42 O=CCNCC(F)(F)C(=O)O 269956a_100000734215_200015260668 [1,1,0,0,0,0|2,0,0]=4 431 B10R0.75 C[C@H](NCCCC=O)C(=O)O 269956a_100000743915_200011292268 [1,1,0,0,0,0|2,0,0]=4 432 B10R0.81 C[C@@H](OCC=O)[C@H](N)C(=O)N 34a_100000003557_200009817547 [1,1,0,0,0,0|1,1,0]=4 433 B10R0.83 C=C(CSCC=O)C(=O)OC 62a_100009813391_200015260668 [1,1,0,0,0,0|1,0,1]=4 434 B10R0.83 C=C(CSCC=O)C(=O)OC 62a_200015260668_100009813391 [1,1,0,0,0,0|1,0,1]=4 435 B10R0.83 C=CCOC[C@@H](N)C(=O)OC 34a_100000003586_100015514636 [1,1,0,0,0,0|1,1,0]=4 436 B10R0.83 C=CCSCC(C)C(=O)OC 62a_100000210623_100000698445 [1,1,0,0,0,0|2,0,0]=4 437 B10R0.83 C=CCSCC(C)C(=O)OC 62a_100000698445_100000210623 [1,1,0,0,0,0|2,0,0]=4 438 B10R0.83 COC(=O)C(=O)CSCC=O 62a_100011610305_200015260668 [1,1,0,0,0,0|1,0,1]=4 439 B10R0.83 COC(=O)C(=O)CSCC=O 62a_200015260668_100011610305 [1,1,0,0,0,0|1,0,1]=4 440 B10R0.83 COC(=O)C(C)COCC=O 34a_100000749362_200009817547 [1,1,0,0,0,0|1,1,0]=4 441 B10R0.83 COC(=O)C(C)COCC=O 7a_100000749362_200015260668 [1,1,0,0,0,0|1,1,0]=4 442 B10R0.83 COC(=O)C(C)CSCC=O 62a_100000698445_200015260668 [1,1,0,0,0,0|1,0,0]=3 443 B10R0.83 COC(=O)C(C)CSCC=O 62a_200015260668_100000698445 [1,1,0,0,0,0|1,0,0]=3 444 B10R0.83 COC(=O)C(F)COCC=O 34a_200009849844_200009817547 [1,1,0,0,0,0|1,1,0]=4 445 B10R0.83 COC(=O)[C@H](N)COCC=O 34a_100000003586_200009817547 [1,1,0,0,0,0|0,1,0]=3 446 B10R0.83 NNC(=O)C(N)COCC=O 34a_100016989258_200009817547 [1,1,0,0,0,0|1,1,0]=4 447 B10R0.15 CC(=O)CCSCS(=O)(=O)N 62a_100000053229_100000741382 [1,1,0,0,0,0|2,0,0]=4 448 B10R0.15 CC(=O)CCSCS(=O)(=O)N 62a_100000741382_100000053229 [1,1,0,0,0,0|2,0,0]=4 449 B10R0.15 CC(C)(O)CCSCC(=O)N 62a_100000702414_100000747473 [1,1,0,0,0,0|1,0,1]=4 450 B10R0.15 CC(C)(O)CCSCC(=O)N 62a_100000747473_100000702414 [1,1,0,0,0,0|1,0,1]=4 451 B10R0.15 CS(=O)(=O)CCSCC(=O)N 62a_100000731031_100000747473 [1,1,0,0,0,0|1,0,1]=4 452 B10R0.15 CS(=O)(=O)CCSCC(=O)N 62a_100000747473_100000230027 [1,1,0,0,0,0|1,0,1]=4 453 B10R0.15 NC(=O)CCSCS(=O)(=O)N 62a_100000741382_100000744528 [1,1,0,0,0,0|2,0,0]=4 454 B10R0.15 NC(=O)CCSCS(=O)(=O)N 62a_100000744528_100000741382 [1,1,0,0,0,0|2,0,0]=4 455 B10R0.15 NC(=O)CSCCS(=O)(=O)[O-] 62a_100000747473_100000762736 [1,1,0,0,0,0|1,0,1]=4 456 B10R0.15 NC(=O)CSCCS(=O)(=O)[O-] 62a_100000762736_100000747473 [1,1,0,0,0,0|1,0,1]=4 457 B10R0.55 C#CC(=O)CCOCC(=O)N 1458a_100000211873_100000076697 [1,1,0,0,0,0|1,1,0]=4 458 B10R0.55 C=C(C)CCSCC(=O)NC 62a_100000183359_100000730704 [1,1,0,0,0,0|2,0,0]=4 459 B10R0.55 C=C(C)CCSCC(=O)NC 62a_100000730704_100000183359 [1,1,0,0,0,0|2,0,0]=4 460 B10R0.55 C=C(C)CSCCC(=O)OC 62a_100000204255_100000211660 [1,1,0,0,0,0|2,0,0]=4 461 B10R0.55 C=C(C)CSCCC(=O)OC 62a_100000748629_100000204255 [1,1,0,0,0,0|2,0,0]=4 462 B10R0.55 C=C(F)CSCCC(=O)OC 62a_100000042424_100000204255 [1,1,0,0,0,0|2,0,0]=4 463 B10R0.55 C=C(F)CSCCC(=O)OC 62a_100000204255_100000042424 [1,1,0,0,0,0|2,0,0]=4 464 B10R0.55 C=CC(=O)CCOCC(=O)N 1458a_100000185746_100000076697 [1,1,0,0,0,0|1,1,0]=4 465 B10R0.55 CC(=O)CCCCC(=O)CO 1458a_100000210174_100000735457 [1,1,0,0,0,0|2,0,0]=4 466 B10R0.55 CCC(=O)CCOCC(=O)N 1458a_100000210414_100000076697 [1,1,0,0,0,0|1,1,0]=4 467 B10R0.55 CCC(=O)CCSCC(=O)N 1458a_100000148550_100000210202 [1,1,0,0,0,0|1,0,0]=3 468 B10R0.55 CCC(=O)CSCCC(=O)C 62a_100000053229_100000747405 [1,1,0,0,0,0|2,0,0]=4 469 B10R0.55 CCC(=O)CSCCC(=O)C 62a_100000747405_100000053229 [1,1,0,0,0,0|2,0,0]=4 470 B10R0.55 CCC(=O)CSCCC(=O)N 62a_100000744528_100000747405 [1,1,0,0,0,0|2,0,0]=4 471 B10R0.55 CCC(=O)CSCCC(=O)N 62a_100000747405_100000744528 [1,1,0,0,0,0|2,0,0]=4 472 B10R0.55 CNC(=O)CCNCC(=O)N 2230a_100000711301_100000737683 [1,1,0,0,0,0|2,0,0]=4 473 B10R0.55 CNC(=O)CCNCC(=O)N 2230a_100000738227_100000747473 [1,1,0,0,0,0|2,0,0]=4 474 B10R0.55 CNC(=O)CCNCC(=O)N 34a_100000738227_100000187820 [1,1,0,0,0,0|2,0,0]=4 475 B10R0.55 CNC(=O)CCNCC(=O)O 269956a_100016091260_100000737683 [1,1,0,0,0,0|2,0,0]=4 476 B10R0.55 CNC(=O)CCOCC(=O)N 34a_100000754576_100000187820 [1,1,0,0,0,0|1,1,0]=4 477 B10R0.55 CNC(=O)CCSCC(=O)N 11a_106832991635_100000148550 [1,1,0,0,0,0|1,0,0]=3 478 B10R0.55 CNC(=O)CCSCC(=O)N 240690a_100102657272_100000148550 [1,1,0,0,0,0|1,0,0]=3 479 B10R0.55 CNC(=O)CCSCC(=O)N 527a_100102657272_100000148550 [1,1,0,0,0,0|1,0,0]=3 480 B10R0.55 CNC(=O)CCSCC(=O)N 62a_100000737683_100000747473 [1,1,0,0,0,0|1,0,0]=3 481 B10R0.55 CNC(=O)CCSCC(=O)N 62a_100000747473_100000737683 [1,1,0,0,0,0|1,0,0]=3 482 B10R0.55 CNC(=O)CCSCC(=O)[O-] 62a_100000737683_100020667443 [1,1,0,0,0,0|2,0,0]=4 483 B10R0.55 CNC(=O)CCSCC(=O)[O-] 62a_100020667443_100000737683 [1,1,0,0,0,0|2,0,0]=4 484 B10R0.55 CNC(=O)CNCCC(=O)N 2230a_100000693194_100000744528 [1,1,0,0,0,0|2,0,0]=4 485 B10R0.55 CNC(=O)CNOCC(=O)O 269956a_100000106656_100000183359 [1,1,0,0,0,0|2,0,0]=4 486 B10R0.55 CNC(=O)COCCC(=O)C 34a_100000759926_100000183359 [1,1,0,0,0,0|1,1,0]=4 487 B10R0.55 CNC(=O)COCCC(=O)C 7a_100000759926_100000183359 [1,1,0,0,0,0|1,1,0]=4 488 B10R0.55 CNC(=O)COCCC(=O)N 34a_100000750040_100000731001 [1,1,0,0,0,0|1,1,0]=4 489 B10R0.55 CNC(=O)COCCC(=O)N 34a_100000757172_100000183359 [1,1,0,0,0,0|1,1,0]=4 490 B10R0.55 CNC(=O)COCCC(=O)N 7a_100000757172_100000183359 [1,1,0,0,0,0|1,1,0]=4 491 B10R0.55 CNC(=O)CSCCC(=O)C 62a_100000053229_100000183359 [1,1,0,0,0,0|1,0,0]=3 492 B10R0.55 CNC(=O)CSCCC(=O)C 62a_100000183359_100000053229 [1,1,0,0,0,0|1,0,0]=3 493 B10R0.55 CNC(=O)CSCCC(=O)N 62a_100000183359_100000744528 [1,1,0,0,0,0|1,0,0]=3 494 B10R0.55 CNC(=O)CSCCC(=O)N 62a_100000744528_100000183359 [1,1,0,0,0,0|1,0,0]=3 495 B10R0.55 CNC(=O)CSCCC(C)O 62a_100000183359_100012276601 [1,1,0,0,0,0|1,0,1]=4 496 B10R0.55 CNC(=O)CSCCC(C)O 62a_100012276601_100000183359 [1,1,0,0,0,0|1,0,1]=4 497 B10R0.55 CNC(=O)CSCOC(=O)C 62a_100000076356_100000183359 [1,1,0,0,0,0|2,0,0]=4 498 B10R0.55 CNC(=O)CSCOC(=O)C 62a_100000183359_100000076356 [1,1,0,0,0,0|2,0,0]=4 499 B10R0.55 COC(=O)CCCCC(=O)C 1458a_100000070787_100000204269 [1,1,0,0,0,0|2,0,0]=4 500 B10R0.55 COC(=O)CCCCC(=O)C 1458a_100000695723_200000210301 [1,1,0,0,0,0|2,0,0]=4 501 B10R0.55 COC(=O)CCCCC(=O)[13CH3] 1458a_100000695723_200025704644 [1,1,0,0,0,0|2,0,0]=4 502 B10R0.55 COC(=O)CCNCC(=O)N 2230a_100000711301_100000204255 [1,1,0,0,0,0|1,0,0]=3 503 B10R0.55 COC(=O)CCNCC(=O)O 269956a_100016091260_100000204255 [1,1,0,0,0,0|2,0,0]=4 504 B10R0.55 COC(=O)CCOCC(=O)C 34a_100000211253_100000742370 [1,1,0,0,0,0|1,1,0]=4 505 B10R0.55 COC(=O)CCSCC(=O)N 62a_100000204255_100000747473 [1,1,0,0,0,0|0,0,0]=2 506 B10R0.55 COC(=O)CCSCC(=O)N 62a_100000747473_100000204255 [1,1,0,0,0,0|0,0,0]=2 507 B10R0.55 COC(=O)CCSCC(=O)[O-] 62a_100000204255_100020667443 [1,1,0,0,0,0|1,0,0]=3 508 B10R0.55 COC(=O)CCSCC(=O)[O-] 62a_100020667443_100000204255 [1,1,0,0,0,0|1,0,0]=3 509 B10R0.55 COC(=O)CCSC[N+](=O)[O-] 62a_100000204255_100000761209 [1,1,0,0,0,0|2,0,0]=4 510 B10R0.55 COC(=O)COCCC(=O)N 34a_100000757172_100000747449 [1,1,0,0,0,0|2,0,0]=4 511 B10R0.55 COC(=O)COCCC(=O)N 7a_100000757172_100000747449 [1,1,0,0,0,0|2,0,0]=4 512 B10R0.55 COC(=O)CSCCC(=O)C 62a_100000053229_100000747449 [1,1,0,0,0,0|2,0,0]=4 513 B10R0.55 COC(=O)CSCCC(=O)C 62a_100000747449_100000053229 [1,1,0,0,0,0|2,0,0]=4 514 B10R0.55 COC(=O)CSCCC(=O)N 62a_100000744528_100000747449 [1,1,0,0,0,0|2,0,0]=4 515 B10R0.55 COC(=O)CSCCC(=O)N 62a_100000747449_100000744528 [1,1,0,0,0,0|2,0,0]=4 516 B10R0.55 COC(=O)OCSCC(=O)N 62a_100000747473_100000139417 [1,1,0,0,0,0|1,0,0]=3 517 B10R0.55 COC(=O)OCSCC(=O)[O-] 62a_100020667443_100000139417 [1,1,0,0,0,0|2,0,0]=4 518 B10R0.55 NC(=O)CCCNC(=O)CO 240690a_100000739312_100000210174 [1,1,0,0,0,0|2,0,0]=4 519 B10R0.55 NC(=O)CCCNC(=O)CO 527a_100000739312_100000210174 [1,1,0,0,0,0|2,0,0]=4 520 B10R0.55 NC(=O)COCCC(=NO)N 34a_100000749954_100000187820 [1,1,0,0,0,0|1,1,0]=4 521 B10R0.55 NC(=O)COCCC(=O)CO 1458a_100000210174_100000076697 [1,1,0,0,0,0|0,1,0]=3 522 B10R0.55 NC(=O)CSCCC(=O)CF 1458a_100000148550_100015361967 [1,1,0,0,0,0|1,0,0]=3 523 B10R0.96 CC(=O)OC(C)SCC(=O)N 62a_100000747473_100009818208 [1,1,0,0,0,0|2,0,0]=4 524 B10R0.96 CC(=O)OC(C)SCC(=O)N 62a_100009818208_100000747473 [1,1,0,0,0,0|2,0,0]=4 525 B10R0.96 CN(CCC(=O)N)CC(=O)N 2230a_100000730477_100000747473 [1,1,0,0,0,0|2,0,0]=4 526 B10R0.96 CN(CCC(=O)N)CC(=O)N 2230a_100000739694_100000744528 [1,1,0,0,0,0|2,0,0]=4 527 B10R0.96 CN(CCC(=O)N)CC(=O)O 269956a_100000746989_100000744528 [1,1,0,0,0,0|2,0,0]=4 528 B10R0.96 NC(=O)CCC(=O)CC(=O)N 1458a_100011215257_100000187820 [1,1,0,0,0,0|2,0,0]=4 529 B10R0.13 CC(C(=O)O)N(C)CC(=O)N 269956a_100000749554_100000187820 [0,1,0,0,1,0|2,0,0]=4 530 B10R0.43 CC(=O)C(C)(C)SCC(=O)N 62a_100000075568_100000747473 [0,1,0,0,1,0|2,0,0]=4 531 B10R0.43 CC(=O)C(C)(C)SCC(=O)N 62a_100000747473_100000075568 [0,1,0,0,1,0|2,0,0]=4 532 B10R0.43 CC(C)(SCC(=O)N)C(=O)N 62a_100000702505_100000747473 [0,1,0,0,1,0|2,0,0]=4 533 B10R0.43 CC(C)(SCC(=O)N)C(=O)N 62a_100000747473_100000702505 [0,1,0,0,1,0|2,0,0]=4 534 B10R0.43 NC(=O)CSC(F)(F)C(=O)N 62a_100000747473_100009811971 [0,1,0,0,1,0|2,0,0]=4 535 B10R0.43 NC(=O)CSC(F)(F)C(=O)N 62a_100009811971_100000747473 [0,1,0,0,1,0|2,0,0]=4 536 B10R0.43 NC(=O)CSC(F)(F)C(=O)[O-] 62a_100000745680_100000747473 [0,1,0,0,1,0|1,0,1]=4 537 B10R0.43 NC(=O)CSC(F)(F)C(=O)[O-] 62a_100000747473_100000745680 [0,1,0,0,1,0|1,0,1]=4 538 B10R0.84 C=C[C@H](NCC(=O)N)C(=O)O 269956a_100016992060_100000187820 [0,1,0,0,1,0|2,0,0]=4 539 B10R0.84 CCC(SCC(=O)N)C(=O)N 62a_100000747473_100000750255 [0,1,0,0,1,0|2,0,0]=4 540 B10R0.84 CCC(SCC(=O)N)C(=O)N 62a_100000750255_100000747473 [0,1,0,0,1,0|2,0,0]=4 541 B10R0.84 CC[C@@H](NCC(=O)N)C(=O)O 269956a_100000747097_100000187820 [0,1,0,0,1,0|2,0,0]=4 542 B10R0.84 CN[C@@H](CCC(=O)N)C(=O)N 2230a_200000143477_200000210301 [0,1,0,0,1,0|1,0,0]=3 543 B10R0.84 CN[C@@H](CCC(=O)N)C(=O)N 34a_200000143477_200000210301 [0,1,0,0,1,0|1,0,0]=3 544 B10R0.84 CN[C@@H](CCS(=O)C)C(=O)O 269956a_100015235763_200000210301 [0,1,0,0,1,0|2,0,0]=4 545 B10R0.84 CS(=O)CC[C@H](N[13CH3])C(=O)O 269956a_100015235763_200025704644 [0,1,0,0,1,0|2,0,0]=4 546 B10R0.84 NC(=O)CNC(CO)C(=O)O 269956a_100000187304_100000187820 [0,1,0,0,1,0|2,0,0]=4 547 B10R0.84 [13CH3]N[C@@H](CCC(=O)N)C(=O)N 2230a_200000143477_200025704644 [0,1,0,0,1,0|1,0,0]=3 548 B10R0.84 [13CH3]N[C@@H](CCC(=O)N)C(=O)N 34a_200000143477_200025704644 [0,1,0,0,1,0|1,0,0]=3 549 B10R0.93 CC(=O)C(C)SC(C)C(=O)N 62a_100000702099_100009814033 [0,1,0,0,1,0|2,0,0]=4 550 B10R0.93 CC(=O)C(C)SC(C)C(=O)N 62a_100009814033_100000702099 [0,1,0,0,1,0|2,0,0]=4 551 B10R0.93 CC(=O)C(C)SC(F)C(=O)N 62a_100009813875_100009814033 [0,1,0,0,1,0|2,0,0]=4 552 B10R0.93 CC(=O)C(C)SC(F)C(=O)N 62a_100009814033_100009813875 [0,1,0,0,1,0|2,0,0]=4 553 B10R0.93 CC(SC(C)C(=O)N)C(=O)N 62a_100000702099_100000702099 [0,1,0,0,1,0|2,0,0]=4 554 B10R0.93 CC(SC(F)C(=O)N)C(=O)N 62a_100000702099_100009813875 [0,1,0,0,1,0|2,0,0]=4 555 B10R0.93 CC(SC(F)C(=O)N)C(=O)N 62a_100009813875_100000702099 [0,1,0,0,1,0|2,0,0]=4 556 B10R0.93 CC(SC(F)C(=O)[O-])C(=O)N 62a_100000702099_100020610796 [0,1,0,0,1,0|1,0,1]=4 557 B10R0.93 CC(SC(F)C(=O)[O-])C(=O)N 62a_100020610796_100000702099 [0,1,0,0,1,0|1,0,1]=4 558 B10R0.93 NC(=O)C(F)SC(F)C(=O)N 62a_100009813875_100009813875 [0,1,0,0,1,0|2,0,0]=4 559 B10R0.93 NC(=O)C(F)SC(F)C(=O)[O-] 62a_100009813875_100020610796 [0,1,0,0,1,0|1,0,1]=4 560 B10R0.93 NC(=O)C(F)SC(F)C(=O)[O-] 62a_100020610796_100009813875 [0,1,0,0,1,0|1,0,1]=4 561 B12R0.240 COC(=O)CC(=O)CSCC(=O)N 62a_100000210525_100000747473 [0,1,0,0,0,1|1,0,1]=4 562 B12R0.240 COC(=O)CC(=O)CSCC(=O)N 62a_100000747473_100000210525 [0,1,0,0,0,1|1,0,1]=4 563 B12R0.240 COC(=O)C[C@@H](O)CSCC(=O)N 62a_100000747473_100000754131 [0,1,0,0,0,1|1,0,0]=3 564 B12R0.240 COC(=O)C[C@@H](O)CSCC(=O)N 62a_100000754131_100000747473 [0,1,0,0,0,1|1,0,0]=3 565 B12R0.240 COC(=O)C[C@@H](O)CSCC(=O)[O-] 62a_100000754131_100020667443 [0,1,0,0,0,1|2,0,0]=4 566 B12R0.240 COC(=O)C[C@@H](O)CSCC(=O)[O-] 62a_100020667443_100000754131 [0,1,0,0,0,1|2,0,0]=4 567 B12R0.240 COC(=O)NC(=O)CSCC(=O)N 62a_100000747473_100000010850 [0,1,0,0,0,1|1,0,1]=4 568 B12R0.241 CNC(=O)CNCC(O)CC(=O)O 269956a_100011218706_100000183359 [0,1,0,0,0,1|2,0,0]=4 569 B12R0.86 C=C(CSCCC(=O)N)C(=O)OC 62a_100000744528_100009813391 [0,1,0,0,0,1|1,0,1]=4 570 B12R0.86 C=C(CSCCC(=O)N)C(=O)OC 62a_100009813391_100000744528 [0,1,0,0,0,1|1,0,1]=4 571 B12R0.86 COC(=O)C(=O)CSCCC(=O)N 62a_100000744528_100011610305 [0,1,0,0,0,1|1,0,1]=4 572 B12R0.86 COC(=O)C(=O)CSCCC(=O)N 62a_100011610305_100000744528 [0,1,0,0,0,1|1,0,1]=4 573 B12R0.86 COC(=O)C(C)CCNCC(=O)N 2230a_100000711301_100000034942 [0,1,0,0,0,1|2,0,0]=4 574 B12R0.86 COC(=O)C(C)CCSCC(=O)N 62a_100000034942_100000747473 [0,1,0,0,0,1|1,0,0]=3 575 B12R0.86 COC(=O)C(C)CCSCC(=O)N 62a_100000747473_100000034942 [0,1,0,0,0,1|1,0,0]=3 576 B12R0.86 COC(=O)C(C)CCSCC(=O)[O-] 62a_100000034942_100020667443 [0,1,0,0,0,1|2,0,0]=4 577 B12R0.86 COC(=O)C(C)CCSCC(=O)[O-] 62a_100020667443_100000034942 [0,1,0,0,0,1|2,0,0]=4 578 B12R0.86 COC(=O)C(C)COCCC(=O)N 34a_100000749362_100000731001 [0,1,0,0,0,1|1,1,0]=4 579 B12R0.86 COC(=O)C(C)COCCC(=O)N 34a_100000757172_100000698445 [0,1,0,0,0,1|1,1,0]=4 580 B12R0.86 COC(=O)C(C)COCCC(=O)N 7a_100000749362_100000744528 [0,1,0,0,0,1|1,1,0]=4 581 B12R0.86 COC(=O)C(C)CSCCC(=O)C 62a_100000053229_100000698445 [0,1,0,0,0,1|2,0,0]=4 582 B12R0.86 COC(=O)C(C)CSCCC(=O)C 62a_100000698445_100000053229 [0,1,0,0,0,1|2,0,0]=4 583 B12R0.86 COC(=O)C(C)CSCCC(=O)N 62a_100000698445_100000744528 [0,1,0,0,0,1|1,0,0]=3 584 B12R0.86 COC(=O)C(C)CSCCC(=O)N 62a_100000744528_100000698445 [0,1,0,0,0,1|1,0,0]=3 585 B12R0.86 COC(=O)C(C)CSCOC(=O)C 62a_100000076356_100000698445 [0,1,0,0,0,1|2,0,0]=4 586 B12R0.86 COC(=O)C(C)CSCOC(=O)C 62a_100000698445_100000076356 [0,1,0,0,0,1|2,0,0]=4 587 B12R0.86 COC(=O)C(C)NCCCC(=O)N 34a_100000739312_100000211248 [0,1,0,0,0,1|2,0,0]=4 588 B12R0.86 COC(=O)C(C)OCCCC(=O)N 34a_100011215400_100102525003 [0,1,0,0,0,1|2,0,0]=4 589 B12R0.86 COC(=O)C(C)SCCCC(=O)N 62a_100000211248_100102525003 [0,1,0,0,0,1|2,0,0]=4 590 B12R0.86 COC(=O)C(C)SCCCC(=O)N 62a_100102525003_100000211248 [0,1,0,0,0,1|2,0,0]=4 591 B12R0.86 COC(=O)C(F)COCCC(=O)N 34a_200009849844_100000731001 [0,1,0,0,0,1|1,1,0]=4 592 B12R0.86 COC(=O)[C@H](N)COCCC(=O)N 34a_100000003586_100000731001 [0,1,0,0,0,1|0,1,0]=3 593 B12R0.86 COC(=O)[C@H](N)COCOC(=O)C 34a_100000003586_100009813279 [0,1,0,0,0,1|1,1,0]=4 594 B12R0.86 NNC(=O)C(N)COCCC(=O)N 34a_100016989258_100000731001 [0,1,0,0,0,1|1,1,0]=4 595 B12R0.186 CNC(=O)CCCN[C@@H](C)C(=O)O 269956a_100000743915_100000741757 [0,1,0,0,0,1|2,0,0]=4 596 B12R0.186 CNC(=O)CCNCC(C)C(=O)O 269956a_100000749485_100000737683 [0,1,0,0,0,1|2,0,0]=4 597 B12R0.186 CNC(=O)CCNCC(F)C(=O)O 269956a_100000084737_100000737683 [0,1,0,0,0,1|2,0,0]=4 598 B12R0.186 CNC(=O)CCOC[C@H](N)C(=O)N 34a_100000729942_100012179268 [0,1,0,0,0,1|1,1,0]=4 599 B12R0.238 C=C[C@H](NCCCC(=O)N)C(=O)O 269956a_100016992060_100102525003 [0,1,0,0,0,1|2,0,0]=4 600 B12R0.238 CC(=O)NCSC[C@H](N[13CH3])C(=O)N 2230a_200025761755_200025704644 [0,1,0,0,0,1|2,0,0]=4 601 B12R0.238 CC[C@@H](NCCCC(=O)N)C(=O)O 269956a_100000747097_100102525003 [0,1,0,0,0,1|2,0,0]=4 602 B12R0.238 CN[C@@H](CSCNC(=O)C)C(=O)N 2230a_200025761755_200000210301 [0,1,0,0,0,1|2,0,0]=4 603 B12R0.238 NC(=O)CCCNC(CO)C(=O)O 269956a_100000187304_100102525003 [0,1,0,0,0,1|2,0,0]=4 604 B12R0.692 CC(C)(CNCCC(=O)N)C(=O)O 269956a_100000693527_100000744528 [0,1,0,0,0,1|2,0,0]=4 605 B12R0.692 CC(C)(CSCCC(=O)N)C(=O)N 62a_100000744528_200009895572 [0,1,0,0,0,1|2,0,0]=4 606 B12R0.692 CC(C)(CSCCC(=O)N)C(=O)N 62a_200009895572_100000744528 [0,1,0,0,0,1|2,0,0]=4 607 B12R0.692 NC(=O)CCNCC(F)(F)C(=O)O 269956a_100000734215_100000744528 [0,1,0,0,0,1|2,0,0]=4 608 B12R0.262 CC(O[C@H](C)[C@H](N)C(=O)N)C(=O)N 34a_100000003557_100000702099 [0,2,0,0,0,0|1,1,0]=4 609 B12R0.262 C[C@@H](OC(F)C(=O)N)[C@H](N)C(=O)N 34a_100000003557_100009813875 [0,2,0,0,0,0|1,1,0]=4 610 B12R0.156 C=C(CSCC(=O)NC)C(=O)OC 62a_100000183359_100009813391 [0,2,0,0,0,0|1,0,1]=4 611 B12R0.156 C=C(CSCC(=O)NC)C(=O)OC 62a_100009813391_100000183359 [0,2,0,0,0,0|1,0,1]=4 612 B12R0.156 CCC(=O)CSCC(C)C(=O)OC 62a_100000698445_100000747405 [0,2,0,0,0,0|2,0,0]=4 613 B12R0.156 CCC(=O)CSCC(C)C(=O)OC 62a_100000747405_100000698445 [0,2,0,0,0,0|2,0,0]=4 614 B12R0.156 CNC(=O)COCC(C)C(=O)OC 34a_100000749362_100000183359 [0,2,0,0,0,0|1,1,0]=4 615 B12R0.156 CNC(=O)COCC(C)C(=O)OC 34a_100000750040_100000698445 [0,2,0,0,0,0|1,1,0]=4 616 B12R0.156 CNC(=O)COCC(C)C(=O)OC 7a_100000749362_100000183359 [0,2,0,0,0,0|1,1,0]=4 617 B12R0.156 CNC(=O)COCC(F)C(=O)OC 34a_200009849844_100000183359 [0,2,0,0,0,0|1,1,0]=4 618 B12R0.156 CNC(=O)COCC(N)C(=O)NN 34a_100016989258_100000183359 [0,2,0,0,0,0|1,1,0]=4 619 B12R0.156 CNC(=O)COC[C@@H](N)C(=O)OC 34a_100000003586_100000183359 [0,2,0,0,0,0|0,1,0]=3 620 B12R0.156 CNC(=O)CSCC(=O)C(=O)OC 62a_100000183359_100011610305 [0,2,0,0,0,0|1,0,1]=4 621 B12R0.156 CNC(=O)CSCC(=O)C(=O)OC 62a_100011610305_100000183359 [0,2,0,0,0,0|1,0,1]=4 622 B12R0.156 CNC(=O)CSCC(C)C(=O)OC 62a_100000183359_100000698445 [0,2,0,0,0,0|1,0,0]=3 623 B12R0.156 CNC(=O)CSCC(C)C(=O)OC 62a_100000698445_100000183359 [0,2,0,0,0,0|1,0,0]=3 624 B12R0.156 COC(=O)COC[C@@H](N)C(=O)OC 34a_100000003586_100000747449 [0,2,0,0,0,0|1,1,0]=4 625 B12R0.156 COC(=O)CSCC(C)C(=O)OC 62a_100000698445_100000747449 [0,2,0,0,0,0|2,0,0]=4 626 B12R0.156 COC(=O)CSCC(C)C(=O)OC 62a_100000747449_100000698445 [0,2,0,0,0,0|2,0,0]=4 627 B12R0.236 C=C(CSC(C)C(=O)N)C(=O)OC 62a_100000702099_100009813391 [0,2,0,0,0,0|1,0,1]=4 628 B12R0.236 C=C(CSC(C)C(=O)N)C(=O)OC 62a_100009813391_100000702099 [0,2,0,0,0,0|1,0,1]=4 629 B12R0.236 C=C(CSC(F)C(=O)N)C(=O)OC 62a_100009813391_100009813875 [0,2,0,0,0,0|1,0,1]=4 630 B12R0.236 C=C(CSC(F)C(=O)N)C(=O)OC 62a_100009813875_100009813391 [0,2,0,0,0,0|1,0,1]=4 631 B12R0.236 CC(OCC(N)C(=O)NN)C(=O)N 34a_100016989258_100000702099 [0,2,0,0,0,0|1,1,0]=4 632 B12R0.236 CNC(=O)C(C)NCC(C)C(=O)O 269956a_100000749485_100000209862 [0,2,0,0,0,0|2,0,0]=4 633 B12R0.236 CNC(=O)C(C)NCC(F)C(=O)O 269956a_100000084737_100000209862 [0,2,0,0,0,0|2,0,0]=4 634 B12R0.236 CNC(=O)C(C)OC[C@H](N)C(=O)N 34a_100000729942_100000731044 [0,2,0,0,0,0|1,1,0]=4 635 B12R0.236 CNC(=O)C(F)OC[C@H](N)C(=O)N 34a_100000729942_100009813575 [0,2,0,0,0,0|1,1,0]=4 636 B12R0.236 COC(=O)C(=O)CSC(C)C(=O)N 62a_100000702099_100011610305 [0,2,0,0,0,0|1,0,1]=4 637 B12R0.236 COC(=O)C(=O)CSC(C)C(=O)N 62a_100011610305_100000702099 [0,2,0,0,0,0|1,0,1]=4 638 B12R0.236 COC(=O)C(=O)CSC(F)C(=O)N 62a_100009813875_100011610305 [0,2,0,0,0,0|1,0,1]=4 639 B12R0.236 COC(=O)C(=O)CSC(F)C(=O)N 62a_100011610305_100009813875 [0,2,0,0,0,0|1,0,1]=4 640 B12R0.236 COC(=O)C(C)CN[C@H](C)C(=O)N 34a_100000119354_100000698445 [0,2,0,0,0,0|2,0,0]=4 641 B12R0.236 COC(=O)C(C)COC(C)C(=O)N 34a_100000749362_100000702099 [0,2,0,0,0,0|1,1,0]=4 642 B12R0.236 COC(=O)C(C)COC(C)C(=O)N 7a_100000749362_100000702099 [0,2,0,0,0,0|1,1,0]=4 643 B12R0.236 COC(=O)C(C)COC(F)C(=O)N 34a_100000749362_100009813875 [0,2,0,0,0,0|1,1,0]=4 644 B12R0.236 COC(=O)C(C)COC(F)C(=O)N 7a_100000749362_100009813875 [0,2,0,0,0,0|1,1,0]=4 645 B12R0.236 COC(=O)C(C)CO[C@H](C)C(=O)N 34a_100000731257_100000698445 [0,2,0,0,0,0|1,1,0]=4 646 B12R0.236 COC(=O)C(C)CSC(C)C(=O)C 62a_100000698445_100009814033 [0,2,0,0,0,0|2,0,0]=4 647 B12R0.236 COC(=O)C(C)CSC(C)C(=O)C 62a_100009814033_100000698445 [0,2,0,0,0,0|2,0,0]=4 648 B12R0.236 COC(=O)C(C)CSC(C)C(=O)N 62a_100000698445_100000702099 [0,2,0,0,0,0|1,0,0]=3 649 B12R0.236 COC(=O)C(C)CSC(C)C(=O)N 62a_100000702099_100000698445 [0,2,0,0,0,0|1,0,0]=3 650 B12R0.236 COC(=O)C(C)CSC(F)C(=O)N 62a_100000698445_100009813875 [0,2,0,0,0,0|1,0,0]=3 651 B12R0.236 COC(=O)C(C)CSC(F)C(=O)N 62a_100009813875_100000698445 [0,2,0,0,0,0|1,0,0]=3 652 B12R0.236 COC(=O)C(C)CSC(F)C(=O)[O-] 62a_100000698445_100020610796 [0,2,0,0,0,0|2,0,0]=4 653 B12R0.236 COC(=O)C(C)CSC(F)C(=O)[O-] 62a_100020610796_100000698445 [0,2,0,0,0,0|2,0,0]=4 654 B12R0.236 COC(=O)C(F)COC(C)C(=O)N 34a_200009849844_100000702099 [0,2,0,0,0,0|1,1,0]=4 655 B12R0.236 COC(=O)C(F)COC(F)C(=O)N 34a_200009849844_100009813875 [0,2,0,0,0,0|1,1,0]=4 656 B12R0.236 COC(=O)[C@H](N)COC(C)C(=O)N 34a_100000003586_100000702099 [0,2,0,0,0,0|0,1,0]=3 657 B12R0.236 COC(=O)[C@H](N)COC(F)C(=O)N 34a_100000003586_100009813875 [0,2,0,0,0,0|0,1,0]=3 658 B12R0.236 COC(=O)[C@H](N)COC(F)C(=O)[O-] 34a_100000003586_100020610796 [0,2,0,0,0,0|1,1,0]=4 659 B12R0.236 NNC(=O)C(N)COC(F)C(=O)N 34a_100016989258_100009813875 [0,2,0,0,0,0|1,1,0]=4 660 B12R0.279 CC(CNCC(=O)NCO)C(=O)O 269956a_100000749485_100000185155 [0,2,0,0,0,0|2,0,0]=4 661 B12R0.279 CCNC(=O)CNCC(C)C(=O)O 269956a_100000749485_100000183381 [0,2,0,0,0,0|2,0,0]=4 662 B12R0.279 CCNC(=O)CNCC(F)C(=O)O 269956a_100000084737_100000183381 [0,2,0,0,0,0|2,0,0]=4 663 B12R0.279 CCNC(=O)COC[C@H](N)C(=O)N 34a_100000729942_100000183381 [0,2,0,0,0,0|1,1,0]=4 664 B12R0.279 NC(=O)[C@@H](N)COCC(=O)NCO 34a_100000729942_100000185155 [0,2,0,0,0,0|1,1,0]=4 665 B12R0.279 O=C(CNCC(F)C(=O)O)NCO 269956a_100000084737_100000185155 [0,2,0,0,0,0|2,0,0]=4 666 B12R0.346 CNC(=O)CO[C@H](C)[C@H](N)C(=O)N 34a_100000003557_100000183359 [0,2,0,0,0,0|1,1,0]=4 667 B12R0.632 CNC(=O)CNCC(C)(C)C(=O)O 269956a_100000693527_100000183359 [0,2,0,0,0,0|2,0,0]=4 668 B12R0.632 CNC(=O)CNCC(F)(F)C(=O)O 269956a_100000734215_100000183359 [0,2,0,0,0,0|2,0,0]=4 669 B12R0.632 CNC(=O)CSCC(C)(C)C(=O)N 62a_100000183359_200009895572 [0,2,0,0,0,0|2,0,0]=4 670 B12R0.632 CNC(=O)CSCC(C)(C)C(=O)N 62a_200009895572_100000183359 [0,2,0,0,0,0|2,0,0]=4 671 B12R0.54 C=C(CSCC(=O)N)C(=O)OCC 62a_100000747473_100000755967 [0,2,0,0,0,0|1,0,1]=4 672 B12R0.54 C=C(CSCC(=O)N)C(=O)OCC 62a_100000755967_100000747473 [0,2,0,0,0,0|1,0,1]=4 673 B12R0.54 CCOC(=O)C(=O)CSCC(=O)N 62a_100000211299_100000747473 [0,2,0,0,0,0|1,0,1]=4 674 B12R0.54 CCOC(=O)C(=O)CSCC(=O)N 62a_100000747473_100000211299 [0,2,0,0,0,0|1,0,1]=4 675 B12R0.88 CNC(=O)[C@@H](N)[C@@H](C)OCC(=O)N 34a_100102634413_100000187820 [0,2,0,0,0,0|1,1,0]=4 676 B12R0.88 COC(=O)C(=O)C(C)SCC(=O)N 62a_100000692041_100000747473 [0,2,0,0,0,0|1,0,1]=4 677 B12R0.88 COC(=O)C(=O)C(C)SCC(=O)N 62a_100000747473_100000692041 [0,2,0,0,0,0|1,0,1]=4 678 B12R0.88 COC(=O)[C@@H](N)[C@@H](C)OCC(=O)N 34a_100000004424_100000187820 [0,2,0,0,0,0|0,1,0]=3 679 B12R0.88 COC(=O)[C@@H](N)[C@@H](C)OCC(=O)[O-] 34a_100000004424_100020667443 [0,2,0,0,0,0|1,1,0]=4 680 B12R0.90 COC(=O)C(C)CSCS(=O)(=O)N 62a_100000698445_100000741382 [0,2,0,0,0,0|2,0,0]=4 681 B12R0.90 COC(=O)C(C)CSCS(=O)(=O)N 62a_100000741382_100000698445 [0,2,0,0,0,0|2,0,0]=4 682 B12R0.188 COC(=O)C(CN)OCCC(=O)N 34a_100000695228_100000731001 [0,2,0,0,0,0|2,0,0]=4 683 B12R0.613 CNC(=O)C(C)(C)CSCC(=O)N 62a_100000702813_100000747473 [0,2,0,0,0,0|2,0,0]=4 684 B12R0.613 CNC(=O)C(C)(C)CSCC(=O)N 62a_100000747473_100000702813 [0,2,0,0,0,0|2,0,0]=4 685 B12R0.613 COC(=O)C(C)(C)COCC(=O)N 34a_100000709632_100000187820 [0,2,0,0,0,0|1,1,0]=4 686 B12R0.613 COC(=O)C(C)(C)COCC(=O)N 7a_100000709632_100000187820 [0,2,0,0,0,0|1,1,0]=4 687 B12R0.613 COC(=O)C(C)(C)CSCC(=O)N 62a_100000684552_100000747473 [0,2,0,0,0,0|1,0,0]=3 688 B12R0.613 COC(=O)C(C)(C)CSCC(=O)N 62a_100000747473_100000684552 [0,2,0,0,0,0|1,0,0]=3 689 B12R0.613 COC(=O)C(C)(C)CSCC(=O)[O-] 62a_100000684552_100020667443 [0,2,0,0,0,0|2,0,0]=4 690 B12R0.613 COC(=O)C(C)(C)CSCC(=O)[O-] 62a_100020667443_100000684552 [0,2,0,0,0,0|2,0,0]=4 691 B12R0.613 COC(=O)C(F)(F)CSCC(=O)N 62a_100000747473_100010295740 [0,2,0,0,0,0|1,0,0]=3 692 B12R0.613 COC(=O)C(F)(F)CSCC(=O)N 62a_100010295740_100000747473 [0,2,0,0,0,0|1,0,0]=3 693 B12R0.613 COC(=O)C(F)(F)CSCC(=O)[O-] 62a_100010295740_100020667443 [0,2,0,0,0,0|2,0,0]=4 694 B12R0.613 COC(=O)C(F)(F)CSCC(=O)[O-] 62a_100020667443_100010295740 [0,2,0,0,0,0|2,0,0]=4 695 B12R0.317 CC(C)(CSC(F)C(=O)N)C(=O)N 62a_100009813875_200009895572 [0,2,0,0,0,0|2,0,0]=4 696 B12R0.317 CC(C)(CSC(F)C(=O)N)C(=O)N 62a_200009895572_100009813875 [0,2,0,0,0,0|2,0,0]=4 697 B12R0.317 CC(C)(OC[C@H](N)C(=O)N)C(=O)N 34a_100000729942_100000702505 [0,2,0,0,0,0|1,1,0]=4 698 B12R0.317 CC(SCC(C)(C)C(=O)N)C(=O)N 62a_100000702099_200009895572 [0,2,0,0,0,0|2,0,0]=4 699 B12R0.317 CC(SCC(C)(C)C(=O)N)C(=O)N 62a_200009895572_100000702099 [0,2,0,0,0,0|2,0,0]=4 700 B12R0.668 CCC(NCC(C)C(=O)O)C(=O)N 269956a_100000749485_200011216081 [0,2,0,0,0,0|2,0,0]=4 701 B12R0.668 CCC(NCC(F)C(=O)O)C(=O)N 269956a_100000084737_200011216081 [0,2,0,0,0,0|2,0,0]=4 702 B12R0.668 CCC(OC[C@H](N)C(=O)N)C(=O)N 34a_100000729942_100000750255 [0,2,0,0,0,0|1,1,0]=4 703 B10R1.127 NC(=O)CSCC1COC1 62a_100000747473_100010264016 [1,0,0,1,0,0|1,0,1]=4 704 B10R1.127 NC(=O)CSCC1COC1 62a_100010264016_100000747473 [1,0,0,1,0,0|1,0,1]=4 705 B10R1.350 CC1(CO1)CSCC(=O)N 62a_100000747473_100000760498 [1,0,0,1,0,0|1,0,1]=4 706 B10R1.350 CC1(CO1)CSCC(=O)N 62a_100000760498_100000747473 [1,0,0,1,0,0|1,0,1]=4 707 B10R1.113 CC(=O)C1CSCC(=O)N1 1458a_100000045068_200000210301 [1,0,0,1,0,0|1,0,0]=3 708 B10R1.113 CC(=O)[C@H]1CCCC(=O)N1 1458a_100000705292_200000210301 [1,0,0,1,0,0|2,0,0]=4 709 B10R1.113 [13CH3]C(=O)C1CSCC(=O)N1 1458a_100000045068_200025704644 [1,0,0,1,0,0|1,0,0]=3 710 B10R1.113 [13CH3]C(=O)[C@H]1CCCC(=O)N1 1458a_100000705292_200025704644 [1,0,0,1,0,0|2,0,0]=4 711 B10R1.82 NC(=O)CSC1CC(=O)C1 62a_100009894365_100000747473 [1,0,0,1,0,0|1,0,0]=3 712 B10R1.82 O=C([O-])CSC1CC(=O)C1 62a_100009894365_100020667443 [1,0,0,1,0,0|2,0,0]=4 713 B10R1.126 NC(=O)CSCCC1CO1 62a_100000732470_100000747473 [1,0,0,1,0,0|1,0,1]=4 714 B10R1.126 NC(=O)CSCCC1CO1 62a_100000747473_100000732470 [1,0,0,1,0,0|1,0,1]=4 715 B12R1.105 NC(=O)CNC[C@H]1COC(=O)N1 2230a_100000711301_100015307671 [0,0,0,1,0,1|2,0,0]=4 716 B12R1.105 NC(=O)CSCC1=CC(=O)OC1 62a_100000716558_100000747473 [0,0,0,1,0,1|1,0,1]=4 717 B12R1.105 NC(=O)CSCC1=CC(=O)OC1 62a_100000747473_100000716558 [0,0,0,1,0,1|1,0,1]=4 718 B12R1.105 NC(=O)CSCC1CNC(=O)O1 62a_100000181169_100000747473 [0,0,0,1,0,1|2,0,0]=4 719 B12R1.105 NC(=O)CSCC1CNC(=O)O1 62a_100000747473_100000181169 [0,0,0,1,0,1|2,0,0]=4 720 B12R1.105 NC(=O)CSCC1COC(=O)O1 62a_100000073702_100000747473 [0,0,0,1,0,1|1,0,0]=3 721 B12R1.105 NC(=O)CSCC1COC(=O)O1 62a_100000747473_100000073702 [0,0,0,1,0,1|1,0,0]=3 722 B12R1.105 NC(=O)CSC[C@@H]1CCC(=O)N1 62a_100000747473_100015189358 [0,0,0,1,0,1|2,0,0]=4 723 B12R1.105 NC(=O)CSC[C@@H]1CCC(=O)N1 62a_100015189358_100000747473 [0,0,0,1,0,1|2,0,0]=4 724 B12R1.105 NC(=O)CSC[C@H]1COC(=O)N1 62a_100000747473_100015307671 [0,0,0,1,0,1|1,0,0]=3 725 B12R1.105 NC(=O)CSC[C@H]1COC(=O)N1 62a_100015307671_100000747473 [0,0,0,1,0,1|1,0,0]=3 726 B12R1.105 O=C([O-])CSCC1COC(=O)O1 62a_100000073702_100020667443 [0,0,0,1,0,1|2,0,0]=4 727 B12R1.105 O=C([O-])CSCC1COC(=O)O1 62a_100020667443_100000073702 [0,0,0,1,0,1|2,0,0]=4 728 B12R1.105 O=C([O-])CSC[C@H]1COC(=O)N1 62a_100015307671_100020667443 [0,0,0,1,0,1|2,0,0]=4 729 B12R1.105 O=C([O-])CSC[C@H]1COC(=O)N1 62a_100020667443_100015307671 [0,0,0,1,0,1|2,0,0]=4 730 B12R1.1394 NC(=O)CN1CC(C1)CC(=O)O 269956a_100016993960_100000187820 [0,0,0,1,0,1|2,0,0]=4 731 B12R1.110 CC1=CC(OC1=O)SCC(=O)N 62a_100000747473_200009893386 [0,0,0,1,0,1|1,0,1]=4 732 B12R1.110 CC1=CC(OC1=O)SCC(=O)N 62a_200009893386_100000747473 [0,0,0,1,0,1|1,0,1]=4 733 B12R1.229 NC(=O)CSCCC1CCC1=O 62a_100000747473_200016118888 [0,0,0,1,0,1|2,0,0]=4 734 B12R1.229 NC(=O)CSCCC1CCC1=O 62a_200016118888_100000747473 [0,0,0,1,0,1|2,0,0]=4 735 B12R1.1344 NC(=O)CN[C@H]1C[C@H](C1)C(=O)O 269956a_100000738708_100000187820 [0,0,0,1,0,1|2,0,0]=4 736 B12R1.1663 COC(=O)C1CN(C1)CC(=O)N 269982a_100015188540_100000187820 [0,1,0,1,0,0|2,0,0]=4 737 B12R1.3582 NC(=O)CNCC1(CC1)C(=O)O 269956a_100000703410_100000187820 [0,1,0,1,0,0|2,0,0]=4 738 B8R0.9 C=CC(C)SCC(=O)N 62a_100011215867_100000747473 [1,0,0,0,1,0|2,0,0]=4 739 B8R0.9 CC(CO)SCC(=O)N 62a_100012180447_100000747473 [1,0,0,0,1,0|1,0,1]=4 740 B8R0.9 C[C@H](CO)SCC(=O)N 62a_100000747473_100016084084 [1,0,0,0,1,0|1,0,1]=4 741 B8R0.9 C[C@H](CO)SCC(=O)N 62a_100016084084_100000747473 [1,0,0,0,1,0|1,0,1]=4 742 B10R0.6 O=CCNCC(O)CC(=O)O 269956a_100011218706_200015260668 [1,0,0,0,0,1|2,0,0]=4 743 B10R0.97 C=C(C)CCSCCC(=O)N 62a_100000730704_100000744528 [1,0,0,0,0,1|2,0,0]=4 744 B10R0.97 C=C(C)CCSCCC(=O)N 62a_100000744528_100000730704 [1,0,0,0,0,1|2,0,0]=4 745 B10R0.97 CC(=CCCSCC(=O)N)C 62a_100000747473_100011217483 [1,0,0,0,0,1|2,0,0]=4 746 B10R0.97 CC(=CCCSCC(=O)N)C 62a_100011217483_100000747473 [1,0,0,0,0,1|2,0,0]=4 747 B10R0.97 CC(=O)CCCCCC(=O)N 1458a_100000070787_100009817443 [1,0,0,0,0,1|2,0,0]=4 748 B10R0.97 CC(=O)CCCNCC(=O)O 269956a_100016091260_100011215641 [1,0,0,0,0,1|2,0,0]=4 749 B10R0.97 CC(=O)CCCOCC(=O)N 34a_100000759063_100000187820 [1,0,0,0,0,1|1,1,0]=4 750 B10R0.97 CC(=O)CCCOCC(=O)N 7a_100000759063_100000187820 [1,0,0,0,0,1|1,1,0]=4 751 B10R0.97 CC(=O)CCCSCC(=O)N 62a_100000747473_100011215641 [1,0,0,0,0,1|1,0,0]=3 752 B10R0.97 CC(=O)CCCSCC(=O)N 62a_100011215641_100000747473 [1,0,0,0,0,1|1,0,0]=3 753 B10R0.97 CC(=O)CCCSCC(=O)[O-] 62a_100011215641_100020667443 [1,0,0,0,0,1|2,0,0]=4 754 B10R0.97 CC(=O)CCCSCC(=O)[O-] 62a_100020667443_100011215641 [1,0,0,0,0,1|2,0,0]=4 755 B10R0.97 CC(=O)CCOCCC(=O)N 34a_100000759926_100000731001 [1,0,0,0,0,1|1,1,0]=4 756 B10R0.97 CC(=O)CCOCCC(=O)N 7a_100000757172_100000053229 [1,0,0,0,0,1|1,1,0]=4 757 B10R0.97 CC(=O)CCOCCC(=O)N 7a_100000759926_100000744528 [1,0,0,0,0,1|1,1,0]=4 758 B10R0.97 CC(=O)CCSCCC(=O)C 62a_100000053229_100000053229 [1,0,0,0,0,1|2,0,0]=4 759 B10R0.97 CC(=O)CCSCCC(=O)N 62a_100000053229_100000744528 [1,0,0,0,0,1|1,0,0]=3 760 B10R0.97 CC(=O)CCSCCC(=O)N 62a_100000744528_100000053229 [1,0,0,0,0,1|1,0,0]=3 761 B10R0.97 CC(=O)CCSCOC(=O)C 62a_100000053229_100000076356 [1,0,0,0,0,1|2,0,0]=4 762 B10R0.97 CC(=O)CCSCOC(=O)C 62a_100000076356_100000053229 [1,0,0,0,0,1|2,0,0]=4 763 B10R0.97 CC(=O)COCCCC(=O)N 34a_100000211253_100102525003 [1,0,0,0,0,1|2,0,0]=4 764 B10R0.97 CC(=O)NCCCCC(=O)N 11a_100000696515_100015343762 [1,0,0,0,0,1|2,0,0]=4 765 B10R0.97 CC(=O)NCCCCC(=O)N 1626a_100000696515_100015343762 [1,0,0,0,0,1|2,0,0]=4 766 B10R0.97 CC(=O)NCCCCC(=O)N 240690a_100000696515_100015343762 [1,0,0,0,0,1|2,0,0]=4 767 B10R0.97 CC(=O)NCCCCC(=O)N 527a_100000696515_100103153847 [1,0,0,0,0,1|2,0,0]=4 768 B10R0.97 CC(=O)NCCNCC(=O)N 2230a_100000209853_100000747473 [1,0,0,0,0,1|2,0,0]=4 769 B10R0.97 CC(=O)NCCNCC(=O)N 2230a_100000711301_100000189650 [1,0,0,0,0,1|2,0,0]=4 770 B10R0.97 CC(=O)NCCOCC(=O)N 34a_100000158858_100000187820 [1,0,0,0,0,1|1,1,0]=4 771 B10R0.97 CC(=O)NCCSCC(=O)N 62a_100000189650_100000747473 [1,0,0,0,0,1|1,0,0]=3 772 B10R0.97 CC(=O)NCCSCC(=O)N 62a_100000747473_100000189650 [1,0,0,0,0,1|1,0,0]=3 773 B10R0.97 CC(=O)NCCSCC(=O)[O-] 62a_100000189650_100020667443 [1,0,0,0,0,1|2,0,0]=4 774 B10R0.97 CC(=O)NCCSCC(=O)[O-] 62a_100020667443_100000189650 [1,0,0,0,0,1|2,0,0]=4 775 B10R0.97 CC(=O)OCCSCC(=O)N 62a_100000747473_100009814007 [1,0,0,0,0,1|1,0,0]=3 776 B10R0.97 CC(=O)OCCSCC(=O)N 62a_100009814007_100000747473 [1,0,0,0,0,1|1,0,0]=3 777 B10R0.97 CC(=O)OCCSCC(=O)[O-] 62a_100009814007_100020667443 [1,0,0,0,0,1|2,0,0]=4 778 B10R0.97 CC(=O)OCCSCC(=O)[O-] 62a_100020667443_100009814007 [1,0,0,0,0,1|2,0,0]=4 779 B10R0.97 CC(=O)OCSCCC(=O)N 62a_100000076356_100000744528 [1,0,0,0,0,1|2,0,0]=4 780 B10R0.97 CC(=O)OCSCCC(=O)N 62a_100000744528_100000076356 [1,0,0,0,0,1|2,0,0]=4 781 B10R0.97 CC(O)CCCSCC(=O)N 62a_100000747473_200000718107 [1,0,0,0,0,1|1,0,1]=4 782 B10R0.97 CC(O)CCCSCC(=O)N 62a_200000718107_100000747473 [1,0,0,0,0,1|1,0,1]=4 783 B10R0.97 CC(O)CCSCCC(=O)N 62a_100000744528_100012276601 [1,0,0,0,0,1|1,0,1]=4 784 B10R0.97 CC(O)CCSCCC(=O)N 62a_100012276601_100000744528 [1,0,0,0,0,1|1,0,1]=4 785 B10R0.97 NC(=O)CCCNCC(=O)N 34a_100000739312_100000187820 [1,0,0,0,0,1|2,0,0]=4 786 B10R0.97 NC(=O)CCCNCC(=O)O 269956a_100016091260_100102525003 [1,0,0,0,0,1|1,0,0]=3 787 B10R0.97 NC(=O)CCCNCC(=O)[O-] 34a_100000739312_100020667443 [1,0,0,0,0,1|1,0,1]=4 788 B10R0.97 NC(=O)CCCSCC(=O)N 62a_100000747473_100102525003 [1,0,0,0,0,1|1,0,0]=3 789 B10R0.97 NC(=O)CCCSCC(=O)N 62a_100102525003_100000747473 [1,0,0,0,0,1|1,0,0]=3 790 B10R0.97 NC(=O)CCCSCC(=O)[O-] 62a_100020667443_100102525003 [1,0,0,0,0,1|1,0,1]=4 791 B10R0.97 NC(=O)CCCSCC(=O)[O-] 62a_100102525003_100020667443 [1,0,0,0,0,1|1,0,1]=4 792 B10R0.97 NC(=O)CCNOCC(=O)O 269956a_100000106656_100000744528 [1,0,0,0,0,1|2,0,0]=4 793 B10R0.97 NC(=O)CCOCCC(=O)N 34a_100000757172_100000731001 [1,0,0,0,0,1|1,1,0]=4 794 B10R0.97 NC(=O)CCOCCC(=O)N 7a_100000757172_100000744528 [1,0,0,0,0,1|1,1,0]=4 795 B10R0.97 NC(=O)CCSCCC(=O)N 62a_100000744528_100000744528 [1,0,0,0,0,1|1,0,0]=3 796 B10R0.97 NC(=O)CNCCNC(=O)N 2230a_100000711301_200000034859 [1,0,0,0,0,1|2,0,0]=4 797 B10R0.97 NC(=O)CNCCNC(=O)N 34a_100020590234_100000187820 [1,0,0,0,0,1|2,0,0]=4 798 B10R0.97 NC(=O)COCCNC(=O)N 34a_100000181757_100000187820 [1,0,0,0,0,1|1,1,0]=4 799 B10R0.97 NC(=O)COCCOC(=O)N 7a_100000766696_100000187820 [1,0,0,0,0,1|1,1,0]=4 800 B10R0.97 NC(=O)CSCCC=C(F)F 62a_100000747473_200009816681 [1,0,0,0,0,1|2,0,0]=4 801 B10R0.97 NC(=O)CSCCC=C(F)F 62a_200009816681_100000747473 [1,0,0,0,0,1|2,0,0]=4 802 B10R0.97 NC(=O)CSCCNC(=O)N 62a_100000747473_200000034859 [1,0,0,0,0,1|1,0,0]=3 803 B10R0.97 NC(=O)CSCCNC(=O)N 62a_200000034859_100000747473 [1,0,0,0,0,1|1,0,0]=3 804 B10R0.97 NC(=O)CSCCOC(=O)N 62a_100000747473_200011214921 [1,0,0,0,0,1|1,0,0]=3 805 B10R0.97 NC(=O)CSCCOC(=O)N 62a_200011214921_100000747473 [1,0,0,0,0,1|1,0,0]=3 806 B10R0.97 NC(=O)NCCNCC(=O)O 269956a_100016091260_200000034859 [1,0,0,0,0,1|2,0,0]=4 807 B10R0.97 NC(=O)NCCSCC(=O)[O-] 62a_100020667443_200000034859 [1,0,0,0,0,1|2,0,0]=4 808 B10R0.97 NC(=O)NCCSCC(=O)[O-] 62a_200000034859_100020667443 [1,0,0,0,0,1|2,0,0]=4 809 B10R0.97 NC(=O)OCCSCC(=O)[O-] 62a_100020667443_200011214921 [1,0,0,0,0,1|2,0,0]=4 810 B10R0.97 NC(=O)OCCSCC(=O)[O-] 62a_200011214921_100020667443 [1,0,0,0,0,1|2,0,0]=4 811 B12R0.44 CC(=O)OCC(O)CSCC(=O)N 62a_100000747473_200000139349 [0,0,0,0,0,2|2,0,0]=4 812 B12R0.44 CC(=O)OCC(O)CSCC(=O)N 62a_200000139349_100000747473 [0,0,0,0,0,2|2,0,0]=4 813 B12R0.44 CC(=O)SCC(C)CSCC(=O)N 62a_100000747473_200000116872 [0,0,0,0,0,2|2,0,0]=4 814 B12R0.44 CC(=O)SCC(C)CSCC(=O)N 62a_200000116872_100000747473 [0,0,0,0,0,2|2,0,0]=4 815 B12R0.270 NC(=O)CCNCC(O)CC(=O)O 269956a_100011218706_100000744528 [0,0,0,0,0,2|2,0,0]=4 816 B12R0.42 CC(CNCCCC(=O)N)C(=O)O 269956a_100000749485_100102525003 [0,0,0,0,0,2|2,0,0]=4 817 B12R0.42 CC(CNCCNC(=O)N)C(=O)O 269956a_100000749485_200000034859 [0,0,0,0,0,2|2,0,0]=4 818 B12R0.42 C[C@H](NCCOCC(=O)N)C(=O)O 269956a_100000743915_100000076697 [0,0,0,0,0,2|1,1,0]=4 819 B12R0.42 NC(=O)CCCNCC(F)C(=O)O 269956a_100000084737_100102525003 [0,0,0,0,0,2|2,0,0]=4 820 B12R0.42 NC(=O)CCCOC[C@H](N)C(=O)N 34a_100000729942_100102525003 [0,0,0,0,0,2|1,1,0]=4 821 B12R0.42 NC(=O)NCCNCC(F)C(=O)O 269956a_100000084737_200000034859 [0,0,0,0,0,2|2,0,0]=4 822 B12R0.42 NC(=O)OCCOC[C@H](N)C(=O)N 34a_100000729942_200011214921 [0,0,0,0,0,2|1,1,0]=4