0 B9R0.47 C#CCCN[C@@H](C)C(=O)O 269956a_100000743915_100000688953 [0,0,0,0,0,0|3,0,1]=4 1 B9R0.47 C#CCNCC(C)C(=O)O 269956a_100000749485_100000184674 [0,0,0,0,0,0|3,0,1]=4 2 B9R0.47 C#CCNCC(F)C(=O)O 269956a_100000084737_100000184674 [0,0,0,0,0,0|3,0,1]=4 3 B9R0.47 C#CCOC[C@H](N)C(=O)N 34a_100000729942_100000184674 [0,0,0,0,0,0|3,0,1]=4 4 B9R0.47 C=CCCN[C@@H](C)C(=O)O 269956a_100000743915_100000754431 [0,0,0,0,0,0|3,0,1]=4 5 B9R0.47 C=CCNCC(C)C(=O)O 269956a_100000749485_100000210623 [0,0,0,0,0,0|3,0,1]=4 6 B9R0.47 C=CCNCC(F)C(=O)O 269956a_100000084737_100000210623 [0,0,0,0,0,0|3,0,1]=4 7 B9R0.47 C=CCOC[C@H](N)C(=O)N 34a_100000729942_100015514636 [0,0,0,0,0,0|3,0,1]=4 8 B9R0.47 CC(=O)C(=O)COCCN 34a_100000210304_100011261029 [0,0,0,0,0,0|3,0,1]=4 9 B9R0.47 CC(=O)C(C)COCCF 34a_100000032740_100011217306 [0,0,0,0,0,0|4,0,0]=4 10 B9R0.47 CC(=O)C(C)COCCF 7a_100000032740_100011217306 [0,0,0,0,0,0|4,0,0]=4 11 B9R0.47 CC(=O)C(C)COCCO 34a_100000032740_100000211926 [0,0,0,0,0,0|4,0,0]=4 12 B9R0.47 CC(=O)C(C)COCCO 7a_100000032740_100000211926 [0,0,0,0,0,0|4,0,0]=4 13 B9R0.47 CC(=O)C(C)NCCCF 2230a_100015189416_100009814033 [0,0,0,0,0,0|4,0,0]=4 14 B9R0.47 CC(=O)C(C)OCCCF 34a_100000212229_100011934791 [0,0,0,0,0,0|4,0,0]=4 15 B9R0.47 CC(=O)C(C)OCCCO 34a_100000212229_100000230001 [0,0,0,0,0,0|4,0,0]=4 16 B9R0.47 CC(=O)C(C)SCCCF 62a_100009814033_100011934791 [0,0,0,0,0,0|4,0,0]=4 17 B9R0.47 CC(=O)C(C)SCCCF 62a_100011934791_100009814033 [0,0,0,0,0,0|4,0,0]=4 18 B9R0.47 CC(=O)C(C)SCCCO 62a_100009814033_100011215043 [0,0,0,0,0,0|4,0,0]=4 19 B9R0.47 CC(=O)C(C)SCCCO 62a_100011215043_100009814033 [0,0,0,0,0,0|4,0,0]=4 20 B9R0.47 CC(=O)N(C)CCCCO 240690a_100000717598_100015343762 [0,0,0,0,0,0|4,0,0]=4 21 B9R0.47 CC(CNCC#N)C(=O)O 269956a_100000749485_100011215382 [0,0,0,0,0,0|2,0,2]=4 22 B9R0.47 CC(CNCC=O)C(=O)O 269956a_100000749485_200015260668 [0,0,0,0,0,0|3,0,1]=4 23 B9R0.47 CC(CNCCF)C(=O)O 269956a_100000749485_100011217306 [0,0,0,0,0,0|3,0,0]=3 24 B9R0.47 CC(CNCCO)C(=O)O 269956a_100000749485_100000211926 [0,0,0,0,0,0|3,0,0]=3 25 B9R0.47 CC(NCCCF)C(=O)N 2230a_100015189416_100000702099 [0,0,0,0,0,0|4,0,0]=4 26 B9R0.47 CC(NCCCF)C(=O)N 34a_100015189416_100000702099 [0,0,0,0,0,0|4,0,0]=4 27 B9R0.47 CC(OCCCBr)C(=O)N 34a_100011217188_100000702099 [0,0,0,0,0,0|4,0,0]=4 28 B9R0.47 CC(OCCCCl)C(=O)N 34a_100000230001_100000702099 [0,0,0,0,0,0|4,0,0]=4 29 B9R0.47 CC(OCCCF)C(=O)N 34a_100000759539_100000702099 [0,0,0,0,0,0|4,0,0]=4 30 B9R0.47 CC(OCCCN)C(=O)N 34a_100000182051_100000702099 [0,0,0,0,0,0|3,0,0]=3 31 B9R0.47 CC(OCCON)C(=O)N 34a_100000700252_100000702099 [0,0,0,0,0,0|4,0,0]=4 32 B9R0.47 CC(SCCCF)C(=O)N 62a_100000702099_100011934791 [0,0,0,0,0,0|4,0,0]=4 33 B9R0.47 CC(SCCCF)C(=O)N 62a_100011934791_100000702099 [0,0,0,0,0,0|4,0,0]=4 34 B9R0.47 CC(SCCCO)C(=O)N 62a_100000702099_100011215043 [0,0,0,0,0,0|4,0,0]=4 35 B9R0.47 CC(SCCCO)C(=O)N 62a_100011215043_100000702099 [0,0,0,0,0,0|4,0,0]=4 36 B9R0.47 CCCCCC(C)C(=O)C 1458a_100000070787_200011218191 [0,0,0,0,0,0|3,0,0]=3 37 B9R0.47 CCCCCC(C)C(=O)C 1458a_100011215998_200000210301 [0,0,0,0,0,0|3,0,0]=3 38 B9R0.47 CCCCCC(C)C(=O)[13CH3] 1458a_100011215998_200025704644 [0,0,0,0,0,0|3,0,0]=3 39 B9R0.47 CCCCCN(C)C(=O)C 11a_100000223495_100015343762 [0,0,0,0,0,0|4,0,0]=4 40 B9R0.47 CCCCCN(C)C(=O)C 1626a_100000223495_100015343762 [0,0,0,0,0,0|4,0,0]=4 41 B9R0.47 CCCCCN(C)C(=O)C 240690a_100000223495_100015343762 [0,0,0,0,0,0|4,0,0]=4 42 B9R0.47 CCCCCN(C)C(=O)C 527a_100000223495_100103153847 [0,0,0,0,0,0|4,0,0]=4 43 B9R0.47 CCCCNC(C)C(=O)C 2230a_100000102301_100009814033 [0,0,0,0,0,0|4,0,0]=4 44 B9R0.47 CCCCNC(C)C(=O)C 7a_106832991798_100000179758 [0,0,0,0,0,0|4,0,0]=4 45 B9R0.47 CCCCNC(C)C(=O)N 2230a_100000102301_100000702099 [0,0,0,0,0,0|4,0,0]=4 46 B9R0.47 CCCCNC(C)C(=O)N 7a_106832991798_100000702099 [0,0,0,0,0,0|4,0,0]=4 47 B9R0.47 CCCCNC(F)C(=O)N 2230a_100000102301_100009813875 [0,0,0,0,0,0|4,0,0]=4 48 B9R0.47 CCCCNC(F)C(=O)N 7a_106832991798_100009813875 [0,0,0,0,0,0|4,0,0]=4 49 B9R0.47 CCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210211 [0,0,0,0,0,0|3,0,0]=3 50 B9R0.47 CCCCN[C@H](C)C(=O)N 2230a_100000119354_100000210211 [0,0,0,0,0,0|4,0,0]=4 51 B9R0.47 CCCCN[C@H](C)C(=O)N 34a_100000119354_100000210210 [0,0,0,0,0,0|4,0,0]=4 52 B9R0.47 CCCCOC(C)C(=O)C 34a_100000212229_100000210210 [0,0,0,0,0,0|4,0,0]=4 53 B9R0.47 CCCCOC(C)C(=O)C 7a_100000210227_100000179758 [0,0,0,0,0,0|4,0,0]=4 54 B9R0.47 CCCCOC(C)C(=O)N 34a_100000210227_100000702099 [0,0,0,0,0,0|4,0,0]=4 55 B9R0.47 CCCCOC(C)C(=O)N 7a_100000210227_100000702099 [0,0,0,0,0,0|4,0,0]=4 56 B9R0.47 CCCCOC(F)C(=O)N 34a_100000210227_100009813875 [0,0,0,0,0,0|4,0,0]=4 57 B9R0.47 CCCCOC(F)C(=O)N 7a_100000210227_100009813875 [0,0,0,0,0,0|4,0,0]=4 58 B9R0.47 CCCCOC(F)C(=O)[O-] 34a_100000210227_100020610796 [0,0,0,0,0,0|3,0,1]=4 59 B9R0.47 CCCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210211 [0,0,0,0,0,0|3,0,1]=4 60 B9R0.47 CCCCO[C@H](C)C(=O)N 34a_100000731257_100000210210 [0,0,0,0,0,0|4,0,0]=4 61 B9R0.47 CCCCO[C@H](C)C(=O)N 7a_100000731257_100000210211 [0,0,0,0,0,0|4,0,0]=4 62 B9R0.47 CCCCSC(C)C(=O)C 1458a_100000191163_200000210301 [0,0,0,0,0,0|4,0,0]=4 63 B9R0.47 CCCCSC(C)C(=O)C 62a_100000210211_100009814033 [0,0,0,0,0,0|4,0,0]=4 64 B9R0.47 CCCCSC(C)C(=O)C 62a_100009814033_100000210210 [0,0,0,0,0,0|4,0,0]=4 65 B9R0.47 CCCCSC(C)C(=O)N 62a_100000210211_100000702099 [0,0,0,0,0,0|4,0,0]=4 66 B9R0.47 CCCCSC(C)C(=O)N 62a_100000702099_100000210210 [0,0,0,0,0,0|4,0,0]=4 67 B9R0.47 CCCCSC(C)C(=O)[13CH3] 1458a_100000191163_200025704644 [0,0,0,0,0,0|4,0,0]=4 68 B9R0.47 CCCCSC(F)C(=O)N 62a_100000210211_100009813875 [0,0,0,0,0,0|4,0,0]=4 69 B9R0.47 CCCCSC(F)C(=O)N 62a_100009813875_100000210210 [0,0,0,0,0,0|4,0,0]=4 70 B9R0.47 CCCCSC(F)C(=O)[O-] 62a_100000210211_100020610796 [0,0,0,0,0,0|3,0,1]=4 71 B9R0.47 CCCCSC(F)C(=O)[O-] 62a_100020610796_100000210210 [0,0,0,0,0,0|3,0,1]=4 72 B9R0.47 CCCNCC(C)C(=O)O 269956a_100000749485_100000210207 [0,0,0,0,0,0|3,0,0]=3 73 B9R0.47 CCCNCC(F)C(=O)O 269956a_100000084737_100000210207 [0,0,0,0,0,0|3,0,0]=3 74 B9R0.47 CCCOCC(C)C(=O)C 34a_100000032740_100000210303 [0,0,0,0,0,0|4,0,0]=4 75 B9R0.47 CCCOCC(C)C(=O)C 7a_100000032740_100000210303 [0,0,0,0,0,0|4,0,0]=4 76 B9R0.47 CCCOC[C@H](N)C(=O)N 34a_100000729942_100000210303 [0,0,0,0,0,0|3,0,0]=3 77 B9R0.47 CCOCN[C@@H](C)C(=O)O 269956a_100000743915_100000739092 [0,0,0,0,0,0|4,0,0]=4 78 B9R0.47 COCCN[C@@H](C)C(=O)O 269956a_100000743915_100000233755 [0,0,0,0,0,0|4,0,0]=4 79 B9R0.47 COCNCC(C)C(=O)O 269956a_100000749485_100000766300 [0,0,0,0,0,0|4,0,0]=4 80 B9R0.47 COCNCC(F)C(=O)O 269956a_100000084737_100000766300 [0,0,0,0,0,0|4,0,0]=4 81 B9R0.47 CSCCN[C@@H](C)C(=O)O 269956a_100000743915_100000212216 [0,0,0,0,0,0|4,0,0]=4 82 B9R0.47 CSCNCC(C)C(=O)O 269956a_100000749485_100011218213 [0,0,0,0,0,0|4,0,0]=4 83 B9R0.47 CSCNCC(F)C(=O)O 269956a_100000084737_100011218213 [0,0,0,0,0,0|4,0,0]=4 84 B9R0.47 CSCOC[C@H](N)C(=O)N 34a_100000729942_100011218213 [0,0,0,0,0,0|4,0,0]=4 85 B9R0.47 C[C@@H](NCCCF)C(=O)N 2230a_100000119354_100011934791 [0,0,0,0,0,0|4,0,0]=4 86 B9R0.47 C[C@@H](NCCCF)C(=O)N 34a_100000119354_100011934791 [0,0,0,0,0,0|4,0,0]=4 87 B9R0.47 C[C@@H](NCCCO)C(=O)N 2230a_100000119354_100000230001 [0,0,0,0,0,0|4,0,0]=4 88 B9R0.47 C[C@@H](NCCCO)C(=O)N 34a_100000119354_100000230001 [0,0,0,0,0,0|4,0,0]=4 89 B9R0.47 C[C@@H](OCCCF)C(=O)N 34a_100000731257_100011934791 [0,0,0,0,0,0|4,0,0]=4 90 B9R0.47 C[C@@H](OCCCF)C(=O)N 7a_100000731257_100011934791 [0,0,0,0,0,0|4,0,0]=4 91 B9R0.47 C[C@@H](OCCCO)C(=O)N 34a_100000731257_100000230001 [0,0,0,0,0,0|4,0,0]=4 92 B9R0.47 C[C@@H](OCCCO)C(=O)N 7a_100000731257_100011215043 [0,0,0,0,0,0|4,0,0]=4 93 B9R0.47 C[C@H](NCCC#N)C(=O)O 269956a_100000743915_100011215226 [0,0,0,0,0,0|2,0,2]=4 94 B9R0.47 C[C@H](NCCCF)C(=O)O 269956a_100000743915_100011934791 [0,0,0,0,0,0|3,0,0]=3 95 B9R0.47 C[C@H](NCCCO)C(=O)O 269956a_100000743915_100011215043 [0,0,0,0,0,0|3,0,0]=3 96 B9R0.47 C[C@H](OCCCF)C(=O)[O-] 7a_217856618621_100011934791 [0,0,0,0,0,0|3,0,1]=4 97 B9R0.47 C[C@H](OCCCO)C(=O)[O-] 7a_217856618621_100011215043 [0,0,0,0,0,0|3,0,1]=4 98 B9R0.47 N#CCNCC(F)C(=O)O 269956a_100000084737_100011215382 [0,0,0,0,0,0|2,0,2]=4 99 B9R0.47 NC(=O)C(F)NCCCF 2230a_100015189416_100009813875 [0,0,0,0,0,0|4,0,0]=4 100 B9R0.47 NC(=O)C(F)NCCCF 34a_100015189416_100009813875 [0,0,0,0,0,0|4,0,0]=4 101 B9R0.47 NC(=O)C(F)OCCCBr 34a_100011217188_100009813875 [0,0,0,0,0,0|4,0,0]=4 102 B9R0.47 NC(=O)C(F)OCCCCl 34a_100000230001_100009813875 [0,0,0,0,0,0|4,0,0]=4 103 B9R0.47 NC(=O)C(F)OCCCF 34a_100000759539_100009813875 [0,0,0,0,0,0|4,0,0]=4 104 B9R0.47 NC(=O)C(F)SCCCF 62a_100009813875_100011934791 [0,0,0,0,0,0|4,0,0]=4 105 B9R0.47 NC(=O)C(F)SCCCF 62a_100011934791_100009813875 [0,0,0,0,0,0|4,0,0]=4 106 B9R0.47 NC(=O)C(F)SCCCO 62a_100009813875_100011215043 [0,0,0,0,0,0|4,0,0]=4 107 B9R0.47 NC(=O)C(F)SCCCO 62a_100011215043_100009813875 [0,0,0,0,0,0|4,0,0]=4 108 B9R0.47 NC(=O)[C@@H](N)COCC=O 34a_100000729942_200009817547 [0,0,0,0,0,0|3,0,1]=4 109 B9R0.47 NC(=O)[C@@H](N)COCCF 34a_100000729942_100011217306 [0,0,0,0,0,0|3,0,0]=3 110 B9R0.47 NC(=O)[C@@H](N)COCCO 34a_100000729942_100000211926 [0,0,0,0,0,0|3,0,0]=3 111 B9R0.47 NCCCOC(F)C(=O)N 34a_100000182051_100009813875 [0,0,0,0,0,0|3,0,0]=3 112 B9R0.47 NCCCOC(F)C(=O)[O-] 34a_100000182051_100020610796 [0,0,0,0,0,0|2,0,1]=3 113 B9R0.47 NOCCOC(F)C(=O)N 34a_100000700252_100009813875 [0,0,0,0,0,0|4,0,0]=4 114 B9R0.47 NOCCOC(F)C(=O)[O-] 34a_100000700252_100020610796 [0,0,0,0,0,0|3,0,1]=4 115 B9R0.47 O=C(O)C(F)CNCCF 269956a_100000084737_100011217306 [0,0,0,0,0,0|3,0,0]=3 116 B9R0.47 O=C(O)C(F)CNCCO 269956a_100000084737_100000211926 [0,0,0,0,0,0|3,0,0]=3 117 B9R0.47 O=C([O-])C(F)NCCCF 34a_100015189416_100020610796 [0,0,0,0,0,0|3,0,1]=4 118 B9R0.47 O=C([O-])C(F)OCCCBr 34a_100011217188_100020610796 [0,0,0,0,0,0|3,0,1]=4 119 B9R0.47 O=C([O-])C(F)OCCCCl 34a_100000230001_100020610796 [0,0,0,0,0,0|3,0,1]=4 120 B9R0.47 O=C([O-])C(F)OCCCF 34a_100000759539_100020610796 [0,0,0,0,0,0|3,0,1]=4 121 B9R0.47 O=C([O-])C(F)SCCCF 62a_100011934791_100020610796 [0,0,0,0,0,0|3,0,1]=4 122 B9R0.47 O=C([O-])C(F)SCCCF 62a_100020610796_100011934791 [0,0,0,0,0,0|3,0,1]=4 123 B9R0.47 O=C([O-])C(F)SCCCO 62a_100011215043_100020610796 [0,0,0,0,0,0|3,0,1]=4 124 B9R0.47 O=C([O-])C(F)SCCCO 62a_100020610796_100011215043 [0,0,0,0,0,0|3,0,1]=4 125 B9R0.47 O=CCNCC(F)C(=O)O 269956a_100000084737_200015260668 [0,0,0,0,0,0|3,0,1]=4 126 B8R0.6 C=CC(O)COCCN 34a_100000210304_100000730141 [1,0,0,0,0,0|3,0,0]=4 127 B8R0.6 C=C[C@H](N)COCCC 34a_100016989147_100000210303 [1,0,0,0,0,0|3,0,0]=4 128 B8R0.6 C=C[C@H](N)COCCF 34a_100016989147_100011217306 [1,0,0,0,0,0|3,0,0]=4 129 B8R0.6 C=C[C@H](N)COCCO 34a_100016989147_100000211926 [1,0,0,0,0,0|3,0,0]=4 130 B8R0.6 CC(CO)OCCCN 34a_100000182051_100012180447 [1,0,0,0,0,0|2,0,1]=4 131 B8R0.6 C[C@@H](CO)COCCN 34a_100000210304_100000059175 [1,0,0,0,0,0|2,0,1]=4 132 B8R0.6 NCCOCC(O)CO 34a_100000210304_100011219619 [1,0,0,0,0,0|2,0,1]=4 133 B8R0.6 NCCOC[C@@H](O)CO 34a_100000210304_100009815848 [1,0,0,0,0,0|2,0,1]=4 134 B8R0.7 C#CCCCCC(=O)C 1458a_100000070787_100010269958 [1,0,0,0,0,0|2,0,1]=4 135 B8R0.7 C#CCCCCC(=O)C 1458a_100000696528_200000210301 [1,0,0,0,0,0|2,0,1]=4 136 B8R0.7 C#CCCCCC(=O)[13CH3] 1458a_100000696528_200025704644 [1,0,0,0,0,0|2,0,1]=4 137 B8R0.7 C#CCCNCC(=O)O 269956a_100016091260_100000688953 [1,0,0,0,0,0|2,0,1]=4 138 B8R0.7 C=C(C)CCOCCN 34a_100000210304_100000730704 [1,0,0,0,0,0|3,0,0]=4 139 B8R0.7 C=C(C)COCCCN 34a_100000182051_100000748629 [1,0,0,0,0,0|3,0,0]=4 140 B8R0.7 C=C(F)COCCCN 34a_100000182051_100009893438 [1,0,0,0,0,0|3,0,0]=4 141 B8R0.7 C=CCCCCC(=O)C 1458a_100000070787_100011215482 [1,0,0,0,0,0|2,0,1]=4 142 B8R0.7 C=CCCCCC(=O)C 1458a_100011215552_200000210301 [1,0,0,0,0,0|2,0,1]=4 143 B8R0.7 C=CCCCCC(=O)[13CH3] 1458a_100011215552_200025704644 [1,0,0,0,0,0|2,0,1]=4 144 B8R0.7 C=CCCNCC(=O)O 269956a_100016091260_100000754431 [1,0,0,0,0,0|2,0,1]=4 145 B8R0.7 CC(=O)CCCCC#N 1458a_100000070787_100000211819 [1,0,0,0,0,0|1,0,2]=4 146 B8R0.7 CC(=O)CCCCCF 1458a_100000070787_100000729378 [1,0,0,0,0,0|2,0,0]=3 147 B8R0.7 CC(=O)CCCCCO 1458a_100000070787_100000746330 [1,0,0,0,0,0|2,0,0]=3 148 B8R0.7 CC(=O)CCCCCO 1458a_100102619762_200000210301 [1,0,0,0,0,0|2,0,0]=3 149 B8R0.7 CC(=O)CCCCS[13CH3] 62a_100000735457_200025704644 [1,0,0,0,0,0|3,0,0]=4 150 B8R0.7 CC(=O)CCCCS[13CH3] 62a_200025704644_100000735457 [1,0,0,0,0,0|3,0,0]=4 151 B8R0.7 CC(=O)CCCOCF 34a_100000759063_100015361967 [1,0,0,0,0,0|3,0,0]=4 152 B8R0.7 CC(=O)CCCOCF 7a_100000759063_100015361967 [1,0,0,0,0,0|3,0,0]=4 153 B8R0.7 CC(=O)CCCSCF 62a_100011215641_100015361967 [1,0,0,0,0,0|3,0,0]=4 154 B8R0.7 CC(=O)CCCSCF 62a_100015361967_100011215641 [1,0,0,0,0,0|3,0,0]=4 155 B8R0.7 CC(=O)CCOCCF 34a_100000759926_100011217306 [1,0,0,0,0,0|3,0,0]=4 156 B8R0.7 CC(=O)CCOCCF 7a_100000759926_100011217306 [1,0,0,0,0,0|3,0,0]=4 157 B8R0.7 CC(=O)CCOCCO 1458a_100000070787_100011215305 [1,0,0,0,0,0|3,0,0]=4 158 B8R0.7 CC(=O)CCOCCO 1458a_100011229844_200000210301 [1,0,0,0,0,0|3,0,0]=4 159 B8R0.7 CC(=O)CCOCCO 34a_100000759926_100000211926 [1,0,0,0,0,0|3,0,0]=4 160 B8R0.7 CC(=O)CCOCCO 7a_100000759926_100000211926 [1,0,0,0,0,0|3,0,0]=4 161 B8R0.7 CC(=O)CCSCCF 62a_100000053229_100011217306 [1,0,0,0,0,0|3,0,0]=4 162 B8R0.7 CC(=O)CCSCCF 62a_100011217306_100000053229 [1,0,0,0,0,0|3,0,0]=4 163 B8R0.7 CC(=O)CCSCCO 62a_100000053229_100000211926 [1,0,0,0,0,0|3,0,0]=4 164 B8R0.7 CC(=O)CCSCCO 62a_100000211926_100000053229 [1,0,0,0,0,0|3,0,0]=4 165 B8R0.7 CC(=O)COCCCF 34a_100000211253_100011934791 [1,0,0,0,0,0|3,0,0]=4 166 B8R0.7 CC(=O)COCCCO 34a_100000211253_100000230001 [1,0,0,0,0,0|3,0,0]=4 167 B8R0.7 CC(=O)NCCCCO 240690a_100000750430_100015343762 [1,0,0,0,0,0|3,0,0]=4 168 B8R0.7 CC(=O)NCCCCO 527a_100000750430_100103153847 [1,0,0,0,0,0|3,0,0]=4 169 B8R0.7 CC(=O)OCOCCN 34a_100000210304_100009813279 [1,0,0,0,0,0|3,0,0]=4 170 B8R0.7 CC(O)CCOCCN 34a_100000210304_100012276601 [1,0,0,0,0,0|2,0,1]=4 171 B8R0.7 CC(O)COCCCN 34a_100000182051_100011218427 [1,0,0,0,0,0|2,0,1]=4 172 B8R0.7 CCCCCCC(=O)C 1458a_100000070787_100000210757 [1,0,0,0,0,0|2,0,0]=3 173 B8R0.7 CCCCCCC(=O)C 1458a_100102632555_200000210301 [1,0,0,0,0,0|2,0,0]=3 174 B8R0.7 CCCCCCC(=O)[13CH3] 1458a_100102632555_200025704644 [1,0,0,0,0,0|2,0,0]=3 175 B8R0.7 CCCCCNC(=O)C 11a_100000209983_100015343762 [1,0,0,0,0,0|3,0,0]=4 176 B8R0.7 CCCCCNC(=O)C 1626a_100000209983_100015343762 [1,0,0,0,0,0|3,0,0]=4 177 B8R0.7 CCCCCNC(=O)C 240690a_100000209983_100015343762 [1,0,0,0,0,0|3,0,0]=4 178 B8R0.7 CCCCCNC(=O)C 527a_100000209983_100103153847 [1,0,0,0,0,0|3,0,0]=4 179 B8R0.7 CCCCNCC(=O)N 2230a_100000102301_100000747473 [1,0,0,0,0,0|3,0,0]=4 180 B8R0.7 CCCCNCC(=O)N 2230a_100000711301_100000210211 [1,0,0,0,0,0|3,0,0]=4 181 B8R0.7 CCCCNCC(=O)N 7a_106832991798_100000187820 [1,0,0,0,0,0|3,0,0]=4 182 B8R0.7 CCCCNCC(=O)O 269956a_100016091260_100000210211 [1,0,0,0,0,0|2,0,0]=3 183 B8R0.7 CCCCOCC(=O)C 1458a_100000070787_100011995733 [1,0,0,0,0,0|3,0,0]=4 184 B8R0.7 CCCCOCC(=O)C 1458a_100000757543_200000210301 [1,0,0,0,0,0|3,0,0]=4 185 B8R0.7 CCCCOCC(=O)C 34a_100000211253_100000210210 [1,0,0,0,0,0|3,0,0]=4 186 B8R0.7 CCCCOCC(=O)N 34a_100000210227_100000187820 [1,0,0,0,0,0|3,0,0]=4 187 B8R0.7 CCCCOCC(=O)N 7a_100000210227_100000187820 [1,0,0,0,0,0|3,0,0]=4 188 B8R0.7 CCCCOCC(=O)[13CH3] 1458a_100000757543_200025704644 [1,0,0,0,0,0|3,0,0]=4 189 B8R0.7 CCCCOCC(=O)[O-] 34a_100000210227_100020667443 [1,0,0,0,0,0|2,0,1]=4 190 B8R0.7 CCCCSCC(=O)C 1458a_100000191162_200000210301 [1,0,0,0,0,0|3,0,0]=4 191 B8R0.7 CCCCSCC(=O)N 62a_100000210211_100000747473 [1,0,0,0,0,0|3,0,0]=4 192 B8R0.7 CCCCSCC(=O)N 62a_100000747473_100000210210 [1,0,0,0,0,0|3,0,0]=4 193 B8R0.7 CCCCSCC(=O)[13CH3] 1458a_100000191162_200025704644 [1,0,0,0,0,0|3,0,0]=4 194 B8R0.7 CCCCSCC(=O)[O-] 62a_100000210211_100020667443 [1,0,0,0,0,0|2,0,1]=4 195 B8R0.7 CCCCSCC(=O)[O-] 62a_100020667443_100000210210 [1,0,0,0,0,0|2,0,1]=4 196 B8R0.7 CCCNOCC(=O)O 269956a_100000106656_100000210207 [1,0,0,0,0,0|3,0,0]=4 197 B8R0.7 CCCOCCC(=O)C 1458a_100000070787_100011215938 [1,0,0,0,0,0|3,0,0]=4 198 B8R0.7 CCCOCCC(=O)C 34a_100000759926_100000210303 [1,0,0,0,0,0|3,0,0]=4 199 B8R0.7 CCCOCCC(=O)C 7a_100000759926_100000210303 [1,0,0,0,0,0|3,0,0]=4 200 B8R0.7 CCCOCCC(=O)N 34a_100000210258_100000731001 [1,0,0,0,0,0|3,0,0]=4 201 B8R0.7 CCCOCCC(=O)N 34a_100000757172_100000210303 [1,0,0,0,0,0|3,0,0]=4 202 B8R0.7 CCCOCCC(=O)N 7a_100000757172_100000210303 [1,0,0,0,0,0|3,0,0]=4 203 B8R0.7 CCCSCCC(=O)C 62a_100000053229_100000210303 [1,0,0,0,0,0|3,0,0]=4 204 B8R0.7 CCCSCCC(=O)C 62a_100000210303_100000053229 [1,0,0,0,0,0|3,0,0]=4 205 B8R0.7 CCCSCCC(=O)N 62a_100000210303_100000744528 [1,0,0,0,0,0|3,0,0]=4 206 B8R0.7 CCCSCCC(=O)N 62a_100000744528_100000210303 [1,0,0,0,0,0|3,0,0]=4 207 B8R0.7 CCNCCCC(=O)N 34a_100000739312_100000210202 [1,0,0,0,0,0|3,0,0]=4 208 B8R0.7 CCOCCCC(=O)C 1458a_100000070787_100012232248 [1,0,0,0,0,0|3,0,0]=4 209 B8R0.7 CCOCCCC(=O)C 34a_100000759063_100000210202 [1,0,0,0,0,0|3,0,0]=4 210 B8R0.7 CCOCCCC(=O)C 34a_100121572206_100000685027 [1,0,0,0,0,0|3,0,0]=4 211 B8R0.7 CCOCCCC(=O)C 7a_100000759063_100000210202 [1,0,0,0,0,0|3,0,0]=4 212 B8R0.7 CCOCCCC(=O)N 34a_100121572206_100102525003 [1,0,0,0,0,0|3,0,0]=4 213 B8R0.7 CCOCNCC(=O)O 269956a_100016091260_100000739092 [1,0,0,0,0,0|3,0,0]=4 214 B8R0.7 CCSCCCC(=O)C 62a_100000210202_100011215641 [1,0,0,0,0,0|3,0,0]=4 215 B8R0.7 CCSCCCC(=O)C 62a_100011215641_100000210202 [1,0,0,0,0,0|3,0,0]=4 216 B8R0.7 CCSCCCC(=O)N 62a_100000210202_100102525003 [1,0,0,0,0,0|3,0,0]=4 217 B8R0.7 CCSCCCC(=O)N 62a_100102525003_100000210202 [1,0,0,0,0,0|3,0,0]=4 218 B8R0.7 CNCCCCC(=O)C 34a_100102657272_100009817362 [1,0,0,0,0,0|3,0,0]=4 219 B8R0.7 CNCCCCC(=O)C 7a_106832991635_100000735457 [1,0,0,0,0,0|3,0,0]=4 220 B8R0.7 CNCCCCC(=O)N 34a_100000696515_200000210301 [1,0,0,0,0,0|3,0,0]=4 221 B8R0.7 CNCCOCC(=O)O 269956a_100000700818_200000210301 [1,0,0,0,0,0|3,0,0]=4 222 B8R0.7 COCCCCC(=O)C 1458a_100000070787_100000755781 [1,0,0,0,0,0|3,0,0]=4 223 B8R0.7 COCCCCC(=O)C 34a_100138415774_100009817362 [1,0,0,0,0,0|3,0,0]=4 224 B8R0.7 COCCCCC(=O)N 34a_100012022536_200000210301 [1,0,0,0,0,0|3,0,0]=4 225 B8R0.7 COCCCCC(=O)N 7a_100012022536_200000210301 [1,0,0,0,0,0|3,0,0]=4 226 B8R0.7 COCCNCC(=O)O 269956a_100016091260_100000233755 [1,0,0,0,0,0|3,0,0]=4 227 B8R0.7 CSCCCCC(=O)C 62a_100000735457_200000210301 [1,0,0,0,0,0|3,0,0]=4 228 B8R0.7 CSCCCCC(=O)C 62a_200000210301_100000735457 [1,0,0,0,0,0|3,0,0]=4 229 B8R0.7 CSCCNCC(=O)O 269956a_100016091260_100000212216 [1,0,0,0,0,0|3,0,0]=4 230 B8R0.7 C[C@@H](O)COCCCN 34a_100000182051_100009817552 [1,0,0,0,0,0|2,0,1]=4 231 B8R0.7 N#CCCNCC(=O)O 269956a_100016091260_100011215226 [1,0,0,0,0,0|1,0,2]=4 232 B8R0.7 NC(=O)CCCNCF 34a_100000739312_100015361967 [1,0,0,0,0,0|3,0,0]=4 233 B8R0.7 NC(=O)CCCSCF 62a_100015361967_100102525003 [1,0,0,0,0,0|3,0,0]=4 234 B8R0.7 NC(=O)CCCSCF 62a_100102525003_100015361967 [1,0,0,0,0,0|3,0,0]=4 235 B8R0.7 NC(=O)CCNCCF 34a_100000724931_100000731001 [1,0,0,0,0,0|3,0,0]=4 236 B8R0.7 NC(=O)CCNCCO 2230a_100016997473_100000744528 [1,0,0,0,0,0|3,0,0]=4 237 B8R0.7 NC(=O)CCNCCO 34a_100016990907_100000731001 [1,0,0,0,0,0|3,0,0]=4 238 B8R0.7 NC(=O)CCOCCBr 34a_100000211926_100000731001 [1,0,0,0,0,0|3,0,0]=4 239 B8R0.7 NC(=O)CCOCCF 34a_100000757172_100011217306 [1,0,0,0,0,0|3,0,0]=4 240 B8R0.7 NC(=O)CCOCCF 7a_100000757172_100011217306 [1,0,0,0,0,0|3,0,0]=4 241 B8R0.7 NC(=O)CCOCCO 34a_100000757172_100000211926 [1,0,0,0,0,0|3,0,0]=4 242 B8R0.7 NC(=O)CCOCCO 7a_100000757172_100000211926 [1,0,0,0,0,0|3,0,0]=4 243 B8R0.7 NC(=O)CCSCCF 62a_100000744528_100011217306 [1,0,0,0,0,0|3,0,0]=4 244 B8R0.7 NC(=O)CCSCCF 62a_100011217306_100000744528 [1,0,0,0,0,0|3,0,0]=4 245 B8R0.7 NC(=O)CCSCCO 62a_100000211926_100000744528 [1,0,0,0,0,0|3,0,0]=4 246 B8R0.7 NC(=O)CCSCCO 62a_100000744528_100000211926 [1,0,0,0,0,0|3,0,0]=4 247 B8R0.7 NC(=O)CNCCCF 2230a_100000711301_100011934791 [1,0,0,0,0,0|3,0,0]=4 248 B8R0.7 NC(=O)CNCCCF 2230a_100015189416_100000747473 [1,0,0,0,0,0|3,0,0]=4 249 B8R0.7 NC(=O)CNCCCF 34a_100015189416_100000187820 [1,0,0,0,0,0|3,0,0]=4 250 B8R0.7 NC(=O)CNCCCO 2230a_100000711301_100000230001 [1,0,0,0,0,0|3,0,0]=4 251 B8R0.7 NC(=O)COCCCBr 34a_100011217188_100000187820 [1,0,0,0,0,0|3,0,0]=4 252 B8R0.7 NC(=O)COCCCCl 34a_100000230001_100000187820 [1,0,0,0,0,0|3,0,0]=4 253 B8R0.7 NC(=O)COCCCF 34a_100000759539_100000187820 [1,0,0,0,0,0|3,0,0]=4 254 B8R0.7 NC(=O)CSCCCF 62a_100000747473_100011934791 [1,0,0,0,0,0|3,0,0]=4 255 B8R0.7 NC(=O)CSCCCF 62a_100011934791_100000747473 [1,0,0,0,0,0|3,0,0]=4 256 B8R0.7 NC(=O)CSCCCO 62a_100000747473_100011215043 [1,0,0,0,0,0|3,0,0]=4 257 B8R0.7 NC(=O)CSCCCO 62a_100011215043_100000747473 [1,0,0,0,0,0|3,0,0]=4 258 B8R0.7 NCCCOCC(=O)N 34a_100000182051_100000187820 [1,0,0,0,0,0|2,0,0]=3 259 B8R0.7 NCCCOCC(=O)[O-] 34a_100000182051_100020667443 [1,0,0,0,0,0|1,0,1]=3 260 B8R0.7 NCCCOC[N+](=O)[O-] 34a_100000182051_100000761209 [1,0,0,0,0,0|2,0,1]=4 261 B8R0.7 NCCOCCC(=O)N 34a_100000210304_100000731001 [1,0,0,0,0,0|2,0,0]=3 262 B8R0.7 NOCCOCC(=O)N 34a_100000700252_100000187820 [1,0,0,0,0,0|3,0,0]=4 263 B8R0.7 NOCCOCC(=O)[O-] 34a_100000700252_100020667443 [1,0,0,0,0,0|2,0,1]=4 264 B8R0.7 O=C(O)CNCCCF 269956a_100016091260_100011934791 [1,0,0,0,0,0|2,0,0]=3 265 B8R0.7 O=C(O)CNCCCO 269956a_100016091260_100011215043 [1,0,0,0,0,0|2,0,0]=3 266 B8R0.7 O=C(O)CONCCF 269956a_100000106656_100011217306 [1,0,0,0,0,0|3,0,0]=4 267 B8R0.7 O=C(O)CONCCO 269956a_100000106656_100000211926 [1,0,0,0,0,0|3,0,0]=4 268 B8R0.7 O=C([O-])CNCCCF 34a_100015189416_100020667443 [1,0,0,0,0,0|2,0,1]=4 269 B8R0.7 O=C([O-])COCCCBr 34a_100011217188_100020667443 [1,0,0,0,0,0|2,0,1]=4 270 B8R0.7 O=C([O-])COCCCCl 34a_100000230001_100020667443 [1,0,0,0,0,0|2,0,1]=4 271 B8R0.7 O=C([O-])COCCCF 34a_100000759539_100020667443 [1,0,0,0,0,0|2,0,1]=4 272 B8R0.7 O=C([O-])CSCCCF 62a_100011934791_100020667443 [1,0,0,0,0,0|2,0,1]=4 273 B8R0.7 O=C([O-])CSCCCF 62a_100020667443_100011934791 [1,0,0,0,0,0|2,0,1]=4 274 B8R0.7 O=C([O-])CSCCCO 62a_100011215043_100020667443 [1,0,0,0,0,0|2,0,1]=4 275 B8R0.7 O=C([O-])CSCCCO 62a_100020667443_100011215043 [1,0,0,0,0,0|2,0,1]=4 276 B8R0.7 [13CH3]C(=O)CCCCCO 1458a_100102619762_200025704644 [1,0,0,0,0,0|2,0,0]=3 277 B8R0.7 [13CH3]C(=O)CCOCCO 1458a_100011229844_200025704644 [1,0,0,0,0,0|3,0,0]=4 278 B8R0.7 [13CH3]NCCCCC(=O)N 34a_100000696515_200025704644 [1,0,0,0,0,0|3,0,0]=4 279 B8R0.7 [13CH3]NCCOCC(=O)O 269956a_100000700818_200025704644 [1,0,0,0,0,0|3,0,0]=4 280 B8R0.7 [13CH3]OCCCCC(=O)N 34a_100012022536_200025704644 [1,0,0,0,0,0|3,0,0]=4 281 B8R0.7 [13CH3]OCCCCC(=O)N 7a_100012022536_200025704644 [1,0,0,0,0,0|3,0,0]=4 282 B8R0.8 CC(CNCF)C(=O)O 269956a_100000749485_100015361967 [1,0,0,0,0,0|3,0,0]=4 283 B8R0.8 CC(OCCN)C(=O)N 34a_100000210304_100000702099 [1,0,0,0,0,0|3,0,0]=4 284 B8R0.8 CCCCC(C)C(=O)C 1458a_100000070787_200011215066 [1,0,0,0,0,0|2,0,0]=3 285 B8R0.8 CCCCC(C)C(=O)C 1458a_100000725509_200000210301 [1,0,0,0,0,0|2,0,0]=3 286 B8R0.8 CCCCC(C)C(=O)[13CH3] 1458a_100000725509_200025704644 [1,0,0,0,0,0|2,0,0]=3 287 B8R0.8 CCCCC(O)C(=O)C 1458a_100000720857_200000210301 [1,0,0,0,0,0|2,0,0]=3 288 B8R0.8 CCCCC(O)C(=O)[13CH3] 1458a_100000720857_200025704644 [1,0,0,0,0,0|2,0,0]=3 289 B8R0.8 CCCCN(C)C(=O)C 11a_100000207549_100015343762 [1,0,0,0,0,0|3,0,0]=4 290 B8R0.8 CCCCN(C)C(=O)C 1626a_100000207549_100015343762 [1,0,0,0,0,0|3,0,0]=4 291 B8R0.8 CCCCN(C)C(=O)C 240690a_100000207549_100015343762 [1,0,0,0,0,0|3,0,0]=4 292 B8R0.8 CCCCN(C)C(=O)C 527a_100000207549_100103153847 [1,0,0,0,0,0|3,0,0]=4 293 B8R0.8 CCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210207 [1,0,0,0,0,0|2,0,0]=3 294 B8R0.8 CCCN[C@H](C)C(=O)N 2230a_100000119354_100000210303 [1,0,0,0,0,0|3,0,0]=4 295 B8R0.8 CCCN[C@H](C)C(=O)N 34a_100000119354_100000210303 [1,0,0,0,0,0|3,0,0]=4 296 B8R0.8 CCCOC(C)C(=O)C 34a_100000212229_100000210303 [1,0,0,0,0,0|3,0,0]=4 297 B8R0.8 CCCOC(C)C(=O)N 34a_100000210258_100000702099 [1,0,0,0,0,0|3,0,0]=4 298 B8R0.8 CCCOC(F)C(=O)N 34a_100000210258_100009813875 [1,0,0,0,0,0|3,0,0]=4 299 B8R0.8 CCCOC(F)C(=O)[O-] 34a_100000210258_100020610796 [1,0,0,0,0,0|2,0,1]=4 300 B8R0.8 CCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210303 [1,0,0,0,0,0|2,0,1]=4 301 B8R0.8 CCCO[C@H](C)C(=O)N 34a_100000731257_100000210303 [1,0,0,0,0,0|3,0,0]=4 302 B8R0.8 CCCO[C@H](C)C(=O)N 7a_100000731257_100000210303 [1,0,0,0,0,0|3,0,0]=4 303 B8R0.8 CCCSC(C)C(=O)C 62a_100000210303_100009814033 [1,0,0,0,0,0|3,0,0]=4 304 B8R0.8 CCCSC(C)C(=O)C 62a_100009814033_100000210303 [1,0,0,0,0,0|3,0,0]=4 305 B8R0.8 CCCSC(C)C(=O)N 62a_100000210303_100000702099 [1,0,0,0,0,0|3,0,0]=4 306 B8R0.8 CCCSC(C)C(=O)N 62a_100000702099_100000210303 [1,0,0,0,0,0|3,0,0]=4 307 B8R0.8 CCCSC(F)C(=O)N 62a_100000210303_100009813875 [1,0,0,0,0,0|3,0,0]=4 308 B8R0.8 CCCSC(F)C(=O)N 62a_100009813875_100000210303 [1,0,0,0,0,0|3,0,0]=4 309 B8R0.8 CCCSC(F)C(=O)[O-] 62a_100000210303_100020610796 [1,0,0,0,0,0|2,0,1]=4 310 B8R0.8 CCCSC(F)C(=O)[O-] 62a_100020610796_100000210303 [1,0,0,0,0,0|2,0,1]=4 311 B8R0.8 CCNCC(C)C(=O)O 269956a_100000749485_100000210202 [1,0,0,0,0,0|2,0,0]=3 312 B8R0.8 CCNCC(F)C(=O)O 269956a_100000084737_100000210202 [1,0,0,0,0,0|2,0,0]=3 313 B8R0.8 CCOCC(C)C(=O)C 34a_100000032740_100000210202 [1,0,0,0,0,0|3,0,0]=4 314 B8R0.8 CCOCC(C)C(=O)C 7a_100000032740_100000210202 [1,0,0,0,0,0|3,0,0]=4 315 B8R0.8 CCOC[C@H](N)C(=O)N 34a_100000729942_100000210202 [1,0,0,0,0,0|2,0,0]=3 316 B8R0.8 COCN[C@@H](C)C(=O)O 269956a_100000743915_100000766300 [1,0,0,0,0,0|3,0,0]=4 317 B8R0.8 CSCCC(O)C(=O)C 1458a_100000685904_200000210301 [1,0,0,0,0,0|3,0,0]=4 318 B8R0.8 CSCCC(O)C(=O)[13CH3] 1458a_100000685904_200025704644 [1,0,0,0,0,0|3,0,0]=4 319 B8R0.8 CSCN[C@@H](C)C(=O)O 269956a_100000743915_100011218213 [1,0,0,0,0,0|3,0,0]=4 320 B8R0.8 C[C@H](NCCF)C(=O)O 269956a_100000743915_100011217306 [1,0,0,0,0,0|3,0,0]=4 321 B8R0.8 C[C@H](NCCO)C(=O)O 269956a_100000743915_100000211926 [1,0,0,0,0,0|3,0,0]=4 322 B8R0.8 NC(=O)[C@@H](N)COCF 34a_100000729942_100015361967 [1,0,0,0,0,0|3,0,0]=4 323 B8R0.8 NCCOC(F)C(=O)N 34a_100000210304_100009813875 [1,0,0,0,0,0|3,0,0]=4 324 B8R0.8 NCCOC(F)C(=O)[O-] 34a_100000210304_100020610796 [1,0,0,0,0,0|2,0,1]=4 325 B8R0.8 O=C(O)C(F)CNCF 269956a_100000084737_100015361967 [1,0,0,0,0,0|3,0,0]=4 326 B10R0.26 CC(CCO)N[C@@H](C)C(=O)O 269956a_100000743915_100009893172 [0,1,0,0,0,0|3,0,0]=4 327 B10R0.26 CCCC(C)N[C@@H](C)C(=O)O 269956a_100000743915_100000766640 [0,1,0,0,0,0|3,0,0]=4 328 B10R0.42 CC(C)(CNCCF)C(=O)O 269956a_100000693527_100011217306 [0,1,0,0,0,0|3,0,0]=4 329 B10R0.42 CC(C)(CNCCO)C(=O)O 269956a_100000693527_100000211926 [0,1,0,0,0,0|3,0,0]=4 330 B10R0.42 CC(C)(COCCN)C(=O)N 34a_100000210304_200009895572 [0,1,0,0,0,0|3,0,0]=4 331 B10R0.42 CC(C)(OCCCN)C(=O)N 34a_100000182051_100000702505 [0,1,0,0,0,0|3,0,0]=4 332 B10R0.42 CCCNCC(C)(C)C(=O)O 269956a_100000693527_100000210207 [0,1,0,0,0,0|3,0,0]=4 333 B10R0.42 CCCNCC(F)(F)C(=O)O 269956a_100000734215_100000210207 [0,1,0,0,0,0|3,0,0]=4 334 B10R0.42 NCCCOC(F)(F)C(=O)[O-] 34a_100000182051_100020612412 [0,1,0,0,0,0|2,0,1]=4 335 B10R0.42 O=C(O)C(F)(F)CNCCF 269956a_100000734215_100011217306 [0,1,0,0,0,0|3,0,0]=4 336 B10R0.42 O=C(O)C(F)(F)CNCCO 269956a_100000734215_100000211926 [0,1,0,0,0,0|3,0,0]=4 337 B10R0.75 C#CCCCN[C@@H](C)C(=O)O 269956a_100000743915_100011215417 [0,1,0,0,0,0|2,0,1]=4 338 B10R0.75 C#CCCNCC(C)C(=O)O 269956a_100000749485_100000688953 [0,1,0,0,0,0|2,0,1]=4 339 B10R0.75 C#CCCNCC(F)C(=O)O 269956a_100000084737_100000688953 [0,1,0,0,0,0|2,0,1]=4 340 B10R0.75 C#CCCOC[C@H](N)C(=O)N 34a_100000729942_100000688953 [0,1,0,0,0,0|2,0,1]=4 341 B10R0.75 C=CCCCN[C@@H](C)C(=O)O 269956a_100000743915_100011713584 [0,1,0,0,0,0|2,0,1]=4 342 B10R0.75 C=CCCNCC(C)C(=O)O 269956a_100000749485_100000754431 [0,1,0,0,0,0|2,0,1]=4 343 B10R0.75 C=CCCNCC(F)C(=O)O 269956a_100000084737_100000754431 [0,1,0,0,0,0|2,0,1]=4 344 B10R0.75 C=CCCOC[C@H](N)C(=O)N 34a_100000729942_100000754431 [0,1,0,0,0,0|2,0,1]=4 345 B10R0.75 CC(=O)C(=O)COCCCN 34a_100000182051_100011261029 [0,1,0,0,0,0|2,0,1]=4 346 B10R0.75 CC(=O)C(C)COCCCF 34a_100000032740_100011934791 [0,1,0,0,0,0|3,0,0]=4 347 B10R0.75 CC(=O)C(C)COCCCF 7a_100000032740_100011934791 [0,1,0,0,0,0|3,0,0]=4 348 B10R0.75 CC(=O)C(C)COCCCO 34a_100000032740_100000230001 [0,1,0,0,0,0|3,0,0]=4 349 B10R0.75 CC(=O)C(C)COCCCO 7a_100000032740_100011215043 [0,1,0,0,0,0|3,0,0]=4 350 B10R0.75 CC(=O)C(C)NCCCCO 2230a_100000750430_100009814033 [0,1,0,0,0,0|3,0,0]=4 351 B10R0.75 CC(=O)C(C)OCCCCCl 7a_100000210776_100000179758 [0,1,0,0,0,0|3,0,0]=4 352 B10R0.75 CC(=O)C(C)OCCCCF 34a_100000212229_100000729493 [0,1,0,0,0,0|3,0,0]=4 353 B10R0.75 CC(=O)C(C)OCCCCF 7a_100011995726_100000179758 [0,1,0,0,0,0|3,0,0]=4 354 B10R0.75 CC(=O)C(C)OCCCCO 34a_100000212229_100011216708 [0,1,0,0,0,0|3,0,0]=4 355 B10R0.75 CC(=O)C(C)SCCCCF 62a_100000729493_100009814033 [0,1,0,0,0,0|3,0,0]=4 356 B10R0.75 CC(=O)C(C)SCCCCF 62a_100009814033_100000729493 [0,1,0,0,0,0|3,0,0]=4 357 B10R0.75 CC(=O)C(C)SCCCCO 62a_100000210776_100009814033 [0,1,0,0,0,0|3,0,0]=4 358 B10R0.75 CC(=O)C(C)SCCCCO 62a_100009814033_100000210776 [0,1,0,0,0,0|3,0,0]=4 359 B10R0.75 CC(CNCCC#N)C(=O)O 269956a_100000749485_100011215226 [0,1,0,0,0,0|1,0,2]=4 360 B10R0.75 CC(CNCCCF)C(=O)O 269956a_100000749485_100011934791 [0,1,0,0,0,0|2,0,0]=3 361 B10R0.75 CC(CNCCCO)C(=O)O 269956a_100000749485_100011215043 [0,1,0,0,0,0|2,0,0]=3 362 B10R0.75 CC(NCCCCO)C(=O)N 2230a_100000750430_100000702099 [0,1,0,0,0,0|3,0,0]=4 363 B10R0.75 CC(NCCCCO)C(=O)N 34a_100000750430_100000702099 [0,1,0,0,0,0|3,0,0]=4 364 B10R0.75 CC(OCCCCBr)C(=O)N 34a_100011216708_100000702099 [0,1,0,0,0,0|3,0,0]=4 365 B10R0.75 CC(OCCCCCl)C(=O)N 34a_100000210776_100000702099 [0,1,0,0,0,0|3,0,0]=4 366 B10R0.75 CC(OCCCCCl)C(=O)N 7a_100000210776_100000702099 [0,1,0,0,0,0|3,0,0]=4 367 B10R0.75 CC(OCCCCF)C(=O)N 34a_100011995726_100000702099 [0,1,0,0,0,0|3,0,0]=4 368 B10R0.75 CC(OCCCCF)C(=O)N 7a_100011995726_100000702099 [0,1,0,0,0,0|3,0,0]=4 369 B10R0.75 CC(OCCCCI)C(=O)N 34a_200012148704_100000702099 [0,1,0,0,0,0|3,0,0]=4 370 B10R0.75 CC(OCCCCN)C(=O)N 34a_100000750430_100000702099 [0,1,0,0,0,0|2,0,0]=3 371 B10R0.75 CC(SCCCCF)C(=O)N 62a_100000702099_100000729493 [0,1,0,0,0,0|3,0,0]=4 372 B10R0.75 CC(SCCCCF)C(=O)N 62a_100000729493_100000702099 [0,1,0,0,0,0|3,0,0]=4 373 B10R0.75 CC(SCCCCO)C(=O)N 62a_100000210776_100000702099 [0,1,0,0,0,0|3,0,0]=4 374 B10R0.75 CC(SCCCCO)C(=O)N 62a_100000702099_100000210776 [0,1,0,0,0,0|3,0,0]=4 375 B10R0.75 CCCCCCC(C)C(=O)C 1458a_100000070787_100011215978 [0,1,0,0,0,0|3,0,0]=4 376 B10R0.75 CCCCCCC(O)C(=O)C 1458a_100011215828_200000210301 [0,1,0,0,0,0|3,0,0]=4 377 B10R0.75 CCCCCCC(O)C(=O)[13CH3] 1458a_100011215828_200025704644 [0,1,0,0,0,0|3,0,0]=4 378 B10R0.75 CCCCCNC(C)C(=O)C 2230a_100000209983_100009814033 [0,1,0,0,0,0|3,0,0]=4 379 B10R0.75 CCCCCNC(C)C(=O)N 2230a_100000209983_100000702099 [0,1,0,0,0,0|3,0,0]=4 380 B10R0.75 CCCCCNC(F)C(=O)N 2230a_100000209983_100009813875 [0,1,0,0,0,0|3,0,0]=4 381 B10R0.75 CCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210326 [0,1,0,0,0,0|2,0,0]=3 382 B10R0.75 CCCCCN[C@H](C)C(=O)N 2230a_100000119354_100000210326 [0,1,0,0,0,0|3,0,0]=4 383 B10R0.75 CCCCCN[C@H](C)C(=O)N 34a_100000119354_100000718602 [0,1,0,0,0,0|3,0,0]=4 384 B10R0.75 CCCCCOC(C)C(=O)C 34a_100000212229_100000718602 [0,1,0,0,0,0|3,0,0]=4 385 B10R0.75 CCCCCOC(C)C(=O)C 7a_100000210253_100000179758 [0,1,0,0,0,0|3,0,0]=4 386 B10R0.75 CCCCCOC(C)C(=O)N 34a_100000210253_100000702099 [0,1,0,0,0,0|3,0,0]=4 387 B10R0.75 CCCCCOC(C)C(=O)N 7a_100000210253_100000702099 [0,1,0,0,0,0|3,0,0]=4 388 B10R0.75 CCCCCOC(F)C(=O)N 34a_100000210253_100009813875 [0,1,0,0,0,0|3,0,0]=4 389 B10R0.75 CCCCCOC(F)C(=O)N 7a_100000210253_100009813875 [0,1,0,0,0,0|3,0,0]=4 390 B10R0.75 CCCCCOC(F)C(=O)[O-] 34a_100000210253_100020610796 [0,1,0,0,0,0|2,0,1]=4 391 B10R0.75 CCCCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210326 [0,1,0,0,0,0|2,0,1]=4 392 B10R0.75 CCCCCO[C@H](C)C(=O)N 34a_100000731257_100000718602 [0,1,0,0,0,0|3,0,0]=4 393 B10R0.75 CCCCCO[C@H](C)C(=O)N 7a_100000731257_100000210326 [0,1,0,0,0,0|3,0,0]=4 394 B10R0.75 CCCCCSC(C)C(=O)C 62a_100000210326_100009814033 [0,1,0,0,0,0|3,0,0]=4 395 B10R0.75 CCCCCSC(C)C(=O)C 62a_100009814033_100000210326 [0,1,0,0,0,0|3,0,0]=4 396 B10R0.75 CCCCCSC(C)C(=O)N 62a_100000210326_100000702099 [0,1,0,0,0,0|3,0,0]=4 397 B10R0.75 CCCCCSC(C)C(=O)N 62a_100000702099_100000210326 [0,1,0,0,0,0|3,0,0]=4 398 B10R0.75 CCCCCSC(F)C(=O)N 62a_100000210326_100009813875 [0,1,0,0,0,0|3,0,0]=4 399 B10R0.75 CCCCCSC(F)C(=O)N 62a_100009813875_100000210326 [0,1,0,0,0,0|3,0,0]=4 400 B10R0.75 CCCCCSC(F)C(=O)[O-] 62a_100000210326_100020610796 [0,1,0,0,0,0|2,0,1]=4 401 B10R0.75 CCCCCSC(F)C(=O)[O-] 62a_100020610796_100000210326 [0,1,0,0,0,0|2,0,1]=4 402 B10R0.75 CCCCNCC(C)C(=O)O 269956a_100000749485_100000210211 [0,1,0,0,0,0|2,0,0]=3 403 B10R0.75 CCCCNCC(F)C(=O)O 269956a_100000084737_100000210211 [0,1,0,0,0,0|2,0,0]=3 404 B10R0.75 CCCCOCC(C)C(=O)C 34a_100000032740_100000210210 [0,1,0,0,0,0|3,0,0]=4 405 B10R0.75 CCCCOCC(C)C(=O)C 7a_100000032740_100000210211 [0,1,0,0,0,0|3,0,0]=4 406 B10R0.75 CCCCOC[C@H](N)C(=O)N 34a_100000729942_100000210210 [0,1,0,0,0,0|2,0,0]=3 407 B10R0.75 CCOCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210147 [0,1,0,0,0,0|3,0,0]=4 408 B10R0.75 CCOCNCC(C)C(=O)O 269956a_100000749485_100000739092 [0,1,0,0,0,0|3,0,0]=4 409 B10R0.75 CCOCNCC(F)C(=O)O 269956a_100000084737_100000739092 [0,1,0,0,0,0|3,0,0]=4 410 B10R0.75 CCSCCN[C@@H](C)C(=O)O 269956a_100000743915_100000757381 [0,1,0,0,0,0|3,0,0]=4 411 B10R0.75 CNCCCOC(C)C(=O)N 34a_100000213112_100000702099 [0,1,0,0,0,0|3,0,0]=4 412 B10R0.75 CNCCCOC(F)C(=O)N 34a_100000213112_100009813875 [0,1,0,0,0,0|3,0,0]=4 413 B10R0.75 CNCCCOC(F)C(=O)[O-] 34a_100000213112_100020610796 [0,1,0,0,0,0|2,0,1]=4 414 B10R0.75 COCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000740836 [0,1,0,0,0,0|3,0,0]=4 415 B10R0.75 COCCNCC(C)C(=O)O 269956a_100000749485_100000233755 [0,1,0,0,0,0|3,0,0]=4 416 B10R0.75 COCCNCC(F)C(=O)O 269956a_100000084737_100000233755 [0,1,0,0,0,0|3,0,0]=4 417 B10R0.75 COCCOC[C@H](N)C(=O)N 34a_100000729942_100011201679 [0,1,0,0,0,0|3,0,0]=4 418 B10R0.75 CSCCNCC(C)C(=O)O 269956a_100000749485_100000212216 [0,1,0,0,0,0|3,0,0]=4 419 B10R0.75 CSCCNCC(F)C(=O)O 269956a_100000084737_100000212216 [0,1,0,0,0,0|3,0,0]=4 420 B10R0.75 CSCCOC[C@H](N)C(=O)N 34a_100000729942_100000212216 [0,1,0,0,0,0|3,0,0]=4 421 B10R0.75 C[C@@H](NCCCCF)C(=O)N 2230a_100000119354_100000729493 [0,1,0,0,0,0|3,0,0]=4 422 B10R0.75 C[C@@H](NCCCCF)C(=O)N 34a_100000119354_100000729493 [0,1,0,0,0,0|3,0,0]=4 423 B10R0.75 C[C@@H](NCCCCO)C(=O)N 2230a_100000119354_100000210776 [0,1,0,0,0,0|3,0,0]=4 424 B10R0.75 C[C@@H](NCCCCO)C(=O)N 34a_100000119354_100011216708 [0,1,0,0,0,0|3,0,0]=4 425 B10R0.75 C[C@@H](OCCCCF)C(=O)N 34a_100000731257_100000729493 [0,1,0,0,0,0|3,0,0]=4 426 B10R0.75 C[C@@H](OCCCCF)C(=O)N 7a_100000731257_100000729493 [0,1,0,0,0,0|3,0,0]=4 427 B10R0.75 C[C@@H](OCCCCO)C(=O)N 34a_100000731257_100011216708 [0,1,0,0,0,0|3,0,0]=4 428 B10R0.75 C[C@@H](OCCCCO)C(=O)N 7a_100000731257_100000210776 [0,1,0,0,0,0|3,0,0]=4 429 B10R0.75 C[C@H](NCCCC#N)C(=O)O 269956a_100000743915_100000687738 [0,1,0,0,0,0|1,0,2]=4 430 B10R0.75 C[C@H](NCCCC=O)C(=O)O 269956a_100000743915_200011292268 [0,1,0,0,0,0|2,0,1]=4 431 B10R0.75 C[C@H](NCCCCF)C(=O)O 269956a_100000743915_100000729493 [0,1,0,0,0,0|2,0,0]=3 432 B10R0.75 C[C@H](NCCCCO)C(=O)O 269956a_100000743915_100000210776 [0,1,0,0,0,0|2,0,0]=3 433 B10R0.75 C[C@H](OCCCCF)C(=O)[O-] 7a_217856618621_100000729493 [0,1,0,0,0,0|2,0,1]=4 434 B10R0.75 C[C@H](OCCCCO)C(=O)[O-] 7a_217856618621_100000210776 [0,1,0,0,0,0|2,0,1]=4 435 B10R0.75 N#CCCNCC(F)C(=O)O 269956a_100000084737_100011215226 [0,1,0,0,0,0|1,0,2]=4 436 B10R0.75 NC(=O)C(F)NCCCCO 2230a_100000750430_100009813875 [0,1,0,0,0,0|3,0,0]=4 437 B10R0.75 NC(=O)C(F)NCCCCO 34a_100000750430_100009813875 [0,1,0,0,0,0|3,0,0]=4 438 B10R0.75 NC(=O)C(F)OCCCCBr 34a_100011216708_100009813875 [0,1,0,0,0,0|3,0,0]=4 439 B10R0.75 NC(=O)C(F)OCCCCCl 34a_100000210776_100009813875 [0,1,0,0,0,0|3,0,0]=4 440 B10R0.75 NC(=O)C(F)OCCCCCl 7a_100000210776_100009813875 [0,1,0,0,0,0|3,0,0]=4 441 B10R0.75 NC(=O)C(F)OCCCCF 34a_100011995726_100009813875 [0,1,0,0,0,0|3,0,0]=4 442 B10R0.75 NC(=O)C(F)OCCCCF 7a_100011995726_100009813875 [0,1,0,0,0,0|3,0,0]=4 443 B10R0.75 NC(=O)C(F)OCCCCI 34a_200012148704_100009813875 [0,1,0,0,0,0|3,0,0]=4 444 B10R0.75 NC(=O)C(F)SCCCCF 62a_100000729493_100009813875 [0,1,0,0,0,0|3,0,0]=4 445 B10R0.75 NC(=O)C(F)SCCCCF 62a_100009813875_100000729493 [0,1,0,0,0,0|3,0,0]=4 446 B10R0.75 NC(=O)C(F)SCCCCO 62a_100000210776_100009813875 [0,1,0,0,0,0|3,0,0]=4 447 B10R0.75 NC(=O)C(F)SCCCCO 62a_100009813875_100000210776 [0,1,0,0,0,0|3,0,0]=4 448 B10R0.75 NC(=O)[C@@H](N)COCCCF 34a_100000729942_100011934791 [0,1,0,0,0,0|2,0,0]=3 449 B10R0.75 NC(=O)[C@@H](N)COCCCO 34a_100000729942_100000230001 [0,1,0,0,0,0|2,0,0]=3 450 B10R0.75 NCCCCOC(F)C(=O)N 34a_100000750430_100009813875 [0,1,0,0,0,0|2,0,0]=3 451 B10R0.75 NCCCCOC(F)C(=O)[O-] 34a_100000750430_100020610796 [0,1,0,0,0,0|1,0,1]=3 452 B10R0.75 O=C(O)C(F)CNCCCF 269956a_100000084737_100011934791 [0,1,0,0,0,0|2,0,0]=3 453 B10R0.75 O=C(O)C(F)CNCCCO 269956a_100000084737_100011215043 [0,1,0,0,0,0|2,0,0]=3 454 B10R0.75 O=C([O-])C(F)NCCCCO 34a_100000750430_100020610796 [0,1,0,0,0,0|2,0,1]=4 455 B10R0.75 O=C([O-])C(F)OCCCCBr 34a_100011216708_100020610796 [0,1,0,0,0,0|2,0,1]=4 456 B10R0.75 O=C([O-])C(F)OCCCCCl 34a_100000210776_100020610796 [0,1,0,0,0,0|2,0,1]=4 457 B10R0.75 O=C([O-])C(F)OCCCCF 34a_100011995726_100020610796 [0,1,0,0,0,0|2,0,1]=4 458 B10R0.75 O=C([O-])C(F)OCCCCI 34a_200012148704_100020610796 [0,1,0,0,0,0|2,0,1]=4 459 B10R0.75 O=C([O-])C(F)SCCCCF 62a_100000729493_100020610796 [0,1,0,0,0,0|2,0,1]=4 460 B10R0.75 O=C([O-])C(F)SCCCCF 62a_100020610796_100000729493 [0,1,0,0,0,0|2,0,1]=4 461 B10R0.75 O=C([O-])C(F)SCCCCO 62a_100000210776_100020610796 [0,1,0,0,0,0|2,0,1]=4 462 B10R0.75 O=C([O-])C(F)SCCCCO 62a_100020610796_100000210776 [0,1,0,0,0,0|2,0,1]=4 463 B10R0.81 CC(C(=O)O)N(C)CCCF 269956a_100000749554_100011934791 [0,1,0,0,0,0|3,0,0]=4 464 B10R0.81 CC(C(=O)O)N(C)CCCO 269956a_100000749554_100011215043 [0,1,0,0,0,0|3,0,0]=4 465 B10R0.81 CCCCN(C)C(C)C(=O)O 269956a_100000749554_100000210211 [0,1,0,0,0,0|3,0,0]=4 466 B10R0.81 CCCO[C@H](C)[C@H](N)C(=O)N 34a_100000003557_100000210303 [0,1,0,0,0,0|3,0,0]=4 467 B10R0.81 C[C@@H](OCCF)[C@H](N)C(=O)N 34a_100000003557_100011217306 [0,1,0,0,0,0|3,0,0]=4 468 B10R0.81 C[C@@H](OCCO)[C@H](N)C(=O)N 34a_100000003557_100000211926 [0,1,0,0,0,0|3,0,0]=4 469 B10R0.82 CC(CN)COC(C)C(=O)N 34a_100000744482_100000702099 [0,1,0,0,0,0|3,0,0]=4 470 B10R0.82 CC(CN)COC(F)C(=O)N 34a_100000744482_100009813875 [0,1,0,0,0,0|3,0,0]=4 471 B10R0.82 CC(CN)COC(F)C(=O)[O-] 34a_100000744482_100020610796 [0,1,0,0,0,0|2,0,1]=4 472 B10R0.82 CC(CN[C@H](C)CO)C(=O)O 269956a_100000749485_100016084084 [0,1,0,0,0,0|3,0,0]=4 473 B10R0.82 CC(CO)OC[C@H](N)C(=O)N 34a_100000729942_100012180447 [0,1,0,0,0,0|3,0,0]=4 474 B10R0.82 CC(OC[C@H](F)CN)C(=O)N 34a_100015665980_100000702099 [0,1,0,0,0,0|3,0,0]=4 475 B10R0.82 CCC(C)CN[C@@H](C)C(=O)O 269956a_100000743915_100000748023 [0,1,0,0,0,0|3,0,0]=4 476 B10R0.82 CCC(C)NCC(C)C(=O)O 269956a_100000749485_100000758301 [0,1,0,0,0,0|3,0,0]=4 477 B10R0.82 CCC(C)NCC(F)C(=O)O 269956a_100000084737_100000758301 [0,1,0,0,0,0|3,0,0]=4 478 B10R0.82 CCC(C)OC[C@H](N)C(=O)N 34a_100000729942_100011215416 [0,1,0,0,0,0|3,0,0]=4 479 B10R0.82 CCC(O)CN[C@@H](C)C(=O)O 269956a_100000743915_100011218378 [0,1,0,0,0,0|3,0,0]=4 480 B10R0.82 CC[C@H](C)CN[C@@H](C)C(=O)O 269956a_100000743915_100009816398 [0,1,0,0,0,0|3,0,0]=4 481 B10R0.82 C[C@@H](CO)CN[C@@H](C)C(=O)O 269956a_100000743915_100000059175 [0,1,0,0,0,0|3,0,0]=4 482 B10R0.82 C[C@H](CO)NCC(F)C(=O)O 269956a_100000084737_100016084084 [0,1,0,0,0,0|3,0,0]=4 483 B10R0.82 C[C@H](NCC(O)CO)C(=O)O 269956a_100000743915_100011219619 [0,1,0,0,0,0|3,0,0]=4 484 B10R0.82 C[C@H](NC[C@@H](O)CF)C(=O)O 269956a_100000743915_100015614560 [0,1,0,0,0,0|3,0,0]=4 485 B10R0.82 C[C@H](NC[C@@H](O)CO)C(=O)O 269956a_100000743915_100009815848 [0,1,0,0,0,0|3,0,0]=4 486 B10R0.82 NC[C@@H](F)COC(F)C(=O)N 34a_100015665980_100009813875 [0,1,0,0,0,0|3,0,0]=4 487 B10R0.82 NC[C@@H](F)COC(F)C(=O)[O-] 34a_100015665980_100020610796 [0,1,0,0,0,0|2,0,1]=4 488 B10R0.83 C#CC(=O)C(C)CCCCC 1458a_100000211873_200011218191 [0,1,0,0,0,0|3,0,0]=4 489 B10R0.83 C#CCOC[C@@H](N)C(=O)OC 34a_100000003586_100000184674 [0,1,0,0,0,0|2,0,1]=4 490 B10R0.83 C=C(COCCN)C(=O)OC 34a_100000210304_100009813391 [0,1,0,0,0,0|2,0,1]=4 491 B10R0.83 C=CC(=O)C(C)CCCCC 1458a_100000185746_200011218191 [0,1,0,0,0,0|3,0,0]=4 492 B10R0.83 C=CCOC[C@@H](N)C(=O)OC 34a_100000003586_100015514636 [0,1,0,0,0,0|2,0,1]=4 493 B10R0.83 CCCCCC(C)C(=O)CC 1458a_100000210414_200011218191 [0,1,0,0,0,0|3,0,0]=4 494 B10R0.83 CCCCCC(C)C(=O)CC 1458a_100011215998_100000210202 [0,1,0,0,0,0|3,0,0]=4 495 B10R0.83 CCCCCC(C)C(=O)CF 1458a_100011215998_100015361967 [0,1,0,0,0,0|3,0,0]=4 496 B10R0.83 CCCCCC(C)C(=O)CO 1458a_100000210174_200011218191 [0,1,0,0,0,0|2,0,0]=3 497 B10R0.83 CCCCCC(C)C(=O)NC 11a_106832991635_100011215998 [0,1,0,0,0,0|3,0,0]=4 498 B10R0.83 CCCCCC(C)C(=O)NC 1626a_100102657272_100011215998 [0,1,0,0,0,0|3,0,0]=4 499 B10R0.83 CCCCCC(C)C(=O)NC 240690a_100102657272_100011215998 [0,1,0,0,0,0|3,0,0]=4 500 B10R0.83 CCCCCC(C)C(=O)NC 527a_100102657272_100011215998 [0,1,0,0,0,0|3,0,0]=4 501 B10R0.83 CCCCCN(C)C(=O)CO 240690a_100000223495_100000210174 [0,1,0,0,0,0|3,0,0]=4 502 B10R0.83 CCCCCN(C)C(=O)CO 527a_100000223495_100000210174 [0,1,0,0,0,0|3,0,0]=4 503 B10R0.83 CCCCNC(C)C(=O)OC 2230a_100000102301_100000211248 [0,1,0,0,0,0|3,0,0]=4 504 B10R0.83 CCCCNC(C)C(=O)OC 7a_106832991798_100000211248 [0,1,0,0,0,0|3,0,0]=4 505 B10R0.83 CCCCOC(C)C(=O)OC 34a_100000210227_100000211248 [0,1,0,0,0,0|3,0,0]=4 506 B10R0.83 CCCCOC(C)C(=O)OC 34a_100011215400_100000210210 [0,1,0,0,0,0|3,0,0]=4 507 B10R0.83 CCCCOC(C)C(=O)OC 7a_100000210227_100000211248 [0,1,0,0,0,0|3,0,0]=4 508 B10R0.83 CCCCSC(C)C(=O)OC 62a_100000210211_100000211248 [0,1,0,0,0,0|3,0,0]=4 509 B10R0.83 CCCCSC(C)C(=O)OC 62a_100000211248_100000210210 [0,1,0,0,0,0|3,0,0]=4 510 B10R0.83 CCCOCC(C)C(=O)OC 34a_100000210258_100000698445 [0,1,0,0,0,0|3,0,0]=4 511 B10R0.83 CCCOCC(C)C(=O)OC 34a_100000749362_100000210303 [0,1,0,0,0,0|3,0,0]=4 512 B10R0.83 CCCOCC(C)C(=O)OC 7a_100000749362_100000210303 [0,1,0,0,0,0|3,0,0]=4 513 B10R0.83 CCCOCC(F)C(=O)OC 34a_200009849844_100000210303 [0,1,0,0,0,0|3,0,0]=4 514 B10R0.83 CCCOCC(N)C(=O)NN 34a_100016989258_100000210303 [0,1,0,0,0,0|3,0,0]=4 515 B10R0.83 CCCOC[C@@H](N)C(=O)OC 34a_100000003586_100000210303 [0,1,0,0,0,0|2,0,0]=3 516 B10R0.83 CCCSCC(C)C(=O)OC 62a_100000210303_100000698445 [0,1,0,0,0,0|3,0,0]=4 517 B10R0.83 CCCSCC(C)C(=O)OC 62a_100000698445_100000210303 [0,1,0,0,0,0|3,0,0]=4 518 B10R0.83 CCNCCC(C)C(=O)OC 2230a_100015525214_100000034942 [0,1,0,0,0,0|3,0,0]=4 519 B10R0.83 CCOCCC(C)C(=O)OC 34a_100121572206_100000034942 [0,1,0,0,0,0|3,0,0]=4 520 B10R0.83 CCSCCC(C)C(=O)OC 62a_100000034942_100000210202 [0,1,0,0,0,0|3,0,0]=4 521 B10R0.83 CCSCCC(C)C(=O)OC 62a_100000210202_100000034942 [0,1,0,0,0,0|3,0,0]=4 522 B10R0.83 CN(CCCCO)C(=O)CO 240690a_100000717598_100000210174 [0,1,0,0,0,0|3,0,0]=4 523 B10R0.83 CNC(=O)C(C)OCCCN 34a_100000182051_100000731044 [0,1,0,0,0,0|3,0,0]=4 524 B10R0.83 CNC(=O)C(F)OCCCN 34a_100000182051_100009813575 [0,1,0,0,0,0|3,0,0]=4 525 B10R0.83 COC(=O)C(=O)COCCN 34a_100000210304_100011610305 [0,1,0,0,0,0|2,0,1]=4 526 B10R0.83 COC(=O)C(C)CCSCF 62a_100000034942_100015361967 [0,1,0,0,0,0|3,0,0]=4 527 B10R0.83 COC(=O)C(C)CCSCF 62a_100015361967_100000034942 [0,1,0,0,0,0|3,0,0]=4 528 B10R0.83 COC(=O)C(C)CNCCF 34a_100000724931_100000698445 [0,1,0,0,0,0|3,0,0]=4 529 B10R0.83 COC(=O)C(C)CNCCO 34a_100016990907_100000698445 [0,1,0,0,0,0|3,0,0]=4 530 B10R0.83 COC(=O)C(C)COCCBr 34a_100000211926_100000698445 [0,1,0,0,0,0|3,0,0]=4 531 B10R0.83 COC(=O)C(C)COCCF 34a_100000749362_100011217306 [0,1,0,0,0,0|3,0,0]=4 532 B10R0.83 COC(=O)C(C)COCCF 7a_100000749362_100011217306 [0,1,0,0,0,0|3,0,0]=4 533 B10R0.83 COC(=O)C(C)COCCN 34a_100000210304_100000698445 [0,1,0,0,0,0|2,0,0]=3 534 B10R0.83 COC(=O)C(C)COCCO 34a_100000749362_100000211926 [0,1,0,0,0,0|3,0,0]=4 535 B10R0.83 COC(=O)C(C)COCCO 7a_100000749362_100000211926 [0,1,0,0,0,0|3,0,0]=4 536 B10R0.83 COC(=O)C(C)CSCCF 62a_100000698445_100011217306 [0,1,0,0,0,0|3,0,0]=4 537 B10R0.83 COC(=O)C(C)CSCCF 62a_100011217306_100000698445 [0,1,0,0,0,0|3,0,0]=4 538 B10R0.83 COC(=O)C(C)CSCCO 62a_100000211926_100000698445 [0,1,0,0,0,0|3,0,0]=4 539 B10R0.83 COC(=O)C(C)CSCCO 62a_100000698445_100000211926 [0,1,0,0,0,0|3,0,0]=4 540 B10R0.83 COC(=O)C(C)NCCCF 2230a_100015189416_100000211248 [0,1,0,0,0,0|3,0,0]=4 541 B10R0.83 COC(=O)C(C)NCCCF 34a_100015189416_100000211248 [0,1,0,0,0,0|3,0,0]=4 542 B10R0.83 COC(=O)C(C)OCCCBr 34a_100011217188_100000211248 [0,1,0,0,0,0|3,0,0]=4 543 B10R0.83 COC(=O)C(C)OCCCCl 34a_100000230001_100000211248 [0,1,0,0,0,0|3,0,0]=4 544 B10R0.83 COC(=O)C(C)OCCCF 34a_100000759539_100000211248 [0,1,0,0,0,0|3,0,0]=4 545 B10R0.83 COC(=O)C(C)OCCCF 34a_100011215400_100011934791 [0,1,0,0,0,0|3,0,0]=4 546 B10R0.83 COC(=O)C(C)OCCCN 34a_100000182051_100000211248 [0,1,0,0,0,0|2,0,0]=3 547 B10R0.83 COC(=O)C(C)OCCCO 34a_100011215400_100000230001 [0,1,0,0,0,0|3,0,0]=4 548 B10R0.83 COC(=O)C(C)OCCON 34a_100000700252_100000211248 [0,1,0,0,0,0|3,0,0]=4 549 B10R0.83 COC(=O)C(C)SCCCF 62a_100000211248_100011934791 [0,1,0,0,0,0|3,0,0]=4 550 B10R0.83 COC(=O)C(C)SCCCF 62a_100011934791_100000211248 [0,1,0,0,0,0|3,0,0]=4 551 B10R0.83 COC(=O)C(C)SCCCO 62a_100000211248_100011215043 [0,1,0,0,0,0|3,0,0]=4 552 B10R0.83 COC(=O)C(C)SCCCO 62a_100011215043_100000211248 [0,1,0,0,0,0|3,0,0]=4 553 B10R0.83 COC(=O)C(F)COCCF 34a_200009849844_100011217306 [0,1,0,0,0,0|3,0,0]=4 554 B10R0.83 COC(=O)C(F)COCCO 34a_200009849844_100000211926 [0,1,0,0,0,0|3,0,0]=4 555 B10R0.83 COC(=O)[C@H](N)COCC=O 34a_100000003586_200009817547 [0,1,0,0,0,0|2,0,1]=4 556 B10R0.83 COC(=O)[C@H](N)COCCF 34a_100000003586_100011217306 [0,1,0,0,0,0|2,0,0]=3 557 B10R0.83 COC(=O)[C@H](N)COCCO 34a_100000003586_100000211926 [0,1,0,0,0,0|2,0,0]=3 558 B10R0.83 COC(=O)[C@H](N)COCSC 34a_100000003586_100011218213 [0,1,0,0,0,0|3,0,0]=4 559 B10R0.83 NNC(=O)C(N)COCCF 34a_100016989258_100011217306 [0,1,0,0,0,0|3,0,0]=4 560 B10R0.83 NNC(=O)C(N)COCCO 34a_100016989258_100000211926 [0,1,0,0,0,0|3,0,0]=4 561 B10R0.86 C=C[C@H](NCCCC)C(=O)O 269956a_100016992060_100000210211 [0,1,0,0,0,0|3,0,0]=4 562 B10R0.86 C=C[C@H](NCCCF)C(=O)O 269956a_100016992060_100011934791 [0,1,0,0,0,0|3,0,0]=4 563 B10R0.86 C=C[C@H](NCCCO)C(=O)O 269956a_100016992060_100011215043 [0,1,0,0,0,0|3,0,0]=4 564 B10R0.86 CCC(OCCCN)C(=O)N 34a_100000182051_100000750255 [0,1,0,0,0,0|3,0,0]=4 565 B10R0.86 CCCCCC(CC)C(=O)C 1458a_100000697129_200000210301 [0,1,0,0,0,0|3,0,0]=4 566 B10R0.86 CCCCCC(CC)C(=O)[13CH3] 1458a_100000697129_200025704644 [0,1,0,0,0,0|3,0,0]=4 567 B10R0.86 CCCCNC(CO)C(=O)O 269956a_100000187304_100000210211 [0,1,0,0,0,0|3,0,0]=4 568 B10R0.86 CCCCN[C@H](CC)C(=O)O 269956a_100000747097_100000210211 [0,1,0,0,0,0|3,0,0]=4 569 B10R0.86 CC[C@@H](NCCCF)C(=O)O 269956a_100000747097_100011934791 [0,1,0,0,0,0|3,0,0]=4 570 B10R0.86 CC[C@@H](NCCCO)C(=O)O 269956a_100000747097_100011215043 [0,1,0,0,0,0|3,0,0]=4 571 B10R0.86 O=C(O)C(CO)NCCCF 269956a_100000187304_100011934791 [0,1,0,0,0,0|3,0,0]=4 572 B10R0.86 O=C(O)C(CO)NCCCO 269956a_100000187304_100011215043 [0,1,0,0,0,0|3,0,0]=4 573 B10R0.98 CC(C)CCN[C@@H](C)C(=O)O 269956a_100000743915_100000210312 [0,1,0,0,0,0|3,0,0]=4 574 B10R0.98 CC(C)CNCC(C)C(=O)O 269956a_100000749485_100000210760 [0,1,0,0,0,0|3,0,0]=4 575 B10R0.98 CC(C)CNCC(F)C(=O)O 269956a_100000084737_100000210760 [0,1,0,0,0,0|3,0,0]=4 576 B10R0.98 CC(C)COC[C@H](N)C(=O)N 34a_100000729942_100000210624 [0,1,0,0,0,0|3,0,0]=4 577 B10R0.98 CC(CNCC(=O)N)C(=O)O 269956a_100000749485_100000187820 [0,1,0,0,0,0|2,0,1]=4 578 B10R0.98 CC(CNCC(F)F)C(=O)O 269956a_100000749485_100011934356 [0,1,0,0,0,0|3,0,0]=4 579 B10R0.98 CC(CNC[C@@H](C)O)C(=O)O 269956a_100000749485_100009817552 [0,1,0,0,0,0|3,0,0]=4 580 B10R0.98 CC(O)CCN[C@@H](C)C(=O)O 269956a_100000743915_100012276601 [0,1,0,0,0,0|3,0,0]=4 581 B10R0.98 CC(O)CNCC(C)C(=O)O 269956a_100000749485_100011218427 [0,1,0,0,0,0|3,0,0]=4 582 B10R0.98 CC(O)CNCC(F)C(=O)O 269956a_100000084737_100011218427 [0,1,0,0,0,0|3,0,0]=4 583 B10R0.98 CC(O)COC[C@H](N)C(=O)N 34a_100000729942_100011218427 [0,1,0,0,0,0|3,0,0]=4 584 B10R0.98 CC(OCC[C@@H](C)N)C(=O)N 34a_100000706166_100000702099 [0,1,0,0,0,0|3,0,0]=4 585 B10R0.98 C[C@@H](N)CCOC(F)C(=O)N 34a_100000706166_100009813875 [0,1,0,0,0,0|3,0,0]=4 586 B10R0.98 C[C@@H](N)CCOC(F)C(=O)[O-] 34a_100000706166_100020610796 [0,1,0,0,0,0|2,0,1]=4 587 B10R0.98 C[C@@H](O)CNCC(F)C(=O)O 269956a_100000084737_100009817552 [0,1,0,0,0,0|3,0,0]=4 588 B10R0.98 C[C@@H](O)COC[C@H](N)C(=O)N 34a_100000729942_100009817552 [0,1,0,0,0,0|3,0,0]=4 589 B10R0.98 C[C@H](NCCC(=O)N)C(=O)O 269956a_100000743915_100000744528 [0,1,0,0,0,0|2,0,1]=4 590 B10R0.98 NC(=O)CNCC(F)C(=O)O 269956a_100000084737_100000187820 [0,1,0,0,0,0|2,0,1]=4 591 B10R0.98 NC(=O)COC[C@H](N)C(=O)N 34a_100000729942_100000187820 [0,1,0,0,0,0|2,0,1]=4 592 B10R0.98 NC(=O)[C@@H](N)COCC(F)F 34a_100000729942_100011934356 [0,1,0,0,0,0|3,0,0]=4 593 B10R0.98 O=C(O)C(F)CNCC(F)F 269956a_100000084737_100011934356 [0,1,0,0,0,0|3,0,0]=4 594 B10R1.31 CN[C@H]1CC[C@H](C1)C(=O)O 269956a_100015195206_200000210301 [0,0,0,1,0,0|3,0,0]=4 595 B10R1.31 [13CH3]N[C@H]1CC[C@H](C1)C(=O)O 269956a_100015195206_200025704644 [0,0,0,1,0,0|3,0,0]=4 596 B10R1.37 NCCCOC1CCC1=O 34a_100000182051_100009892977 [0,0,0,1,0,0|3,0,0]=4 597 B10R1.93 CCN[C@H]1C[C@H](C1)C(=O)O 269956a_100000738708_100000210202 [0,0,0,1,0,0|3,0,0]=4 598 B10R1.93 O=C(O)[C@H]1C[C@H](C1)NCF 269956a_100000738708_100015361967 [0,0,0,1,0,0|3,0,0]=4 599 B10R1.113 CC(=O)C1CCCC(C1)C 1458a_100011215569_200000210301 [0,0,0,1,0,0|3,0,0]=4 600 B10R1.113 CC(=O)C1CCCC(C1)O 1458a_100000707227_200000210301 [0,0,0,1,0,0|3,0,0]=4 601 B10R1.113 CC(=O)[C@H]1CCCC(=O)N1 1458a_100000705292_200000210301 [0,0,0,1,0,0|2,0,1]=4 602 B10R1.113 CC1CCCC(C1)C(=O)[13CH3] 1458a_100011215569_200025704644 [0,0,0,1,0,0|3,0,0]=4 603 B10R1.113 [13CH3]C(=O)C1CCCC(C1)O 1458a_100000707227_200025704644 [0,0,0,1,0,0|3,0,0]=4 604 B10R1.113 [13CH3]C(=O)[C@H]1CCCC(=O)N1 1458a_100000705292_200025704644 [0,0,0,1,0,0|2,0,1]=4 605 B10R1.204 C[C@H](NC1CCC1)C(=O)O 269956a_100000743915_100000749161 [0,0,0,1,0,0|3,0,0]=4 606 B10R1.205 CC(CNC1CC1)C(=O)O 269956a_100000749485_100000211595 [0,0,0,1,0,0|3,0,0]=4 607 B10R1.205 C[C@H](NCC1CC1)C(=O)O 269956a_100000743915_100000742324 [0,0,0,1,0,0|3,0,0]=4 608 B10R1.205 C[C@H](NCC1CO1)C(=O)O 269956a_100000743915_102125554688 [0,0,0,1,0,0|3,0,0]=4 609 B10R1.205 C[C@H](NCC1CS1)C(=O)O 269956a_100000743915_100000031435 [0,0,0,1,0,0|3,0,0]=4 610 B10R1.205 C[C@H](NC[C@@H]1CO1)C(=O)O 269956a_100000743915_100000745022 [0,0,0,1,0,0|3,0,0]=4 611 B10R1.205 NC(=O)[C@@H](N)COC1CC1 34a_100000729942_100000211595 [0,0,0,1,0,0|3,0,0]=4 612 B10R1.205 O=C(O)C(F)CNC1CC1 269956a_100000084737_100000211595 [0,0,0,1,0,0|3,0,0]=4 613 B10R1.291 CN1CCC[C@@]1(C)C(=O)O 269956a_100009816582_200000210301 [0,0,0,1,0,0|3,0,0]=4 614 B10R1.291 C[C@]1(CCCN1[13CH3])C(=O)O 269956a_100009816582_200025704644 [0,0,0,1,0,0|3,0,0]=4 615 B10R1.348 CC(=O)C1CCCCCC1 1458a_100000070787_100011217769 [0,0,0,1,0,0|3,0,0]=4 616 B10R1.348 CC(=O)C1CCCCCC1 1458a_100000749507_200000210301 [0,0,0,1,0,0|3,0,0]=4 617 B10R1.348 [13CH3]C(=O)C1CCCCCC1 1458a_100000749507_200025704644 [0,0,0,1,0,0|3,0,0]=4 618 B10R1.363 CC(=O)C1(CCCCC1)C 1458a_100000762840_200000210301 [0,0,0,1,0,0|3,0,0]=4 619 B10R1.363 CC(=O)C1(CCCCC1)F 1458a_100000069003_200000210301 [0,0,0,1,0,0|3,0,0]=4 620 B10R1.363 CC(=O)C1(CCCCC1)O 1458a_100000242742_200000210301 [0,0,0,1,0,0|3,0,0]=4 621 B10R1.363 CC1(CCCCC1)C(=O)[13CH3] 1458a_100000762840_200025704644 [0,0,0,1,0,0|3,0,0]=4 622 B10R1.363 [13CH3]C(=O)C1(CCCCC1)F 1458a_100000069003_200025704644 [0,0,0,1,0,0|3,0,0]=4 623 B10R1.363 [13CH3]C(=O)C1(CCCCC1)O 1458a_100000242742_200025704644 [0,0,0,1,0,0|3,0,0]=4 624 B10R0.6 CCCCCC(C)NC(=O)C 11a_100000211957_100015343762 [0,0,0,0,0,1|3,0,0]=4 625 B10R0.6 CCCCCC(C)NC(=O)C 1626a_100000211957_100015343762 [0,0,0,0,0,1|3,0,0]=4 626 B10R0.6 CCCCCC(C)NC(=O)C 240690a_100000211957_100015343762 [0,0,0,0,0,1|3,0,0]=4 627 B10R0.6 CCCCCC(C)NC(=O)C 527a_100000211957_100103153847 [0,0,0,0,0,1|3,0,0]=4 628 B10R0.6 CCCCCN(C)CC(=O)O 269956a_100000746989_100000210326 [0,0,0,0,0,1|3,0,0]=4 629 B10R0.6 CCCNCC(O)CC(=O)O 269956a_100011218706_100000210207 [0,0,0,0,0,1|3,0,0]=4 630 B10R0.6 CN(CCCCF)CC(=O)O 269956a_100000746989_100000729493 [0,0,0,0,0,1|3,0,0]=4 631 B10R0.6 CN(CCCCO)CC(=O)O 269956a_100000746989_100000210776 [0,0,0,0,0,1|3,0,0]=4 632 B10R0.6 O=C(O)CC(O)CNCCF 269956a_100011218706_100011217306 [0,0,0,0,0,1|3,0,0]=4 633 B10R0.6 O=C(O)CC(O)CNCCO 269956a_100011218706_100000211926 [0,0,0,0,0,1|3,0,0]=4 634 B7R0.1 C=CCCOCCN 34a_100000210304_100000754431 [2,0,0,0,0,0|2,0,0]=4 635 B7R0.1 C=CCOCCCN 34a_100000182051_100015514636 [2,0,0,0,0,0|2,0,0]=4 636 B7R0.1 CCCCNCC=O 2230a_100000102301_200015260668 [2,0,0,0,0,0|2,0,0]=4 637 B7R0.1 CCCCNCC=O 7a_106832991798_200015260668 [2,0,0,0,0,0|2,0,0]=4 638 B7R0.1 CCCCOCC=O 34a_100000210227_200009817547 [2,0,0,0,0,0|2,0,0]=4 639 B7R0.1 CCCCOCC=O 7a_100000210227_200015260668 [2,0,0,0,0,0|2,0,0]=4 640 B7R0.1 CCCCSCC=O 62a_100000210211_200015260668 [2,0,0,0,0,0|2,0,0]=4 641 B7R0.1 CCCCSCC=O 62a_200015260668_100000210210 [2,0,0,0,0,0|2,0,0]=4 642 B7R0.1 CCNCCCC=O 2230a_100015525214_200011292268 [2,0,0,0,0,0|2,0,0]=4 643 B7R0.1 CCSCCCC=O 62a_100000210202_200011292268 [2,0,0,0,0,0|2,0,0]=4 644 B7R0.1 CCSCCCC=O 62a_200011292268_100000210202 [2,0,0,0,0,0|2,0,0]=4 645 B7R0.1 CNCCCCC=O 2230a_106832991635_100000139335 [2,0,0,0,0,0|2,0,0]=4 646 B7R0.1 CNCCCCC=O 7a_106832991635_100000139335 [2,0,0,0,0,0|2,0,0]=4 647 B7R0.1 COCCCCCN 34a_100000762737_200000210301 [2,0,0,0,0,0|2,0,0]=4 648 B7R0.1 CSCCCCC=O 62a_100000139335_200000210301 [2,0,0,0,0,0|2,0,0]=4 649 B7R0.1 CSCCCCC=O 62a_200000210301_100000139335 [2,0,0,0,0,0|2,0,0]=4 650 B7R0.1 NCCCOCC=O 34a_100000182051_200009817547 [2,0,0,0,0,0|1,0,0]=3 651 B7R0.1 NCCCOCCO 34a_100000182051_100000211926 [2,0,0,0,0,0|1,0,1]=4 652 B7R0.1 NCCOCCCO 34a_100000210304_100000230001 [2,0,0,0,0,0|1,0,1]=4 653 B7R0.1 NOCCOCC=O 34a_100000700252_200009817547 [2,0,0,0,0,0|2,0,0]=4 654 B7R0.1 O=CCCCSCF 62a_100015361967_200011292268 [2,0,0,0,0,0|2,0,0]=4 655 B7R0.1 O=CCCCSCF 62a_200011292268_100015361967 [2,0,0,0,0,0|2,0,0]=4 656 B7R0.1 O=CCNCCCF 2230a_100015189416_200015260668 [2,0,0,0,0,0|2,0,0]=4 657 B7R0.1 O=CCNCCCF 34a_100015189416_200009817547 [2,0,0,0,0,0|2,0,0]=4 658 B7R0.1 O=CCOCCCBr 34a_100011217188_200009817547 [2,0,0,0,0,0|2,0,0]=4 659 B7R0.1 O=CCOCCCCl 34a_100000230001_200009817547 [2,0,0,0,0,0|2,0,0]=4 660 B7R0.1 O=CCOCCCF 34a_100000759539_200009817547 [2,0,0,0,0,0|2,0,0]=4 661 B7R0.1 O=CCSCCCF 62a_100011934791_200015260668 [2,0,0,0,0,0|2,0,0]=4 662 B7R0.1 O=CCSCCCF 62a_200015260668_100011934791 [2,0,0,0,0,0|2,0,0]=4 663 B7R0.1 O=CCSCCCO 62a_100011215043_200015260668 [2,0,0,0,0,0|2,0,0]=4 664 B7R0.1 O=CCSCCCO 62a_200015260668_100011215043 [2,0,0,0,0,0|2,0,0]=4 665 B7R0.1 [13CH3]OCCCCCN 34a_100000762737_200025704644 [2,0,0,0,0,0|2,0,0]=4 666 B7R0.1 [13CH3]SCCCCC=O 62a_100000139335_200025704644 [2,0,0,0,0,0|2,0,0]=4 667 B7R0.1 [13CH3]SCCCCC=O 62a_200025704644_100000139335 [2,0,0,0,0,0|2,0,0]=4 668 B7R0.3 C=C[C@H](N)COCC 34a_100016989147_100000210202 [2,0,0,0,0,0|2,0,0]=4 669 B7R0.4 CC(=O)CCCCF 1458a_100000070787_100000729493 [2,0,0,0,0,0|2,0,0]=4 670 B7R0.4 CC(=O)CCCCO 1458a_100000070787_100000210776 [2,0,0,0,0,0|2,0,0]=4 671 B7R0.4 CC(=O)CCCCO 1458a_100000695505_200000210301 [2,0,0,0,0,0|2,0,0]=4 672 B7R0.4 CC(=O)CCCO[13CH3] 34a_100000759063_200025704644 [2,0,0,0,0,0|2,0,0]=4 673 B7R0.4 CC(=O)CCCO[13CH3] 7a_100000759063_200025704644 [2,0,0,0,0,0|2,0,0]=4 674 B7R0.4 CC(=O)CCCS[13CH3] 62a_100011215641_200025704644 [2,0,0,0,0,0|2,0,0]=4 675 B7R0.4 CC(=O)CCCS[13CH3] 62a_200025704644_100011215641 [2,0,0,0,0,0|2,0,0]=4 676 B7R0.4 CC(O)COCCN 34a_100000210304_100011218427 [2,0,0,0,0,0|2,0,0]=4 677 B7R0.4 CCCCCC(=O)C 1458a_100000070787_100000210326 [2,0,0,0,0,0|1,0,0]=3 678 B7R0.4 CCCCCC(=O)C 1458a_100000212188_200000210301 [2,0,0,0,0,0|1,0,0]=3 679 B7R0.4 CCCCCC(=O)[13CH3] 1458a_100000212188_200025704644 [2,0,0,0,0,0|1,0,0]=3 680 B7R0.4 CCCCNC(=O)C 11a_100000102301_100015343762 [2,0,0,0,0,0|2,0,0]=4 681 B7R0.4 CCCCNC(=O)C 1626a_100000102301_100015343762 [2,0,0,0,0,0|2,0,0]=4 682 B7R0.4 CCCCNC(=O)C 240690a_100000102301_100015343762 [2,0,0,0,0,0|2,0,0]=4 683 B7R0.4 CCCCNC(=O)C 527a_100000102301_100103153847 [2,0,0,0,0,0|2,0,0]=4 684 B7R0.4 CCCNCC(=O)N 2230a_100000711301_100000210303 [2,0,0,0,0,0|2,0,0]=4 685 B7R0.4 CCCNCC(=O)O 269956a_100016091260_100000210207 [2,0,0,0,0,0|1,0,0]=3 686 B7R0.4 CCCOCC(=O)C 1458a_100000745993_200000210301 [2,0,0,0,0,0|2,0,0]=4 687 B7R0.4 CCCOCC(=O)C 34a_100000211253_100000210303 [2,0,0,0,0,0|2,0,0]=4 688 B7R0.4 CCCOCC(=O)N 34a_100000210258_100000187820 [2,0,0,0,0,0|2,0,0]=4 689 B7R0.4 CCCOCC(=O)[13CH3] 1458a_100000745993_200025704644 [2,0,0,0,0,0|2,0,0]=4 690 B7R0.4 CCCOCC(=O)[O-] 34a_100000210258_100020667443 [2,0,0,0,0,0|1,0,1]=4 691 B7R0.4 CCCSCC(=O)C 1458a_100000217233_200000210301 [2,0,0,0,0,0|2,0,0]=4 692 B7R0.4 CCCSCC(=O)N 62a_100000210303_100000747473 [2,0,0,0,0,0|2,0,0]=4 693 B7R0.4 CCCSCC(=O)N 62a_100000747473_100000210303 [2,0,0,0,0,0|2,0,0]=4 694 B7R0.4 CCCSCC(=O)[13CH3] 1458a_100000217233_200025704644 [2,0,0,0,0,0|2,0,0]=4 695 B7R0.4 CCCSCC(=O)[O-] 62a_100000210303_100020667443 [2,0,0,0,0,0|1,0,1]=4 696 B7R0.4 CCCSCC(=O)[O-] 62a_100020667443_100000210303 [2,0,0,0,0,0|1,0,1]=4 697 B7R0.4 CCNCCC(=O)N 2230a_100015525214_100000744528 [2,0,0,0,0,0|2,0,0]=4 698 B7R0.4 CCNOCC(=O)O 269956a_100000106656_100000210202 [2,0,0,0,0,0|2,0,0]=4 699 B7R0.4 CCOCCC(=O)C 1458a_100000070787_100011215890 [2,0,0,0,0,0|2,0,0]=4 700 B7R0.4 CCOCCC(=O)C 1458a_100000749530_200000210301 [2,0,0,0,0,0|2,0,0]=4 701 B7R0.4 CCOCCC(=O)C 34a_100000759926_100000210202 [2,0,0,0,0,0|2,0,0]=4 702 B7R0.4 CCOCCC(=O)C 7a_100000759926_100000210202 [2,0,0,0,0,0|2,0,0]=4 703 B7R0.4 CCOCCC(=O)N 34a_100000757172_100000210202 [2,0,0,0,0,0|2,0,0]=4 704 B7R0.4 CCOCCC(=O)N 34a_100121572206_100000731001 [2,0,0,0,0,0|2,0,0]=4 705 B7R0.4 CCOCCC(=O)N 7a_100000757172_100000210202 [2,0,0,0,0,0|2,0,0]=4 706 B7R0.4 CCOCCC(=O)[13CH3] 1458a_100000749530_200025704644 [2,0,0,0,0,0|2,0,0]=4 707 B7R0.4 CCSCCC(=O)C 1458a_100000070787_100000757381 [2,0,0,0,0,0|2,0,0]=4 708 B7R0.4 CCSCCC(=O)C 1458a_100000230768_200000210301 [2,0,0,0,0,0|2,0,0]=4 709 B7R0.4 CCSCCC(=O)C 62a_100000053229_100000210202 [2,0,0,0,0,0|2,0,0]=4 710 B7R0.4 CCSCCC(=O)C 62a_100000210202_100000053229 [2,0,0,0,0,0|2,0,0]=4 711 B7R0.4 CCSCCC(=O)N 62a_100000210202_100000744528 [2,0,0,0,0,0|2,0,0]=4 712 B7R0.4 CCSCCC(=O)N 62a_100000744528_100000210202 [2,0,0,0,0,0|2,0,0]=4 713 B7R0.4 CCSCCC(=O)[13CH3] 1458a_100000230768_200025704644 [2,0,0,0,0,0|2,0,0]=4 714 B7R0.4 CNCCCC(=O)C 34a_100102657272_100000685027 [2,0,0,0,0,0|2,0,0]=4 715 B7R0.4 CNCCCC(=O)C 7a_106832991635_100011215641 [2,0,0,0,0,0|2,0,0]=4 716 B7R0.4 CNCCCC(=O)N 34a_100000739312_200000210301 [2,0,0,0,0,0|2,0,0]=4 717 B7R0.4 CNCCCC(=O)N 34a_100102657272_100102525003 [2,0,0,0,0,0|2,0,0]=4 718 B7R0.4 CNCCCC(=O)N 7a_106832991635_100102525003 [2,0,0,0,0,0|2,0,0]=4 719 B7R0.4 COCCCC(=O)C 1458a_100000070787_100000740836 [2,0,0,0,0,0|2,0,0]=4 720 B7R0.4 COCCCC(=O)C 1458a_100000741012_200000210301 [2,0,0,0,0,0|2,0,0]=4 721 B7R0.4 COCCCC(=O)C 34a_100000759063_200000210301 [2,0,0,0,0,0|2,0,0]=4 722 B7R0.4 COCCCC(=O)C 34a_100138415774_100000685027 [2,0,0,0,0,0|2,0,0]=4 723 B7R0.4 COCCCC(=O)C 7a_100000759063_200000210301 [2,0,0,0,0,0|2,0,0]=4 724 B7R0.4 COCCCC(=O)N 34a_100138415774_100102525003 [2,0,0,0,0,0|2,0,0]=4 725 B7R0.4 COCCCC(=O)[13CH3] 1458a_100000741012_200025704644 [2,0,0,0,0,0|2,0,0]=4 726 B7R0.4 COCNCC(=O)O 269956a_100016091260_100000766300 [2,0,0,0,0,0|2,0,0]=4 727 B7R0.4 CSCCCC(=O)C 1458a_100000173376_200000210301 [2,0,0,0,0,0|2,0,0]=4 728 B7R0.4 CSCCCC(=O)C 62a_100011215641_200000210301 [2,0,0,0,0,0|2,0,0]=4 729 B7R0.4 CSCCCC(=O)C 62a_200000210301_100011215641 [2,0,0,0,0,0|2,0,0]=4 730 B7R0.4 CSCCCC(=O)N 62a_100102525003_200000210301 [2,0,0,0,0,0|2,0,0]=4 731 B7R0.4 CSCCCC(=O)N 62a_200000210301_100102525003 [2,0,0,0,0,0|2,0,0]=4 732 B7R0.4 CSCCCC(=O)[13CH3] 1458a_100000173376_200025704644 [2,0,0,0,0,0|2,0,0]=4 733 B7R0.4 CSCNCC(=O)O 269956a_100016091260_100011218213 [2,0,0,0,0,0|2,0,0]=4 734 B7R0.4 C[C@@H](O)COCCN 34a_100000210304_100009817552 [2,0,0,0,0,0|2,0,0]=4 735 B7R0.4 NCCOCC(=O)N 34a_100000210304_100000187820 [2,0,0,0,0,0|1,0,1]=4 736 B7R0.4 NCCOCC(=O)[O-] 34a_100000210304_100020667443 [2,0,0,0,0,0|1,0,1]=4 737 B7R0.4 O=C(O)CNCCF 269956a_100016091260_100011217306 [2,0,0,0,0,0|2,0,0]=4 738 B7R0.4 O=C(O)CNCCO 269956a_100016091260_100000211926 [2,0,0,0,0,0|2,0,0]=4 739 B7R0.4 [13CH3]C(=O)CCCCO 1458a_100000695505_200025704644 [2,0,0,0,0,0|2,0,0]=4 740 B7R0.4 [13CH3]NCCCC(=O)N 34a_100000739312_200025704644 [2,0,0,0,0,0|2,0,0]=4 741 B7R0.4 [13CH3]SCCCC(=O)N 62a_100102525003_200025704644 [2,0,0,0,0,0|2,0,0]=4 742 B7R0.4 [13CH3]SCCCC(=O)N 62a_200025704644_100102525003 [2,0,0,0,0,0|2,0,0]=4 743 B7R0.5 CC(CN[13CH3])C(=O)O 269956a_100000749485_200025704644 [2,0,0,0,0,0|2,0,0]=4 744 B7R0.5 CCCC(C)C(=O)C 1458a_100000070787_100000766640 [2,0,0,0,0,0|2,0,0]=4 745 B7R0.5 CCCC(C)C(=O)C 1458a_100000210906_200000210301 [2,0,0,0,0,0|2,0,0]=4 746 B7R0.5 CCCC(C)C(=O)[13CH3] 1458a_100000210906_200025704644 [2,0,0,0,0,0|2,0,0]=4 747 B7R0.5 CCC[C@H](O)C(=O)C 1458a_100009822183_200000210301 [2,0,0,0,0,0|2,0,0]=4 748 B7R0.5 CCC[C@H](O)C(=O)[13CH3] 1458a_100009822183_200025704644 [2,0,0,0,0,0|2,0,0]=4 749 B7R0.5 CCN[C@@H](C)C(=O)O 269956a_100000743915_100000210202 [2,0,0,0,0,0|2,0,0]=4 750 B7R0.5 CNCC(C)C(=O)O 269956a_100000749485_200000210301 [2,0,0,0,0,0|2,0,0]=4 751 B7R0.5 CNCC(F)C(=O)O 269956a_100000084737_200000210301 [2,0,0,0,0,0|2,0,0]=4 752 B7R0.5 COC[C@H](N)C(=O)N 34a_100000729942_200000210301 [2,0,0,0,0,0|2,0,0]=4 753 B7R0.5 [13CH3]NCC(F)C(=O)O 269956a_100000084737_200025704644 [2,0,0,0,0,0|2,0,0]=4 754 B7R0.5 [13CH3]OC[C@H](N)C(=O)N 34a_100000729942_200025704644 [2,0,0,0,0,0|2,0,0]=4 755 B9R0.5 COC[C@@H](N)CCCCN 34a_100016993712_200000210301 [1,1,0,0,0,0|0,0,1]=3 756 B9R0.5 [13CH3]OC[C@@H](N)CCCCN 34a_100016993712_200025704644 [1,1,0,0,0,0|0,0,1]=3 757 B9R0.46 C=CC(O)COCCCN 34a_100000182051_100000730141 [1,1,0,0,0,0|2,0,0]=4 758 B9R0.46 C=C[C@H](N)COCCCC 34a_100016989147_100000210210 [1,1,0,0,0,0|2,0,0]=4 759 B9R0.46 C=C[C@H](N)COCCCF 34a_100016989147_100011934791 [1,1,0,0,0,0|2,0,0]=4 760 B9R0.46 C=C[C@H](N)COCCCO 34a_100016989147_100000230001 [1,1,0,0,0,0|2,0,0]=4 761 B9R0.46 CC(CO)OCCCCN 34a_100000750430_100012180447 [1,1,0,0,0,0|1,0,1]=4 762 B9R0.46 C[C@@H](CO)COCCCN 34a_100000182051_100000059175 [1,1,0,0,0,0|1,0,1]=4 763 B9R0.46 NCCCOCC(O)CO 34a_100000182051_100011219619 [1,1,0,0,0,0|1,0,1]=4 764 B9R0.46 NCCCOC[C@@H](O)CO 34a_100000182051_100009815848 [1,1,0,0,0,0|1,0,1]=4 765 B9R0.50 NCCCOC(C=O)C=O 34a_100000182051_100000736813 [1,1,0,0,0,0|2,0,0]=4 766 B9R0.2 C#CCCCCCC(=O)C 1458a_100000070787_100012094781 [1,1,0,0,0,0|2,0,0]=4 767 B9R0.2 C#CCCCCCC(=O)C 1458a_100000694772_200000210301 [1,1,0,0,0,0|2,0,0]=4 768 B9R0.2 C#CCCCCCC(=O)[13CH3] 1458a_100000694772_200025704644 [1,1,0,0,0,0|2,0,0]=4 769 B9R0.2 C#CCCCNCC(=O)O 269956a_100016091260_100011215417 [1,1,0,0,0,0|1,0,1]=4 770 B9R0.2 C=C(C)CCOCCCN 34a_100000182051_100000730704 [1,1,0,0,0,0|2,0,0]=4 771 B9R0.2 C=C(C)COCCCCN 34a_100000750430_100000748629 [1,1,0,0,0,0|2,0,0]=4 772 B9R0.2 C=C(F)COCCCCN 34a_100000750430_100009893438 [1,1,0,0,0,0|2,0,0]=4 773 B9R0.2 C=CCCCCCC(=O)C 1458a_100000070787_100000700193 [1,1,0,0,0,0|2,0,0]=4 774 B9R0.2 C=CCCCCCC(=O)C 1458a_100011934241_200000210301 [1,1,0,0,0,0|2,0,0]=4 775 B9R0.2 C=CCCCCCC(=O)[13CH3] 1458a_100011934241_200025704644 [1,1,0,0,0,0|2,0,0]=4 776 B9R0.2 C=CCCCNCC(=O)O 269956a_100016091260_100011713584 [1,1,0,0,0,0|1,0,1]=4 777 B9R0.2 CC(=O)CCCCCC#N 1458a_100000070787_100009813376 [1,1,0,0,0,0|1,0,1]=4 778 B9R0.2 CC(=O)CCCCCCF 1458a_100000070787_100015922095 [1,1,0,0,0,0|2,0,0]=4 779 B9R0.2 CC(=O)CCCCCCO 1458a_100000070787_100000766143 [1,1,0,0,0,0|2,0,0]=4 780 B9R0.2 CC(=O)CCCCCCO 1458a_100011996774_200000210301 [1,1,0,0,0,0|2,0,0]=4 781 B9R0.2 CC(=O)CCCCSCF 62a_100000735457_100015361967 [1,1,0,0,0,0|2,0,0]=4 782 B9R0.2 CC(=O)CCCCSCF 62a_100015361967_100000735457 [1,1,0,0,0,0|2,0,0]=4 783 B9R0.2 CC(=O)CCCNCCF 34a_100000724931_100000685027 [1,1,0,0,0,0|2,0,0]=4 784 B9R0.2 CC(=O)CCCNCCO 34a_100016990907_100000685027 [1,1,0,0,0,0|2,0,0]=4 785 B9R0.2 CC(=O)CCCOCCBr 34a_100000211926_100000685027 [1,1,0,0,0,0|2,0,0]=4 786 B9R0.2 CC(=O)CCCOCCF 34a_100000759063_100011217306 [1,1,0,0,0,0|2,0,0]=4 787 B9R0.2 CC(=O)CCCOCCF 7a_100000759063_100011217306 [1,1,0,0,0,0|2,0,0]=4 788 B9R0.2 CC(=O)CCCOCCN 34a_100000210304_100000685027 [1,1,0,0,0,0|1,0,0]=3 789 B9R0.2 CC(=O)CCCOCCO 34a_100000759063_100000211926 [1,1,0,0,0,0|2,0,0]=4 790 B9R0.2 CC(=O)CCCOCCO 7a_100000759063_100000211926 [1,1,0,0,0,0|2,0,0]=4 791 B9R0.2 CC(=O)CCCSCCF 62a_100011215641_100011217306 [1,1,0,0,0,0|2,0,0]=4 792 B9R0.2 CC(=O)CCCSCCF 62a_100011217306_100011215641 [1,1,0,0,0,0|2,0,0]=4 793 B9R0.2 CC(=O)CCCSCCO 62a_100000211926_100011215641 [1,1,0,0,0,0|2,0,0]=4 794 B9R0.2 CC(=O)CCCSCCO 62a_100011215641_100000211926 [1,1,0,0,0,0|2,0,0]=4 795 B9R0.2 CC(=O)CCOCCCF 34a_100000759926_100011934791 [1,1,0,0,0,0|2,0,0]=4 796 B9R0.2 CC(=O)CCOCCCF 7a_100000759926_100011934791 [1,1,0,0,0,0|2,0,0]=4 797 B9R0.2 CC(=O)CCOCCCO 34a_100000759926_100000230001 [1,1,0,0,0,0|2,0,0]=4 798 B9R0.2 CC(=O)CCOCCCO 7a_100000759926_100011215043 [1,1,0,0,0,0|2,0,0]=4 799 B9R0.2 CC(=O)CCSCCCF 62a_100000053229_100011934791 [1,1,0,0,0,0|2,0,0]=4 800 B9R0.2 CC(=O)CCSCCCF 62a_100011934791_100000053229 [1,1,0,0,0,0|2,0,0]=4 801 B9R0.2 CC(=O)CCSCCCO 62a_100000053229_100011215043 [1,1,0,0,0,0|2,0,0]=4 802 B9R0.2 CC(=O)CCSCCCO 62a_100011215043_100000053229 [1,1,0,0,0,0|2,0,0]=4 803 B9R0.2 CC(=O)COCCCCF 34a_100000211253_100000729493 [1,1,0,0,0,0|2,0,0]=4 804 B9R0.2 CC(=O)COCCCCO 34a_100000211253_100011216708 [1,1,0,0,0,0|2,0,0]=4 805 B9R0.2 CC(=O)NCCCCCO 240690a_100000762737_100015343762 [1,1,0,0,0,0|2,0,0]=4 806 B9R0.2 CC(=O)NCCCCN[13CH3] 2230a_200011368371_200025704644 [1,1,0,0,0,0|2,0,0]=4 807 B9R0.2 CC(=O)NCCCCN[13CH3] 34a_200011368371_200025704644 [1,1,0,0,0,0|2,0,0]=4 808 B9R0.2 CC(=O)OCCOCCN 34a_100000210304_100009814007 [1,1,0,0,0,0|2,0,0]=4 809 B9R0.2 CC(=O)OCOCCCN 34a_100000182051_100009813279 [1,1,0,0,0,0|2,0,0]=4 810 B9R0.2 CC(O)CCCOCCN 34a_100000210304_200000718107 [1,1,0,0,0,0|1,0,1]=4 811 B9R0.2 CC(O)CCOCCCN 34a_100000182051_100012276601 [1,1,0,0,0,0|1,0,1]=4 812 B9R0.2 CC(O)COCCCCN 34a_100000750430_100011218427 [1,1,0,0,0,0|1,0,1]=4 813 B9R0.2 CCCCCCCC(=O)C 1458a_100000070787_100000210614 [1,1,0,0,0,0|2,0,0]=4 814 B9R0.2 CCCCCCCC(=O)C 1458a_100000211969_200000210301 [1,1,0,0,0,0|2,0,0]=4 815 B9R0.2 CCCCCCCC(=O)[13CH3] 1458a_100000211969_200025704644 [1,1,0,0,0,0|2,0,0]=4 816 B9R0.2 CCCCCCNC(=O)C 11a_100000210581_100015343762 [1,1,0,0,0,0|2,0,0]=4 817 B9R0.2 CCCCCCNC(=O)C 1626a_100000210581_100015343762 [1,1,0,0,0,0|2,0,0]=4 818 B9R0.2 CCCCCCNC(=O)C 240690a_100000210581_100015343762 [1,1,0,0,0,0|2,0,0]=4 819 B9R0.2 CCCCCCNC(=O)C 527a_100000210581_100103153847 [1,1,0,0,0,0|2,0,0]=4 820 B9R0.2 CCCCCNCC(=O)N 2230a_100000209983_100000747473 [1,1,0,0,0,0|2,0,0]=4 821 B9R0.2 CCCCCNCC(=O)N 2230a_100000711301_100000210326 [1,1,0,0,0,0|2,0,0]=4 822 B9R0.2 CCCCCNCC(=O)O 269956a_100016091260_100000210326 [1,1,0,0,0,0|1,0,0]=3 823 B9R0.2 CCCCCOCC(=O)C 34a_100000211253_100000718602 [1,1,0,0,0,0|2,0,0]=4 824 B9R0.2 CCCCCOCC(=O)N 34a_100000210253_100000187820 [1,1,0,0,0,0|2,0,0]=4 825 B9R0.2 CCCCCOCC(=O)N 7a_100000210253_100000187820 [1,1,0,0,0,0|2,0,0]=4 826 B9R0.2 CCCCCOCC(=O)[O-] 34a_100000210253_100020667443 [1,1,0,0,0,0|1,0,1]=4 827 B9R0.2 CCCCCSCC(=O)N 62a_100000210326_100000747473 [1,1,0,0,0,0|2,0,0]=4 828 B9R0.2 CCCCCSCC(=O)N 62a_100000747473_100000210326 [1,1,0,0,0,0|2,0,0]=4 829 B9R0.2 CCCCCSCC(=O)[O-] 62a_100000210326_100020667443 [1,1,0,0,0,0|1,0,1]=4 830 B9R0.2 CCCCCSCC(=O)[O-] 62a_100020667443_100000210326 [1,1,0,0,0,0|1,0,1]=4 831 B9R0.2 CCCCNCCC(=O)C 7a_106832991798_100000053229 [1,1,0,0,0,0|2,0,0]=4 832 B9R0.2 CCCCNCCC(=O)N 2230a_100000102301_100000744528 [1,1,0,0,0,0|2,0,0]=4 833 B9R0.2 CCCCNCCC(=O)N 7a_106832991798_100000744528 [1,1,0,0,0,0|2,0,0]=4 834 B9R0.2 CCCCNOCC(=O)O 269956a_100000106656_100000210211 [1,1,0,0,0,0|2,0,0]=4 835 B9R0.2 CCCCOCCC(=O)C 1458a_100000070787_100000743108 [1,1,0,0,0,0|2,0,0]=4 836 B9R0.2 CCCCOCCC(=O)C 34a_100000759926_100000210210 [1,1,0,0,0,0|2,0,0]=4 837 B9R0.2 CCCCOCCC(=O)C 7a_100000210227_100000053229 [1,1,0,0,0,0|2,0,0]=4 838 B9R0.2 CCCCOCCC(=O)C 7a_100000759926_100000210211 [1,1,0,0,0,0|2,0,0]=4 839 B9R0.2 CCCCOCCC(=O)N 34a_100000210227_100000731001 [1,1,0,0,0,0|2,0,0]=4 840 B9R0.2 CCCCOCCC(=O)N 34a_100000757172_100000210210 [1,1,0,0,0,0|2,0,0]=4 841 B9R0.2 CCCCOCCC(=O)N 7a_100000210227_100000744528 [1,1,0,0,0,0|2,0,0]=4 842 B9R0.2 CCCCOCCC(=O)N 7a_100000757172_100000210211 [1,1,0,0,0,0|2,0,0]=4 843 B9R0.2 CCCCSCCC(=O)C 62a_100000053229_100000210210 [1,1,0,0,0,0|2,0,0]=4 844 B9R0.2 CCCCSCCC(=O)C 62a_100000210211_100000053229 [1,1,0,0,0,0|2,0,0]=4 845 B9R0.2 CCCCSCCC(=O)N 62a_100000210211_100000744528 [1,1,0,0,0,0|2,0,0]=4 846 B9R0.2 CCCCSCCC(=O)N 62a_100000744528_100000210210 [1,1,0,0,0,0|2,0,0]=4 847 B9R0.2 CCCNCCCC(=O)N 34a_100000739312_100000210303 [1,1,0,0,0,0|2,0,0]=4 848 B9R0.2 CCCOCCCC(=O)C 34a_100000210258_100000685027 [1,1,0,0,0,0|2,0,0]=4 849 B9R0.2 CCCOCCCC(=O)C 34a_100000759063_100000210303 [1,1,0,0,0,0|2,0,0]=4 850 B9R0.2 CCCOCCCC(=O)C 7a_100000759063_100000210303 [1,1,0,0,0,0|2,0,0]=4 851 B9R0.2 CCCOCCCC(=O)N 34a_100000210258_100102525003 [1,1,0,0,0,0|2,0,0]=4 852 B9R0.2 CCCSCCCC(=O)C 62a_100000210303_100011215641 [1,1,0,0,0,0|2,0,0]=4 853 B9R0.2 CCCSCCCC(=O)C 62a_100011215641_100000210303 [1,1,0,0,0,0|2,0,0]=4 854 B9R0.2 CCCSCCCC(=O)N 62a_100000210303_100102525003 [1,1,0,0,0,0|2,0,0]=4 855 B9R0.2 CCCSCCCC(=O)N 62a_100102525003_100000210303 [1,1,0,0,0,0|2,0,0]=4 856 B9R0.2 CCNCCCCC(=O)N 34a_100000696515_100000210202 [1,1,0,0,0,0|2,0,0]=4 857 B9R0.2 CCNCCOCC(=O)O 269956a_100000700818_100000210202 [1,1,0,0,0,0|2,0,0]=4 858 B9R0.2 CCOCCCCC(=O)C 34a_100121572206_100009817362 [1,1,0,0,0,0|2,0,0]=4 859 B9R0.2 CCOCCCCC(=O)N 34a_100012022536_100000210202 [1,1,0,0,0,0|2,0,0]=4 860 B9R0.2 CCOCCCCC(=O)N 7a_100012022536_100000210202 [1,1,0,0,0,0|2,0,0]=4 861 B9R0.2 CCOCCNCC(=O)O 269956a_100016091260_100000210147 [1,1,0,0,0,0|2,0,0]=4 862 B9R0.2 CCSCCCCC(=O)C 62a_100000210202_100000735457 [1,1,0,0,0,0|2,0,0]=4 863 B9R0.2 CCSCCCCC(=O)C 62a_100000735457_100000210202 [1,1,0,0,0,0|2,0,0]=4 864 B9R0.2 CCSCCNCC(=O)O 269956a_100016091260_100000757381 [1,1,0,0,0,0|2,0,0]=4 865 B9R0.2 CNCCCCCB(O)O 2230a_106832991635_200009817188 [1,1,0,0,0,0|1,0,1]=4 866 B9R0.2 CNCCCCCB(O)O 34a_100102657272_200009817188 [1,1,0,0,0,0|1,0,1]=4 867 B9R0.2 CNCCCCCB(O)O 7a_106832991635_200009817188 [1,1,0,0,0,0|1,0,1]=4 868 B9R0.2 CNCCCCCC(=O)N 2230a_106832991635_100009817443 [1,1,0,0,0,0|1,0,0]=3 869 B9R0.2 CNCCCCCC(=O)N 34a_100102657272_100009817443 [1,1,0,0,0,0|1,0,0]=3 870 B9R0.2 CNCCCCCC(=O)N 7a_106832991635_100009817443 [1,1,0,0,0,0|1,0,0]=3 871 B9R0.2 CNCCCCNC(=O)C 2230a_200011368371_200000210301 [1,1,0,0,0,0|2,0,0]=4 872 B9R0.2 CNCCCCNC(=O)C 34a_200011368371_200000210301 [1,1,0,0,0,0|2,0,0]=4 873 B9R0.2 CNCCCCOC(=O)C 34a_100102657272_100000033659 [1,1,0,0,0,0|2,0,0]=4 874 B9R0.2 CNCCCCOC(=O)C 7a_106832991635_100000033659 [1,1,0,0,0,0|2,0,0]=4 875 B9R0.2 CNCCCCSC(=O)C 2230a_106832991635_200010402107 [1,1,0,0,0,0|2,0,0]=4 876 B9R0.2 CNCCCCSC(=O)C 34a_100102657272_200010402107 [1,1,0,0,0,0|2,0,0]=4 877 B9R0.2 CNCCCCSC(=O)C 7a_106832991635_200010402107 [1,1,0,0,0,0|2,0,0]=4 878 B9R0.2 CNCCCOCC(=O)N 34a_100000213112_100000187820 [1,1,0,0,0,0|2,0,0]=4 879 B9R0.2 CNCCCOCC(=O)[O-] 34a_100000213112_100020667443 [1,1,0,0,0,0|1,0,1]=4 880 B9R0.2 COCCCCCC(=O)C 1458a_100011935119_200000210301 [1,1,0,0,0,0|2,0,0]=4 881 B9R0.2 COCCCCCC(=O)N 34a_100000123541_200000210301 [1,1,0,0,0,0|2,0,0]=4 882 B9R0.2 COCCCCCC(=O)N 34a_100138415774_100009817443 [1,1,0,0,0,0|2,0,0]=4 883 B9R0.2 COCCCCCC(=O)N 7a_100000123541_200000210301 [1,1,0,0,0,0|2,0,0]=4 884 B9R0.2 COCCCCCC(=O)[13CH3] 1458a_100011935119_200025704644 [1,1,0,0,0,0|2,0,0]=4 885 B9R0.2 COCCCCCC(=O)[O-] 7a_100102619762_200000210301 [1,1,0,0,0,0|1,0,1]=4 886 B9R0.2 COCCCNCC(=O)O 269956a_100016091260_100000740836 [1,1,0,0,0,0|2,0,0]=4 887 B9R0.2 CSCCCCCC(=O)N 62a_100009817443_200000210301 [1,1,0,0,0,0|2,0,0]=4 888 B9R0.2 CSCCCCCC(=O)N 62a_200000210301_100009817443 [1,1,0,0,0,0|2,0,0]=4 889 B9R0.2 C[C@@H](O)COCCCCN 34a_100000750430_100009817552 [1,1,0,0,0,0|1,0,1]=4 890 B9R0.2 N#CCCCNCC(=O)O 269956a_100016091260_100000687738 [1,1,0,0,0,0|0,0,2]=4 891 B9R0.2 NC(=O)CCCCNCF 34a_100000696515_100015361967 [1,1,0,0,0,0|2,0,0]=4 892 B9R0.2 NC(=O)CCCCOCF 34a_100012022536_100015361967 [1,1,0,0,0,0|2,0,0]=4 893 B9R0.2 NC(=O)CCCCOCF 7a_100012022536_100015361967 [1,1,0,0,0,0|2,0,0]=4 894 B9R0.2 NC(=O)CCCNCCF 34a_100000724931_100102525003 [1,1,0,0,0,0|2,0,0]=4 895 B9R0.2 NC(=O)CCCNCCF 34a_100000739312_100011217306 [1,1,0,0,0,0|2,0,0]=4 896 B9R0.2 NC(=O)CCCNCCO 34a_100000739312_100000211926 [1,1,0,0,0,0|2,0,0]=4 897 B9R0.2 NC(=O)CCCNCCO 34a_100016990907_100102525003 [1,1,0,0,0,0|2,0,0]=4 898 B9R0.2 NC(=O)CCCOCCBr 34a_100000211926_100102525003 [1,1,0,0,0,0|2,0,0]=4 899 B9R0.2 NC(=O)CCCSCCF 62a_100011217306_100102525003 [1,1,0,0,0,0|2,0,0]=4 900 B9R0.2 NC(=O)CCCSCCF 62a_100102525003_100011217306 [1,1,0,0,0,0|2,0,0]=4 901 B9R0.2 NC(=O)CCCSCCO 62a_100000211926_100102525003 [1,1,0,0,0,0|2,0,0]=4 902 B9R0.2 NC(=O)CCCSCCO 62a_100102525003_100000211926 [1,1,0,0,0,0|2,0,0]=4 903 B9R0.2 NC(=O)CCNCCCF 2230a_100015189416_100000744528 [1,1,0,0,0,0|2,0,0]=4 904 B9R0.2 NC(=O)CCNCCCF 34a_100015189416_100000731001 [1,1,0,0,0,0|2,0,0]=4 905 B9R0.2 NC(=O)CCOCCCBr 34a_100011217188_100000731001 [1,1,0,0,0,0|2,0,0]=4 906 B9R0.2 NC(=O)CCOCCCCl 34a_100000230001_100000731001 [1,1,0,0,0,0|2,0,0]=4 907 B9R0.2 NC(=O)CCOCCCF 34a_100000757172_100011934791 [1,1,0,0,0,0|2,0,0]=4 908 B9R0.2 NC(=O)CCOCCCF 34a_100000759539_100000731001 [1,1,0,0,0,0|2,0,0]=4 909 B9R0.2 NC(=O)CCOCCCF 7a_100000757172_100011934791 [1,1,0,0,0,0|2,0,0]=4 910 B9R0.2 NC(=O)CCOCCCO 34a_100000757172_100000230001 [1,1,0,0,0,0|2,0,0]=4 911 B9R0.2 NC(=O)CCOCCCO 7a_100000757172_100011215043 [1,1,0,0,0,0|2,0,0]=4 912 B9R0.2 NC(=O)CCSCCCF 62a_100000744528_100011934791 [1,1,0,0,0,0|2,0,0]=4 913 B9R0.2 NC(=O)CCSCCCF 62a_100011934791_100000744528 [1,1,0,0,0,0|2,0,0]=4 914 B9R0.2 NC(=O)CCSCCCO 62a_100000744528_100011215043 [1,1,0,0,0,0|2,0,0]=4 915 B9R0.2 NC(=O)CCSCCCO 62a_100011215043_100000744528 [1,1,0,0,0,0|2,0,0]=4 916 B9R0.2 NC(=O)CNCCCCF 2230a_100000711301_100000729493 [1,1,0,0,0,0|2,0,0]=4 917 B9R0.2 NC(=O)CNCCCCO 2230a_100000711301_100000210776 [1,1,0,0,0,0|2,0,0]=4 918 B9R0.2 NC(=O)CNCCCCO 2230a_100000750430_100000747473 [1,1,0,0,0,0|2,0,0]=4 919 B9R0.2 NC(=O)CNCCCCO 34a_100000750430_100000187820 [1,1,0,0,0,0|2,0,0]=4 920 B9R0.2 NC(=O)COCCCCBr 34a_100011216708_100000187820 [1,1,0,0,0,0|2,0,0]=4 921 B9R0.2 NC(=O)COCCCCCl 34a_100000210776_100000187820 [1,1,0,0,0,0|2,0,0]=4 922 B9R0.2 NC(=O)COCCCCCl 7a_100000210776_100000187820 [1,1,0,0,0,0|2,0,0]=4 923 B9R0.2 NC(=O)COCCCCF 34a_100011995726_100000187820 [1,1,0,0,0,0|2,0,0]=4 924 B9R0.2 NC(=O)COCCCCF 7a_100011995726_100000187820 [1,1,0,0,0,0|2,0,0]=4 925 B9R0.2 NC(=O)COCCCCI 34a_200012148704_100000187820 [1,1,0,0,0,0|2,0,0]=4 926 B9R0.2 NC(=O)CSCCCCF 62a_100000729493_100000747473 [1,1,0,0,0,0|2,0,0]=4 927 B9R0.2 NC(=O)CSCCCCF 62a_100000747473_100000729493 [1,1,0,0,0,0|2,0,0]=4 928 B9R0.2 NC(=O)CSCCCCO 62a_100000210776_100000747473 [1,1,0,0,0,0|2,0,0]=4 929 B9R0.2 NC(=O)CSCCCCO 62a_100000747473_100000210776 [1,1,0,0,0,0|2,0,0]=4 930 B9R0.2 NCCCCOCC(=O)N 34a_100000750430_100000187820 [1,1,0,0,0,0|1,0,0]=3 931 B9R0.2 NCCCCOCC(=O)[O-] 34a_100000750430_100020667443 [1,1,0,0,0,0|0,0,1]=3 932 B9R0.2 NCCCCOC[N+](=O)[O-] 34a_100000750430_100000761209 [1,1,0,0,0,0|1,0,1]=4 933 B9R0.2 NCCCOCCC(=O)N 34a_100000182051_100000731001 [1,1,0,0,0,0|1,0,0]=3 934 B9R0.2 NCCOCCCC(=O)N 34a_100000210304_100102525003 [1,1,0,0,0,0|1,0,0]=3 935 B9R0.2 NCCOCCOC(=O)N 34a_100000210304_200011214921 [1,1,0,0,0,0|2,0,0]=4 936 B9R0.2 NOCCOCCC(=O)N 34a_100000700252_100000731001 [1,1,0,0,0,0|2,0,0]=4 937 B9R0.2 O=C(O)CNCCCCF 269956a_100016091260_100000729493 [1,1,0,0,0,0|1,0,0]=3 938 B9R0.2 O=C(O)CNCCCCO 269956a_100016091260_100000210776 [1,1,0,0,0,0|1,0,0]=3 939 B9R0.2 O=C(O)COCCNCF 269956a_100000700818_100015361967 [1,1,0,0,0,0|2,0,0]=4 940 B9R0.2 O=C(O)CONCCCF 269956a_100000106656_100011934791 [1,1,0,0,0,0|2,0,0]=4 941 B9R0.2 O=C(O)CONCCCO 269956a_100000106656_100011215043 [1,1,0,0,0,0|2,0,0]=4 942 B9R0.2 O=C([O-])CNCCCCO 34a_100000750430_100020667443 [1,1,0,0,0,0|1,0,1]=4 943 B9R0.2 O=C([O-])COCCCCBr 34a_100011216708_100020667443 [1,1,0,0,0,0|1,0,1]=4 944 B9R0.2 O=C([O-])COCCCCCl 34a_100000210776_100020667443 [1,1,0,0,0,0|1,0,1]=4 945 B9R0.2 O=C([O-])COCCCCF 34a_100011995726_100020667443 [1,1,0,0,0,0|1,0,1]=4 946 B9R0.2 O=C([O-])COCCCCI 34a_200012148704_100020667443 [1,1,0,0,0,0|1,0,1]=4 947 B9R0.2 O=C([O-])CSCCCCF 62a_100000729493_100020667443 [1,1,0,0,0,0|1,0,1]=4 948 B9R0.2 O=C([O-])CSCCCCF 62a_100020667443_100000729493 [1,1,0,0,0,0|1,0,1]=4 949 B9R0.2 O=C([O-])CSCCCCO 62a_100000210776_100020667443 [1,1,0,0,0,0|1,0,1]=4 950 B9R0.2 O=C([O-])CSCCCCO 62a_100020667443_100000210776 [1,1,0,0,0,0|1,0,1]=4 951 B9R0.2 O=CCCCNCC(=O)O 269956a_100016091260_200011292268 [1,1,0,0,0,0|1,0,1]=4 952 B9R0.2 [13CH3]C(=O)CCCCCCO 1458a_100011996774_200025704644 [1,1,0,0,0,0|2,0,0]=4 953 B9R0.2 [13CH3]OCCCCCC(=O)N 34a_100000123541_200025704644 [1,1,0,0,0,0|2,0,0]=4 954 B9R0.2 [13CH3]OCCCCCC(=O)N 7a_100000123541_200025704644 [1,1,0,0,0,0|2,0,0]=4 955 B9R0.2 [13CH3]OCCCCCC(=O)[O-] 7a_100102619762_200025704644 [1,1,0,0,0,0|1,0,1]=4 956 B9R0.2 [13CH3]SCCCCCC(=O)N 62a_100009817443_200025704644 [1,1,0,0,0,0|2,0,0]=4 957 B9R0.2 [13CH3]SCCCCCC(=O)N 62a_200025704644_100009817443 [1,1,0,0,0,0|2,0,0]=4 958 B9R0.4 CCCCN(C)CC(=O)O 269956a_100000746989_100000210211 [1,1,0,0,0,0|2,0,0]=4 959 B9R0.4 CCNCC(O)CC(=O)O 269956a_100011218706_100000210202 [1,1,0,0,0,0|2,0,0]=4 960 B9R0.4 CN(CCCF)CC(=O)O 269956a_100000746989_100011934791 [1,1,0,0,0,0|2,0,0]=4 961 B9R0.4 CN(CCCO)CC(=O)O 269956a_100000746989_100011215043 [1,1,0,0,0,0|2,0,0]=4 962 B9R0.4 O=C(O)CC(O)CNCF 269956a_100011218706_100015361967 [1,1,0,0,0,0|2,0,0]=4 963 B9R0.48 CC(CCO)NCC(=O)O 269956a_100016091260_100009893172 [1,1,0,0,0,0|2,0,0]=4 964 B9R0.48 CCCC(C)NCC(=O)O 269956a_100016091260_100000766640 [1,1,0,0,0,0|2,0,0]=4 965 B9R0.55 CC(=O)CCCCC(C)C 1458a_100000070787_100011216152 [1,1,0,0,0,0|2,0,0]=4 966 B9R0.55 CC(=O)CCCCC(C)C 1458a_100011933920_200000210301 [1,1,0,0,0,0|2,0,0]=4 967 B9R0.55 CC(C)CCCCC(=O)[13CH3] 1458a_100011933920_200025704644 [1,1,0,0,0,0|2,0,0]=4 968 B9R0.55 CC(C)CCNCC(=O)O 269956a_100016091260_100000210312 [1,1,0,0,0,0|2,0,0]=4 969 B9R0.55 CC(O)CCNCC(=O)O 269956a_100016091260_100012276601 [1,1,0,0,0,0|2,0,0]=4 970 B9R0.55 C[C@@H](N)CCOCC(=O)N 34a_100000706166_100000187820 [1,1,0,0,0,0|2,0,0]=4 971 B9R0.55 C[C@@H](N)CCOCC(=O)[O-] 34a_100000706166_100020667443 [1,1,0,0,0,0|1,0,1]=4 972 B9R0.55 C[C@@H](N)COCCC(=O)N 34a_100000737577_100000731001 [1,1,0,0,0,0|2,0,0]=4 973 B9R0.55 NC(=O)CCNCC(=O)O 269956a_100016091260_100000744528 [1,1,0,0,0,0|1,0,1]=4 974 B9R0.6 CCCN(C)C(C)C(=O)O 269956a_100000749554_100000210207 [1,1,0,0,0,0|2,0,0]=4 975 B9R0.6 CCO[C@H](C)[C@H](N)C(=O)N 34a_100000003557_100000210202 [1,1,0,0,0,0|2,0,0]=4 976 B9R0.7 CC(=O)C(C)CCC(C)C 1458a_100000070787_100011261404 [1,1,0,0,0,0|2,0,0]=4 977 B9R0.7 CC(C)CN[C@@H](C)C(=O)O 269956a_100000743915_100000210760 [1,1,0,0,0,0|2,0,0]=4 978 B9R0.7 CC(C)NCC(C)C(=O)O 269956a_100000749485_100000210206 [1,1,0,0,0,0|2,0,0]=4 979 B9R0.7 CC(C)NCC(F)C(=O)O 269956a_100000084737_100000210206 [1,1,0,0,0,0|2,0,0]=4 980 B9R0.7 CC(C)OC[C@H](N)C(=O)N 34a_100000729942_100000210206 [1,1,0,0,0,0|2,0,0]=4 981 B9R0.7 CC(O)CN[C@@H](C)C(=O)O 269956a_100000743915_100011218427 [1,1,0,0,0,0|2,0,0]=4 982 B9R0.7 C[C@H](NC[C@@H](C)O)C(=O)O 269956a_100000743915_100009817552 [1,1,0,0,0,0|2,0,0]=4 983 B9R0.13 C=C[C@H](NCCC)C(=O)O 269956a_100016992060_100000210207 [1,1,0,0,0,0|2,0,0]=4 984 B9R0.13 CCCCC(CC)C(=O)C 1458a_100000070787_200011216223 [1,1,0,0,0,0|2,0,0]=4 985 B9R0.13 CCCCC(CC)C(=O)C 1458a_100000211130_200000210301 [1,1,0,0,0,0|2,0,0]=4 986 B9R0.13 CCCCC(CC)C(=O)[13CH3] 1458a_100000211130_200025704644 [1,1,0,0,0,0|2,0,0]=4 987 B9R0.13 CCCCC(NC)C(=O)N 2230a_106832991635_100000748834 [1,1,0,0,0,0|1,0,0]=3 988 B9R0.13 CCCCC(NC)C(=O)N 34a_100102657272_100000748834 [1,1,0,0,0,0|1,0,0]=3 989 B9R0.13 CCCCC(NC)C(=O)N 7a_106832991635_100000748834 [1,1,0,0,0,0|1,0,0]=3 990 B9R0.13 CCCCC(OC)C(=O)N 34a_100138415774_100000748834 [1,1,0,0,0,0|2,0,0]=4 991 B9R0.13 CCCCC(SC)C(=O)N 62a_100000748834_200000210301 [1,1,0,0,0,0|2,0,0]=4 992 B9R0.13 CCCCC(SC)C(=O)N 62a_200000210301_100000748834 [1,1,0,0,0,0|2,0,0]=4 993 B9R0.13 CCCCC(S[13CH3])C(=O)N 62a_100000748834_200025704644 [1,1,0,0,0,0|2,0,0]=4 994 B9R0.13 CCCCC(S[13CH3])C(=O)N 62a_200025704644_100000748834 [1,1,0,0,0,0|2,0,0]=4 995 B9R0.13 CCCC[C@H](NC)C(=O)N 2230a_100000124899_200000210301 [1,1,0,0,0,0|1,0,0]=3 996 B9R0.13 CCCC[C@H](NC)C(=O)N 34a_100000124899_200000210301 [1,1,0,0,0,0|1,0,0]=3 997 B9R0.13 CCCC[C@H](N[13CH3])C(=O)N 2230a_100000124899_200025704644 [1,1,0,0,0,0|1,0,0]=3 998 B9R0.13 CCCC[C@H](N[13CH3])C(=O)N 34a_100000124899_200025704644 [1,1,0,0,0,0|1,0,0]=3 999 B9R0.13 CCCNC(CO)C(=O)O 269956a_100000187304_100000210207 [1,1,0,0,0,0|2,0,0]=4 1000 B9R0.13 CCCN[C@H](CC)C(=O)O 269956a_100000747097_100000210207 [1,1,0,0,0,0|2,0,0]=4 1001 B9R0.13 CN[C@@H](CCSC)C(=O)N 2230a_100000119342_200000210301 [1,1,0,0,0,0|2,0,0]=4 1002 B9R0.13 CN[C@@H](CCSC)C(=O)N 34a_100000119342_200000210301 [1,1,0,0,0,0|2,0,0]=4 1003 B9R0.13 CN[C@@H](CCSC)C(=O)O 269956a_100000743919_200000210301 [1,1,0,0,0,0|1,0,0]=3 1004 B9R0.13 CN[C@@H](CC[Se]C)C(=O)O 269956a_100020619752_200000210301 [1,1,0,0,0,0|1,0,0]=3 1005 B9R0.13 CSCC[C@H](N[13CH3])C(=O)N 2230a_100000119342_200025704644 [1,1,0,0,0,0|2,0,0]=4 1006 B9R0.13 CSCC[C@H](N[13CH3])C(=O)N 34a_100000119342_200025704644 [1,1,0,0,0,0|2,0,0]=4 1007 B9R0.13 CSCC[C@H](N[13CH3])C(=O)O 269956a_100000743919_200025704644 [1,1,0,0,0,0|1,0,0]=3 1008 B9R0.13 C[Se]CC[C@H](N[13CH3])C(=O)O 269956a_100020619752_200025704644 [1,1,0,0,0,0|1,0,0]=3 1009 B9R0.42 CCC(C)N[C@@H](C)C(=O)O 269956a_100000743915_100000758301 [1,1,0,0,0,0|2,0,0]=4 1010 B9R0.51 CCCCC(C)(C)C(=O)C 1458a_100011216040_200000210301 [1,1,0,0,0,0|2,0,0]=4 1011 B9R0.51 CCCCC(C)(C)C(=O)[13CH3] 1458a_100011216040_200025704644 [1,1,0,0,0,0|2,0,0]=4 1012 B9R0.51 CCCCC(C)(O)C(=O)C 1458a_100000137666_200000210301 [1,1,0,0,0,0|2,0,0]=4 1013 B9R0.51 CCCCC(C)(O)C(=O)[13CH3] 1458a_100000137666_200025704644 [1,1,0,0,0,0|2,0,0]=4 1014 B9R0.51 CCCCC(F)(F)C(=O)C 1458a_100000100317_200000210301 [1,1,0,0,0,0|2,0,0]=4 1015 B9R0.51 CCCCC(F)(F)C(=O)[13CH3] 1458a_100000100317_200025704644 [1,1,0,0,0,0|2,0,0]=4 1016 B9R0.51 CCNCC(C)(C)C(=O)O 269956a_100000693527_100000210202 [1,1,0,0,0,0|2,0,0]=4 1017 B9R0.51 CCNCC(F)(F)C(=O)O 269956a_100000734215_100000210202 [1,1,0,0,0,0|2,0,0]=4 1018 B11R0.2 CCCCNCC(O)CC(=O)O 269956a_100011218706_100000210211 [0,1,0,0,0,1|2,0,0]=4 1019 B11R0.2 O=C(O)CC(O)CNCCCF 269956a_100011218706_100011934791 [0,1,0,0,0,1|2,0,0]=4 1020 B11R0.2 O=C(O)CC(O)CNCCCO 269956a_100011218706_100011215043 [0,1,0,0,0,1|2,0,0]=4 1021 B11R0.154 CCCCCC(C)NC(=O)CO 240690a_100000211957_100000210174 [0,1,0,0,0,1|2,0,0]=4 1022 B11R0.154 CCCCCC(C)NC(=O)CO 527a_100000211957_100000210174 [0,1,0,0,0,1|2,0,0]=4 1023 B11R0.154 COC(=O)CC(C)OCCCN 34a_100000182051_100009817358 [0,1,0,0,0,1|2,0,0]=4 1024 B11R0.154 COC(=O)C[C@@H](O)COCCN 34a_100000210304_100000754131 [0,1,0,0,0,1|2,0,0]=4 1025 B11R0.163 CCCCC(C)N[C@@H](C)C(=O)O 269956a_100000743915_200011215066 [0,2,0,0,0,0|2,0,0]=4 1026 B11R0.125 CC(C)(CNCCCF)C(=O)O 269956a_100000693527_100011934791 [0,2,0,0,0,0|2,0,0]=4 1027 B11R0.125 CC(C)(CNCCCO)C(=O)O 269956a_100000693527_100011215043 [0,2,0,0,0,0|2,0,0]=4 1028 B11R0.125 CC(C)(COCCCN)C(=O)N 34a_100000182051_200009895572 [0,2,0,0,0,0|2,0,0]=4 1029 B11R0.125 CC(C)(OCCCCN)C(=O)N 34a_100000750430_100000702505 [0,2,0,0,0,0|2,0,0]=4 1030 B11R0.125 CCCCNCC(C)(C)C(=O)O 269956a_100000693527_100000210211 [0,2,0,0,0,0|2,0,0]=4 1031 B11R0.125 CCCCNCC(F)(F)C(=O)O 269956a_100000734215_100000210211 [0,2,0,0,0,0|2,0,0]=4 1032 B11R0.125 NCCCCOC(F)(F)C(=O)[O-] 34a_100000750430_100020612412 [0,2,0,0,0,0|1,0,1]=4 1033 B11R0.125 O=C(O)C(F)(F)CNCCCF 269956a_100000734215_100011934791 [0,2,0,0,0,0|2,0,0]=4 1034 B11R0.125 O=C(O)C(F)(F)CNCCCO 269956a_100000734215_100011215043 [0,2,0,0,0,0|2,0,0]=4 1035 B11R0.326 COC(=O)C(C)(F)OCCCN 34a_100000182051_200009867631 [0,2,0,0,0,0|2,0,0]=4 1036 B11R0.326 COC(=O)C(F)(F)COCCN 34a_100000210304_100010295740 [0,2,0,0,0,0|2,0,0]=4 1037 B11R0.326 COC(=O)C(F)(F)OCCCN 34a_100000182051_100000211177 [0,2,0,0,0,0|2,0,0]=4 1038 B11R0.29 CC(C)CCCN[C@@H](C)C(=O)O 269956a_100000743915_100011214892 [0,2,0,0,0,0|2,0,0]=4 1039 B11R0.29 CC(C)CCNCC(C)C(=O)O 269956a_100000749485_100000210312 [0,2,0,0,0,0|2,0,0]=4 1040 B11R0.29 CC(C)CCNCC(F)C(=O)O 269956a_100000084737_100000210312 [0,2,0,0,0,0|2,0,0]=4 1041 B11R0.29 CC(C)CCOC[C@H](N)C(=O)N 34a_100000729942_100000210312 [0,2,0,0,0,0|2,0,0]=4 1042 B11R0.29 CC(CNCCC(=O)N)C(=O)O 269956a_100000749485_100000744528 [0,2,0,0,0,0|1,0,1]=4 1043 B11R0.29 CC(CNCCN(C)C)C(=O)O 269956a_100000749485_100000755713 [0,2,0,0,0,0|2,0,0]=4 1044 B11R0.29 CC(O)CCCN[C@@H](C)C(=O)O 269956a_100000743915_200000718107 [0,2,0,0,0,0|2,0,0]=4 1045 B11R0.29 CC(O)CCNCC(C)C(=O)O 269956a_100000749485_100012276601 [0,2,0,0,0,0|2,0,0]=4 1046 B11R0.29 CC(O)CCNCC(F)C(=O)O 269956a_100000084737_100012276601 [0,2,0,0,0,0|2,0,0]=4 1047 B11R0.29 CC(O)CCOC[C@H](N)C(=O)N 34a_100000729942_100012276601 [0,2,0,0,0,0|2,0,0]=4 1048 B11R0.29 CN(C)CCNCC(F)C(=O)O 269956a_100000084737_100000755713 [0,2,0,0,0,0|2,0,0]=4 1049 B11R0.29 C[C@H](NCCCC(=O)N)C(=O)O 269956a_100000743915_100102525003 [0,2,0,0,0,0|1,0,1]=4 1050 B11R0.29 C[C@H](NCCCN(C)C)C(=O)O 269956a_100000743915_100000757444 [0,2,0,0,0,0|2,0,0]=4 1051 B11R0.29 NC(=O)CCNCC(F)C(=O)O 269956a_100000084737_100000744528 [0,2,0,0,0,0|1,0,1]=4 1052 B11R0.29 NC(=O)CCOC[C@H](N)C(=O)N 34a_100000729942_100000731001 [0,2,0,0,0,0|1,0,1]=4 1053 B11R0.42 C#CCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100010269958 [0,2,0,0,0,0|2,0,0]=4 1054 B11R0.42 C#CCCCNCC(C)C(=O)O 269956a_100000749485_100011215417 [0,2,0,0,0,0|2,0,0]=4 1055 B11R0.42 C#CCCCNCC(F)C(=O)O 269956a_100000084737_100011215417 [0,2,0,0,0,0|2,0,0]=4 1056 B11R0.42 C#CCCCOC[C@H](N)C(=O)N 34a_100000729942_100000695029 [0,2,0,0,0,0|2,0,0]=4 1057 B11R0.42 C=CCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100011215482 [0,2,0,0,0,0|2,0,0]=4 1058 B11R0.42 C=CCCCNCC(C)C(=O)O 269956a_100000749485_100011713584 [0,2,0,0,0,0|2,0,0]=4 1059 B11R0.42 C=CCCCNCC(F)C(=O)O 269956a_100000084737_100011713584 [0,2,0,0,0,0|2,0,0]=4 1060 B11R0.42 C=CCCCOC[C@H](N)C(=O)N 34a_100000729942_100000757094 [0,2,0,0,0,0|2,0,0]=4 1061 B11R0.42 CC(CNCCCC#N)C(=O)O 269956a_100000749485_100000687738 [0,2,0,0,0,0|1,0,1]=4 1062 B11R0.42 CC(CNCCCC=O)C(=O)O 269956a_100000749485_200011292268 [0,2,0,0,0,0|2,0,0]=4 1063 B11R0.42 CC(CNCCCCF)C(=O)O 269956a_100000749485_100000729493 [0,2,0,0,0,0|2,0,0]=4 1064 B11R0.42 CC(CNCCCCO)C(=O)O 269956a_100000749485_100000210776 [0,2,0,0,0,0|2,0,0]=4 1065 B11R0.42 CC(OCCCCCN)C(=O)N 34a_100000762737_100000702099 [0,2,0,0,0,0|2,0,0]=4 1066 B11R0.42 CC(OCCOCCN)C(=O)N 34a_100000211614_100000702099 [0,2,0,0,0,0|2,0,0]=4 1067 B11R0.42 CCCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210757 [0,2,0,0,0,0|2,0,0]=4 1068 B11R0.42 CCCCCNCC(C)C(=O)O 269956a_100000749485_100000210326 [0,2,0,0,0,0|2,0,0]=4 1069 B11R0.42 CCCCCNCC(F)C(=O)O 269956a_100000084737_100000210326 [0,2,0,0,0,0|2,0,0]=4 1070 B11R0.42 CCCCCOC[C@H](N)C(=O)N 34a_100000729942_100000718602 [0,2,0,0,0,0|2,0,0]=4 1071 B11R0.42 CCCCOCN[C@@H](C)C(=O)O 269956a_100000743915_100011995733 [0,2,0,0,0,0|2,0,0]=4 1072 B11R0.42 CCCOCCN[C@@H](C)C(=O)O 269956a_100000743915_100011215938 [0,2,0,0,0,0|2,0,0]=4 1073 B11R0.42 CCOCCCN[C@@H](C)C(=O)O 269956a_100000743915_100012232248 [0,2,0,0,0,0|2,0,0]=4 1074 B11R0.42 CCOCCNCC(C)C(=O)O 269956a_100000749485_100000210147 [0,2,0,0,0,0|2,0,0]=4 1075 B11R0.42 CCOCCNCC(F)C(=O)O 269956a_100000084737_100000210147 [0,2,0,0,0,0|2,0,0]=4 1076 B11R0.42 CCOCCOC[C@H](N)C(=O)N 34a_100000729942_100000210147 [0,2,0,0,0,0|2,0,0]=4 1077 B11R0.42 CCSCCNCC(C)C(=O)O 269956a_100000749485_100000757381 [0,2,0,0,0,0|2,0,0]=4 1078 B11R0.42 CCSCCNCC(F)C(=O)O 269956a_100000084737_100000757381 [0,2,0,0,0,0|2,0,0]=4 1079 B11R0.42 CCSCCOC[C@H](N)C(=O)N 34a_100000729942_100000757381 [0,2,0,0,0,0|2,0,0]=4 1080 B11R0.42 COCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000730899 [0,2,0,0,0,0|2,0,0]=4 1081 B11R0.42 COCCCNCC(C)C(=O)O 269956a_100000749485_100000740836 [0,2,0,0,0,0|2,0,0]=4 1082 B11R0.42 COCCCNCC(F)C(=O)O 269956a_100000084737_100000740836 [0,2,0,0,0,0|2,0,0]=4 1083 B11R0.42 COCCCOC[C@H](N)C(=O)N 34a_100000729942_100000740836 [0,2,0,0,0,0|2,0,0]=4 1084 B11R0.42 C[C@H](NCCCCC#N)C(=O)O 269956a_100000743915_100011219923 [0,2,0,0,0,0|1,0,1]=4 1085 B11R0.42 C[C@H](NCCCCC=O)C(=O)O 269956a_100000743915_100000139335 [0,2,0,0,0,0|2,0,0]=4 1086 B11R0.42 C[C@H](NCCCCCF)C(=O)O 269956a_100000743915_100000729378 [0,2,0,0,0,0|2,0,0]=4 1087 B11R0.42 C[C@H](NCCCCCO)C(=O)O 269956a_100000743915_100000746330 [0,2,0,0,0,0|2,0,0]=4 1088 B11R0.42 C[C@H](NCCOCCO)C(=O)O 269956a_100000743915_100011215305 [0,2,0,0,0,0|2,0,0]=4 1089 B11R0.42 N#CCCCNCC(F)C(=O)O 269956a_100000084737_100000687738 [0,2,0,0,0,0|1,0,1]=4 1090 B11R0.42 NC(=O)[C@@H](N)COCCCCF 34a_100000729942_100000729493 [0,2,0,0,0,0|2,0,0]=4 1091 B11R0.42 NC(=O)[C@@H](N)COCCCCO 34a_100000729942_100011216708 [0,2,0,0,0,0|2,0,0]=4 1092 B11R0.42 NCCCCCOC(F)C(=O)N 34a_100000762737_100009813875 [0,2,0,0,0,0|2,0,0]=4 1093 B11R0.42 NCCCCCOC(F)C(=O)[O-] 34a_100000762737_100020610796 [0,2,0,0,0,0|1,0,1]=4 1094 B11R0.42 NCCOCCOC(F)C(=O)N 34a_100000211614_100009813875 [0,2,0,0,0,0|2,0,0]=4 1095 B11R0.42 NCCOCCOC(F)C(=O)[O-] 34a_100000211614_100020610796 [0,2,0,0,0,0|1,0,1]=4 1096 B11R0.42 O=C(O)C(F)CNCCCCF 269956a_100000084737_100000729493 [0,2,0,0,0,0|2,0,0]=4 1097 B11R0.42 O=C(O)C(F)CNCCCCO 269956a_100000084737_100000210776 [0,2,0,0,0,0|2,0,0]=4 1098 B11R0.42 O=CCCCNCC(F)C(=O)O 269956a_100000084737_200011292268 [0,2,0,0,0,0|2,0,0]=4 1099 B11R0.76 C=C[C@H](NCCCCC)C(=O)O 269956a_100016992060_100000210326 [0,2,0,0,0,0|2,0,0]=4 1100 B11R0.76 C=C[C@H](NCCCCF)C(=O)O 269956a_100016992060_100000729493 [0,2,0,0,0,0|2,0,0]=4 1101 B11R0.76 C=C[C@H](NCCCCO)C(=O)O 269956a_100016992060_100000210776 [0,2,0,0,0,0|2,0,0]=4 1102 B11R0.76 CCC(OCCCCN)C(=O)N 34a_100000750430_100000750255 [0,2,0,0,0,0|2,0,0]=4 1103 B11R0.76 CCCCCNC(CO)C(=O)O 269956a_100000187304_100000210326 [0,2,0,0,0,0|2,0,0]=4 1104 B11R0.76 CCCCCN[C@H](CC)C(=O)O 269956a_100000747097_100000210326 [0,2,0,0,0,0|2,0,0]=4 1105 B11R0.76 CC[C@@H](NCCCCF)C(=O)O 269956a_100000747097_100000729493 [0,2,0,0,0,0|2,0,0]=4 1106 B11R0.76 CC[C@@H](NCCCCO)C(=O)O 269956a_100000747097_100000210776 [0,2,0,0,0,0|2,0,0]=4 1107 B11R0.76 O=C(O)C(CO)NCCCCF 269956a_100000187304_100000729493 [0,2,0,0,0,0|2,0,0]=4 1108 B11R0.76 O=C(O)C(CO)NCCCCO 269956a_100000187304_100000210776 [0,2,0,0,0,0|2,0,0]=4 1109 B11R0.109 CC(CNCC(O)CO)C(=O)O 269956a_100000749485_100011219619 [0,2,0,0,0,0|2,0,0]=4 1110 B11R0.109 CC(CNC[C@@H](C)CO)C(=O)O 269956a_100000749485_100000059175 [0,2,0,0,0,0|2,0,0]=4 1111 B11R0.109 CC(CNC[C@@H](O)CF)C(=O)O 269956a_100000749485_100015614560 [0,2,0,0,0,0|2,0,0]=4 1112 B11R0.109 CC(CNC[C@@H](O)CO)C(=O)O 269956a_100000749485_100009815848 [0,2,0,0,0,0|2,0,0]=4 1113 B11R0.109 CCC(C)CNCC(C)C(=O)O 269956a_100000749485_100000748023 [0,2,0,0,0,0|2,0,0]=4 1114 B11R0.109 CCC(C)CNCC(F)C(=O)O 269956a_100000084737_100000748023 [0,2,0,0,0,0|2,0,0]=4 1115 B11R0.109 CCC(C)COC[C@H](N)C(=O)N 34a_100000729942_100000748023 [0,2,0,0,0,0|2,0,0]=4 1116 B11R0.109 CCC(O)CNCC(C)C(=O)O 269956a_100000749485_100011218378 [0,2,0,0,0,0|2,0,0]=4 1117 B11R0.109 CCC(O)CNCC(F)C(=O)O 269956a_100000084737_100011218378 [0,2,0,0,0,0|2,0,0]=4 1118 B11R0.109 CCC(O)COC[C@H](N)C(=O)N 34a_100000729942_100011218378 [0,2,0,0,0,0|2,0,0]=4 1119 B11R0.109 CC[C@H](C)CNCC(C)C(=O)O 269956a_100000749485_100009816398 [0,2,0,0,0,0|2,0,0]=4 1120 B11R0.109 CC[C@H](C)CNCC(F)C(=O)O 269956a_100000084737_100009816398 [0,2,0,0,0,0|2,0,0]=4 1121 B11R0.109 CC[C@H](C)COC[C@H](N)C(=O)N 34a_100000729942_100009816398 [0,2,0,0,0,0|2,0,0]=4 1122 B11R0.109 C[C@@H](CO)CNCC(F)C(=O)O 269956a_100000084737_100000059175 [0,2,0,0,0,0|2,0,0]=4 1123 B11R0.109 C[C@@H](CO)COC[C@H](N)C(=O)N 34a_100000729942_100000059175 [0,2,0,0,0,0|2,0,0]=4 1124 B11R0.109 NC(=O)[C@@H](N)COCC(O)CO 34a_100000729942_100011219619 [0,2,0,0,0,0|2,0,0]=4 1125 B11R0.109 NC(=O)[C@@H](N)COC[C@@H](O)CF 34a_100000729942_100015614560 [0,2,0,0,0,0|2,0,0]=4 1126 B11R0.109 NC(=O)[C@@H](N)COC[C@@H](O)CO 34a_100000729942_100009815848 [0,2,0,0,0,0|2,0,0]=4 1127 B11R0.109 O=C(O)C(F)CNCC(O)CO 269956a_100000084737_100011219619 [0,2,0,0,0,0|2,0,0]=4 1128 B11R0.109 O=C(O)C(F)CNC[C@@H](O)CF 269956a_100000084737_100015614560 [0,2,0,0,0,0|2,0,0]=4 1129 B11R0.109 O=C(O)C(F)CNC[C@@H](O)CO 269956a_100000084737_100009815848 [0,2,0,0,0,0|2,0,0]=4 1130 B11R0.141 CC(CCN)COC(C)C(=O)N 34a_106354213184_100000702099 [0,2,0,0,0,0|2,0,0]=4 1131 B11R0.141 CC(CCN)COC(F)C(=O)N 34a_106354213184_100009813875 [0,2,0,0,0,0|2,0,0]=4 1132 B11R0.141 CC(CCN)COC(F)C(=O)[O-] 34a_106354213184_100020610796 [0,2,0,0,0,0|1,0,1]=4 1133 B11R0.141 CC(CCO)NCC(C)C(=O)O 269956a_100000749485_100009893172 [0,2,0,0,0,0|2,0,0]=4 1134 B11R0.141 CC(CCO)NCC(F)C(=O)O 269956a_100000084737_100009893172 [0,2,0,0,0,0|2,0,0]=4 1135 B11R0.141 CC(CCO)OC[C@H](N)C(=O)N 34a_100000729942_100009893172 [0,2,0,0,0,0|2,0,0]=4 1136 B11R0.141 CCCC(C)CN[C@@H](C)C(=O)O 269956a_100000743915_100011216630 [0,2,0,0,0,0|2,0,0]=4 1137 B11R0.141 CCCC(C)NCC(C)C(=O)O 269956a_100000749485_100000766640 [0,2,0,0,0,0|2,0,0]=4 1138 B11R0.141 CCCC(C)NCC(F)C(=O)O 269956a_100000084737_100000766640 [0,2,0,0,0,0|2,0,0]=4 1139 B11R0.141 CCCC(C)OC[C@H](N)C(=O)N 34a_100000729942_100000766640 [0,2,0,0,0,0|2,0,0]=4 1140 B11R0.142 C#CCCOC[C@@H](N)C(=O)OC 34a_100000003586_100000688953 [0,2,0,0,0,0|1,0,1]=4 1141 B11R0.142 C=C(COCCCN)C(=O)OC 34a_100000182051_100009813391 [0,2,0,0,0,0|1,0,1]=4 1142 B11R0.142 C=CCCOC[C@@H](N)C(=O)OC 34a_100000003586_100000754431 [0,2,0,0,0,0|1,0,1]=4 1143 B11R0.142 CCCCCCC(C)C(=O)CO 1458a_100000210174_100011215978 [0,2,0,0,0,0|2,0,0]=4 1144 B11R0.142 CCCCCNC(C)C(=O)OC 2230a_100000209983_100000211248 [0,2,0,0,0,0|2,0,0]=4 1145 B11R0.142 CCCCCOC(C)C(=O)OC 34a_100000210253_100000211248 [0,2,0,0,0,0|2,0,0]=4 1146 B11R0.142 CCCCCOC(C)C(=O)OC 34a_100011215400_100000718602 [0,2,0,0,0,0|2,0,0]=4 1147 B11R0.142 CCCCCOC(C)C(=O)OC 7a_100000210253_100000211248 [0,2,0,0,0,0|2,0,0]=4 1148 B11R0.142 CCCCCSC(C)C(=O)OC 62a_100000210326_100000211248 [0,2,0,0,0,0|2,0,0]=4 1149 B11R0.142 CCCCCSC(C)C(=O)OC 62a_100000211248_100000210326 [0,2,0,0,0,0|2,0,0]=4 1150 B11R0.142 CCCCOCC(C)C(=O)OC 34a_100000210227_100000698445 [0,2,0,0,0,0|2,0,0]=4 1151 B11R0.142 CCCCOCC(C)C(=O)OC 34a_100000749362_100000210210 [0,2,0,0,0,0|2,0,0]=4 1152 B11R0.142 CCCCOCC(C)C(=O)OC 7a_100000749362_100000210211 [0,2,0,0,0,0|2,0,0]=4 1153 B11R0.142 CCCCOCC(F)C(=O)OC 34a_200009849844_100000210210 [0,2,0,0,0,0|2,0,0]=4 1154 B11R0.142 CCCCOCC(N)C(=O)NN 34a_100016989258_100000210210 [0,2,0,0,0,0|2,0,0]=4 1155 B11R0.142 CCCCOC[C@@H](N)C(=O)OC 34a_100000003586_100000210210 [0,2,0,0,0,0|1,0,0]=3 1156 B11R0.142 CCCCSCC(C)C(=O)OC 62a_100000210211_100000698445 [0,2,0,0,0,0|2,0,0]=4 1157 B11R0.142 CCCCSCC(C)C(=O)OC 62a_100000698445_100000210210 [0,2,0,0,0,0|2,0,0]=4 1158 B11R0.142 CCCOCCC(C)C(=O)OC 34a_100000210258_100000034942 [0,2,0,0,0,0|2,0,0]=4 1159 B11R0.142 CCCSCCC(C)C(=O)OC 62a_100000034942_100000210303 [0,2,0,0,0,0|2,0,0]=4 1160 B11R0.142 CCCSCCC(C)C(=O)OC 62a_100000210303_100000034942 [0,2,0,0,0,0|2,0,0]=4 1161 B11R0.142 CNC(=O)C(C)OCCCCN 34a_100000750430_100000731044 [0,2,0,0,0,0|2,0,0]=4 1162 B11R0.142 CNC(=O)C(F)OCCCCN 34a_100000750430_100009813575 [0,2,0,0,0,0|2,0,0]=4 1163 B11R0.142 CNCCCOC(C)C(=O)OC 34a_100000213112_100000211248 [0,2,0,0,0,0|2,0,0]=4 1164 B11R0.142 COC(=O)C(=O)COCCCN 34a_100000182051_100011610305 [0,2,0,0,0,0|1,0,1]=4 1165 B11R0.142 COC(=O)C(C)CCNCCF 34a_100000724931_100000034942 [0,2,0,0,0,0|2,0,0]=4 1166 B11R0.142 COC(=O)C(C)CCNCCO 2230a_100016997473_100000034942 [0,2,0,0,0,0|2,0,0]=4 1167 B11R0.142 COC(=O)C(C)CCNCCO 34a_100016990907_100000034942 [0,2,0,0,0,0|2,0,0]=4 1168 B11R0.142 COC(=O)C(C)CCOCCBr 34a_100000211926_100000034942 [0,2,0,0,0,0|2,0,0]=4 1169 B11R0.142 COC(=O)C(C)CCOCCN 34a_100000210304_100000034942 [0,2,0,0,0,0|1,0,0]=3 1170 B11R0.142 COC(=O)C(C)CCSCCF 62a_100000034942_100011217306 [0,2,0,0,0,0|2,0,0]=4 1171 B11R0.142 COC(=O)C(C)CCSCCF 62a_100011217306_100000034942 [0,2,0,0,0,0|2,0,0]=4 1172 B11R0.142 COC(=O)C(C)CCSCCO 62a_100000034942_100000211926 [0,2,0,0,0,0|2,0,0]=4 1173 B11R0.142 COC(=O)C(C)CCSCCO 62a_100000211926_100000034942 [0,2,0,0,0,0|2,0,0]=4 1174 B11R0.142 COC(=O)C(C)CNCCCF 34a_100015189416_100000698445 [0,2,0,0,0,0|2,0,0]=4 1175 B11R0.142 COC(=O)C(C)COCCCBr 34a_100011217188_100000698445 [0,2,0,0,0,0|2,0,0]=4 1176 B11R0.142 COC(=O)C(C)COCCCCl 34a_100000230001_100000698445 [0,2,0,0,0,0|2,0,0]=4 1177 B11R0.142 COC(=O)C(C)COCCCF 34a_100000749362_100011934791 [0,2,0,0,0,0|2,0,0]=4 1178 B11R0.142 COC(=O)C(C)COCCCF 34a_100000759539_100000698445 [0,2,0,0,0,0|2,0,0]=4 1179 B11R0.142 COC(=O)C(C)COCCCF 7a_100000749362_100011934791 [0,2,0,0,0,0|2,0,0]=4 1180 B11R0.142 COC(=O)C(C)COCCCN 34a_100000182051_100000698445 [0,2,0,0,0,0|1,0,0]=3 1181 B11R0.142 COC(=O)C(C)COCCCO 34a_100000749362_100000230001 [0,2,0,0,0,0|2,0,0]=4 1182 B11R0.142 COC(=O)C(C)COCCCO 7a_100000749362_100011215043 [0,2,0,0,0,0|2,0,0]=4 1183 B11R0.142 COC(=O)C(C)COCCON 34a_100000700252_100000698445 [0,2,0,0,0,0|2,0,0]=4 1184 B11R0.142 COC(=O)C(C)CSCCCF 62a_100000698445_100011934791 [0,2,0,0,0,0|2,0,0]=4 1185 B11R0.142 COC(=O)C(C)CSCCCF 62a_100011934791_100000698445 [0,2,0,0,0,0|2,0,0]=4 1186 B11R0.142 COC(=O)C(C)CSCCCO 62a_100000698445_100011215043 [0,2,0,0,0,0|2,0,0]=4 1187 B11R0.142 COC(=O)C(C)CSCCCO 62a_100011215043_100000698445 [0,2,0,0,0,0|2,0,0]=4 1188 B11R0.142 COC(=O)C(C)NCCCCO 2230a_100000750430_100000211248 [0,2,0,0,0,0|2,0,0]=4 1189 B11R0.142 COC(=O)C(C)NCCCCO 34a_100000750430_100000211248 [0,2,0,0,0,0|2,0,0]=4 1190 B11R0.142 COC(=O)C(C)OCCCCBr 34a_100011216708_100000211248 [0,2,0,0,0,0|2,0,0]=4 1191 B11R0.142 COC(=O)C(C)OCCCCCl 34a_100000210776_100000211248 [0,2,0,0,0,0|2,0,0]=4 1192 B11R0.142 COC(=O)C(C)OCCCCCl 7a_100000210776_100000211248 [0,2,0,0,0,0|2,0,0]=4 1193 B11R0.142 COC(=O)C(C)OCCCCF 34a_100011215400_100000729493 [0,2,0,0,0,0|2,0,0]=4 1194 B11R0.142 COC(=O)C(C)OCCCCF 34a_100011995726_100000211248 [0,2,0,0,0,0|2,0,0]=4 1195 B11R0.142 COC(=O)C(C)OCCCCF 7a_100011995726_100000211248 [0,2,0,0,0,0|2,0,0]=4 1196 B11R0.142 COC(=O)C(C)OCCCCI 34a_200012148704_100000211248 [0,2,0,0,0,0|2,0,0]=4 1197 B11R0.142 COC(=O)C(C)OCCCCN 34a_100000750430_100000211248 [0,2,0,0,0,0|1,0,0]=3 1198 B11R0.142 COC(=O)C(C)OCCCCO 34a_100011215400_100011216708 [0,2,0,0,0,0|2,0,0]=4 1199 B11R0.142 COC(=O)C(C)SCCCCF 62a_100000211248_100000729493 [0,2,0,0,0,0|2,0,0]=4 1200 B11R0.142 COC(=O)C(C)SCCCCF 62a_100000729493_100000211248 [0,2,0,0,0,0|2,0,0]=4 1201 B11R0.142 COC(=O)C(C)SCCCCO 62a_100000210776_100000211248 [0,2,0,0,0,0|2,0,0]=4 1202 B11R0.142 COC(=O)C(C)SCCCCO 62a_100000211248_100000210776 [0,2,0,0,0,0|2,0,0]=4 1203 B11R0.142 COC(=O)C(F)COCCCF 34a_200009849844_100011934791 [0,2,0,0,0,0|2,0,0]=4 1204 B11R0.142 COC(=O)C(F)COCCCO 34a_200009849844_100000230001 [0,2,0,0,0,0|2,0,0]=4 1205 B11R0.142 COC(=O)[C@H](N)COCCCF 34a_100000003586_100011934791 [0,2,0,0,0,0|1,0,0]=3 1206 B11R0.142 COC(=O)[C@H](N)COCCCO 34a_100000003586_100000230001 [0,2,0,0,0,0|1,0,0]=3 1207 B11R0.142 COC(=O)[C@H](N)COCCSC 34a_100000003586_100000212216 [0,2,0,0,0,0|2,0,0]=4 1208 B11R0.142 COCCOC[C@@H](N)C(=O)OC 34a_100000003586_100011201679 [0,2,0,0,0,0|2,0,0]=4 1209 B11R0.142 NNC(=O)C(N)COCCCF 34a_100016989258_100011934791 [0,2,0,0,0,0|2,0,0]=4 1210 B11R0.142 NNC(=O)C(N)COCCCO 34a_100016989258_100000230001 [0,2,0,0,0,0|2,0,0]=4 1211 B11R0.73 CCCO[C@H](C)[C@H](N)C(=O)OC 34a_100000004424_100000210303 [0,2,0,0,0,0|2,0,0]=4 1212 B11R0.73 COC(=O)[C@@H](N)[C@@H](C)OCCF 34a_100000004424_100011217306 [0,2,0,0,0,0|2,0,0]=4 1213 B11R0.73 COC(=O)[C@@H](N)[C@@H](C)OCCO 34a_100000004424_100000211926 [0,2,0,0,0,0|2,0,0]=4 1214 B11R0.120 CCC(C)OC[C@@H](N)C(=O)OC 34a_100000003586_100011215416 [0,2,0,0,0,0|2,0,0]=4 1215 B11R0.120 COC(=O)C(C)COC(C)CN 34a_100000210904_100000698445 [0,2,0,0,0,0|2,0,0]=4 1216 B11R0.120 COC(=O)C(C)OCC(C)CN 34a_100000744482_100000211248 [0,2,0,0,0,0|2,0,0]=4 1217 B11R0.120 COC(=O)C(C)OC[C@H](F)CN 34a_100015665980_100000211248 [0,2,0,0,0,0|2,0,0]=4 1218 B11R0.120 COC(=O)[C@H](N)COC(C)CO 34a_100000003586_100012180447 [0,2,0,0,0,0|2,0,0]=4 1219 B11R0.75 CCC(OCCCN)C(=O)OC 34a_100000182051_100000235869 [0,2,0,0,0,0|2,0,0]=4 1220 B11R0.75 CCCCCC(NC)C(=O)NC 2230a_200121577139_200000210301 [0,2,0,0,0,0|2,0,0]=4 1221 B11R0.75 CCCCCC(NC)C(=O)NC 34a_200121577139_200000210301 [0,2,0,0,0,0|2,0,0]=4 1222 B11R0.75 CCCCCC(N[13CH3])C(=O)NC 2230a_200121577139_200025704644 [0,2,0,0,0,0|2,0,0]=4 1223 B11R0.75 CCCCCC(N[13CH3])C(=O)NC 34a_200121577139_200025704644 [0,2,0,0,0,0|2,0,0]=4 1224 B11R0.75 CCCCOC(CN)C(=O)OC 34a_100000695228_100000210210 [0,2,0,0,0,0|2,0,0]=4 1225 B11R0.75 COC(=O)C(C=O)OCCCN 34a_100000182051_100000046368 [0,2,0,0,0,0|2,0,0]=4 1226 B11R0.75 COC(=O)C(CN)OCCCF 34a_100000695228_100011934791 [0,2,0,0,0,0|2,0,0]=4 1227 B11R0.75 COC(=O)C(CN)OCCCO 34a_100000695228_100000230001 [0,2,0,0,0,0|2,0,0]=4 1228 B11R0.75 COC(=O)C(CO)OCCCN 34a_100000182051_100012276630 [0,2,0,0,0,0|2,0,0]=4 1229 B11R0.75 COC(=O)C(OC)OCCCN 34a_100000182051_100000101307 [0,2,0,0,0,0|2,0,0]=4 1230 B11R0.145 COC(=O)C(C)COC[C@@H](C)N 34a_100000737577_100000698445 [0,2,0,0,0,0|2,0,0]=4 1231 B11R0.145 COC(=O)C(C)OCC[C@@H](C)N 34a_100000706166_100000211248 [0,2,0,0,0,0|2,0,0]=4 1232 B11R0.145 COC(=O)[C@H](N)COCC(=O)N 34a_100000003586_100000187820 [0,2,0,0,0,0|1,0,1]=4 1233 B11R0.145 COC(=O)[C@H](N)COCC(C)C 34a_100000003586_100000210624 [0,2,0,0,0,0|2,0,0]=4 1234 B11R0.145 COC(=O)[C@H](N)COCC(C)O 34a_100000003586_100011218427 [0,2,0,0,0,0|2,0,0]=4 1235 B11R0.145 COC(=O)[C@H](N)COCC(F)F 34a_100000003586_100011934356 [0,2,0,0,0,0|2,0,0]=4 1236 B11R0.145 COC(=O)[C@H](N)COC[C@@H](C)O 34a_100000003586_100009817552 [0,2,0,0,0,0|2,0,0]=4 1237 B11R0.155 CCCCCC(C)C(=O)CCO 1458a_100011215998_100000211926 [0,2,0,0,0,0|2,0,0]=4 1238 B11R0.155 CCCCCC(C)C(=O)CCO 1458a_100011216618_200011218191 [0,2,0,0,0,0|2,0,0]=4 1239 B11R0.155 CCCCCC(C)C(=O)COC 1458a_100000210968_200011218191 [0,2,0,0,0,0|2,0,0]=4 1240 B11R0.155 CCOC(=O)C(C)OCCCN 34a_100000182051_100011216346 [0,2,0,0,0,0|2,0,0]=4 1241 B11R0.155 CCOC(=O)C(F)OCCCN 34a_100000182051_100000760018 [0,2,0,0,0,0|2,0,0]=4 1242 B9R1.6 CC(=O)C1CCCCC1 1458a_100000070787_100000210327 [1,0,0,1,0,0|2,0,0]=4 1243 B9R1.6 CC(=O)C1CCCCC1 1458a_100000210647_200000210301 [1,0,0,1,0,0|2,0,0]=4 1244 B9R1.6 CC(=O)C1CCCCO1 1458a_100000748299_200000210301 [1,0,0,1,0,0|2,0,0]=4 1245 B9R1.6 [13CH3]C(=O)C1CCCCC1 1458a_100000210647_200025704644 [1,0,0,1,0,0|2,0,0]=4 1246 B9R1.6 [13CH3]C(=O)C1CCCCO1 1458a_100000748299_200025704644 [1,0,0,1,0,0|2,0,0]=4 1247 B9R1.13 CC(=O)CC1CCCC1 1458a_100000070787_100000740388 [1,0,0,1,0,0|2,0,0]=4 1248 B9R1.13 CC(=O)CC1CCCC1 1458a_100000210891_200000210301 [1,0,0,1,0,0|2,0,0]=4 1249 B9R1.13 CC(=O)CC1CCCO1 1458a_100000070787_100000203698 [1,0,0,1,0,0|2,0,0]=4 1250 B9R1.13 [13CH3]C(=O)CC1CCCC1 1458a_100000210891_200025704644 [1,0,0,1,0,0|2,0,0]=4 1251 B9R1.41 CC(=O)C1CCCC1C 1458a_100000690547_200000210301 [1,0,0,1,0,0|2,0,0]=4 1252 B9R1.41 CC1CCCC1C(=O)[13CH3] 1458a_100000690547_200025704644 [1,0,0,1,0,0|2,0,0]=4 1253 B9R1.41 CN1CCC[C@H]1C(=O)O 269956a_100000743916_200000210301 [1,0,0,1,0,0|2,0,0]=4 1254 B9R1.41 [13CH3]N1CCC[C@H]1C(=O)O 269956a_100000743916_200025704644 [1,0,0,1,0,0|2,0,0]=4 1255 B9R1.84 O=C(O)CNC1CCC1 269956a_100016091260_100000749161 [1,0,0,1,0,0|2,0,0]=4 1256 B9R1.85 CC(=O)CCCC1CO1 1458a_100000070787_100000733510 [1,0,0,1,0,0|2,0,0]=4 1257 B9R1.85 O=C(O)CNCC1CC1 269956a_100016091260_100000742324 [1,0,0,1,0,0|2,0,0]=4 1258 B9R1.85 O=C(O)CNCC1CO1 269956a_100016091260_102125554688 [1,0,0,1,0,0|2,0,0]=4 1259 B9R1.85 O=C(O)CNCC1CS1 269956a_100016091260_100000031435 [1,0,0,1,0,0|2,0,0]=4 1260 B9R1.85 O=C(O)CNC[C@@H]1CO1 269956a_100016091260_100000745022 [1,0,0,1,0,0|2,0,0]=4 1261 B9R1.96 CCN1CCC1C(=O)O 269956a_100000021838_100000210202 [1,0,0,1,0,0|2,0,0]=4 1262 B9R1.96 O=C(O)C1CCN1CF 269956a_100000021838_100015361967 [1,0,0,1,0,0|2,0,0]=4 1263 B9R1.95 CN[C@H]1C[C@H](C1)C(=O)O 269956a_100000738708_200000210301 [1,0,0,1,0,0|2,0,0]=4 1264 B9R1.95 [13CH3]N[C@H]1C[C@H](C1)C(=O)O 269956a_100000738708_200025704644 [1,0,0,1,0,0|2,0,0]=4 1265 B9R1.112 C[C@H](NC1CC1)C(=O)O 269956a_100000743915_100000211595 [1,0,0,1,0,0|2,0,0]=4 1266 B9R1.163 CC(=O)C1(CCCC1)C 1458a_100000239728_200000210301 [1,0,0,1,0,0|2,0,0]=4 1267 B9R1.163 CC(=O)C1(CCCC1)O 1458a_100000242637_200000210301 [1,0,0,1,0,0|2,0,0]=4 1268 B9R1.163 CC1(CCCC1)C(=O)[13CH3] 1458a_100000239728_200025704644 [1,0,0,1,0,0|2,0,0]=4 1269 B9R1.163 [13CH3]C(=O)C1(CCCC1)O 1458a_100000242637_200025704644 [1,0,0,1,0,0|2,0,0]=4 1270 B11R1.27 NCCCOC1COC(=O)O1 34a_100000182051_100000032252 [0,0,0,1,0,1|2,0,0]=4 1271 B11R1.27 NCCOCC1COC(=O)O1 34a_100000210304_100000073702 [0,0,0,1,0,1|2,0,0]=4 1272 B11R1.27 NCCOC[C@H]1COC(=O)N1 34a_100000210304_100015307671 [0,0,0,1,0,1|2,0,0]=4 1273 B11R1.35 C[C@H](NC1CCCC1)C(=O)O 269956a_100000743915_100000179811 [0,1,0,1,0,0|2,0,0]=4 1274 B11R1.124 CCN[C@H]1CC[C@H](C1)C(=O)O 269956a_100015195206_100000210202 [0,1,0,1,0,0|2,0,0]=4 1275 B11R1.124 O=C(O)[C@@H]1CC[C@@H](C1)NCF 269956a_100015195206_100015361967 [0,1,0,1,0,0|2,0,0]=4 1276 B11R1.190 NCCCCOC1CCC1=O 34a_100000750430_100009892977 [0,1,0,1,0,0|2,0,0]=4 1277 B11R1.211 CCCN[C@H]1C[C@H](C1)C(=O)O 269956a_100000738708_100000210207 [0,1,0,1,0,0|2,0,0]=4 1278 B11R1.211 O=C(O)[C@H]1C[C@H](C1)NCCF 269956a_100000738708_100011217306 [0,1,0,1,0,0|2,0,0]=4 1279 B11R1.211 O=C(O)[C@H]1C[C@H](C1)NCCO 269956a_100000738708_100000211926 [0,1,0,1,0,0|2,0,0]=4 1280 B11R1.266 CNC1CCCC(C1)C(=O)N 2230a_100000749473_200000210301 [0,1,0,1,0,0|2,0,0]=4 1281 B11R1.266 CNC1CCCC(C1)C(=O)N 34a_100000749473_200000210301 [0,1,0,1,0,0|2,0,0]=4 1282 B11R1.266 CNC1CCCC(C1)C(=O)O 269956a_100011216634_200000210301 [0,1,0,1,0,0|1,0,0]=3 1283 B11R1.266 [13CH3]NC1CCCC(C1)C(=O)N 2230a_100000749473_200025704644 [0,1,0,1,0,0|2,0,0]=4 1284 B11R1.266 [13CH3]NC1CCCC(C1)C(=O)N 34a_100000749473_200025704644 [0,1,0,1,0,0|2,0,0]=4 1285 B11R1.266 [13CH3]NC1CCCC(C1)C(=O)O 269956a_100011216634_200025704644 [0,1,0,1,0,0|1,0,0]=3 1286 B11R1.332 CC(CNC1CCC1)C(=O)O 269956a_100000749485_100000749161 [0,1,0,1,0,0|2,0,0]=4 1287 B11R1.332 C[C@H](NCC1CCC1)C(=O)O 269956a_100000743915_100000763275 [0,1,0,1,0,0|2,0,0]=4 1288 B11R1.332 C[C@H](NCC1CCO1)C(=O)O 269956a_100000743915_100000103362 [0,1,0,1,0,0|2,0,0]=4 1289 B11R1.332 NC(=O)[C@@H](N)COC1CCC1 34a_100000729942_100000749161 [0,1,0,1,0,0|2,0,0]=4 1290 B11R1.332 O=C(O)C(F)CNC1CCC1 269956a_100000084737_100000749161 [0,1,0,1,0,0|2,0,0]=4 1291 B11R1.333 CC(CNCC1CC1)C(=O)O 269956a_100000749485_100000742324 [0,1,0,1,0,0|2,0,0]=4 1292 B11R1.333 CC(CNCC1CO1)C(=O)O 269956a_100000749485_102125554688 [0,1,0,1,0,0|2,0,0]=4 1293 B11R1.333 CC(CNCC1CS1)C(=O)O 269956a_100000749485_100000031435 [0,1,0,1,0,0|2,0,0]=4 1294 B11R1.333 CC(CNC[C@@H]1CO1)C(=O)O 269956a_100000749485_100000745022 [0,1,0,1,0,0|2,0,0]=4 1295 B11R1.333 C[C@H](NCCC1CC1)C(=O)O 269956a_100000743915_100000694398 [0,1,0,1,0,0|2,0,0]=4 1296 B11R1.333 C[C@H](NCCC1CO1)C(=O)O 269956a_100000743915_100000732470 [0,1,0,1,0,0|2,0,0]=4 1297 B11R1.333 NC(=O)[C@@H](N)COCC1CC1 34a_100000729942_100000742324 [0,1,0,1,0,0|2,0,0]=4 1298 B11R1.333 NC(=O)[C@@H](N)COCC1CO1 34a_100000729942_102125554688 [0,1,0,1,0,0|2,0,0]=4 1299 B11R1.333 O=C(O)C(F)CNCC1CC1 269956a_100000084737_100000742324 [0,1,0,1,0,0|2,0,0]=4 1300 B11R1.333 O=C(O)C(F)CNCC1CO1 269956a_100000084737_102125554688 [0,1,0,1,0,0|2,0,0]=4 1301 B11R1.333 O=C(O)C(F)CNCC1CS1 269956a_100000084737_100000031435 [0,1,0,1,0,0|2,0,0]=4 1302 B11R1.333 O=C(O)C(F)CNC[C@@H]1CO1 269956a_100000084737_100000745022 [0,1,0,1,0,0|2,0,0]=4 1303 B11R1.421 CCN1CCC[C@@]1(C)C(=O)O 269956a_100009816582_100000210202 [0,1,0,1,0,0|2,0,0]=4 1304 B11R1.421 C[C@]1(CCCN1CF)C(=O)O 269956a_100009816582_100015361967 [0,1,0,1,0,0|2,0,0]=4 1305 B11R1.520 CC1(CCCCN1[13CH3])C(=O)O 269956a_100000698061_200025704644 [0,1,0,1,0,0|1,0,0]=3 1306 B11R1.520 CN1CCCCC1(C)C(=O)O 269956a_100000698061_200000210301 [0,1,0,1,0,0|1,0,0]=3 1307 B11R1.180 NCCCOC1CCOC1=O 34a_100000182051_100000211211 [0,1,0,1,0,0|2,0,0]=4 1308 B11R1.294 COC(=O)[C@H](N)COC1CC1 34a_100000003586_100000211595 [0,1,0,1,0,0|2,0,0]=4 1309 B11R1.852 O=C(CO)C1CCCCCC1 1458a_100000210174_100011217769 [0,1,0,1,0,0|2,0,0]=4 1310 B11R1.159 CC1CCCC(N1C)C(=O)O 269956a_100000704260_200000210301 [0,1,0,1,0,0|1,0,0]=3 1311 B11R1.159 CC1CCCC(N1[13CH3])C(=O)O 269956a_100000704260_200025704644 [0,1,0,1,0,0|1,0,0]=3 1312 B11R1.298 CN[C@H](C(=O)O)C1CCCC1 269956a_100012017156_200000210301 [0,1,0,1,0,0|1,0,0]=3 1313 B11R1.298 [13CH3]N[C@H](C(=O)O)C1CCCC1 269956a_100012017156_200025704644 [0,1,0,1,0,0|1,0,0]=3 1314 B11R1.473 CCC1SCC(N1C)C(=O)O 269956a_200025741920_200000210301 [0,1,0,1,0,0|2,0,0]=4 1315 B11R1.473 CCC1SCC(N1[13CH3])C(=O)O 269956a_200025741920_200025704644 [0,1,0,1,0,0|2,0,0]=4 1316 B11R1.1074 CNC1(CCCCC1)C(=O)N 2230a_100000746659_200000210301 [0,1,0,1,0,0|2,0,0]=4 1317 B11R1.1074 CNC1(CCCCC1)C(=O)N 34a_100000746659_200000210301 [0,1,0,1,0,0|2,0,0]=4 1318 B11R1.1074 CNC1(CCCCC1)C(=O)O 269956a_100000185090_200000210301 [0,1,0,1,0,0|1,0,0]=3 1319 B11R1.1074 CNC1(CCOCC1)C(=O)O 269956a_100015194771_200000210301 [0,1,0,1,0,0|2,0,0]=4 1320 B11R1.1074 [13CH3]NC1(CCCCC1)C(=O)N 2230a_100000746659_200025704644 [0,1,0,1,0,0|2,0,0]=4 1321 B11R1.1074 [13CH3]NC1(CCCCC1)C(=O)N 34a_100000746659_200025704644 [0,1,0,1,0,0|2,0,0]=4 1322 B11R1.1074 [13CH3]NC1(CCCCC1)C(=O)O 269956a_100000185090_200025704644 [0,1,0,1,0,0|1,0,0]=3 1323 B11R1.1074 [13CH3]NC1(CCOCC1)C(=O)O 269956a_100015194771_200025704644 [0,1,0,1,0,0|2,0,0]=4 1324 B11R0.46 CCCCCC(C)NCC(=O)O 269956a_100016091260_200011218191 [0,0,0,0,0,2|2,0,0]=4