0 B9R0.47 C#CCCNC(C)C(=O)N 34a_100000755551_100000702099 [0,0,0,0,0,0|2,0,2]=4 1 B9R0.47 C#CCCN[C@@H](C)C(=O)O 269956a_100000743915_100000688953 [0,0,0,0,0,0|1,0,2]=3 2 B9R0.47 C#CCCN[C@H](C)C(=O)N 2230a_100000119354_100000688953 [0,0,0,0,0,0|2,0,2]=4 3 B9R0.47 C#CCCN[C@H](C)C(=O)N 34a_100000119354_100000688953 [0,0,0,0,0,0|2,0,2]=4 4 B9R0.47 C#CCCOC(C)C(=O)C 34a_100000212229_100000688953 [0,0,0,0,0,0|2,0,2]=4 5 B9R0.47 C#CCCOC(C)C(=O)N 34a_100011215631_100000702099 [0,0,0,0,0,0|2,0,2]=4 6 B9R0.47 C#CCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000688953 [0,0,0,0,0,0|1,0,3]=4 7 B9R0.47 C#CCCO[C@H](C)C(=O)N 34a_100000731257_100000688953 [0,0,0,0,0,0|2,0,2]=4 8 B9R0.47 C#CCCO[C@H](C)C(=O)N 7a_100000731257_100000688953 [0,0,0,0,0,0|2,0,2]=4 9 B9R0.47 C#CCCSC(C)C(=O)C 62a_100000688953_100009814033 [0,0,0,0,0,0|2,0,2]=4 10 B9R0.47 C#CCCSC(C)C(=O)C 62a_100009814033_100000688953 [0,0,0,0,0,0|2,0,2]=4 11 B9R0.47 C#CCCSC(C)C(=O)N 62a_100000688953_100000702099 [0,0,0,0,0,0|2,0,2]=4 12 B9R0.47 C#CCCSC(C)C(=O)N 62a_100000702099_100000688953 [0,0,0,0,0,0|2,0,2]=4 13 B9R0.47 C#CCNCC(C)C(=O)O 269956a_100000749485_100000184674 [0,0,0,0,0,0|1,0,2]=3 14 B9R0.47 C#CCNCC(F)C(=O)O 269956a_100000084737_100000184674 [0,0,0,0,0,0|2,0,2]=4 15 B9R0.47 C#CCOCC(C)C(=O)C 34a_100000032740_100000184674 [0,0,0,0,0,0|2,0,2]=4 16 B9R0.47 C#CCOCC(C)C(=O)C 7a_100000032740_100000038162 [0,0,0,0,0,0|2,0,2]=4 17 B9R0.47 C/C=C/CN[C@@H](C)C(=O)O 269956a_100000743915_100102629194 [0,0,0,0,0,0|1,0,2]=3 18 B9R0.47 C/C=C/CN[C@H](C)C(=O)N 34a_100000119354_100102629194 [0,0,0,0,0,0|2,0,2]=4 19 B9R0.47 C/C=C/COC(C)C(=O)C 34a_100000212229_100102629194 [0,0,0,0,0,0|2,0,2]=4 20 B9R0.47 C/C=C/COC(C)C(=O)N 34a_100016270725_100000702099 [0,0,0,0,0,0|2,0,2]=4 21 B9R0.47 C/C=C/CO[C@@H](C)C(=O)[O-] 7a_217856618621_100102629194 [0,0,0,0,0,0|1,0,3]=4 22 B9R0.47 C/C=C/CO[C@H](C)C(=O)N 34a_100000731257_100102629194 [0,0,0,0,0,0|2,0,2]=4 23 B9R0.47 C/C=C/CO[C@H](C)C(=O)N 7a_100000731257_100102629194 [0,0,0,0,0,0|2,0,2]=4 24 B9R0.47 C/C=C/CSC(C)C(=O)C 62a_100009814033_100102629194 [0,0,0,0,0,0|2,0,2]=4 25 B9R0.47 C/C=C/CSC(C)C(=O)C 62a_100102629194_100009814033 [0,0,0,0,0,0|2,0,2]=4 26 B9R0.47 C/C=C/CSC(C)C(=O)N 62a_100000702099_100102629194 [0,0,0,0,0,0|2,0,2]=4 27 B9R0.47 C/C=C/CSC(C)C(=O)N 62a_100102629194_100000702099 [0,0,0,0,0,0|2,0,2]=4 28 B9R0.47 C=C(C)C(=O)CCCCC 1458a_100000185857_100000210326 [0,0,0,0,0,0|3,0,1]=4 29 B9R0.47 C=C(C)C(C)NCCCC 269862a_100000102301_100011216138 [0,0,0,0,0,0|3,0,0]=3 30 B9R0.47 C=C(C)C(C)NCCCF 269862a_100015189416_100011216138 [0,0,0,0,0,0|4,0,0]=4 31 B9R0.47 C=C(C)C(C)NCCCO 269862a_100000182051_100011216138 [0,0,0,0,0,0|4,0,0]=4 32 B9R0.47 C=C(C)C(C)NCCOC 269862a_100000209980_100011216138 [0,0,0,0,0,0|4,0,0]=4 33 B9R0.47 C=C(C)C(C)NCCSC 269862a_100020590264_100011216138 [0,0,0,0,0,0|4,0,0]=4 34 B9R0.47 C=CCCNC(C)C(=O)C 2230a_100015191253_100009814033 [0,0,0,0,0,0|2,0,2]=4 35 B9R0.47 C=CCCNC(C)C(=O)N 2230a_100015191253_100000702099 [0,0,0,0,0,0|2,0,2]=4 36 B9R0.47 C=CCCN[C@@H](C)C(=O)O 269956a_100000743915_100000754431 [0,0,0,0,0,0|1,0,2]=3 37 B9R0.47 C=CCCN[C@H](C)C(=O)N 2230a_100000119354_100000754431 [0,0,0,0,0,0|2,0,2]=4 38 B9R0.47 C=CCCN[C@H](C)C(=O)N 34a_100000119354_100000754431 [0,0,0,0,0,0|2,0,2]=4 39 B9R0.47 C=CCCOC(C)C(=O)C 34a_100000212229_100000754431 [0,0,0,0,0,0|2,0,2]=4 40 B9R0.47 C=CCCOC(C)C(=O)N 34a_100011205117_100000702099 [0,0,0,0,0,0|2,0,2]=4 41 B9R0.47 C=CCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000754431 [0,0,0,0,0,0|1,0,3]=4 42 B9R0.47 C=CCCO[C@H](C)C(=O)N 34a_100000731257_100000754431 [0,0,0,0,0,0|2,0,2]=4 43 B9R0.47 C=CCCO[C@H](C)C(=O)N 7a_100000731257_100000754431 [0,0,0,0,0,0|2,0,2]=4 44 B9R0.47 C=CCCSC(C)C(=O)C 62a_100000754431_100009814033 [0,0,0,0,0,0|2,0,2]=4 45 B9R0.47 C=CCCSC(C)C(=O)C 62a_100009814033_100000754431 [0,0,0,0,0,0|2,0,2]=4 46 B9R0.47 C=CCCSC(C)C(=O)N 62a_100000702099_100000754431 [0,0,0,0,0,0|2,0,2]=4 47 B9R0.47 C=CCCSC(C)C(=O)N 62a_100000754431_100000702099 [0,0,0,0,0,0|2,0,2]=4 48 B9R0.47 C=CCNCC(C)C(=O)O 269956a_100000749485_100000210623 [0,0,0,0,0,0|1,0,2]=3 49 B9R0.47 C=CCNCC(F)C(=O)O 269956a_100000084737_100000210623 [0,0,0,0,0,0|2,0,2]=4 50 B9R0.47 C=CCOCC(C)C(=O)C 34a_100000032740_100015514636 [0,0,0,0,0,0|2,0,2]=4 51 B9R0.47 C=CCOCC(C)C(=O)C 7a_100000032740_100015514636 [0,0,0,0,0,0|2,0,2]=4 52 B9R0.47 CC#CCNC(C)C(=O)C 2230a_100000685387_100009814033 [0,0,0,0,0,0|2,0,2]=4 53 B9R0.47 CC#CCNC(C)C(=O)N 2230a_100000685387_100000702099 [0,0,0,0,0,0|2,0,2]=4 54 B9R0.47 CC#CCNC(C)C(=O)N 34a_100000685387_100000702099 [0,0,0,0,0,0|2,0,2]=4 55 B9R0.47 CC#CCN[C@@H](C)C(=O)O 269956a_100000743915_100000748600 [0,0,0,0,0,0|1,0,2]=3 56 B9R0.47 CC#CCN[C@H](C)C(=O)N 2230a_100000119354_100000748600 [0,0,0,0,0,0|2,0,2]=4 57 B9R0.47 CC#CCN[C@H](C)C(=O)N 34a_100000119354_100000748600 [0,0,0,0,0,0|2,0,2]=4 58 B9R0.47 CC#CCOC(C)C(=O)C 34a_100000212229_100000748600 [0,0,0,0,0,0|2,0,2]=4 59 B9R0.47 CC#CCOC(C)C(=O)N 34a_100000761923_100000702099 [0,0,0,0,0,0|2,0,2]=4 60 B9R0.47 CC#CCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000748600 [0,0,0,0,0,0|1,0,3]=4 61 B9R0.47 CC#CCO[C@H](C)C(=O)N 34a_100000731257_100000748600 [0,0,0,0,0,0|2,0,2]=4 62 B9R0.47 CC#CCO[C@H](C)C(=O)N 7a_100000731257_100000748600 [0,0,0,0,0,0|2,0,2]=4 63 B9R0.47 CC#CCSC(C)C(=O)C 62a_100000748600_100009814033 [0,0,0,0,0,0|2,0,2]=4 64 B9R0.47 CC#CCSC(C)C(=O)C 62a_100009814033_100000748600 [0,0,0,0,0,0|2,0,2]=4 65 B9R0.47 CC#CCSC(C)C(=O)N 62a_100000702099_100000748600 [0,0,0,0,0,0|2,0,2]=4 66 B9R0.47 CC#CCSC(C)C(=O)N 62a_100000748600_100000702099 [0,0,0,0,0,0|2,0,2]=4 67 B9R0.47 CC(=O)C(C)COCC#N 7a_100000032740_100011215382 [0,0,0,0,0,0|3,0,1]=4 68 B9R0.47 CC(=O)C(C)COCC=O 34a_100000032740_200009817547 [0,0,0,0,0,0|3,0,1]=4 69 B9R0.47 CC(=O)C(C)COCC=O 7a_100000032740_200015260668 [0,0,0,0,0,0|3,0,1]=4 70 B9R0.47 CC(=O)C(C)COCCF 34a_100000032740_100011217306 [0,0,0,0,0,0|3,0,0]=3 71 B9R0.47 CC(=O)C(C)COCCF 7a_100000032740_100011217306 [0,0,0,0,0,0|3,0,0]=3 72 B9R0.47 CC(=O)C(C)COCCO 34a_100000032740_100000211926 [0,0,0,0,0,0|3,0,0]=3 73 B9R0.47 CC(=O)C(C)COCCO 7a_100000032740_100000211926 [0,0,0,0,0,0|3,0,0]=3 74 B9R0.47 CC(=O)C(C)NCCCF 2230a_100015189416_100009814033 [0,0,0,0,0,0|3,0,0]=3 75 B9R0.47 CC(=O)C(C)OCCCF 34a_100000212229_100011934791 [0,0,0,0,0,0|3,0,0]=3 76 B9R0.47 CC(=O)C(C)OCCCO 34a_100000212229_100000230001 [0,0,0,0,0,0|3,0,0]=3 77 B9R0.47 CC(=O)C(C)SCCC#N 62a_100009814033_100011215226 [0,0,0,0,0,0|3,0,1]=4 78 B9R0.47 CC(=O)C(C)SCCC#N 62a_100011215226_100009814033 [0,0,0,0,0,0|3,0,1]=4 79 B9R0.47 CC(=O)C(C)SCCCF 62a_100009814033_100011934791 [0,0,0,0,0,0|3,0,0]=3 80 B9R0.47 CC(=O)C(C)SCCCF 62a_100011934791_100009814033 [0,0,0,0,0,0|3,0,0]=3 81 B9R0.47 CC(=O)C(C)SCCCO 62a_100009814033_100011215043 [0,0,0,0,0,0|3,0,0]=3 82 B9R0.47 CC(=O)C(C)SCCCO 62a_100011215043_100009814033 [0,0,0,0,0,0|3,0,0]=3 83 B9R0.47 CC(=O)N(C)CCCCO 240690a_100000717598_100015343762 [0,0,0,0,0,0|3,0,0]=3 84 B9R0.47 CC(CNCC#N)C(=O)O 269956a_100000749485_100011215382 [0,0,0,0,0,0|2,0,1]=3 85 B9R0.47 CC(CNCC=O)C(=O)O 269956a_100000749485_200015260668 [0,0,0,0,0,0|2,0,1]=3 86 B9R0.47 CC(CNCCF)C(=O)O 269956a_100000749485_100011217306 [0,0,0,0,0,0|2,0,0]=2 87 B9R0.47 CC(CNCCO)C(=O)O 269956a_100000749485_100000211926 [0,0,0,0,0,0|2,0,0]=2 88 B9R0.47 CC(COCCF)[N+](=O)[O-] 34a_100000039676_100011217306 [0,0,0,0,0,0|3,0,1]=4 89 B9R0.47 CC(COCCF)[N+](=O)[O-] 7a_100000039676_100011217306 [0,0,0,0,0,0|3,0,1]=4 90 B9R0.47 CC(COCCO)[N+](=O)[O-] 34a_100000039676_100000211926 [0,0,0,0,0,0|3,0,1]=4 91 B9R0.47 CC(COCCO)[N+](=O)[O-] 7a_100000039676_100000211926 [0,0,0,0,0,0|3,0,1]=4 92 B9R0.47 CC(NCCCF)C(=O)N 2230a_100015189416_100000702099 [0,0,0,0,0,0|3,0,0]=3 93 B9R0.47 CC(NCCCF)C(=O)N 34a_100015189416_100000702099 [0,0,0,0,0,0|3,0,0]=3 94 B9R0.47 CC(OCCCBr)C(=O)N 34a_100011217188_100000702099 [0,0,0,0,0,0|3,0,0]=3 95 B9R0.47 CC(OCCCCl)C(=O)N 34a_100000230001_100000702099 [0,0,0,0,0,0|3,0,0]=3 96 B9R0.47 CC(OCCCF)C(=O)N 34a_100000759539_100000702099 [0,0,0,0,0,0|3,0,0]=3 97 B9R0.47 CC(OCCCN)C(=O)N 34a_100000182051_100000702099 [0,0,0,0,0,0|3,0,0]=3 98 B9R0.47 CC(OCCON)C(=O)N 34a_100000700252_100000702099 [0,0,0,0,0,0|4,0,0]=4 99 B9R0.47 CC(SCCC#N)C(=O)N 62a_100000702099_100011215226 [0,0,0,0,0,0|3,0,1]=4 100 B9R0.47 CC(SCCC#N)C(=O)N 62a_100011215226_100000702099 [0,0,0,0,0,0|3,0,1]=4 101 B9R0.47 CC(SCCCF)C(=O)N 62a_100000702099_100011934791 [0,0,0,0,0,0|3,0,0]=3 102 B9R0.47 CC(SCCCF)C(=O)N 62a_100011934791_100000702099 [0,0,0,0,0,0|3,0,0]=3 103 B9R0.47 CC(SCCCO)C(=O)N 62a_100000702099_100011215043 [0,0,0,0,0,0|3,0,0]=3 104 B9R0.47 CC(SCCCO)C(=O)N 62a_100011215043_100000702099 [0,0,0,0,0,0|3,0,0]=3 105 B9R0.47 CC=CCN[C@H](C)C(=O)N 2230a_100000119354_100000070051 [0,0,0,0,0,0|2,0,2]=4 106 B9R0.47 CC=CCN[C@H](C)C(=O)N 34a_100000119354_100000070051 [0,0,0,0,0,0|2,0,2]=4 107 B9R0.47 CC=CCOC(C)C(=O)C 34a_100000212229_100000070051 [0,0,0,0,0,0|2,0,2]=4 108 B9R0.47 CC=CCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000070051 [0,0,0,0,0,0|1,0,3]=4 109 B9R0.47 CC=CCO[C@H](C)C(=O)N 34a_100000731257_100000070051 [0,0,0,0,0,0|2,0,2]=4 110 B9R0.47 CC=CCO[C@H](C)C(=O)N 7a_100000731257_100000070051 [0,0,0,0,0,0|2,0,2]=4 111 B9R0.47 CC=CCSC(C)C(=O)C 62a_100000070051_100009814033 [0,0,0,0,0,0|2,0,2]=4 112 B9R0.47 CC=CCSC(C)C(=O)C 62a_100009814033_100000070051 [0,0,0,0,0,0|2,0,2]=4 113 B9R0.47 CC=CCSC(C)C(=O)N 62a_100000070051_100000702099 [0,0,0,0,0,0|2,0,2]=4 114 B9R0.47 CC=CCSC(C)C(=O)N 62a_100000702099_100000070051 [0,0,0,0,0,0|2,0,2]=4 115 B9R0.47 CCCCCC(=O)C(O)O 1458a_100000233687_100000210326 [0,0,0,0,0,0|1,0,3]=4 116 B9R0.47 CCCCCC(=O)[C@@H](C)O 1458a_100000717761_100000210326 [0,0,0,0,0,0|2,0,2]=4 117 B9R0.47 CCCCCC(=O)[C@H](C)O 1458a_217856618621_100000210326 [0,0,0,0,0,0|2,0,2]=4 118 B9R0.47 CCCCCC(C)C(=O)C 1458a_100000070787_200011218191 [0,0,0,0,0,0|1,0,0]=1 119 B9R0.47 CCCCCC(C)C(=O)C 1458a_100011215998_200000210301 [0,0,0,0,0,0|1,0,0]=1 120 B9R0.47 CCCCCC(C)C(=O)[13CH3] 1458a_100011215998_200025704644 [0,0,0,0,0,0|1,0,0]=1 121 B9R0.47 CCCCCC(C)N(C)C 2230a_100102631434_200011218191 [0,0,0,0,0,0|3,0,0]=3 122 B9R0.47 CCCCCC(C)N(C)C 269982a_100102631434_200011218191 [0,0,0,0,0,0|3,0,0]=3 123 B9R0.47 CCCCCC(C)N(C)C 270004a_100102631434_100000211708 [0,0,0,0,0,0|3,0,0]=3 124 B9R0.47 CCCCCN(C)C(=O)C 11a_100000223495_100015343762 [0,0,0,0,0,0|2,0,0]=2 125 B9R0.47 CCCCCN(C)C(=O)C 1626a_100000223495_100015343762 [0,0,0,0,0,0|2,0,0]=2 126 B9R0.47 CCCCCN(C)C(=O)C 240690a_100000223495_100015343762 [0,0,0,0,0,0|2,0,0]=2 127 B9R0.47 CCCCCN(C)C(=O)C 527a_100000223495_100103153847 [0,0,0,0,0,0|2,0,0]=2 128 B9R0.47 CCCCCN(C)C(C)C 2230a_100000223495_100000210206 [0,0,0,0,0,0|3,0,1]=4 129 B9R0.47 CCCCCN(C)C(C)C 2230a_100000223497_200000210301 [0,0,0,0,0,0|3,0,1]=4 130 B9R0.47 CCCCCN(C)C(C)C 269982a_100000223495_100000210206 [0,0,0,0,0,0|3,0,1]=4 131 B9R0.47 CCCCCN(C)C(C)C 269982a_100000223497_200000210301 [0,0,0,0,0,0|3,0,1]=4 132 B9R0.47 CCCCCN(C)C(C)C 269982a_200000211004_100000210215 [0,0,0,0,0,0|3,0,1]=4 133 B9R0.47 CCCCCN([13CH3])C(C)C 2230a_100000223497_200025704644 [0,0,0,0,0,0|3,0,1]=4 134 B9R0.47 CCCCCN([13CH3])C(C)C 269982a_100000223497_200025704644 [0,0,0,0,0,0|3,0,1]=4 135 B9R0.47 CCCCNC(=O)C(=O)N 240690a_100000102301_100011215815 [0,0,0,0,0,0|3,0,1]=4 136 B9R0.47 CCCCNC(C)C(=O)C 2230a_100000102301_100009814033 [0,0,0,0,0,0|2,0,0]=2 137 B9R0.47 CCCCNC(C)C(=O)C 7a_106832991798_100000179758 [0,0,0,0,0,0|2,0,0]=2 138 B9R0.47 CCCCNC(C)C(=O)N 2230a_100000102301_100000702099 [0,0,0,0,0,0|2,0,0]=2 139 B9R0.47 CCCCNC(C)C(=O)N 7a_106832991798_100000702099 [0,0,0,0,0,0|2,0,0]=2 140 B9R0.47 CCCCNC(C)C(C)C 2230a_100000211541_100000210211 [0,0,0,0,0,0|3,0,1]=4 141 B9R0.47 CCCCNC(F)C(=O)N 2230a_100000102301_100009813875 [0,0,0,0,0,0|3,0,0]=3 142 B9R0.47 CCCCNC(F)C(=O)N 7a_106832991798_100009813875 [0,0,0,0,0,0|3,0,0]=3 143 B9R0.47 CCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210211 [0,0,0,0,0,0|1,0,0]=1 144 B9R0.47 CCCCN[C@H](C)C(=O)N 2230a_100000119354_100000210211 [0,0,0,0,0,0|2,0,0]=2 145 B9R0.47 CCCCN[C@H](C)C(=O)N 34a_100000119354_100000210210 [0,0,0,0,0,0|2,0,0]=2 146 B9R0.47 CCCCOC(C)C(=O)C 34a_100000212229_100000210210 [0,0,0,0,0,0|2,0,0]=2 147 B9R0.47 CCCCOC(C)C(=O)C 7a_100000210227_100000179758 [0,0,0,0,0,0|2,0,0]=2 148 B9R0.47 CCCCOC(C)C(=O)N 34a_100000210227_100000702099 [0,0,0,0,0,0|2,0,0]=2 149 B9R0.47 CCCCOC(C)C(=O)N 7a_100000210227_100000702099 [0,0,0,0,0,0|2,0,0]=2 150 B9R0.47 CCCCOC(C)C(C)C 7a_100000748068_100000210211 [0,0,0,0,0,0|3,0,1]=4 151 B9R0.47 CCCCOC(F)C(=O)N 34a_100000210227_100009813875 [0,0,0,0,0,0|3,0,0]=3 152 B9R0.47 CCCCOC(F)C(=O)N 7a_100000210227_100009813875 [0,0,0,0,0,0|3,0,0]=3 153 B9R0.47 CCCCOC(F)C(=O)[O-] 34a_100000210227_100020610796 [0,0,0,0,0,0|2,0,1]=3 154 B9R0.47 CCCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210211 [0,0,0,0,0,0|1,0,1]=2 155 B9R0.47 CCCCO[C@H](C)C(=O)N 34a_100000731257_100000210210 [0,0,0,0,0,0|2,0,0]=2 156 B9R0.47 CCCCO[C@H](C)C(=O)N 7a_100000731257_100000210211 [0,0,0,0,0,0|2,0,0]=2 157 B9R0.47 CCCCSC(C)C(=O)C 1458a_100000191163_200000210301 [0,0,0,0,0,0|2,0,0]=2 158 B9R0.47 CCCCSC(C)C(=O)C 62a_100000210211_100009814033 [0,0,0,0,0,0|2,0,0]=2 159 B9R0.47 CCCCSC(C)C(=O)C 62a_100009814033_100000210210 [0,0,0,0,0,0|2,0,0]=2 160 B9R0.47 CCCCSC(C)C(=O)N 62a_100000210211_100000702099 [0,0,0,0,0,0|2,0,0]=2 161 B9R0.47 CCCCSC(C)C(=O)N 62a_100000702099_100000210210 [0,0,0,0,0,0|2,0,0]=2 162 B9R0.47 CCCCSC(C)C(=O)[13CH3] 1458a_100000191163_200025704644 [0,0,0,0,0,0|2,0,0]=2 163 B9R0.47 CCCCSC(F)C(=O)N 62a_100000210211_100009813875 [0,0,0,0,0,0|3,0,0]=3 164 B9R0.47 CCCCSC(F)C(=O)N 62a_100009813875_100000210210 [0,0,0,0,0,0|3,0,0]=3 165 B9R0.47 CCCCSC(F)C(=O)[O-] 62a_100000210211_100020610796 [0,0,0,0,0,0|2,0,1]=3 166 B9R0.47 CCCCSC(F)C(=O)[O-] 62a_100020610796_100000210210 [0,0,0,0,0,0|2,0,1]=3 167 B9R0.47 CCCNCC(C)C(=O)O 269956a_100000749485_100000210207 [0,0,0,0,0,0|1,0,0]=1 168 B9R0.47 CCCNCC(F)C(=O)O 269956a_100000084737_100000210207 [0,0,0,0,0,0|2,0,0]=2 169 B9R0.47 CCCOCC(=O)C(=O)C 34a_100000210258_100011261029 [0,0,0,0,0,0|3,0,1]=4 170 B9R0.47 CCCOCC(C)C(=O)C 34a_100000032740_100000210303 [0,0,0,0,0,0|2,0,0]=2 171 B9R0.47 CCCOCC(C)C(=O)C 7a_100000032740_100000210303 [0,0,0,0,0,0|2,0,0]=2 172 B9R0.47 CCCOCC(C)[N+](=O)[O-] 34a_100000039676_100000210303 [0,0,0,0,0,0|2,0,1]=3 173 B9R0.47 CCCOCC(C)[N+](=O)[O-] 7a_100000039676_100000210303 [0,0,0,0,0,0|2,0,1]=3 174 B9R0.47 CCCOC[C@H](N)C(=O)N 34a_100000729942_100000210303 [0,0,0,0,0,0|3,0,0]=3 175 B9R0.47 CCCSCC(=O)C(=O)C 62a_100000210303_100011261029 [0,0,0,0,0,0|3,0,1]=4 176 B9R0.47 CCCSCC(=O)C(=O)C 62a_100011261029_100000210303 [0,0,0,0,0,0|3,0,1]=4 177 B9R0.47 CCCSCC(C)N(C)C 270004a_100102631434_100011343953 [0,0,0,0,0,0|4,0,0]=4 178 B9R0.47 CCOCCC(C)N(C)C 270004a_100102631434_200011216536 [0,0,0,0,0,0|4,0,0]=4 179 B9R0.47 CCOCN[C@@H](C)C(=O)O 269956a_100000743915_100000739092 [0,0,0,0,0,0|2,0,0]=2 180 B9R0.47 CCOCSC(C)C(=O)C 62a_100000739092_100009814033 [0,0,0,0,0,0|3,0,0]=3 181 B9R0.47 CCOCSC(C)C(=O)C 62a_100009814033_100000739092 [0,0,0,0,0,0|3,0,0]=3 182 B9R0.47 CCOCSC(C)C(=O)N 62a_100000702099_100000739092 [0,0,0,0,0,0|3,0,0]=3 183 B9R0.47 CCOCSC(C)C(=O)N 62a_100000739092_100000702099 [0,0,0,0,0,0|3,0,0]=3 184 B9R0.47 CCOCSC(F)C(=O)N 62a_100000739092_100009813875 [0,0,0,0,0,0|4,0,0]=4 185 B9R0.47 CCOCSC(F)C(=O)N 62a_100009813875_100000739092 [0,0,0,0,0,0|4,0,0]=4 186 B9R0.47 CCOCSC(F)C(=O)[O-] 62a_100000739092_100020610796 [0,0,0,0,0,0|3,0,1]=4 187 B9R0.47 CCOCSC(F)C(=O)[O-] 62a_100020610796_100000739092 [0,0,0,0,0,0|3,0,1]=4 188 B9R0.47 COCCCN(C)C(=O)C 11a_100000224831_100015343762 [0,0,0,0,0,0|3,0,0]=3 189 B9R0.47 COCCCN(C)C(=O)C 1626a_100000224831_100015343762 [0,0,0,0,0,0|3,0,0]=3 190 B9R0.47 COCCCN(C)C(=O)C 240690a_100000224831_100015343762 [0,0,0,0,0,0|3,0,0]=3 191 B9R0.47 COCCCN(C)C(=O)C 527a_100000224831_100103153847 [0,0,0,0,0,0|3,0,0]=3 192 B9R0.47 COCCNC(C)C(=O)C 2230a_100000209980_100009814033 [0,0,0,0,0,0|3,0,0]=3 193 B9R0.47 COCCNC(C)C(=O)N 2230a_100000209980_100000702099 [0,0,0,0,0,0|3,0,0]=3 194 B9R0.47 COCCNC(F)C(=O)N 2230a_100000209980_100009813875 [0,0,0,0,0,0|4,0,0]=4 195 B9R0.47 COCCN[C@@H](C)C(=O)O 269956a_100000743915_100000233755 [0,0,0,0,0,0|2,0,0]=2 196 B9R0.47 COCCN[C@H](C)C(=O)N 2230a_100000119354_100011201679 [0,0,0,0,0,0|3,0,0]=3 197 B9R0.47 COCCN[C@H](C)C(=O)N 34a_100000119354_100011201679 [0,0,0,0,0,0|3,0,0]=3 198 B9R0.47 COCCOC(C)C(=O)C 34a_100000212229_100011201679 [0,0,0,0,0,0|3,0,0]=3 199 B9R0.47 COCCOC(C)C(=O)N 34a_100000210237_100000702099 [0,0,0,0,0,0|3,0,0]=3 200 B9R0.47 COCCOC(F)C(=O)N 34a_100000210237_100009813875 [0,0,0,0,0,0|4,0,0]=4 201 B9R0.47 COCCOC(F)C(=O)[O-] 34a_100000210237_100020610796 [0,0,0,0,0,0|3,0,1]=4 202 B9R0.47 COCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000233755 [0,0,0,0,0,0|2,0,1]=3 203 B9R0.47 COCCO[C@H](C)C(=O)N 34a_100000731257_100011201679 [0,0,0,0,0,0|3,0,0]=3 204 B9R0.47 COCCO[C@H](C)C(=O)N 7a_100000731257_100000233755 [0,0,0,0,0,0|3,0,0]=3 205 B9R0.47 COCCSC(C)C(=O)C 62a_100000233755_100009814033 [0,0,0,0,0,0|3,0,0]=3 206 B9R0.47 COCCSC(C)C(=O)C 62a_100009814033_100000233755 [0,0,0,0,0,0|3,0,0]=3 207 B9R0.47 COCCSC(C)C(=O)N 62a_100000233755_100000702099 [0,0,0,0,0,0|3,0,0]=3 208 B9R0.47 COCCSC(C)C(=O)N 62a_100000702099_100000233755 [0,0,0,0,0,0|3,0,0]=3 209 B9R0.47 COCCSC(F)C(=O)N 62a_100000233755_100009813875 [0,0,0,0,0,0|4,0,0]=4 210 B9R0.47 COCCSC(F)C(=O)N 62a_100009813875_100000233755 [0,0,0,0,0,0|4,0,0]=4 211 B9R0.47 COCCSC(F)C(=O)[O-] 62a_100000233755_100020610796 [0,0,0,0,0,0|3,0,1]=4 212 B9R0.47 COCCSC(F)C(=O)[O-] 62a_100020610796_100000233755 [0,0,0,0,0,0|3,0,1]=4 213 B9R0.47 COCNCC(C)C(=O)O 269956a_100000749485_100000766300 [0,0,0,0,0,0|2,0,0]=2 214 B9R0.47 COCNCC(F)C(=O)O 269956a_100000084737_100000766300 [0,0,0,0,0,0|3,0,0]=3 215 B9R0.47 CSCCCC(C)N(C)C 270004a_100102631434_100011399439 [0,0,0,0,0,0|4,0,0]=4 216 B9R0.47 CSCCNC(C)C(=O)C 2230a_100020590264_100009814033 [0,0,0,0,0,0|3,0,0]=3 217 B9R0.47 CSCCNC(C)C(=O)N 2230a_100020590264_100000702099 [0,0,0,0,0,0|3,0,0]=3 218 B9R0.47 CSCCNC(F)C(=O)N 2230a_100020590264_100009813875 [0,0,0,0,0,0|4,0,0]=4 219 B9R0.47 CSCCN[C@@H](C)C(=O)O 269956a_100000743915_100000212216 [0,0,0,0,0,0|2,0,0]=2 220 B9R0.47 CSCCN[C@H](C)C(=O)N 2230a_100000119354_100000751147 [0,0,0,0,0,0|3,0,0]=3 221 B9R0.47 CSCCN[C@H](C)C(=O)N 34a_100000119354_100000212216 [0,0,0,0,0,0|3,0,0]=3 222 B9R0.47 CSCCOC(C)C(=O)C 34a_100000212229_100000212216 [0,0,0,0,0,0|3,0,0]=3 223 B9R0.47 CSCCOC(C)C(=O)C 7a_100000230434_100000179758 [0,0,0,0,0,0|3,0,0]=3 224 B9R0.47 CSCCOC(C)C(=O)N 34a_100000230434_100000702099 [0,0,0,0,0,0|3,0,0]=3 225 B9R0.47 CSCCOC(C)C(=O)N 7a_100000230434_100000702099 [0,0,0,0,0,0|3,0,0]=3 226 B9R0.47 CSCCOC(F)C(=O)N 34a_100000230434_100009813875 [0,0,0,0,0,0|4,0,0]=4 227 B9R0.47 CSCCOC(F)C(=O)N 7a_100000230434_100009813875 [0,0,0,0,0,0|4,0,0]=4 228 B9R0.47 CSCCOC(F)C(=O)[O-] 34a_100000230434_100020610796 [0,0,0,0,0,0|3,0,1]=4 229 B9R0.47 CSCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000212216 [0,0,0,0,0,0|2,0,1]=3 230 B9R0.47 CSCCO[C@H](C)C(=O)N 34a_100000731257_100000212216 [0,0,0,0,0,0|3,0,0]=3 231 B9R0.47 CSCCO[C@H](C)C(=O)N 7a_100000731257_100000212216 [0,0,0,0,0,0|3,0,0]=3 232 B9R0.47 CSCCSC(C)C(=O)C 62a_100000212216_100009814033 [0,0,0,0,0,0|3,0,0]=3 233 B9R0.47 CSCCSC(C)C(=O)C 62a_100009814033_100000751147 [0,0,0,0,0,0|3,0,0]=3 234 B9R0.47 CSCCSC(C)C(=O)N 62a_100000212216_100000702099 [0,0,0,0,0,0|3,0,0]=3 235 B9R0.47 CSCCSC(C)C(=O)N 62a_100000702099_100000751147 [0,0,0,0,0,0|3,0,0]=3 236 B9R0.47 CSCCSC(F)C(=O)N 62a_100000212216_100009813875 [0,0,0,0,0,0|4,0,0]=4 237 B9R0.47 CSCCSC(F)C(=O)N 62a_100009813875_100000751147 [0,0,0,0,0,0|4,0,0]=4 238 B9R0.47 CSCCSC(F)C(=O)[O-] 62a_100000212216_100020610796 [0,0,0,0,0,0|3,0,1]=4 239 B9R0.47 CSCCSC(F)C(=O)[O-] 62a_100020610796_100000751147 [0,0,0,0,0,0|3,0,1]=4 240 B9R0.47 CSCNCC(C)C(=O)O 269956a_100000749485_100011218213 [0,0,0,0,0,0|2,0,0]=2 241 B9R0.47 CSCNCC(F)C(=O)O 269956a_100000084737_100011218213 [0,0,0,0,0,0|3,0,0]=3 242 B9R0.47 CSCOCC(C)C(=O)C 34a_100000032740_100011218213 [0,0,0,0,0,0|3,0,0]=3 243 B9R0.47 CSCOCC(C)[N+](=O)[O-] 34a_100000039676_100011218213 [0,0,0,0,0,0|3,0,1]=4 244 B9R0.47 CSCOC[C@H](N)C(=O)N 34a_100000729942_100011218213 [0,0,0,0,0,0|4,0,0]=4 245 B9R0.47 C[C@@H](NCCC#N)C(=O)N 2230a_100000119354_100011215226 [0,0,0,0,0,0|3,0,1]=4 246 B9R0.47 C[C@@H](NCCCF)C(=O)N 2230a_100000119354_100011934791 [0,0,0,0,0,0|3,0,0]=3 247 B9R0.47 C[C@@H](NCCCF)C(=O)N 34a_100000119354_100011934791 [0,0,0,0,0,0|3,0,0]=3 248 B9R0.47 C[C@@H](NCCCO)C(=O)N 2230a_100000119354_100000230001 [0,0,0,0,0,0|3,0,0]=3 249 B9R0.47 C[C@@H](NCCCO)C(=O)N 34a_100000119354_100000230001 [0,0,0,0,0,0|3,0,0]=3 250 B9R0.47 C[C@@H](OCCC#N)C(=O)N 7a_100000731257_100000184422 [0,0,0,0,0,0|3,0,1]=4 251 B9R0.47 C[C@@H](OCCCF)C(=O)N 34a_100000731257_100011934791 [0,0,0,0,0,0|3,0,0]=3 252 B9R0.47 C[C@@H](OCCCF)C(=O)N 7a_100000731257_100011934791 [0,0,0,0,0,0|3,0,0]=3 253 B9R0.47 C[C@@H](OCCCO)C(=O)N 34a_100000731257_100000230001 [0,0,0,0,0,0|3,0,0]=3 254 B9R0.47 C[C@@H](OCCCO)C(=O)N 7a_100000731257_100011215043 [0,0,0,0,0,0|3,0,0]=3 255 B9R0.47 C[C@H](NCCC#N)C(=O)O 269956a_100000743915_100011215226 [0,0,0,0,0,0|2,0,1]=3 256 B9R0.47 C[C@H](NCCCF)C(=O)O 269956a_100000743915_100011934791 [0,0,0,0,0,0|2,0,0]=2 257 B9R0.47 C[C@H](NCCCO)C(=O)O 269956a_100000743915_100011215043 [0,0,0,0,0,0|2,0,0]=2 258 B9R0.47 C[C@H](NCSC#N)C(=O)O 269956a_100000743915_100000211825 [0,0,0,0,0,0|3,0,1]=4 259 B9R0.47 C[C@H](OCCC#N)C(=O)[O-] 7a_217856618621_100000184422 [0,0,0,0,0,0|2,0,2]=4 260 B9R0.47 C[C@H](OCCCF)C(=O)[O-] 7a_217856618621_100011934791 [0,0,0,0,0,0|2,0,1]=3 261 B9R0.47 C[C@H](OCCCO)C(=O)[O-] 7a_217856618621_100011215043 [0,0,0,0,0,0|2,0,1]=3 262 B9R0.47 N#CCNCC(F)C(=O)O 269956a_100000084737_100011215382 [0,0,0,0,0,0|3,0,1]=4 263 B9R0.47 NC(=O)C(F)NCCCF 2230a_100015189416_100009813875 [0,0,0,0,0,0|4,0,0]=4 264 B9R0.47 NC(=O)C(F)NCCCF 34a_100015189416_100009813875 [0,0,0,0,0,0|4,0,0]=4 265 B9R0.47 NC(=O)C(F)OCCCBr 34a_100011217188_100009813875 [0,0,0,0,0,0|4,0,0]=4 266 B9R0.47 NC(=O)C(F)OCCCCl 34a_100000230001_100009813875 [0,0,0,0,0,0|4,0,0]=4 267 B9R0.47 NC(=O)C(F)OCCCF 34a_100000759539_100009813875 [0,0,0,0,0,0|4,0,0]=4 268 B9R0.47 NC(=O)C(F)SCCCF 62a_100009813875_100011934791 [0,0,0,0,0,0|4,0,0]=4 269 B9R0.47 NC(=O)C(F)SCCCF 62a_100011934791_100009813875 [0,0,0,0,0,0|4,0,0]=4 270 B9R0.47 NC(=O)C(F)SCCCO 62a_100009813875_100011215043 [0,0,0,0,0,0|4,0,0]=4 271 B9R0.47 NC(=O)C(F)SCCCO 62a_100011215043_100009813875 [0,0,0,0,0,0|4,0,0]=4 272 B9R0.47 NC(=O)[C@@H](N)COCCF 34a_100000729942_100011217306 [0,0,0,0,0,0|4,0,0]=4 273 B9R0.47 NC(=O)[C@@H](N)COCCO 34a_100000729942_100000211926 [0,0,0,0,0,0|4,0,0]=4 274 B9R0.47 NCCCOC(F)C(=O)N 34a_100000182051_100009813875 [0,0,0,0,0,0|4,0,0]=4 275 B9R0.47 NCCCOC(F)C(=O)[O-] 34a_100000182051_100020610796 [0,0,0,0,0,0|3,0,1]=4 276 B9R0.47 O=C(O)C(F)CNCCF 269956a_100000084737_100011217306 [0,0,0,0,0,0|3,0,0]=3 277 B9R0.47 O=C(O)C(F)CNCCO 269956a_100000084737_100000211926 [0,0,0,0,0,0|3,0,0]=3 278 B9R0.47 O=C([O-])C(F)NCCCF 34a_100015189416_100020610796 [0,0,0,0,0,0|3,0,1]=4 279 B9R0.47 O=C([O-])C(F)OCCCBr 34a_100011217188_100020610796 [0,0,0,0,0,0|3,0,1]=4 280 B9R0.47 O=C([O-])C(F)OCCCCl 34a_100000230001_100020610796 [0,0,0,0,0,0|3,0,1]=4 281 B9R0.47 O=C([O-])C(F)OCCCF 34a_100000759539_100020610796 [0,0,0,0,0,0|3,0,1]=4 282 B9R0.47 O=C([O-])C(F)SCCCF 62a_100011934791_100020610796 [0,0,0,0,0,0|3,0,1]=4 283 B9R0.47 O=C([O-])C(F)SCCCF 62a_100020610796_100011934791 [0,0,0,0,0,0|3,0,1]=4 284 B9R0.47 O=C([O-])C(F)SCCCO 62a_100011215043_100020610796 [0,0,0,0,0,0|3,0,1]=4 285 B9R0.47 O=C([O-])C(F)SCCCO 62a_100020610796_100011215043 [0,0,0,0,0,0|3,0,1]=4 286 B9R0.47 O=CCNCC(F)C(=O)O 269956a_100000084737_200015260668 [0,0,0,0,0,0|3,0,1]=4 287 B8R0.6 C#CC(C)NCCCC 2230a_100000707721_100000210211 [1,0,0,0,0,0|2,0,1]=4 288 B8R0.6 C#CC(C)NCCCC 34a_100000707721_100000210210 [1,0,0,0,0,0|2,0,1]=4 289 B8R0.6 C#CC(C)OCCCC 34a_100000210227_200000035995 [1,0,0,0,0,0|2,0,1]=4 290 B8R0.6 C#CC(C)SCCCC 62a_200000035995_100000210210 [1,0,0,0,0,0|2,0,1]=4 291 B8R0.6 C#C[C@@H](C)OCCCC 34a_100009815206_100000210210 [1,0,0,0,0,0|2,0,1]=4 292 B8R0.6 C#C[C@@H](C)OCCCC 7a_100009815206_100000210211 [1,0,0,0,0,0|2,0,1]=4 293 B8R0.6 C=CC(=O)CCCCC 1458a_100000185746_100000210326 [1,0,0,0,0,0|2,0,1]=4 294 B8R0.6 C=CC(C)COCCC 34a_100011215527_100000210303 [1,0,0,0,0,0|2,0,0]=3 295 B8R0.6 C=CC(C)COCCC 7a_100011215527_100000210303 [1,0,0,0,0,0|2,0,0]=3 296 B8R0.6 C=CC(C)COCCF 34a_100011215527_100011217306 [1,0,0,0,0,0|3,0,0]=4 297 B8R0.6 C=CC(C)COCCF 7a_100011215527_100011217306 [1,0,0,0,0,0|3,0,0]=4 298 B8R0.6 C=CC(C)COCCO 34a_100011215527_100000211926 [1,0,0,0,0,0|3,0,0]=4 299 B8R0.6 C=CC(C)COCCO 7a_100011215527_100000211926 [1,0,0,0,0,0|3,0,0]=4 300 B8R0.6 C=CC(C)COCSC 34a_100011215527_100011218213 [1,0,0,0,0,0|3,0,0]=4 301 B8R0.6 C=CC(C)OCCCC 34a_100000695699_100000210210 [1,0,0,0,0,0|2,0,0]=3 302 B8R0.6 C=CC(C)OCCCF 34a_100000695699_100011934791 [1,0,0,0,0,0|3,0,0]=4 303 B8R0.6 C=CC(C)OCCCO 34a_100000695699_100000230001 [1,0,0,0,0,0|3,0,0]=4 304 B8R0.6 C=CC(C)OCCOC 34a_100000695699_100011201679 [1,0,0,0,0,0|3,0,0]=4 305 B8R0.6 C=CC(C)OCCSC 34a_100000695699_100000212216 [1,0,0,0,0,0|3,0,0]=4 306 B8R0.6 C=CC(C)SCCCC 62a_100011215867_100000210210 [1,0,0,0,0,0|2,0,0]=3 307 B8R0.6 C=CC(C)SCCCF 62a_100011215867_100011934791 [1,0,0,0,0,0|3,0,0]=4 308 B8R0.6 C=CC(C)SCCCO 62a_100011215867_100011215043 [1,0,0,0,0,0|3,0,0]=4 309 B8R0.6 C=CC(C)SCCOC 62a_100011215867_100000233755 [1,0,0,0,0,0|3,0,0]=4 310 B8R0.6 C=CC(C)SCCSC 62a_100011215867_100000751147 [1,0,0,0,0,0|3,0,0]=4 311 B8R0.6 C=CC(C)SCOCC 62a_100011215867_100000739092 [1,0,0,0,0,0|3,0,0]=4 312 B8R0.6 C=CC(O)COCCC 34a_100000210258_100000730141 [1,0,0,0,0,0|3,0,0]=4 313 B8R0.6 C=CC(O)CSCCC 62a_100000210303_100000730141 [1,0,0,0,0,0|3,0,0]=4 314 B8R0.6 C=CC(O)CSCCC 62a_100000730141_100000210303 [1,0,0,0,0,0|3,0,0]=4 315 B8R0.6 C=C[C@H](N)COCCC 34a_100016989147_100000210303 [1,0,0,0,0,0|3,0,0]=4 316 B8R0.6 CC(CO)CCNCF 34a_106354213184_100015361967 [1,0,0,0,0,0|2,0,1]=4 317 B8R0.6 CC(CO)CNCCF 34a_100000744482_100011217306 [1,0,0,0,0,0|2,0,1]=4 318 B8R0.6 CC(CO)CNCCO 34a_100000744482_100000211926 [1,0,0,0,0,0|2,0,1]=4 319 B8R0.6 CC(CO)NCCCF 2230a_100015189416_100012180447 [1,0,0,0,0,0|2,0,1]=4 320 B8R0.6 CC(CO)NCCCF 34a_100015189416_100012180447 [1,0,0,0,0,0|2,0,1]=4 321 B8R0.6 CC(CO)OCCCBr 34a_100011217188_100012180447 [1,0,0,0,0,0|2,0,1]=4 322 B8R0.6 CC(CO)OCCCCl 34a_100000230001_100012180447 [1,0,0,0,0,0|2,0,1]=4 323 B8R0.6 CC(CO)OCCCF 34a_100000759539_100012180447 [1,0,0,0,0,0|2,0,1]=4 324 B8R0.6 CC(CO)OCCCN 34a_100000182051_100012180447 [1,0,0,0,0,0|2,0,1]=4 325 B8R0.6 CC(CO)SCCCF 62a_100012180447_100011934791 [1,0,0,0,0,0|2,0,1]=4 326 B8R0.6 CC(CO)SCCCO 62a_100012180447_100011215043 [1,0,0,0,0,0|2,0,1]=4 327 B8R0.6 CCC(C)CCCOC 7a_100011216074_200000210301 [1,0,0,0,0,0|2,0,1]=4 328 B8R0.6 CCC(C)CCCO[13CH3] 7a_100011216074_200025704644 [1,0,0,0,0,0|2,0,1]=4 329 B8R0.6 CCCCCC(=O)CO 1458a_100000210174_100000210326 [1,0,0,0,0,0|1,0,2]=4 330 B8R0.6 CCCCCC(C)NC 2230a_100000211957_200000210301 [1,0,0,0,0,0|2,0,0]=3 331 B8R0.6 CCCCCC(C)NC 2230a_106832991635_200011218191 [1,0,0,0,0,0|2,0,0]=3 332 B8R0.6 CCCCCC(C)NC 270004a_106832991635_100000211708 [1,0,0,0,0,0|2,0,0]=3 333 B8R0.6 CCCCCC(C)NC 34a_100102657272_200011218191 [1,0,0,0,0,0|2,0,0]=3 334 B8R0.6 CCCCCC(C)NC 7a_106832991635_200011218191 [1,0,0,0,0,0|2,0,0]=3 335 B8R0.6 CCCCCC(C)N[13CH3] 2230a_100000211957_200025704644 [1,0,0,0,0,0|2,0,0]=3 336 B8R0.6 CCCCCC(C)OC 34a_100011215632_200000210301 [1,0,0,0,0,0|2,0,0]=3 337 B8R0.6 CCCCCC(C)OC 34a_100138415774_200011218191 [1,0,0,0,0,0|2,0,0]=3 338 B8R0.6 CCCCCC(C)OC 7a_100011215632_200000210301 [1,0,0,0,0,0|2,0,0]=3 339 B8R0.6 CCCCCC(C)O[13CH3] 34a_100011215632_200025704644 [1,0,0,0,0,0|2,0,0]=3 340 B8R0.6 CCCCCC(C)O[13CH3] 7a_100011215632_200025704644 [1,0,0,0,0,0|2,0,0]=3 341 B8R0.6 CCCCCC(C)SC 62a_200000210301_200011218191 [1,0,0,0,0,0|2,0,0]=3 342 B8R0.6 CCCCCC(C)SC 62a_200011218191_200000210301 [1,0,0,0,0,0|2,0,0]=3 343 B8R0.6 CCCCCC(C)S[13CH3] 62a_200011218191_200025704644 [1,0,0,0,0,0|2,0,0]=3 344 B8R0.6 CCCCCC(C)S[13CH3] 62a_200025704644_200011218191 [1,0,0,0,0,0|2,0,0]=3 345 B8R0.6 CCCCCN(C)CC 2230a_100000223495_100000210202 [1,0,0,0,0,0|2,0,1]=4 346 B8R0.6 CCCCCN(C)CC 2230a_100000225621_100000210326 [1,0,0,0,0,0|2,0,1]=4 347 B8R0.6 CCCCCN(C)CC 269982a_100000223495_100000204670 [1,0,0,0,0,0|2,0,1]=4 348 B8R0.6 CCCCCN(C)CC 269982a_100000225621_100000210215 [1,0,0,0,0,0|2,0,1]=4 349 B8R0.6 CCCCCN(C)CF 269982a_100000223495_100015361967 [1,0,0,0,0,0|2,0,1]=4 350 B8R0.6 CCCCNC(C)C#N 2230a_100000102301_100000184139 [1,0,0,0,0,0|2,0,1]=4 351 B8R0.6 CCCCNC(C)C#N 2230a_100000737613_100000210211 [1,0,0,0,0,0|2,0,1]=4 352 B8R0.6 CCCCNC(C)C#N 7a_106832991798_100000703298 [1,0,0,0,0,0|2,0,1]=4 353 B8R0.6 CCCCNC(C)CC 2230a_100000102301_100000758301 [1,0,0,0,0,0|2,0,1]=4 354 B8R0.6 CCCCNC(C)CC 2230a_100000209981_100000210211 [1,0,0,0,0,0|2,0,1]=4 355 B8R0.6 CCCCNC(C)CC 7a_106832991798_100000758301 [1,0,0,0,0,0|2,0,1]=4 356 B8R0.6 CCCCNC(C)CO 2230a_100000102301_100012180447 [1,0,0,0,0,0|1,0,1]=3 357 B8R0.6 CCCCNC(C)CO 7a_106832991798_100012180447 [1,0,0,0,0,0|1,0,1]=3 358 B8R0.6 CCCCN[C@H](C)CO 2230a_100000737577_100000210211 [1,0,0,0,0,0|1,0,1]=3 359 B8R0.6 CCCCOC(C)C#N 34a_100011218135_100000210210 [1,0,0,0,0,0|2,0,1]=4 360 B8R0.6 CCCCOC(C)C#N 7a_100000210227_100000703298 [1,0,0,0,0,0|2,0,1]=4 361 B8R0.6 CCCCOC(C)CC 34a_100000210227_100011215416 [1,0,0,0,0,0|2,0,1]=4 362 B8R0.6 CCCCOC(C)CC 7a_100000210227_100000758301 [1,0,0,0,0,0|2,0,1]=4 363 B8R0.6 CCCCOC(C)CC 7a_100000210228_100000210211 [1,0,0,0,0,0|2,0,1]=4 364 B8R0.6 CCCCOC(C)CF 34a_100016041109_100000210210 [1,0,0,0,0,0|2,0,1]=4 365 B8R0.6 CCCCOC(C)CF 7a_100016041109_100000210211 [1,0,0,0,0,0|2,0,1]=4 366 B8R0.6 CCCCOC(C)CN 34a_100000210904_100000210210 [1,0,0,0,0,0|2,0,1]=4 367 B8R0.6 CCCCOC(C)CO 34a_100000210227_100012180447 [1,0,0,0,0,0|1,0,1]=3 368 B8R0.6 CCCCOC(C)CO 7a_100000210227_100012180447 [1,0,0,0,0,0|1,0,1]=3 369 B8R0.6 CCCCSC(C)C#N 62a_100000210211_100000703298 [1,0,0,0,0,0|2,0,1]=4 370 B8R0.6 CCCCSC(C)C#N 62a_100000703298_100000210210 [1,0,0,0,0,0|2,0,1]=4 371 B8R0.6 CCCCSC(C)CC 62a_100000210211_100000758301 [1,0,0,0,0,0|2,0,1]=4 372 B8R0.6 CCCCSC(C)CC 62a_100000758301_100000210210 [1,0,0,0,0,0|2,0,1]=4 373 B8R0.6 CCCCSC(C)CO 62a_100012180447_100000210210 [1,0,0,0,0,0|1,0,1]=3 374 B8R0.6 CCCCSC(C)OC 62a_100000210211_100009879195 [1,0,0,0,0,0|3,0,0]=4 375 B8R0.6 CCCCSC(C)OC 62a_100009879195_100000210210 [1,0,0,0,0,0|3,0,0]=4 376 B8R0.6 CCCCS[C@H](C)CO 62a_100000210211_100016084084 [1,0,0,0,0,0|1,0,1]=3 377 B8R0.6 CCCCS[C@H](C)CO 62a_100016084084_100000210210 [1,0,0,0,0,0|1,0,1]=3 378 B8R0.6 CCCNCC(C)CC 2230a_100020588543_100000210303 [1,0,0,0,0,0|2,0,1]=4 379 B8R0.6 CCCNCC(C)CC 270004a_100020643023_100000243153 [1,0,0,0,0,0|2,0,1]=4 380 B8R0.6 CCCNCC(C)CO 34a_100000744482_100000210303 [1,0,0,0,0,0|1,0,1]=3 381 B8R0.6 CCCNC[C@@H](C)OC 2230a_100020591295_100000210303 [1,0,0,0,0,0|3,0,0]=4 382 B8R0.6 CCCNC[C@@H](F)CO 34a_100015665980_100000210303 [1,0,0,0,0,0|2,0,1]=4 383 B8R0.6 CCCNC[C@H](O)CO 2230a_100020644852_100000210303 [1,0,0,0,0,0|2,0,1]=4 384 B8R0.6 CCCOCC(C)CC 34a_100000210258_100000748023 [1,0,0,0,0,0|2,0,1]=4 385 B8R0.6 CCCOCC(C)CN 34a_100000744482_100000210303 [1,0,0,0,0,0|2,0,1]=4 386 B8R0.6 CCCOCC(C)OC 34a_100000690652_100000210303 [1,0,0,0,0,0|3,0,0]=4 387 B8R0.6 CCCOCC(O)CO 34a_100000210258_100011219619 [1,0,0,0,0,0|2,0,1]=4 388 B8R0.6 CCCOC[C@@H](C)CC 34a_100000210258_100009816398 [1,0,0,0,0,0|2,0,1]=4 389 B8R0.6 CCCOC[C@@H](C)CC 7a_100009816381_100000210303 [1,0,0,0,0,0|2,0,1]=4 390 B8R0.6 CCCOC[C@@H](C)CO 34a_100000210258_100000059175 [1,0,0,0,0,0|1,0,1]=3 391 B8R0.6 CCCOC[C@@H](O)CO 34a_100000210258_100009815848 [1,0,0,0,0,0|2,0,1]=4 392 B8R0.6 CCCSCC(C)CC 62a_100000210303_100000748023 [1,0,0,0,0,0|2,0,1]=4 393 B8R0.6 CCCSCC(C)CC 62a_100000748023_100000210303 [1,0,0,0,0,0|2,0,1]=4 394 B8R0.6 CCCSCC(C)NC 270004a_106832991635_100011343953 [1,0,0,0,0,0|3,0,0]=4 395 B8R0.6 CCCSCC(O)CO 62a_100000210303_100011219619 [1,0,0,0,0,0|2,0,1]=4 396 B8R0.6 CCCSCC(O)CO 62a_100011219619_100000210303 [1,0,0,0,0,0|2,0,1]=4 397 B8R0.6 CCCSC[C@@H](C)CC 62a_100000210303_100009816398 [1,0,0,0,0,0|2,0,1]=4 398 B8R0.6 CCCSC[C@@H](C)CC 62a_100009816398_100000210303 [1,0,0,0,0,0|2,0,1]=4 399 B8R0.6 CCCSC[C@@H](C)CO 62a_100000059175_100000210303 [1,0,0,0,0,0|1,0,1]=3 400 B8R0.6 CCCSC[C@@H](C)CO 62a_100000210303_100000059175 [1,0,0,0,0,0|1,0,1]=3 401 B8R0.6 CCCSC[C@@H](O)CO 62a_100000210303_100009815848 [1,0,0,0,0,0|2,0,1]=4 402 B8R0.6 CCCSC[C@@H](O)CO 62a_100009815848_100000210303 [1,0,0,0,0,0|2,0,1]=4 403 B8R0.6 CCNCCC(C)CC 2230a_100020591266_100000210202 [1,0,0,0,0,0|2,0,1]=4 404 B8R0.6 CCNCCC(C)CO 2230a_106354213184_100000210202 [1,0,0,0,0,0|1,0,1]=3 405 B8R0.6 CCNCCC(C)CO 34a_106354213184_100000210202 [1,0,0,0,0,0|1,0,1]=3 406 B8R0.6 CCOCCC(C)CC 7a_100011215188_100000210202 [1,0,0,0,0,0|2,0,1]=4 407 B8R0.6 CCOCCC(C)NC 270004a_106832991635_200011216536 [1,0,0,0,0,0|3,0,0]=4 408 B8R0.6 CCOCCC(C)OC 7a_100000764861_100000210202 [1,0,0,0,0,0|3,0,0]=4 409 B8R0.6 CCOCSC(C)CO 62a_100012180447_100000739092 [1,0,0,0,0,0|2,0,1]=4 410 B8R0.6 CCOCS[C@H](C)CO 62a_100000739092_100016084084 [1,0,0,0,0,0|2,0,1]=4 411 B8R0.6 CCOCS[C@H](C)CO 62a_100016084084_100000739092 [1,0,0,0,0,0|2,0,1]=4 412 B8R0.6 CNC(C)CCCSC 270004a_106832991635_100011399439 [1,0,0,0,0,0|3,0,0]=4 413 B8R0.6 COCCCC(C)OC 34a_200011539412_200000210301 [1,0,0,0,0,0|3,0,0]=4 414 B8R0.6 COCCCC(C)OC 7a_200011539412_200000210301 [1,0,0,0,0,0|3,0,0]=4 415 B8R0.6 COCCCC(C)O[13CH3] 34a_200011539412_200025704644 [1,0,0,0,0,0|3,0,0]=4 416 B8R0.6 COCCCC(C)O[13CH3] 7a_200011539412_200025704644 [1,0,0,0,0,0|3,0,0]=4 417 B8R0.6 COCCC[C@@H](C)CN 34a_100160569302_200000210301 [1,0,0,0,0,0|2,0,1]=4 418 B8R0.6 COCCNC(C)CO 2230a_100000209980_100012180447 [1,0,0,0,0,0|2,0,1]=4 419 B8R0.6 COCCN[C@H](C)CO 2230a_100000737577_100011201679 [1,0,0,0,0,0|2,0,1]=4 420 B8R0.6 COCCOC(C)CO 34a_100000210237_100012180447 [1,0,0,0,0,0|2,0,1]=4 421 B8R0.6 COCCSC(C)CO 62a_100012180447_100000233755 [1,0,0,0,0,0|2,0,1]=4 422 B8R0.6 COCCS[C@H](C)CO 62a_100000233755_100016084084 [1,0,0,0,0,0|2,0,1]=4 423 B8R0.6 COCCS[C@H](C)CO 62a_100016084084_100000233755 [1,0,0,0,0,0|2,0,1]=4 424 B8R0.6 COCSC[C@@H](C)CO 62a_100000059175_100000766300 [1,0,0,0,0,0|2,0,1]=4 425 B8R0.6 COCSC[C@@H](C)CO 62a_100000766300_100000059175 [1,0,0,0,0,0|2,0,1]=4 426 B8R0.6 CSCCNC(C)CO 2230a_100020590264_100012180447 [1,0,0,0,0,0|2,0,1]=4 427 B8R0.6 CSCCN[C@H](C)CO 2230a_100000737577_100000751147 [1,0,0,0,0,0|2,0,1]=4 428 B8R0.6 CSCCOC(C)CO 34a_100000230434_100012180447 [1,0,0,0,0,0|2,0,1]=4 429 B8R0.6 CSCCOC(C)CO 7a_100000230434_100012180447 [1,0,0,0,0,0|2,0,1]=4 430 B8R0.6 CSCCSC(C)CO 62a_100012180447_100000751147 [1,0,0,0,0,0|2,0,1]=4 431 B8R0.6 CSCCS[C@H](C)CO 62a_100000212216_100016084084 [1,0,0,0,0,0|2,0,1]=4 432 B8R0.6 CSCCS[C@H](C)CO 62a_100016084084_100000751147 [1,0,0,0,0,0|2,0,1]=4 433 B8R0.6 CSCNCC(C)CO 34a_100000744482_100011218213 [1,0,0,0,0,0|2,0,1]=4 434 B8R0.6 CSCSC[C@@H](C)CO 62a_100000059175_100011218213 [1,0,0,0,0,0|2,0,1]=4 435 B8R0.6 CSCSC[C@@H](C)CO 62a_100011218213_100000059175 [1,0,0,0,0,0|2,0,1]=4 436 B8R0.6 C[C@@H](CN)CCCO[13CH3] 34a_100160569302_200025704644 [1,0,0,0,0,0|2,0,1]=4 437 B8R0.6 C[C@@H](CO)CNCCF 34a_100000724931_100000059175 [1,0,0,0,0,0|2,0,1]=4 438 B8R0.6 C[C@@H](CO)CNCCO 2230a_100016997473_100000059175 [1,0,0,0,0,0|2,0,1]=4 439 B8R0.6 C[C@@H](CO)CNCCO 34a_100016990907_100000059175 [1,0,0,0,0,0|2,0,1]=4 440 B8R0.6 C[C@@H](CO)COCCBr 34a_100000211926_100000059175 [1,0,0,0,0,0|2,0,1]=4 441 B8R0.6 C[C@@H](CO)COCCN 34a_100000210304_100000059175 [1,0,0,0,0,0|2,0,1]=4 442 B8R0.6 C[C@@H](CO)CSCCF 62a_100000059175_100011217306 [1,0,0,0,0,0|2,0,1]=4 443 B8R0.6 C[C@@H](CO)CSCCF 62a_100011217306_100000059175 [1,0,0,0,0,0|2,0,1]=4 444 B8R0.6 C[C@@H](CO)CSCCO 62a_100000059175_100000211926 [1,0,0,0,0,0|2,0,1]=4 445 B8R0.6 C[C@@H](CO)CSCCO 62a_100000211926_100000059175 [1,0,0,0,0,0|2,0,1]=4 446 B8R0.6 C[C@H](CO)NCCCF 2230a_100000737577_100011934791 [1,0,0,0,0,0|2,0,1]=4 447 B8R0.6 C[C@H](CO)NCCCO 2230a_100000737577_100000230001 [1,0,0,0,0,0|2,0,1]=4 448 B8R0.6 C[C@H](CO)SCCCF 62a_100011934791_100016084084 [1,0,0,0,0,0|2,0,1]=4 449 B8R0.6 C[C@H](CO)SCCCF 62a_100016084084_100011934791 [1,0,0,0,0,0|2,0,1]=4 450 B8R0.6 C[C@H](CO)SCCCO 62a_100011215043_100016084084 [1,0,0,0,0,0|2,0,1]=4 451 B8R0.6 C[C@H](CO)SCCCO 62a_100016084084_100011215043 [1,0,0,0,0,0|2,0,1]=4 452 B8R0.7 C#CCCCCC(=O)C 1458a_100000070787_100010269958 [1,0,0,0,0,0|1,0,2]=4 453 B8R0.7 C#CCCCCC(=O)C 1458a_100000696528_200000210301 [1,0,0,0,0,0|1,0,2]=4 454 B8R0.7 C#CCCCCC(=O)[13CH3] 1458a_100000696528_200025704644 [1,0,0,0,0,0|1,0,2]=4 455 B8R0.7 C#CCCNCC(=O)O 269956a_100016091260_100000688953 [1,0,0,0,0,0|1,0,2]=4 456 B8R0.7 C/C=C/CNCC(=O)O 269956a_100016091260_100102629194 [1,0,0,0,0,0|1,0,2]=4 457 B8R0.7 C=C(Br)CCOCCC 34a_100009813270_100000210303 [1,0,0,0,0,0|3,0,0]=4 458 B8R0.7 C=C(C)CCOCCC 34a_100000210258_100000730704 [1,0,0,0,0,0|3,0,0]=4 459 B8R0.7 C=C(C)CCOCCC 34a_100000764851_100000210303 [1,0,0,0,0,0|3,0,0]=4 460 B8R0.7 C=C(C)CCSCCC 62a_100000210303_100000730704 [1,0,0,0,0,0|3,0,0]=4 461 B8R0.7 C=C(C)CCSCCC 62a_100000730704_100000210303 [1,0,0,0,0,0|3,0,0]=4 462 B8R0.7 C=C(C)CNCCCC 2230a_100000102301_100000748629 [1,0,0,0,0,0|3,0,0]=4 463 B8R0.7 C=C(C)CNCCCC 7a_106832991798_100000748629 [1,0,0,0,0,0|3,0,0]=4 464 B8R0.7 C=C(C)COCCCC 34a_100000210227_100000748629 [1,0,0,0,0,0|3,0,0]=4 465 B8R0.7 C=C(C)COCCCC 34a_100000210245_100000210210 [1,0,0,0,0,0|3,0,0]=4 466 B8R0.7 C=C(C)COCCCC 7a_100000210227_100000748629 [1,0,0,0,0,0|3,0,0]=4 467 B8R0.7 C=C(C)CSCCCC 62a_100000210211_100000211660 [1,0,0,0,0,0|3,0,0]=4 468 B8R0.7 C=C(C)CSCCCC 62a_100000748629_100000210210 [1,0,0,0,0,0|3,0,0]=4 469 B8R0.7 C=C(F)CNCCCC 2230a_100000102301_100009893438 [1,0,0,0,0,0|3,0,0]=4 470 B8R0.7 C=C(F)CNCCCC 7a_106832991798_100000042424 [1,0,0,0,0,0|3,0,0]=4 471 B8R0.7 C=C(F)COCCCC 34a_100000210227_100009893438 [1,0,0,0,0,0|3,0,0]=4 472 B8R0.7 C=C(F)COCCCC 34a_200010262243_100000210210 [1,0,0,0,0,0|3,0,0]=4 473 B8R0.7 C=C(F)COCCCC 7a_100000210227_100000042424 [1,0,0,0,0,0|3,0,0]=4 474 B8R0.7 C=C(F)CSCCCC 62a_100000042424_100000210210 [1,0,0,0,0,0|3,0,0]=4 475 B8R0.7 C=C(F)CSCCCC 62a_100000210211_100000042424 [1,0,0,0,0,0|3,0,0]=4 476 B8R0.7 C=CCCCCC(=O)C 1458a_100000070787_100011215482 [1,0,0,0,0,0|1,0,2]=4 477 B8R0.7 C=CCCCCC(=O)C 1458a_100011215552_200000210301 [1,0,0,0,0,0|1,0,2]=4 478 B8R0.7 C=CCCCCC(=O)[13CH3] 1458a_100011215552_200025704644 [1,0,0,0,0,0|1,0,2]=4 479 B8R0.7 C=CCCNCC(=O)O 269956a_100016091260_100000754431 [1,0,0,0,0,0|1,0,2]=4 480 B8R0.7 CC#CCNCC(=O)O 269956a_100016091260_100000748600 [1,0,0,0,0,0|1,0,2]=4 481 B8R0.7 CC(=O)CCCCC#N 1458a_100000070787_100000211819 [1,0,0,0,0,0|2,0,1]=4 482 B8R0.7 CC(=O)CCCCCF 1458a_100000070787_100000729378 [1,0,0,0,0,0|2,0,0]=3 483 B8R0.7 CC(=O)CCCCCO 1458a_100000070787_100000746330 [1,0,0,0,0,0|2,0,0]=3 484 B8R0.7 CC(=O)CCCCCO 1458a_100102619762_200000210301 [1,0,0,0,0,0|2,0,0]=3 485 B8R0.7 CC(=O)CCCCS[13CH3] 62a_100000735457_200025704644 [1,0,0,0,0,0|2,0,0]=3 486 B8R0.7 CC(=O)CCCCS[13CH3] 62a_200025704644_100000735457 [1,0,0,0,0,0|2,0,0]=3 487 B8R0.7 CC(=O)CCCOCF 34a_100000759063_100015361967 [1,0,0,0,0,0|3,0,0]=4 488 B8R0.7 CC(=O)CCCOCF 7a_100000759063_100015361967 [1,0,0,0,0,0|3,0,0]=4 489 B8R0.7 CC(=O)CCCSCF 62a_100011215641_100015361967 [1,0,0,0,0,0|3,0,0]=4 490 B8R0.7 CC(=O)CCCSCF 62a_100015361967_100011215641 [1,0,0,0,0,0|3,0,0]=4 491 B8R0.7 CC(=O)CCOCCF 34a_100000759926_100011217306 [1,0,0,0,0,0|3,0,0]=4 492 B8R0.7 CC(=O)CCOCCF 7a_100000759926_100011217306 [1,0,0,0,0,0|3,0,0]=4 493 B8R0.7 CC(=O)CCOCCO 1458a_100000070787_100011215305 [1,0,0,0,0,0|3,0,0]=4 494 B8R0.7 CC(=O)CCOCCO 1458a_100011229844_200000210301 [1,0,0,0,0,0|3,0,0]=4 495 B8R0.7 CC(=O)CCOCCO 34a_100000759926_100000211926 [1,0,0,0,0,0|3,0,0]=4 496 B8R0.7 CC(=O)CCOCCO 7a_100000759926_100000211926 [1,0,0,0,0,0|3,0,0]=4 497 B8R0.7 CC(=O)CCSCCF 62a_100000053229_100011217306 [1,0,0,0,0,0|3,0,0]=4 498 B8R0.7 CC(=O)CCSCCF 62a_100011217306_100000053229 [1,0,0,0,0,0|3,0,0]=4 499 B8R0.7 CC(=O)CCSCCO 62a_100000053229_100000211926 [1,0,0,0,0,0|3,0,0]=4 500 B8R0.7 CC(=O)CCSCCO 62a_100000211926_100000053229 [1,0,0,0,0,0|3,0,0]=4 501 B8R0.7 CC(=O)COCCCF 34a_100000211253_100011934791 [1,0,0,0,0,0|3,0,0]=4 502 B8R0.7 CC(=O)COCCCO 34a_100000211253_100000230001 [1,0,0,0,0,0|3,0,0]=4 503 B8R0.7 CC(=O)NCCCCO 240690a_100000750430_100015343762 [1,0,0,0,0,0|3,0,0]=4 504 B8R0.7 CC(=O)NCCCCO 527a_100000750430_100103153847 [1,0,0,0,0,0|3,0,0]=4 505 B8R0.7 CC(=O)NCCCN[13CH3] 34a_100000736810_200025704644 [1,0,0,0,0,0|3,0,0]=4 506 B8R0.7 CC(=O)NCCCO[13CH3] 34a_100000752032_200025704644 [1,0,0,0,0,0|3,0,0]=4 507 B8R0.7 CC(=O)OCCCS[13CH3] 62a_100000042594_200025704644 [1,0,0,0,0,0|3,0,0]=4 508 B8R0.7 CC(=O)OCCCS[13CH3] 62a_200025704644_100000042594 [1,0,0,0,0,0|3,0,0]=4 509 B8R0.7 CC(=O)SCCCS[13CH3] 62a_100000038929_200025704644 [1,0,0,0,0,0|3,0,0]=4 510 B8R0.7 CC(=O)SCCCS[13CH3] 62a_200025704644_100000038929 [1,0,0,0,0,0|3,0,0]=4 511 B8R0.7 CC/C=C\CCC(=O)C 1458a_100000070787_100015370543 [1,0,0,0,0,0|1,0,2]=4 512 B8R0.7 CCC/C=C/CC(=O)C 1458a_200016266809_200000210301 [1,0,0,0,0,0|1,0,2]=4 513 B8R0.7 CCC/C=C/CC(=O)[13CH3] 1458a_200016266809_200025704644 [1,0,0,0,0,0|1,0,2]=4 514 B8R0.7 CCCCC=CC(=O)C 1458a_100016266645_200000210301 [1,0,0,0,0,0|1,0,2]=4 515 B8R0.7 CCCCC=CC(=O)[13CH3] 1458a_100016266645_200025704644 [1,0,0,0,0,0|1,0,2]=4 516 B8R0.7 CCCCCCC(=O)C 1458a_100000070787_100000210757 [1,0,0,0,0,0|1,0,0]=2 517 B8R0.7 CCCCCCC(=O)C 1458a_100102632555_200000210301 [1,0,0,0,0,0|1,0,0]=2 518 B8R0.7 CCCCCCC(=O)[13CH3] 1458a_100102632555_200025704644 [1,0,0,0,0,0|1,0,0]=2 519 B8R0.7 CCCCCCN(C)C 2230a_100102631434_100000210314 [1,0,0,0,0,0|3,0,0]=4 520 B8R0.7 CCCCCCN(C)C 2230a_106256046315_200000210301 [1,0,0,0,0,0|3,0,0]=4 521 B8R0.7 CCCCCCN(C)C 269982a_100102631434_100000210757 [1,0,0,0,0,0|3,0,0]=4 522 B8R0.7 CCCCCCN(C)C 269982a_106256046315_200000210301 [1,0,0,0,0,0|3,0,0]=4 523 B8R0.7 CCCCCCN(C)[13CH3] 2230a_106256046315_200025704644 [1,0,0,0,0,0|3,0,0]=4 524 B8R0.7 CCCCCCN(C)[13CH3] 269982a_106256046315_200025704644 [1,0,0,0,0,0|3,0,0]=4 525 B8R0.7 CCCCCNC(=O)C 11a_100000209983_100015343762 [1,0,0,0,0,0|2,0,0]=3 526 B8R0.7 CCCCCNC(=O)C 1626a_100000209983_100015343762 [1,0,0,0,0,0|2,0,0]=3 527 B8R0.7 CCCCCNC(=O)C 240690a_100000209983_100015343762 [1,0,0,0,0,0|2,0,0]=3 528 B8R0.7 CCCCCNC(=O)C 527a_100000209983_100103153847 [1,0,0,0,0,0|2,0,0]=3 529 B8R0.7 CCCCNCC(=O)N 2230a_100000102301_100000747473 [1,0,0,0,0,0|2,0,0]=3 530 B8R0.7 CCCCNCC(=O)N 2230a_100000711301_100000210211 [1,0,0,0,0,0|2,0,0]=3 531 B8R0.7 CCCCNCC(=O)N 7a_106832991798_100000187820 [1,0,0,0,0,0|2,0,0]=3 532 B8R0.7 CCCCNCC(=O)O 269956a_100016091260_100000210211 [1,0,0,0,0,0|1,0,0]=2 533 B8R0.7 CCCCNCC(C)O 2230a_100000102301_100011218427 [1,0,0,0,0,0|2,0,1]=4 534 B8R0.7 CCCCNCC(C)O 2230a_100000210904_100000210211 [1,0,0,0,0,0|2,0,1]=4 535 B8R0.7 CCCCNCC(C)O 34a_100000210904_100000210210 [1,0,0,0,0,0|2,0,1]=4 536 B8R0.7 CCCCNCC(C)O 7a_106832991798_100011218427 [1,0,0,0,0,0|2,0,1]=4 537 B8R0.7 CCCCNC[C@@H](C)O 2230a_100000102301_100009817552 [1,0,0,0,0,0|2,0,1]=4 538 B8R0.7 CCCCNC[C@@H](C)O 7a_106832991798_100009817552 [1,0,0,0,0,0|2,0,1]=4 539 B8R0.7 CCCCNNC(=O)C 22a_100025702795_100000070787 [1,0,0,0,0,0|3,0,0]=4 540 B8R0.7 CCCCOCC(=O)C 1458a_100000070787_100011995733 [1,0,0,0,0,0|2,0,0]=3 541 B8R0.7 CCCCOCC(=O)C 1458a_100000757543_200000210301 [1,0,0,0,0,0|2,0,0]=3 542 B8R0.7 CCCCOCC(=O)C 34a_100000211253_100000210210 [1,0,0,0,0,0|2,0,0]=3 543 B8R0.7 CCCCOCC(=O)N 34a_100000210227_100000187820 [1,0,0,0,0,0|2,0,0]=3 544 B8R0.7 CCCCOCC(=O)N 7a_100000210227_100000187820 [1,0,0,0,0,0|2,0,0]=3 545 B8R0.7 CCCCOCC(=O)[13CH3] 1458a_100000757543_200025704644 [1,0,0,0,0,0|2,0,0]=3 546 B8R0.7 CCCCOCC(=O)[O-] 34a_100000210227_100020667443 [1,0,0,0,0,0|1,0,1]=3 547 B8R0.7 CCCCOCC(C)O 34a_100000210227_100011218427 [1,0,0,0,0,0|2,0,1]=4 548 B8R0.7 CCCCOCC(C)O 7a_100000210227_100011218427 [1,0,0,0,0,0|2,0,1]=4 549 B8R0.7 CCCCOC[C@@H](C)O 34a_100000210227_100009817552 [1,0,0,0,0,0|2,0,1]=4 550 B8R0.7 CCCCOC[C@@H](C)O 7a_100000210227_100009817552 [1,0,0,0,0,0|2,0,1]=4 551 B8R0.7 CCCCOC[N+](=O)[O-] 34a_100000210227_100000761209 [1,0,0,0,0,0|2,0,1]=4 552 B8R0.7 CCCCSCC(=O)C 1458a_100000191162_200000210301 [1,0,0,0,0,0|2,0,0]=3 553 B8R0.7 CCCCSCC(=O)N 62a_100000210211_100000747473 [1,0,0,0,0,0|2,0,0]=3 554 B8R0.7 CCCCSCC(=O)N 62a_100000747473_100000210210 [1,0,0,0,0,0|2,0,0]=3 555 B8R0.7 CCCCSCC(=O)[13CH3] 1458a_100000191162_200025704644 [1,0,0,0,0,0|2,0,0]=3 556 B8R0.7 CCCCSCC(=O)[O-] 62a_100000210211_100020667443 [1,0,0,0,0,0|1,0,1]=3 557 B8R0.7 CCCCSCC(=O)[O-] 62a_100020667443_100000210210 [1,0,0,0,0,0|1,0,1]=3 558 B8R0.7 CCCCSCC(C)O 62a_100000210211_100011218427 [1,0,0,0,0,0|2,0,1]=4 559 B8R0.7 CCCCSCC(C)O 62a_100011218427_100000210210 [1,0,0,0,0,0|2,0,1]=4 560 B8R0.7 CCCCSC[C@@H](C)O 62a_100000210211_100009817552 [1,0,0,0,0,0|2,0,1]=4 561 B8R0.7 CCCCSC[C@@H](C)O 62a_100009817552_100000210210 [1,0,0,0,0,0|2,0,1]=4 562 B8R0.7 CCCCSC[N+](=O)[O-] 62a_100000210211_100000761209 [1,0,0,0,0,0|2,0,1]=4 563 B8R0.7 CCCNCCC(C)O 2230a_200000755665_100000210303 [1,0,0,0,0,0|2,0,1]=4 564 B8R0.7 CCCNOCC(=O)O 269956a_100000106656_100000210207 [1,0,0,0,0,0|2,0,0]=3 565 B8R0.7 CCCOCCC(=O)C 1458a_100000070787_100011215938 [1,0,0,0,0,0|2,0,0]=3 566 B8R0.7 CCCOCCC(=O)C 34a_100000759926_100000210303 [1,0,0,0,0,0|2,0,0]=3 567 B8R0.7 CCCOCCC(=O)C 7a_100000759926_100000210303 [1,0,0,0,0,0|2,0,0]=3 568 B8R0.7 CCCOCCC(=O)N 34a_100000210258_100000731001 [1,0,0,0,0,0|2,0,0]=3 569 B8R0.7 CCCOCCC(=O)N 34a_100000757172_100000210303 [1,0,0,0,0,0|2,0,0]=3 570 B8R0.7 CCCOCCC(=O)N 7a_100000757172_100000210303 [1,0,0,0,0,0|2,0,0]=3 571 B8R0.7 CCCOCCC(C)O 34a_100000210258_100012276601 [1,0,0,0,0,0|2,0,1]=4 572 B8R0.7 CCCOCOC(=O)C 34a_100000210258_100009813279 [1,0,0,0,0,0|3,0,0]=4 573 B8R0.7 CCCSCCC(=O)C 62a_100000053229_100000210303 [1,0,0,0,0,0|2,0,0]=3 574 B8R0.7 CCCSCCC(=O)C 62a_100000210303_100000053229 [1,0,0,0,0,0|2,0,0]=3 575 B8R0.7 CCCSCCC(=O)N 62a_100000210303_100000744528 [1,0,0,0,0,0|2,0,0]=3 576 B8R0.7 CCCSCCC(=O)N 62a_100000744528_100000210303 [1,0,0,0,0,0|2,0,0]=3 577 B8R0.7 CCCSCCC(C)O 62a_100000210303_100012276601 [1,0,0,0,0,0|2,0,1]=4 578 B8R0.7 CCCSCCC(C)O 62a_100012276601_100000210303 [1,0,0,0,0,0|2,0,1]=4 579 B8R0.7 CCCSCOC(=O)C 62a_100000076356_100000210303 [1,0,0,0,0,0|3,0,0]=4 580 B8R0.7 CCCSCOC(=O)C 62a_100000210303_100000076356 [1,0,0,0,0,0|3,0,0]=4 581 B8R0.7 CCNCCCC(=O)N 34a_100000739312_100000210202 [1,0,0,0,0,0|2,0,0]=3 582 B8R0.7 CCNCCCC(C)O 2230a_100015525214_200000718107 [1,0,0,0,0,0|2,0,1]=4 583 B8R0.7 CCNCCCS(=O)C 2230a_200000753449_100000210202 [1,0,0,0,0,0|3,0,0]=4 584 B8R0.7 CCNCCNC(=O)C 2230a_100000209853_100000210202 [1,0,0,0,0,0|3,0,0]=4 585 B8R0.7 CCNCCNC(=O)C 2230a_100015525214_100000189650 [1,0,0,0,0,0|3,0,0]=4 586 B8R0.7 CCNCCNC(=O)N 2230a_100015525214_200000034859 [1,0,0,0,0,0|3,0,0]=4 587 B8R0.7 CCNCCNC(=O)N 34a_100020590234_100000210202 [1,0,0,0,0,0|3,0,0]=4 588 B8R0.7 CCOCCCC(=O)C 1458a_100000070787_100012232248 [1,0,0,0,0,0|2,0,0]=3 589 B8R0.7 CCOCCCC(=O)C 34a_100000759063_100000210202 [1,0,0,0,0,0|2,0,0]=3 590 B8R0.7 CCOCCCC(=O)C 34a_100121572206_100000685027 [1,0,0,0,0,0|2,0,0]=3 591 B8R0.7 CCOCCCC(=O)C 7a_100000759063_100000210202 [1,0,0,0,0,0|2,0,0]=3 592 B8R0.7 CCOCCCC(=O)N 34a_100121572206_100102525003 [1,0,0,0,0,0|2,0,0]=3 593 B8R0.7 CCOCCCC(C)O 34a_100121572206_200000718107 [1,0,0,0,0,0|2,0,1]=4 594 B8R0.7 CCOCCC[N+](=O)[O-] 34a_200000037920_100000210202 [1,0,0,0,0,0|2,0,1]=4 595 B8R0.7 CCOCCNC(=O)C 11a_100011200944_100015343762 [1,0,0,0,0,0|3,0,0]=4 596 B8R0.7 CCOCCNC(=O)C 1626a_102516460346_100015343762 [1,0,0,0,0,0|3,0,0]=4 597 B8R0.7 CCOCCNC(=O)C 240690a_100011200944_100015343762 [1,0,0,0,0,0|3,0,0]=4 598 B8R0.7 CCOCCNC(=O)C 34a_100000158858_100000210202 [1,0,0,0,0,0|3,0,0]=4 599 B8R0.7 CCOCCNC(=O)C 527a_100011200944_100103153847 [1,0,0,0,0,0|3,0,0]=4 600 B8R0.7 CCOCCNC(=O)N 34a_100000181757_100000210202 [1,0,0,0,0,0|3,0,0]=4 601 B8R0.7 CCOCCOC(=O)C 34a_100121572206_100009814007 [1,0,0,0,0,0|3,0,0]=4 602 B8R0.7 CCOCCOC(=O)N 34a_100121572206_200011214921 [1,0,0,0,0,0|3,0,0]=4 603 B8R0.7 CCOCCOC(=O)N 7a_100000766696_100000210202 [1,0,0,0,0,0|3,0,0]=4 604 B8R0.7 CCOCNCC(=O)O 269956a_100016091260_100000739092 [1,0,0,0,0,0|2,0,0]=3 605 B8R0.7 CCOCSCC(=O)N 62a_100000739092_100000747473 [1,0,0,0,0,0|3,0,0]=4 606 B8R0.7 CCOCSCC(=O)N 62a_100000747473_100000739092 [1,0,0,0,0,0|3,0,0]=4 607 B8R0.7 CCOCSCC(=O)[O-] 62a_100000739092_100020667443 [1,0,0,0,0,0|2,0,1]=4 608 B8R0.7 CCOCSCC(=O)[O-] 62a_100020667443_100000739092 [1,0,0,0,0,0|2,0,1]=4 609 B8R0.7 CCSCCCC(=O)C 62a_100000210202_100011215641 [1,0,0,0,0,0|2,0,0]=3 610 B8R0.7 CCSCCCC(=O)C 62a_100011215641_100000210202 [1,0,0,0,0,0|2,0,0]=3 611 B8R0.7 CCSCCCC(=O)N 62a_100000210202_100102525003 [1,0,0,0,0,0|2,0,0]=3 612 B8R0.7 CCSCCCC(=O)N 62a_100102525003_100000210202 [1,0,0,0,0,0|2,0,0]=3 613 B8R0.7 CCSCCCC(C)O 62a_100000210202_200000718107 [1,0,0,0,0,0|2,0,1]=4 614 B8R0.7 CCSCCCC(C)O 62a_200000718107_100000210202 [1,0,0,0,0,0|2,0,1]=4 615 B8R0.7 CCSCCNC(=O)C 11a_100000106463_100015343762 [1,0,0,0,0,0|3,0,0]=4 616 B8R0.7 CCSCCNC(=O)C 1626a_100000106463_100015343762 [1,0,0,0,0,0|3,0,0]=4 617 B8R0.7 CCSCCNC(=O)C 240690a_100000106463_100015343762 [1,0,0,0,0,0|3,0,0]=4 618 B8R0.7 CCSCCNC(=O)C 527a_100000106463_100103153847 [1,0,0,0,0,0|3,0,0]=4 619 B8R0.7 CCSCCNC(=O)C 62a_100000189650_100000210202 [1,0,0,0,0,0|3,0,0]=4 620 B8R0.7 CCSCCNC(=O)C 62a_100000210202_100000189650 [1,0,0,0,0,0|3,0,0]=4 621 B8R0.7 CCSCCNC(=O)N 62a_100000210202_200000034859 [1,0,0,0,0,0|3,0,0]=4 622 B8R0.7 CCSCCNC(=O)N 62a_200000034859_100000210202 [1,0,0,0,0,0|3,0,0]=4 623 B8R0.7 CCSCCOC(=O)C 62a_100000210202_100009814007 [1,0,0,0,0,0|3,0,0]=4 624 B8R0.7 CCSCCOC(=O)C 62a_100009814007_100000210202 [1,0,0,0,0,0|3,0,0]=4 625 B8R0.7 CCSCCOC(=O)N 62a_100000210202_200011214921 [1,0,0,0,0,0|3,0,0]=4 626 B8R0.7 CCSCCOC(=O)N 62a_200011214921_100000210202 [1,0,0,0,0,0|3,0,0]=4 627 B8R0.7 CNCCCCB(O)O 2230a_106832991635_200009817182 [1,0,0,0,0,0|2,0,1]=4 628 B8R0.7 CNCCCCB(O)O 34a_100102657272_200009817182 [1,0,0,0,0,0|2,0,1]=4 629 B8R0.7 CNCCCCB(O)O 7a_106832991635_200009817182 [1,0,0,0,0,0|2,0,1]=4 630 B8R0.7 CNCCCCC(=O)C 34a_100102657272_100009817362 [1,0,0,0,0,0|2,0,0]=3 631 B8R0.7 CNCCCCC(=O)C 7a_106832991635_100000735457 [1,0,0,0,0,0|2,0,0]=3 632 B8R0.7 CNCCCCC(=O)N 34a_100000696515_200000210301 [1,0,0,0,0,0|2,0,0]=3 633 B8R0.7 CNCCCNC(=O)C 34a_100000736810_200000210301 [1,0,0,0,0,0|3,0,0]=4 634 B8R0.7 CNCCCOC(=O)C 34a_100102657272_100000042594 [1,0,0,0,0,0|3,0,0]=4 635 B8R0.7 CNCCCOC(=O)C 7a_106832991635_100000042594 [1,0,0,0,0,0|3,0,0]=4 636 B8R0.7 CNCCCSC(=O)C 2230a_106832991635_100000038929 [1,0,0,0,0,0|3,0,0]=4 637 B8R0.7 CNCCCSC(=O)C 34a_100102657272_100000038929 [1,0,0,0,0,0|3,0,0]=4 638 B8R0.7 CNCCCSC(=O)C 7a_106832991635_100000038929 [1,0,0,0,0,0|3,0,0]=4 639 B8R0.7 CNCCOCC(=O)N 2230a_106832991635_100000076697 [1,0,0,0,0,0|3,0,0]=4 640 B8R0.7 CNCCOCC(=O)N 34a_100102657272_100000076697 [1,0,0,0,0,0|3,0,0]=4 641 B8R0.7 CNCCOCC(=O)N 7a_106832991635_100000076697 [1,0,0,0,0,0|3,0,0]=4 642 B8R0.7 CNCCOCC(=O)O 269956a_100000700818_200000210301 [1,0,0,0,0,0|2,0,0]=3 643 B8R0.7 COCCCCB(O)O 34a_100138415774_200009817182 [1,0,0,0,0,0|2,0,1]=4 644 B8R0.7 COCCCCC(=O)C 1458a_100000070787_100000755781 [1,0,0,0,0,0|2,0,0]=3 645 B8R0.7 COCCCCC(=O)C 34a_100138415774_100009817362 [1,0,0,0,0,0|2,0,0]=3 646 B8R0.7 COCCCCC(=O)N 34a_100012022536_200000210301 [1,0,0,0,0,0|2,0,0]=3 647 B8R0.7 COCCCCC(=O)N 7a_100012022536_200000210301 [1,0,0,0,0,0|2,0,0]=3 648 B8R0.7 COCCCC[N+](=O)[O-] 34a_200015379883_200000210301 [1,0,0,0,0,0|2,0,1]=4 649 B8R0.7 COCCCC[N+](=O)[O-] 7a_200015379883_200000210301 [1,0,0,0,0,0|2,0,1]=4 650 B8R0.7 COCCCNC(=O)C 1626a_100150723488_100015343762 [1,0,0,0,0,0|3,0,0]=4 651 B8R0.7 COCCCNC(=O)C 240690a_100150723488_100015343762 [1,0,0,0,0,0|3,0,0]=4 652 B8R0.7 COCCCNC(=O)C 34a_100000752032_200000210301 [1,0,0,0,0,0|3,0,0]=4 653 B8R0.7 COCCCNC(=O)C 527a_100150723488_100103153847 [1,0,0,0,0,0|3,0,0]=4 654 B8R0.7 COCCCOC(=O)C 34a_100138415774_100000042594 [1,0,0,0,0,0|3,0,0]=4 655 B8R0.7 COCCCSC(=O)C 34a_100138415774_100000038929 [1,0,0,0,0,0|3,0,0]=4 656 B8R0.7 COCCNCC(=O)N 2230a_100000209980_100000747473 [1,0,0,0,0,0|3,0,0]=4 657 B8R0.7 COCCNCC(=O)N 2230a_100000711301_100011201679 [1,0,0,0,0,0|3,0,0]=4 658 B8R0.7 COCCNCC(=O)O 269956a_100016091260_100000233755 [1,0,0,0,0,0|2,0,0]=3 659 B8R0.7 COCCOCC(=O)C 1458a_100000211095_200000210301 [1,0,0,0,0,0|3,0,0]=4 660 B8R0.7 COCCOCC(=O)C 34a_100000211253_100011201679 [1,0,0,0,0,0|3,0,0]=4 661 B8R0.7 COCCOCC(=O)N 34a_100000210237_100000187820 [1,0,0,0,0,0|3,0,0]=4 662 B8R0.7 COCCOCC(=O)N 34a_100138415774_100000076697 [1,0,0,0,0,0|3,0,0]=4 663 B8R0.7 COCCOCC(=O)[13CH3] 1458a_100000211095_200025704644 [1,0,0,0,0,0|3,0,0]=4 664 B8R0.7 COCCOCC(=O)[O-] 34a_100000210237_100020667443 [1,0,0,0,0,0|2,0,1]=4 665 B8R0.7 COCCSCC(=O)N 62a_100000233755_100000747473 [1,0,0,0,0,0|3,0,0]=4 666 B8R0.7 COCCSCC(=O)N 62a_100000747473_100000233755 [1,0,0,0,0,0|3,0,0]=4 667 B8R0.7 COCCSCC(=O)[O-] 62a_100000233755_100020667443 [1,0,0,0,0,0|2,0,1]=4 668 B8R0.7 COCCSCC(=O)[O-] 62a_100020667443_100000233755 [1,0,0,0,0,0|2,0,1]=4 669 B8R0.7 COCNOCC(=O)O 269956a_100000106656_100000766300 [1,0,0,0,0,0|3,0,0]=4 670 B8R0.7 COCSCCC(=O)C 62a_100000053229_100000766300 [1,0,0,0,0,0|3,0,0]=4 671 B8R0.7 COCSCCC(=O)C 62a_100000766300_100000053229 [1,0,0,0,0,0|3,0,0]=4 672 B8R0.7 COCSCCC(=O)N 62a_100000744528_100000766300 [1,0,0,0,0,0|3,0,0]=4 673 B8R0.7 COCSCCC(=O)N 62a_100000766300_100000744528 [1,0,0,0,0,0|3,0,0]=4 674 B8R0.7 CSCCCCB(O)O 62a_200000210301_200009817182 [1,0,0,0,0,0|2,0,1]=4 675 B8R0.7 CSCCCCB(O)O 62a_200009817182_200000210301 [1,0,0,0,0,0|2,0,1]=4 676 B8R0.7 CSCCCCC(=O)C 62a_100000735457_200000210301 [1,0,0,0,0,0|2,0,0]=3 677 B8R0.7 CSCCCCC(=O)C 62a_200000210301_100000735457 [1,0,0,0,0,0|2,0,0]=3 678 B8R0.7 CSCCCNC(=O)C 11a_100000749238_100015343762 [1,0,0,0,0,0|3,0,0]=4 679 B8R0.7 CSCCCNC(=O)C 1626a_100000749238_100015343762 [1,0,0,0,0,0|3,0,0]=4 680 B8R0.7 CSCCCNC(=O)C 240690a_100000749238_100015343762 [1,0,0,0,0,0|3,0,0]=4 681 B8R0.7 CSCCCNC(=O)C 527a_100000749238_100103153847 [1,0,0,0,0,0|3,0,0]=4 682 B8R0.7 CSCCCOC(=O)C 62a_100000042594_200000210301 [1,0,0,0,0,0|3,0,0]=4 683 B8R0.7 CSCCCOC(=O)C 62a_200000210301_100000042594 [1,0,0,0,0,0|3,0,0]=4 684 B8R0.7 CSCCCSC(=O)C 62a_100000038929_200000210301 [1,0,0,0,0,0|3,0,0]=4 685 B8R0.7 CSCCCSC(=O)C 62a_200000210301_100000038929 [1,0,0,0,0,0|3,0,0]=4 686 B8R0.7 CSCCNCC(=O)N 2230a_100000711301_100000751147 [1,0,0,0,0,0|3,0,0]=4 687 B8R0.7 CSCCNCC(=O)N 2230a_100020590264_100000747473 [1,0,0,0,0,0|3,0,0]=4 688 B8R0.7 CSCCNCC(=O)O 269956a_100016091260_100000212216 [1,0,0,0,0,0|2,0,0]=3 689 B8R0.7 CSCCOCC(=O)C 34a_100000211253_100000212216 [1,0,0,0,0,0|3,0,0]=4 690 B8R0.7 CSCCOCC(=O)N 34a_100000230434_100000187820 [1,0,0,0,0,0|3,0,0]=4 691 B8R0.7 CSCCOCC(=O)N 62a_100000076697_200000210301 [1,0,0,0,0,0|3,0,0]=4 692 B8R0.7 CSCCOCC(=O)N 62a_200000210301_100000076697 [1,0,0,0,0,0|3,0,0]=4 693 B8R0.7 CSCCOCC(=O)N 7a_100000230434_100000187820 [1,0,0,0,0,0|3,0,0]=4 694 B8R0.7 CSCCOCC(=O)[O-] 34a_100000230434_100020667443 [1,0,0,0,0,0|2,0,1]=4 695 B8R0.7 CSCCSCC(=O)N 62a_100000212216_100000747473 [1,0,0,0,0,0|3,0,0]=4 696 B8R0.7 CSCCSCC(=O)N 62a_100000747473_100000751147 [1,0,0,0,0,0|3,0,0]=4 697 B8R0.7 CSCCSCC(=O)[O-] 62a_100000212216_100020667443 [1,0,0,0,0,0|2,0,1]=4 698 B8R0.7 CSCCSCC(=O)[O-] 62a_100020667443_100000751147 [1,0,0,0,0,0|2,0,1]=4 699 B8R0.7 CSCNOCC(=O)O 269956a_100000106656_100011218213 [1,0,0,0,0,0|3,0,0]=4 700 B8R0.7 CSCOCCC(=O)C 34a_100000759926_100011218213 [1,0,0,0,0,0|3,0,0]=4 701 B8R0.7 CSCOCCC(=O)N 34a_100000757172_100011218213 [1,0,0,0,0,0|3,0,0]=4 702 B8R0.7 CSCSCCC(=O)C 62a_100000053229_100011218213 [1,0,0,0,0,0|3,0,0]=4 703 B8R0.7 CSCSCCC(=O)C 62a_100011218213_100000053229 [1,0,0,0,0,0|3,0,0]=4 704 B8R0.7 CSCSCCC(=O)N 62a_100000744528_100011218213 [1,0,0,0,0,0|3,0,0]=4 705 B8R0.7 CSCSCCC(=O)N 62a_100011218213_100000744528 [1,0,0,0,0,0|3,0,0]=4 706 B8R0.7 N#CCCNCC(=O)O 269956a_100016091260_100011215226 [1,0,0,0,0,0|2,0,1]=4 707 B8R0.7 NC(=O)CCCNCF 34a_100000739312_100015361967 [1,0,0,0,0,0|3,0,0]=4 708 B8R0.7 NC(=O)CCCSCF 62a_100015361967_100102525003 [1,0,0,0,0,0|3,0,0]=4 709 B8R0.7 NC(=O)CCCSCF 62a_100102525003_100015361967 [1,0,0,0,0,0|3,0,0]=4 710 B8R0.7 NC(=O)CCNCCF 34a_100000724931_100000731001 [1,0,0,0,0,0|3,0,0]=4 711 B8R0.7 NC(=O)CCNCCO 2230a_100016997473_100000744528 [1,0,0,0,0,0|3,0,0]=4 712 B8R0.7 NC(=O)CCNCCO 34a_100016990907_100000731001 [1,0,0,0,0,0|3,0,0]=4 713 B8R0.7 NC(=O)CCOCCBr 34a_100000211926_100000731001 [1,0,0,0,0,0|3,0,0]=4 714 B8R0.7 NC(=O)CCOCCF 34a_100000757172_100011217306 [1,0,0,0,0,0|3,0,0]=4 715 B8R0.7 NC(=O)CCOCCF 7a_100000757172_100011217306 [1,0,0,0,0,0|3,0,0]=4 716 B8R0.7 NC(=O)CCOCCO 34a_100000757172_100000211926 [1,0,0,0,0,0|3,0,0]=4 717 B8R0.7 NC(=O)CCOCCO 7a_100000757172_100000211926 [1,0,0,0,0,0|3,0,0]=4 718 B8R0.7 NC(=O)CCSCCF 62a_100000744528_100011217306 [1,0,0,0,0,0|3,0,0]=4 719 B8R0.7 NC(=O)CCSCCF 62a_100011217306_100000744528 [1,0,0,0,0,0|3,0,0]=4 720 B8R0.7 NC(=O)CCSCCO 62a_100000211926_100000744528 [1,0,0,0,0,0|3,0,0]=4 721 B8R0.7 NC(=O)CCSCCO 62a_100000744528_100000211926 [1,0,0,0,0,0|3,0,0]=4 722 B8R0.7 NC(=O)CNCCCF 2230a_100000711301_100011934791 [1,0,0,0,0,0|3,0,0]=4 723 B8R0.7 NC(=O)CNCCCF 2230a_100015189416_100000747473 [1,0,0,0,0,0|3,0,0]=4 724 B8R0.7 NC(=O)CNCCCF 34a_100015189416_100000187820 [1,0,0,0,0,0|3,0,0]=4 725 B8R0.7 NC(=O)CNCCCO 2230a_100000711301_100000230001 [1,0,0,0,0,0|3,0,0]=4 726 B8R0.7 NC(=O)COCCCBr 34a_100011217188_100000187820 [1,0,0,0,0,0|3,0,0]=4 727 B8R0.7 NC(=O)COCCCCl 34a_100000230001_100000187820 [1,0,0,0,0,0|3,0,0]=4 728 B8R0.7 NC(=O)COCCCF 34a_100000759539_100000187820 [1,0,0,0,0,0|3,0,0]=4 729 B8R0.7 NC(=O)CSCCCF 62a_100000747473_100011934791 [1,0,0,0,0,0|3,0,0]=4 730 B8R0.7 NC(=O)CSCCCF 62a_100011934791_100000747473 [1,0,0,0,0,0|3,0,0]=4 731 B8R0.7 NC(=O)CSCCCO 62a_100000747473_100011215043 [1,0,0,0,0,0|3,0,0]=4 732 B8R0.7 NC(=O)CSCCCO 62a_100011215043_100000747473 [1,0,0,0,0,0|3,0,0]=4 733 B8R0.7 NCCCOCC(=O)N 34a_100000182051_100000187820 [1,0,0,0,0,0|3,0,0]=4 734 B8R0.7 NCCCOCC(=O)[O-] 34a_100000182051_100020667443 [1,0,0,0,0,0|2,0,1]=4 735 B8R0.7 NCCOCCC(=O)N 34a_100000210304_100000731001 [1,0,0,0,0,0|3,0,0]=4 736 B8R0.7 O=C(O)CNCCCF 269956a_100016091260_100011934791 [1,0,0,0,0,0|2,0,0]=3 737 B8R0.7 O=C(O)CNCCCO 269956a_100016091260_100011215043 [1,0,0,0,0,0|2,0,0]=3 738 B8R0.7 O=C(O)CONCCF 269956a_100000106656_100011217306 [1,0,0,0,0,0|3,0,0]=4 739 B8R0.7 O=C(O)CONCCO 269956a_100000106656_100000211926 [1,0,0,0,0,0|3,0,0]=4 740 B8R0.7 O=C([O-])CNCCCF 34a_100015189416_100020667443 [1,0,0,0,0,0|2,0,1]=4 741 B8R0.7 O=C([O-])COCCCBr 34a_100011217188_100020667443 [1,0,0,0,0,0|2,0,1]=4 742 B8R0.7 O=C([O-])COCCCCl 34a_100000230001_100020667443 [1,0,0,0,0,0|2,0,1]=4 743 B8R0.7 O=C([O-])COCCCF 34a_100000759539_100020667443 [1,0,0,0,0,0|2,0,1]=4 744 B8R0.7 O=C([O-])CSCCCF 62a_100011934791_100020667443 [1,0,0,0,0,0|2,0,1]=4 745 B8R0.7 O=C([O-])CSCCCF 62a_100020667443_100011934791 [1,0,0,0,0,0|2,0,1]=4 746 B8R0.7 O=C([O-])CSCCCO 62a_100011215043_100020667443 [1,0,0,0,0,0|2,0,1]=4 747 B8R0.7 O=C([O-])CSCCCO 62a_100020667443_100011215043 [1,0,0,0,0,0|2,0,1]=4 748 B8R0.7 [13CH3]C(=O)CCCCCO 1458a_100102619762_200025704644 [1,0,0,0,0,0|2,0,0]=3 749 B8R0.7 [13CH3]C(=O)CCOCCO 1458a_100011229844_200025704644 [1,0,0,0,0,0|3,0,0]=4 750 B8R0.7 [13CH3]NCCCCC(=O)N 34a_100000696515_200025704644 [1,0,0,0,0,0|2,0,0]=3 751 B8R0.7 [13CH3]NCCOCC(=O)O 269956a_100000700818_200025704644 [1,0,0,0,0,0|2,0,0]=3 752 B8R0.7 [13CH3]OCCCCC(=O)N 34a_100012022536_200025704644 [1,0,0,0,0,0|2,0,0]=3 753 B8R0.7 [13CH3]OCCCCC(=O)N 7a_100012022536_200025704644 [1,0,0,0,0,0|2,0,0]=3 754 B8R0.7 [13CH3]OCCCC[N+](=O)[O-] 34a_200015379883_200025704644 [1,0,0,0,0,0|2,0,1]=4 755 B8R0.7 [13CH3]OCCCC[N+](=O)[O-] 7a_200015379883_200025704644 [1,0,0,0,0,0|2,0,1]=4 756 B8R0.7 [13CH3]SCCCCB(O)O 62a_200009817182_200025704644 [1,0,0,0,0,0|2,0,1]=4 757 B8R0.7 [13CH3]SCCCCB(O)O 62a_200025704644_200009817182 [1,0,0,0,0,0|2,0,1]=4 758 B8R0.7 [13CH3]SCCOCC(=O)N 62a_100000076697_200025704644 [1,0,0,0,0,0|3,0,0]=4 759 B8R0.7 [13CH3]SCCOCC(=O)N 62a_200025704644_100000076697 [1,0,0,0,0,0|3,0,0]=4 760 B8R0.8 C#CCN[C@@H](C)C(=O)O 269956a_100000743915_100000184674 [1,0,0,0,0,0|1,0,2]=4 761 B8R0.8 C=C(C)C(C)NCCC 269862a_100020643023_100011216138 [1,0,0,0,0,0|3,0,0]=4 762 B8R0.8 C=CCN[C@@H](C)C(=O)O 269956a_100000743915_100000210623 [1,0,0,0,0,0|1,0,2]=4 763 B8R0.8 CC(=O)C(C)COCF 34a_100000032740_100015361967 [1,0,0,0,0,0|3,0,0]=4 764 B8R0.8 CC(=O)C(C)COCF 7a_100000032740_100015361967 [1,0,0,0,0,0|3,0,0]=4 765 B8R0.8 CC(=O)C(C)NCCO 2230a_100016997473_100009814033 [1,0,0,0,0,0|3,0,0]=4 766 B8R0.8 CC(=O)C(C)OCCF 34a_100000212229_100011217306 [1,0,0,0,0,0|3,0,0]=4 767 B8R0.8 CC(=O)C(C)OCCO 34a_100000212229_100000211926 [1,0,0,0,0,0|3,0,0]=4 768 B8R0.8 CC(=O)C(C)SCCF 62a_100009814033_100011217306 [1,0,0,0,0,0|3,0,0]=4 769 B8R0.8 CC(=O)C(C)SCCF 62a_100011217306_100009814033 [1,0,0,0,0,0|3,0,0]=4 770 B8R0.8 CC(=O)C(C)SCCO 62a_100000211926_100009814033 [1,0,0,0,0,0|3,0,0]=4 771 B8R0.8 CC(=O)C(C)SCCO 62a_100009814033_100000211926 [1,0,0,0,0,0|3,0,0]=4 772 B8R0.8 CC(=O)N(C)CCCO 240690a_100000213112_100015343762 [1,0,0,0,0,0|3,0,0]=4 773 B8R0.8 CC(=O)N(C)CCCO 527a_100000213112_100103153847 [1,0,0,0,0,0|3,0,0]=4 774 B8R0.8 CC(CNCF)C(=O)O 269956a_100000749485_100015361967 [1,0,0,0,0,0|2,0,0]=3 775 B8R0.8 CC(NCCF)C(=O)N 34a_100000724931_100000702099 [1,0,0,0,0,0|3,0,0]=4 776 B8R0.8 CC(NCCO)C(=O)N 2230a_100016997473_100000702099 [1,0,0,0,0,0|3,0,0]=4 777 B8R0.8 CC(NCCO)C(=O)N 34a_100016990907_100000702099 [1,0,0,0,0,0|3,0,0]=4 778 B8R0.8 CC(OCCBr)C(=O)N 34a_100000211926_100000702099 [1,0,0,0,0,0|3,0,0]=4 779 B8R0.8 CC(OCCN)C(=O)N 34a_100000210304_100000702099 [1,0,0,0,0,0|3,0,0]=4 780 B8R0.8 CC(SCCF)C(=O)N 62a_100000702099_100011217306 [1,0,0,0,0,0|3,0,0]=4 781 B8R0.8 CC(SCCF)C(=O)N 62a_100011217306_100000702099 [1,0,0,0,0,0|3,0,0]=4 782 B8R0.8 CC(SCCO)C(=O)N 62a_100000211926_100000702099 [1,0,0,0,0,0|3,0,0]=4 783 B8R0.8 CC(SCCO)C(=O)N 62a_100000702099_100000211926 [1,0,0,0,0,0|3,0,0]=4 784 B8R0.8 CCC/C=C(\C)/C(=O)C 1458a_200020648666_200000210301 [1,0,0,0,0,0|1,0,2]=4 785 B8R0.8 CCC/C=C(\C)/C(=O)[13CH3] 1458a_200020648666_200025704644 [1,0,0,0,0,0|1,0,2]=4 786 B8R0.8 CCCCC(C)C(=O)C 1458a_100000070787_200011215066 [1,0,0,0,0,0|1,0,0]=2 787 B8R0.8 CCCCC(C)C(=O)C 1458a_100000725509_200000210301 [1,0,0,0,0,0|1,0,0]=2 788 B8R0.8 CCCCC(C)C(=O)[13CH3] 1458a_100000725509_200025704644 [1,0,0,0,0,0|1,0,0]=2 789 B8R0.8 CCCCC(C)N(C)C 2230a_100102631434_200011215066 [1,0,0,0,0,0|3,0,0]=4 790 B8R0.8 CCCCC(C)N(C)C 269982a_100102631434_200011215066 [1,0,0,0,0,0|3,0,0]=4 791 B8R0.8 CCCCC(C)N(C)C 270004a_100102631434_100000210087 [1,0,0,0,0,0|3,0,0]=4 792 B8R0.8 CCCCC(O)C(=O)C 1458a_100000720857_200000210301 [1,0,0,0,0,0|2,0,0]=3 793 B8R0.8 CCCCC(O)C(=O)[13CH3] 1458a_100000720857_200025704644 [1,0,0,0,0,0|2,0,0]=3 794 B8R0.8 CCCCN(C)C(=O)C 11a_100000207549_100015343762 [1,0,0,0,0,0|2,0,0]=3 795 B8R0.8 CCCCN(C)C(=O)C 1626a_100000207549_100015343762 [1,0,0,0,0,0|2,0,0]=3 796 B8R0.8 CCCCN(C)C(=O)C 240690a_100000207549_100015343762 [1,0,0,0,0,0|2,0,0]=3 797 B8R0.8 CCCCN(C)C(=O)C 527a_100000207549_100103153847 [1,0,0,0,0,0|2,0,0]=3 798 B8R0.8 CCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210207 [1,0,0,0,0,0|1,0,0]=2 799 B8R0.8 CCCN[C@H](C)C(=O)N 2230a_100000119354_100000210303 [1,0,0,0,0,0|2,0,0]=3 800 B8R0.8 CCCN[C@H](C)C(=O)N 34a_100000119354_100000210303 [1,0,0,0,0,0|2,0,0]=3 801 B8R0.8 CCCOC(C)C(=O)C 34a_100000212229_100000210303 [1,0,0,0,0,0|2,0,0]=3 802 B8R0.8 CCCOC(C)C(=O)N 34a_100000210258_100000702099 [1,0,0,0,0,0|2,0,0]=3 803 B8R0.8 CCCOC(F)C(=O)N 34a_100000210258_100009813875 [1,0,0,0,0,0|3,0,0]=4 804 B8R0.8 CCCOC(F)C(=O)[O-] 34a_100000210258_100020610796 [1,0,0,0,0,0|2,0,1]=4 805 B8R0.8 CCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210303 [1,0,0,0,0,0|1,0,1]=3 806 B8R0.8 CCCO[C@H](C)C(=O)N 34a_100000731257_100000210303 [1,0,0,0,0,0|2,0,0]=3 807 B8R0.8 CCCO[C@H](C)C(=O)N 7a_100000731257_100000210303 [1,0,0,0,0,0|2,0,0]=3 808 B8R0.8 CCCSC(C)C(=O)C 62a_100000210303_100009814033 [1,0,0,0,0,0|2,0,0]=3 809 B8R0.8 CCCSC(C)C(=O)C 62a_100009814033_100000210303 [1,0,0,0,0,0|2,0,0]=3 810 B8R0.8 CCCSC(C)C(=O)N 62a_100000210303_100000702099 [1,0,0,0,0,0|2,0,0]=3 811 B8R0.8 CCCSC(C)C(=O)N 62a_100000702099_100000210303 [1,0,0,0,0,0|2,0,0]=3 812 B8R0.8 CCCSC(F)C(=O)N 62a_100000210303_100009813875 [1,0,0,0,0,0|3,0,0]=4 813 B8R0.8 CCCSC(F)C(=O)N 62a_100009813875_100000210303 [1,0,0,0,0,0|3,0,0]=4 814 B8R0.8 CCCSC(F)C(=O)[O-] 62a_100000210303_100020610796 [1,0,0,0,0,0|2,0,1]=4 815 B8R0.8 CCCSC(F)C(=O)[O-] 62a_100020610796_100000210303 [1,0,0,0,0,0|2,0,1]=4 816 B8R0.8 CCNCC(C)C(=O)O 269956a_100000749485_100000210202 [1,0,0,0,0,0|1,0,0]=2 817 B8R0.8 CCNCC(F)C(=O)O 269956a_100000084737_100000210202 [1,0,0,0,0,0|2,0,0]=3 818 B8R0.8 CCOCC(C)C(=O)C 34a_100000032740_100000210202 [1,0,0,0,0,0|2,0,0]=3 819 B8R0.8 CCOCC(C)C(=O)C 7a_100000032740_100000210202 [1,0,0,0,0,0|2,0,0]=3 820 B8R0.8 CCOCC(C)[N+](=O)[O-] 34a_100000039676_100000210202 [1,0,0,0,0,0|2,0,1]=4 821 B8R0.8 CCOCC(C)[N+](=O)[O-] 7a_100000039676_100000210202 [1,0,0,0,0,0|2,0,1]=4 822 B8R0.8 CCOC[C@H](N)C(=O)N 34a_100000729942_100000210202 [1,0,0,0,0,0|3,0,0]=4 823 B8R0.8 COCCN(C)C(=O)C 11a_100000743101_100015343762 [1,0,0,0,0,0|3,0,0]=4 824 B8R0.8 COCCN(C)C(=O)C 1626a_100000743101_100015343762 [1,0,0,0,0,0|3,0,0]=4 825 B8R0.8 COCCN(C)C(=O)C 240690a_100000743101_100015343762 [1,0,0,0,0,0|3,0,0]=4 826 B8R0.8 COCCN(C)C(=O)C 527a_100000743101_100103153847 [1,0,0,0,0,0|3,0,0]=4 827 B8R0.8 COCN[C@@H](C)C(=O)O 269956a_100000743915_100000766300 [1,0,0,0,0,0|2,0,0]=3 828 B8R0.8 COCN[C@H](C)C(=O)N 2230a_100000119354_100000766300 [1,0,0,0,0,0|3,0,0]=4 829 B8R0.8 COCSC(C)C(=O)C 62a_100000766300_100009814033 [1,0,0,0,0,0|3,0,0]=4 830 B8R0.8 COCSC(C)C(=O)C 62a_100009814033_100000766300 [1,0,0,0,0,0|3,0,0]=4 831 B8R0.8 COCSC(C)C(=O)N 62a_100000702099_100000766300 [1,0,0,0,0,0|3,0,0]=4 832 B8R0.8 COCSC(C)C(=O)N 62a_100000766300_100000702099 [1,0,0,0,0,0|3,0,0]=4 833 B8R0.8 CSCCC(O)C(=O)C 1458a_100000685904_200000210301 [1,0,0,0,0,0|3,0,0]=4 834 B8R0.8 CSCCC(O)C(=O)[13CH3] 1458a_100000685904_200025704644 [1,0,0,0,0,0|3,0,0]=4 835 B8R0.8 CSCCN(C)C(=O)C 11a_100000686725_100015343762 [1,0,0,0,0,0|3,0,0]=4 836 B8R0.8 CSCCN(C)C(=O)C 1626a_100000686725_100015343762 [1,0,0,0,0,0|3,0,0]=4 837 B8R0.8 CSCCN(C)C(=O)C 240690a_100000686725_100015343762 [1,0,0,0,0,0|3,0,0]=4 838 B8R0.8 CSCCN(C)C(=O)C 527a_100000686725_100103153847 [1,0,0,0,0,0|3,0,0]=4 839 B8R0.8 CSCN[C@@H](C)C(=O)O 269956a_100000743915_100011218213 [1,0,0,0,0,0|2,0,0]=3 840 B8R0.8 CSCN[C@H](C)C(=O)N 2230a_100000119354_100011218213 [1,0,0,0,0,0|3,0,0]=4 841 B8R0.8 CSCN[C@H](C)C(=O)N 34a_100000119354_100011218213 [1,0,0,0,0,0|3,0,0]=4 842 B8R0.8 CSCOC(C)C(=O)C 34a_100000212229_100011218213 [1,0,0,0,0,0|3,0,0]=4 843 B8R0.8 CSCO[C@H](C)C(=O)N 34a_100000731257_100011218213 [1,0,0,0,0,0|3,0,0]=4 844 B8R0.8 CSCSC(C)C(=O)C 62a_100009814033_100011218213 [1,0,0,0,0,0|3,0,0]=4 845 B8R0.8 CSCSC(C)C(=O)C 62a_100011218213_100009814033 [1,0,0,0,0,0|3,0,0]=4 846 B8R0.8 CSCSC(C)C(=O)N 62a_100000702099_100011218213 [1,0,0,0,0,0|3,0,0]=4 847 B8R0.8 CSCSC(C)C(=O)N 62a_100011218213_100000702099 [1,0,0,0,0,0|3,0,0]=4 848 B8R0.8 C[C@@H](NCCF)C(=O)N 2230a_100000119354_100011217306 [1,0,0,0,0,0|3,0,0]=4 849 B8R0.8 C[C@@H](NCCF)C(=O)N 34a_100000119354_100011217306 [1,0,0,0,0,0|3,0,0]=4 850 B8R0.8 C[C@@H](NCCO)C(=O)N 2230a_100000119354_100000211926 [1,0,0,0,0,0|3,0,0]=4 851 B8R0.8 C[C@@H](NCCO)C(=O)N 34a_100000119354_100000211926 [1,0,0,0,0,0|3,0,0]=4 852 B8R0.8 C[C@@H](OCCF)C(=O)N 34a_100000731257_100011217306 [1,0,0,0,0,0|3,0,0]=4 853 B8R0.8 C[C@@H](OCCF)C(=O)N 7a_100000731257_100011217306 [1,0,0,0,0,0|3,0,0]=4 854 B8R0.8 C[C@@H](OCCO)C(=O)N 34a_100000731257_100000211926 [1,0,0,0,0,0|3,0,0]=4 855 B8R0.8 C[C@@H](OCCO)C(=O)N 7a_100000731257_100000211926 [1,0,0,0,0,0|3,0,0]=4 856 B8R0.8 C[C@H](NCC#N)C(=O)O 269956a_100000743915_100011215382 [1,0,0,0,0,0|2,0,1]=4 857 B8R0.8 C[C@H](NCC=O)C(=O)O 269956a_100000743915_200015260668 [1,0,0,0,0,0|2,0,1]=4 858 B8R0.8 C[C@H](NCCF)C(=O)O 269956a_100000743915_100011217306 [1,0,0,0,0,0|2,0,0]=3 859 B8R0.8 C[C@H](NCCO)C(=O)O 269956a_100000743915_100000211926 [1,0,0,0,0,0|2,0,0]=3 860 B8R0.8 C[C@H](OCCF)C(=O)[O-] 7a_217856618621_100011217306 [1,0,0,0,0,0|2,0,1]=4 861 B8R0.8 C[C@H](OCCO)C(=O)[O-] 7a_217856618621_100000211926 [1,0,0,0,0,0|2,0,1]=4 862 B8R0.8 O=C(O)C(F)CNCF 269956a_100000084737_100015361967 [1,0,0,0,0,0|3,0,0]=4 863 B10R0.5 CCCCCN(C)S(=O)(=O)C 40a_100000223495_100000738038 [0,1,0,0,0,0|2,0,1]=4 864 B10R0.5 CCCCNC(C)C(C)(C)O 269862a_100000102301_100000747739 [0,1,0,0,0,0|2,0,1]=4 865 B10R0.5 CCCCN[C@@H](C)C(C)(C)O 2230a_100025708725_100000210211 [0,1,0,0,0,0|2,0,1]=4 866 B10R0.26 C=C(C)C(C)NC(C)CCC 269862a_100000741246_100011216138 [0,1,0,0,0,0|3,0,0]=4 867 B10R0.26 CC(=O)C(C)N[C@H](C)CCO 2230a_100000706166_100009814033 [0,1,0,0,0,0|3,0,0]=4 868 B10R0.26 CC(=O)C(C)OC(C)CCO 34a_100000212229_100009893172 [0,1,0,0,0,0|3,0,0]=4 869 B10R0.26 CC(=O)C(C)SC(C)CCO 62a_100009814033_100009893172 [0,1,0,0,0,0|3,0,0]=4 870 B10R0.26 CC(=O)C(C)SC(C)CCO 62a_100009893172_100009814033 [0,1,0,0,0,0|3,0,0]=4 871 B10R0.26 CC(CC#N)N[C@@H](C)C(=O)O 269956a_100000743915_100009813641 [0,1,0,0,0,0|2,0,1]=4 872 B10R0.26 CC(CCBr)OC(C)C(=O)N 34a_100012276601_100000702099 [0,1,0,0,0,0|3,0,0]=4 873 B10R0.26 CC(CCO)N[C@@H](C)C(=O)O 269956a_100000743915_100009893172 [0,1,0,0,0,0|2,0,0]=3 874 B10R0.26 CC(CCO)N[C@H](C)C(=O)N 2230a_100000119354_100009893172 [0,1,0,0,0,0|3,0,0]=4 875 B10R0.26 CC(CCO)N[C@H](C)C(=O)N 34a_100000119354_100009893172 [0,1,0,0,0,0|3,0,0]=4 876 B10R0.26 CC(CCO)O[C@@H](C)C(=O)[O-] 7a_217856618621_100009893172 [0,1,0,0,0,0|2,0,1]=4 877 B10R0.26 CC(CCO)O[C@H](C)C(=O)N 34a_100000731257_100009893172 [0,1,0,0,0,0|3,0,0]=4 878 B10R0.26 CC(CCO)O[C@H](C)C(=O)N 7a_100000731257_100009893172 [0,1,0,0,0,0|3,0,0]=4 879 B10R0.26 CC(CCO)SC(C)C(=O)N 62a_100000702099_100009893172 [0,1,0,0,0,0|3,0,0]=4 880 B10R0.26 CC(CCO)SC(C)C(=O)N 62a_100009893172_100000702099 [0,1,0,0,0,0|3,0,0]=4 881 B10R0.26 CC(N[C@H](C)CCO)C(=O)N 2230a_100000706166_100000702099 [0,1,0,0,0,0|3,0,0]=4 882 B10R0.26 CC(N[C@H](C)CCO)C(=O)N 34a_100000706166_100000702099 [0,1,0,0,0,0|3,0,0]=4 883 B10R0.26 CCCC(=O)CN(C)C(=O)C 1458a_100000194957_100000210303 [0,1,0,0,0,0|2,0,1]=4 884 B10R0.26 CCCC(=O)CN(C)C(=O)N 1458a_100000218718_100000210303 [0,1,0,0,0,0|2,0,1]=4 885 B10R0.26 CCCC(=O)NC(C)C(=O)C 1458a_100000205598_200000210301 [0,1,0,0,0,0|2,0,1]=4 886 B10R0.26 CCCC(=O)NC(C)C(=O)[13CH3] 1458a_100000205598_200025704644 [0,1,0,0,0,0|2,0,1]=4 887 B10R0.26 CCCC(=O)N[C@H](C)C(=O)N 11a_100000119354_100000211992 [0,1,0,0,0,0|2,0,1]=4 888 B10R0.26 CCCC(=O)N[C@H](C)C(=O)N 240690a_100000119354_100000211992 [0,1,0,0,0,0|2,0,1]=4 889 B10R0.26 CCCC(=O)N[C@H](C)C(=O)N 527a_100000119354_100000211992 [0,1,0,0,0,0|2,0,1]=4 890 B10R0.26 CCCC(C)NC(C)C(=O)C 2230a_100000741246_100009814033 [0,1,0,0,0,0|2,0,0]=3 891 B10R0.26 CCCC(C)NC(C)C(=O)N 2230a_100000741246_100000702099 [0,1,0,0,0,0|2,0,0]=3 892 B10R0.26 CCCC(C)NC(F)C(=O)N 2230a_100000741246_100009813875 [0,1,0,0,0,0|3,0,0]=4 893 B10R0.26 CCCC(C)N[C@@H](C)C(=O)O 269956a_100000743915_100000766640 [0,1,0,0,0,0|1,0,0]=2 894 B10R0.26 CCCC(C)N[C@H](C)C(=O)N 2230a_100000119354_100000766640 [0,1,0,0,0,0|2,0,0]=3 895 B10R0.26 CCCC(C)N[C@H](C)C(=O)N 270004a_100000119354_100000211909 [0,1,0,0,0,0|2,0,0]=3 896 B10R0.26 CCCC(C)N[C@H](C)C(=O)N 34a_100000119354_100000766640 [0,1,0,0,0,0|2,0,0]=3 897 B10R0.26 CCCC(C)OC(C)C(=O)C 34a_100000212229_100000766640 [0,1,0,0,0,0|2,0,0]=3 898 B10R0.26 CCCC(C)OC(C)C(=O)C 7a_100000764384_100000179758 [0,1,0,0,0,0|2,0,0]=3 899 B10R0.26 CCCC(C)OC(C)C(=O)N 34a_100000764384_100000702099 [0,1,0,0,0,0|2,0,0]=3 900 B10R0.26 CCCC(C)OC(C)C(=O)N 7a_100000764384_100000702099 [0,1,0,0,0,0|2,0,0]=3 901 B10R0.26 CCCC(C)OC(F)C(=O)N 34a_100000764384_100009813875 [0,1,0,0,0,0|3,0,0]=4 902 B10R0.26 CCCC(C)OC(F)C(=O)N 7a_100000764384_100009813875 [0,1,0,0,0,0|3,0,0]=4 903 B10R0.26 CCCC(C)OC(F)C(=O)[O-] 34a_100000764384_100020610796 [0,1,0,0,0,0|2,0,1]=4 904 B10R0.26 CCCC(C)O[C@@H](C)C(=O)[O-] 7a_217856618621_100000766640 [0,1,0,0,0,0|1,0,1]=3 905 B10R0.26 CCCC(C)O[C@H](C)C(=O)N 34a_100000731257_100000766640 [0,1,0,0,0,0|2,0,0]=3 906 B10R0.26 CCCC(C)O[C@H](C)C(=O)N 7a_100000731257_100000766640 [0,1,0,0,0,0|2,0,0]=3 907 B10R0.26 CCCC(C)SC(C)C(=O)C 62a_100000766640_100009814033 [0,1,0,0,0,0|2,0,0]=3 908 B10R0.26 CCCC(C)SC(C)C(=O)C 62a_100009814033_100000766640 [0,1,0,0,0,0|2,0,0]=3 909 B10R0.26 CCCC(C)SC(C)C(=O)N 62a_100000702099_100000766640 [0,1,0,0,0,0|2,0,0]=3 910 B10R0.26 CCCC(C)SC(C)C(=O)N 62a_100000766640_100000702099 [0,1,0,0,0,0|2,0,0]=3 911 B10R0.26 CCCC(C)SC(F)C(=O)N 62a_100000766640_100009813875 [0,1,0,0,0,0|3,0,0]=4 912 B10R0.26 CCCC(C)SC(F)C(=O)N 62a_100009813875_100000766640 [0,1,0,0,0,0|3,0,0]=4 913 B10R0.26 CCCC(C)SC(F)C(=O)[O-] 62a_100000766640_100020610796 [0,1,0,0,0,0|2,0,1]=4 914 B10R0.26 CCCC(C)SC(F)C(=O)[O-] 62a_100020610796_100000766640 [0,1,0,0,0,0|2,0,1]=4 915 B10R0.26 CCOC(=O)CC(C)C(=O)C 1458a_100000070787_100009817359 [0,1,0,0,0,0|2,0,1]=4 916 B10R0.26 CNCC(=O)N[C@@H](C)C(=O)O 269956a_100011417567_200000210301 [0,1,0,0,0,0|2,0,1]=4 917 B10R0.26 COCC(C)N[C@@H](C)C(=O)O 269956a_100000743915_100000765312 [0,1,0,0,0,0|2,0,0]=3 918 B10R0.26 COCC(C)N[C@H](C)C(=O)N 2230a_100000119354_100000765312 [0,1,0,0,0,0|3,0,0]=4 919 B10R0.26 COCC(C)N[C@H](C)C(=O)N 270004a_100000119354_100000749346 [0,1,0,0,0,0|3,0,0]=4 920 B10R0.26 COCC(C)N[C@H](C)C(=O)N 34a_100000119354_100000765312 [0,1,0,0,0,0|3,0,0]=4 921 B10R0.26 COCC(C)OC(C)C(=O)C 34a_100000212229_100000765312 [0,1,0,0,0,0|3,0,0]=4 922 B10R0.26 COCC(C)O[C@@H](C)C(=O)[O-] 7a_217856618621_100000765312 [0,1,0,0,0,0|2,0,1]=4 923 B10R0.26 COCC(C)O[C@H](C)C(=O)N 34a_100000731257_100000765312 [0,1,0,0,0,0|3,0,0]=4 924 B10R0.26 COCC(C)O[C@H](C)C(=O)N 7a_100000731257_100000765312 [0,1,0,0,0,0|3,0,0]=4 925 B10R0.26 COCC(C)SC(C)C(=O)C 62a_100000765312_100009814033 [0,1,0,0,0,0|3,0,0]=4 926 B10R0.26 COCC(C)SC(C)C(=O)C 62a_100009814033_100000765312 [0,1,0,0,0,0|3,0,0]=4 927 B10R0.26 COCC(C)SC(C)C(=O)N 62a_100000702099_100000765312 [0,1,0,0,0,0|3,0,0]=4 928 B10R0.26 COCC(C)SC(C)C(=O)N 62a_100000765312_100000702099 [0,1,0,0,0,0|3,0,0]=4 929 B10R0.26 COCC(O)CN(C)C(=O)C 240690a_100000739405_100015343762 [0,1,0,0,0,0|3,0,0]=4 930 B10R0.26 COCC(O)CN(C)C(=O)C 527a_100000739405_100103153847 [0,1,0,0,0,0|3,0,0]=4 931 B10R0.26 COC[C@@H](C)NC(C)C(=O)C 2230a_100000764878_100009814033 [0,1,0,0,0,0|3,0,0]=4 932 B10R0.26 COC[C@@H](C)NC(C)C(=O)N 2230a_100000764878_100000702099 [0,1,0,0,0,0|3,0,0]=4 933 B10R0.26 COC[C@@H](C)OC(C)C(=O)N 34a_100011934205_100000702099 [0,1,0,0,0,0|3,0,0]=4 934 B10R0.26 CSCC(C)N[C@H](C)C(=O)N 270004a_100000119354_100011216314 [0,1,0,0,0,0|3,0,0]=4 935 B10R0.26 C[C@H](NC(=O)CN[13CH3])C(=O)O 269956a_100011417567_200025704644 [0,1,0,0,0,0|2,0,1]=4 936 B10R0.42 C#CCNCC(C)(C)C(=O)O 269956a_100000693527_100000184674 [0,1,0,0,0,0|1,0,2]=4 937 B10R0.42 C=CCNCC(C)(C)C(=O)O 269956a_100000693527_100000210623 [0,1,0,0,0,0|1,0,2]=4 938 B10R0.42 CC(=O)C(C)(C)OCCCF 34a_100000747739_100011934791 [0,1,0,0,0,0|3,0,0]=4 939 B10R0.42 CC(=O)C(C)(C)OCCCF 7a_100000747739_100011934791 [0,1,0,0,0,0|3,0,0]=4 940 B10R0.42 CC(=O)C(C)(C)OCCCO 34a_100000747739_100000230001 [0,1,0,0,0,0|3,0,0]=4 941 B10R0.42 CC(=O)C(C)(C)OCCCO 7a_100000747739_100011215043 [0,1,0,0,0,0|3,0,0]=4 942 B10R0.42 CC(=O)C(C)(C)SCCCF 62a_100000075568_100011934791 [0,1,0,0,0,0|3,0,0]=4 943 B10R0.42 CC(=O)C(C)(C)SCCCF 62a_100011934791_100000075568 [0,1,0,0,0,0|3,0,0]=4 944 B10R0.42 CC(=O)C(C)(C)SCCCO 62a_100000075568_100011215043 [0,1,0,0,0,0|3,0,0]=4 945 B10R0.42 CC(=O)C(C)(C)SCCCO 62a_100011215043_100000075568 [0,1,0,0,0,0|3,0,0]=4 946 B10R0.42 CC(C)(CNCC#N)C(=O)O 269956a_100000693527_100011215382 [0,1,0,0,0,0|2,0,1]=4 947 B10R0.42 CC(C)(CNCC=O)C(=O)O 269956a_100000693527_200015260668 [0,1,0,0,0,0|2,0,1]=4 948 B10R0.42 CC(C)(CNCCF)C(=O)N 2230a_100000740840_100011217306 [0,1,0,0,0,0|3,0,0]=4 949 B10R0.42 CC(C)(CNCCF)C(=O)N 34a_100000724931_200009895572 [0,1,0,0,0,0|3,0,0]=4 950 B10R0.42 CC(C)(CNCCF)C(=O)N 34a_100000740840_100011217306 [0,1,0,0,0,0|3,0,0]=4 951 B10R0.42 CC(C)(CNCCF)C(=O)O 269956a_100000693527_100011217306 [0,1,0,0,0,0|2,0,0]=3 952 B10R0.42 CC(C)(CNCCO)C(=O)N 2230a_100000740840_100000211926 [0,1,0,0,0,0|3,0,0]=4 953 B10R0.42 CC(C)(CNCCO)C(=O)N 34a_100000740840_100000211926 [0,1,0,0,0,0|3,0,0]=4 954 B10R0.42 CC(C)(CNCCO)C(=O)N 34a_100016990907_200009895572 [0,1,0,0,0,0|3,0,0]=4 955 B10R0.42 CC(C)(CNCCO)C(=O)O 269956a_100000693527_100000211926 [0,1,0,0,0,0|2,0,0]=3 956 B10R0.42 CC(C)(COCCBr)C(=O)N 34a_100000211926_200009895572 [0,1,0,0,0,0|3,0,0]=4 957 B10R0.42 CC(C)(COCCN)C(=O)N 34a_100000210304_200009895572 [0,1,0,0,0,0|3,0,0]=4 958 B10R0.42 CC(C)(CSCCF)C(=O)N 62a_100011217306_200009895572 [0,1,0,0,0,0|3,0,0]=4 959 B10R0.42 CC(C)(CSCCF)C(=O)N 62a_200009895572_100011217306 [0,1,0,0,0,0|3,0,0]=4 960 B10R0.42 CC(C)(CSCCO)C(=O)N 62a_100000211926_200009895572 [0,1,0,0,0,0|3,0,0]=4 961 B10R0.42 CC(C)(CSCCO)C(=O)N 62a_200009895572_100000211926 [0,1,0,0,0,0|3,0,0]=4 962 B10R0.42 CC(C)(NCCCF)C(=O)N 2230a_100000743658_100011934791 [0,1,0,0,0,0|3,0,0]=4 963 B10R0.42 CC(C)(NCCCF)C(=O)N 2230a_100015189416_100000702505 [0,1,0,0,0,0|3,0,0]=4 964 B10R0.42 CC(C)(NCCCF)C(=O)N 34a_100000743658_100011934791 [0,1,0,0,0,0|3,0,0]=4 965 B10R0.42 CC(C)(NCCCF)C(=O)N 34a_100015189416_100000702505 [0,1,0,0,0,0|3,0,0]=4 966 B10R0.42 CC(C)(NCCCO)C(=O)N 2230a_100000743658_100000230001 [0,1,0,0,0,0|3,0,0]=4 967 B10R0.42 CC(C)(NCCCO)C(=O)N 34a_100000743658_100000230001 [0,1,0,0,0,0|3,0,0]=4 968 B10R0.42 CC(C)(OCCCBr)C(=O)N 34a_100011217188_100000702505 [0,1,0,0,0,0|3,0,0]=4 969 B10R0.42 CC(C)(OCCCCl)C(=O)N 34a_100000230001_100000702505 [0,1,0,0,0,0|3,0,0]=4 970 B10R0.42 CC(C)(OCCCF)C(=O)N 34a_100000759539_100000702505 [0,1,0,0,0,0|3,0,0]=4 971 B10R0.42 CC(C)(OCCCF)C(=O)N 34a_100011626353_100011934791 [0,1,0,0,0,0|3,0,0]=4 972 B10R0.42 CC(C)(OCCCF)C(=O)N 7a_100011626353_100011934791 [0,1,0,0,0,0|3,0,0]=4 973 B10R0.42 CC(C)(OCCCN)C(=O)N 34a_100000182051_100000702505 [0,1,0,0,0,0|3,0,0]=4 974 B10R0.42 CC(C)(OCCCO)C(=O)N 34a_100011626353_100000230001 [0,1,0,0,0,0|3,0,0]=4 975 B10R0.42 CC(C)(OCCCO)C(=O)N 7a_100011626353_100011215043 [0,1,0,0,0,0|3,0,0]=4 976 B10R0.42 CC(C)(ONCCF)C(=O)O 269956a_100016989451_100011217306 [0,1,0,0,0,0|3,0,0]=4 977 B10R0.42 CC(C)(ONCCO)C(=O)O 269956a_100016989451_100000211926 [0,1,0,0,0,0|3,0,0]=4 978 B10R0.42 CC(C)(SCCCF)C(=O)N 62a_100000702505_100011934791 [0,1,0,0,0,0|3,0,0]=4 979 B10R0.42 CC(C)(SCCCF)C(=O)N 62a_100011934791_100000702505 [0,1,0,0,0,0|3,0,0]=4 980 B10R0.42 CC(C)(SCCCO)C(=O)N 62a_100000702505_100011215043 [0,1,0,0,0,0|3,0,0]=4 981 B10R0.42 CC(C)(SCCCO)C(=O)N 62a_100011215043_100000702505 [0,1,0,0,0,0|3,0,0]=4 982 B10R0.42 CCCCNC(C)(C)C(=O)C 7a_106832991798_100000075568 [0,1,0,0,0,0|2,0,0]=3 983 B10R0.42 CCCCNC(C)(C)C(=O)N 2230a_100000102301_100000702505 [0,1,0,0,0,0|2,0,0]=3 984 B10R0.42 CCCCNC(C)(C)C(=O)N 2230a_100000743658_100000210211 [0,1,0,0,0,0|2,0,0]=3 985 B10R0.42 CCCCNC(C)(C)C(=O)N 34a_100000743658_100000210210 [0,1,0,0,0,0|2,0,0]=3 986 B10R0.42 CCCCNC(C)(C)C(=O)N 7a_106832991798_100000702505 [0,1,0,0,0,0|2,0,0]=3 987 B10R0.42 CCCCNC(F)(F)C(=O)N 7a_106832991798_100009811971 [0,1,0,0,0,0|3,0,0]=4 988 B10R0.42 CCCCOC(C)(C)C(=O)C 34a_100000747739_100000210210 [0,1,0,0,0,0|2,0,0]=3 989 B10R0.42 CCCCOC(C)(C)C(=O)C 7a_100000210227_100000075568 [0,1,0,0,0,0|2,0,0]=3 990 B10R0.42 CCCCOC(C)(C)C(=O)C 7a_100000747739_100000210211 [0,1,0,0,0,0|2,0,0]=3 991 B10R0.42 CCCCOC(C)(C)C(=O)N 34a_100000210227_100000702505 [0,1,0,0,0,0|2,0,0]=3 992 B10R0.42 CCCCOC(C)(C)C(=O)N 34a_100011626353_100000210210 [0,1,0,0,0,0|2,0,0]=3 993 B10R0.42 CCCCOC(C)(C)C(=O)N 7a_100000210227_100000702505 [0,1,0,0,0,0|2,0,0]=3 994 B10R0.42 CCCCOC(C)(C)C(=O)N 7a_100011626353_100000210211 [0,1,0,0,0,0|2,0,0]=3 995 B10R0.42 CCCCOC(F)(F)C(=O)N 7a_100000210227_100009811971 [0,1,0,0,0,0|3,0,0]=4 996 B10R0.42 CCCCOC(F)(F)C(=O)[O-] 34a_100000210227_100020612412 [0,1,0,0,0,0|2,0,1]=4 997 B10R0.42 CCCCSC(C)(C)C(=O)C 62a_100000075568_100000210210 [0,1,0,0,0,0|2,0,0]=3 998 B10R0.42 CCCCSC(C)(C)C(=O)C 62a_100000210211_100000075568 [0,1,0,0,0,0|2,0,0]=3 999 B10R0.42 CCCCSC(C)(C)C(=O)N 62a_100000210211_100000702505 [0,1,0,0,0,0|2,0,0]=3 1000 B10R0.42 CCCCSC(C)(C)C(=O)N 62a_100000702505_100000210210 [0,1,0,0,0,0|2,0,0]=3 1001 B10R0.42 CCCCSC(C)(C)[N+](=O)[O-] 62a_100000210211_200009813997 [0,1,0,0,0,0|2,0,1]=4 1002 B10R0.42 CCCCSC(C)(C)[N+](=O)[O-] 62a_200009813997_100000210210 [0,1,0,0,0,0|2,0,1]=4 1003 B10R0.42 CCCCSC(F)(F)C(=O)N 62a_100000210211_100009811971 [0,1,0,0,0,0|3,0,0]=4 1004 B10R0.42 CCCCSC(F)(F)C(=O)N 62a_100009811971_100000210210 [0,1,0,0,0,0|3,0,0]=4 1005 B10R0.42 CCCCSC(F)(F)C(=O)[O-] 62a_100000210211_100000745680 [0,1,0,0,0,0|2,0,1]=4 1006 B10R0.42 CCCCSC(F)(F)C(=O)[O-] 62a_100000745680_100000210210 [0,1,0,0,0,0|2,0,1]=4 1007 B10R0.42 CCCNCC(C)(C)C(=O)N 2230a_100000740840_100000210303 [0,1,0,0,0,0|2,0,0]=3 1008 B10R0.42 CCCNCC(C)(C)C(=O)N 34a_100000740840_100000210303 [0,1,0,0,0,0|2,0,0]=3 1009 B10R0.42 CCCNCC(C)(C)C(=O)O 269956a_100000693527_100000210207 [0,1,0,0,0,0|1,0,0]=2 1010 B10R0.42 CCCNCC(F)(F)C(=O)O 269956a_100000734215_100000210207 [0,1,0,0,0,0|2,0,0]=3 1011 B10R0.42 CCCNOC(C)(C)C(=O)O 269956a_100016989451_100000210207 [0,1,0,0,0,0|2,0,0]=3 1012 B10R0.42 CCCOCC(C)(C)C(=O)N 34a_100000210258_200009895572 [0,1,0,0,0,0|2,0,0]=3 1013 B10R0.42 CCCOCC(C)(C)[N+](=O)[O-] 34a_100000032158_100000210303 [0,1,0,0,0,0|2,0,1]=4 1014 B10R0.42 CCCOCC(C)(C)[N+](=O)[O-] 7a_100000032158_100000210303 [0,1,0,0,0,0|2,0,1]=4 1015 B10R0.42 CCCSCC(C)(C)C(=O)N 62a_100000210303_200009895572 [0,1,0,0,0,0|2,0,0]=3 1016 B10R0.42 CCCSCC(C)(C)C(=O)N 62a_200009895572_100000210303 [0,1,0,0,0,0|2,0,0]=3 1017 B10R0.42 CCOCSC(C)(C)C(=O)C 62a_100000075568_100000739092 [0,1,0,0,0,0|3,0,0]=4 1018 B10R0.42 CCOCSC(C)(C)C(=O)C 62a_100000739092_100000075568 [0,1,0,0,0,0|3,0,0]=4 1019 B10R0.42 CCOCSC(C)(C)C(=O)N 62a_100000702505_100000739092 [0,1,0,0,0,0|3,0,0]=4 1020 B10R0.42 CCOCSC(C)(C)C(=O)N 62a_100000739092_100000702505 [0,1,0,0,0,0|3,0,0]=4 1021 B10R0.42 COCCNC(C)(C)C(=O)N 2230a_100000209980_100000702505 [0,1,0,0,0,0|3,0,0]=4 1022 B10R0.42 COCCNC(C)(C)C(=O)N 2230a_100000743658_100011201679 [0,1,0,0,0,0|3,0,0]=4 1023 B10R0.42 COCCNC(C)(C)C(=O)N 34a_100000743658_100011201679 [0,1,0,0,0,0|3,0,0]=4 1024 B10R0.42 COCCOC(C)(C)C(=O)C 34a_100000747739_100011201679 [0,1,0,0,0,0|3,0,0]=4 1025 B10R0.42 COCCOC(C)(C)C(=O)C 7a_100000747739_100000233755 [0,1,0,0,0,0|3,0,0]=4 1026 B10R0.42 COCCOC(C)(C)C(=O)N 34a_100000210237_100000702505 [0,1,0,0,0,0|3,0,0]=4 1027 B10R0.42 COCCOC(C)(C)C(=O)N 34a_100011626353_100011201679 [0,1,0,0,0,0|3,0,0]=4 1028 B10R0.42 COCCOC(C)(C)C(=O)N 7a_100011626353_100000233755 [0,1,0,0,0,0|3,0,0]=4 1029 B10R0.42 COCCSC(C)(C)C(=O)C 62a_100000075568_100000233755 [0,1,0,0,0,0|3,0,0]=4 1030 B10R0.42 COCCSC(C)(C)C(=O)C 62a_100000233755_100000075568 [0,1,0,0,0,0|3,0,0]=4 1031 B10R0.42 COCCSC(C)(C)C(=O)N 62a_100000233755_100000702505 [0,1,0,0,0,0|3,0,0]=4 1032 B10R0.42 COCCSC(C)(C)C(=O)N 62a_100000702505_100000233755 [0,1,0,0,0,0|3,0,0]=4 1033 B10R0.42 COCNCC(C)(C)C(=O)N 2230a_100000740840_100000766300 [0,1,0,0,0,0|3,0,0]=4 1034 B10R0.42 COCNCC(C)(C)C(=O)O 269956a_100000693527_100000766300 [0,1,0,0,0,0|2,0,0]=3 1035 B10R0.42 COCNCC(F)(F)C(=O)O 269956a_100000734215_100000766300 [0,1,0,0,0,0|3,0,0]=4 1036 B10R0.42 COCNOC(C)(C)C(=O)O 269956a_100016989451_100000766300 [0,1,0,0,0,0|3,0,0]=4 1037 B10R0.42 COCSCC(C)(C)C(=O)N 62a_100000766300_200009895572 [0,1,0,0,0,0|3,0,0]=4 1038 B10R0.42 COCSCC(C)(C)C(=O)N 62a_200009895572_100000766300 [0,1,0,0,0,0|3,0,0]=4 1039 B10R0.42 CSCCNC(C)(C)C(=O)N 2230a_100000743658_100000751147 [0,1,0,0,0,0|3,0,0]=4 1040 B10R0.42 CSCCNC(C)(C)C(=O)N 2230a_100020590264_100000702505 [0,1,0,0,0,0|3,0,0]=4 1041 B10R0.42 CSCCNC(C)(C)C(=O)N 34a_100000743658_100000212216 [0,1,0,0,0,0|3,0,0]=4 1042 B10R0.42 CSCCOC(C)(C)C(=O)C 34a_100000747739_100000212216 [0,1,0,0,0,0|3,0,0]=4 1043 B10R0.42 CSCCOC(C)(C)C(=O)C 7a_100000230434_100000075568 [0,1,0,0,0,0|3,0,0]=4 1044 B10R0.42 CSCCOC(C)(C)C(=O)C 7a_100000747739_100000212216 [0,1,0,0,0,0|3,0,0]=4 1045 B10R0.42 CSCCOC(C)(C)C(=O)N 34a_100000230434_100000702505 [0,1,0,0,0,0|3,0,0]=4 1046 B10R0.42 CSCCOC(C)(C)C(=O)N 34a_100011626353_100000212216 [0,1,0,0,0,0|3,0,0]=4 1047 B10R0.42 CSCCOC(C)(C)C(=O)N 7a_100000230434_100000702505 [0,1,0,0,0,0|3,0,0]=4 1048 B10R0.42 CSCCOC(C)(C)C(=O)N 7a_100011626353_100000212216 [0,1,0,0,0,0|3,0,0]=4 1049 B10R0.42 CSCCSC(C)(C)C(=O)C 62a_100000075568_100000751147 [0,1,0,0,0,0|3,0,0]=4 1050 B10R0.42 CSCCSC(C)(C)C(=O)C 62a_100000212216_100000075568 [0,1,0,0,0,0|3,0,0]=4 1051 B10R0.42 CSCCSC(C)(C)C(=O)N 62a_100000212216_100000702505 [0,1,0,0,0,0|3,0,0]=4 1052 B10R0.42 CSCCSC(C)(C)C(=O)N 62a_100000702505_100000751147 [0,1,0,0,0,0|3,0,0]=4 1053 B10R0.42 CSCNCC(C)(C)C(=O)N 2230a_100000740840_100011218213 [0,1,0,0,0,0|3,0,0]=4 1054 B10R0.42 CSCNCC(C)(C)C(=O)N 34a_100000740840_100011218213 [0,1,0,0,0,0|3,0,0]=4 1055 B10R0.42 CSCNCC(C)(C)C(=O)O 269956a_100000693527_100011218213 [0,1,0,0,0,0|2,0,0]=3 1056 B10R0.42 CSCNCC(F)(F)C(=O)O 269956a_100000734215_100011218213 [0,1,0,0,0,0|3,0,0]=4 1057 B10R0.42 CSCNOC(C)(C)C(=O)O 269956a_100016989451_100011218213 [0,1,0,0,0,0|3,0,0]=4 1058 B10R0.42 CSCSCC(C)(C)C(=O)N 62a_100011218213_200009895572 [0,1,0,0,0,0|3,0,0]=4 1059 B10R0.42 CSCSCC(C)(C)C(=O)N 62a_200009895572_100011218213 [0,1,0,0,0,0|3,0,0]=4 1060 B10R0.42 O=C(O)C(F)(F)CNCCF 269956a_100000734215_100011217306 [0,1,0,0,0,0|3,0,0]=4 1061 B10R0.42 O=C(O)C(F)(F)CNCCO 269956a_100000734215_100000211926 [0,1,0,0,0,0|3,0,0]=4 1062 B10R0.75 C#CCCCNC(C)C(=O)N 34a_100000718082_100000702099 [0,1,0,0,0,0|1,0,2]=4 1063 B10R0.75 C#CCCCN[C@@H](C)C(=O)O 269956a_100000743915_100011215417 [0,1,0,0,0,0|0,0,2]=3 1064 B10R0.75 C#CCCCN[C@H](C)C(=O)N 2230a_100000119354_100000731252 [0,1,0,0,0,0|1,0,2]=4 1065 B10R0.75 C#CCCCN[C@H](C)C(=O)N 34a_100000119354_100000695029 [0,1,0,0,0,0|1,0,2]=4 1066 B10R0.75 C#CCCCOC(C)C(=O)C 34a_100000212229_100000695029 [0,1,0,0,0,0|1,0,2]=4 1067 B10R0.75 C#CCCCOC(C)C(=O)C 7a_100000215630_100000179758 [0,1,0,0,0,0|1,0,2]=4 1068 B10R0.75 C#CCCCOC(C)C(=O)N 34a_100000215630_100000702099 [0,1,0,0,0,0|1,0,2]=4 1069 B10R0.75 C#CCCCOC(C)C(=O)N 7a_100000215630_100000702099 [0,1,0,0,0,0|1,0,2]=4 1070 B10R0.75 C#CCCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100011215417 [0,1,0,0,0,0|0,0,3]=4 1071 B10R0.75 C#CCCCO[C@H](C)C(=O)N 34a_100000731257_100000695029 [0,1,0,0,0,0|1,0,2]=4 1072 B10R0.75 C#CCCCO[C@H](C)C(=O)N 7a_100000731257_100011215417 [0,1,0,0,0,0|1,0,2]=4 1073 B10R0.75 C#CCCCSC(C)C(=O)C 62a_100009814033_100011215417 [0,1,0,0,0,0|1,0,2]=4 1074 B10R0.75 C#CCCCSC(C)C(=O)C 62a_100011215417_100009814033 [0,1,0,0,0,0|1,0,2]=4 1075 B10R0.75 C#CCCCSC(C)C(=O)N 62a_100000702099_100011215417 [0,1,0,0,0,0|1,0,2]=4 1076 B10R0.75 C#CCCCSC(C)C(=O)N 62a_100011215417_100000702099 [0,1,0,0,0,0|1,0,2]=4 1077 B10R0.75 C#CCCNCC(C)C(=O)O 269956a_100000749485_100000688953 [0,1,0,0,0,0|0,0,2]=3 1078 B10R0.75 C#CCCNCC(F)C(=O)O 269956a_100000084737_100000688953 [0,1,0,0,0,0|1,0,2]=4 1079 B10R0.75 C#CCCOCC(C)C(=O)C 34a_100000032740_100000688953 [0,1,0,0,0,0|1,0,2]=4 1080 B10R0.75 C#CCCOCC(C)C(=O)C 7a_100000032740_100000688953 [0,1,0,0,0,0|1,0,2]=4 1081 B10R0.75 C/C=C/CCOC(C)C(=O)N 34a_100016278192_100000702099 [0,1,0,0,0,0|1,0,2]=4 1082 B10R0.75 C/C=C/CNCC(C)C(=O)O 269956a_100000749485_100102629194 [0,1,0,0,0,0|0,0,2]=3 1083 B10R0.75 C/C=C/CNCC(F)C(=O)O 269956a_100000084737_100102629194 [0,1,0,0,0,0|1,0,2]=4 1084 B10R0.75 C/C=C/COCC(C)C(=O)C 34a_100000032740_100102629194 [0,1,0,0,0,0|1,0,2]=4 1085 B10R0.75 C/C=C/COCC(C)C(=O)C 7a_100000032740_100102629194 [0,1,0,0,0,0|1,0,2]=4 1086 B10R0.75 C=C(C)C(C)NCCCCC 269862a_100000209983_100011216138 [0,1,0,0,0,0|2,0,0]=3 1087 B10R0.75 C=C(C)C(C)NCCCCO 269862a_100000750430_100011216138 [0,1,0,0,0,0|3,0,0]=4 1088 B10R0.75 C=C(C)C(C)NCCCOC 269862a_100150723488_100011216138 [0,1,0,0,0,0|3,0,0]=4 1089 B10R0.75 C=C(C)C(C)NCCCSC 269862a_100000749238_100011216138 [0,1,0,0,0,0|3,0,0]=4 1090 B10R0.75 C=C(C)C(C)NCCOCC 269862a_100011200944_100011216138 [0,1,0,0,0,0|3,0,0]=4 1091 B10R0.75 C=C(C)C(C)NCCSCC 269862a_100000106463_100011216138 [0,1,0,0,0,0|3,0,0]=4 1092 B10R0.75 C=CCCCCN(C)C(=O)C 11a_100012000471_100015343762 [0,1,0,0,0,0|2,0,1]=4 1093 B10R0.75 C=CCCCCN(C)C(=O)C 1626a_100012000471_100015343762 [0,1,0,0,0,0|2,0,1]=4 1094 B10R0.75 C=CCCCCN(C)C(=O)C 240690a_100012000471_100015343762 [0,1,0,0,0,0|2,0,1]=4 1095 B10R0.75 C=CCCCCN(C)C(=O)C 527a_100012000471_100103153847 [0,1,0,0,0,0|2,0,1]=4 1096 B10R0.75 C=CCCCNC(C)C(=O)C 2230a_100000700776_100009814033 [0,1,0,0,0,0|1,0,2]=4 1097 B10R0.75 C=CCCCNC(C)C(=O)N 2230a_100000700776_100000702099 [0,1,0,0,0,0|1,0,2]=4 1098 B10R0.75 C=CCCCNC(C)C(=O)N 34a_100000700776_100000702099 [0,1,0,0,0,0|1,0,2]=4 1099 B10R0.75 C=CCCCN[C@@H](C)C(=O)O 269956a_100000743915_100011713584 [0,1,0,0,0,0|0,0,2]=3 1100 B10R0.75 C=CCCCN[C@H](C)C(=O)N 2230a_100000119354_100011713584 [0,1,0,0,0,0|1,0,2]=4 1101 B10R0.75 C=CCCCN[C@H](C)C(=O)N 34a_100000119354_100000757094 [0,1,0,0,0,0|1,0,2]=4 1102 B10R0.75 C=CCCCOC(C)C(=O)C 34a_100000212229_100000757094 [0,1,0,0,0,0|1,0,2]=4 1103 B10R0.75 C=CCCCOC(C)C(=O)C 7a_100000758997_100000179758 [0,1,0,0,0,0|1,0,2]=4 1104 B10R0.75 C=CCCCOC(C)C(=O)N 34a_100000758997_100000702099 [0,1,0,0,0,0|1,0,2]=4 1105 B10R0.75 C=CCCCOC(C)C(=O)N 7a_100000758997_100000702099 [0,1,0,0,0,0|1,0,2]=4 1106 B10R0.75 C=CCCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000757094 [0,1,0,0,0,0|0,0,3]=4 1107 B10R0.75 C=CCCCO[C@H](C)C(=O)N 34a_100000731257_100000757094 [0,1,0,0,0,0|1,0,2]=4 1108 B10R0.75 C=CCCCO[C@H](C)C(=O)N 7a_100000731257_100000757094 [0,1,0,0,0,0|1,0,2]=4 1109 B10R0.75 C=CCCCSC(C)C(=O)C 62a_100009814033_100000757094 [0,1,0,0,0,0|1,0,2]=4 1110 B10R0.75 C=CCCCSC(C)C(=O)C 62a_100011713584_100009814033 [0,1,0,0,0,0|1,0,2]=4 1111 B10R0.75 C=CCCCSC(C)C(=O)N 62a_100000702099_100000757094 [0,1,0,0,0,0|1,0,2]=4 1112 B10R0.75 C=CCCCSC(C)C(=O)N 62a_100011713584_100000702099 [0,1,0,0,0,0|1,0,2]=4 1113 B10R0.75 C=CCCNCC(C)C(=O)O 269956a_100000749485_100000754431 [0,1,0,0,0,0|0,0,2]=3 1114 B10R0.75 C=CCCNCC(F)C(=O)O 269956a_100000084737_100000754431 [0,1,0,0,0,0|1,0,2]=4 1115 B10R0.75 C=CCCOCC(C)C(=O)C 34a_100000032740_100000754431 [0,1,0,0,0,0|1,0,2]=4 1116 B10R0.75 C=CCCOCC(C)C(=O)C 7a_100000032740_100000754431 [0,1,0,0,0,0|1,0,2]=4 1117 B10R0.75 C=COCCN[C@@H](C)C(=O)O 269956a_100000743915_100000039644 [0,1,0,0,0,0|1,0,2]=4 1118 B10R0.75 CC#CCCOC(C)C(=O)N 34a_100000750427_100000702099 [0,1,0,0,0,0|1,0,2]=4 1119 B10R0.75 CC#CCNCC(C)C(=O)O 269956a_100000749485_100000748600 [0,1,0,0,0,0|0,0,2]=3 1120 B10R0.75 CC#CCNCC(F)C(=O)O 269956a_100000084737_100000748600 [0,1,0,0,0,0|1,0,2]=4 1121 B10R0.75 CC#CCOCC(C)C(=O)C 34a_100000032740_100000748600 [0,1,0,0,0,0|1,0,2]=4 1122 B10R0.75 CC#CCOCC(C)C(=O)C 7a_100000032740_100000748600 [0,1,0,0,0,0|1,0,2]=4 1123 B10R0.75 CC(=O)C(C)COCCC#N 7a_100000032740_100000184422 [0,1,0,0,0,0|2,0,1]=4 1124 B10R0.75 CC(=O)C(C)COCCCF 34a_100000032740_100011934791 [0,1,0,0,0,0|2,0,0]=3 1125 B10R0.75 CC(=O)C(C)COCCCF 7a_100000032740_100011934791 [0,1,0,0,0,0|2,0,0]=3 1126 B10R0.75 CC(=O)C(C)COCCCO 34a_100000032740_100000230001 [0,1,0,0,0,0|2,0,0]=3 1127 B10R0.75 CC(=O)C(C)COCCCO 7a_100000032740_100011215043 [0,1,0,0,0,0|2,0,0]=3 1128 B10R0.75 CC(=O)C(C)NCCCCO 2230a_100000750430_100009814033 [0,1,0,0,0,0|2,0,0]=3 1129 B10R0.75 CC(=O)C(C)OCCCCCl 7a_100000210776_100000179758 [0,1,0,0,0,0|2,0,0]=3 1130 B10R0.75 CC(=O)C(C)OCCCCF 34a_100000212229_100000729493 [0,1,0,0,0,0|2,0,0]=3 1131 B10R0.75 CC(=O)C(C)OCCCCF 7a_100011995726_100000179758 [0,1,0,0,0,0|2,0,0]=3 1132 B10R0.75 CC(=O)C(C)OCCCCO 34a_100000212229_100011216708 [0,1,0,0,0,0|2,0,0]=3 1133 B10R0.75 CC(=O)C(C)SCCCC#N 62a_100000687738_100009814033 [0,1,0,0,0,0|2,0,1]=4 1134 B10R0.75 CC(=O)C(C)SCCCC#N 62a_100009814033_100000687738 [0,1,0,0,0,0|2,0,1]=4 1135 B10R0.75 CC(=O)C(C)SCCCC=O 62a_100009814033_200011292268 [0,1,0,0,0,0|2,0,1]=4 1136 B10R0.75 CC(=O)C(C)SCCCC=O 62a_200011292268_100009814033 [0,1,0,0,0,0|2,0,1]=4 1137 B10R0.75 CC(=O)C(C)SCCCCF 62a_100000729493_100009814033 [0,1,0,0,0,0|2,0,0]=3 1138 B10R0.75 CC(=O)C(C)SCCCCF 62a_100009814033_100000729493 [0,1,0,0,0,0|2,0,0]=3 1139 B10R0.75 CC(=O)C(C)SCCCCO 62a_100000210776_100009814033 [0,1,0,0,0,0|2,0,0]=3 1140 B10R0.75 CC(=O)C(C)SCCCCO 62a_100009814033_100000210776 [0,1,0,0,0,0|2,0,0]=3 1141 B10R0.75 CC(=O)N(C)CCCCCO 240690a_100000722520_100015343762 [0,1,0,0,0,0|2,0,0]=3 1142 B10R0.75 CC(=O)N(C)CCOCCO 240690a_100000228057_100015343762 [0,1,0,0,0,0|3,0,0]=4 1143 B10R0.75 CC(CNCCC#N)C(=O)O 269956a_100000749485_100011215226 [0,1,0,0,0,0|1,0,1]=3 1144 B10R0.75 CC(CNCCCF)C(=O)O 269956a_100000749485_100011934791 [0,1,0,0,0,0|1,0,0]=2 1145 B10R0.75 CC(CNCCCO)C(=O)O 269956a_100000749485_100011215043 [0,1,0,0,0,0|1,0,0]=2 1146 B10R0.75 CC(CNCSC#N)C(=O)O 269956a_100000749485_100000211825 [0,1,0,0,0,0|2,0,1]=4 1147 B10R0.75 CC(COCCCF)[N+](=O)[O-] 34a_100000039676_100011934791 [0,1,0,0,0,0|2,0,1]=4 1148 B10R0.75 CC(COCCCF)[N+](=O)[O-] 7a_100000039676_100011934791 [0,1,0,0,0,0|2,0,1]=4 1149 B10R0.75 CC(COCCCO)[N+](=O)[O-] 34a_100000039676_100000230001 [0,1,0,0,0,0|2,0,1]=4 1150 B10R0.75 CC(COCCCO)[N+](=O)[O-] 7a_100000039676_100011215043 [0,1,0,0,0,0|2,0,1]=4 1151 B10R0.75 CC(NCCCCO)C(=O)N 2230a_100000750430_100000702099 [0,1,0,0,0,0|2,0,0]=3 1152 B10R0.75 CC(NCCCCO)C(=O)N 34a_100000750430_100000702099 [0,1,0,0,0,0|2,0,0]=3 1153 B10R0.75 CC(OCCCCBr)C(=O)N 34a_100011216708_100000702099 [0,1,0,0,0,0|2,0,0]=3 1154 B10R0.75 CC(OCCCCCl)C(=O)N 34a_100000210776_100000702099 [0,1,0,0,0,0|2,0,0]=3 1155 B10R0.75 CC(OCCCCCl)C(=O)N 7a_100000210776_100000702099 [0,1,0,0,0,0|2,0,0]=3 1156 B10R0.75 CC(OCCCCF)C(=O)N 34a_100011995726_100000702099 [0,1,0,0,0,0|2,0,0]=3 1157 B10R0.75 CC(OCCCCF)C(=O)N 7a_100011995726_100000702099 [0,1,0,0,0,0|2,0,0]=3 1158 B10R0.75 CC(OCCCCI)C(=O)N 34a_200012148704_100000702099 [0,1,0,0,0,0|2,0,0]=3 1159 B10R0.75 CC(OCCCCN)C(=O)N 34a_100000750430_100000702099 [0,1,0,0,0,0|2,0,0]=3 1160 B10R0.75 CC(SCCCC#N)C(=O)N 62a_100000687738_100000702099 [0,1,0,0,0,0|2,0,1]=4 1161 B10R0.75 CC(SCCCC#N)C(=O)N 62a_100000702099_100000687738 [0,1,0,0,0,0|2,0,1]=4 1162 B10R0.75 CC(SCCCC=O)C(=O)N 62a_100000702099_200011292268 [0,1,0,0,0,0|2,0,1]=4 1163 B10R0.75 CC(SCCCC=O)C(=O)N 62a_200011292268_100000702099 [0,1,0,0,0,0|2,0,1]=4 1164 B10R0.75 CC(SCCCCF)C(=O)N 62a_100000702099_100000729493 [0,1,0,0,0,0|2,0,0]=3 1165 B10R0.75 CC(SCCCCF)C(=O)N 62a_100000729493_100000702099 [0,1,0,0,0,0|2,0,0]=3 1166 B10R0.75 CC(SCCCCO)C(=O)N 62a_100000210776_100000702099 [0,1,0,0,0,0|2,0,0]=3 1167 B10R0.75 CC(SCCCCO)C(=O)N 62a_100000702099_100000210776 [0,1,0,0,0,0|2,0,0]=3 1168 B10R0.75 CC/C=C\CN[C@@H](C)C(=O)O 269956a_100000743915_100103147603 [0,1,0,0,0,0|0,0,2]=3 1169 B10R0.75 CC/C=C\CN[C@H](C)C(=O)N 2230a_100000119354_100103147603 [0,1,0,0,0,0|1,0,2]=4 1170 B10R0.75 CC/C=C\CN[C@H](C)C(=O)N 34a_100000119354_100103147603 [0,1,0,0,0,0|1,0,2]=4 1171 B10R0.75 CC/C=C\COC(C)C(=O)C 34a_100000212229_100103147603 [0,1,0,0,0,0|1,0,2]=4 1172 B10R0.75 CC/C=C\COC(C)C(=O)N 34a_100016268518_100000702099 [0,1,0,0,0,0|1,0,2]=4 1173 B10R0.75 CC/C=C\CO[C@@H](C)C(=O)[O-] 7a_217856618621_100103147603 [0,1,0,0,0,0|0,0,3]=4 1174 B10R0.75 CC/C=C\CO[C@H](C)C(=O)N 34a_100000731257_100103147603 [0,1,0,0,0,0|1,0,2]=4 1175 B10R0.75 CC/C=C\CO[C@H](C)C(=O)N 7a_100000731257_100103147603 [0,1,0,0,0,0|1,0,2]=4 1176 B10R0.75 CC/C=C\CSC(C)C(=O)C 62a_100009814033_100103147603 [0,1,0,0,0,0|1,0,2]=4 1177 B10R0.75 CC/C=C\CSC(C)C(=O)C 62a_100103147603_100009814033 [0,1,0,0,0,0|1,0,2]=4 1178 B10R0.75 CC/C=C\CSC(C)C(=O)N 62a_100000702099_100103147603 [0,1,0,0,0,0|1,0,2]=4 1179 B10R0.75 CC/C=C\CSC(C)C(=O)N 62a_100103147603_100000702099 [0,1,0,0,0,0|1,0,2]=4 1180 B10R0.75 CC=CCOCC(C)C(=O)C 34a_100000032740_100000070051 [0,1,0,0,0,0|1,0,2]=4 1181 B10R0.75 CC=CCOCC(C)C(=O)C 7a_100000032740_100000070051 [0,1,0,0,0,0|1,0,2]=4 1182 B10R0.75 CCC#CCN[C@@H](C)C(=O)O 269956a_100000743915_100009813939 [0,1,0,0,0,0|0,0,2]=3 1183 B10R0.75 CCC#CCN[C@H](C)C(=O)N 2230a_100000119354_100009813939 [0,1,0,0,0,0|1,0,2]=4 1184 B10R0.75 CCC#CCN[C@H](C)C(=O)N 34a_100000119354_100009813939 [0,1,0,0,0,0|1,0,2]=4 1185 B10R0.75 CCC#CCOC(C)C(=O)C 34a_100000212229_100009813939 [0,1,0,0,0,0|1,0,2]=4 1186 B10R0.75 CCC#CCOC(C)C(=O)N 34a_100000032950_100000702099 [0,1,0,0,0,0|1,0,2]=4 1187 B10R0.75 CCC#CCO[C@@H](C)C(=O)[O-] 7a_217856618621_100009813939 [0,1,0,0,0,0|0,0,3]=4 1188 B10R0.75 CCC#CCO[C@H](C)C(=O)N 34a_100000731257_100009813939 [0,1,0,0,0,0|1,0,2]=4 1189 B10R0.75 CCC#CCO[C@H](C)C(=O)N 7a_100000731257_100009813939 [0,1,0,0,0,0|1,0,2]=4 1190 B10R0.75 CCC#CCSC(C)C(=O)C 62a_100009813939_100009814033 [0,1,0,0,0,0|1,0,2]=4 1191 B10R0.75 CCC#CCSC(C)C(=O)C 62a_100009814033_100009813939 [0,1,0,0,0,0|1,0,2]=4 1192 B10R0.75 CCC#CCSC(C)C(=O)N 62a_100000702099_100009813939 [0,1,0,0,0,0|1,0,2]=4 1193 B10R0.75 CCC#CCSC(C)C(=O)N 62a_100009813939_100000702099 [0,1,0,0,0,0|1,0,2]=4 1194 B10R0.75 CCCCCCC(C)C(=O)C 1458a_100000070787_100011215978 [0,1,0,0,0,0|1,0,0]=2 1195 B10R0.75 CCCCCCC(C)N(C)C 2230a_100102631434_100011215978 [0,1,0,0,0,0|3,0,0]=4 1196 B10R0.75 CCCCCCC(C)N(C)C 269982a_100102631434_100011215978 [0,1,0,0,0,0|3,0,0]=4 1197 B10R0.75 CCCCCCC(C)N(C)C 270004a_100102631434_100000210826 [0,1,0,0,0,0|3,0,0]=4 1198 B10R0.75 CCCCCCC(O)C(=O)C 1458a_100011215828_200000210301 [0,1,0,0,0,0|2,0,0]=3 1199 B10R0.75 CCCCCCC(O)C(=O)[13CH3] 1458a_100011215828_200025704644 [0,1,0,0,0,0|2,0,0]=3 1200 B10R0.75 CCCCCCN(C)C(=O)C 11a_106256046315_100015343762 [0,1,0,0,0,0|2,0,0]=3 1201 B10R0.75 CCCCCCN(C)C(=O)C 1626a_106256046315_100015343762 [0,1,0,0,0,0|2,0,0]=3 1202 B10R0.75 CCCCCCN(C)C(=O)C 240690a_106256046315_100015343762 [0,1,0,0,0,0|2,0,0]=3 1203 B10R0.75 CCCCCCN(C)C(=O)C 527a_106256046315_100103153847 [0,1,0,0,0,0|2,0,0]=3 1204 B10R0.75 CCCCCNC(=O)C(=O)N 240690a_100000209983_100011215815 [0,1,0,0,0,0|2,0,1]=4 1205 B10R0.75 CCCCCNC(C)C(=O)C 2230a_100000209983_100009814033 [0,1,0,0,0,0|1,0,0]=2 1206 B10R0.75 CCCCCNC(C)C(=O)N 2230a_100000209983_100000702099 [0,1,0,0,0,0|1,0,0]=2 1207 B10R0.75 CCCCCNC(C)C(C)C 2230a_100000211541_100000210326 [0,1,0,0,0,0|2,0,1]=4 1208 B10R0.75 CCCCCNC(F)C(=O)N 2230a_100000209983_100009813875 [0,1,0,0,0,0|2,0,0]=3 1209 B10R0.75 CCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210326 [0,1,0,0,0,0|0,0,0]=1 1210 B10R0.75 CCCCCN[C@H](C)C(=O)N 2230a_100000119354_100000210326 [0,1,0,0,0,0|1,0,0]=2 1211 B10R0.75 CCCCCN[C@H](C)C(=O)N 34a_100000119354_100000718602 [0,1,0,0,0,0|1,0,0]=2 1212 B10R0.75 CCCCCOC(C)C(=O)C 34a_100000212229_100000718602 [0,1,0,0,0,0|1,0,0]=2 1213 B10R0.75 CCCCCOC(C)C(=O)C 7a_100000210253_100000179758 [0,1,0,0,0,0|1,0,0]=2 1214 B10R0.75 CCCCCOC(C)C(=O)N 34a_100000210253_100000702099 [0,1,0,0,0,0|1,0,0]=2 1215 B10R0.75 CCCCCOC(C)C(=O)N 7a_100000210253_100000702099 [0,1,0,0,0,0|1,0,0]=2 1216 B10R0.75 CCCCCOC(C)C(C)C 7a_100000748068_100000210326 [0,1,0,0,0,0|2,0,1]=4 1217 B10R0.75 CCCCCOC(F)C(=O)N 34a_100000210253_100009813875 [0,1,0,0,0,0|2,0,0]=3 1218 B10R0.75 CCCCCOC(F)C(=O)N 7a_100000210253_100009813875 [0,1,0,0,0,0|2,0,0]=3 1219 B10R0.75 CCCCCOC(F)C(=O)[O-] 34a_100000210253_100020610796 [0,1,0,0,0,0|1,0,1]=3 1220 B10R0.75 CCCCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210326 [0,1,0,0,0,0|0,0,1]=2 1221 B10R0.75 CCCCCO[C@H](C)C(=O)N 34a_100000731257_100000718602 [0,1,0,0,0,0|1,0,0]=2 1222 B10R0.75 CCCCCO[C@H](C)C(=O)N 7a_100000731257_100000210326 [0,1,0,0,0,0|1,0,0]=2 1223 B10R0.75 CCCCCSC(C)C(=O)C 62a_100000210326_100009814033 [0,1,0,0,0,0|1,0,0]=2 1224 B10R0.75 CCCCCSC(C)C(=O)C 62a_100009814033_100000210326 [0,1,0,0,0,0|1,0,0]=2 1225 B10R0.75 CCCCCSC(C)C(=O)N 62a_100000210326_100000702099 [0,1,0,0,0,0|1,0,0]=2 1226 B10R0.75 CCCCCSC(C)C(=O)N 62a_100000702099_100000210326 [0,1,0,0,0,0|1,0,0]=2 1227 B10R0.75 CCCCCSC(F)C(=O)N 62a_100000210326_100009813875 [0,1,0,0,0,0|2,0,0]=3 1228 B10R0.75 CCCCCSC(F)C(=O)N 62a_100009813875_100000210326 [0,1,0,0,0,0|2,0,0]=3 1229 B10R0.75 CCCCCSC(F)C(=O)[O-] 62a_100000210326_100020610796 [0,1,0,0,0,0|1,0,1]=3 1230 B10R0.75 CCCCCSC(F)C(=O)[O-] 62a_100020610796_100000210326 [0,1,0,0,0,0|1,0,1]=3 1231 B10R0.75 CCCCNCC(C)C(=O)O 269956a_100000749485_100000210211 [0,1,0,0,0,0|0,0,0]=1 1232 B10R0.75 CCCCNCC(F)C(=O)O 269956a_100000084737_100000210211 [0,1,0,0,0,0|1,0,0]=2 1233 B10R0.75 CCCCOCC(=O)C(=O)C 34a_100000210227_100011261029 [0,1,0,0,0,0|2,0,1]=4 1234 B10R0.75 CCCCOCC(C)C(=O)C 34a_100000032740_100000210210 [0,1,0,0,0,0|1,0,0]=2 1235 B10R0.75 CCCCOCC(C)C(=O)C 7a_100000032740_100000210211 [0,1,0,0,0,0|1,0,0]=2 1236 B10R0.75 CCCCOCC(C)[N+](=O)[O-] 34a_100000039676_100000210210 [0,1,0,0,0,0|1,0,1]=3 1237 B10R0.75 CCCCOCC(C)[N+](=O)[O-] 7a_100000039676_100000210211 [0,1,0,0,0,0|1,0,1]=3 1238 B10R0.75 CCCCOC[C@H](N)C(=O)N 34a_100000729942_100000210210 [0,1,0,0,0,0|2,0,0]=3 1239 B10R0.75 CCCCSCC(=O)C(=O)C 62a_100000210211_100011261029 [0,1,0,0,0,0|2,0,1]=4 1240 B10R0.75 CCCCSCC(=O)C(=O)C 62a_100011261029_100000210210 [0,1,0,0,0,0|2,0,1]=4 1241 B10R0.75 CCOCCNC(C)C(=O)C 2230a_102516460346_100009814033 [0,1,0,0,0,0|2,0,0]=3 1242 B10R0.75 CCOCCNC(C)C(=O)N 2230a_102516460346_100000702099 [0,1,0,0,0,0|2,0,0]=3 1243 B10R0.75 CCOCCNC(C)C(=O)N 34a_102516460346_100000702099 [0,1,0,0,0,0|2,0,0]=3 1244 B10R0.75 CCOCCNC(F)C(=O)N 2230a_102516460346_100009813875 [0,1,0,0,0,0|3,0,0]=4 1245 B10R0.75 CCOCCNC(F)C(=O)N 34a_102516460346_100009813875 [0,1,0,0,0,0|3,0,0]=4 1246 B10R0.75 CCOCCNC(F)C(=O)[O-] 34a_102516460346_100020610796 [0,1,0,0,0,0|2,0,1]=4 1247 B10R0.75 CCOCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210147 [0,1,0,0,0,0|1,0,0]=2 1248 B10R0.75 CCOCCN[C@H](C)C(=O)N 2230a_100000119354_100011215890 [0,1,0,0,0,0|2,0,0]=3 1249 B10R0.75 CCOCCN[C@H](C)C(=O)N 34a_100000119354_100000210147 [0,1,0,0,0,0|2,0,0]=3 1250 B10R0.75 CCOCCOC(C)C(=O)C 1458a_100000743585_200000210301 [0,1,0,0,0,0|2,0,0]=3 1251 B10R0.75 CCOCCOC(C)C(=O)C 34a_100000212229_100000210147 [0,1,0,0,0,0|2,0,0]=3 1252 B10R0.75 CCOCCOC(C)C(=O)C 7a_100000210136_100000179758 [0,1,0,0,0,0|2,0,0]=3 1253 B10R0.75 CCOCCOC(C)C(=O)N 34a_100000210136_100000702099 [0,1,0,0,0,0|2,0,0]=3 1254 B10R0.75 CCOCCOC(C)C(=O)N 7a_100000210136_100000702099 [0,1,0,0,0,0|2,0,0]=3 1255 B10R0.75 CCOCCOC(C)C(=O)[13CH3] 1458a_100000743585_200025704644 [0,1,0,0,0,0|2,0,0]=3 1256 B10R0.75 CCOCCOC(F)C(=O)N 34a_100000210136_100009813875 [0,1,0,0,0,0|3,0,0]=4 1257 B10R0.75 CCOCCOC(F)C(=O)N 7a_100000210136_100009813875 [0,1,0,0,0,0|3,0,0]=4 1258 B10R0.75 CCOCCOC(F)C(=O)[O-] 34a_100000210136_100020610796 [0,1,0,0,0,0|2,0,1]=4 1259 B10R0.75 CCOCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100011215890 [0,1,0,0,0,0|1,0,1]=3 1260 B10R0.75 CCOCCO[C@H](C)C(=O)N 34a_100000731257_100000210147 [0,1,0,0,0,0|2,0,0]=3 1261 B10R0.75 CCOCCO[C@H](C)C(=O)N 7a_100000731257_100011215890 [0,1,0,0,0,0|2,0,0]=3 1262 B10R0.75 CCOCCSC(C)C(=O)C 62a_100000210147_100009814033 [0,1,0,0,0,0|2,0,0]=3 1263 B10R0.75 CCOCCSC(C)C(=O)C 62a_100009814033_100011215890 [0,1,0,0,0,0|2,0,0]=3 1264 B10R0.75 CCOCCSC(C)C(=O)N 62a_100000210147_100000702099 [0,1,0,0,0,0|2,0,0]=3 1265 B10R0.75 CCOCCSC(C)C(=O)N 62a_100000702099_100011215890 [0,1,0,0,0,0|2,0,0]=3 1266 B10R0.75 CCOCCSC(F)C(=O)N 62a_100000210147_100009813875 [0,1,0,0,0,0|3,0,0]=4 1267 B10R0.75 CCOCCSC(F)C(=O)N 62a_100009813875_100011215890 [0,1,0,0,0,0|3,0,0]=4 1268 B10R0.75 CCOCCSC(F)C(=O)[O-] 62a_100000210147_100020610796 [0,1,0,0,0,0|2,0,1]=4 1269 B10R0.75 CCOCCSC(F)C(=O)[O-] 62a_100020610796_100011215890 [0,1,0,0,0,0|2,0,1]=4 1270 B10R0.75 CCOCNCC(C)C(=O)O 269956a_100000749485_100000739092 [0,1,0,0,0,0|1,0,0]=2 1271 B10R0.75 CCOCNCC(F)C(=O)O 269956a_100000084737_100000739092 [0,1,0,0,0,0|2,0,0]=3 1272 B10R0.75 CCSCCNC(C)C(=O)C 2230a_100000106463_100009814033 [0,1,0,0,0,0|2,0,0]=3 1273 B10R0.75 CCSCCNC(C)C(=O)N 2230a_100000106463_100000702099 [0,1,0,0,0,0|2,0,0]=3 1274 B10R0.75 CCSCCNC(F)C(=O)N 2230a_100000106463_100009813875 [0,1,0,0,0,0|3,0,0]=4 1275 B10R0.75 CCSCCN[C@@H](C)C(=O)O 269956a_100000743915_100000757381 [0,1,0,0,0,0|1,0,0]=2 1276 B10R0.75 CCSCCN[C@H](C)C(=O)N 2230a_100000119354_100000757381 [0,1,0,0,0,0|2,0,0]=3 1277 B10R0.75 CCSCCN[C@H](C)C(=O)N 34a_100000119354_100000757381 [0,1,0,0,0,0|2,0,0]=3 1278 B10R0.75 CCSCCOC(C)C(=O)C 34a_100000212229_100000757381 [0,1,0,0,0,0|2,0,0]=3 1279 B10R0.75 CCSCCOC(C)C(=O)C 7a_100000212035_100000179758 [0,1,0,0,0,0|2,0,0]=3 1280 B10R0.75 CCSCCOC(C)C(=O)N 34a_100000212035_100000702099 [0,1,0,0,0,0|2,0,0]=3 1281 B10R0.75 CCSCCOC(C)C(=O)N 7a_100000212035_100000702099 [0,1,0,0,0,0|2,0,0]=3 1282 B10R0.75 CCSCCOC(F)C(=O)N 34a_100000212035_100009813875 [0,1,0,0,0,0|3,0,0]=4 1283 B10R0.75 CCSCCOC(F)C(=O)N 7a_100000212035_100009813875 [0,1,0,0,0,0|3,0,0]=4 1284 B10R0.75 CCSCCOC(F)C(=O)[O-] 34a_100000212035_100020610796 [0,1,0,0,0,0|2,0,1]=4 1285 B10R0.75 CCSCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000757381 [0,1,0,0,0,0|1,0,1]=3 1286 B10R0.75 CCSCCO[C@H](C)C(=O)N 34a_100000731257_100000757381 [0,1,0,0,0,0|2,0,0]=3 1287 B10R0.75 CCSCCO[C@H](C)C(=O)N 7a_100000731257_100000757381 [0,1,0,0,0,0|2,0,0]=3 1288 B10R0.75 CCSCCSC(C)C(=O)C 62a_100000757381_100009814033 [0,1,0,0,0,0|2,0,0]=3 1289 B10R0.75 CCSCCSC(C)C(=O)C 62a_100009814033_100000757381 [0,1,0,0,0,0|2,0,0]=3 1290 B10R0.75 CCSCCSC(C)C(=O)N 62a_100000702099_100000757381 [0,1,0,0,0,0|2,0,0]=3 1291 B10R0.75 CCSCCSC(C)C(=O)N 62a_100000757381_100000702099 [0,1,0,0,0,0|2,0,0]=3 1292 B10R0.75 CCSCCSC(F)C(=O)N 62a_100000757381_100009813875 [0,1,0,0,0,0|3,0,0]=4 1293 B10R0.75 CCSCCSC(F)C(=O)N 62a_100009813875_100000757381 [0,1,0,0,0,0|3,0,0]=4 1294 B10R0.75 CCSCCSC(F)C(=O)[O-] 62a_100000757381_100020610796 [0,1,0,0,0,0|2,0,1]=4 1295 B10R0.75 CCSCCSC(F)C(=O)[O-] 62a_100020610796_100000757381 [0,1,0,0,0,0|2,0,1]=4 1296 B10R0.75 CNCCCOC(C)C(=O)N 34a_100000213112_100000702099 [0,1,0,0,0,0|2,0,0]=3 1297 B10R0.75 CNCCCOC(F)C(=O)N 34a_100000213112_100009813875 [0,1,0,0,0,0|3,0,0]=4 1298 B10R0.75 CNCCCOC(F)C(=O)[O-] 34a_100000213112_100020610796 [0,1,0,0,0,0|2,0,1]=4 1299 B10R0.75 COCCCNC(C)C(=O)N 34a_100150723488_100000702099 [0,1,0,0,0,0|2,0,0]=3 1300 B10R0.75 COCCCNC(F)C(=O)N 34a_100150723488_100009813875 [0,1,0,0,0,0|3,0,0]=4 1301 B10R0.75 COCCCNC(F)C(=O)[O-] 34a_100150723488_100020610796 [0,1,0,0,0,0|2,0,1]=4 1302 B10R0.75 COCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000740836 [0,1,0,0,0,0|1,0,0]=2 1303 B10R0.75 COCCCN[C@H](C)C(=O)N 2230a_100000119354_100000740836 [0,1,0,0,0,0|2,0,0]=3 1304 B10R0.75 COCCCN[C@H](C)C(=O)N 34a_100000119354_100000740836 [0,1,0,0,0,0|2,0,0]=3 1305 B10R0.75 COCCCOC(C)C(=O)C 34a_100000212229_100000740836 [0,1,0,0,0,0|2,0,0]=3 1306 B10R0.75 COCCCOC(C)C(=O)N 34a_100000740835_100000702099 [0,1,0,0,0,0|2,0,0]=3 1307 B10R0.75 COCCCOC(F)C(=O)N 34a_100000740835_100009813875 [0,1,0,0,0,0|3,0,0]=4 1308 B10R0.75 COCCCOC(F)C(=O)[O-] 34a_100000740835_100020610796 [0,1,0,0,0,0|2,0,1]=4 1309 B10R0.75 COCCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000740836 [0,1,0,0,0,0|1,0,1]=3 1310 B10R0.75 COCCCO[C@H](C)C(=O)N 34a_100000731257_100000740836 [0,1,0,0,0,0|2,0,0]=3 1311 B10R0.75 COCCCO[C@H](C)C(=O)N 7a_100000731257_100000740836 [0,1,0,0,0,0|2,0,0]=3 1312 B10R0.75 COCCCSC(C)C(=O)C 62a_100000709357_100009814033 [0,1,0,0,0,0|2,0,0]=3 1313 B10R0.75 COCCCSC(C)C(=O)C 62a_100009814033_100000709357 [0,1,0,0,0,0|2,0,0]=3 1314 B10R0.75 COCCCSC(C)C(=O)N 62a_100000702099_100000709357 [0,1,0,0,0,0|2,0,0]=3 1315 B10R0.75 COCCCSC(C)C(=O)N 62a_100000709357_100000702099 [0,1,0,0,0,0|2,0,0]=3 1316 B10R0.75 COCCCSC(F)C(=O)N 62a_100000709357_100009813875 [0,1,0,0,0,0|3,0,0]=4 1317 B10R0.75 COCCCSC(F)C(=O)N 62a_100009813875_100000709357 [0,1,0,0,0,0|3,0,0]=4 1318 B10R0.75 COCCCSC(F)C(=O)[O-] 62a_100000709357_100020610796 [0,1,0,0,0,0|2,0,1]=4 1319 B10R0.75 COCCCSC(F)C(=O)[O-] 62a_100020610796_100000709357 [0,1,0,0,0,0|2,0,1]=4 1320 B10R0.75 COCCNCC(C)C(=O)O 269956a_100000749485_100000233755 [0,1,0,0,0,0|1,0,0]=2 1321 B10R0.75 COCCNCC(F)C(=O)O 269956a_100000084737_100000233755 [0,1,0,0,0,0|2,0,0]=3 1322 B10R0.75 COCCOCC(C)C(=O)C 34a_100000032740_100011201679 [0,1,0,0,0,0|2,0,0]=3 1323 B10R0.75 COCCOCC(C)C(=O)C 7a_100000032740_100000233755 [0,1,0,0,0,0|2,0,0]=3 1324 B10R0.75 COCCOCC(C)[N+](=O)[O-] 34a_100000039676_100011201679 [0,1,0,0,0,0|2,0,1]=4 1325 B10R0.75 COCCOCC(C)[N+](=O)[O-] 7a_100000039676_100000233755 [0,1,0,0,0,0|2,0,1]=4 1326 B10R0.75 COCCOC[C@H](N)C(=O)N 34a_100000729942_100011201679 [0,1,0,0,0,0|3,0,0]=4 1327 B10R0.75 CSCCCNC(C)C(=O)C 2230a_100000749238_100009814033 [0,1,0,0,0,0|2,0,0]=3 1328 B10R0.75 CSCCCNC(C)C(=O)N 2230a_100000749238_100000702099 [0,1,0,0,0,0|2,0,0]=3 1329 B10R0.75 CSCCCNC(F)C(=O)N 2230a_100000749238_100009813875 [0,1,0,0,0,0|3,0,0]=4 1330 B10R0.75 CSCCCOC(C)C(=O)C 7a_100000690336_100000179758 [0,1,0,0,0,0|2,0,0]=3 1331 B10R0.75 CSCCCOC(C)C(=O)N 34a_100000690336_100000702099 [0,1,0,0,0,0|2,0,0]=3 1332 B10R0.75 CSCCCOC(C)C(=O)N 7a_100000690336_100000702099 [0,1,0,0,0,0|2,0,0]=3 1333 B10R0.75 CSCCCOC(F)C(=O)N 34a_100000690336_100009813875 [0,1,0,0,0,0|3,0,0]=4 1334 B10R0.75 CSCCCOC(F)C(=O)N 7a_100000690336_100009813875 [0,1,0,0,0,0|3,0,0]=4 1335 B10R0.75 CSCCCOC(F)C(=O)[O-] 34a_100000690336_100020610796 [0,1,0,0,0,0|2,0,1]=4 1336 B10R0.75 CSCCNCC(C)C(=O)O 269956a_100000749485_100000212216 [0,1,0,0,0,0|1,0,0]=2 1337 B10R0.75 CSCCNCC(F)C(=O)O 269956a_100000084737_100000212216 [0,1,0,0,0,0|2,0,0]=3 1338 B10R0.75 CSCCOCC(C)C(=O)C 34a_100000032740_100000212216 [0,1,0,0,0,0|2,0,0]=3 1339 B10R0.75 CSCCOCC(C)C(=O)C 7a_100000032740_100000212216 [0,1,0,0,0,0|2,0,0]=3 1340 B10R0.75 CSCCOCC(C)[N+](=O)[O-] 34a_100000039676_100000212216 [0,1,0,0,0,0|2,0,1]=4 1341 B10R0.75 CSCCOCC(C)[N+](=O)[O-] 7a_100000039676_100000212216 [0,1,0,0,0,0|2,0,1]=4 1342 B10R0.75 CSCCOC[C@H](N)C(=O)N 34a_100000729942_100000212216 [0,1,0,0,0,0|3,0,0]=4 1343 B10R0.75 C[C@@H](NCCCC#N)C(=O)N 2230a_100000119354_100000687738 [0,1,0,0,0,0|2,0,1]=4 1344 B10R0.75 C[C@@H](NCCCC=O)C(=O)N 2230a_100000119354_200011292268 [0,1,0,0,0,0|2,0,1]=4 1345 B10R0.75 C[C@@H](NCCCCF)C(=O)N 2230a_100000119354_100000729493 [0,1,0,0,0,0|2,0,0]=3 1346 B10R0.75 C[C@@H](NCCCCF)C(=O)N 34a_100000119354_100000729493 [0,1,0,0,0,0|2,0,0]=3 1347 B10R0.75 C[C@@H](NCCCCO)C(=O)N 2230a_100000119354_100000210776 [0,1,0,0,0,0|2,0,0]=3 1348 B10R0.75 C[C@@H](NCCCCO)C(=O)N 34a_100000119354_100011216708 [0,1,0,0,0,0|2,0,0]=3 1349 B10R0.75 C[C@@H](OCCCC#N)C(=O)N 7a_100000731257_100000687738 [0,1,0,0,0,0|2,0,1]=4 1350 B10R0.75 C[C@@H](OCCCC=O)C(=O)N 7a_100000731257_200011292268 [0,1,0,0,0,0|2,0,1]=4 1351 B10R0.75 C[C@@H](OCCCCF)C(=O)N 34a_100000731257_100000729493 [0,1,0,0,0,0|2,0,0]=3 1352 B10R0.75 C[C@@H](OCCCCF)C(=O)N 7a_100000731257_100000729493 [0,1,0,0,0,0|2,0,0]=3 1353 B10R0.75 C[C@@H](OCCCCO)C(=O)N 34a_100000731257_100011216708 [0,1,0,0,0,0|2,0,0]=3 1354 B10R0.75 C[C@@H](OCCCCO)C(=O)N 7a_100000731257_100000210776 [0,1,0,0,0,0|2,0,0]=3 1355 B10R0.75 C[C@H](NCC#CCO)C(=O)O 269956a_100000743915_200000047223 [0,1,0,0,0,0|1,0,2]=4 1356 B10R0.75 C[C@H](NCCCC#N)C(=O)O 269956a_100000743915_100000687738 [0,1,0,0,0,0|1,0,1]=3 1357 B10R0.75 C[C@H](NCCCC=O)C(=O)O 269956a_100000743915_200011292268 [0,1,0,0,0,0|1,0,1]=3 1358 B10R0.75 C[C@H](NCCCCF)C(=O)O 269956a_100000743915_100000729493 [0,1,0,0,0,0|1,0,0]=2 1359 B10R0.75 C[C@H](NCCCCO)C(=O)O 269956a_100000743915_100000210776 [0,1,0,0,0,0|1,0,0]=2 1360 B10R0.75 C[C@H](NCCSC#N)C(=O)O 269956a_100000743915_100000034367 [0,1,0,0,0,0|2,0,1]=4 1361 B10R0.75 C[C@H](OCCCC#N)C(=O)[O-] 7a_217856618621_100000687738 [0,1,0,0,0,0|1,0,2]=4 1362 B10R0.75 C[C@H](OCCCC=O)C(=O)[O-] 7a_217856618621_200011292268 [0,1,0,0,0,0|1,0,2]=4 1363 B10R0.75 C[C@H](OCCCCF)C(=O)[O-] 7a_217856618621_100000729493 [0,1,0,0,0,0|1,0,1]=3 1364 B10R0.75 C[C@H](OCCCCO)C(=O)[O-] 7a_217856618621_100000210776 [0,1,0,0,0,0|1,0,1]=3 1365 B10R0.75 N#CCCNCC(F)C(=O)O 269956a_100000084737_100011215226 [0,1,0,0,0,0|2,0,1]=4 1366 B10R0.75 NC(=O)C(F)NCCCCO 2230a_100000750430_100009813875 [0,1,0,0,0,0|3,0,0]=4 1367 B10R0.75 NC(=O)C(F)NCCCCO 34a_100000750430_100009813875 [0,1,0,0,0,0|3,0,0]=4 1368 B10R0.75 NC(=O)C(F)OCCCCBr 34a_100011216708_100009813875 [0,1,0,0,0,0|3,0,0]=4 1369 B10R0.75 NC(=O)C(F)OCCCCCl 34a_100000210776_100009813875 [0,1,0,0,0,0|3,0,0]=4 1370 B10R0.75 NC(=O)C(F)OCCCCCl 7a_100000210776_100009813875 [0,1,0,0,0,0|3,0,0]=4 1371 B10R0.75 NC(=O)C(F)OCCCCF 34a_100011995726_100009813875 [0,1,0,0,0,0|3,0,0]=4 1372 B10R0.75 NC(=O)C(F)OCCCCF 7a_100011995726_100009813875 [0,1,0,0,0,0|3,0,0]=4 1373 B10R0.75 NC(=O)C(F)OCCCCI 34a_200012148704_100009813875 [0,1,0,0,0,0|3,0,0]=4 1374 B10R0.75 NC(=O)C(F)SCCCCF 62a_100000729493_100009813875 [0,1,0,0,0,0|3,0,0]=4 1375 B10R0.75 NC(=O)C(F)SCCCCF 62a_100009813875_100000729493 [0,1,0,0,0,0|3,0,0]=4 1376 B10R0.75 NC(=O)C(F)SCCCCO 62a_100000210776_100009813875 [0,1,0,0,0,0|3,0,0]=4 1377 B10R0.75 NC(=O)C(F)SCCCCO 62a_100009813875_100000210776 [0,1,0,0,0,0|3,0,0]=4 1378 B10R0.75 NC(=O)[C@@H](N)COCCCF 34a_100000729942_100011934791 [0,1,0,0,0,0|3,0,0]=4 1379 B10R0.75 NC(=O)[C@@H](N)COCCCO 34a_100000729942_100000230001 [0,1,0,0,0,0|3,0,0]=4 1380 B10R0.75 NCCCCOC(F)C(=O)N 34a_100000750430_100009813875 [0,1,0,0,0,0|3,0,0]=4 1381 B10R0.75 NCCCCOC(F)C(=O)[O-] 34a_100000750430_100020610796 [0,1,0,0,0,0|2,0,1]=4 1382 B10R0.75 O=C(O)C(F)CNCCCF 269956a_100000084737_100011934791 [0,1,0,0,0,0|2,0,0]=3 1383 B10R0.75 O=C(O)C(F)CNCCCO 269956a_100000084737_100011215043 [0,1,0,0,0,0|2,0,0]=3 1384 B10R0.75 O=C([O-])C(F)NCCCCO 34a_100000750430_100020610796 [0,1,0,0,0,0|2,0,1]=4 1385 B10R0.75 O=C([O-])C(F)OCCCCBr 34a_100011216708_100020610796 [0,1,0,0,0,0|2,0,1]=4 1386 B10R0.75 O=C([O-])C(F)OCCCCCl 34a_100000210776_100020610796 [0,1,0,0,0,0|2,0,1]=4 1387 B10R0.75 O=C([O-])C(F)OCCCCF 34a_100011995726_100020610796 [0,1,0,0,0,0|2,0,1]=4 1388 B10R0.75 O=C([O-])C(F)OCCCCI 34a_200012148704_100020610796 [0,1,0,0,0,0|2,0,1]=4 1389 B10R0.75 O=C([O-])C(F)SCCCCF 62a_100000729493_100020610796 [0,1,0,0,0,0|2,0,1]=4 1390 B10R0.75 O=C([O-])C(F)SCCCCF 62a_100020610796_100000729493 [0,1,0,0,0,0|2,0,1]=4 1391 B10R0.75 O=C([O-])C(F)SCCCCO 62a_100000210776_100020610796 [0,1,0,0,0,0|2,0,1]=4 1392 B10R0.75 O=C([O-])C(F)SCCCCO 62a_100020610796_100000210776 [0,1,0,0,0,0|2,0,1]=4 1393 B10R0.81 C#CCCN(C)C(C)C(=O)O 269956a_100000749554_100000688953 [0,1,0,0,0,0|1,0,2]=4 1394 B10R0.81 C/C=C/CN(C)C(C)C(=O)O 269956a_100000749554_100102629194 [0,1,0,0,0,0|1,0,2]=4 1395 B10R0.81 C=CCCN(C)C(C)C(=O)O 269956a_100000749554_100000754431 [0,1,0,0,0,0|1,0,2]=4 1396 B10R0.81 CC#CCN(C)C(C)C(=O)O 269956a_100000749554_100000748600 [0,1,0,0,0,0|1,0,2]=4 1397 B10R0.81 CC(=O)C(C)N(C)CCCO 2230a_100000213112_100009814033 [0,1,0,0,0,0|3,0,0]=4 1398 B10R0.81 CC(=O)C(C)N(C)CCCO 269982a_100000213112_100009814033 [0,1,0,0,0,0|3,0,0]=4 1399 B10R0.81 CC(C(=O)N)N(C)CCCO 2230a_100000213112_100000702099 [0,1,0,0,0,0|3,0,0]=4 1400 B10R0.81 CC(C(=O)N)N(C)CCCO 269982a_100000213112_100000184083 [0,1,0,0,0,0|3,0,0]=4 1401 B10R0.81 CC(C(=O)O)N(C)CCC#N 269956a_100000749554_100011215226 [0,1,0,0,0,0|2,0,1]=4 1402 B10R0.81 CC(C(=O)O)N(C)CCC#N 269956a_100011782742_200000210301 [0,1,0,0,0,0|2,0,1]=4 1403 B10R0.81 CC(C(=O)O)N(C)CCCF 269956a_100000749554_100011934791 [0,1,0,0,0,0|2,0,0]=3 1404 B10R0.81 CC(C(=O)O)N(C)CCCO 269956a_100000749554_100011215043 [0,1,0,0,0,0|2,0,0]=3 1405 B10R0.81 CC(C(=O)O)N([13CH3])CCC#N 269956a_100011782742_200025704644 [0,1,0,0,0,0|2,0,1]=4 1406 B10R0.81 CCCCC(=O)C(C)C(=O)C 1458a_100000210183_100000179758 [0,1,0,0,0,0|1,0,1]=3 1407 B10R0.81 CCCCC(=O)C(C)C(=O)N 1458a_100000210183_100000702099 [0,1,0,0,0,0|1,0,1]=3 1408 B10R0.81 CCCCC(=O)C(F)C(=O)N 1458a_100000210183_100009813875 [0,1,0,0,0,0|2,0,1]=4 1409 B10R0.81 CCCCC(=O)C(F)C(=O)[O-] 1458a_100000210183_100020610796 [0,1,0,0,0,0|1,0,2]=4 1410 B10R0.81 CCCCN(C)C(C)C(=O)C 2230a_100000207549_100009814033 [0,1,0,0,0,0|2,0,0]=3 1411 B10R0.81 CCCCN(C)C(C)C(=O)C 269982a_100000207549_100009814033 [0,1,0,0,0,0|2,0,0]=3 1412 B10R0.81 CCCCN(C)C(C)C(=O)N 2230a_100000207549_100000702099 [0,1,0,0,0,0|2,0,0]=3 1413 B10R0.81 CCCCN(C)C(C)C(=O)N 269982a_100000207549_100000184083 [0,1,0,0,0,0|2,0,0]=3 1414 B10R0.81 CCCCN(C)C(C)C(=O)O 269956a_100000749554_100000210211 [0,1,0,0,0,0|1,0,0]=2 1415 B10R0.81 CCCCN(C)C(F)C(=O)N 2230a_100000207549_100009813875 [0,1,0,0,0,0|3,0,0]=4 1416 B10R0.81 CCCCN(C)C(F)C(=O)N 269982a_100000207549_100009813875 [0,1,0,0,0,0|3,0,0]=4 1417 B10R0.81 CCCNC(=O)C(C)C(=O)C 1458a_100000070787_100000230305 [0,1,0,0,0,0|2,0,1]=4 1418 B10R0.81 CCCOC(=O)C(C)C(=O)C 1458a_100000070787_100000760410 [0,1,0,0,0,0|2,0,1]=4 1419 B10R0.81 CCCOC(C)C(C)[N+](=O)[O-] 34a_200000034949_100000210303 [0,1,0,0,0,0|2,0,1]=4 1420 B10R0.81 CCCOC(C)C(C)[N+](=O)[O-] 7a_200000034949_100000210303 [0,1,0,0,0,0|2,0,1]=4 1421 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 1422 B10R0.81 CCOCC(=O)C(C)C(=O)C 1458a_100000211967_100000179758 [0,1,0,0,0,0|2,0,1]=4 1423 B10R0.81 CCOCC(=O)C(C)C(=O)N 1458a_100000211967_100000702099 [0,1,0,0,0,0|2,0,1]=4 1424 B10R0.81 CCOCN(C)C(C)C(=O)O 269956a_100000749554_100000739092 [0,1,0,0,0,0|2,0,0]=3 1425 B10R0.81 CCSCC(=O)C(C)C(=O)C 1458a_100000230394_100000179758 [0,1,0,0,0,0|2,0,1]=4 1426 B10R0.81 CCSCC(=O)C(C)C(=O)N 1458a_100000230394_100000702099 [0,1,0,0,0,0|2,0,1]=4 1427 B10R0.81 COCCC(=O)C(C)C(=O)C 1458a_100000749529_100000179758 [0,1,0,0,0,0|2,0,1]=4 1428 B10R0.81 COCCC(=O)C(C)C(=O)N 1458a_100000749529_100000702099 [0,1,0,0,0,0|2,0,1]=4 1429 B10R0.81 COCCN(C)C(C)C(=O)C 2230a_100000743101_100009814033 [0,1,0,0,0,0|3,0,0]=4 1430 B10R0.81 COCCN(C)C(C)C(=O)C 269982a_100000743101_100009814033 [0,1,0,0,0,0|3,0,0]=4 1431 B10R0.81 COCCN(C)C(C)C(=O)N 2230a_100000743101_100000702099 [0,1,0,0,0,0|3,0,0]=4 1432 B10R0.81 COCCN(C)C(C)C(=O)N 269982a_100000743101_100000184083 [0,1,0,0,0,0|3,0,0]=4 1433 B10R0.81 COCCN(C)C(C)C(=O)O 269956a_100000749554_100000233755 [0,1,0,0,0,0|2,0,0]=3 1434 B10R0.81 CSCCC(=O)C(C)C(=O)C 1458a_100000174002_100000179758 [0,1,0,0,0,0|2,0,1]=4 1435 B10R0.81 CSCCC(=O)C(C)C(=O)N 1458a_100000174002_100000702099 [0,1,0,0,0,0|2,0,1]=4 1436 B10R0.81 CSCCN(C)C(C)C(=O)C 2230a_100000686725_100009814033 [0,1,0,0,0,0|3,0,0]=4 1437 B10R0.81 CSCCN(C)C(C)C(=O)C 269982a_100000686725_100009814033 [0,1,0,0,0,0|3,0,0]=4 1438 B10R0.81 CSCCN(C)C(C)C(=O)N 2230a_100000686725_100000702099 [0,1,0,0,0,0|3,0,0]=4 1439 B10R0.81 CSCCN(C)C(C)C(=O)N 269982a_100000686725_100000184083 [0,1,0,0,0,0|3,0,0]=4 1440 B10R0.81 CSCCN(C)C(C)C(=O)O 269956a_100000749554_100000212216 [0,1,0,0,0,0|2,0,0]=3 1441 B10R0.82 C#CC(C)NCC(C)C(=O)O 269956a_100000749485_200000035995 [0,1,0,0,0,0|1,0,2]=4 1442 B10R0.82 C=C(C)C(C)NCC(C)CC 269862a_100020588543_100011216138 [0,1,0,0,0,0|3,0,0]=4 1443 B10R0.82 C=C(C)C(C)NCC(O)CC 269862a_100011218483_100011216138 [0,1,0,0,0,0|3,0,0]=4 1444 B10R0.82 C=CC(C)NCC(C)C(=O)O 269956a_100000749485_100011215867 [0,1,0,0,0,0|1,0,2]=4 1445 B10R0.82 C=CC(O)CN[C@@H](C)C(=O)O 269956a_100000743915_100000730141 [0,1,0,0,0,0|1,0,2]=4 1446 B10R0.82 CC(=O)C(C)COC(C)CO 34a_100000032740_100012180447 [0,1,0,0,0,0|3,0,0]=4 1447 B10R0.82 CC(=O)C(C)COC(C)CO 7a_100000032740_100012180447 [0,1,0,0,0,0|3,0,0]=4 1448 B10R0.82 CC(=O)C(C)NC[C@H](O)CO 2230a_100020644852_100009814033 [0,1,0,0,0,0|3,0,0]=4 1449 B10R0.82 CC(=O)C(C)OCC(O)CO 34a_100000212229_100011219619 [0,1,0,0,0,0|3,0,0]=4 1450 B10R0.82 CC(=O)C(C)OC[C@@H](C)CO 34a_100000212229_100000059175 [0,1,0,0,0,0|3,0,0]=4 1451 B10R0.82 CC(=O)C(C)OC[C@@H](O)CF 34a_100000212229_100015614560 [0,1,0,0,0,0|3,0,0]=4 1452 B10R0.82 CC(=O)C(C)OC[C@@H](O)CO 34a_100000212229_100009815848 [0,1,0,0,0,0|3,0,0]=4 1453 B10R0.82 CC(=O)C(C)SCC(O)CO 62a_100009814033_100011219619 [0,1,0,0,0,0|3,0,0]=4 1454 B10R0.82 CC(=O)C(C)SCC(O)CO 62a_100011219619_100009814033 [0,1,0,0,0,0|3,0,0]=4 1455 B10R0.82 CC(=O)C(C)SC[C@@H](C)CO 62a_100000059175_100009814033 [0,1,0,0,0,0|3,0,0]=4 1456 B10R0.82 CC(=O)C(C)SC[C@@H](C)CO 62a_100009814033_100000059175 [0,1,0,0,0,0|3,0,0]=4 1457 B10R0.82 CC(=O)C(C)SC[C@@H](O)CF 62a_100009814033_100015614560 [0,1,0,0,0,0|3,0,0]=4 1458 B10R0.82 CC(=O)C(C)SC[C@@H](O)CF 62a_100015614560_100009814033 [0,1,0,0,0,0|3,0,0]=4 1459 B10R0.82 CC(=O)C(C)SC[C@@H](O)CO 62a_100009814033_100009815848 [0,1,0,0,0,0|3,0,0]=4 1460 B10R0.82 CC(=O)C(C)SC[C@@H](O)CO 62a_100009815848_100009814033 [0,1,0,0,0,0|3,0,0]=4 1461 B10R0.82 CC(C#N)NCC(C)C(=O)O 269956a_100000749485_100000184139 [0,1,0,0,0,0|2,0,1]=4 1462 B10R0.82 CC(CN)COC(C)C(=O)N 34a_100000744482_100000702099 [0,1,0,0,0,0|3,0,0]=4 1463 B10R0.82 CC(CN[C@H](C)CO)C(=O)O 269956a_100000749485_100016084084 [0,1,0,0,0,0|2,0,0]=3 1464 B10R0.82 CC(CO)CNC(C)C(=O)N 34a_100000744482_100000702099 [0,1,0,0,0,0|3,0,0]=4 1465 B10R0.82 CC(NC[C@@H](F)CO)C(=O)N 34a_100015665980_100000702099 [0,1,0,0,0,0|3,0,0]=4 1466 B10R0.82 CC(NC[C@H](O)CO)C(=O)N 2230a_100020644852_100000702099 [0,1,0,0,0,0|3,0,0]=4 1467 B10R0.82 CC(OCC(Cl)CCl)C(=O)N 34a_100000033668_100000702099 [0,1,0,0,0,0|3,0,0]=4 1468 B10R0.82 CC(OC[C@H](F)CN)C(=O)N 34a_100015665980_100000702099 [0,1,0,0,0,0|3,0,0]=4 1469 B10R0.82 CC(SCC(O)CO)C(=O)N 62a_100000702099_100011219619 [0,1,0,0,0,0|3,0,0]=4 1470 B10R0.82 CC(SCC(O)CO)C(=O)N 62a_100011219619_100000702099 [0,1,0,0,0,0|3,0,0]=4 1471 B10R0.82 CC(SC[C@@H](C)CO)C(=O)N 62a_100000059175_100000702099 [0,1,0,0,0,0|3,0,0]=4 1472 B10R0.82 CC(SC[C@@H](C)CO)C(=O)N 62a_100000702099_100000059175 [0,1,0,0,0,0|3,0,0]=4 1473 B10R0.82 CC(SC[C@@H](O)CF)C(=O)N 62a_100000702099_100015614560 [0,1,0,0,0,0|3,0,0]=4 1474 B10R0.82 CC(SC[C@@H](O)CF)C(=O)N 62a_100015614560_100000702099 [0,1,0,0,0,0|3,0,0]=4 1475 B10R0.82 CC(SC[C@@H](O)CO)C(=O)N 62a_100000702099_100009815848 [0,1,0,0,0,0|3,0,0]=4 1476 B10R0.82 CC(SC[C@@H](O)CO)C(=O)N 62a_100009815848_100000702099 [0,1,0,0,0,0|3,0,0]=4 1477 B10R0.82 CCC(=O)CCN(C)C(=O)C 1458a_100011216537_100000210202 [0,1,0,0,0,0|2,0,1]=4 1478 B10R0.82 CCC(=O)CN[C@@H](C)C(=O)O 269956a_100000743915_100000747405 [0,1,0,0,0,0|1,0,1]=3 1479 B10R0.82 CCC(=O)COC(C)C(=O)N 34a_100000725409_100000702099 [0,1,0,0,0,0|2,0,1]=4 1480 B10R0.82 CCC(=O)CO[C@@H](C)C(=O)[O-] 7a_217856618621_100000747405 [0,1,0,0,0,0|1,0,2]=4 1481 B10R0.82 CCC(=O)CO[C@H](C)C(=O)N 7a_100000731257_100000747405 [0,1,0,0,0,0|2,0,1]=4 1482 B10R0.82 CCC(=O)CSC(C)C(=O)C 62a_100000747405_100009814033 [0,1,0,0,0,0|2,0,1]=4 1483 B10R0.82 CCC(=O)CSC(C)C(=O)C 62a_100009814033_100000747405 [0,1,0,0,0,0|2,0,1]=4 1484 B10R0.82 CCC(=O)CSC(C)C(=O)N 62a_100000702099_100000747405 [0,1,0,0,0,0|2,0,1]=4 1485 B10R0.82 CCC(=O)CSC(C)C(=O)N 62a_100000747405_100000702099 [0,1,0,0,0,0|2,0,1]=4 1486 B10R0.82 CCC(C)CNC(C)C(=O)C 2230a_100020588543_100009814033 [0,1,0,0,0,0|2,0,0]=3 1487 B10R0.82 CCC(C)CNC(C)C(=O)N 2230a_100020588543_100000702099 [0,1,0,0,0,0|2,0,0]=3 1488 B10R0.82 CCC(C)CNC(F)C(=O)N 2230a_100020588543_100009813875 [0,1,0,0,0,0|3,0,0]=4 1489 B10R0.82 CCC(C)CN[C@@H](C)C(=O)O 269956a_100000743915_100000748023 [0,1,0,0,0,0|1,0,0]=2 1490 B10R0.82 CCC(C)CN[C@H](C)C(=O)N 2230a_100000119354_100000748023 [0,1,0,0,0,0|2,0,0]=3 1491 B10R0.82 CCC(C)CN[C@H](C)C(=O)N 270004a_100000119354_100000243153 [0,1,0,0,0,0|2,0,0]=3 1492 B10R0.82 CCC(C)CN[C@H](C)C(=O)N 34a_100000119354_100000748023 [0,1,0,0,0,0|2,0,0]=3 1493 B10R0.82 CCC(C)COC(C)C(=O)C 34a_100000212229_100000748023 [0,1,0,0,0,0|2,0,0]=3 1494 B10R0.82 CCC(C)CO[C@@H](C)C(=O)[O-] 7a_217856618621_100000748023 [0,1,0,0,0,0|1,0,1]=3 1495 B10R0.82 CCC(C)CO[C@H](C)C(=O)N 34a_100000731257_100000748023 [0,1,0,0,0,0|2,0,0]=3 1496 B10R0.82 CCC(C)CO[C@H](C)C(=O)N 7a_100000731257_100000748023 [0,1,0,0,0,0|2,0,0]=3 1497 B10R0.82 CCC(C)CSC(C)C(=O)C 62a_100000748023_100009814033 [0,1,0,0,0,0|2,0,0]=3 1498 B10R0.82 CCC(C)CSC(C)C(=O)C 62a_100009814033_100000748023 [0,1,0,0,0,0|2,0,0]=3 1499 B10R0.82 CCC(C)CSC(C)C(=O)N 62a_100000702099_100000748023 [0,1,0,0,0,0|2,0,0]=3 1500 B10R0.82 CCC(C)CSC(C)C(=O)N 62a_100000748023_100000702099 [0,1,0,0,0,0|2,0,0]=3 1501 B10R0.82 CCC(C)CSC(F)C(=O)N 62a_100000748023_100009813875 [0,1,0,0,0,0|3,0,0]=4 1502 B10R0.82 CCC(C)CSC(F)C(=O)N 62a_100009813875_100000748023 [0,1,0,0,0,0|3,0,0]=4 1503 B10R0.82 CCC(C)CSC(F)C(=O)[O-] 62a_100000748023_100020610796 [0,1,0,0,0,0|2,0,1]=4 1504 B10R0.82 CCC(C)CSC(F)C(=O)[O-] 62a_100020610796_100000748023 [0,1,0,0,0,0|2,0,1]=4 1505 B10R0.82 CCC(C)NCC(C)C(=O)O 269956a_100000749485_100000758301 [0,1,0,0,0,0|1,0,0]=2 1506 B10R0.82 CCC(C)NCC(F)C(=O)O 269956a_100000084737_100000758301 [0,1,0,0,0,0|2,0,0]=3 1507 B10R0.82 CCC(C)OCC(C)C(=O)C 34a_100000032740_100011215416 [0,1,0,0,0,0|2,0,0]=3 1508 B10R0.82 CCC(C)OCC(C)C(=O)C 7a_100000032740_100000758301 [0,1,0,0,0,0|2,0,0]=3 1509 B10R0.82 CCC(C)OCC(C)[N+](=O)[O-] 34a_100000039676_100011215416 [0,1,0,0,0,0|2,0,1]=4 1510 B10R0.82 CCC(C)OCC(C)[N+](=O)[O-] 7a_100000039676_100000758301 [0,1,0,0,0,0|2,0,1]=4 1511 B10R0.82 CCC(C)OC[C@H](N)C(=O)N 34a_100000729942_100011215416 [0,1,0,0,0,0|3,0,0]=4 1512 B10R0.82 CCC(O)CNC(C)C(=O)C 2230a_100011218483_100009814033 [0,1,0,0,0,0|2,0,0]=3 1513 B10R0.82 CCC(O)CNC(C)C(=O)N 2230a_100011218483_100000702099 [0,1,0,0,0,0|2,0,0]=3 1514 B10R0.82 CCC(O)CNC(F)C(=O)N 2230a_100011218483_100009813875 [0,1,0,0,0,0|3,0,0]=4 1515 B10R0.82 CCC(O)CN[C@@H](C)C(=O)O 269956a_100000743915_100011218378 [0,1,0,0,0,0|1,0,0]=2 1516 B10R0.82 CCC(O)CN[C@H](C)C(=O)N 2230a_100000119354_100011218378 [0,1,0,0,0,0|2,0,0]=3 1517 B10R0.82 CCC(O)CN[C@H](C)C(=O)N 34a_100000119354_100011218378 [0,1,0,0,0,0|2,0,0]=3 1518 B10R0.82 CCC(O)COC(C)C(=O)C 34a_100000212229_100011218378 [0,1,0,0,0,0|2,0,0]=3 1519 B10R0.82 CCC(O)CO[C@@H](C)C(=O)[O-] 7a_217856618621_100011218378 [0,1,0,0,0,0|1,0,1]=3 1520 B10R0.82 CCC(O)CO[C@H](C)C(=O)N 34a_100000731257_100011218378 [0,1,0,0,0,0|2,0,0]=3 1521 B10R0.82 CCC(O)CO[C@H](C)C(=O)N 7a_100000731257_100011218378 [0,1,0,0,0,0|2,0,0]=3 1522 B10R0.82 CCC(O)CSC(C)C(=O)C 62a_100009814033_100011218378 [0,1,0,0,0,0|2,0,0]=3 1523 B10R0.82 CCC(O)CSC(C)C(=O)C 62a_100011218378_100009814033 [0,1,0,0,0,0|2,0,0]=3 1524 B10R0.82 CCC(O)CSC(C)C(=O)N 62a_100000702099_100011218378 [0,1,0,0,0,0|2,0,0]=3 1525 B10R0.82 CCC(O)CSC(C)C(=O)N 62a_100011218378_100000702099 [0,1,0,0,0,0|2,0,0]=3 1526 B10R0.82 CCC(O)CSC(F)C(=O)N 62a_100009813875_100011218378 [0,1,0,0,0,0|3,0,0]=4 1527 B10R0.82 CCC(O)CSC(F)C(=O)N 62a_100011218378_100009813875 [0,1,0,0,0,0|3,0,0]=4 1528 B10R0.82 CCC(O)CSC(F)C(=O)[O-] 62a_100011218378_100020610796 [0,1,0,0,0,0|2,0,1]=4 1529 B10R0.82 CCC(O)CSC(F)C(=O)[O-] 62a_100020610796_100011218378 [0,1,0,0,0,0|2,0,1]=4 1530 B10R0.82 CC[C@H](C)CN[C@@H](C)C(=O)O 269956a_100000743915_100009816398 [0,1,0,0,0,0|1,0,0]=2 1531 B10R0.82 CC[C@H](C)CN[C@H](C)C(=O)N 2230a_100000119354_100009816398 [0,1,0,0,0,0|2,0,0]=3 1532 B10R0.82 CC[C@H](C)CN[C@H](C)C(=O)N 34a_100000119354_100009816398 [0,1,0,0,0,0|2,0,0]=3 1533 B10R0.82 CC[C@H](C)COC(C)C(=O)C 34a_100000212229_100009816398 [0,1,0,0,0,0|2,0,0]=3 1534 B10R0.82 CC[C@H](C)COC(C)C(=O)C 7a_100009816381_100000179758 [0,1,0,0,0,0|2,0,0]=3 1535 B10R0.82 CC[C@H](C)COC(C)C(=O)N 7a_100009816381_100000702099 [0,1,0,0,0,0|2,0,0]=3 1536 B10R0.82 CC[C@H](C)COC(F)C(=O)N 7a_100009816381_100009813875 [0,1,0,0,0,0|3,0,0]=4 1537 B10R0.82 CC[C@H](C)CO[C@@H](C)C(=O)[O-] 7a_217856618621_100009816398 [0,1,0,0,0,0|1,0,1]=3 1538 B10R0.82 CC[C@H](C)CO[C@H](C)C(=O)N 34a_100000731257_100009816398 [0,1,0,0,0,0|2,0,0]=3 1539 B10R0.82 CC[C@H](C)CO[C@H](C)C(=O)N 7a_100000731257_100009816398 [0,1,0,0,0,0|2,0,0]=3 1540 B10R0.82 CC[C@H](C)CSC(C)C(=O)C 62a_100009814033_100009816398 [0,1,0,0,0,0|2,0,0]=3 1541 B10R0.82 CC[C@H](C)CSC(C)C(=O)C 62a_100009816398_100009814033 [0,1,0,0,0,0|2,0,0]=3 1542 B10R0.82 CC[C@H](C)CSC(C)C(=O)N 62a_100000702099_100009816398 [0,1,0,0,0,0|2,0,0]=3 1543 B10R0.82 CC[C@H](C)CSC(C)C(=O)N 62a_100009816398_100000702099 [0,1,0,0,0,0|2,0,0]=3 1544 B10R0.82 CC[C@H](C)CSC(F)C(=O)N 62a_100009813875_100009816398 [0,1,0,0,0,0|3,0,0]=4 1545 B10R0.82 CC[C@H](C)CSC(F)C(=O)N 62a_100009816398_100009813875 [0,1,0,0,0,0|3,0,0]=4 1546 B10R0.82 CC[C@H](C)CSC(F)C(=O)[O-] 62a_100009816398_100020610796 [0,1,0,0,0,0|2,0,1]=4 1547 B10R0.82 CC[C@H](C)CSC(F)C(=O)[O-] 62a_100020610796_100009816398 [0,1,0,0,0,0|2,0,1]=4 1548 B10R0.82 CNC(=O)CN[C@@H](C)C(=O)O 269956a_100000743915_100000183359 [0,1,0,0,0,0|2,0,1]=4 1549 B10R0.82 COC(=O)CN[C@@H](C)C(=O)O 269956a_100000743915_100000747449 [0,1,0,0,0,0|2,0,1]=4 1550 B10R0.82 COC(C)COC(C)C(=O)N 34a_100000690652_100000702099 [0,1,0,0,0,0|3,0,0]=4 1551 B10R0.82 COC(C)NCC(C)C(=O)O 269956a_100000749485_100009879195 [0,1,0,0,0,0|2,0,0]=3 1552 B10R0.82 COC(C)NCC(F)C(=O)O 269956a_100000084737_100009879195 [0,1,0,0,0,0|3,0,0]=4 1553 B10R0.82 CO[C@H](C)CNC(C)C(=O)C 2230a_100020591295_100009814033 [0,1,0,0,0,0|3,0,0]=4 1554 B10R0.82 CO[C@H](C)CNC(C)C(=O)N 2230a_100020591295_100000702099 [0,1,0,0,0,0|3,0,0]=4 1555 B10R0.82 C[C@@H](CO)CN[C@@H](C)C(=O)O 269956a_100000743915_100000059175 [0,1,0,0,0,0|2,0,0]=3 1556 B10R0.82 C[C@@H](CO)CN[C@H](C)C(=O)N 2230a_100000119354_100000059175 [0,1,0,0,0,0|3,0,0]=4 1557 B10R0.82 C[C@@H](CO)CN[C@H](C)C(=O)N 34a_100000119354_100000059175 [0,1,0,0,0,0|3,0,0]=4 1558 B10R0.82 C[C@@H](CO)CO[C@@H](C)C(=O)[O-] 7a_217856618621_100000059175 [0,1,0,0,0,0|2,0,1]=4 1559 B10R0.82 C[C@@H](CO)CO[C@H](C)C(=O)N 34a_100000731257_100000059175 [0,1,0,0,0,0|3,0,0]=4 1560 B10R0.82 C[C@@H](CO)CO[C@H](C)C(=O)N 7a_100000731257_100000059175 [0,1,0,0,0,0|3,0,0]=4 1561 B10R0.82 C[C@@H](NCC(O)CO)C(=O)N 2230a_100000119354_100011219619 [0,1,0,0,0,0|3,0,0]=4 1562 B10R0.82 C[C@@H](NCC(O)CO)C(=O)N 34a_100000119354_100011219619 [0,1,0,0,0,0|3,0,0]=4 1563 B10R0.82 C[C@@H](NC[C@@H](O)CF)C(=O)N 2230a_100000119354_100015614560 [0,1,0,0,0,0|3,0,0]=4 1564 B10R0.82 C[C@@H](NC[C@@H](O)CF)C(=O)N 34a_100000119354_100015614560 [0,1,0,0,0,0|3,0,0]=4 1565 B10R0.82 C[C@@H](NC[C@@H](O)CO)C(=O)N 2230a_100000119354_100009815848 [0,1,0,0,0,0|3,0,0]=4 1566 B10R0.82 C[C@@H](NC[C@@H](O)CO)C(=O)N 34a_100000119354_100009815848 [0,1,0,0,0,0|3,0,0]=4 1567 B10R0.82 C[C@@H](OCC(O)CO)C(=O)N 34a_100000731257_100011219619 [0,1,0,0,0,0|3,0,0]=4 1568 B10R0.82 C[C@@H](OCC(O)CO)C(=O)N 7a_100000731257_100011219619 [0,1,0,0,0,0|3,0,0]=4 1569 B10R0.82 C[C@@H](OC[C@@H](O)CF)C(=O)N 34a_100000731257_100015614560 [0,1,0,0,0,0|3,0,0]=4 1570 B10R0.82 C[C@@H](OC[C@@H](O)CF)C(=O)N 7a_100000731257_100015614560 [0,1,0,0,0,0|3,0,0]=4 1571 B10R0.82 C[C@@H](OC[C@@H](O)CO)C(=O)N 34a_100000731257_100009815848 [0,1,0,0,0,0|3,0,0]=4 1572 B10R0.82 C[C@@H](OC[C@@H](O)CO)C(=O)N 7a_100000731257_100009815848 [0,1,0,0,0,0|3,0,0]=4 1573 B10R0.82 C[C@H](CO)NCC(F)C(=O)O 269956a_100000084737_100016084084 [0,1,0,0,0,0|3,0,0]=4 1574 B10R0.82 C[C@H](NCC(O)CO)C(=O)O 269956a_100000743915_100011219619 [0,1,0,0,0,0|2,0,0]=3 1575 B10R0.82 C[C@H](NC[C@@H](O)CF)C(=O)O 269956a_100000743915_100015614560 [0,1,0,0,0,0|2,0,0]=3 1576 B10R0.82 C[C@H](NC[C@@H](O)CO)C(=O)O 269956a_100000743915_100009815848 [0,1,0,0,0,0|2,0,0]=3 1577 B10R0.82 C[C@H](OCC(O)CO)C(=O)[O-] 7a_217856618621_100011219619 [0,1,0,0,0,0|2,0,1]=4 1578 B10R0.82 C[C@H](OC[C@@H](O)CF)C(=O)[O-] 7a_217856618621_100015614560 [0,1,0,0,0,0|2,0,1]=4 1579 B10R0.82 C[C@H](OC[C@@H](O)CO)C(=O)[O-] 7a_217856618621_100009815848 [0,1,0,0,0,0|2,0,1]=4 1580 B10R0.83 C#CC(=O)C(C)CCCCC 1458a_100000211873_200011218191 [0,1,0,0,0,0|1,0,0]=2 1581 B10R0.83 C#CCCNC(C)C(=O)OC 34a_100000755551_100000211248 [0,1,0,0,0,0|1,0,2]=4 1582 B10R0.83 C#CCCOC(C)C(=O)OC 34a_100011215400_100000688953 [0,1,0,0,0,0|1,0,2]=4 1583 B10R0.83 C#CCCOC(C)C(=O)OC 34a_100011215631_100000211248 [0,1,0,0,0,0|1,0,2]=4 1584 B10R0.83 C#CCCSC(C)C(=O)OC 62a_100000211248_100000688953 [0,1,0,0,0,0|1,0,2]=4 1585 B10R0.83 C#CCCSC(C)C(=O)OC 62a_100000688953_100000211248 [0,1,0,0,0,0|1,0,2]=4 1586 B10R0.83 C#CCNCC(C)C(=O)OC 34a_100000212058_100000698445 [0,1,0,0,0,0|1,0,2]=4 1587 B10R0.83 C#CCOCC(C)C(=O)OC 34a_100000210247_100000698445 [0,1,0,0,0,0|1,0,2]=4 1588 B10R0.83 C#CCOCC(C)C(=O)OC 34a_100000749362_100000184674 [0,1,0,0,0,0|1,0,2]=4 1589 B10R0.83 C#CCOCC(C)C(=O)OC 7a_100000749362_100000038162 [0,1,0,0,0,0|1,0,2]=4 1590 B10R0.83 C#CCSCC(C)C(=O)OC 62a_100000038162_100000698445 [0,1,0,0,0,0|1,0,2]=4 1591 B10R0.83 C/C=C(\C)/C(C)NCCCC 269862a_100000102301_100020675665 [0,1,0,0,0,0|3,0,0]=4 1592 B10R0.83 C/C=C/COC(C)C(=O)OC 34a_100011215400_100102629194 [0,1,0,0,0,0|1,0,2]=4 1593 B10R0.83 C/C=C/COC(C)C(=O)OC 34a_100016270725_100000211248 [0,1,0,0,0,0|1,0,2]=4 1594 B10R0.83 C/C=C/CSC(C)C(=O)OC 62a_100000211248_100102629194 [0,1,0,0,0,0|1,0,2]=4 1595 B10R0.83 C/C=C/CSC(C)C(=O)OC 62a_100102629194_100000211248 [0,1,0,0,0,0|1,0,2]=4 1596 B10R0.83 C=C(COCCC)C(=O)OC 34a_100000210258_100009813391 [0,1,0,0,0,0|1,0,2]=4 1597 B10R0.83 C=C(CSCCC)C(=O)OC 62a_100000210303_100009813391 [0,1,0,0,0,0|1,0,2]=4 1598 B10R0.83 C=C(CSCCC)C(=O)OC 62a_100009813391_100000210303 [0,1,0,0,0,0|1,0,2]=4 1599 B10R0.83 C=CC(=O)C(C)CCCCC 1458a_100000185746_200011218191 [0,1,0,0,0,0|1,0,0]=2 1600 B10R0.83 C=CC(=O)N(C)CCCCC 1626a_100000223495_100000185746 [0,1,0,0,0,0|2,0,0]=3 1601 B10R0.83 C=CC(=O)N(C)CCCCC 240690a_100000223495_200121576911 [0,1,0,0,0,0|2,0,0]=3 1602 B10R0.83 C=CC(=O)N(C)CCCCO 240690a_100000717598_200121576911 [0,1,0,0,0,0|3,0,0]=4 1603 B10R0.83 C=CC(=O)N(C)CCCOC 1626a_100000224831_100000185746 [0,1,0,0,0,0|3,0,0]=4 1604 B10R0.83 C=CC(=O)N(C)CCCOC 240690a_100000224831_200121576911 [0,1,0,0,0,0|3,0,0]=4 1605 B10R0.83 C=CCCNC(C)C(=O)OC 2230a_100015191253_100000211248 [0,1,0,0,0,0|1,0,2]=4 1606 B10R0.83 C=CCCOC(C)C(=O)OC 34a_100011205117_100000211248 [0,1,0,0,0,0|1,0,2]=4 1607 B10R0.83 C=CCCOC(C)C(=O)OC 34a_100011215400_100000754431 [0,1,0,0,0,0|1,0,2]=4 1608 B10R0.83 C=CCCSC(C)C(=O)OC 62a_100000211248_100000754431 [0,1,0,0,0,0|1,0,2]=4 1609 B10R0.83 C=CCCSC(C)C(=O)OC 62a_100000754431_100000211248 [0,1,0,0,0,0|1,0,2]=4 1610 B10R0.83 C=CCOCC(C)C(=O)OC 34a_100000749362_100015514636 [0,1,0,0,0,0|1,0,2]=4 1611 B10R0.83 C=CCOCC(C)C(=O)OC 34a_200000210373_100000698445 [0,1,0,0,0,0|1,0,2]=4 1612 B10R0.83 C=CCOCC(C)C(=O)OC 7a_100000749362_100015514636 [0,1,0,0,0,0|1,0,2]=4 1613 B10R0.83 C=CCSCC(C)C(=O)OC 62a_100000210623_100000698445 [0,1,0,0,0,0|1,0,2]=4 1614 B10R0.83 C=CCSCC(C)C(=O)OC 62a_100000698445_100000210623 [0,1,0,0,0,0|1,0,2]=4 1615 B10R0.83 CC#CCNC(C)C(=O)OC 2230a_100000685387_100000211248 [0,1,0,0,0,0|1,0,2]=4 1616 B10R0.83 CC#CCNC(C)C(=O)OC 34a_100000685387_100000211248 [0,1,0,0,0,0|1,0,2]=4 1617 B10R0.83 CC#CCOC(C)C(=O)OC 34a_100000761923_100000211248 [0,1,0,0,0,0|1,0,2]=4 1618 B10R0.83 CC#CCOC(C)C(=O)OC 34a_100011215400_100000748600 [0,1,0,0,0,0|1,0,2]=4 1619 B10R0.83 CC#CCSC(C)C(=O)OC 62a_100000211248_100000748600 [0,1,0,0,0,0|1,0,2]=4 1620 B10R0.83 CC#CCSC(C)C(=O)OC 62a_100000748600_100000211248 [0,1,0,0,0,0|1,0,2]=4 1621 B10R0.83 CC(OCCCF)C(=O)NN 34a_100000725659_100011934791 [0,1,0,0,0,0|3,0,0]=4 1622 B10R0.83 CC(OCCCO)C(=O)NN 34a_100000725659_100000230001 [0,1,0,0,0,0|3,0,0]=4 1623 B10R0.83 CC=CCOC(C)C(=O)OC 34a_100011215400_100000070051 [0,1,0,0,0,0|1,0,2]=4 1624 B10R0.83 CC=CCSC(C)C(=O)OC 62a_100000070051_100000211248 [0,1,0,0,0,0|1,0,2]=4 1625 B10R0.83 CC=CCSC(C)C(=O)OC 62a_100000211248_100000070051 [0,1,0,0,0,0|1,0,2]=4 1626 B10R0.83 CCC(=O)C(C)NCCCF 2230a_100015189416_100000742827 [0,1,0,0,0,0|3,0,0]=4 1627 B10R0.83 CCC(=O)C(C)NCCOC 2230a_100000209980_100000742827 [0,1,0,0,0,0|3,0,0]=4 1628 B10R0.83 CCC(=O)C(C)NCCSC 2230a_100020590264_100000742827 [0,1,0,0,0,0|3,0,0]=4 1629 B10R0.83 CCC(=O)C(C)OCCSC 7a_100000230434_100000742827 [0,1,0,0,0,0|3,0,0]=4 1630 B10R0.83 CCC(=O)C(C)SCCCF 62a_100000742827_100011934791 [0,1,0,0,0,0|3,0,0]=4 1631 B10R0.83 CCC(=O)C(C)SCCCF 62a_100011934791_100000742827 [0,1,0,0,0,0|3,0,0]=4 1632 B10R0.83 CCC(=O)C(C)SCCCO 62a_100000742827_100011215043 [0,1,0,0,0,0|3,0,0]=4 1633 B10R0.83 CCC(=O)C(C)SCCCO 62a_100011215043_100000742827 [0,1,0,0,0,0|3,0,0]=4 1634 B10R0.83 CCC(=O)C(C)SCCOC 62a_100000233755_100000742827 [0,1,0,0,0,0|3,0,0]=4 1635 B10R0.83 CCC(=O)C(C)SCCOC 62a_100000742827_100000233755 [0,1,0,0,0,0|3,0,0]=4 1636 B10R0.83 CCC(=O)C(C)SCCSC 62a_100000212216_100000742827 [0,1,0,0,0,0|3,0,0]=4 1637 B10R0.83 CCC(=O)C(C)SCCSC 62a_100000742827_100000751147 [0,1,0,0,0,0|3,0,0]=4 1638 B10R0.83 CCC(=O)N(C)CCCCO 240690a_100000717598_100000210414 [0,1,0,0,0,0|3,0,0]=4 1639 B10R0.83 CCC(=O)N(C)CCCOC 11a_100000224831_100000210414 [0,1,0,0,0,0|3,0,0]=4 1640 B10R0.83 CCC(=O)N(C)CCCOC 1626a_100000224831_100000210414 [0,1,0,0,0,0|3,0,0]=4 1641 B10R0.83 CCC(=O)N(C)CCCOC 240690a_100000224831_100000210414 [0,1,0,0,0,0|3,0,0]=4 1642 B10R0.83 CCC(=O)N(C)CCCOC 527a_100000224831_100000210414 [0,1,0,0,0,0|3,0,0]=4 1643 B10R0.83 CCCCCC(=O)C(=O)NC 1458a_100011218921_100000210326 [0,1,0,0,0,0|2,0,1]=4 1644 B10R0.83 CCCCCC(C)C(=O)CC 1458a_100000210414_200011218191 [0,1,0,0,0,0|1,0,0]=2 1645 B10R0.83 CCCCCC(C)C(=O)CC 1458a_100011215998_100000210202 [0,1,0,0,0,0|1,0,0]=2 1646 B10R0.83 CCCCCC(C)C(=O)CF 1458a_100011215998_100015361967 [0,1,0,0,0,0|1,0,0]=2 1647 B10R0.83 CCCCCC(C)C(=O)CO 1458a_100000210174_200011218191 [0,1,0,0,0,0|0,0,0]=1 1648 B10R0.83 CCCCCC(C)C(=O)NC 11a_106832991635_100011215998 [0,1,0,0,0,0|1,0,0]=2 1649 B10R0.83 CCCCCC(C)C(=O)NC 1626a_100102657272_100011215998 [0,1,0,0,0,0|1,0,0]=2 1650 B10R0.83 CCCCCC(C)C(=O)NC 240690a_100102657272_100011215998 [0,1,0,0,0,0|1,0,0]=2 1651 B10R0.83 CCCCCC(C)C(=O)NC 527a_100102657272_100011215998 [0,1,0,0,0,0|1,0,0]=2 1652 B10R0.83 CCCCCC(C)N(C)CC 2230a_100000225621_200011218191 [0,1,0,0,0,0|3,0,0]=4 1653 B10R0.83 CCCCCC(C)N(C)CC 269982a_100000225621_200011218191 [0,1,0,0,0,0|3,0,0]=4 1654 B10R0.83 CCCCCN(C)C(=O)CC 11a_100000223495_100000210414 [0,1,0,0,0,0|2,0,0]=3 1655 B10R0.83 CCCCCN(C)C(=O)CC 1626a_100000223495_100000210414 [0,1,0,0,0,0|2,0,0]=3 1656 B10R0.83 CCCCCN(C)C(=O)CC 240690a_100000223495_100000210414 [0,1,0,0,0,0|2,0,0]=3 1657 B10R0.83 CCCCCN(C)C(=O)CC 527a_100000223495_100000210414 [0,1,0,0,0,0|2,0,0]=3 1658 B10R0.83 CCCCCN(C)C(=O)CO 240690a_100000223495_100000210174 [0,1,0,0,0,0|1,0,0]=2 1659 B10R0.83 CCCCCN(C)C(=O)CO 527a_100000223495_100000210174 [0,1,0,0,0,0|1,0,0]=2 1660 B10R0.83 CCCCCN(C)C(=O)NC 2708a_100102657272_100000223495 [0,1,0,0,0,0|2,0,0]=3 1661 B10R0.83 CCCCCN(C)C(=O)NC 273464a_100102657272_100000223495 [0,1,0,0,0,0|2,0,0]=3 1662 B10R0.83 CCCCCN(C)C(C)CO 2230a_100000223495_100012180447 [0,1,0,0,0,0|2,0,1]=4 1663 B10R0.83 CCCCCN(C)C(C)CO 2230a_100000693034_100000210326 [0,1,0,0,0,0|2,0,1]=4 1664 B10R0.83 CCCCCN(C)C(C)CO 269982a_100000693034_100000210215 [0,1,0,0,0,0|2,0,1]=4 1665 B10R0.83 CCCCCN(C)C(C)OC 269982a_100000223495_100009879195 [0,1,0,0,0,0|2,0,1]=4 1666 B10R0.83 CCCCCN(C)[C@H](C)CO 269982a_100000223495_100016084084 [0,1,0,0,0,0|2,0,1]=4 1667 B10R0.83 CCCCNC(=O)C(=O)OC 11a_100000102301_100000024059 [0,1,0,0,0,0|2,0,1]=4 1668 B10R0.83 CCCCNC(=O)C(=O)OC 1626a_100000102301_100000024059 [0,1,0,0,0,0|2,0,1]=4 1669 B10R0.83 CCCCNC(=O)C(=O)OC 240690a_100000102301_100000024059 [0,1,0,0,0,0|2,0,1]=4 1670 B10R0.83 CCCCNC(=O)C(=O)OC 527a_100000102301_100000024059 [0,1,0,0,0,0|2,0,1]=4 1671 B10R0.83 CCCCNC(C)C(=O)CC 2230a_100000102301_100000742827 [0,1,0,0,0,0|2,0,0]=3 1672 B10R0.83 CCCCNC(C)C(=O)CC 7a_106832991798_100000742827 [0,1,0,0,0,0|2,0,0]=3 1673 B10R0.83 CCCCNC(C)C(=O)NC 2230a_100000102301_100000731044 [0,1,0,0,0,0|2,0,0]=3 1674 B10R0.83 CCCCNC(C)C(=O)NC 7a_106832991798_100000209862 [0,1,0,0,0,0|2,0,0]=3 1675 B10R0.83 CCCCNC(C)C(=O)OC 2230a_100000102301_100000211248 [0,1,0,0,0,0|1,0,0]=2 1676 B10R0.83 CCCCNC(C)C(=O)OC 7a_106832991798_100000211248 [0,1,0,0,0,0|1,0,0]=2 1677 B10R0.83 CCCCNC(F)C(=O)NC 2230a_100000102301_100009813575 [0,1,0,0,0,0|3,0,0]=4 1678 B10R0.83 CCCCNC(F)C(=O)NC 7a_106832991798_100009813575 [0,1,0,0,0,0|3,0,0]=4 1679 B10R0.83 CCCCN[C@H](C)C(=O)NC 2230a_100000684985_100000210211 [0,1,0,0,0,0|2,0,0]=3 1680 B10R0.83 CCCCN[C@H](C)C(=O)NC 34a_100000684985_100000210210 [0,1,0,0,0,0|2,0,0]=3 1681 B10R0.83 CCCCOC(C)C(=O)CC 7a_100000210227_100000742827 [0,1,0,0,0,0|2,0,0]=3 1682 B10R0.83 CCCCOC(C)C(=O)NC 34a_100000210227_100000731044 [0,1,0,0,0,0|2,0,0]=3 1683 B10R0.83 CCCCOC(C)C(=O)NC 7a_100000210227_100000209862 [0,1,0,0,0,0|2,0,0]=3 1684 B10R0.83 CCCCOC(C)C(=O)NN 34a_100000725659_100000210210 [0,1,0,0,0,0|2,0,0]=3 1685 B10R0.83 CCCCOC(C)C(=O)OC 34a_100000210227_100000211248 [0,1,0,0,0,0|1,0,0]=2 1686 B10R0.83 CCCCOC(C)C(=O)OC 34a_100011215400_100000210210 [0,1,0,0,0,0|1,0,0]=2 1687 B10R0.83 CCCCOC(C)C(=O)OC 7a_100000210227_100000211248 [0,1,0,0,0,0|1,0,0]=2 1688 B10R0.83 CCCCOC(F)C(=O)NC 34a_100000210227_100009813575 [0,1,0,0,0,0|3,0,0]=4 1689 B10R0.83 CCCCOC(F)C(=O)NC 7a_100000210227_100009813575 [0,1,0,0,0,0|3,0,0]=4 1690 B10R0.83 CCCCSC(C)C(=O)CC 1458a_100000191163_100000210202 [0,1,0,0,0,0|2,0,0]=3 1691 B10R0.83 CCCCSC(C)C(=O)CC 62a_100000210211_100000742827 [0,1,0,0,0,0|2,0,0]=3 1692 B10R0.83 CCCCSC(C)C(=O)CC 62a_100000742827_100000210210 [0,1,0,0,0,0|2,0,0]=3 1693 B10R0.83 CCCCSC(C)C(=O)CF 1458a_100000191163_100015361967 [0,1,0,0,0,0|2,0,0]=3 1694 B10R0.83 CCCCSC(C)C(=O)NC 11a_106832991635_100000191163 [0,1,0,0,0,0|2,0,0]=3 1695 B10R0.83 CCCCSC(C)C(=O)NC 1626a_100102657272_100000191163 [0,1,0,0,0,0|2,0,0]=3 1696 B10R0.83 CCCCSC(C)C(=O)NC 240690a_100102657272_100000191163 [0,1,0,0,0,0|2,0,0]=3 1697 B10R0.83 CCCCSC(C)C(=O)NC 527a_100102657272_100000191163 [0,1,0,0,0,0|2,0,0]=3 1698 B10R0.83 CCCCSC(C)C(=O)NC 62a_100000209862_100000210210 [0,1,0,0,0,0|2,0,0]=3 1699 B10R0.83 CCCCSC(C)C(=O)NC 62a_100000210211_100000731044 [0,1,0,0,0,0|2,0,0]=3 1700 B10R0.83 CCCCSC(C)C(=O)OC 62a_100000210211_100000211248 [0,1,0,0,0,0|1,0,0]=2 1701 B10R0.83 CCCCSC(C)C(=O)OC 62a_100000211248_100000210210 [0,1,0,0,0,0|1,0,0]=2 1702 B10R0.83 CCCCSC(F)C(=O)NC 62a_100000210211_100009813575 [0,1,0,0,0,0|3,0,0]=4 1703 B10R0.83 CCCCSC(F)C(=O)NC 62a_100009813575_100000210210 [0,1,0,0,0,0|3,0,0]=4 1704 B10R0.83 CCCNCC(C)C(=O)NC 2230a_100015187722_100000210303 [0,1,0,0,0,0|2,0,0]=3 1705 B10R0.83 CCCNCC(C)C(=O)NC 34a_100015187722_100000210303 [0,1,0,0,0,0|2,0,0]=3 1706 B10R0.83 CCCNN=C(C)C(=O)OC 4a_100000740057_100000211753 [0,1,0,0,0,0|2,0,1]=4 1707 B10R0.83 CCCOCC(=O)C(=O)OC 34a_100000210258_100011610305 [0,1,0,0,0,0|2,0,1]=4 1708 B10R0.83 CCCOCC(C)C(=O)OC 34a_100000210258_100000698445 [0,1,0,0,0,0|1,0,0]=2 1709 B10R0.83 CCCOCC(C)C(=O)OC 34a_100000749362_100000210303 [0,1,0,0,0,0|1,0,0]=2 1710 B10R0.83 CCCOCC(C)C(=O)OC 7a_100000749362_100000210303 [0,1,0,0,0,0|1,0,0]=2 1711 B10R0.83 CCCOCC(F)C(=O)OC 34a_200009849844_100000210303 [0,1,0,0,0,0|2,0,0]=3 1712 B10R0.83 CCCOCC(N)C(=O)NN 34a_100016989258_100000210303 [0,1,0,0,0,0|3,0,0]=4 1713 B10R0.83 CCCOC[C@@H](N)C(=O)OC 34a_100000003586_100000210303 [0,1,0,0,0,0|2,0,0]=3 1714 B10R0.83 CCCSCC(=O)C(=O)OC 62a_100000210303_100011610305 [0,1,0,0,0,0|2,0,1]=4 1715 B10R0.83 CCCSCC(=O)C(=O)OC 62a_100011610305_100000210303 [0,1,0,0,0,0|2,0,1]=4 1716 B10R0.83 CCCSCC(C)C(=O)OC 62a_100000210303_100000698445 [0,1,0,0,0,0|1,0,0]=2 1717 B10R0.83 CCCSCC(C)C(=O)OC 62a_100000698445_100000210303 [0,1,0,0,0,0|1,0,0]=2 1718 B10R0.83 CCNCCC(C)C(=O)OC 2230a_100015525214_100000034942 [0,1,0,0,0,0|1,0,0]=2 1719 B10R0.83 CCOCCC(C)C(=O)OC 34a_100121572206_100000034942 [0,1,0,0,0,0|1,0,0]=2 1720 B10R0.83 CCOCSC(C)C(=O)CC 62a_100000739092_100000742827 [0,1,0,0,0,0|3,0,0]=4 1721 B10R0.83 CCOCSC(C)C(=O)CC 62a_100000742827_100000739092 [0,1,0,0,0,0|3,0,0]=4 1722 B10R0.83 CCOCSC(C)C(=O)NC 62a_100000209862_100000739092 [0,1,0,0,0,0|3,0,0]=4 1723 B10R0.83 CCOCSC(C)C(=O)NC 62a_100000739092_100000731044 [0,1,0,0,0,0|3,0,0]=4 1724 B10R0.83 CCOCSC(C)C(=O)OC 62a_100000211248_100000739092 [0,1,0,0,0,0|2,0,0]=3 1725 B10R0.83 CCOCSC(C)C(=O)OC 62a_100000739092_100000211248 [0,1,0,0,0,0|2,0,0]=3 1726 B10R0.83 CCSCCC(C)C(=O)OC 62a_100000034942_100000210202 [0,1,0,0,0,0|1,0,0]=2 1727 B10R0.83 CCSCCC(C)C(=O)OC 62a_100000210202_100000034942 [0,1,0,0,0,0|1,0,0]=2 1728 B10R0.83 CN(CCCCO)C(=O)CO 240690a_100000717598_100000210174 [0,1,0,0,0,0|2,0,0]=3 1729 B10R0.83 CNC(=O)C(C)CNCCF 2230a_100015187722_100011217306 [0,1,0,0,0,0|3,0,0]=4 1730 B10R0.83 CNC(=O)C(C)CNCCF 34a_100015187722_100011217306 [0,1,0,0,0,0|3,0,0]=4 1731 B10R0.83 CNC(=O)C(C)CNCCO 2230a_100015187722_100000211926 [0,1,0,0,0,0|3,0,0]=4 1732 B10R0.83 CNC(=O)C(C)CNCCO 34a_100015187722_100000211926 [0,1,0,0,0,0|3,0,0]=4 1733 B10R0.83 CNC(=O)C(C)CNCOC 2230a_100015187722_100000766300 [0,1,0,0,0,0|3,0,0]=4 1734 B10R0.83 CNC(=O)C(C)CNCSC 2230a_100015187722_100011218213 [0,1,0,0,0,0|3,0,0]=4 1735 B10R0.83 CNC(=O)C(C)CNCSC 34a_100015187722_100011218213 [0,1,0,0,0,0|3,0,0]=4 1736 B10R0.83 CNC(=O)C(C)NCCCF 2230a_100015189416_100000731044 [0,1,0,0,0,0|3,0,0]=4 1737 B10R0.83 CNC(=O)C(C)NCCCF 34a_100015189416_100000731044 [0,1,0,0,0,0|3,0,0]=4 1738 B10R0.83 CNC(=O)C(C)NCCOC 2230a_100000209980_100000731044 [0,1,0,0,0,0|3,0,0]=4 1739 B10R0.83 CNC(=O)C(C)NCCSC 2230a_100020590264_100000731044 [0,1,0,0,0,0|3,0,0]=4 1740 B10R0.83 CNC(=O)C(C)OCCCBr 34a_100011217188_100000731044 [0,1,0,0,0,0|3,0,0]=4 1741 B10R0.83 CNC(=O)C(C)OCCCCl 34a_100000230001_100000731044 [0,1,0,0,0,0|3,0,0]=4 1742 B10R0.83 CNC(=O)C(C)OCCCF 34a_100000759539_100000731044 [0,1,0,0,0,0|3,0,0]=4 1743 B10R0.83 CNC(=O)C(C)OCCCN 34a_100000182051_100000731044 [0,1,0,0,0,0|3,0,0]=4 1744 B10R0.83 CNC(=O)C(C)OCCOC 34a_100000210237_100000731044 [0,1,0,0,0,0|3,0,0]=4 1745 B10R0.83 CNC(=O)C(C)OCCSC 34a_100000230434_100000731044 [0,1,0,0,0,0|3,0,0]=4 1746 B10R0.83 CNC(=O)C(C)OCCSC 7a_100000230434_100000209862 [0,1,0,0,0,0|3,0,0]=4 1747 B10R0.83 CNC(=O)C(C)SCCCF 62a_100000209862_100011934791 [0,1,0,0,0,0|3,0,0]=4 1748 B10R0.83 CNC(=O)C(C)SCCCF 62a_100011934791_100000731044 [0,1,0,0,0,0|3,0,0]=4 1749 B10R0.83 CNC(=O)C(C)SCCCO 62a_100000209862_100011215043 [0,1,0,0,0,0|3,0,0]=4 1750 B10R0.83 CNC(=O)C(C)SCCCO 62a_100011215043_100000731044 [0,1,0,0,0,0|3,0,0]=4 1751 B10R0.83 CNC(=O)C(C)SCCOC 62a_100000209862_100000233755 [0,1,0,0,0,0|3,0,0]=4 1752 B10R0.83 CNC(=O)C(C)SCCOC 62a_100000233755_100000731044 [0,1,0,0,0,0|3,0,0]=4 1753 B10R0.83 CNC(=O)C(C)SCCSC 62a_100000209862_100000751147 [0,1,0,0,0,0|3,0,0]=4 1754 B10R0.83 CNC(=O)C(C)SCCSC 62a_100000212216_100000731044 [0,1,0,0,0,0|3,0,0]=4 1755 B10R0.83 CNC(=O)N(C)CCCCO 2708a_100102657272_100000717598 [0,1,0,0,0,0|3,0,0]=4 1756 B10R0.83 CNC(=O)N(C)CCCCO 273464a_100102657272_100000717598 [0,1,0,0,0,0|3,0,0]=4 1757 B10R0.83 CNC(=O)N(C)CCCOC 2708a_100102657272_100000224831 [0,1,0,0,0,0|3,0,0]=4 1758 B10R0.83 CNC(=O)N(C)CCCOC 273464a_100102657272_100000224831 [0,1,0,0,0,0|3,0,0]=4 1759 B10R0.83 CNC(=O)[C@@H](C)NCCCF 2230a_100000684985_100011934791 [0,1,0,0,0,0|3,0,0]=4 1760 B10R0.83 CNC(=O)[C@@H](C)NCCCF 34a_100000684985_100011934791 [0,1,0,0,0,0|3,0,0]=4 1761 B10R0.83 CNC(=O)[C@@H](C)NCCCO 2230a_100000684985_100000230001 [0,1,0,0,0,0|3,0,0]=4 1762 B10R0.83 CNC(=O)[C@@H](C)NCCCO 34a_100000684985_100000230001 [0,1,0,0,0,0|3,0,0]=4 1763 B10R0.83 CNC(=O)[C@@H](C)NCCOC 2230a_100000684985_100011201679 [0,1,0,0,0,0|3,0,0]=4 1764 B10R0.83 CNC(=O)[C@@H](C)NCCOC 34a_100000684985_100011201679 [0,1,0,0,0,0|3,0,0]=4 1765 B10R0.83 CNC(=O)[C@@H](C)NCCSC 2230a_100000684985_100000751147 [0,1,0,0,0,0|3,0,0]=4 1766 B10R0.83 CNC(=O)[C@@H](C)NCCSC 34a_100000684985_100000212216 [0,1,0,0,0,0|3,0,0]=4 1767 B10R0.83 COC(=O)C(C)CCSCF 62a_100000034942_100015361967 [0,1,0,0,0,0|2,0,0]=3 1768 B10R0.83 COC(=O)C(C)CCSCF 62a_100015361967_100000034942 [0,1,0,0,0,0|2,0,0]=3 1769 B10R0.83 COC(=O)C(C)CNCCF 34a_100000724931_100000698445 [0,1,0,0,0,0|2,0,0]=3 1770 B10R0.83 COC(=O)C(C)CNCCO 34a_100016990907_100000698445 [0,1,0,0,0,0|2,0,0]=3 1771 B10R0.83 COC(=O)C(C)COCC#N 7a_100000749362_100011215382 [0,1,0,0,0,0|2,0,1]=4 1772 B10R0.83 COC(=O)C(C)COCC=O 34a_100000749362_200009817547 [0,1,0,0,0,0|2,0,1]=4 1773 B10R0.83 COC(=O)C(C)COCC=O 7a_100000749362_200015260668 [0,1,0,0,0,0|2,0,1]=4 1774 B10R0.83 COC(=O)C(C)COCCBr 34a_100000211926_100000698445 [0,1,0,0,0,0|2,0,0]=3 1775 B10R0.83 COC(=O)C(C)COCCF 34a_100000749362_100011217306 [0,1,0,0,0,0|2,0,0]=3 1776 B10R0.83 COC(=O)C(C)COCCF 7a_100000749362_100011217306 [0,1,0,0,0,0|2,0,0]=3 1777 B10R0.83 COC(=O)C(C)COCCN 34a_100000210304_100000698445 [0,1,0,0,0,0|2,0,0]=3 1778 B10R0.83 COC(=O)C(C)COCCO 34a_100000749362_100000211926 [0,1,0,0,0,0|2,0,0]=3 1779 B10R0.83 COC(=O)C(C)COCCO 7a_100000749362_100000211926 [0,1,0,0,0,0|2,0,0]=3 1780 B10R0.83 COC(=O)C(C)COCSC 34a_100000749362_100011218213 [0,1,0,0,0,0|2,0,0]=3 1781 B10R0.83 COC(=O)C(C)CSCC#N 62a_100000698445_100011215382 [0,1,0,0,0,0|2,0,1]=4 1782 B10R0.83 COC(=O)C(C)CSCC#N 62a_100011215382_100000698445 [0,1,0,0,0,0|2,0,1]=4 1783 B10R0.83 COC(=O)C(C)CSCC=O 62a_100000698445_200015260668 [0,1,0,0,0,0|2,0,1]=4 1784 B10R0.83 COC(=O)C(C)CSCC=O 62a_200015260668_100000698445 [0,1,0,0,0,0|2,0,1]=4 1785 B10R0.83 COC(=O)C(C)CSCCF 62a_100000698445_100011217306 [0,1,0,0,0,0|2,0,0]=3 1786 B10R0.83 COC(=O)C(C)CSCCF 62a_100011217306_100000698445 [0,1,0,0,0,0|2,0,0]=3 1787 B10R0.83 COC(=O)C(C)CSCCO 62a_100000211926_100000698445 [0,1,0,0,0,0|2,0,0]=3 1788 B10R0.83 COC(=O)C(C)CSCCO 62a_100000698445_100000211926 [0,1,0,0,0,0|2,0,0]=3 1789 B10R0.83 COC(=O)C(C)CSCSC 62a_100000698445_100011218213 [0,1,0,0,0,0|2,0,0]=3 1790 B10R0.83 COC(=O)C(C)CSCSC 62a_100011218213_100000698445 [0,1,0,0,0,0|2,0,0]=3 1791 B10R0.83 COC(=O)C(C)NCCCF 2230a_100015189416_100000211248 [0,1,0,0,0,0|2,0,0]=3 1792 B10R0.83 COC(=O)C(C)NCCCF 34a_100015189416_100000211248 [0,1,0,0,0,0|2,0,0]=3 1793 B10R0.83 COC(=O)C(C)NCCSC 2230a_100020590264_100000211248 [0,1,0,0,0,0|2,0,0]=3 1794 B10R0.83 COC(=O)C(C)OCCCBr 34a_100011217188_100000211248 [0,1,0,0,0,0|2,0,0]=3 1795 B10R0.83 COC(=O)C(C)OCCCCl 34a_100000230001_100000211248 [0,1,0,0,0,0|2,0,0]=3 1796 B10R0.83 COC(=O)C(C)OCCCF 34a_100000759539_100000211248 [0,1,0,0,0,0|2,0,0]=3 1797 B10R0.83 COC(=O)C(C)OCCCF 34a_100011215400_100011934791 [0,1,0,0,0,0|2,0,0]=3 1798 B10R0.83 COC(=O)C(C)OCCCN 34a_100000182051_100000211248 [0,1,0,0,0,0|2,0,0]=3 1799 B10R0.83 COC(=O)C(C)OCCCO 34a_100011215400_100000230001 [0,1,0,0,0,0|2,0,0]=3 1800 B10R0.83 COC(=O)C(C)OCCON 34a_100000700252_100000211248 [0,1,0,0,0,0|3,0,0]=4 1801 B10R0.83 COC(=O)C(C)OCCSC 34a_100000230434_100000211248 [0,1,0,0,0,0|2,0,0]=3 1802 B10R0.83 COC(=O)C(C)OCCSC 34a_100011215400_100000212216 [0,1,0,0,0,0|2,0,0]=3 1803 B10R0.83 COC(=O)C(C)OCCSC 7a_100000230434_100000211248 [0,1,0,0,0,0|2,0,0]=3 1804 B10R0.83 COC(=O)C(C)SCCC#N 62a_100000211248_100011215226 [0,1,0,0,0,0|2,0,1]=4 1805 B10R0.83 COC(=O)C(C)SCCC#N 62a_100011215226_100000211248 [0,1,0,0,0,0|2,0,1]=4 1806 B10R0.83 COC(=O)C(C)SCCCF 62a_100000211248_100011934791 [0,1,0,0,0,0|2,0,0]=3 1807 B10R0.83 COC(=O)C(C)SCCCF 62a_100011934791_100000211248 [0,1,0,0,0,0|2,0,0]=3 1808 B10R0.83 COC(=O)C(C)SCCCO 62a_100000211248_100011215043 [0,1,0,0,0,0|2,0,0]=3 1809 B10R0.83 COC(=O)C(C)SCCCO 62a_100011215043_100000211248 [0,1,0,0,0,0|2,0,0]=3 1810 B10R0.83 COC(=O)C(C)SCCSC 62a_100000211248_100000751147 [0,1,0,0,0,0|2,0,0]=3 1811 B10R0.83 COC(=O)C(C)SCCSC 62a_100000212216_100000211248 [0,1,0,0,0,0|2,0,0]=3 1812 B10R0.83 COC(=O)C(F)COCCF 34a_200009849844_100011217306 [0,1,0,0,0,0|3,0,0]=4 1813 B10R0.83 COC(=O)C(F)COCCO 34a_200009849844_100000211926 [0,1,0,0,0,0|3,0,0]=4 1814 B10R0.83 COC(=O)C(F)COCSC 34a_200009849844_100011218213 [0,1,0,0,0,0|3,0,0]=4 1815 B10R0.83 COC(=O)[C@H](N)COCCF 34a_100000003586_100011217306 [0,1,0,0,0,0|3,0,0]=4 1816 B10R0.83 COC(=O)[C@H](N)COCCO 34a_100000003586_100000211926 [0,1,0,0,0,0|3,0,0]=4 1817 B10R0.83 COC(=O)[C@H](N)COCSC 34a_100000003586_100011218213 [0,1,0,0,0,0|3,0,0]=4 1818 B10R0.83 COCCCN(C)C(=O)CO 240690a_100000224831_100000210174 [0,1,0,0,0,0|2,0,0]=3 1819 B10R0.83 COCCCN(C)C(=O)CO 527a_100000224831_100000210174 [0,1,0,0,0,0|2,0,0]=3 1820 B10R0.83 COCCNC(C)C(=O)OC 2230a_100000209980_100000211248 [0,1,0,0,0,0|2,0,0]=3 1821 B10R0.83 COCCOC(C)C(=O)NN 34a_100000725659_100011201679 [0,1,0,0,0,0|3,0,0]=4 1822 B10R0.83 COCCOC(C)C(=O)OC 34a_100000210237_100000211248 [0,1,0,0,0,0|2,0,0]=3 1823 B10R0.83 COCCOC(C)C(=O)OC 34a_100011215400_100011201679 [0,1,0,0,0,0|2,0,0]=3 1824 B10R0.83 COCCSC(C)C(=O)OC 62a_100000211248_100000233755 [0,1,0,0,0,0|2,0,0]=3 1825 B10R0.83 COCCSC(C)C(=O)OC 62a_100000233755_100000211248 [0,1,0,0,0,0|2,0,0]=3 1826 B10R0.83 COCSCC(C)C(=O)OC 62a_100000698445_100000766300 [0,1,0,0,0,0|2,0,0]=3 1827 B10R0.83 COCSCC(C)C(=O)OC 62a_100000766300_100000698445 [0,1,0,0,0,0|2,0,0]=3 1828 B10R0.83 CSCCOC(C)C(=O)NN 34a_100000725659_100000212216 [0,1,0,0,0,0|3,0,0]=4 1829 B10R0.86 C#CCCNC(CO)C(=O)O 269956a_100000187304_100000688953 [0,1,0,0,0,0|1,0,2]=4 1830 B10R0.86 C#CCCN[C@H](CC)C(=O)O 269956a_100000747097_100000688953 [0,1,0,0,0,0|1,0,2]=4 1831 B10R0.86 C/C=C/CNC(CO)C(=O)O 269956a_100000187304_100102629194 [0,1,0,0,0,0|1,0,2]=4 1832 B10R0.86 C/C=C/CN[C@H](CC)C(=O)O 269956a_100000747097_100102629194 [0,1,0,0,0,0|1,0,2]=4 1833 B10R0.86 C=CCCNC(CO)C(=O)O 269956a_100000187304_100000754431 [0,1,0,0,0,0|1,0,2]=4 1834 B10R0.86 C=CCCN[C@H](CC)C(=O)O 269956a_100000747097_100000754431 [0,1,0,0,0,0|1,0,2]=4 1835 B10R0.86 C=C[C@H](NCCCC)C(=O)O 269956a_100016992060_100000210211 [0,1,0,0,0,0|1,0,1]=3 1836 B10R0.86 C=C[C@H](NCCCF)C(=O)O 269956a_100016992060_100011934791 [0,1,0,0,0,0|2,0,1]=4 1837 B10R0.86 C=C[C@H](NCCCO)C(=O)O 269956a_100016992060_100011215043 [0,1,0,0,0,0|2,0,1]=4 1838 B10R0.86 C=C[C@H](NCCOC)C(=O)O 269956a_100016992060_100000233755 [0,1,0,0,0,0|2,0,1]=4 1839 B10R0.86 C=C[C@H](NCCSC)C(=O)O 269956a_100016992060_100000212216 [0,1,0,0,0,0|2,0,1]=4 1840 B10R0.86 C=C[C@H](NCOCC)C(=O)O 269956a_100016992060_100000739092 [0,1,0,0,0,0|2,0,1]=4 1841 B10R0.86 CC#CCNC(CO)C(=O)O 269956a_100000187304_100000748600 [0,1,0,0,0,0|1,0,2]=4 1842 B10R0.86 CC#CCN[C@H](CC)C(=O)O 269956a_100000747097_100000748600 [0,1,0,0,0,0|1,0,2]=4 1843 B10R0.86 CCC(NCCCF)C(=O)N 2230a_100000733705_100011934791 [0,1,0,0,0,0|3,0,0]=4 1844 B10R0.86 CCC(NCCCF)C(=O)N 2230a_100015189416_100000750255 [0,1,0,0,0,0|3,0,0]=4 1845 B10R0.86 CCC(NCCCF)C(=O)N 34a_100000733705_100011934791 [0,1,0,0,0,0|3,0,0]=4 1846 B10R0.86 CCC(NCCCF)C(=O)N 34a_100015189416_100000750255 [0,1,0,0,0,0|3,0,0]=4 1847 B10R0.86 CCC(NCCCO)C(=O)N 2230a_100000733705_100000230001 [0,1,0,0,0,0|3,0,0]=4 1848 B10R0.86 CCC(NCCCO)C(=O)N 34a_100000733705_100000230001 [0,1,0,0,0,0|3,0,0]=4 1849 B10R0.86 CCC(NCCOC)C(=O)N 2230a_100000209980_100000750255 [0,1,0,0,0,0|3,0,0]=4 1850 B10R0.86 CCC(NCCOC)C(=O)N 2230a_100000733705_100011201679 [0,1,0,0,0,0|3,0,0]=4 1851 B10R0.86 CCC(NCCOC)C(=O)N 34a_100000733705_100011201679 [0,1,0,0,0,0|3,0,0]=4 1852 B10R0.86 CCC(NCCSC)C(=O)N 2230a_100000733705_100000751147 [0,1,0,0,0,0|3,0,0]=4 1853 B10R0.86 CCC(NCCSC)C(=O)N 2230a_100020590264_100000750255 [0,1,0,0,0,0|3,0,0]=4 1854 B10R0.86 CCC(NCCSC)C(=O)N 34a_100000733705_100000212216 [0,1,0,0,0,0|3,0,0]=4 1855 B10R0.86 CCC(OCCCBr)C(=O)N 34a_100011217188_100000750255 [0,1,0,0,0,0|3,0,0]=4 1856 B10R0.86 CCC(OCCCCl)C(=O)N 34a_100000230001_100000750255 [0,1,0,0,0,0|3,0,0]=4 1857 B10R0.86 CCC(OCCCF)C(=O)N 34a_100000759539_100000750255 [0,1,0,0,0,0|3,0,0]=4 1858 B10R0.86 CCC(OCCCN)C(=O)N 34a_100000182051_100000750255 [0,1,0,0,0,0|3,0,0]=4 1859 B10R0.86 CCC(OCCOC)C(=O)N 34a_100000210237_100000750255 [0,1,0,0,0,0|3,0,0]=4 1860 B10R0.86 CCC(OCCSC)C(=O)N 34a_100000230434_100000750255 [0,1,0,0,0,0|3,0,0]=4 1861 B10R0.86 CCC(OCCSC)C(=O)N 7a_100000230434_100000750255 [0,1,0,0,0,0|3,0,0]=4 1862 B10R0.86 CCC(SCCCF)C(=O)N 62a_100000750255_100011934791 [0,1,0,0,0,0|3,0,0]=4 1863 B10R0.86 CCC(SCCCF)C(=O)N 62a_100011934791_100000750255 [0,1,0,0,0,0|3,0,0]=4 1864 B10R0.86 CCC(SCCCO)C(=O)N 62a_100000750255_100011215043 [0,1,0,0,0,0|3,0,0]=4 1865 B10R0.86 CCC(SCCCO)C(=O)N 62a_100011215043_100000750255 [0,1,0,0,0,0|3,0,0]=4 1866 B10R0.86 CCC(SCCOC)C(=O)N 62a_100000233755_100000750255 [0,1,0,0,0,0|3,0,0]=4 1867 B10R0.86 CCC(SCCOC)C(=O)N 62a_100000750255_100000233755 [0,1,0,0,0,0|3,0,0]=4 1868 B10R0.86 CCC(SCCSC)C(=O)N 62a_100000212216_100000750255 [0,1,0,0,0,0|3,0,0]=4 1869 B10R0.86 CCC(SCCSC)C(=O)N 62a_100000750255_100000751147 [0,1,0,0,0,0|3,0,0]=4 1870 B10R0.86 CCCCCC(CC)C(=O)C 1458a_100000697129_200000210301 [0,1,0,0,0,0|1,0,0]=2 1871 B10R0.86 CCCCCC(CC)C(=O)[13CH3] 1458a_100000697129_200025704644 [0,1,0,0,0,0|1,0,0]=2 1872 B10R0.86 CCCCCC(CC)N(C)C 270004a_100102631434_100011215316 [0,1,0,0,0,0|3,0,0]=4 1873 B10R0.86 CCCCCC(OC)C(C)C 34a_200011216997_200000210301 [0,1,0,0,0,0|2,0,1]=4 1874 B10R0.86 CCCCCC(OC)C(C)C 7a_200011216997_200000210301 [0,1,0,0,0,0|2,0,1]=4 1875 B10R0.86 CCCCCC(O[13CH3])C(C)C 34a_200011216997_200025704644 [0,1,0,0,0,0|2,0,1]=4 1876 B10R0.86 CCCCCC(O[13CH3])C(C)C 7a_200011216997_200025704644 [0,1,0,0,0,0|2,0,1]=4 1877 B10R0.86 CCCCNC(C#N)C(=O)N 2230a_100000039599_100000210211 [0,1,0,0,0,0|2,0,1]=4 1878 B10R0.86 CCCCNC(CC)C(=O)N 2230a_100000102301_100000750255 [0,1,0,0,0,0|2,0,0]=3 1879 B10R0.86 CCCCNC(CC)C(=O)N 2230a_100000733705_100000210211 [0,1,0,0,0,0|2,0,0]=3 1880 B10R0.86 CCCCNC(CC)C(=O)N 34a_100000733705_100000210210 [0,1,0,0,0,0|2,0,0]=3 1881 B10R0.86 CCCCNC(CC)C(=O)N 7a_106832991798_100000750255 [0,1,0,0,0,0|2,0,0]=3 1882 B10R0.86 CCCCNC(CO)C(=O)O 269956a_100000187304_100000210211 [0,1,0,0,0,0|1,0,0]=2 1883 B10R0.86 CCCCN[C@@H](CC)[C@@H](C)O 2230a_100161114882_100000210211 [0,1,0,0,0,0|2,0,1]=4 1884 B10R0.86 CCCCN[C@@H](CC)[C@@H](C)O 34a_100161114882_100000210210 [0,1,0,0,0,0|2,0,1]=4 1885 B10R0.86 CCCCN[C@@H](CO)C(=O)N 2230a_100000729942_100000210211 [0,1,0,0,0,0|2,0,0]=3 1886 B10R0.86 CCCCN[C@@H](CO)C(=O)N 34a_100000729942_100000210210 [0,1,0,0,0,0|2,0,0]=3 1887 B10R0.86 CCCCN[C@H](CC)C(=O)O 269956a_100000747097_100000210211 [0,1,0,0,0,0|1,0,0]=2 1888 B10R0.86 CCCCN[C@H](CO)[C@@H](C)O 2230a_100015196842_100000210211 [0,1,0,0,0,0|2,0,1]=4 1889 B10R0.86 CCCCN[C@H](CO)[C@@H](C)O 34a_100015196842_100000210210 [0,1,0,0,0,0|2,0,1]=4 1890 B10R0.86 CCCCOC(CC)C(=O)N 34a_100000210227_100000750255 [0,1,0,0,0,0|2,0,0]=3 1891 B10R0.86 CCCCOC(CC)C(=O)N 7a_100000210227_100000750255 [0,1,0,0,0,0|2,0,0]=3 1892 B10R0.86 CCCCSC(CC)C(=O)N 62a_100000210211_100000750255 [0,1,0,0,0,0|2,0,0]=3 1893 B10R0.86 CCCCSC(CC)C(=O)N 62a_100000750255_100000210210 [0,1,0,0,0,0|2,0,0]=3 1894 B10R0.86 CCN(CCCCO)C(=O)C 240690a_100011217355_100015343762 [0,1,0,0,0,0|3,0,0]=4 1895 B10R0.86 CCOCNC(CO)C(=O)O 269956a_100000187304_100000739092 [0,1,0,0,0,0|2,0,0]=3 1896 B10R0.86 CCOCN[C@H](CC)C(=O)O 269956a_100000747097_100000739092 [0,1,0,0,0,0|2,0,0]=3 1897 B10R0.86 CCOCSC(CC)C(=O)N 62a_100000739092_100000750255 [0,1,0,0,0,0|3,0,0]=4 1898 B10R0.86 CCOCSC(CC)C(=O)N 62a_100000750255_100000739092 [0,1,0,0,0,0|3,0,0]=4 1899 B10R0.86 CC[C@@H](NCCC#N)C(=O)O 269956a_100000747097_100011215226 [0,1,0,0,0,0|2,0,1]=4 1900 B10R0.86 CC[C@@H](NCCCF)C(=O)O 269956a_100000747097_100011934791 [0,1,0,0,0,0|2,0,0]=3 1901 B10R0.86 CC[C@@H](NCCCO)C(=O)O 269956a_100000747097_100011215043 [0,1,0,0,0,0|2,0,0]=3 1902 B10R0.86 CC[C@@H](NCCOC)C(=O)O 269956a_100000747097_100000233755 [0,1,0,0,0,0|2,0,0]=3 1903 B10R0.86 CC[C@@H](NCCSC)C(=O)O 269956a_100000747097_100000212216 [0,1,0,0,0,0|2,0,0]=3 1904 B10R0.86 COCCNC(CO)C(=O)O 269956a_100000187304_100000233755 [0,1,0,0,0,0|2,0,0]=3 1905 B10R0.86 COCCN[C@@H](CO)C(=O)N 2230a_100000729942_100011201679 [0,1,0,0,0,0|3,0,0]=4 1906 B10R0.86 COCCN[C@@H](CO)C(=O)N 34a_100000729942_100011201679 [0,1,0,0,0,0|3,0,0]=4 1907 B10R0.86 CSCCNC(CO)C(=O)O 269956a_100000187304_100000212216 [0,1,0,0,0,0|2,0,0]=3 1908 B10R0.86 CSCCN[C@@H](CO)C(=O)N 2230a_100000729942_100000751147 [0,1,0,0,0,0|3,0,0]=4 1909 B10R0.86 CSCCN[C@@H](CO)C(=O)N 34a_100000729942_100000212216 [0,1,0,0,0,0|3,0,0]=4 1910 B10R0.86 N#CCCNC(CO)C(=O)O 269956a_100000187304_100011215226 [0,1,0,0,0,0|2,0,1]=4 1911 B10R0.86 NC(=O)[C@H](CO)NCCCF 2230a_100000729942_100011934791 [0,1,0,0,0,0|3,0,0]=4 1912 B10R0.86 NC(=O)[C@H](CO)NCCCF 34a_100000729942_100011934791 [0,1,0,0,0,0|3,0,0]=4 1913 B10R0.86 NC(=O)[C@H](CO)NCCCO 2230a_100000729942_100000230001 [0,1,0,0,0,0|3,0,0]=4 1914 B10R0.86 NC(=O)[C@H](CO)NCCCO 34a_100000729942_100000230001 [0,1,0,0,0,0|3,0,0]=4 1915 B10R0.86 O=C(O)C(CO)NCCCF 269956a_100000187304_100011934791 [0,1,0,0,0,0|2,0,0]=3 1916 B10R0.86 O=C(O)C(CO)NCCCO 269956a_100000187304_100011215043 [0,1,0,0,0,0|2,0,0]=3 1917 B10R0.98 C=C(C)C(C)NCCC(C)C 269862a_100000210545_100011216138 [0,1,0,0,0,0|3,0,0]=4 1918 B10R0.98 C=C(C)C(C)NCCC(C)O 269862a_200000755665_100011216138 [0,1,0,0,0,0|3,0,0]=4 1919 B10R0.98 C=C(C)CCN[C@@H](C)C(=O)O 269956a_100000743915_100000730704 [0,1,0,0,0,0|1,0,1]=3 1920 B10R0.98 C=C(C)CCN[C@H](C)C(=O)N 2230a_100000119354_100000730704 [0,1,0,0,0,0|2,0,1]=4 1921 B10R0.98 C=C(C)CCN[C@H](C)C(=O)N 34a_100000119354_100000730704 [0,1,0,0,0,0|2,0,1]=4 1922 B10R0.98 C=C(C)CCOC(C)C(=O)C 34a_100000212229_100000730704 [0,1,0,0,0,0|2,0,1]=4 1923 B10R0.98 C=C(C)CCOC(C)C(=O)N 34a_100000764851_100000702099 [0,1,0,0,0,0|2,0,1]=4 1924 B10R0.98 C=C(C)CCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000730704 [0,1,0,0,0,0|1,0,2]=4 1925 B10R0.98 C=C(C)CCO[C@H](C)C(=O)N 34a_100000731257_100000730704 [0,1,0,0,0,0|2,0,1]=4 1926 B10R0.98 C=C(C)CCO[C@H](C)C(=O)N 7a_100000731257_100000730704 [0,1,0,0,0,0|2,0,1]=4 1927 B10R0.98 C=C(C)CCSC(C)C(=O)C 62a_100000730704_100009814033 [0,1,0,0,0,0|2,0,1]=4 1928 B10R0.98 C=C(C)CCSC(C)C(=O)C 62a_100009814033_100000730704 [0,1,0,0,0,0|2,0,1]=4 1929 B10R0.98 C=C(C)CCSC(C)C(=O)N 62a_100000702099_100000730704 [0,1,0,0,0,0|2,0,1]=4 1930 B10R0.98 C=C(C)CCSC(C)C(=O)N 62a_100000730704_100000702099 [0,1,0,0,0,0|2,0,1]=4 1931 B10R0.98 C=C(C)CNCC(C)C(=O)O 269956a_100000749485_100000748629 [0,1,0,0,0,0|1,0,1]=3 1932 B10R0.98 C=C(C)CNCC(F)C(=O)O 269956a_100000084737_100000748629 [0,1,0,0,0,0|2,0,1]=4 1933 B10R0.98 C=C(C)COCC(C)C(=O)C 34a_100000032740_100000748629 [0,1,0,0,0,0|2,0,1]=4 1934 B10R0.98 C=C(C)COCC(C)C(=O)C 7a_100000032740_100000748629 [0,1,0,0,0,0|2,0,1]=4 1935 B10R0.98 C=C(F)CNCC(C)C(=O)O 269956a_100000749485_100000042424 [0,1,0,0,0,0|1,0,2]=4 1936 B10R0.98 CC(=CCN[C@@H](C)C(=O)O)C 269956a_100000743915_100000761012 [0,1,0,0,0,0|1,0,2]=4 1937 B10R0.98 CC(=O)C(C)COCC(C)C 34a_100000032740_100000210624 [0,1,0,0,0,0|2,0,0]=3 1938 B10R0.98 CC(=O)C(C)COCC(C)C 7a_100000032740_100000210760 [0,1,0,0,0,0|2,0,0]=3 1939 B10R0.98 CC(=O)C(C)COCC(C)O 34a_100000032740_100011218427 [0,1,0,0,0,0|2,0,0]=3 1940 B10R0.98 CC(=O)C(C)COCC(C)O 7a_100000032740_100011218427 [0,1,0,0,0,0|2,0,0]=3 1941 B10R0.98 CC(=O)C(C)COCC(F)F 34a_100000032740_100011934356 [0,1,0,0,0,0|3,0,0]=4 1942 B10R0.98 CC(=O)C(C)COCC(F)F 7a_100000032740_100011934356 [0,1,0,0,0,0|3,0,0]=4 1943 B10R0.98 CC(=O)C(C)COC[C@@H](C)O 34a_100000032740_100009817552 [0,1,0,0,0,0|2,0,0]=3 1944 B10R0.98 CC(=O)C(C)COC[C@@H](C)O 7a_100000032740_100009817552 [0,1,0,0,0,0|2,0,0]=3 1945 B10R0.98 CC(=O)C(C)NCCC(C)O 2230a_200000755665_100009814033 [0,1,0,0,0,0|2,0,0]=3 1946 B10R0.98 CC(=O)C(C)OCCC(C)C 34a_100000212229_100000210312 [0,1,0,0,0,0|2,0,0]=3 1947 B10R0.98 CC(=O)C(C)OCCC(C)C 7a_100000210254_100000179758 [0,1,0,0,0,0|2,0,0]=3 1948 B10R0.98 CC(=O)C(C)OCCC(C)O 34a_100000212229_100012276601 [0,1,0,0,0,0|2,0,0]=3 1949 B10R0.98 CC(=O)C(C)OCOC(C)C 34a_100000212229_100000709892 [0,1,0,0,0,0|3,0,0]=4 1950 B10R0.98 CC(=O)C(C)SCCC(C)C 62a_100000210312_100009814033 [0,1,0,0,0,0|2,0,0]=3 1951 B10R0.98 CC(=O)C(C)SCCC(C)C 62a_100009814033_100000210312 [0,1,0,0,0,0|2,0,0]=3 1952 B10R0.98 CC(=O)C(C)SCCC(C)O 62a_100009814033_100012276601 [0,1,0,0,0,0|2,0,0]=3 1953 B10R0.98 CC(=O)C(C)SCCC(C)O 62a_100012276601_100009814033 [0,1,0,0,0,0|2,0,0]=3 1954 B10R0.98 CC(=O)C(C)SCCN(C)C 62a_100009814033_100000755713 [0,1,0,0,0,0|3,0,0]=4 1955 B10R0.98 CC(=O)C(C)SCOC(C)C 62a_100000709892_100009814033 [0,1,0,0,0,0|3,0,0]=4 1956 B10R0.98 CC(=O)C(C)SCOC(C)C 62a_100009814033_100000709892 [0,1,0,0,0,0|3,0,0]=4 1957 B10R0.98 CC(=O)CCN[C@@H](C)C(=O)O 269956a_100000743915_100000053229 [0,1,0,0,0,0|1,0,1]=3 1958 B10R0.98 CC(=O)CCOC(C)C(=O)C 7a_100000759926_100000179758 [0,1,0,0,0,0|2,0,1]=4 1959 B10R0.98 CC(=O)CCOC(C)C(=O)N 34a_100000759926_100000702099 [0,1,0,0,0,0|2,0,1]=4 1960 B10R0.98 CC(=O)CCOC(C)C(=O)N 7a_100000759926_100000702099 [0,1,0,0,0,0|2,0,1]=4 1961 B10R0.98 CC(=O)CCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000053229 [0,1,0,0,0,0|1,0,2]=4 1962 B10R0.98 CC(=O)CCO[C@H](C)C(=O)N 7a_100000731257_100000053229 [0,1,0,0,0,0|2,0,1]=4 1963 B10R0.98 CC(=O)CCSC(C)C(=O)C 62a_100000053229_100009814033 [0,1,0,0,0,0|2,0,1]=4 1964 B10R0.98 CC(=O)CCSC(C)C(=O)C 62a_100009814033_100000053229 [0,1,0,0,0,0|2,0,1]=4 1965 B10R0.98 CC(=O)CCSC(C)C(=O)N 62a_100000053229_100000702099 [0,1,0,0,0,0|2,0,1]=4 1966 B10R0.98 CC(=O)CCSC(C)C(=O)N 62a_100000702099_100000053229 [0,1,0,0,0,0|2,0,1]=4 1967 B10R0.98 CC(=O)N(C)CCCN(C)C 240690a_100000225831_100015343762 [0,1,0,0,0,0|3,0,0]=4 1968 B10R0.98 CC(=O)OCN[C@@H](C)C(=O)O 269956a_100000743915_100000076356 [0,1,0,0,0,0|2,0,1]=4 1969 B10R0.98 CC(Br)CCOC(C)C(=O)N 34a_100009893172_100000702099 [0,1,0,0,0,0|2,0,0]=3 1970 B10R0.98 CC(Br)CCOC(F)C(=O)N 34a_100009893172_100009813875 [0,1,0,0,0,0|3,0,0]=4 1971 B10R0.98 CC(Br)CCOC(F)C(=O)[O-] 34a_100009893172_100020610796 [0,1,0,0,0,0|2,0,1]=4 1972 B10R0.98 CC(C)CCCC(C)N(C)C 270004a_100102631434_100000753411 [0,1,0,0,0,0|3,0,0]=4 1973 B10R0.98 CC(C)CCN[C@@H](C)C(=O)O 269956a_100000743915_100000210312 [0,1,0,0,0,0|1,0,0]=2 1974 B10R0.98 CC(C)CCN[C@H](C)C(=O)N 2230a_100000119354_100000210312 [0,1,0,0,0,0|2,0,0]=3 1975 B10R0.98 CC(C)CCN[C@H](C)C(=O)N 34a_100000119354_100000210312 [0,1,0,0,0,0|2,0,0]=3 1976 B10R0.98 CC(C)CCOC(C)C(=O)N 34a_100000210254_100000702099 [0,1,0,0,0,0|2,0,0]=3 1977 B10R0.98 CC(C)CCOC(C)C(=O)N 7a_100000210254_100000702099 [0,1,0,0,0,0|2,0,0]=3 1978 B10R0.98 CC(C)CCOC(F)C(=O)N 34a_100000210254_100009813875 [0,1,0,0,0,0|3,0,0]=4 1979 B10R0.98 CC(C)CCOC(F)C(=O)N 7a_100000210254_100009813875 [0,1,0,0,0,0|3,0,0]=4 1980 B10R0.98 CC(C)CCOC(F)C(=O)[O-] 34a_100000210254_100020610796 [0,1,0,0,0,0|2,0,1]=4 1981 B10R0.98 CC(C)CCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210626 [0,1,0,0,0,0|1,0,1]=3 1982 B10R0.98 CC(C)CCO[C@H](C)C(=O)N 34a_100000731257_100000210312 [0,1,0,0,0,0|2,0,0]=3 1983 B10R0.98 CC(C)CCO[C@H](C)C(=O)N 7a_100000731257_100000210626 [0,1,0,0,0,0|2,0,0]=3 1984 B10R0.98 CC(C)CCSC(C)C(=O)N 62a_100000210312_100000702099 [0,1,0,0,0,0|2,0,0]=3 1985 B10R0.98 CC(C)CCSC(C)C(=O)N 62a_100000702099_100000210312 [0,1,0,0,0,0|2,0,0]=3 1986 B10R0.98 CC(C)CCSC(F)C(=O)N 62a_100000210312_100009813875 [0,1,0,0,0,0|3,0,0]=4 1987 B10R0.98 CC(C)CCSC(F)C(=O)N 62a_100009813875_100000210312 [0,1,0,0,0,0|3,0,0]=4 1988 B10R0.98 CC(C)CCSC(F)C(=O)[O-] 62a_100000210312_100020610796 [0,1,0,0,0,0|2,0,1]=4 1989 B10R0.98 CC(C)CCSC(F)C(=O)[O-] 62a_100020610796_100000210312 [0,1,0,0,0,0|2,0,1]=4 1990 B10R0.98 CC(C)CNCC(C)C(=O)O 269956a_100000749485_100000210760 [0,1,0,0,0,0|1,0,0]=2 1991 B10R0.98 CC(C)CNCC(F)C(=O)O 269956a_100000084737_100000210760 [0,1,0,0,0,0|2,0,0]=3 1992 B10R0.98 CC(C)COCC(C)[N+](=O)[O-] 34a_100000039676_100000210624 [0,1,0,0,0,0|2,0,1]=4 1993 B10R0.98 CC(C)COCC(C)[N+](=O)[O-] 7a_100000039676_100000210760 [0,1,0,0,0,0|2,0,1]=4 1994 B10R0.98 CC(C)COC[C@H](N)C(=O)N 34a_100000729942_100000210624 [0,1,0,0,0,0|3,0,0]=4 1995 B10R0.98 CC(C)OCN[C@@H](C)C(=O)O 269956a_100000743915_100000709892 [0,1,0,0,0,0|2,0,0]=3 1996 B10R0.98 CC(C)OCN[C@H](C)C(=O)N 2230a_100000119354_100000709892 [0,1,0,0,0,0|3,0,0]=4 1997 B10R0.98 CC(C)OCN[C@H](C)C(=O)N 34a_100000119354_100000709892 [0,1,0,0,0,0|3,0,0]=4 1998 B10R0.98 CC(C)OCO[C@H](C)C(=O)N 34a_100000731257_100000709892 [0,1,0,0,0,0|3,0,0]=4 1999 B10R0.98 CC(C)OCSC(C)C(=O)N 62a_100000702099_100000709892 [0,1,0,0,0,0|3,0,0]=4 2000 B10R0.98 CC(C)OCSC(C)C(=O)N 62a_100000709892_100000702099 [0,1,0,0,0,0|3,0,0]=4 2001 B10R0.98 CC(CNCC(=O)N)C(=O)O 269956a_100000749485_100000187820 [0,1,0,0,0,0|2,0,1]=4 2002 B10R0.98 CC(CNCC(=O)[O-])C(=O)O 269956a_100000749485_100020667443 [0,1,0,0,0,0|2,0,1]=4 2003 B10R0.98 CC(CNCC(F)F)C(=O)O 269956a_100000749485_100011934356 [0,1,0,0,0,0|2,0,0]=3 2004 B10R0.98 CC(CNC[C@@H](C)O)C(=O)O 269956a_100000749485_100009817552 [0,1,0,0,0,0|1,0,0]=2 2005 B10R0.98 CC(CNC[N+](=O)[O-])C(=O)O 269956a_100000749485_100000761209 [0,1,0,0,0,0|3,0,0]=4 2006 B10R0.98 CC(COC[C@@H](C)O)[N+](=O)[O-] 34a_100000039676_100009817552 [0,1,0,0,0,0|2,0,1]=4 2007 B10R0.98 CC(COC[C@@H](C)O)[N+](=O)[O-] 7a_100000039676_100009817552 [0,1,0,0,0,0|2,0,1]=4 2008 B10R0.98 CC(O)CCNC(C)C(=O)N 2230a_200000755665_100000702099 [0,1,0,0,0,0|2,0,0]=3 2009 B10R0.98 CC(O)CCNC(F)C(=O)N 2230a_200000755665_100009813875 [0,1,0,0,0,0|3,0,0]=4 2010 B10R0.98 CC(O)CCN[C@@H](C)C(=O)O 269956a_100000743915_100012276601 [0,1,0,0,0,0|1,0,0]=2 2011 B10R0.98 CC(O)CCN[C@H](C)C(=O)N 2230a_100000119354_100012276601 [0,1,0,0,0,0|2,0,0]=3 2012 B10R0.98 CC(O)CCN[C@H](C)C(=O)N 34a_100000119354_100012276601 [0,1,0,0,0,0|2,0,0]=3 2013 B10R0.98 CC(O)CCO[C@@H](C)C(=O)[O-] 7a_217856618621_100012276601 [0,1,0,0,0,0|1,0,1]=3 2014 B10R0.98 CC(O)CCO[C@H](C)C(=O)N 34a_100000731257_100012276601 [0,1,0,0,0,0|2,0,0]=3 2015 B10R0.98 CC(O)CCO[C@H](C)C(=O)N 7a_100000731257_100012276601 [0,1,0,0,0,0|2,0,0]=3 2016 B10R0.98 CC(O)CCSC(C)C(=O)N 62a_100000702099_100012276601 [0,1,0,0,0,0|2,0,0]=3 2017 B10R0.98 CC(O)CCSC(C)C(=O)N 62a_100012276601_100000702099 [0,1,0,0,0,0|2,0,0]=3 2018 B10R0.98 CC(O)CCSC(F)C(=O)N 62a_100009813875_100012276601 [0,1,0,0,0,0|3,0,0]=4 2019 B10R0.98 CC(O)CCSC(F)C(=O)N 62a_100012276601_100009813875 [0,1,0,0,0,0|3,0,0]=4 2020 B10R0.98 CC(O)CCSC(F)C(=O)[O-] 62a_100012276601_100020610796 [0,1,0,0,0,0|2,0,1]=4 2021 B10R0.98 CC(O)CCSC(F)C(=O)[O-] 62a_100020610796_100012276601 [0,1,0,0,0,0|2,0,1]=4 2022 B10R0.98 CC(O)CNCC(C)C(=O)O 269956a_100000749485_100011218427 [0,1,0,0,0,0|1,0,0]=2 2023 B10R0.98 CC(O)CNCC(F)C(=O)O 269956a_100000084737_100011218427 [0,1,0,0,0,0|2,0,0]=3 2024 B10R0.98 CC(O)COCC(C)[N+](=O)[O-] 34a_100000039676_100011218427 [0,1,0,0,0,0|2,0,1]=4 2025 B10R0.98 CC(O)COCC(C)[N+](=O)[O-] 7a_100000039676_100011218427 [0,1,0,0,0,0|2,0,1]=4 2026 B10R0.98 CC(O)COC[C@H](N)C(=O)N 34a_100000729942_100011218427 [0,1,0,0,0,0|3,0,0]=4 2027 B10R0.98 CC(OCCC(F)F)C(=O)N 34a_100103093639_100000702099 [0,1,0,0,0,0|3,0,0]=4 2028 B10R0.98 CC(OCC[C@@H](C)N)C(=O)N 34a_100000706166_100000702099 [0,1,0,0,0,0|2,0,0]=3 2029 B10R0.98 CC(SCCN(C)C)C(=O)N 62a_100000702099_100000755713 [0,1,0,0,0,0|3,0,0]=4 2030 B10R0.98 C[C@@H](N)CCOC(F)C(=O)N 34a_100000706166_100009813875 [0,1,0,0,0,0|3,0,0]=4 2031 B10R0.98 C[C@@H](N)CCOC(F)C(=O)[O-] 34a_100000706166_100020610796 [0,1,0,0,0,0|2,0,1]=4 2032 B10R0.98 C[C@@H](O)CNCC(F)C(=O)O 269956a_100000084737_100009817552 [0,1,0,0,0,0|2,0,0]=3 2033 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 2034 B10R0.98 C[C@@H](OCCN(C)C)C(=O)N 7a_100000731257_100000755713 [0,1,0,0,0,0|3,0,0]=4 2035 B10R0.98 C[C@H](NCCC(=O)N)C(=O)O 269956a_100000743915_100000744528 [0,1,0,0,0,0|2,0,1]=4 2036 B10R0.98 C[C@H](NCCN(C)C)C(=O)O 269956a_100000743915_100000755713 [0,1,0,0,0,0|2,0,0]=3 2037 B10R0.98 C[C@H](OCCN(C)C)C(=O)[O-] 7a_217856618621_100000755713 [0,1,0,0,0,0|2,0,1]=4 2038 B10R0.98 O=C(O)C(F)CNCC(F)F 269956a_100000084737_100011934356 [0,1,0,0,0,0|3,0,0]=4 2039 B10R1.23 CC(=O)C(C)N1CCCC1 1458a_100025750167_200000210301 [0,0,0,1,0,0|2,0,0]=3 2040 B10R1.23 CC(=O)C(C)N1CCCC1 2230a_100000188435_100009814033 [0,0,0,1,0,0|2,0,0]=3 2041 B10R1.23 CC(=O)C(C)N1CCCC1 269982a_100000188435_100009814033 [0,0,0,1,0,0|2,0,0]=3 2042 B10R1.23 CC(=O)C(C)N1CCSC1 2230a_100011215254_100009814033 [0,0,0,1,0,0|3,0,0]=4 2043 B10R1.23 CC(=O)C(C)N1CCSC1 269982a_100011215254_100009814033 [0,0,0,1,0,0|3,0,0]=4 2044 B10R1.23 CC(=O)N(C)C1CCCC1 11a_100000207505_100015343762 [0,0,0,1,0,0|2,0,0]=3 2045 B10R1.23 CC(=O)N(C)C1CCCC1 1626a_100000207505_100015343762 [0,0,0,1,0,0|2,0,0]=3 2046 B10R1.23 CC(=O)N(C)C1CCCC1 240690a_100000207505_100015343762 [0,0,0,1,0,0|2,0,0]=3 2047 B10R1.23 CC(=O)N(C)C1CCCC1 527a_100000207505_100103153847 [0,0,0,1,0,0|2,0,0]=3 2048 B10R1.23 CC(=O)N(C)C1CCOC1 11a_100016988252_100015343762 [0,0,0,1,0,0|3,0,0]=4 2049 B10R1.23 CC(=O)N(C)C1CCOC1 1626a_100016988252_100015343762 [0,0,0,1,0,0|3,0,0]=4 2050 B10R1.23 CC(=O)N(C)C1CCOC1 240690a_100016988252_100015343762 [0,0,0,1,0,0|3,0,0]=4 2051 B10R1.23 CC(=O)N(C)C1CCOC1 527a_100016988252_100103153847 [0,0,0,1,0,0|3,0,0]=4 2052 B10R1.23 CC(C(=O)N)N1CCCC1 2230a_100000188435_100000702099 [0,0,0,1,0,0|2,0,0]=3 2053 B10R1.23 CC(C(=O)N)N1CCCC1 269982a_100000188435_100000184083 [0,0,0,1,0,0|2,0,0]=3 2054 B10R1.23 CC(C(=O)N)N1CCSC1 2230a_100011215254_100000702099 [0,0,0,1,0,0|3,0,0]=4 2055 B10R1.23 CC(C(=O)N)N1CCSC1 269982a_100011215254_100000184083 [0,0,0,1,0,0|3,0,0]=4 2056 B10R1.23 CC(C(=O)[13CH3])N1CCCC1 1458a_100025750167_200025704644 [0,0,0,1,0,0|2,0,0]=3 2057 B10R1.23 CC(C1CCCC1)N(C)C 2230a_106630658171_200000210301 [0,0,0,1,0,0|3,0,0]=4 2058 B10R1.23 CC(C1CCCC1)N(C)C 269982a_106630658171_200000210301 [0,0,0,1,0,0|3,0,0]=4 2059 B10R1.23 CC(C1CCCC1)N(C)C 270004a_100102631434_100000749594 [0,0,0,1,0,0|3,0,0]=4 2060 B10R1.23 CC(C1CCCC1)N(C)C 34a_106630658171_200000210301 [0,0,0,1,0,0|3,0,0]=4 2061 B10R1.23 CC(C1CCCC1)N(C)[13CH3] 2230a_106630658171_200025704644 [0,0,0,1,0,0|3,0,0]=4 2062 B10R1.23 CC(C1CCCC1)N(C)[13CH3] 269982a_106630658171_200025704644 [0,0,0,1,0,0|3,0,0]=4 2063 B10R1.23 CC(C1CCCC1)N(C)[13CH3] 34a_106630658171_200025704644 [0,0,0,1,0,0|3,0,0]=4 2064 B10R1.23 NC(=O)C(F)N1CCCC1 2230a_100000188435_100009813875 [0,0,0,1,0,0|3,0,0]=4 2065 B10R1.23 NC(=O)C(F)N1CCCC1 269982a_100000188435_100009813875 [0,0,0,1,0,0|3,0,0]=4 2066 B10R1.31 CC(=O)N1CCC(C1)CO 240690a_100000748654_100015343762 [0,0,0,1,0,0|3,0,0]=4 2067 B10R1.31 CC(=O)N1CCC(C1)CO 527a_100000748654_100103153847 [0,0,0,1,0,0|3,0,0]=4 2068 B10R1.31 CC(=O)N1CCC(C1)N[13CH3] 2230a_100000705975_200025704644 [0,0,0,1,0,0|3,0,0]=4 2069 B10R1.31 CC(=O)N1CC[C@@H](C1)O[13CH3] 7a_100012000934_200025704644 [0,0,0,1,0,0|3,0,0]=4 2070 B10R1.31 CCC1CCC(C1)N(C)C 270004a_100102631434_100011218773 [0,0,0,1,0,0|3,0,0]=4 2071 B10R1.31 CCN1CCC(C1)C(=O)C 1458a_100103286618_200000210301 [0,0,0,1,0,0|2,0,0]=3 2072 B10R1.31 CCN1CCC(C1)C(=O)N 2230a_100000752358_100000210202 [0,0,0,1,0,0|2,0,0]=3 2073 B10R1.31 CCN1CCC(C1)C(=O)N 269982a_100000752358_100000204670 [0,0,0,1,0,0|2,0,0]=3 2074 B10R1.31 CCN1CCC(C1)C(=O)N 34a_100000752358_100000210202 [0,0,0,1,0,0|2,0,0]=3 2075 B10R1.31 CCN1CCC(C1)C(=O)[13CH3] 1458a_100103286618_200025704644 [0,0,0,1,0,0|2,0,0]=3 2076 B10R1.31 CNC1CCN(C1)C(=O)C 2230a_100000705975_200000210301 [0,0,0,1,0,0|3,0,0]=4 2077 B10R1.31 CN[C@@H]1C=C[C@@H](C1)C(=O)O 269956a_100016988855_200000210301 [0,0,0,1,0,0|1,0,2]=4 2078 B10R1.31 CN[C@H]1CC[C@H](C1)C(=O)O 269956a_100015195206_200000210301 [0,0,0,1,0,0|1,0,0]=2 2079 B10R1.31 CO[C@@H]1CCN(C1)C(=O)C 11a_100000766984_100015343762 [0,0,0,1,0,0|3,0,0]=4 2080 B10R1.31 CO[C@@H]1CCN(C1)C(=O)C 1626a_100000766984_100015343762 [0,0,0,1,0,0|3,0,0]=4 2081 B10R1.31 CO[C@@H]1CCN(C1)C(=O)C 240690a_100000766984_100015343762 [0,0,0,1,0,0|3,0,0]=4 2082 B10R1.31 CO[C@@H]1CCN(C1)C(=O)C 527a_100000766984_100103153847 [0,0,0,1,0,0|3,0,0]=4 2083 B10R1.31 CO[C@H]1CCN(C1)C(=O)C 7a_100012000934_200000210301 [0,0,0,1,0,0|3,0,0]=4 2084 B10R1.31 NC(=O)C1CCN(C1)CF 269982a_100000752358_100015361967 [0,0,0,1,0,0|3,0,0]=4 2085 B10R1.31 NC(=O)C1CCN(C1)CF 34a_100000752358_100015361967 [0,0,0,1,0,0|3,0,0]=4 2086 B10R1.31 [13CH3]N[C@@H]1C=C[C@@H](C1)C(=O)O 269956a_100016988855_200025704644 [0,0,0,1,0,0|1,0,2]=4 2087 B10R1.31 [13CH3]N[C@H]1CC[C@H](C1)C(=O)O 269956a_100015195206_200025704644 [0,0,0,1,0,0|1,0,0]=2 2088 B10R1.37 CCCCNC1CCC1=O 7a_106832991798_100009892977 [0,0,0,1,0,0|2,0,0]=3 2089 B10R1.37 CCCCOC1CCC1=O 34a_100000210227_100009892977 [0,0,0,1,0,0|2,0,0]=3 2090 B10R1.37 CCCCOC1CCC1=O 7a_100000210227_100009892977 [0,0,0,1,0,0|2,0,0]=3 2091 B10R1.37 CCCCSC1CCC1=O 62a_100000210211_100009892977 [0,0,0,1,0,0|2,0,0]=3 2092 B10R1.37 CCCCSC1CCC1=O 62a_100009892977_100000210210 [0,0,0,1,0,0|2,0,0]=3 2093 B10R1.37 CCNCCC1CCC1=O 2230a_100015525214_200016118888 [0,0,0,1,0,0|2,0,0]=3 2094 B10R1.37 CCOCSC1CCC1=O 62a_100000739092_100009892977 [0,0,0,1,0,0|3,0,0]=4 2095 B10R1.37 CCOCSC1CCC1=O 62a_100009892977_100000739092 [0,0,0,1,0,0|3,0,0]=4 2096 B10R1.37 CCSCCC1CCC1=O 62a_100000210202_200016118888 [0,0,0,1,0,0|2,0,0]=3 2097 B10R1.37 CCSCCC1CCC1=O 62a_200016118888_100000210202 [0,0,0,1,0,0|2,0,0]=3 2098 B10R1.37 COCCOC1CCC1=O 34a_100000210237_100009892977 [0,0,0,1,0,0|3,0,0]=4 2099 B10R1.37 COCCSC1CCC1=O 62a_100000233755_100009892977 [0,0,0,1,0,0|3,0,0]=4 2100 B10R1.37 COCCSC1CCC1=O 62a_100009892977_100000233755 [0,0,0,1,0,0|3,0,0]=4 2101 B10R1.37 CSCCOC1CCC1=O 34a_100000230434_100009892977 [0,0,0,1,0,0|3,0,0]=4 2102 B10R1.37 CSCCOC1CCC1=O 7a_100000230434_100009892977 [0,0,0,1,0,0|3,0,0]=4 2103 B10R1.37 CSCCSC1CCC1=O 62a_100000212216_100009892977 [0,0,0,1,0,0|3,0,0]=4 2104 B10R1.37 CSCCSC1CCC1=O 62a_100009892977_100000751147 [0,0,0,1,0,0|3,0,0]=4 2105 B10R1.37 NCCCOC1CCC1=O 34a_100000182051_100009892977 [0,0,0,1,0,0|3,0,0]=4 2106 B10R1.37 O=C1CCC1CCSCF 62a_100015361967_200016118888 [0,0,0,1,0,0|3,0,0]=4 2107 B10R1.37 O=C1CCC1CCSCF 62a_200016118888_100015361967 [0,0,0,1,0,0|3,0,0]=4 2108 B10R1.37 O=C1CCC1NCCCF 34a_100015189416_100009892977 [0,0,0,1,0,0|3,0,0]=4 2109 B10R1.37 O=C1CCC1OCCCBr 34a_100011217188_100009892977 [0,0,0,1,0,0|3,0,0]=4 2110 B10R1.37 O=C1CCC1OCCCCl 34a_100000230001_100009892977 [0,0,0,1,0,0|3,0,0]=4 2111 B10R1.37 O=C1CCC1OCCCF 34a_100000759539_100009892977 [0,0,0,1,0,0|3,0,0]=4 2112 B10R1.37 O=C1CCC1SCCCF 62a_100009892977_100011934791 [0,0,0,1,0,0|3,0,0]=4 2113 B10R1.37 O=C1CCC1SCCCF 62a_100011934791_100009892977 [0,0,0,1,0,0|3,0,0]=4 2114 B10R1.37 O=C1CCC1SCCCO 62a_100009892977_100011215043 [0,0,0,1,0,0|3,0,0]=4 2115 B10R1.37 O=C1CCC1SCCCO 62a_100011215043_100009892977 [0,0,0,1,0,0|3,0,0]=4 2116 B10R1.93 CCCN1CC(C1)C(=O)N 34a_100025753142_100000210303 [0,0,0,1,0,0|2,0,0]=3 2117 B10R1.93 CCNC1CN(C1)C(=O)C 2230a_100102955437_100000210202 [0,0,0,1,0,0|3,0,0]=4 2118 B10R1.93 CCN[C@H]1C[C@H](C1)C(=O)O 269956a_100000738708_100000210202 [0,0,0,1,0,0|1,0,0]=2 2119 B10R1.93 CCOC1CN(C1)C(=O)C 11a_100000732654_100015343762 [0,0,0,1,0,0|3,0,0]=4 2120 B10R1.93 CCOC1CN(C1)C(=O)C 1626a_100000732654_100015343762 [0,0,0,1,0,0|3,0,0]=4 2121 B10R1.93 CCOC1CN(C1)C(=O)C 240690a_100000732654_100015343762 [0,0,0,1,0,0|3,0,0]=4 2122 B10R1.93 CCOC1CN(C1)C(=O)C 527a_100000732654_100103153847 [0,0,0,1,0,0|3,0,0]=4 2123 B10R1.93 COCC1CC(C1)C(=O)C 1458a_100000138301_200000210301 [0,0,0,1,0,0|2,0,0]=3 2124 B10R1.93 COCC1CC(C1)C(=O)[13CH3] 1458a_100000138301_200025704644 [0,0,0,1,0,0|2,0,0]=3 2125 B10R1.93 COCC1CN(C1)C(=O)C 11a_100016993750_100015343762 [0,0,0,1,0,0|3,0,0]=4 2126 B10R1.93 COCC1CN(C1)C(=O)C 240690a_100016993750_100015343762 [0,0,0,1,0,0|3,0,0]=4 2127 B10R1.93 COCC1CN(C1)C(=O)C 527a_100016993750_100103153847 [0,0,0,1,0,0|3,0,0]=4 2128 B10R1.93 CSCN1CC(C1)C(=O)N 34a_100025753142_100011218213 [0,0,0,1,0,0|3,0,0]=4 2129 B10R1.93 NC(=O)C1CN(C1)CCF 34a_100025753142_100011217306 [0,0,0,1,0,0|3,0,0]=4 2130 B10R1.93 NC(=O)C1CN(C1)CCO 34a_100025753142_100000211926 [0,0,0,1,0,0|3,0,0]=4 2131 B10R1.93 O=C(O)[C@H]1C[C@H](C1)NCF 269956a_100000738708_100015361967 [0,0,0,1,0,0|2,0,0]=3 2132 B10R1.113 CC(=O)C1CCCC(C1)C 1458a_100011215569_200000210301 [0,0,0,1,0,0|1,0,0]=2 2133 B10R1.113 CC(=O)C1CCCC(C1)O 1458a_100000707227_200000210301 [0,0,0,1,0,0|2,0,0]=3 2134 B10R1.113 CC(=O)C1CCCN(C1)C 1458a_100015257587_200000210301 [0,0,0,1,0,0|2,0,0]=3 2135 B10R1.113 CC(=O)C1CN(CCO1)C 1458a_100011543126_200000210301 [0,0,0,1,0,0|3,0,0]=4 2136 B10R1.113 CC(=O)N1CCCC(C1)F 11a_100000697950_100015343762 [0,0,0,1,0,0|3,0,0]=4 2137 B10R1.113 CC(=O)N1CCCC(C1)F 1626a_100000697950_100015343762 [0,0,0,1,0,0|3,0,0]=4 2138 B10R1.113 CC(=O)N1CCCC(C1)F 240690a_100000697950_100015343762 [0,0,0,1,0,0|3,0,0]=4 2139 B10R1.113 CC(=O)N1CCCC(C1)F 527a_100000697950_100103153847 [0,0,0,1,0,0|3,0,0]=4 2140 B10R1.113 CC(=O)N1CCCC(C1)O 240690a_100000211013_100015343762 [0,0,0,1,0,0|3,0,0]=4 2141 B10R1.113 CC(=O)N1CCCC(C1)O 527a_100000211013_100103153847 [0,0,0,1,0,0|3,0,0]=4 2142 B10R1.113 CC(=O)N1CCC[C@@H](C1)C 11a_100000717927_100015343762 [0,0,0,1,0,0|2,0,0]=3 2143 B10R1.113 CC(=O)N1CCC[C@@H](C1)C 240690a_100000717927_100015343762 [0,0,0,1,0,0|2,0,0]=3 2144 B10R1.113 CC(=O)N1CCC[C@@H](C1)C 527a_100000717927_100103153847 [0,0,0,1,0,0|2,0,0]=3 2145 B10R1.113 CC(=O)N1CCOC(C1)C 11a_100000729577_100015343762 [0,0,0,1,0,0|3,0,0]=4 2146 B10R1.113 CC(=O)N1CCOC(C1)C 1626a_100000729577_100015343762 [0,0,0,1,0,0|3,0,0]=4 2147 B10R1.113 CC(=O)N1CCOC(C1)C 240690a_100000729577_100015343762 [0,0,0,1,0,0|3,0,0]=4 2148 B10R1.113 CC(=O)N1CCOC(C1)C 527a_100000729577_100103153847 [0,0,0,1,0,0|3,0,0]=4 2149 B10R1.113 CC(O)C1CCCN(C1)C 2230a_100000740858_200000210301 [0,0,0,1,0,0|2,0,1]=4 2150 B10R1.113 CC(O)C1CCCN(C1)C 269982a_100000740858_200000210301 [0,0,0,1,0,0|2,0,1]=4 2151 B10R1.113 CC(O)C1CCCN(C1)C 34a_100000740858_200000210301 [0,0,0,1,0,0|2,0,1]=4 2152 B10R1.113 CC(O)C1CCCN(C1)[13CH3] 2230a_100000740858_200025704644 [0,0,0,1,0,0|2,0,1]=4 2153 B10R1.113 CC(O)C1CCCN(C1)[13CH3] 269982a_100000740858_200025704644 [0,0,0,1,0,0|2,0,1]=4 2154 B10R1.113 CC(O)C1CCCN(C1)[13CH3] 34a_100000740858_200025704644 [0,0,0,1,0,0|2,0,1]=4 2155 B10R1.113 CC1CCCC(C1)C(=O)[13CH3] 1458a_100011215569_200025704644 [0,0,0,1,0,0|1,0,0]=2 2156 B10R1.113 CC1CCCC(C1)N(C)C 270004a_100102631434_100000183594 [0,0,0,1,0,0|3,0,0]=4 2157 B10R1.113 CN1CCCC(C1)C(=O)N 2230a_100000195536_200000210301 [0,0,0,1,0,0|2,0,0]=3 2158 B10R1.113 CN1CCCC(C1)C(=O)N 269982a_100000195536_200000210301 [0,0,0,1,0,0|2,0,0]=3 2159 B10R1.113 CN1CCCC(C1)C(=O)N 34a_100000195536_200000210301 [0,0,0,1,0,0|2,0,0]=3 2160 B10R1.113 CN1CCCC(C1)C(=O)[13CH3] 1458a_100015257587_200025704644 [0,0,0,1,0,0|2,0,0]=3 2161 B10R1.113 CN1CCOC(C1)C(=O)N 2230a_100000748043_200000210301 [0,0,0,1,0,0|3,0,0]=4 2162 B10R1.113 CN1CCOC(C1)C(=O)N 34a_100000748043_200000210301 [0,0,0,1,0,0|3,0,0]=4 2163 B10R1.113 CN1CCOC(C1)C(=O)[13CH3] 1458a_100011543126_200025704644 [0,0,0,1,0,0|3,0,0]=4 2164 B10R1.113 [13CH3]C(=O)C1CCCC(C1)O 1458a_100000707227_200025704644 [0,0,0,1,0,0|2,0,0]=3 2165 B10R1.113 [13CH3]N1CCCC(C1)C(=O)N 2230a_100000195536_200025704644 [0,0,0,1,0,0|2,0,0]=3 2166 B10R1.113 [13CH3]N1CCCC(C1)C(=O)N 269982a_100000195536_200025704644 [0,0,0,1,0,0|2,0,0]=3 2167 B10R1.113 [13CH3]N1CCCC(C1)C(=O)N 34a_100000195536_200025704644 [0,0,0,1,0,0|2,0,0]=3 2168 B10R1.113 [13CH3]N1CCOC(C1)C(=O)N 2230a_100000748043_200025704644 [0,0,0,1,0,0|3,0,0]=4 2169 B10R1.113 [13CH3]N1CCOC(C1)C(=O)N 34a_100000748043_200025704644 [0,0,0,1,0,0|3,0,0]=4 2170 B10R1.116 CC(=O)C(C)N1CCC1C 269982a_100000755817_100009814033 [0,0,0,1,0,0|2,0,0]=3 2171 B10R1.116 CC1CCN1C(C)C(=O)N 269982a_100000755817_100000184083 [0,0,0,1,0,0|2,0,0]=3 2172 B10R1.116 CC1CCN1C(C)C(=O)N 34a_100000755817_100000702099 [0,0,0,1,0,0|2,0,0]=3 2173 B10R1.116 CC1CCN1C(F)C(=O)N 269982a_100000755817_100009813875 [0,0,0,1,0,0|3,0,0]=4 2174 B10R1.116 CC1CCN1C(F)C(=O)N 34a_100000755817_100009813875 [0,0,0,1,0,0|3,0,0]=4 2175 B10R1.116 CC1CCN1C(F)C(=O)[O-] 34a_100000755817_100020610796 [0,0,0,1,0,0|2,0,1]=4 2176 B10R1.131 CCCN1C[C@H]([C@H](C1)O)C 2230a_200015306588_100000210303 [0,0,0,1,0,0|2,0,1]=4 2177 B10R1.131 CCCN1C[C@H]([C@H](C1)O)C 269982a_200015306588_100000210303 [0,0,0,1,0,0|2,0,1]=4 2178 B10R1.131 CCNC1C=C(C(=O)O1)C 2230a_100015525214_200009893386 [0,0,0,1,0,0|1,0,2]=4 2179 B10R1.131 CCNC1CC(=O)N(C1)C 2230a_100000748898_100000210202 [0,0,0,1,0,0|3,0,0]=4 2180 B10R1.131 CCNC1CC(=O)N(C1)C 34a_100000748898_100000210202 [0,0,0,1,0,0|3,0,0]=4 2181 B10R1.131 CCSC1C=C(C(=O)O1)C 62a_100000210202_200009893386 [0,0,0,1,0,0|1,0,2]=4 2182 B10R1.131 CCSC1C=C(C(=O)O1)C 62a_200009893386_100000210202 [0,0,0,1,0,0|1,0,2]=4 2183 B10R1.131 CN1CC(CC1=O)CO[13CH3] 34a_100015185614_200025704644 [0,0,0,1,0,0|3,0,0]=4 2184 B10R1.131 COCC1CC(=O)N(C1)C 34a_100015185614_200000210301 [0,0,0,1,0,0|3,0,0]=4 2185 B10R1.176 CCC1CCC(N(C1)C)C 2230a_100011219223_200000210301 [0,0,0,1,0,0|3,0,0]=4 2186 B10R1.176 CCC1CCC(N(C1)C)C 269982a_100011219223_200000210301 [0,0,0,1,0,0|3,0,0]=4 2187 B10R1.176 CCC1CCC(N(C1)C)C 34a_100011219223_200000210301 [0,0,0,1,0,0|3,0,0]=4 2188 B10R1.176 CCC1CCC(N(C1)[13CH3])C 2230a_100011219223_200025704644 [0,0,0,1,0,0|3,0,0]=4 2189 B10R1.176 CCC1CCC(N(C1)[13CH3])C 269982a_100011219223_200025704644 [0,0,0,1,0,0|3,0,0]=4 2190 B10R1.176 CCC1CCC(N(C1)[13CH3])C 34a_100011219223_200025704644 [0,0,0,1,0,0|3,0,0]=4 2191 B10R1.176 CCN1CCC(C(C1)O)C 2230a_100000696640_100000210202 [0,0,0,1,0,0|2,0,1]=4 2192 B10R1.176 CCN1CCC(C(C1)O)C 269982a_100000696640_100000204670 [0,0,0,1,0,0|2,0,1]=4 2193 B10R1.176 CCN1CCN(C(=O)C1)C 2230a_100000187256_100000210202 [0,0,0,1,0,0|3,0,0]=4 2194 B10R1.176 CCN1CCN(C(=O)C1)C 269982a_100000187256_100000204670 [0,0,0,1,0,0|3,0,0]=4 2195 B10R1.176 CN1CCC(CC1=O)N[13CH3] 2230a_100000126938_200025704644 [0,0,0,1,0,0|3,0,0]=4 2196 B10R1.176 CN1CCC(CC1=O)N[13CH3] 34a_100000126938_200025704644 [0,0,0,1,0,0|3,0,0]=4 2197 B10R1.176 CNC1CCN(C(=O)C1)C 2230a_100000126938_200000210301 [0,0,0,1,0,0|3,0,0]=4 2198 B10R1.176 CNC1CCN(C(=O)C1)C 34a_100000126938_200000210301 [0,0,0,1,0,0|3,0,0]=4 2199 B10R1.186 CCCCNC(C)C1CO1 270004a_100000102301_100000031964 [0,0,0,1,0,0|2,0,1]=4 2200 B10R1.190 CC(=O)C(C)N[C@@H]1C[C@@H]1F 2230a_100015190264_100009814033 [0,0,0,1,0,0|3,0,0]=4 2201 B10R1.190 CC(=O)C(C)N[C@@H]1C[C@H]1F 2230a_100025746932_100009814033 [0,0,0,1,0,0|3,0,0]=4 2202 B10R1.190 CC(N[C@@H]1C[C@@H]1F)C(=O)N 2230a_100015190264_100000702099 [0,0,0,1,0,0|3,0,0]=4 2203 B10R1.190 CC(N[C@@H]1C[C@H]1F)C(=O)N 2230a_100025746932_100000702099 [0,0,0,1,0,0|3,0,0]=4 2204 B10R1.190 CC(N[C@@H]1C[C@H]1F)C(=O)N 34a_100025746932_100000702099 [0,0,0,1,0,0|3,0,0]=4 2205 B10R1.204 C=C(C)C(C)NC1CCC1 269862a_100000749019_100011216138 [0,0,0,1,0,0|3,0,0]=4 2206 B10R1.204 CC(=O)C(C)NC1CCC1 2230a_100000749019_100009814033 [0,0,0,1,0,0|2,0,0]=3 2207 B10R1.204 CC(=O)C(C)NC1COC1 2230a_100016991112_100009814033 [0,0,0,1,0,0|3,0,0]=4 2208 B10R1.204 CC(=O)C(C)OC1CCC1 34a_100000212229_100000749161 [0,0,0,1,0,0|2,0,0]=3 2209 B10R1.204 CC(=O)C(C)OC1COC1 34a_100000212229_100009818527 [0,0,0,1,0,0|3,0,0]=4 2210 B10R1.204 CC(=O)C(C)OC1CSC1 7a_100000072292_100000179758 [0,0,0,1,0,0|3,0,0]=4 2211 B10R1.204 CC(=O)C(C)SC1CCC1 62a_100009814033_100000749161 [0,0,0,1,0,0|2,0,0]=3 2212 B10R1.204 CC(=O)C(C)SC1COC1 62a_100009814033_100009818527 [0,0,0,1,0,0|3,0,0]=4 2213 B10R1.204 CC(=O)N(C)CC1CCC1 11a_200000750244_100015343762 [0,0,0,1,0,0|2,0,0]=3 2214 B10R1.204 CC(=O)N(C)CC1CCC1 1626a_200000750244_100015343762 [0,0,0,1,0,0|2,0,0]=3 2215 B10R1.204 CC(=O)N(C)CC1CCC1 240690a_200000750244_100015343762 [0,0,0,1,0,0|2,0,0]=3 2216 B10R1.204 CC(=O)N(C)CC1CCC1 527a_200000750244_100103153847 [0,0,0,1,0,0|2,0,0]=3 2217 B10R1.204 CC(NC1CCC1)C(=O)N 2230a_100000749019_100000702099 [0,0,0,1,0,0|2,0,0]=3 2218 B10R1.204 CC(NC1CCC1)C(=O)N 34a_100000749019_100000702099 [0,0,0,1,0,0|2,0,0]=3 2219 B10R1.204 CC(NC1COC1)C(=O)N 2230a_100016991112_100000702099 [0,0,0,1,0,0|3,0,0]=4 2220 B10R1.204 CC(OC1CCC1)C(=O)N 34a_100000748187_100000702099 [0,0,0,1,0,0|2,0,0]=3 2221 B10R1.204 CC(OC1CSC1)C(=O)N 7a_100000072292_100000702099 [0,0,0,1,0,0|3,0,0]=4 2222 B10R1.204 CC(SC1CCC1)C(=O)N 62a_100000702099_100000749161 [0,0,0,1,0,0|2,0,0]=3 2223 B10R1.204 CC(SC1COC1)C(=O)N 62a_100000702099_100009818527 [0,0,0,1,0,0|3,0,0]=4 2224 B10R1.204 C[C@@H](NC1CCC1)C(=O)N 270004a_100000119354_100000241760 [0,0,0,1,0,0|2,0,0]=3 2225 B10R1.204 C[C@@H](NC1CCC1)C(=O)N 34a_100000119354_100000749161 [0,0,0,1,0,0|2,0,0]=3 2226 B10R1.204 C[C@@H](NC1COC1)C(=O)N 34a_100000119354_100009818527 [0,0,0,1,0,0|3,0,0]=4 2227 B10R1.204 C[C@@H](OC1CCC1)C(=O)N 34a_100000731257_100000749161 [0,0,0,1,0,0|2,0,0]=3 2228 B10R1.204 C[C@@H](OC1COC1)C(=O)N 34a_100000731257_100009818527 [0,0,0,1,0,0|3,0,0]=4 2229 B10R1.204 C[C@@H](OC1COC1)C(=O)N 7a_100000731257_100009818527 [0,0,0,1,0,0|3,0,0]=4 2230 B10R1.204 C[C@H](NC1CCC1)C(=O)O 269956a_100000743915_100000749161 [0,0,0,1,0,0|1,0,0]=2 2231 B10R1.204 C[C@H](NC1COC1)C(=O)O 269956a_100000743915_100009818527 [0,0,0,1,0,0|2,0,0]=3 2232 B10R1.204 C[C@H](OC1COC1)C(=O)[O-] 7a_217856618621_100009818527 [0,0,0,1,0,0|2,0,1]=4 2233 B10R1.204 NC(=O)C(F)NC1CCC1 2230a_100000749019_100009813875 [0,0,0,1,0,0|3,0,0]=4 2234 B10R1.204 NC(=O)C(F)NC1CCC1 34a_100000749019_100009813875 [0,0,0,1,0,0|3,0,0]=4 2235 B10R1.204 NC(=O)C(F)OC1CCC1 34a_100000748187_100009813875 [0,0,0,1,0,0|3,0,0]=4 2236 B10R1.204 NC(=O)C(F)SC1CCC1 62a_100009813875_100000749161 [0,0,0,1,0,0|3,0,0]=4 2237 B10R1.204 O=C([O-])C(F)NC1CCC1 34a_100000749019_100020610796 [0,0,0,1,0,0|2,0,1]=4 2238 B10R1.204 O=C([O-])C(F)OC1CCC1 34a_100000748187_100020610796 [0,0,0,1,0,0|2,0,1]=4 2239 B10R1.204 O=C([O-])C(F)SC1CCC1 62a_100020610796_100000749161 [0,0,0,1,0,0|2,0,1]=4 2240 B10R1.205 CC(=O)C(C)COC1CC1 34a_100000032740_100000211595 [0,0,0,1,0,0|2,0,0]=3 2241 B10R1.205 CC(=O)C(C)NCC1CC1 2230a_100000735609_100009814033 [0,0,0,1,0,0|2,0,0]=3 2242 B10R1.205 CC(=O)C(C)OCC1CC1 34a_100000212229_100000742324 [0,0,0,1,0,0|2,0,0]=3 2243 B10R1.205 CC(=O)C(C)OCC1CO1 34a_100000212229_102125554688 [0,0,0,1,0,0|3,0,0]=4 2244 B10R1.205 CC(=O)C(C)SCC1CC1 62a_100000756562_100009814033 [0,0,0,1,0,0|2,0,0]=3 2245 B10R1.205 CC(=O)C(C)SCC1CC1 62a_100009814033_100000742324 [0,0,0,1,0,0|2,0,0]=3 2246 B10R1.205 CC(=O)C(C)SCC1CO1 62a_100009814033_102125554688 [0,0,0,1,0,0|3,0,0]=4 2247 B10R1.205 CC(=O)C(C)SCC1CO1 62a_102125554688_100009814033 [0,0,0,1,0,0|3,0,0]=4 2248 B10R1.205 CC(=O)C(C)SCC1CS1 62a_100000031435_100009814033 [0,0,0,1,0,0|3,0,0]=4 2249 B10R1.205 CC(=O)C(C)SCC1CS1 62a_100009814033_100000031435 [0,0,0,1,0,0|3,0,0]=4 2250 B10R1.205 CC(=O)C(C)SC[C@@H]1CO1 62a_100000745022_100009814033 [0,0,0,1,0,0|3,0,0]=4 2251 B10R1.205 CC(=O)C(C)SC[C@@H]1CO1 62a_100009814033_100000745022 [0,0,0,1,0,0|3,0,0]=4 2252 B10R1.205 CC(CNC1CC1)C(=O)O 269956a_100000749485_100000211595 [0,0,0,1,0,0|1,0,0]=2 2253 B10R1.205 CC(COC1CC1)[N+](=O)[O-] 34a_100000039676_100000211595 [0,0,0,1,0,0|2,0,1]=4 2254 B10R1.205 CC(NCC1CC1)C(=O)N 2230a_100000735609_100000702099 [0,0,0,1,0,0|2,0,0]=3 2255 B10R1.205 CC(NCC1CC1)C(=O)N 34a_100000735609_100000702099 [0,0,0,1,0,0|2,0,0]=3 2256 B10R1.205 CC(OCC1CC1)C(=O)N 34a_100000211283_100000702099 [0,0,0,1,0,0|2,0,0]=3 2257 B10R1.205 CC(OC[C@@H]1CO1)C(=O)N 34a_100000757423_100000702099 [0,0,0,1,0,0|3,0,0]=4 2258 B10R1.205 CC(SCC1CC1)C(=O)N 62a_100000702099_100000742324 [0,0,0,1,0,0|2,0,0]=3 2259 B10R1.205 CC(SCC1CC1)C(=O)N 62a_100000756562_100000702099 [0,0,0,1,0,0|2,0,0]=3 2260 B10R1.205 CC(SCC1CO1)C(=O)N 62a_100000702099_102125554688 [0,0,0,1,0,0|3,0,0]=4 2261 B10R1.205 CC(SCC1CO1)C(=O)N 62a_102125554688_100000702099 [0,0,0,1,0,0|3,0,0]=4 2262 B10R1.205 CC(SCC1CS1)C(=O)N 62a_100000031435_100000702099 [0,0,0,1,0,0|3,0,0]=4 2263 B10R1.205 CC(SCC1CS1)C(=O)N 62a_100000702099_100000031435 [0,0,0,1,0,0|3,0,0]=4 2264 B10R1.205 CC(SC[C@@H]1CO1)C(=O)N 62a_100000702099_100000745022 [0,0,0,1,0,0|3,0,0]=4 2265 B10R1.205 CC(SC[C@@H]1CO1)C(=O)N 62a_100000745022_100000702099 [0,0,0,1,0,0|3,0,0]=4 2266 B10R1.205 C[C@@H](NCC1CC1)C(=O)N 2230a_100000119354_100000742324 [0,0,0,1,0,0|2,0,0]=3 2267 B10R1.205 C[C@@H](NCC1CC1)C(=O)N 34a_100000119354_100000742324 [0,0,0,1,0,0|2,0,0]=3 2268 B10R1.205 C[C@@H](NCC1CO1)C(=O)N 2230a_100000119354_100011216344 [0,0,0,1,0,0|3,0,0]=4 2269 B10R1.205 C[C@@H](NCC1CO1)C(=O)N 34a_100000119354_102125554688 [0,0,0,1,0,0|3,0,0]=4 2270 B10R1.205 C[C@@H](OCC1CC1)C(=O)N 34a_100000731257_100000742324 [0,0,0,1,0,0|2,0,0]=3 2271 B10R1.205 C[C@@H](OCC1CC1)C(=O)N 7a_100000731257_100000742324 [0,0,0,1,0,0|2,0,0]=3 2272 B10R1.205 C[C@@H](OCC1CO1)C(=O)N 34a_100000731257_102125554688 [0,0,0,1,0,0|3,0,0]=4 2273 B10R1.205 C[C@@H](OCC1CO1)C(=O)N 7a_100000731257_102125554688 [0,0,0,1,0,0|3,0,0]=4 2274 B10R1.205 C[C@@H](OCC1CS1)C(=O)N 7a_100000731257_100000031435 [0,0,0,1,0,0|3,0,0]=4 2275 B10R1.205 C[C@@H](OC[C@@H]1CO1)C(=O)N 7a_100000731257_100000745022 [0,0,0,1,0,0|3,0,0]=4 2276 B10R1.205 C[C@H](NCC1CC1)C(=O)O 269956a_100000743915_100000742324 [0,0,0,1,0,0|1,0,0]=2 2277 B10R1.205 C[C@H](NCC1CO1)C(=O)O 269956a_100000743915_102125554688 [0,0,0,1,0,0|2,0,0]=3 2278 B10R1.205 C[C@H](NCC1CS1)C(=O)O 269956a_100000743915_100000031435 [0,0,0,1,0,0|2,0,0]=3 2279 B10R1.205 C[C@H](NC[C@@H]1CO1)C(=O)O 269956a_100000743915_100000745022 [0,0,0,1,0,0|2,0,0]=3 2280 B10R1.205 C[C@H](OCC1CC1)C(=O)[O-] 7a_217856618621_100000742324 [0,0,0,1,0,0|1,0,1]=3 2281 B10R1.205 C[C@H](OCC1CO1)C(=O)[O-] 7a_217856618621_102125554688 [0,0,0,1,0,0|2,0,1]=4 2282 B10R1.205 C[C@H](OCC1CS1)C(=O)[O-] 7a_217856618621_100000031435 [0,0,0,1,0,0|2,0,1]=4 2283 B10R1.205 C[C@H](OC[C@@H]1CO1)C(=O)[O-] 7a_217856618621_100000745022 [0,0,0,1,0,0|2,0,1]=4 2284 B10R1.205 NC(=O)C(F)NCC1CC1 2230a_100000735609_100009813875 [0,0,0,1,0,0|3,0,0]=4 2285 B10R1.205 NC(=O)C(F)NCC1CC1 34a_100000735609_100009813875 [0,0,0,1,0,0|3,0,0]=4 2286 B10R1.205 NC(=O)C(F)OCC1CC1 34a_100000211283_100009813875 [0,0,0,1,0,0|3,0,0]=4 2287 B10R1.205 NC(=O)C(F)SCC1CC1 62a_100000756562_100009813875 [0,0,0,1,0,0|3,0,0]=4 2288 B10R1.205 NC(=O)C(F)SCC1CC1 62a_100009813875_100000742324 [0,0,0,1,0,0|3,0,0]=4 2289 B10R1.205 NC(=O)[C@@H](N)COC1CC1 34a_100000729942_100000211595 [0,0,0,1,0,0|3,0,0]=4 2290 B10R1.205 O=C(O)C(F)CNC1CC1 269956a_100000084737_100000211595 [0,0,0,1,0,0|2,0,0]=3 2291 B10R1.205 O=C([O-])C(F)NCC1CC1 34a_100000735609_100020610796 [0,0,0,1,0,0|2,0,1]=4 2292 B10R1.205 O=C([O-])C(F)OCC1CC1 34a_100000211283_100020610796 [0,0,0,1,0,0|2,0,1]=4 2293 B10R1.205 O=C([O-])C(F)SCC1CC1 62a_100000756562_100020610796 [0,0,0,1,0,0|2,0,1]=4 2294 B10R1.205 O=C([O-])C(F)SCC1CC1 62a_100020610796_100000742324 [0,0,0,1,0,0|2,0,1]=4 2295 B10R1.217 CCCCN1C[C@@H]([C@@H]1C)O 2230a_206633788156_100000210211 [0,0,0,1,0,0|2,0,1]=4 2296 B10R1.217 CCCCN1C[C@@H]([C@@H]1C)O 269982a_206633788156_100000210211 [0,0,0,1,0,0|2,0,1]=4 2297 B10R1.277 CN1CCCN(C(=O)C1)C 2230a_100000709885_200000210301 [0,0,0,1,0,0|3,0,0]=4 2298 B10R1.277 CN1CCCN(C(=O)C1)C 269982a_100000709885_200000210301 [0,0,0,1,0,0|3,0,0]=4 2299 B10R1.277 CN1CCCN(C(=O)C1)C 34a_100000709885_200000210301 [0,0,0,1,0,0|3,0,0]=4 2300 B10R1.277 CN1CCCN(CC1=O)[13CH3] 2230a_100000709885_200025704644 [0,0,0,1,0,0|3,0,0]=4 2301 B10R1.277 CN1CCCN(CC1=O)[13CH3] 269982a_100000709885_200025704644 [0,0,0,1,0,0|3,0,0]=4 2302 B10R1.277 CN1CCCN(CC1=O)[13CH3] 34a_100000709885_200025704644 [0,0,0,1,0,0|3,0,0]=4 2303 B10R1.291 CN1CCC[C@@]1(C)C(=O)O 269956a_100009816582_200000210301 [0,0,0,1,0,0|1,0,0]=2 2304 B10R1.291 C[C@]1(CCCN1[13CH3])C(=O)O 269956a_100009816582_200025704644 [0,0,0,1,0,0|1,0,0]=2 2305 B10R1.348 CC(=O)C1CCC=CCC1 1458a_100000048548_200000210301 [0,0,0,1,0,0|1,0,2]=4 2306 B10R1.348 CC(=O)C1CCCCCC1 1458a_100000070787_100011217769 [0,0,0,1,0,0|1,0,0]=2 2307 B10R1.348 CC(=O)C1CCCCCC1 1458a_100000749507_200000210301 [0,0,0,1,0,0|1,0,0]=2 2308 B10R1.348 CC(=O)N1CCCCCC1 11a_100000185865_100015343762 [0,0,0,1,0,0|2,0,0]=3 2309 B10R1.348 CC(=O)N1CCCCCC1 1626a_100000185865_100015343762 [0,0,0,1,0,0|2,0,0]=3 2310 B10R1.348 CC(=O)N1CCCCCC1 240690a_100000185865_100015343762 [0,0,0,1,0,0|2,0,0]=3 2311 B10R1.348 CC(=O)N1CCCCCC1 527a_100000185865_100103153847 [0,0,0,1,0,0|2,0,0]=3 2312 B10R1.348 CC(=O)N1CCCOCC1 11a_100000685342_100015343762 [0,0,0,1,0,0|3,0,0]=4 2313 B10R1.348 CC(=O)N1CCCOCC1 1626a_100000685342_100015343762 [0,0,0,1,0,0|3,0,0]=4 2314 B10R1.348 CC(=O)N1CCCOCC1 240690a_100000685342_100015343762 [0,0,0,1,0,0|3,0,0]=4 2315 B10R1.348 CC(=O)N1CCCOCC1 527a_100000685342_100103153847 [0,0,0,1,0,0|3,0,0]=4 2316 B10R1.348 CN(C)C1CCCCCC1 2230a_100015185097_200000210301 [0,0,0,1,0,0|3,0,0]=4 2317 B10R1.348 CN(C)C1CCCCCC1 269982a_100015185097_200000210301 [0,0,0,1,0,0|3,0,0]=4 2318 B10R1.348 CN(C)C1CCCCCC1 269982a_100102631434_100011217769 [0,0,0,1,0,0|3,0,0]=4 2319 B10R1.348 CN(C)C1CCCCCC1 270004a_100102631434_100000210131 [0,0,0,1,0,0|3,0,0]=4 2320 B10R1.348 CN(C)C1CCCCCC1 34a_100015185097_200000210301 [0,0,0,1,0,0|3,0,0]=4 2321 B10R1.348 CN([13CH3])C1CCCCCC1 2230a_100015185097_200025704644 [0,0,0,1,0,0|3,0,0]=4 2322 B10R1.348 CN([13CH3])C1CCCCCC1 269982a_100015185097_200025704644 [0,0,0,1,0,0|3,0,0]=4 2323 B10R1.348 CN([13CH3])C1CCCCCC1 34a_100015185097_200025704644 [0,0,0,1,0,0|3,0,0]=4 2324 B10R1.348 [13CH3]C(=O)C1CCC=CCC1 1458a_100000048548_200025704644 [0,0,0,1,0,0|1,0,2]=4 2325 B10R1.348 [13CH3]C(=O)C1CCCCCC1 1458a_100000749507_200025704644 [0,0,0,1,0,0|1,0,0]=2 2326 B10R1.363 CC(=O)C1(CCCCC1)C 1458a_100000762840_200000210301 [0,0,0,1,0,0|1,0,0]=2 2327 B10R1.363 CC(=O)C1(CCCCC1)F 1458a_100000069003_200000210301 [0,0,0,1,0,0|2,0,0]=3 2328 B10R1.363 CC(=O)C1(CCCCC1)O 1458a_100000242742_200000210301 [0,0,0,1,0,0|2,0,0]=3 2329 B10R1.363 CC(=O)C1(CCOCC1)C 1458a_100000749465_200000210301 [0,0,0,1,0,0|2,0,0]=3 2330 B10R1.363 CC(=O)C1(CCOCC1)F 1458a_100009845733_200000210301 [0,0,0,1,0,0|3,0,0]=4 2331 B10R1.363 CC(=O)C1(CCOCC1)O 1458a_100000751969_200000210301 [0,0,0,1,0,0|3,0,0]=4 2332 B10R1.363 CC1(CCCCC1)C(=O)[13CH3] 1458a_100000762840_200025704644 [0,0,0,1,0,0|1,0,0]=2 2333 B10R1.363 CC1(CCOCC1)C(=O)[13CH3] 1458a_100000749465_200025704644 [0,0,0,1,0,0|2,0,0]=3 2334 B10R1.363 [13CH3]C(=O)C1(CCCCC1)F 1458a_100000069003_200025704644 [0,0,0,1,0,0|2,0,0]=3 2335 B10R1.363 [13CH3]C(=O)C1(CCCCC1)O 1458a_100000242742_200025704644 [0,0,0,1,0,0|2,0,0]=3 2336 B10R1.363 [13CH3]C(=O)C1(CCOCC1)F 1458a_100009845733_200025704644 [0,0,0,1,0,0|3,0,0]=4 2337 B10R1.363 [13CH3]C(=O)C1(CCOCC1)O 1458a_100000751969_200025704644 [0,0,0,1,0,0|3,0,0]=4 2338 B10R0.6 C#CCCCN(C)CC(=O)O 269956a_100000746989_100011215417 [0,0,0,0,0,1|1,0,2]=4 2339 B10R0.6 C=C(C)CN(C)CCCCC 2230a_100000223495_100000748629 [0,0,0,0,0,1|3,0,0]=4 2340 B10R0.6 C=C(C)CN(C)CCCCC 2230a_100000225649_100000210326 [0,0,0,0,0,1|3,0,0]=4 2341 B10R0.6 C=C(C)CN(C)CCCCC 269982a_100000223495_100000748629 [0,0,0,0,0,1|3,0,0]=4 2342 B10R0.6 C=C(C)CN(C)CCCCC 269982a_100000225649_100000210215 [0,0,0,0,0,1|3,0,0]=4 2343 B10R0.6 C=C(F)CN(C)CCCCC 2230a_100000223495_100009893438 [0,0,0,0,0,1|3,0,0]=4 2344 B10R0.6 C=C(F)CN(C)CCCCC 269982a_100000223495_100009893438 [0,0,0,0,0,1|3,0,0]=4 2345 B10R0.6 C=CCCCN(C)CC(=O)O 269956a_100000746989_100011713584 [0,0,0,0,0,1|1,0,2]=4 2346 B10R0.6 CC(=O)OC(C)SCCCF 62a_100009818208_100011934791 [0,0,0,0,0,1|3,0,0]=4 2347 B10R0.6 CC(=O)OC(C)SCCCF 62a_100011934791_100009818208 [0,0,0,0,0,1|3,0,0]=4 2348 B10R0.6 CC(=O)OC(C)SCCCO 62a_100009818208_100011215043 [0,0,0,0,0,1|3,0,0]=4 2349 B10R0.6 CC(=O)OC(C)SCCCO 62a_100011215043_100009818208 [0,0,0,0,0,1|3,0,0]=4 2350 B10R0.6 CC/C=C\CN(C)CC(=O)O 269956a_100000746989_100103147603 [0,0,0,0,0,1|1,0,2]=4 2351 B10R0.6 CCC#CCN(C)CC(=O)O 269956a_100000746989_100009813939 [0,0,0,0,0,1|1,0,2]=4 2352 B10R0.6 CCCCCC(=O)CC(=O)C 1458a_100000070787_200012276598 [0,0,0,0,0,1|2,0,1]=4 2353 B10R0.6 CCCCCC(=O)CC(=O)N 1458a_100000212188_100000187820 [0,0,0,0,0,1|2,0,1]=4 2354 B10R0.6 CCCCCC(=O)CC(=O)N 1458a_100134613110_100000210326 [0,0,0,0,0,1|2,0,1]=4 2355 B10R0.6 CCCCCC(=O)CC(=O)[O-] 1458a_100000212188_100020667443 [0,0,0,0,0,1|1,0,2]=4 2356 B10R0.6 CCCCCC(C)NC(=O)C 11a_100000211957_100015343762 [0,0,0,0,0,1|1,0,0]=2 2357 B10R0.6 CCCCCC(C)NC(=O)C 1626a_100000211957_100015343762 [0,0,0,0,0,1|1,0,0]=2 2358 B10R0.6 CCCCCC(C)NC(=O)C 240690a_100000211957_100015343762 [0,0,0,0,0,1|1,0,0]=2 2359 B10R0.6 CCCCCC(C)NC(=O)C 527a_100000211957_100103153847 [0,0,0,0,0,1|1,0,0]=2 2360 B10R0.6 CCCCCC(C)NC(C)C 2230a_100000211957_100000210206 [0,0,0,0,0,1|2,0,1]=4 2361 B10R0.6 CCCCCC(C)NC(C)C 2230a_100138425928_200011218191 [0,0,0,0,0,1|2,0,1]=4 2362 B10R0.6 CCCCCC(C)NC(C)C 34a_100138425928_200011218191 [0,0,0,0,0,1|2,0,1]=4 2363 B10R0.6 CCCCCC(C)OC(C)C 34a_100000212225_200011218191 [0,0,0,0,0,1|2,0,1]=4 2364 B10R0.6 CCCCCC(C)OC(C)C 34a_100011215632_100000210206 [0,0,0,0,0,1|2,0,1]=4 2365 B10R0.6 CCCCCC(C)OC(C)C 7a_100011215632_100000210206 [0,0,0,0,0,1|2,0,1]=4 2366 B10R0.6 CCCCCC(C)SC(C)C 62a_100000210206_200011218191 [0,0,0,0,0,1|2,0,1]=4 2367 B10R0.6 CCCCCC(C)SC(C)C 62a_200011218191_100000210206 [0,0,0,0,0,1|2,0,1]=4 2368 B10R0.6 CCCCCN(C)CC(=O)N 2230a_100000223495_100000747473 [0,0,0,0,0,1|2,0,0]=3 2369 B10R0.6 CCCCCN(C)CC(=O)N 2230a_100000739694_100000210326 [0,0,0,0,0,1|2,0,0]=3 2370 B10R0.6 CCCCCN(C)CC(=O)N 269982a_100000223495_100000187820 [0,0,0,0,0,1|2,0,0]=3 2371 B10R0.6 CCCCCN(C)CC(=O)O 269956a_100000746989_100000210326 [0,0,0,0,0,1|1,0,0]=2 2372 B10R0.6 CCCCCN(C)CC(=O)[O-] 269982a_100000223495_100020667443 [0,0,0,0,0,1|1,0,1]=3 2373 B10R0.6 CCCCCN(C)CC(C)O 2230a_100000223495_100011218427 [0,0,0,0,0,1|2,0,1]=4 2374 B10R0.6 CCCCCN(C)CC(C)O 2230a_100000227577_100000210326 [0,0,0,0,0,1|2,0,1]=4 2375 B10R0.6 CCCCCN(C)CC(C)O 269982a_100000223495_100011218427 [0,0,0,0,0,1|2,0,1]=4 2376 B10R0.6 CCCCCN(C)CC(C)O 269982a_100000227577_100000210215 [0,0,0,0,0,1|2,0,1]=4 2377 B10R0.6 CCCCCN(C)C[C@@H](C)O 2230a_100000223495_100009817552 [0,0,0,0,0,1|2,0,1]=4 2378 B10R0.6 CCCCCN(C)C[C@@H](C)O 269982a_100000223495_100009817552 [0,0,0,0,0,1|2,0,1]=4 2379 B10R0.6 CCCCCN(C)C[N+](=O)[O-] 269982a_100000223495_100000761209 [0,0,0,0,0,1|2,0,1]=4 2380 B10R0.6 CCCCOC(C)C=C(C)C 34a_100000717055_100000210210 [0,0,0,0,0,1|3,0,0]=4 2381 B10R0.6 CCCCSC(C)OC(=O)C 62a_100000210211_100009818208 [0,0,0,0,0,1|2,0,0]=3 2382 B10R0.6 CCCCSC(C)OC(=O)C 62a_100009818208_100000210210 [0,0,0,0,0,1|2,0,0]=3 2383 B10R0.6 CCCNCC(O)CC(=O)O 269956a_100011218706_100000210207 [0,0,0,0,0,1|2,0,0]=3 2384 B10R0.6 CCOCCN(C)CC(=O)N 2230a_100000739694_100011215890 [0,0,0,0,0,1|3,0,0]=4 2385 B10R0.6 CCOCCN(C)CC(=O)O 269956a_100000746989_100000210147 [0,0,0,0,0,1|2,0,0]=3 2386 B10R0.6 CCOCSC(C)OC(=O)C 62a_100000739092_100009818208 [0,0,0,0,0,1|3,0,0]=4 2387 B10R0.6 CCOCSC(C)OC(=O)C 62a_100009818208_100000739092 [0,0,0,0,0,1|3,0,0]=4 2388 B10R0.6 CCSCCN(C)CC(=O)N 2230a_100000739694_100000757381 [0,0,0,0,0,1|3,0,0]=4 2389 B10R0.6 CCSCCN(C)CC(=O)O 269956a_100000746989_100000757381 [0,0,0,0,0,1|2,0,0]=3 2390 B10R0.6 CN(CCCC#N)CC(=O)O 269956a_100000746989_100000687738 [0,0,0,0,0,1|2,0,1]=4 2391 B10R0.6 CN(CCCC=O)CC(=O)O 269956a_100000746989_200011292268 [0,0,0,0,0,1|2,0,1]=4 2392 B10R0.6 CN(CCCCF)CC(=O)N 2230a_100000739694_100000729493 [0,0,0,0,0,1|3,0,0]=4 2393 B10R0.6 CN(CCCCF)CC(=O)O 269956a_100000746989_100000729493 [0,0,0,0,0,1|2,0,0]=3 2394 B10R0.6 CN(CCCCO)CC(=O)N 2230a_100000717598_100000747473 [0,0,0,0,0,1|3,0,0]=4 2395 B10R0.6 CN(CCCCO)CC(=O)N 2230a_100000739694_100000210776 [0,0,0,0,0,1|3,0,0]=4 2396 B10R0.6 CN(CCCCO)CC(=O)N 269982a_100000717598_100000187820 [0,0,0,0,0,1|3,0,0]=4 2397 B10R0.6 CN(CCCCO)CC(=O)O 269956a_100000746989_100000210776 [0,0,0,0,0,1|2,0,0]=3 2398 B10R0.6 CN(CCCCO)CC(=O)[O-] 269982a_100000717598_100020667443 [0,0,0,0,0,1|2,0,1]=4 2399 B10R0.6 COCCCN(C)CC(=O)N 2230a_100000224831_100000747473 [0,0,0,0,0,1|3,0,0]=4 2400 B10R0.6 COCCCN(C)CC(=O)N 2230a_100000739694_100000740836 [0,0,0,0,0,1|3,0,0]=4 2401 B10R0.6 COCCCN(C)CC(=O)N 269982a_100000224831_100000187820 [0,0,0,0,0,1|3,0,0]=4 2402 B10R0.6 COCCCN(C)CC(=O)O 269956a_100000746989_100000740836 [0,0,0,0,0,1|2,0,0]=3 2403 B10R0.6 COCCCN(C)CC(=O)[O-] 269982a_100000224831_100020667443 [0,0,0,0,0,1|2,0,1]=4 2404 B10R0.6 COCCSC(C)OC(=O)C 62a_100000233755_100009818208 [0,0,0,0,0,1|3,0,0]=4 2405 B10R0.6 COCCSC(C)OC(=O)C 62a_100009818208_100000233755 [0,0,0,0,0,1|3,0,0]=4 2406 B10R0.6 COCNCC(O)CC(=O)O 269956a_100011218706_100000766300 [0,0,0,0,0,1|3,0,0]=4 2407 B10R0.6 CSCCSC(C)OC(=O)C 62a_100000212216_100009818208 [0,0,0,0,0,1|3,0,0]=4 2408 B10R0.6 CSCCSC(C)OC(=O)C 62a_100009818208_100000751147 [0,0,0,0,0,1|3,0,0]=4 2409 B10R0.6 CSCNCC(O)CC(=O)O 269956a_100011218706_100011218213 [0,0,0,0,0,1|3,0,0]=4 2410 B10R0.6 O=C(O)CC(O)CNCCF 269956a_100011218706_100011217306 [0,0,0,0,0,1|3,0,0]=4 2411 B10R0.6 O=C(O)CC(O)CNCCO 269956a_100011218706_100000211926 [0,0,0,0,0,1|3,0,0]=4 2412 B7R0.1 C=CCCCCNC 2230a_100000703577_200000210301 [2,0,0,0,0,0|2,0,0]=4 2413 B7R0.1 C=CCCCCNC 2230a_106832991635_100011215482 [2,0,0,0,0,0|2,0,0]=4 2414 B7R0.1 C=CCCCCNC 34a_100000703577_200000210301 [2,0,0,0,0,0|2,0,0]=4 2415 B7R0.1 C=CCCCCNC 34a_100102657272_100011215482 [2,0,0,0,0,0|2,0,0]=4 2416 B7R0.1 C=CCCCCNC 7a_106832991635_100011215482 [2,0,0,0,0,0|2,0,0]=4 2417 B7R0.1 C=CCCCCN[13CH3] 2230a_100000703577_200025704644 [2,0,0,0,0,0|2,0,0]=4 2418 B7R0.1 C=CCCCCN[13CH3] 34a_100000703577_200025704644 [2,0,0,0,0,0|2,0,0]=4 2419 B7R0.1 C=CCCCCOC 34a_100000766645_200000210301 [2,0,0,0,0,0|2,0,0]=4 2420 B7R0.1 C=CCCCCOC 34a_100138415774_100011215482 [2,0,0,0,0,0|2,0,0]=4 2421 B7R0.1 C=CCCCCOC 7a_100000766645_200000210301 [2,0,0,0,0,0|2,0,0]=4 2422 B7R0.1 C=CCCCCO[13CH3] 34a_100000766645_200025704644 [2,0,0,0,0,0|2,0,0]=4 2423 B7R0.1 C=CCCCCO[13CH3] 7a_100000766645_200025704644 [2,0,0,0,0,0|2,0,0]=4 2424 B7R0.1 C=CCCCCSC 62a_100011215482_200000210301 [2,0,0,0,0,0|2,0,0]=4 2425 B7R0.1 C=CCCCCSC 62a_200000210301_100011215482 [2,0,0,0,0,0|2,0,0]=4 2426 B7R0.1 C=CCCCCS[13CH3] 62a_100011215482_200025704644 [2,0,0,0,0,0|2,0,0]=4 2427 B7R0.1 C=CCCCCS[13CH3] 62a_200025704644_100011215482 [2,0,0,0,0,0|2,0,0]=4 2428 B7R0.1 C=CCCCNCC 2230a_100000700776_100000210202 [2,0,0,0,0,0|2,0,0]=4 2429 B7R0.1 C=CCCCNCC 2230a_100015525214_100011713584 [2,0,0,0,0,0|2,0,0]=4 2430 B7R0.1 C=CCCCNCC 34a_100000700776_100000210202 [2,0,0,0,0,0|2,0,0]=4 2431 B7R0.1 C=CCCCOCC 34a_100000758997_100000210202 [2,0,0,0,0,0|2,0,0]=4 2432 B7R0.1 C=CCCCOCC 34a_100121572206_100000757094 [2,0,0,0,0,0|2,0,0]=4 2433 B7R0.1 C=CCCCOCC 7a_100000758997_100000210202 [2,0,0,0,0,0|2,0,0]=4 2434 B7R0.1 C=CCCCSCC 62a_100000210202_100000757094 [2,0,0,0,0,0|2,0,0]=4 2435 B7R0.1 C=CCCCSCC 62a_100011713584_100000210202 [2,0,0,0,0,0|2,0,0]=4 2436 B7R0.1 C=CCCNCCC 2230a_100015191253_100000210303 [2,0,0,0,0,0|2,0,0]=4 2437 B7R0.1 C=CCCOCCC 34a_100000210258_100000754431 [2,0,0,0,0,0|2,0,0]=4 2438 B7R0.1 C=CCCOCCC 34a_100011205117_100000210303 [2,0,0,0,0,0|2,0,0]=4 2439 B7R0.1 C=CCCSCCC 62a_100000210303_100000754431 [2,0,0,0,0,0|2,0,0]=4 2440 B7R0.1 C=CCCSCCC 62a_100000754431_100000210303 [2,0,0,0,0,0|2,0,0]=4 2441 B7R0.1 C=CCNCCCC 2230a_100000102301_100000210623 [2,0,0,0,0,0|2,0,0]=4 2442 B7R0.1 C=CCNCCCC 2230a_100020586998_100000210211 [2,0,0,0,0,0|2,0,0]=4 2443 B7R0.1 C=CCNCCCC 7a_106832991798_100015514636 [2,0,0,0,0,0|2,0,0]=4 2444 B7R0.1 C=CCOCCCC 34a_100000210227_100015514636 [2,0,0,0,0,0|2,0,0]=4 2445 B7R0.1 C=CCOCCCC 34a_200000210373_100000210210 [2,0,0,0,0,0|2,0,0]=4 2446 B7R0.1 C=CCOCCCC 7a_100000210227_100015514636 [2,0,0,0,0,0|2,0,0]=4 2447 B7R0.1 C=CCSCCCC 62a_100000210211_100000210623 [2,0,0,0,0,0|2,0,0]=4 2448 B7R0.1 C=CCSCCCC 62a_100000210623_100000210210 [2,0,0,0,0,0|2,0,0]=4 2449 B7R0.1 CCCCCCNC 2230a_100000210581_200000210301 [2,0,0,0,0,0|2,0,0]=4 2450 B7R0.1 CCCCCCNC 2230a_106832991635_100000210314 [2,0,0,0,0,0|2,0,0]=4 2451 B7R0.1 CCCCCCNC 34a_100102657272_100000210314 [2,0,0,0,0,0|2,0,0]=4 2452 B7R0.1 CCCCCCNC 7a_106832991635_100000210314 [2,0,0,0,0,0|2,0,0]=4 2453 B7R0.1 CCCCCCN[13CH3] 2230a_100000210581_200025704644 [2,0,0,0,0,0|2,0,0]=4 2454 B7R0.1 CCCCCCOC 34a_100000210259_200000210301 [2,0,0,0,0,0|2,0,0]=4 2455 B7R0.1 CCCCCCOC 34a_100138415774_100000210314 [2,0,0,0,0,0|2,0,0]=4 2456 B7R0.1 CCCCCCOC 7a_100000210259_200000210301 [2,0,0,0,0,0|2,0,0]=4 2457 B7R0.1 CCCCCCO[13CH3] 34a_100000210259_200025704644 [2,0,0,0,0,0|2,0,0]=4 2458 B7R0.1 CCCCCCO[13CH3] 7a_100000210259_200025704644 [2,0,0,0,0,0|2,0,0]=4 2459 B7R0.1 CCCCCCSC 62a_100000210314_200000210301 [2,0,0,0,0,0|2,0,0]=4 2460 B7R0.1 CCCCCCSC 62a_200000210301_100000210757 [2,0,0,0,0,0|2,0,0]=4 2461 B7R0.1 CCCCCCS[13CH3] 62a_100000210314_200025704644 [2,0,0,0,0,0|2,0,0]=4 2462 B7R0.1 CCCCCCS[13CH3] 62a_200025704644_100000210757 [2,0,0,0,0,0|2,0,0]=4 2463 B7R0.1 CCCCNCC=O 2230a_100000102301_200015260668 [2,0,0,0,0,0|1,0,0]=3 2464 B7R0.1 CCCCNCC=O 7a_106832991798_200015260668 [2,0,0,0,0,0|1,0,0]=3 2465 B7R0.1 CCCCNCCO 2230a_100000102301_100000211926 [2,0,0,0,0,0|1,0,1]=4 2466 B7R0.1 CCCCNCCO 2230a_100016997473_100000210211 [2,0,0,0,0,0|1,0,1]=4 2467 B7R0.1 CCCCNCCO 34a_100016990907_100000210210 [2,0,0,0,0,0|1,0,1]=4 2468 B7R0.1 CCCCNCCO 7a_106832991798_100000211926 [2,0,0,0,0,0|1,0,1]=4 2469 B7R0.1 CCCCOCC=O 34a_100000210227_200009817547 [2,0,0,0,0,0|1,0,0]=3 2470 B7R0.1 CCCCOCC=O 7a_100000210227_200015260668 [2,0,0,0,0,0|1,0,0]=3 2471 B7R0.1 CCCCOCCO 34a_100000210227_100000211926 [2,0,0,0,0,0|1,0,1]=4 2472 B7R0.1 CCCCOCCO 7a_100000210227_100000211926 [2,0,0,0,0,0|1,0,1]=4 2473 B7R0.1 CCCCSCC=O 62a_100000210211_200015260668 [2,0,0,0,0,0|1,0,0]=3 2474 B7R0.1 CCCCSCC=O 62a_200015260668_100000210210 [2,0,0,0,0,0|1,0,0]=3 2475 B7R0.1 CCCCSCCO 62a_100000210211_100000211926 [2,0,0,0,0,0|1,0,1]=4 2476 B7R0.1 CCCCSCCO 62a_100000211926_100000210210 [2,0,0,0,0,0|1,0,1]=4 2477 B7R0.1 CCCOCCCO 34a_100000210258_100000230001 [2,0,0,0,0,0|1,0,1]=4 2478 B7R0.1 CCCSCCCO 62a_100000210303_100011215043 [2,0,0,0,0,0|1,0,1]=4 2479 B7R0.1 CCCSCCCO 62a_100011215043_100000210303 [2,0,0,0,0,0|1,0,1]=4 2480 B7R0.1 CCNCCCC=O 2230a_100015525214_200011292268 [2,0,0,0,0,0|1,0,0]=3 2481 B7R0.1 CCNCCCCO 2230a_100000750430_100000210202 [2,0,0,0,0,0|1,0,1]=4 2482 B7R0.1 CCNCCCCO 2230a_100015525214_100000210776 [2,0,0,0,0,0|1,0,1]=4 2483 B7R0.1 CCNCCCCO 34a_100000750430_100000210202 [2,0,0,0,0,0|1,0,1]=4 2484 B7R0.1 CCOCCCCO 34a_100121572206_100011216708 [2,0,0,0,0,0|1,0,1]=4 2485 B7R0.1 CCOCSCC=O 62a_100000739092_200015260668 [2,0,0,0,0,0|2,0,0]=4 2486 B7R0.1 CCOCSCC=O 62a_200015260668_100000739092 [2,0,0,0,0,0|2,0,0]=4 2487 B7R0.1 CCSCCCC=O 62a_100000210202_200011292268 [2,0,0,0,0,0|1,0,0]=3 2488 B7R0.1 CCSCCCC=O 62a_200011292268_100000210202 [2,0,0,0,0,0|1,0,0]=3 2489 B7R0.1 CCSCCCCO 62a_100000210202_100000210776 [2,0,0,0,0,0|1,0,1]=4 2490 B7R0.1 CCSCCCCO 62a_100000210776_100000210202 [2,0,0,0,0,0|1,0,1]=4 2491 B7R0.1 CNCCCCC=O 2230a_106832991635_100000139335 [2,0,0,0,0,0|1,0,0]=3 2492 B7R0.1 CNCCCCC=O 7a_106832991635_100000139335 [2,0,0,0,0,0|1,0,0]=3 2493 B7R0.1 CNCCCCCO 2230a_100000762737_200000210301 [2,0,0,0,0,0|1,0,1]=4 2494 B7R0.1 CNCCCCCO 2230a_106832991635_100000746330 [2,0,0,0,0,0|1,0,1]=4 2495 B7R0.1 CNCCCCCO 34a_100000762737_200000210301 [2,0,0,0,0,0|1,0,1]=4 2496 B7R0.1 CNCCCCCO 34a_100102657272_100000746330 [2,0,0,0,0,0|1,0,1]=4 2497 B7R0.1 CNCCCCCO 7a_106832991635_100000746330 [2,0,0,0,0,0|1,0,1]=4 2498 B7R0.1 COCCCCCO 34a_100138415774_100000746330 [2,0,0,0,0,0|1,0,1]=4 2499 B7R0.1 COCCNCC=O 2230a_100000209980_200015260668 [2,0,0,0,0,0|2,0,0]=4 2500 B7R0.1 COCCOCC=O 34a_100000210237_200009817547 [2,0,0,0,0,0|2,0,0]=4 2501 B7R0.1 COCCSCC=O 62a_100000233755_200015260668 [2,0,0,0,0,0|2,0,0]=4 2502 B7R0.1 COCCSCC=O 62a_200015260668_100000233755 [2,0,0,0,0,0|2,0,0]=4 2503 B7R0.1 CSCCCCC=O 62a_100000139335_200000210301 [2,0,0,0,0,0|1,0,0]=3 2504 B7R0.1 CSCCCCC=O 62a_200000210301_100000139335 [2,0,0,0,0,0|1,0,0]=3 2505 B7R0.1 CSCCCCCO 62a_100000746330_200000210301 [2,0,0,0,0,0|1,0,1]=4 2506 B7R0.1 CSCCCCCO 62a_200000210301_100000746330 [2,0,0,0,0,0|1,0,1]=4 2507 B7R0.1 CSCCNCC=O 2230a_100020590264_200015260668 [2,0,0,0,0,0|2,0,0]=4 2508 B7R0.1 CSCCOCC=O 34a_100000230434_200009817547 [2,0,0,0,0,0|2,0,0]=4 2509 B7R0.1 CSCCOCC=O 7a_100000230434_200015260668 [2,0,0,0,0,0|2,0,0]=4 2510 B7R0.1 CSCCSCC=O 62a_100000212216_200015260668 [2,0,0,0,0,0|2,0,0]=4 2511 B7R0.1 CSCCSCC=O 62a_200015260668_100000751147 [2,0,0,0,0,0|2,0,0]=4 2512 B7R0.1 NCCCOCC=O 34a_100000182051_200009817547 [2,0,0,0,0,0|2,0,0]=4 2513 B7R0.1 O=CCCCSCF 62a_100015361967_200011292268 [2,0,0,0,0,0|2,0,0]=4 2514 B7R0.1 O=CCCCSCF 62a_200011292268_100015361967 [2,0,0,0,0,0|2,0,0]=4 2515 B7R0.1 O=CCNCCCF 2230a_100015189416_200015260668 [2,0,0,0,0,0|2,0,0]=4 2516 B7R0.1 O=CCNCCCF 34a_100015189416_200009817547 [2,0,0,0,0,0|2,0,0]=4 2517 B7R0.1 O=CCOCCCBr 34a_100011217188_200009817547 [2,0,0,0,0,0|2,0,0]=4 2518 B7R0.1 O=CCOCCCCl 34a_100000230001_200009817547 [2,0,0,0,0,0|2,0,0]=4 2519 B7R0.1 O=CCOCCCF 34a_100000759539_200009817547 [2,0,0,0,0,0|2,0,0]=4 2520 B7R0.1 O=CCSCCCF 62a_100011934791_200015260668 [2,0,0,0,0,0|2,0,0]=4 2521 B7R0.1 O=CCSCCCF 62a_200015260668_100011934791 [2,0,0,0,0,0|2,0,0]=4 2522 B7R0.1 O=CCSCCCO 62a_100011215043_200015260668 [2,0,0,0,0,0|2,0,0]=4 2523 B7R0.1 O=CCSCCCO 62a_200015260668_100011215043 [2,0,0,0,0,0|2,0,0]=4 2524 B7R0.1 [13CH3]NCCCCCO 2230a_100000762737_200025704644 [2,0,0,0,0,0|1,0,1]=4 2525 B7R0.1 [13CH3]NCCCCCO 34a_100000762737_200025704644 [2,0,0,0,0,0|1,0,1]=4 2526 B7R0.1 [13CH3]SCCCCC=O 62a_100000139335_200025704644 [2,0,0,0,0,0|1,0,0]=3 2527 B7R0.1 [13CH3]SCCCCC=O 62a_200025704644_100000139335 [2,0,0,0,0,0|1,0,0]=3 2528 B7R0.1 [13CH3]SCCCCCO 62a_100000746330_200025704644 [2,0,0,0,0,0|1,0,1]=4 2529 B7R0.1 [13CH3]SCCCCCO 62a_200025704644_100000746330 [2,0,0,0,0,0|1,0,1]=4 2530 B7R0.3 C=CC(C)COCC 34a_100011215527_100000210202 [2,0,0,0,0,0|2,0,0]=4 2531 B7R0.3 C=CC(C)COCC 7a_100011215527_100000210202 [2,0,0,0,0,0|2,0,0]=4 2532 B7R0.3 C=CC(C)OCCC 34a_100000695699_100000210303 [2,0,0,0,0,0|2,0,0]=4 2533 B7R0.3 C=CC(C)SCCC 62a_100011215867_100000210303 [2,0,0,0,0,0|2,0,0]=4 2534 B7R0.3 CC(CO)CCN[13CH3] 2230a_106354213184_200025704644 [2,0,0,0,0,0|1,0,1]=4 2535 B7R0.3 CC(CO)CCN[13CH3] 34a_106354213184_200025704644 [2,0,0,0,0,0|1,0,1]=4 2536 B7R0.3 CCCCC(C)NC 2230a_100000126638_200000210301 [2,0,0,0,0,0|2,0,0]=4 2537 B7R0.3 CCCCC(C)NC 2230a_106832991635_200011215066 [2,0,0,0,0,0|2,0,0]=4 2538 B7R0.3 CCCCC(C)NC 270004a_106832991635_100000210087 [2,0,0,0,0,0|2,0,0]=4 2539 B7R0.3 CCCCC(C)NC 34a_100102657272_200011215066 [2,0,0,0,0,0|2,0,0]=4 2540 B7R0.3 CCCCC(C)NC 7a_106832991635_200011215066 [2,0,0,0,0,0|2,0,0]=4 2541 B7R0.3 CCCCC(C)N[13CH3] 2230a_100000126638_200025704644 [2,0,0,0,0,0|2,0,0]=4 2542 B7R0.3 CCCCC(C)OC 34a_100000687866_200000210301 [2,0,0,0,0,0|2,0,0]=4 2543 B7R0.3 CCCCC(C)OC 34a_100138415774_200011215066 [2,0,0,0,0,0|2,0,0]=4 2544 B7R0.3 CCCCC(C)OC 7a_100000687866_200000210301 [2,0,0,0,0,0|2,0,0]=4 2545 B7R0.3 CCCCC(C)O[13CH3] 34a_100000687866_200025704644 [2,0,0,0,0,0|2,0,0]=4 2546 B7R0.3 CCCCC(C)O[13CH3] 7a_100000687866_200025704644 [2,0,0,0,0,0|2,0,0]=4 2547 B7R0.3 CCCCC(C)SC 62a_200000210301_200011215066 [2,0,0,0,0,0|2,0,0]=4 2548 B7R0.3 CCCCC(C)SC 62a_200011215066_200000210301 [2,0,0,0,0,0|2,0,0]=4 2549 B7R0.3 CCCCC(C)S[13CH3] 62a_200011215066_200025704644 [2,0,0,0,0,0|2,0,0]=4 2550 B7R0.3 CCCCC(C)S[13CH3] 62a_200025704644_200011215066 [2,0,0,0,0,0|2,0,0]=4 2551 B7R0.3 CCCN[C@H](C)CO 2230a_100000737577_100000210303 [2,0,0,0,0,0|1,0,1]=4 2552 B7R0.3 CCCOC(C)CO 34a_100000210258_100012180447 [2,0,0,0,0,0|1,0,1]=4 2553 B7R0.3 CCCSC(C)CO 62a_100012180447_100000210303 [2,0,0,0,0,0|1,0,1]=4 2554 B7R0.3 CCCS[C@H](C)CO 62a_100000210303_100016084084 [2,0,0,0,0,0|1,0,1]=4 2555 B7R0.3 CCCS[C@H](C)CO 62a_100016084084_100000210303 [2,0,0,0,0,0|1,0,1]=4 2556 B7R0.3 CCNCC(C)CO 34a_100000744482_100000210202 [2,0,0,0,0,0|1,0,1]=4 2557 B7R0.3 CCNC[C@@H](C)CO 2230a_100015525214_100000059175 [2,0,0,0,0,0|1,0,1]=4 2558 B7R0.3 CCOC[C@@H](C)CO 34a_100121572206_100000059175 [2,0,0,0,0,0|1,0,1]=4 2559 B7R0.3 CCSC[C@@H](C)CO 62a_100000059175_100000210202 [2,0,0,0,0,0|1,0,1]=4 2560 B7R0.3 CCSC[C@@H](C)CO 62a_100000210202_100000059175 [2,0,0,0,0,0|1,0,1]=4 2561 B7R0.3 CNCCC(C)CO 2230a_106354213184_200000210301 [2,0,0,0,0,0|1,0,1]=4 2562 B7R0.3 CNCCC(C)CO 34a_106354213184_200000210301 [2,0,0,0,0,0|1,0,1]=4 2563 B7R0.4 C=C(C)CCNCC 2230a_100015525214_100000730704 [2,0,0,0,0,0|1,0,1]=4 2564 B7R0.4 C=C(C)CCOCC 34a_100000764851_100000210202 [2,0,0,0,0,0|1,0,1]=4 2565 B7R0.4 C=C(C)CCOCC 34a_100121572206_100000730704 [2,0,0,0,0,0|1,0,1]=4 2566 B7R0.4 C=C(C)CCSCC 62a_100000210202_100000730704 [2,0,0,0,0,0|1,0,1]=4 2567 B7R0.4 C=C(C)CCSCC 62a_100000730704_100000210202 [2,0,0,0,0,0|1,0,1]=4 2568 B7R0.4 C=C(C)COCCC 34a_100000210245_100000210303 [2,0,0,0,0,0|1,0,1]=4 2569 B7R0.4 C=C(C)COCCC 34a_100000210258_100000748629 [2,0,0,0,0,0|1,0,1]=4 2570 B7R0.4 C=C(C)CSCCC 62a_100000210303_100000211660 [2,0,0,0,0,0|1,0,1]=4 2571 B7R0.4 C=C(C)CSCCC 62a_100000748629_100000210303 [2,0,0,0,0,0|1,0,1]=4 2572 B7R0.4 CC(=O)CCCCF 1458a_100000070787_100000729493 [2,0,0,0,0,0|1,0,1]=4 2573 B7R0.4 CC(=O)CCCCO 1458a_100000070787_100000210776 [2,0,0,0,0,0|1,0,1]=4 2574 B7R0.4 CC(=O)CCCCO 1458a_100000695505_200000210301 [2,0,0,0,0,0|1,0,1]=4 2575 B7R0.4 CC(=O)CCCO[13CH3] 34a_100000759063_200025704644 [2,0,0,0,0,0|1,0,1]=4 2576 B7R0.4 CC(=O)CCCO[13CH3] 7a_100000759063_200025704644 [2,0,0,0,0,0|1,0,1]=4 2577 B7R0.4 CC(=O)CCCS[13CH3] 62a_100011215641_200025704644 [2,0,0,0,0,0|1,0,1]=4 2578 B7R0.4 CC(=O)CCCS[13CH3] 62a_200025704644_100011215641 [2,0,0,0,0,0|1,0,1]=4 2579 B7R0.4 CC(C)CCCN[13CH3] 2230a_200000737386_200025704644 [2,0,0,0,0,0|1,0,1]=4 2580 B7R0.4 CC(C)CCCN[13CH3] 34a_200000737386_200025704644 [2,0,0,0,0,0|1,0,1]=4 2581 B7R0.4 CC(C)CCCO[13CH3] 34a_100000210774_200025704644 [2,0,0,0,0,0|1,0,1]=4 2582 B7R0.4 CC(C)CCCO[13CH3] 7a_100000210774_200025704644 [2,0,0,0,0,0|1,0,1]=4 2583 B7R0.4 CC(C)CCCS[13CH3] 62a_100011214892_200025704644 [2,0,0,0,0,0|1,0,1]=4 2584 B7R0.4 CC(C)CCCS[13CH3] 62a_200025704644_100011214892 [2,0,0,0,0,0|1,0,1]=4 2585 B7R0.4 CC(O)CCCS[13CH3] 62a_200000718107_200025704644 [2,0,0,0,0,0|1,0,0]=3 2586 B7R0.4 CC(O)CCCS[13CH3] 62a_200025704644_200000718107 [2,0,0,0,0,0|1,0,0]=3 2587 B7R0.4 CC(O)CCSCF 62a_100012276601_100015361967 [2,0,0,0,0,0|2,0,0]=4 2588 B7R0.4 CC(O)CCSCF 62a_100015361967_100012276601 [2,0,0,0,0,0|2,0,0]=4 2589 B7R0.4 CC(O)CNCCF 2230a_100000210904_100011217306 [2,0,0,0,0,0|2,0,0]=4 2590 B7R0.4 CC(O)CNCCF 34a_100000210904_100011217306 [2,0,0,0,0,0|2,0,0]=4 2591 B7R0.4 CC(O)CNCCF 34a_100000724931_100011218427 [2,0,0,0,0,0|2,0,0]=4 2592 B7R0.4 CC(O)CNCCO 2230a_100000210904_100000211926 [2,0,0,0,0,0|2,0,0]=4 2593 B7R0.4 CC(O)CNCCO 2230a_100016997473_100011218427 [2,0,0,0,0,0|2,0,0]=4 2594 B7R0.4 CC(O)CNCCO 34a_100000210904_100000211926 [2,0,0,0,0,0|2,0,0]=4 2595 B7R0.4 CC(O)CNCCO 34a_100016990907_100011218427 [2,0,0,0,0,0|2,0,0]=4 2596 B7R0.4 CC(O)COCCBr 34a_100000211926_100011218427 [2,0,0,0,0,0|2,0,0]=4 2597 B7R0.4 CC(O)COCCN 34a_100000210304_100011218427 [2,0,0,0,0,0|2,0,0]=4 2598 B7R0.4 CC(O)CSCCF 62a_100011217306_100011218427 [2,0,0,0,0,0|2,0,0]=4 2599 B7R0.4 CC(O)CSCCF 62a_100011218427_100011217306 [2,0,0,0,0,0|2,0,0]=4 2600 B7R0.4 CC(O)CSCCO 62a_100000211926_100011218427 [2,0,0,0,0,0|2,0,0]=4 2601 B7R0.4 CC(O)CSCCO 62a_100011218427_100000211926 [2,0,0,0,0,0|2,0,0]=4 2602 B7R0.4 CCCCCC(=O)C 1458a_100000070787_100000210326 [2,0,0,0,0,0|0,0,1]=3 2603 B7R0.4 CCCCCC(=O)C 1458a_100000212188_200000210301 [2,0,0,0,0,0|0,0,1]=3 2604 B7R0.4 CCCCCC(=O)[13CH3] 1458a_100000212188_200025704644 [2,0,0,0,0,0|0,0,1]=3 2605 B7R0.4 CCCCCN(C)C 2230a_100000223495_200000210301 [2,0,0,0,0,0|1,0,1]=4 2606 B7R0.4 CCCCCN(C)C 2230a_100102631434_100000210326 [2,0,0,0,0,0|1,0,1]=4 2607 B7R0.4 CCCCCN(C)C 269982a_100000223495_200000210301 [2,0,0,0,0,0|1,0,1]=4 2608 B7R0.4 CCCCCN(C)C 269982a_100102631434_100000210215 [2,0,0,0,0,0|1,0,1]=4 2609 B7R0.4 CCCCCN(C)[13CH3] 2230a_100000223495_200025704644 [2,0,0,0,0,0|1,0,1]=4 2610 B7R0.4 CCCCCN(C)[13CH3] 269982a_100000223495_200025704644 [2,0,0,0,0,0|1,0,1]=4 2611 B7R0.4 CCCCNC(=O)C 11a_100000102301_100015343762 [2,0,0,0,0,0|1,0,1]=4 2612 B7R0.4 CCCCNC(=O)C 1626a_100000102301_100015343762 [2,0,0,0,0,0|1,0,1]=4 2613 B7R0.4 CCCCNC(=O)C 240690a_100000102301_100015343762 [2,0,0,0,0,0|1,0,1]=4 2614 B7R0.4 CCCCNC(=O)C 527a_100000102301_100103153847 [2,0,0,0,0,0|1,0,1]=4 2615 B7R0.4 CCCCNC(C)C 2230a_100000102301_100000210206 [2,0,0,0,0,0|1,0,1]=4 2616 B7R0.4 CCCCNC(C)C 2230a_100138425928_100000210211 [2,0,0,0,0,0|1,0,1]=4 2617 B7R0.4 CCCCNC(C)C 34a_100138425928_100000210210 [2,0,0,0,0,0|1,0,1]=4 2618 B7R0.4 CCCCNC(C)C 7a_106832991798_100000210206 [2,0,0,0,0,0|1,0,1]=4 2619 B7R0.4 CCCCOC(C)C 34a_100000210227_100000210206 [2,0,0,0,0,0|1,0,1]=4 2620 B7R0.4 CCCCOC(C)C 34a_100000212225_100000210210 [2,0,0,0,0,0|1,0,1]=4 2621 B7R0.4 CCCCOC(C)C 7a_100000210227_100000210206 [2,0,0,0,0,0|1,0,1]=4 2622 B7R0.4 CCCCSC(C)C 62a_100000210206_100000210210 [2,0,0,0,0,0|1,0,1]=4 2623 B7R0.4 CCCCSC(C)C 62a_100000210211_100000210206 [2,0,0,0,0,0|1,0,1]=4 2624 B7R0.4 CCCNCC(=O)N 2230a_100000711301_100000210303 [2,0,0,0,0,0|2,0,0]=4 2625 B7R0.4 CCCNCC(=O)O 269956a_100016091260_100000210207 [2,0,0,0,0,0|1,0,0]=3 2626 B7R0.4 CCCNCC(C)C 2230a_100000210953_100000210303 [2,0,0,0,0,0|1,0,1]=4 2627 B7R0.4 CCCNCC(C)C 270004a_100020643023_100000210432 [2,0,0,0,0,0|1,0,1]=4 2628 B7R0.4 CCCNCC(C)C 34a_100000210953_100000210303 [2,0,0,0,0,0|1,0,1]=4 2629 B7R0.4 CCCNCC(C)O 2230a_100000210904_100000210303 [2,0,0,0,0,0|1,0,0]=3 2630 B7R0.4 CCCNCC(C)O 34a_100000210904_100000210303 [2,0,0,0,0,0|1,0,0]=3 2631 B7R0.4 CCCOCC(=O)C 1458a_100000745993_200000210301 [2,0,0,0,0,0|1,0,1]=4 2632 B7R0.4 CCCOCC(=O)C 34a_100000211253_100000210303 [2,0,0,0,0,0|1,0,1]=4 2633 B7R0.4 CCCOCC(=O)N 34a_100000210258_100000187820 [2,0,0,0,0,0|2,0,0]=4 2634 B7R0.4 CCCOCC(=O)[13CH3] 1458a_100000745993_200025704644 [2,0,0,0,0,0|1,0,1]=4 2635 B7R0.4 CCCOCC(=O)[O-] 34a_100000210258_100020667443 [2,0,0,0,0,0|1,0,1]=4 2636 B7R0.4 CCCOCC(C)Br 34a_100012180447_100000210303 [2,0,0,0,0,0|2,0,0]=4 2637 B7R0.4 CCCOCC(C)C 34a_100000210257_100000210303 [2,0,0,0,0,0|1,0,1]=4 2638 B7R0.4 CCCOCC(C)C 34a_100000210258_100000210624 [2,0,0,0,0,0|1,0,1]=4 2639 B7R0.4 CCCOCC(C)F 34a_100015925927_100000210303 [2,0,0,0,0,0|2,0,0]=4 2640 B7R0.4 CCCOCC(C)O 34a_100000210258_100011218427 [2,0,0,0,0,0|1,0,0]=3 2641 B7R0.4 CCCOC[C@@H](C)Cl 34a_100016084084_100000210303 [2,0,0,0,0,0|2,0,0]=4 2642 B7R0.4 CCCOC[C@@H](C)N 34a_100000737577_100000210303 [2,0,0,0,0,0|2,0,0]=4 2643 B7R0.4 CCCOC[C@@H](C)O 34a_100000210258_100009817552 [2,0,0,0,0,0|1,0,0]=3 2644 B7R0.4 CCCSCC(=O)C 1458a_100000217233_200000210301 [2,0,0,0,0,0|1,0,1]=4 2645 B7R0.4 CCCSCC(=O)N 62a_100000210303_100000747473 [2,0,0,0,0,0|2,0,0]=4 2646 B7R0.4 CCCSCC(=O)N 62a_100000747473_100000210303 [2,0,0,0,0,0|2,0,0]=4 2647 B7R0.4 CCCSCC(=O)[13CH3] 1458a_100000217233_200025704644 [2,0,0,0,0,0|1,0,1]=4 2648 B7R0.4 CCCSCC(=O)[O-] 62a_100000210303_100020667443 [2,0,0,0,0,0|1,0,1]=4 2649 B7R0.4 CCCSCC(=O)[O-] 62a_100020667443_100000210303 [2,0,0,0,0,0|1,0,1]=4 2650 B7R0.4 CCCSCC(C)C 62a_100000210303_100000210760 [2,0,0,0,0,0|1,0,1]=4 2651 B7R0.4 CCCSCC(C)C 62a_100000210624_100000210303 [2,0,0,0,0,0|1,0,1]=4 2652 B7R0.4 CCCSCC(C)O 62a_100000210303_100011218427 [2,0,0,0,0,0|1,0,0]=3 2653 B7R0.4 CCCSCC(C)O 62a_100011218427_100000210303 [2,0,0,0,0,0|1,0,0]=3 2654 B7R0.4 CCCSC[C@@H](C)O 62a_100000210303_100009817552 [2,0,0,0,0,0|1,0,0]=3 2655 B7R0.4 CCCSC[C@@H](C)O 62a_100009817552_100000210303 [2,0,0,0,0,0|1,0,0]=3 2656 B7R0.4 CCNCCC(=O)N 2230a_100015525214_100000744528 [2,0,0,0,0,0|2,0,0]=4 2657 B7R0.4 CCNCCC(C)C 2230a_100015525214_100000210312 [2,0,0,0,0,0|1,0,1]=4 2658 B7R0.4 CCNCCC(C)C 269862a_100015525214_100000185833 [2,0,0,0,0,0|1,0,1]=4 2659 B7R0.4 CCNCCC(C)O 2230a_100015525214_100012276601 [2,0,0,0,0,0|1,0,0]=3 2660 B7R0.4 CCNCCC(C)O 2230a_200000755665_100000210202 [2,0,0,0,0,0|1,0,0]=3 2661 B7R0.4 CCNOCC(=O)O 269956a_100000106656_100000210202 [2,0,0,0,0,0|2,0,0]=4 2662 B7R0.4 CCOCCC(=O)C 1458a_100000070787_100011215890 [2,0,0,0,0,0|1,0,1]=4 2663 B7R0.4 CCOCCC(=O)C 1458a_100000749530_200000210301 [2,0,0,0,0,0|1,0,1]=4 2664 B7R0.4 CCOCCC(=O)C 34a_100000759926_100000210202 [2,0,0,0,0,0|1,0,1]=4 2665 B7R0.4 CCOCCC(=O)C 7a_100000759926_100000210202 [2,0,0,0,0,0|1,0,1]=4 2666 B7R0.4 CCOCCC(=O)N 34a_100000757172_100000210202 [2,0,0,0,0,0|2,0,0]=4 2667 B7R0.4 CCOCCC(=O)N 34a_100121572206_100000731001 [2,0,0,0,0,0|2,0,0]=4 2668 B7R0.4 CCOCCC(=O)N 7a_100000757172_100000210202 [2,0,0,0,0,0|2,0,0]=4 2669 B7R0.4 CCOCCC(=O)[13CH3] 1458a_100000749530_200025704644 [2,0,0,0,0,0|1,0,1]=4 2670 B7R0.4 CCOCCC(C)Br 34a_100009893172_100000210202 [2,0,0,0,0,0|2,0,0]=4 2671 B7R0.4 CCOCCC(C)C 34a_100000210254_100000210202 [2,0,0,0,0,0|1,0,1]=4 2672 B7R0.4 CCOCCC(C)C 34a_100121572206_100000210312 [2,0,0,0,0,0|1,0,1]=4 2673 B7R0.4 CCOCCC(C)C 7a_100000210254_100000210202 [2,0,0,0,0,0|1,0,1]=4 2674 B7R0.4 CCOCCC(C)O 34a_100121572206_100012276601 [2,0,0,0,0,0|1,0,0]=3 2675 B7R0.4 CCOCC[C@@H](C)N 34a_100000706166_100000210202 [2,0,0,0,0,0|2,0,0]=4 2676 B7R0.4 CCSCCC(=O)C 1458a_100000070787_100000757381 [2,0,0,0,0,0|1,0,1]=4 2677 B7R0.4 CCSCCC(=O)C 1458a_100000230768_200000210301 [2,0,0,0,0,0|1,0,1]=4 2678 B7R0.4 CCSCCC(=O)C 62a_100000053229_100000210202 [2,0,0,0,0,0|1,0,1]=4 2679 B7R0.4 CCSCCC(=O)C 62a_100000210202_100000053229 [2,0,0,0,0,0|1,0,1]=4 2680 B7R0.4 CCSCCC(=O)N 62a_100000210202_100000744528 [2,0,0,0,0,0|2,0,0]=4 2681 B7R0.4 CCSCCC(=O)N 62a_100000744528_100000210202 [2,0,0,0,0,0|2,0,0]=4 2682 B7R0.4 CCSCCC(=O)[13CH3] 1458a_100000230768_200025704644 [2,0,0,0,0,0|1,0,1]=4 2683 B7R0.4 CCSCCC(C)C 62a_100000210202_100000210312 [2,0,0,0,0,0|1,0,1]=4 2684 B7R0.4 CCSCCC(C)C 62a_100000210312_100000210202 [2,0,0,0,0,0|1,0,1]=4 2685 B7R0.4 CCSCCC(C)O 62a_100000210202_100012276601 [2,0,0,0,0,0|1,0,0]=3 2686 B7R0.4 CCSCCC(C)O 62a_100012276601_100000210202 [2,0,0,0,0,0|1,0,0]=3 2687 B7R0.4 CNCCCC(=O)C 34a_100102657272_100000685027 [2,0,0,0,0,0|1,0,1]=4 2688 B7R0.4 CNCCCC(=O)C 7a_106832991635_100011215641 [2,0,0,0,0,0|1,0,1]=4 2689 B7R0.4 CNCCCC(=O)N 34a_100000739312_200000210301 [2,0,0,0,0,0|2,0,0]=4 2690 B7R0.4 CNCCCC(=O)N 34a_100102657272_100102525003 [2,0,0,0,0,0|2,0,0]=4 2691 B7R0.4 CNCCCC(=O)N 7a_106832991635_100102525003 [2,0,0,0,0,0|2,0,0]=4 2692 B7R0.4 CNCCCC(C)C 2230a_106832991635_100011214892 [2,0,0,0,0,0|1,0,1]=4 2693 B7R0.4 CNCCCC(C)C 2230a_200000737386_200000210301 [2,0,0,0,0,0|1,0,1]=4 2694 B7R0.4 CNCCCC(C)C 34a_100102657272_100011214892 [2,0,0,0,0,0|1,0,1]=4 2695 B7R0.4 CNCCCC(C)C 34a_200000737386_200000210301 [2,0,0,0,0,0|1,0,1]=4 2696 B7R0.4 CNCCCC(C)C 7a_106832991635_100011214892 [2,0,0,0,0,0|1,0,1]=4 2697 B7R0.4 CNCCCC(C)O 2230a_106832991635_200000718107 [2,0,0,0,0,0|1,0,0]=3 2698 B7R0.4 CNCCCC(C)O 34a_100102657272_200000718107 [2,0,0,0,0,0|1,0,0]=3 2699 B7R0.4 CNCCCC(C)O 7a_106832991635_200000718107 [2,0,0,0,0,0|1,0,0]=3 2700 B7R0.4 CNCCCS(=O)C 2230a_200000753449_200000210301 [2,0,0,0,0,0|2,0,0]=4 2701 B7R0.4 COCCCC(=O)C 1458a_100000070787_100000740836 [2,0,0,0,0,0|1,0,1]=4 2702 B7R0.4 COCCCC(=O)C 1458a_100000741012_200000210301 [2,0,0,0,0,0|1,0,1]=4 2703 B7R0.4 COCCCC(=O)C 34a_100000759063_200000210301 [2,0,0,0,0,0|1,0,1]=4 2704 B7R0.4 COCCCC(=O)C 34a_100138415774_100000685027 [2,0,0,0,0,0|1,0,1]=4 2705 B7R0.4 COCCCC(=O)C 7a_100000759063_200000210301 [2,0,0,0,0,0|1,0,1]=4 2706 B7R0.4 COCCCC(=O)N 34a_100138415774_100102525003 [2,0,0,0,0,0|2,0,0]=4 2707 B7R0.4 COCCCC(=O)[13CH3] 1458a_100000741012_200025704644 [2,0,0,0,0,0|1,0,1]=4 2708 B7R0.4 COCCCC(C)C 34a_100000210774_200000210301 [2,0,0,0,0,0|1,0,1]=4 2709 B7R0.4 COCCCC(C)C 34a_100138415774_100011214892 [2,0,0,0,0,0|1,0,1]=4 2710 B7R0.4 COCCCC(C)C 7a_100000210774_200000210301 [2,0,0,0,0,0|1,0,1]=4 2711 B7R0.4 COCCCC(C)O 34a_100138415774_200000718107 [2,0,0,0,0,0|1,0,0]=3 2712 B7R0.4 COCNCC(=O)O 269956a_100016091260_100000766300 [2,0,0,0,0,0|2,0,0]=4 2713 B7R0.4 COCNCC(C)O 2230a_100000210904_100000766300 [2,0,0,0,0,0|2,0,0]=4 2714 B7R0.4 COCSCC(C)O 62a_100000766300_100011218427 [2,0,0,0,0,0|2,0,0]=4 2715 B7R0.4 COCSCC(C)O 62a_100011218427_100000766300 [2,0,0,0,0,0|2,0,0]=4 2716 B7R0.4 COCSC[C@@H](C)O 62a_100000766300_100009817552 [2,0,0,0,0,0|2,0,0]=4 2717 B7R0.4 COCSC[C@@H](C)O 62a_100009817552_100000766300 [2,0,0,0,0,0|2,0,0]=4 2718 B7R0.4 CS(=O)CCCN[13CH3] 2230a_200000753449_200025704644 [2,0,0,0,0,0|2,0,0]=4 2719 B7R0.4 CSCCCC(=O)C 1458a_100000173376_200000210301 [2,0,0,0,0,0|1,0,1]=4 2720 B7R0.4 CSCCCC(=O)C 62a_100011215641_200000210301 [2,0,0,0,0,0|1,0,1]=4 2721 B7R0.4 CSCCCC(=O)C 62a_200000210301_100011215641 [2,0,0,0,0,0|1,0,1]=4 2722 B7R0.4 CSCCCC(=O)N 62a_100102525003_200000210301 [2,0,0,0,0,0|2,0,0]=4 2723 B7R0.4 CSCCCC(=O)N 62a_200000210301_100102525003 [2,0,0,0,0,0|2,0,0]=4 2724 B7R0.4 CSCCCC(=O)[13CH3] 1458a_100000173376_200025704644 [2,0,0,0,0,0|1,0,1]=4 2725 B7R0.4 CSCCCC(C)C 62a_100011214892_200000210301 [2,0,0,0,0,0|1,0,1]=4 2726 B7R0.4 CSCCCC(C)C 62a_200000210301_100011214892 [2,0,0,0,0,0|1,0,1]=4 2727 B7R0.4 CSCCCC(C)O 62a_200000210301_200000718107 [2,0,0,0,0,0|1,0,0]=3 2728 B7R0.4 CSCCCC(C)O 62a_200000718107_200000210301 [2,0,0,0,0,0|1,0,0]=3 2729 B7R0.4 CSCNCC(=O)O 269956a_100016091260_100011218213 [2,0,0,0,0,0|2,0,0]=4 2730 B7R0.4 CSCNCC(C)O 2230a_100000210904_100011218213 [2,0,0,0,0,0|2,0,0]=4 2731 B7R0.4 CSCNCC(C)O 34a_100000210904_100011218213 [2,0,0,0,0,0|2,0,0]=4 2732 B7R0.4 CSCSCC(C)O 62a_100011218213_100011218427 [2,0,0,0,0,0|2,0,0]=4 2733 B7R0.4 CSCSCC(C)O 62a_100011218427_100011218213 [2,0,0,0,0,0|2,0,0]=4 2734 B7R0.4 CSCSC[C@@H](C)O 62a_100009817552_100011218213 [2,0,0,0,0,0|2,0,0]=4 2735 B7R0.4 CSCSC[C@@H](C)O 62a_100011218213_100009817552 [2,0,0,0,0,0|2,0,0]=4 2736 B7R0.4 C[C@@H](O)CNCCF 34a_100000724931_100009817552 [2,0,0,0,0,0|2,0,0]=4 2737 B7R0.4 C[C@@H](O)CNCCO 2230a_100016997473_100009817552 [2,0,0,0,0,0|2,0,0]=4 2738 B7R0.4 C[C@@H](O)CNCCO 34a_100016990907_100009817552 [2,0,0,0,0,0|2,0,0]=4 2739 B7R0.4 C[C@@H](O)COCCBr 34a_100000211926_100009817552 [2,0,0,0,0,0|2,0,0]=4 2740 B7R0.4 C[C@@H](O)COCCN 34a_100000210304_100009817552 [2,0,0,0,0,0|2,0,0]=4 2741 B7R0.4 C[C@@H](O)CSCCF 62a_100009817552_100011217306 [2,0,0,0,0,0|2,0,0]=4 2742 B7R0.4 C[C@@H](O)CSCCF 62a_100011217306_100009817552 [2,0,0,0,0,0|2,0,0]=4 2743 B7R0.4 C[C@@H](O)CSCCO 62a_100000211926_100009817552 [2,0,0,0,0,0|2,0,0]=4 2744 B7R0.4 C[C@@H](O)CSCCO 62a_100009817552_100000211926 [2,0,0,0,0,0|2,0,0]=4 2745 B7R0.4 O=C(O)CNCCF 269956a_100016091260_100011217306 [2,0,0,0,0,0|2,0,0]=4 2746 B7R0.4 O=C(O)CNCCO 269956a_100016091260_100000211926 [2,0,0,0,0,0|2,0,0]=4 2747 B7R0.4 [13CH3]C(=O)CCCCO 1458a_100000695505_200025704644 [2,0,0,0,0,0|1,0,1]=4 2748 B7R0.4 [13CH3]NCCCC(=O)N 34a_100000739312_200025704644 [2,0,0,0,0,0|2,0,0]=4 2749 B7R0.4 [13CH3]SCCCC(=O)N 62a_100102525003_200025704644 [2,0,0,0,0,0|2,0,0]=4 2750 B7R0.4 [13CH3]SCCCC(=O)N 62a_200025704644_100102525003 [2,0,0,0,0,0|2,0,0]=4 2751 B7R0.5 CC(=O)C(C)CCO 1458a_100000070787_100009893172 [2,0,0,0,0,0|2,0,0]=4 2752 B7R0.5 CC(=O)C(C)CO[13CH3] 34a_100000032740_200025704644 [2,0,0,0,0,0|2,0,0]=4 2753 B7R0.5 CC(=O)C(C)CO[13CH3] 7a_100000032740_200025704644 [2,0,0,0,0,0|2,0,0]=4 2754 B7R0.5 CC(CN[13CH3])C(=O)O 269956a_100000749485_200025704644 [2,0,0,0,0,0|1,0,0]=3 2755 B7R0.5 CCCC(C)C(=O)C 1458a_100000070787_100000766640 [2,0,0,0,0,0|1,0,0]=3 2756 B7R0.5 CCCC(C)C(=O)C 1458a_100000210906_200000210301 [2,0,0,0,0,0|1,0,0]=3 2757 B7R0.5 CCCC(C)C(=O)[13CH3] 1458a_100000210906_200025704644 [2,0,0,0,0,0|1,0,0]=3 2758 B7R0.5 CCCN(C)C(=O)C 11a_100000747261_100015343762 [2,0,0,0,0,0|2,0,0]=4 2759 B7R0.5 CCCN(C)C(=O)C 1626a_100000747261_100015343762 [2,0,0,0,0,0|2,0,0]=4 2760 B7R0.5 CCCN(C)C(=O)C 240690a_100000747261_100015343762 [2,0,0,0,0,0|2,0,0]=4 2761 B7R0.5 CCCN(C)C(=O)C 527a_100000747261_100103153847 [2,0,0,0,0,0|2,0,0]=4 2762 B7R0.5 CCC[C@H](O)C(=O)C 1458a_100009822183_200000210301 [2,0,0,0,0,0|2,0,0]=4 2763 B7R0.5 CCC[C@H](O)C(=O)[13CH3] 1458a_100009822183_200025704644 [2,0,0,0,0,0|2,0,0]=4 2764 B7R0.5 CCNC(C)C(=O)C 2230a_100015525214_100009814033 [2,0,0,0,0,0|2,0,0]=4 2765 B7R0.5 CCNC(C)C(=O)N 2230a_100015525214_100000702099 [2,0,0,0,0,0|2,0,0]=4 2766 B7R0.5 CCN[C@@H](C)C(=O)O 269956a_100000743915_100000210202 [2,0,0,0,0,0|1,0,0]=3 2767 B7R0.5 CCN[C@H](C)C(=O)N 2230a_100000119354_100000210202 [2,0,0,0,0,0|2,0,0]=4 2768 B7R0.5 CCN[C@H](C)C(=O)N 34a_100000119354_100000210202 [2,0,0,0,0,0|2,0,0]=4 2769 B7R0.5 CCOC(C)C(=O)C 1458a_100000739345_200000210301 [2,0,0,0,0,0|2,0,0]=4 2770 B7R0.5 CCOC(C)C(=O)C 34a_100000212229_100000210202 [2,0,0,0,0,0|2,0,0]=4 2771 B7R0.5 CCOC(C)C(=O)N 34a_100121572206_100000702099 [2,0,0,0,0,0|2,0,0]=4 2772 B7R0.5 CCOC(C)C(=O)[13CH3] 1458a_100000739345_200025704644 [2,0,0,0,0,0|2,0,0]=4 2773 B7R0.5 CCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210202 [2,0,0,0,0,0|1,0,1]=4 2774 B7R0.5 CCO[C@H](C)C(=O)N 34a_100000731257_100000210202 [2,0,0,0,0,0|2,0,0]=4 2775 B7R0.5 CCO[C@H](C)C(=O)N 7a_100000731257_100000210202 [2,0,0,0,0,0|2,0,0]=4 2776 B7R0.5 CCSC(C)C(=O)C 1458a_100000230601_200000210301 [2,0,0,0,0,0|2,0,0]=4 2777 B7R0.5 CCSC(C)C(=O)C 62a_100000210202_100009814033 [2,0,0,0,0,0|2,0,0]=4 2778 B7R0.5 CCSC(C)C(=O)C 62a_100009814033_100000210202 [2,0,0,0,0,0|2,0,0]=4 2779 B7R0.5 CCSC(C)C(=O)N 62a_100000210202_100000702099 [2,0,0,0,0,0|2,0,0]=4 2780 B7R0.5 CCSC(C)C(=O)N 62a_100000702099_100000210202 [2,0,0,0,0,0|2,0,0]=4 2781 B7R0.5 CCSC(C)C(=O)[13CH3] 1458a_100000230601_200025704644 [2,0,0,0,0,0|2,0,0]=4 2782 B7R0.5 CNCC(C)C(=O)O 269956a_100000749485_200000210301 [2,0,0,0,0,0|1,0,0]=3 2783 B7R0.5 CNCC(F)C(=O)O 269956a_100000084737_200000210301 [2,0,0,0,0,0|2,0,0]=4 2784 B7R0.5 COCC(C)C(=O)C 1458a_100000070787_100000765312 [2,0,0,0,0,0|2,0,0]=4 2785 B7R0.5 COCC(C)C(=O)C 1458a_100000751857_200000210301 [2,0,0,0,0,0|2,0,0]=4 2786 B7R0.5 COCC(C)C(=O)C 34a_100000032740_200000210301 [2,0,0,0,0,0|2,0,0]=4 2787 B7R0.5 COCC(C)C(=O)C 7a_100000032740_200000210301 [2,0,0,0,0,0|2,0,0]=4 2788 B7R0.5 COCC(C)C(=O)[13CH3] 1458a_100000751857_200025704644 [2,0,0,0,0,0|2,0,0]=4 2789 B7R0.5 CSCC(C)C(=O)C 1458a_100000753918_200000210301 [2,0,0,0,0,0|2,0,0]=4 2790 B7R0.5 CSCC(C)C(=O)[13CH3] 1458a_100000753918_200025704644 [2,0,0,0,0,0|2,0,0]=4 2791 B7R0.5 C[C@H](NCF)C(=O)O 269956a_100000743915_100015361967 [2,0,0,0,0,0|2,0,0]=4 2792 B7R0.5 [13CH3]NCC(F)C(=O)O 269956a_100000084737_200025704644 [2,0,0,0,0,0|2,0,0]=4 2793 B9R0.1 C=CC(C)COCC(C)C 34a_100011215527_100000210624 [1,1,0,0,0,0|2,0,0]=4 2794 B9R0.1 C=CC(C)COCC(C)C 7a_100011215527_100000210760 [1,1,0,0,0,0|2,0,0]=4 2795 B9R0.1 C=CC(C)COCC(C)O 34a_100011215527_100011218427 [1,1,0,0,0,0|2,0,0]=4 2796 B9R0.1 C=CC(C)COCC(C)O 7a_100011215527_100011218427 [1,1,0,0,0,0|2,0,0]=4 2797 B9R0.1 C=CC(C)COC[C@@H](C)O 34a_100011215527_100009817552 [1,1,0,0,0,0|2,0,0]=4 2798 B9R0.1 C=CC(C)COC[C@@H](C)O 7a_100011215527_100009817552 [1,1,0,0,0,0|2,0,0]=4 2799 B9R0.1 C=CC(C)OCCC(C)C 34a_100000695699_100000210312 [1,1,0,0,0,0|2,0,0]=4 2800 B9R0.1 C=CC(C)OCCC(C)O 34a_100000695699_100012276601 [1,1,0,0,0,0|2,0,0]=4 2801 B9R0.1 C=CC(C)SCCC(C)C 62a_100011215867_100000210312 [1,1,0,0,0,0|2,0,0]=4 2802 B9R0.1 C=CC(C)SCCC(C)O 62a_100011215867_100012276601 [1,1,0,0,0,0|2,0,0]=4 2803 B9R0.1 CC(Br)CCOC(C)CO 34a_100009893172_100012180447 [1,1,0,0,0,0|1,0,1]=4 2804 B9R0.1 CC(Br)COC[C@@H](C)CO 34a_100012180447_100000059175 [1,1,0,0,0,0|1,0,1]=4 2805 B9R0.1 CC(C)CCCC(C)N[13CH3] 2230a_100000210607_200025704644 [1,1,0,0,0,0|2,0,0]=4 2806 B9R0.1 CC(C)CCCC(C)O[13CH3] 34a_200011218570_200025704644 [1,1,0,0,0,0|2,0,0]=4 2807 B9R0.1 CC(C)CCCC(C)O[13CH3] 7a_200011218570_200025704644 [1,1,0,0,0,0|2,0,0]=4 2808 B9R0.1 CC(C)CCN[C@H](C)CO 2230a_100000737577_100000210312 [1,1,0,0,0,0|1,0,1]=4 2809 B9R0.1 CC(C)CCN[C@H](C)CO 269862a_100000737577_100000185833 [1,1,0,0,0,0|1,0,1]=4 2810 B9R0.1 CC(C)CCOC(C)CO 34a_100000210254_100012180447 [1,1,0,0,0,0|1,0,1]=4 2811 B9R0.1 CC(C)CCOC(C)CO 7a_100000210254_100012180447 [1,1,0,0,0,0|1,0,1]=4 2812 B9R0.1 CC(C)CCSC(C)CO 62a_100012180447_100000210312 [1,1,0,0,0,0|1,0,1]=4 2813 B9R0.1 CC(C)CCS[C@H](C)CO 62a_100000210312_100016084084 [1,1,0,0,0,0|1,0,1]=4 2814 B9R0.1 CC(C)CCS[C@H](C)CO 62a_100016084084_100000210312 [1,1,0,0,0,0|1,0,1]=4 2815 B9R0.1 CC(C)CNCC(C)CO 34a_100000744482_100000210624 [1,1,0,0,0,0|1,0,1]=4 2816 B9R0.1 CC(C)CNC[C@@H](C)CO 2230a_100000210953_100000059175 [1,1,0,0,0,0|1,0,1]=4 2817 B9R0.1 CC(C)CNC[C@@H](C)CO 34a_100000210953_100000059175 [1,1,0,0,0,0|1,0,1]=4 2818 B9R0.1 CC(C)COC[C@@H](C)CO 34a_100000210257_100000059175 [1,1,0,0,0,0|1,0,1]=4 2819 B9R0.1 CC(C)CSC[C@@H](C)CO 62a_100000059175_100000210760 [1,1,0,0,0,0|1,0,1]=4 2820 B9R0.1 CC(C)CSC[C@@H](C)CO 62a_100000210624_100000059175 [1,1,0,0,0,0|1,0,1]=4 2821 B9R0.1 CC(CO)CCNC(C)C 2230a_106354213184_100000210206 [1,1,0,0,0,0|1,0,1]=4 2822 B9R0.1 CC(CO)CCNC(C)C 34a_106354213184_100000210206 [1,1,0,0,0,0|1,0,1]=4 2823 B9R0.1 CC(CO)CNC[C@@H](C)O 34a_100000744482_100009817552 [1,1,0,0,0,0|1,0,1]=4 2824 B9R0.1 CC(CO)OCC[C@@H](C)N 34a_100000706166_100012180447 [1,1,0,0,0,0|1,0,1]=4 2825 B9R0.1 CC(F)COC[C@@H](C)CO 34a_100015925927_100000059175 [1,1,0,0,0,0|1,0,1]=4 2826 B9R0.1 CC(O)CCNC(C)CO 2230a_200000755665_100012180447 [1,1,0,0,0,0|1,0,1]=4 2827 B9R0.1 CC(O)CCN[C@H](C)CO 2230a_100000737577_100012276601 [1,1,0,0,0,0|1,0,1]=4 2828 B9R0.1 CC(O)CCSC(C)CO 62a_100012180447_100012276601 [1,1,0,0,0,0|1,0,1]=4 2829 B9R0.1 CC(O)CCS[C@H](C)CO 62a_100012276601_100016084084 [1,1,0,0,0,0|1,0,1]=4 2830 B9R0.1 CC(O)CCS[C@H](C)CO 62a_100016084084_100012276601 [1,1,0,0,0,0|1,0,1]=4 2831 B9R0.1 CC(O)CNCC(C)CO 34a_100000744482_100011218427 [1,1,0,0,0,0|1,0,1]=4 2832 B9R0.1 CC(O)CNC[C@@H](C)CO 2230a_100000210904_100000059175 [1,1,0,0,0,0|1,0,1]=4 2833 B9R0.1 CC(O)CNC[C@@H](C)CO 34a_100000210904_100000059175 [1,1,0,0,0,0|1,0,1]=4 2834 B9R0.1 CC(O)CSC[C@@H](C)CO 62a_100000059175_100011218427 [1,1,0,0,0,0|1,0,1]=4 2835 B9R0.1 CC(O)CSC[C@@H](C)CO 62a_100011218427_100000059175 [1,1,0,0,0,0|1,0,1]=4 2836 B9R0.1 CNC(C)CCCC(C)C 2230a_100000210607_200000210301 [1,1,0,0,0,0|2,0,0]=4 2837 B9R0.1 CNC(C)CCCC(C)C 270004a_106832991635_100000753411 [1,1,0,0,0,0|2,0,0]=4 2838 B9R0.1 COC(C)CCCC(C)C 34a_200011218570_200000210301 [1,1,0,0,0,0|2,0,0]=4 2839 B9R0.1 COC(C)CCCC(C)C 7a_200011218570_200000210301 [1,1,0,0,0,0|2,0,0]=4 2840 B9R0.1 C[C@@H](CO)COC[C@@H](C)Cl 34a_100016084084_100000059175 [1,1,0,0,0,0|1,0,1]=4 2841 B9R0.1 C[C@@H](CO)COC[C@@H](C)N 34a_100000737577_100000059175 [1,1,0,0,0,0|1,0,1]=4 2842 B9R0.1 C[C@@H](CO)CSC[C@@H](C)O 62a_100000059175_100009817552 [1,1,0,0,0,0|1,0,1]=4 2843 B9R0.1 C[C@@H](CO)CSC[C@@H](C)O 62a_100009817552_100000059175 [1,1,0,0,0,0|1,0,1]=4 2844 B9R0.5 C/C=C/C(C)OCCCC 34a_200102604097_100000210210 [1,1,0,0,0,0|2,0,0]=4 2845 B9R0.5 C=CCC(C)COCCC 34a_100009832082_100000210303 [1,1,0,0,0,0|2,0,0]=4 2846 B9R0.5 C=CCC(C)COCCC 7a_100009832082_100000210303 [1,1,0,0,0,0|2,0,0]=4 2847 B9R0.5 C=CCN(C)CCCCC 2230a_100000223495_100000210623 [1,1,0,0,0,0|2,0,0]=4 2848 B9R0.5 C=CCN(C)CCCCC 2230a_100000225617_100000210326 [1,1,0,0,0,0|2,0,0]=4 2849 B9R0.5 C=CCN(C)CCCCC 269982a_100000223495_100000210623 [1,1,0,0,0,0|2,0,0]=4 2850 B9R0.5 C=CCN(C)CCCCC 269982a_100000225617_100000210215 [1,1,0,0,0,0|2,0,0]=4 2851 B9R0.5 C=CC[C@@H](C)OCCCC 34a_100000731007_100000210210 [1,1,0,0,0,0|2,0,0]=4 2852 B9R0.5 C=CC[C@@H](C)OCCCC 7a_100000731007_100000210211 [1,1,0,0,0,0|2,0,0]=4 2853 B9R0.5 CCCCCC(C)NCC 2230a_100000211957_100000210202 [1,1,0,0,0,0|1,0,1]=4 2854 B9R0.5 CCCCCC(C)NCC 2230a_100015525214_200011218191 [1,1,0,0,0,0|1,0,1]=4 2855 B9R0.5 CCCCCC(C)NCC 270004a_100015525214_100000211708 [1,1,0,0,0,0|1,0,1]=4 2856 B9R0.5 CCCCCC(C)OCC 34a_100011215632_100000210202 [1,1,0,0,0,0|1,0,1]=4 2857 B9R0.5 CCCCCC(C)OCC 34a_100121572206_200011218191 [1,1,0,0,0,0|1,0,1]=4 2858 B9R0.5 CCCCCC(C)OCC 7a_100011215632_100000210202 [1,1,0,0,0,0|1,0,1]=4 2859 B9R0.5 CCCCCC(C)OCF 34a_100011215632_100015361967 [1,1,0,0,0,0|1,0,1]=4 2860 B9R0.5 CCCCCC(C)OCF 7a_100011215632_100015361967 [1,1,0,0,0,0|1,0,1]=4 2861 B9R0.5 CCCCCC(C)SCC 62a_100000210202_200011218191 [1,1,0,0,0,0|1,0,1]=4 2862 B9R0.5 CCCCCC(C)SCC 62a_200011218191_100000210202 [1,1,0,0,0,0|1,0,1]=4 2863 B9R0.5 CCCCCC(C)SCF 62a_100015361967_200011218191 [1,1,0,0,0,0|1,0,1]=4 2864 B9R0.5 CCCCCC(C)SCF 62a_200011218191_100015361967 [1,1,0,0,0,0|1,0,1]=4 2865 B9R0.5 CCCCCN(C)CC=O 2230a_100000223495_200015260668 [1,1,0,0,0,0|1,0,0]=3 2866 B9R0.5 CCCCCN(C)CC=O 269982a_100000223495_200015260668 [1,1,0,0,0,0|1,0,0]=3 2867 B9R0.5 CCCCCN(C)CCO 2230a_100000210263_100000210326 [1,1,0,0,0,0|1,0,1]=4 2868 B9R0.5 CCCCCN(C)CCO 2230a_100000223495_100000211926 [1,1,0,0,0,0|1,0,1]=4 2869 B9R0.5 CCCCCN(C)CCO 2230a_100000224656_200000210301 [1,1,0,0,0,0|1,0,1]=4 2870 B9R0.5 CCCCCN(C)CCO 269982a_100000210263_100000210215 [1,1,0,0,0,0|1,0,1]=4 2871 B9R0.5 CCCCCN(C)CCO 269982a_100000223495_100000211926 [1,1,0,0,0,0|1,0,1]=4 2872 B9R0.5 CCCCCN(C)CCO 269982a_100000224656_200000210301 [1,1,0,0,0,0|1,0,1]=4 2873 B9R0.5 CCCCCN(C)COC 2230a_100000223495_100000766300 [1,1,0,0,0,0|1,0,1]=4 2874 B9R0.5 CCCCCN(C)COC 269982a_100000223495_100000766300 [1,1,0,0,0,0|1,0,1]=4 2875 B9R0.5 CCCCCN([13CH3])CCO 2230a_100000224656_200025704644 [1,1,0,0,0,0|1,0,1]=4 2876 B9R0.5 CCCCCN([13CH3])CCO 269982a_100000224656_200025704644 [1,1,0,0,0,0|1,0,1]=4 2877 B9R0.5 CCCCNC(C)CCO 2230a_100000102301_100009893172 [1,1,0,0,0,0|1,0,1]=4 2878 B9R0.5 CCCCNC(C)CCO 7a_106832991798_100009893172 [1,1,0,0,0,0|1,0,1]=4 2879 B9R0.5 CCCCNC(C)COC 2230a_100000102301_100000765312 [1,1,0,0,0,0|1,0,1]=4 2880 B9R0.5 CCCCNC(C)COC 270004a_100000102301_100000749346 [1,1,0,0,0,0|1,0,1]=4 2881 B9R0.5 CCCCNC(C)COC 7a_106832991798_100000765312 [1,1,0,0,0,0|1,0,1]=4 2882 B9R0.5 CCCCN[C@H](C)CCO 2230a_100000706166_100000210211 [1,1,0,0,0,0|1,0,1]=4 2883 B9R0.5 CCCCN[C@H](C)CCO 34a_100000706166_100000210210 [1,1,0,0,0,0|1,0,1]=4 2884 B9R0.5 CCCCN[C@H](C)COC 2230a_100000764878_100000210211 [1,1,0,0,0,0|1,0,1]=4 2885 B9R0.5 CCCCOC(C)CCO 34a_100000210227_100009893172 [1,1,0,0,0,0|1,0,1]=4 2886 B9R0.5 CCCCOC(C)CCO 7a_100000210227_100009893172 [1,1,0,0,0,0|1,0,1]=4 2887 B9R0.5 CCCCOC(C)COC 34a_100000210227_100000765312 [1,1,0,0,0,0|1,0,1]=4 2888 B9R0.5 CCCCOC(C)COC 7a_100000210227_100000765312 [1,1,0,0,0,0|1,0,1]=4 2889 B9R0.5 CCCCO[C@H](C)COC 34a_100011934205_100000210210 [1,1,0,0,0,0|1,0,1]=4 2890 B9R0.5 CCCCSC(C)CCO 62a_100000210211_100009893172 [1,1,0,0,0,0|1,0,1]=4 2891 B9R0.5 CCCCSC(C)CCO 62a_100009893172_100000210210 [1,1,0,0,0,0|1,0,1]=4 2892 B9R0.5 CCCCSC(C)COC 62a_100000210211_100000765312 [1,1,0,0,0,0|1,0,1]=4 2893 B9R0.5 CCCCSC(C)COC 62a_100000765312_100000210210 [1,1,0,0,0,0|1,0,1]=4 2894 B9R0.5 CN(CC=O)CCCCO 2230a_100000717598_200015260668 [1,1,0,0,0,0|2,0,0]=4 2895 B9R0.5 CN(CC=O)CCCCO 269982a_100000717598_200015260668 [1,1,0,0,0,0|2,0,0]=4 2896 B9R0.5 COCCCN(C)CC=O 2230a_100000224831_200015260668 [1,1,0,0,0,0|2,0,0]=4 2897 B9R0.5 COCCCN(C)CC=O 269982a_100000224831_200015260668 [1,1,0,0,0,0|2,0,0]=4 2898 B9R0.8 C=CC(C)C(=O)CCCC 1458a_100011216780_100000210211 [1,1,0,0,0,0|1,0,1]=4 2899 B9R0.8 C=CC(C)N(C)CCCC 269982a_100000207549_100011215867 [1,1,0,0,0,0|2,0,0]=4 2900 B9R0.8 C=C[C@@H](C)[C@@H](C)OCCC 34a_100015455354_100000210303 [1,1,0,0,0,0|2,0,0]=4 2901 B9R0.8 C=C[C@@H](C)[C@@H](C)OCCC 7a_100015455354_100000210303 [1,1,0,0,0,0|2,0,0]=4 2902 B9R0.8 CCCCN(C)C(C)CO 2230a_100000207549_100012180447 [1,1,0,0,0,0|1,0,1]=4 2903 B9R0.8 CCCCN(C)C(C)CO 2230a_100000693034_100000210211 [1,1,0,0,0,0|1,0,1]=4 2904 B9R0.8 CCCCN(C)C(C)CO 269982a_100000693034_100000210211 [1,1,0,0,0,0|1,0,1]=4 2905 B9R0.8 CCCCN(C)[C@H](C)CO 269982a_100000207549_100016084084 [1,1,0,0,0,0|1,0,1]=4 2906 B9R0.20 C=CC(C)(C)OCCCC 34a_100011215311_100000210210 [1,1,0,0,0,0|2,0,0]=4 2907 B9R0.20 C=CC(C)(C)OCCCC 7a_100011215311_100000210211 [1,1,0,0,0,0|2,0,0]=4 2908 B9R0.20 CC(C)(CO)CCCN[13CH3] 2230a_100000039164_200025704644 [1,1,0,0,0,0|1,0,1]=4 2909 B9R0.20 CCCCNC(C)(C)CO 2230a_100000210608_100000210211 [1,1,0,0,0,0|1,0,1]=4 2910 B9R0.20 CCCNCC(C)(C)CO 2230a_100020635058_100000210303 [1,1,0,0,0,0|1,0,1]=4 2911 B9R0.20 CCCOCC(C)(C)CO 34a_100000210258_100009813988 [1,1,0,0,0,0|1,0,1]=4 2912 B9R0.20 CCCSCC(C)(C)CO 62a_100000210303_100009813988 [1,1,0,0,0,0|1,0,1]=4 2913 B9R0.20 CCCSCC(C)(C)CO 62a_100009813988_100000210303 [1,1,0,0,0,0|1,0,1]=4 2914 B9R0.20 CNCCCC(C)(C)CO 2230a_100000039164_200000210301 [1,1,0,0,0,0|1,0,1]=4 2915 B9R0.24 C=CC(C)COC(C)CC 34a_100011215527_100011215416 [1,1,0,0,0,0|2,0,0]=4 2916 B9R0.24 C=CC(C)COC(C)CC 7a_100011215527_100000758301 [1,1,0,0,0,0|2,0,0]=4 2917 B9R0.24 C=CC(C)OCC(C)CC 34a_100000695699_100000748023 [1,1,0,0,0,0|2,0,0]=4 2918 B9R0.24 C=CC(C)OCC(O)CC 34a_100000695699_100011218378 [1,1,0,0,0,0|2,0,0]=4 2919 B9R0.24 C=CC(C)OC[C@@H](C)CC 34a_100000695699_100009816398 [1,1,0,0,0,0|2,0,0]=4 2920 B9R0.24 C=CC(C)SCC(C)CC 62a_100011215867_100000748023 [1,1,0,0,0,0|2,0,0]=4 2921 B9R0.24 C=CC(C)SCC(O)CC 62a_100011215867_100011218378 [1,1,0,0,0,0|2,0,0]=4 2922 B9R0.24 C=CC(C)SC[C@@H](C)CC 62a_100011215867_100009816398 [1,1,0,0,0,0|2,0,0]=4 2923 B9R0.24 CCC(C)CCC(C)OC 7a_200011216552_200000210301 [1,1,0,0,0,0|2,0,0]=4 2924 B9R0.24 CCC(C)CCC(C)O[13CH3] 7a_200011216552_200025704644 [1,1,0,0,0,0|2,0,0]=4 2925 B9R0.24 CCC(C)CNC(C)CO 2230a_100020588543_100012180447 [1,1,0,0,0,0|1,0,1]=4 2926 B9R0.24 CCC(C)CN[C@H](C)CO 2230a_100000737577_100000748023 [1,1,0,0,0,0|1,0,1]=4 2927 B9R0.24 CCC(C)CN[C@H](C)CO 270004a_100000737577_100000243153 [1,1,0,0,0,0|1,0,1]=4 2928 B9R0.24 CCC(C)CSC(C)CO 62a_100012180447_100000748023 [1,1,0,0,0,0|1,0,1]=4 2929 B9R0.24 CCC(C)CS[C@H](C)CO 62a_100000748023_100016084084 [1,1,0,0,0,0|1,0,1]=4 2930 B9R0.24 CCC(C)CS[C@H](C)CO 62a_100016084084_100000748023 [1,1,0,0,0,0|1,0,1]=4 2931 B9R0.24 CCC(C)NCC(C)CO 34a_100000744482_100011215416 [1,1,0,0,0,0|1,0,1]=4 2932 B9R0.24 CCC(C)NC[C@@H](C)CO 2230a_100000209981_100000059175 [1,1,0,0,0,0|1,0,1]=4 2933 B9R0.24 CCC(C)OC[C@@H](C)CO 7a_100000210228_100000059175 [1,1,0,0,0,0|1,0,1]=4 2934 B9R0.24 CCC(C)SC[C@@H](C)CO 62a_100000059175_100000758301 [1,1,0,0,0,0|1,0,1]=4 2935 B9R0.24 CCC(C)SC[C@@H](C)CO 62a_100000758301_100000059175 [1,1,0,0,0,0|1,0,1]=4 2936 B9R0.24 CCC(O)CNC(C)CO 2230a_100011218483_100012180447 [1,1,0,0,0,0|1,0,1]=4 2937 B9R0.24 CCC(O)CN[C@H](C)CO 2230a_100000737577_100011218378 [1,1,0,0,0,0|1,0,1]=4 2938 B9R0.24 CCC(O)CSC(C)CO 62a_100012180447_100011218378 [1,1,0,0,0,0|1,0,1]=4 2939 B9R0.24 CCC(O)CS[C@H](C)CO 62a_100011218378_100016084084 [1,1,0,0,0,0|1,0,1]=4 2940 B9R0.24 CCC(O)CS[C@H](C)CO 62a_100016084084_100011218378 [1,1,0,0,0,0|1,0,1]=4 2941 B9R0.24 CC[C@H](C)CN[C@H](C)CO 2230a_100000737577_100009816398 [1,1,0,0,0,0|1,0,1]=4 2942 B9R0.24 CC[C@H](C)COC(C)CO 7a_100009816381_100012180447 [1,1,0,0,0,0|1,0,1]=4 2943 B9R0.24 CC[C@H](C)CSC(C)CO 62a_100012180447_100009816398 [1,1,0,0,0,0|1,0,1]=4 2944 B9R0.24 CC[C@H](C)CS[C@H](C)CO 62a_100009816398_100016084084 [1,1,0,0,0,0|1,0,1]=4 2945 B9R0.24 CC[C@H](C)CS[C@H](C)CO 62a_100016084084_100009816398 [1,1,0,0,0,0|1,0,1]=4 2946 B9R0.34 C=CC(C)CC(=O)CCC 1458a_100011934298_100000210303 [1,1,0,0,0,0|1,0,1]=4 2947 B9R0.34 C=CC(C)OC(C)CCC 34a_100000695699_100000766640 [1,1,0,0,0,0|2,0,0]=4 2948 B9R0.34 C=CC(C)SC(C)CCC 62a_100011215867_100000766640 [1,1,0,0,0,0|2,0,0]=4 2949 B9R0.34 CCCC(=O)C[C@@H](C)CO 1458a_100000211992_100000059175 [1,1,0,0,0,0|0,0,2]=4 2950 B9R0.34 CCCC(C)NC(C)CO 2230a_100000741246_100012180447 [1,1,0,0,0,0|1,0,1]=4 2951 B9R0.34 CCCC(C)N[C@H](C)CO 2230a_100000737577_100000766640 [1,1,0,0,0,0|1,0,1]=4 2952 B9R0.34 CCCC(C)N[C@H](C)CO 270004a_100000737577_100000211909 [1,1,0,0,0,0|1,0,1]=4 2953 B9R0.34 CCCC(C)OC(C)CO 34a_100000764384_100012180447 [1,1,0,0,0,0|1,0,1]=4 2954 B9R0.34 CCCC(C)OC(C)CO 7a_100000764384_100012180447 [1,1,0,0,0,0|1,0,1]=4 2955 B9R0.34 CCCC(C)SC(C)CO 62a_100012180447_100000766640 [1,1,0,0,0,0|1,0,1]=4 2956 B9R0.34 CCCC(C)S[C@H](C)CO 62a_100000766640_100016084084 [1,1,0,0,0,0|1,0,1]=4 2957 B9R0.34 CCCC(C)S[C@H](C)CO 62a_100016084084_100000766640 [1,1,0,0,0,0|1,0,1]=4 2958 B9R0.34 CCCN(C)C[C@@H](C)CO 2230a_100000747261_100000059175 [1,1,0,0,0,0|1,0,1]=4 2959 B9R0.34 CCCN(C)C[C@@H](C)CO 269982a_100000747261_100000059175 [1,1,0,0,0,0|1,0,1]=4 2960 B9R0.46 C#CC(C)NCCCCC 2230a_100000707721_100000210326 [1,1,0,0,0,0|1,0,1]=4 2961 B9R0.46 C#CC(C)NCCCCC 34a_100000707721_100000718602 [1,1,0,0,0,0|1,0,1]=4 2962 B9R0.46 C#CC(C)OCCCCC 34a_100000210253_200000035995 [1,1,0,0,0,0|1,0,1]=4 2963 B9R0.46 C#CC(C)SCCCCC 62a_200000035995_100000210326 [1,1,0,0,0,0|1,0,1]=4 2964 B9R0.46 C#C[C@@H](C)OCCCCC 34a_100009815206_100000718602 [1,1,0,0,0,0|1,0,1]=4 2965 B9R0.46 C#C[C@@H](C)OCCCCC 7a_100009815206_100000210326 [1,1,0,0,0,0|1,0,1]=4 2966 B9R0.46 C=CC(C)COCCCC 34a_100011215527_100000210210 [1,1,0,0,0,0|1,0,0]=3 2967 B9R0.46 C=CC(C)COCCCC 7a_100011215527_100000210211 [1,1,0,0,0,0|1,0,0]=3 2968 B9R0.46 C=CC(C)COCCCF 34a_100011215527_100011934791 [1,1,0,0,0,0|2,0,0]=4 2969 B9R0.46 C=CC(C)COCCCF 7a_100011215527_100011934791 [1,1,0,0,0,0|2,0,0]=4 2970 B9R0.46 C=CC(C)COCCCO 34a_100011215527_100000230001 [1,1,0,0,0,0|2,0,0]=4 2971 B9R0.46 C=CC(C)COCCCO 7a_100011215527_100011215043 [1,1,0,0,0,0|2,0,0]=4 2972 B9R0.46 C=CC(C)COCCOC 34a_100011215527_100011201679 [1,1,0,0,0,0|2,0,0]=4 2973 B9R0.46 C=CC(C)COCCOC 7a_100011215527_100000233755 [1,1,0,0,0,0|2,0,0]=4 2974 B9R0.46 C=CC(C)COCCSC 34a_100011215527_100000212216 [1,1,0,0,0,0|2,0,0]=4 2975 B9R0.46 C=CC(C)COCCSC 7a_100011215527_100000212216 [1,1,0,0,0,0|2,0,0]=4 2976 B9R0.46 C=CC(C)OCCCCC 34a_100000695699_100000718602 [1,1,0,0,0,0|1,0,0]=3 2977 B9R0.46 C=CC(C)OCCCCF 34a_100000695699_100000729493 [1,1,0,0,0,0|2,0,0]=4 2978 B9R0.46 C=CC(C)OCCCCO 34a_100000695699_100011216708 [1,1,0,0,0,0|2,0,0]=4 2979 B9R0.46 C=CC(C)OCCCOC 34a_100000695699_100000740836 [1,1,0,0,0,0|2,0,0]=4 2980 B9R0.46 C=CC(C)OCCOCC 34a_100000695699_100000210147 [1,1,0,0,0,0|2,0,0]=4 2981 B9R0.46 C=CC(C)OCCSCC 34a_100000695699_100000757381 [1,1,0,0,0,0|2,0,0]=4 2982 B9R0.46 C=CC(C)SCCCCC 62a_100011215867_100000210326 [1,1,0,0,0,0|1,0,0]=3 2983 B9R0.46 C=CC(C)SCCCCF 62a_100011215867_100000729493 [1,1,0,0,0,0|2,0,0]=4 2984 B9R0.46 C=CC(C)SCCCCO 62a_100011215867_100000210776 [1,1,0,0,0,0|2,0,0]=4 2985 B9R0.46 C=CC(C)SCCCOC 62a_100011215867_100000709357 [1,1,0,0,0,0|2,0,0]=4 2986 B9R0.46 C=CC(C)SCCOCC 62a_100011215867_100011215890 [1,1,0,0,0,0|2,0,0]=4 2987 B9R0.46 C=CC(C)SCCSCC 62a_100011215867_100000757381 [1,1,0,0,0,0|2,0,0]=4 2988 B9R0.46 C=CC(O)CNCCCC 2230a_100000102301_100000730141 [1,1,0,0,0,0|2,0,0]=4 2989 B9R0.46 C=CC(O)CNCCCC 7a_106832991798_100000730141 [1,1,0,0,0,0|2,0,0]=4 2990 B9R0.46 C=CC(O)COCCCC 34a_100000210227_100000730141 [1,1,0,0,0,0|2,0,0]=4 2991 B9R0.46 C=CC(O)COCCCC 7a_100000210227_100000730141 [1,1,0,0,0,0|2,0,0]=4 2992 B9R0.46 C=CC(O)CSCCCC 62a_100000210211_100000730141 [1,1,0,0,0,0|2,0,0]=4 2993 B9R0.46 C=CC(O)CSCCCC 62a_100000730141_100000210210 [1,1,0,0,0,0|2,0,0]=4 2994 B9R0.46 C=C[C@H](N)COCCCC 34a_100016989147_100000210210 [1,1,0,0,0,0|2,0,0]=4 2995 B9R0.46 CC(CO)CCNCCF 2230a_106354213184_100011217306 [1,1,0,0,0,0|1,0,1]=4 2996 B9R0.46 CC(CO)CCNCCF 34a_106354213184_100011217306 [1,1,0,0,0,0|1,0,1]=4 2997 B9R0.46 CC(CO)CCNCCO 2230a_106354213184_100000211926 [1,1,0,0,0,0|1,0,1]=4 2998 B9R0.46 CC(CO)CCNCCO 34a_106354213184_100000211926 [1,1,0,0,0,0|1,0,1]=4 2999 B9R0.46 CC(CO)CNCCCF 34a_100000744482_100011934791 [1,1,0,0,0,0|1,0,1]=4 3000 B9R0.46 CC(CO)CNCCCO 34a_100000744482_100000230001 [1,1,0,0,0,0|1,0,1]=4 3001 B9R0.46 CC(CO)NCCCCO 2230a_100000750430_100012180447 [1,1,0,0,0,0|1,0,1]=4 3002 B9R0.46 CC(CO)NCCCCO 34a_100000750430_100012180447 [1,1,0,0,0,0|1,0,1]=4 3003 B9R0.46 CC(CO)OCCCCBr 34a_100011216708_100012180447 [1,1,0,0,0,0|1,0,1]=4 3004 B9R0.46 CC(CO)OCCCCCl 34a_100000210776_100012180447 [1,1,0,0,0,0|1,0,1]=4 3005 B9R0.46 CC(CO)OCCCCCl 7a_100000210776_100012180447 [1,1,0,0,0,0|1,0,1]=4 3006 B9R0.46 CC(CO)OCCCCF 34a_100011995726_100012180447 [1,1,0,0,0,0|1,0,1]=4 3007 B9R0.46 CC(CO)OCCCCF 7a_100011995726_100012180447 [1,1,0,0,0,0|1,0,1]=4 3008 B9R0.46 CC(CO)OCCCCI 34a_200012148704_100012180447 [1,1,0,0,0,0|1,0,1]=4 3009 B9R0.46 CC(CO)OCCCCN 34a_100000750430_100012180447 [1,1,0,0,0,0|1,0,1]=4 3010 B9R0.46 CC(CO)SCCCCF 62a_100012180447_100000729493 [1,1,0,0,0,0|1,0,1]=4 3011 B9R0.46 CC(CO)SCCCCO 62a_100012180447_100000210776 [1,1,0,0,0,0|1,0,1]=4 3012 B9R0.46 CCCCCCC(C)NC 2230a_100000210919_200000210301 [1,1,0,0,0,0|2,0,0]=4 3013 B9R0.46 CCCCCCC(C)NC 2230a_106832991635_100011215978 [1,1,0,0,0,0|2,0,0]=4 3014 B9R0.46 CCCCCCC(C)NC 270004a_106832991635_100000210826 [1,1,0,0,0,0|2,0,0]=4 3015 B9R0.46 CCCCCCC(C)NC 34a_100000210919_200000210301 [1,1,0,0,0,0|2,0,0]=4 3016 B9R0.46 CCCCCCC(C)NC 34a_100102657272_100011215978 [1,1,0,0,0,0|2,0,0]=4 3017 B9R0.46 CCCCCCC(C)NC 7a_106832991635_100011215978 [1,1,0,0,0,0|2,0,0]=4 3018 B9R0.46 CCCCCCC(C)N[13CH3] 2230a_100000210919_200025704644 [1,1,0,0,0,0|2,0,0]=4 3019 B9R0.46 CCCCCCC(C)N[13CH3] 34a_100000210919_200025704644 [1,1,0,0,0,0|2,0,0]=4 3020 B9R0.46 CCCCCCC(C)OC 34a_100000210265_200000210301 [1,1,0,0,0,0|2,0,0]=4 3021 B9R0.46 CCCCCCC(C)OC 34a_100138415774_100011215978 [1,1,0,0,0,0|2,0,0]=4 3022 B9R0.46 CCCCCCC(C)OC 7a_100000210265_200000210301 [1,1,0,0,0,0|2,0,0]=4 3023 B9R0.46 CCCCCCC(C)O[13CH3] 34a_100000210265_200025704644 [1,1,0,0,0,0|2,0,0]=4 3024 B9R0.46 CCCCCCC(C)O[13CH3] 7a_100000210265_200025704644 [1,1,0,0,0,0|2,0,0]=4 3025 B9R0.46 CCCCCCC(C)SC 62a_100011215978_200000210301 [1,1,0,0,0,0|2,0,0]=4 3026 B9R0.46 CCCCCCC(C)SC 62a_200000210301_100011215978 [1,1,0,0,0,0|2,0,0]=4 3027 B9R0.46 CCCCCCC(C)S[13CH3] 62a_100011215978_200025704644 [1,1,0,0,0,0|2,0,0]=4 3028 B9R0.46 CCCCCCC(C)S[13CH3] 62a_200025704644_100011215978 [1,1,0,0,0,0|2,0,0]=4 3029 B9R0.46 CCCCCNC(C)C#N 2230a_100000209983_100000184139 [1,1,0,0,0,0|1,0,1]=4 3030 B9R0.46 CCCCCNC(C)C#N 2230a_100000737613_100000210326 [1,1,0,0,0,0|1,0,1]=4 3031 B9R0.46 CCCCCNC(C)CC 2230a_100000209981_100000210326 [1,1,0,0,0,0|1,0,1]=4 3032 B9R0.46 CCCCCNC(C)CC 2230a_100000209983_100000758301 [1,1,0,0,0,0|1,0,1]=4 3033 B9R0.46 CCCCCNC(C)CO 2230a_100000209983_100012180447 [1,1,0,0,0,0|0,0,1]=3 3034 B9R0.46 CCCCCN[C@H](C)CO 2230a_100000737577_100000210326 [1,1,0,0,0,0|0,0,1]=3 3035 B9R0.46 CCCCCOC(C)C#N 34a_100011218135_100000718602 [1,1,0,0,0,0|1,0,1]=4 3036 B9R0.46 CCCCCOC(C)C#N 7a_100000210253_100000703298 [1,1,0,0,0,0|1,0,1]=4 3037 B9R0.46 CCCCCOC(C)CC 34a_100000210253_100011215416 [1,1,0,0,0,0|1,0,1]=4 3038 B9R0.46 CCCCCOC(C)CC 7a_100000210228_100000210326 [1,1,0,0,0,0|1,0,1]=4 3039 B9R0.46 CCCCCOC(C)CC 7a_100000210253_100000758301 [1,1,0,0,0,0|1,0,1]=4 3040 B9R0.46 CCCCCOC(C)CF 34a_100016041109_100000718602 [1,1,0,0,0,0|1,0,1]=4 3041 B9R0.46 CCCCCOC(C)CF 7a_100016041109_100000210326 [1,1,0,0,0,0|1,0,1]=4 3042 B9R0.46 CCCCCOC(C)CN 34a_100000210904_100000718602 [1,1,0,0,0,0|1,0,1]=4 3043 B9R0.46 CCCCCOC(C)CO 34a_100000210253_100012180447 [1,1,0,0,0,0|0,0,1]=3 3044 B9R0.46 CCCCCOC(C)CO 7a_100000210253_100012180447 [1,1,0,0,0,0|0,0,1]=3 3045 B9R0.46 CCCCCSC(C)C#N 62a_100000210326_100000703298 [1,1,0,0,0,0|1,0,1]=4 3046 B9R0.46 CCCCCSC(C)C#N 62a_100000703298_100000210326 [1,1,0,0,0,0|1,0,1]=4 3047 B9R0.46 CCCCCSC(C)CC 62a_100000210326_100000758301 [1,1,0,0,0,0|1,0,1]=4 3048 B9R0.46 CCCCCSC(C)CC 62a_100000758301_100000210326 [1,1,0,0,0,0|1,0,1]=4 3049 B9R0.46 CCCCCSC(C)CO 62a_100012180447_100000210326 [1,1,0,0,0,0|0,0,1]=3 3050 B9R0.46 CCCCCSC(C)OC 62a_100000210326_100009879195 [1,1,0,0,0,0|2,0,0]=4 3051 B9R0.46 CCCCCSC(C)OC 62a_100009879195_100000210326 [1,1,0,0,0,0|2,0,0]=4 3052 B9R0.46 CCCCCS[C@H](C)CO 62a_100000210326_100016084084 [1,1,0,0,0,0|0,0,1]=3 3053 B9R0.46 CCCCCS[C@H](C)CO 62a_100016084084_100000210326 [1,1,0,0,0,0|0,0,1]=3 3054 B9R0.46 CCCCNCC(C)CC 2230a_100000102301_100000748023 [1,1,0,0,0,0|1,0,1]=4 3055 B9R0.46 CCCCNCC(C)CC 2230a_100020588543_100000210211 [1,1,0,0,0,0|1,0,1]=4 3056 B9R0.46 CCCCNCC(C)CC 270004a_100000102301_100000243153 [1,1,0,0,0,0|1,0,1]=4 3057 B9R0.46 CCCCNCC(C)CC 7a_106832991798_100000748023 [1,1,0,0,0,0|1,0,1]=4 3058 B9R0.46 CCCCNCC(C)CO 34a_100000744482_100000210210 [1,1,0,0,0,0|0,0,1]=3 3059 B9R0.46 CCCCNCC(O)CO 2230a_100000102301_100011219619 [1,1,0,0,0,0|1,0,1]=4 3060 B9R0.46 CCCCNCC(O)CO 7a_106832991798_100011219619 [1,1,0,0,0,0|1,0,1]=4 3061 B9R0.46 CCCCNC[C@@H](C)CC 2230a_100000102301_100009816398 [1,1,0,0,0,0|1,0,1]=4 3062 B9R0.46 CCCCNC[C@@H](C)CC 7a_106832991798_100009816398 [1,1,0,0,0,0|1,0,1]=4 3063 B9R0.46 CCCCNC[C@@H](C)CO 2230a_100000102301_100000059175 [1,1,0,0,0,0|0,0,1]=3 3064 B9R0.46 CCCCNC[C@@H](C)CO 7a_106832991798_100000059175 [1,1,0,0,0,0|0,0,1]=3 3065 B9R0.46 CCCCNC[C@@H](C)OC 2230a_100020591295_100000210211 [1,1,0,0,0,0|2,0,0]=4 3066 B9R0.46 CCCCNC[C@@H](F)CO 34a_100015665980_100000210210 [1,1,0,0,0,0|1,0,1]=4 3067 B9R0.46 CCCCNC[C@@H](O)CO 2230a_100000102301_100009815848 [1,1,0,0,0,0|1,0,1]=4 3068 B9R0.46 CCCCNC[C@@H](O)CO 7a_106832991798_100009815848 [1,1,0,0,0,0|1,0,1]=4 3069 B9R0.46 CCCCNC[C@H](O)CO 2230a_100020644852_100000210211 [1,1,0,0,0,0|1,0,1]=4 3070 B9R0.46 CCCCOCC(C)CC 34a_100000210227_100000748023 [1,1,0,0,0,0|1,0,1]=4 3071 B9R0.46 CCCCOCC(C)CC 7a_100000210227_100000748023 [1,1,0,0,0,0|1,0,1]=4 3072 B9R0.46 CCCCOCC(C)CN 34a_100000744482_100000210210 [1,1,0,0,0,0|1,0,1]=4 3073 B9R0.46 CCCCOCC(C)OC 34a_100000690652_100000210210 [1,1,0,0,0,0|2,0,0]=4 3074 B9R0.46 CCCCOCC(C)OC 34a_100011217071_200000210301 [1,1,0,0,0,0|2,0,0]=4 3075 B9R0.46 CCCCOCC(C)OC 7a_100011217071_200000210301 [1,1,0,0,0,0|2,0,0]=4 3076 B9R0.46 CCCCOCC(C)O[13CH3] 34a_100011217071_200025704644 [1,1,0,0,0,0|2,0,0]=4 3077 B9R0.46 CCCCOCC(C)O[13CH3] 7a_100011217071_200025704644 [1,1,0,0,0,0|2,0,0]=4 3078 B9R0.46 CCCCOCC(O)CO 34a_100000210227_100011219619 [1,1,0,0,0,0|1,0,1]=4 3079 B9R0.46 CCCCOCC(O)CO 7a_100000210227_100011219619 [1,1,0,0,0,0|1,0,1]=4 3080 B9R0.46 CCCCOC[C@@H](C)CC 34a_100000210227_100009816398 [1,1,0,0,0,0|1,0,1]=4 3081 B9R0.46 CCCCOC[C@@H](C)CC 7a_100000210227_100009816398 [1,1,0,0,0,0|1,0,1]=4 3082 B9R0.46 CCCCOC[C@@H](C)CC 7a_100009816381_100000210211 [1,1,0,0,0,0|1,0,1]=4 3083 B9R0.46 CCCCOC[C@@H](C)CO 34a_100000210227_100000059175 [1,1,0,0,0,0|0,0,1]=3 3084 B9R0.46 CCCCOC[C@@H](C)CO 7a_100000210227_100000059175 [1,1,0,0,0,0|0,0,1]=3 3085 B9R0.46 CCCCOC[C@@H](O)CO 34a_100000210227_100009815848 [1,1,0,0,0,0|1,0,1]=4 3086 B9R0.46 CCCCOC[C@@H](O)CO 7a_100000210227_100009815848 [1,1,0,0,0,0|1,0,1]=4 3087 B9R0.46 CCCCSCC(C)CC 62a_100000210211_100000748023 [1,1,0,0,0,0|1,0,1]=4 3088 B9R0.46 CCCCSCC(C)CC 62a_100000748023_100000210210 [1,1,0,0,0,0|1,0,1]=4 3089 B9R0.46 CCCCSCC(O)CO 62a_100000210211_100011219619 [1,1,0,0,0,0|1,0,1]=4 3090 B9R0.46 CCCCSCC(O)CO 62a_100011219619_100000210210 [1,1,0,0,0,0|1,0,1]=4 3091 B9R0.46 CCCCSC[C@@H](C)CC 62a_100000210211_100009816398 [1,1,0,0,0,0|1,0,1]=4 3092 B9R0.46 CCCCSC[C@@H](C)CC 62a_100009816398_100000210210 [1,1,0,0,0,0|1,0,1]=4 3093 B9R0.46 CCCCSC[C@@H](C)CO 62a_100000059175_100000210210 [1,1,0,0,0,0|0,0,1]=3 3094 B9R0.46 CCCCSC[C@@H](C)CO 62a_100000210211_100000059175 [1,1,0,0,0,0|0,0,1]=3 3095 B9R0.46 CCCCSC[C@@H](O)CO 62a_100000210211_100009815848 [1,1,0,0,0,0|1,0,1]=4 3096 B9R0.46 CCCCSC[C@@H](O)CO 62a_100009815848_100000210210 [1,1,0,0,0,0|1,0,1]=4 3097 B9R0.46 CCCNCCC(C)CC 2230a_100020591266_100000210303 [1,1,0,0,0,0|1,0,1]=4 3098 B9R0.46 CCCNCCC(C)CO 2230a_106354213184_100000210303 [1,1,0,0,0,0|0,0,1]=3 3099 B9R0.46 CCCNCCC(C)CO 34a_106354213184_100000210303 [1,1,0,0,0,0|0,0,1]=3 3100 B9R0.46 CCCOCCC(C)CC 7a_100011215188_100000210303 [1,1,0,0,0,0|1,0,1]=4 3101 B9R0.46 CCCOCCC(C)OC 7a_100000764861_100000210303 [1,1,0,0,0,0|2,0,0]=4 3102 B9R0.46 CCOCCCC(C)CC 7a_100011216074_100000210202 [1,1,0,0,0,0|1,0,1]=4 3103 B9R0.46 CCOCCC[C@@H](C)CN 34a_100160569302_100000210202 [1,1,0,0,0,0|1,0,1]=4 3104 B9R0.46 CCOCCNC(C)CO 2230a_102516460346_100012180447 [1,1,0,0,0,0|1,0,1]=4 3105 B9R0.46 CCOCCNC(C)CO 34a_102516460346_100012180447 [1,1,0,0,0,0|1,0,1]=4 3106 B9R0.46 CCOCCN[C@H](C)CO 2230a_100000737577_100011215890 [1,1,0,0,0,0|1,0,1]=4 3107 B9R0.46 CCOCCOC(C)CO 34a_100000210136_100012180447 [1,1,0,0,0,0|1,0,1]=4 3108 B9R0.46 CCOCCOC(C)CO 7a_100000210136_100012180447 [1,1,0,0,0,0|1,0,1]=4 3109 B9R0.46 CCOCCSC(C)CO 62a_100012180447_100011215890 [1,1,0,0,0,0|1,0,1]=4 3110 B9R0.46 CCOCCS[C@H](C)CO 62a_100000210147_100016084084 [1,1,0,0,0,0|1,0,1]=4 3111 B9R0.46 CCOCCS[C@H](C)CO 62a_100016084084_100011215890 [1,1,0,0,0,0|1,0,1]=4 3112 B9R0.46 CCOCSC[C@@H](C)CO 62a_100000059175_100000739092 [1,1,0,0,0,0|1,0,1]=4 3113 B9R0.46 CCOCSC[C@@H](C)CO 62a_100000739092_100000059175 [1,1,0,0,0,0|1,0,1]=4 3114 B9R0.46 CCSCCNC(C)CO 2230a_100000106463_100012180447 [1,1,0,0,0,0|1,0,1]=4 3115 B9R0.46 CCSCCN[C@H](C)CO 2230a_100000737577_100000757381 [1,1,0,0,0,0|1,0,1]=4 3116 B9R0.46 CCSCCOC(C)CO 34a_100000212035_100012180447 [1,1,0,0,0,0|1,0,1]=4 3117 B9R0.46 CCSCCOC(C)CO 7a_100000212035_100012180447 [1,1,0,0,0,0|1,0,1]=4 3118 B9R0.46 CCSCCSC(C)CO 62a_100012180447_100000757381 [1,1,0,0,0,0|1,0,1]=4 3119 B9R0.46 CCSCCS[C@H](C)CO 62a_100000757381_100016084084 [1,1,0,0,0,0|1,0,1]=4 3120 B9R0.46 CCSCCS[C@H](C)CO 62a_100016084084_100000757381 [1,1,0,0,0,0|1,0,1]=4 3121 B9R0.46 CNCCCOC(C)CO 34a_100000213112_100012180447 [1,1,0,0,0,0|1,0,1]=4 3122 B9R0.46 COCCCNC(C)CO 34a_100150723488_100012180447 [1,1,0,0,0,0|1,0,1]=4 3123 B9R0.46 COCCCN[C@H](C)CO 2230a_100000737577_100000740836 [1,1,0,0,0,0|1,0,1]=4 3124 B9R0.46 COCCCOC(C)CO 34a_100000740835_100012180447 [1,1,0,0,0,0|1,0,1]=4 3125 B9R0.46 COCCCSC(C)CO 62a_100012180447_100000709357 [1,1,0,0,0,0|1,0,1]=4 3126 B9R0.46 COCCCS[C@H](C)CO 62a_100000709357_100016084084 [1,1,0,0,0,0|1,0,1]=4 3127 B9R0.46 COCCCS[C@H](C)CO 62a_100016084084_100000709357 [1,1,0,0,0,0|1,0,1]=4 3128 B9R0.46 COCCNCC(C)CO 34a_100000744482_100011201679 [1,1,0,0,0,0|1,0,1]=4 3129 B9R0.46 COCCNC[C@@H](C)CO 2230a_100000209980_100000059175 [1,1,0,0,0,0|1,0,1]=4 3130 B9R0.46 COCCOC[C@@H](C)CO 34a_100000210237_100000059175 [1,1,0,0,0,0|1,0,1]=4 3131 B9R0.46 COCCSC[C@@H](C)CO 62a_100000059175_100000233755 [1,1,0,0,0,0|1,0,1]=4 3132 B9R0.46 COCCSC[C@@H](C)CO 62a_100000233755_100000059175 [1,1,0,0,0,0|1,0,1]=4 3133 B9R0.46 COCNCCC(C)CO 2230a_106354213184_100000766300 [1,1,0,0,0,0|1,0,1]=4 3134 B9R0.46 CSCCCNC(C)CO 2230a_100000749238_100012180447 [1,1,0,0,0,0|1,0,1]=4 3135 B9R0.46 CSCCCOC(C)CO 34a_100000690336_100012180447 [1,1,0,0,0,0|1,0,1]=4 3136 B9R0.46 CSCCCOC(C)CO 7a_100000690336_100012180447 [1,1,0,0,0,0|1,0,1]=4 3137 B9R0.46 CSCCNCC(C)CO 34a_100000744482_100000212216 [1,1,0,0,0,0|1,0,1]=4 3138 B9R0.46 CSCCNC[C@@H](C)CO 2230a_100020590264_100000059175 [1,1,0,0,0,0|1,0,1]=4 3139 B9R0.46 CSCCOC[C@@H](C)CO 34a_100000230434_100000059175 [1,1,0,0,0,0|1,0,1]=4 3140 B9R0.46 CSCCOC[C@@H](C)CO 7a_100000230434_100000059175 [1,1,0,0,0,0|1,0,1]=4 3141 B9R0.46 CSCCSC[C@@H](C)CO 62a_100000059175_100000751147 [1,1,0,0,0,0|1,0,1]=4 3142 B9R0.46 CSCCSC[C@@H](C)CO 62a_100000212216_100000059175 [1,1,0,0,0,0|1,0,1]=4 3143 B9R0.46 CSCNCCC(C)CO 2230a_106354213184_100011218213 [1,1,0,0,0,0|1,0,1]=4 3144 B9R0.46 CSCNCCC(C)CO 34a_106354213184_100011218213 [1,1,0,0,0,0|1,0,1]=4 3145 B9R0.46 C[C@@H](CO)CNCCCF 2230a_100015189416_100000059175 [1,1,0,0,0,0|1,0,1]=4 3146 B9R0.46 C[C@@H](CO)CNCCCF 34a_100015189416_100000059175 [1,1,0,0,0,0|1,0,1]=4 3147 B9R0.46 C[C@@H](CO)COCCCBr 34a_100011217188_100000059175 [1,1,0,0,0,0|1,0,1]=4 3148 B9R0.46 C[C@@H](CO)COCCCCl 34a_100000230001_100000059175 [1,1,0,0,0,0|1,0,1]=4 3149 B9R0.46 C[C@@H](CO)COCCCF 34a_100000759539_100000059175 [1,1,0,0,0,0|1,0,1]=4 3150 B9R0.46 C[C@@H](CO)COCCCN 34a_100000182051_100000059175 [1,1,0,0,0,0|1,0,1]=4 3151 B9R0.46 C[C@@H](CO)CSCCCF 62a_100000059175_100011934791 [1,1,0,0,0,0|1,0,1]=4 3152 B9R0.46 C[C@@H](CO)CSCCCF 62a_100011934791_100000059175 [1,1,0,0,0,0|1,0,1]=4 3153 B9R0.46 C[C@@H](CO)CSCCCO 62a_100000059175_100011215043 [1,1,0,0,0,0|1,0,1]=4 3154 B9R0.46 C[C@@H](CO)CSCCCO 62a_100011215043_100000059175 [1,1,0,0,0,0|1,0,1]=4 3155 B9R0.46 C[C@H](CO)NCCCCF 2230a_100000737577_100000729493 [1,1,0,0,0,0|1,0,1]=4 3156 B9R0.46 C[C@H](CO)NCCCCO 2230a_100000737577_100000210776 [1,1,0,0,0,0|1,0,1]=4 3157 B9R0.46 C[C@H](CO)SCCCCF 62a_100000729493_100016084084 [1,1,0,0,0,0|1,0,1]=4 3158 B9R0.46 C[C@H](CO)SCCCCF 62a_100016084084_100000729493 [1,1,0,0,0,0|1,0,1]=4 3159 B9R0.46 C[C@H](CO)SCCCCO 62a_100000210776_100016084084 [1,1,0,0,0,0|1,0,1]=4 3160 B9R0.46 C[C@H](CO)SCCCCO 62a_100016084084_100000210776 [1,1,0,0,0,0|1,0,1]=4 3161 B9R0.50 C#CC(CCCCC)OC 34a_100011216489_200000210301 [1,1,0,0,0,0|1,0,1]=4 3162 B9R0.50 C#CC(CCCCC)OC 7a_100011216489_200000210301 [1,1,0,0,0,0|1,0,1]=4 3163 B9R0.50 C#CC(CCCCC)O[13CH3] 34a_100011216489_200025704644 [1,1,0,0,0,0|1,0,1]=4 3164 B9R0.50 C#CC(CCCCC)O[13CH3] 7a_100011216489_200025704644 [1,1,0,0,0,0|1,0,1]=4 3165 B9R0.50 C=CC(CC)OCCCC 34a_100000766422_100000210210 [1,1,0,0,0,0|2,0,0]=4 3166 B9R0.50 C=CC(CC)OCCCC 7a_100000766422_100000210211 [1,1,0,0,0,0|2,0,0]=4 3167 B9R0.50 C=CC(CCCCC)OC 34a_100011216863_200000210301 [1,1,0,0,0,0|1,0,0]=3 3168 B9R0.50 C=CC(CCCCC)OC 7a_100011216863_200000210301 [1,1,0,0,0,0|1,0,0]=3 3169 B9R0.50 C=CC(CCCCC)O[13CH3] 34a_100011216863_200025704644 [1,1,0,0,0,0|1,0,0]=3 3170 B9R0.50 C=CC(CCCCC)O[13CH3] 7a_100011216863_200025704644 [1,1,0,0,0,0|1,0,0]=3 3171 B9R0.50 C=C[C@@H](CO)NCCCC 2230a_100016989147_100000210211 [1,1,0,0,0,0|2,0,0]=4 3172 B9R0.50 C=C[C@@H](CO)NCCCC 34a_100016989147_100000210210 [1,1,0,0,0,0|2,0,0]=4 3173 B9R0.50 CCCCCC(CC)NC 270004a_106832991635_100011215316 [1,1,0,0,0,0|1,0,1]=4 3174 B9R0.50 CCCCCC(CC)OC 34a_100011215405_200000210301 [1,1,0,0,0,0|1,0,1]=4 3175 B9R0.50 CCCCCC(CC)OC 7a_100011215405_200000210301 [1,1,0,0,0,0|1,0,1]=4 3176 B9R0.50 CCCCCC(CC)O[13CH3] 34a_100011215405_200025704644 [1,1,0,0,0,0|1,0,1]=4 3177 B9R0.50 CCCCCC(CC)O[13CH3] 7a_100011215405_200025704644 [1,1,0,0,0,0|1,0,1]=4 3178 B9R0.50 CCCCNC(C=O)C=O 2230a_100000102301_100000736813 [1,1,0,0,0,0|1,0,1]=4 3179 B9R0.50 CCCCNC(CO)CO 2230a_100000759517_100000210211 [1,1,0,0,0,0|1,0,1]=4 3180 B9R0.50 CCCCN[C@@H](CC)CO 2230a_100000709445_100000210211 [1,1,0,0,0,0|1,0,1]=4 3181 B9R0.50 CCCCOC(C=O)C=O 34a_100000210227_100000736813 [1,1,0,0,0,0|1,0,1]=4 3182 B9R0.50 CCCCSC(C=O)C=O 62a_100000210211_100000736813 [1,1,0,0,0,0|1,0,1]=4 3183 B9R0.50 CCCCSC(C=O)C=O 62a_100000736813_100000210210 [1,1,0,0,0,0|1,0,1]=4 3184 B9R0.2 C#CCCCCCC(=O)C 1458a_100000070787_100012094781 [1,1,0,0,0,0|1,0,1]=4 3185 B9R0.2 C#CCCCCCC(=O)C 1458a_100000694772_200000210301 [1,1,0,0,0,0|1,0,1]=4 3186 B9R0.2 C#CCCCCCC(=O)[13CH3] 1458a_100000694772_200025704644 [1,1,0,0,0,0|1,0,1]=4 3187 B9R0.2 C#CCCCNCC(=O)O 269956a_100016091260_100011215417 [1,1,0,0,0,0|0,0,2]=4 3188 B9R0.2 C=C(Br)CCOCCCC 34a_100009813270_100000210210 [1,1,0,0,0,0|2,0,0]=4 3189 B9R0.2 C=C(C)CCNCCCC 2230a_100000102301_100000730704 [1,1,0,0,0,0|2,0,0]=4 3190 B9R0.2 C=C(C)CCNCCCC 7a_106832991798_100000730704 [1,1,0,0,0,0|2,0,0]=4 3191 B9R0.2 C=C(C)CCOCCCC 34a_100000210227_100000730704 [1,1,0,0,0,0|2,0,0]=4 3192 B9R0.2 C=C(C)CCOCCCC 34a_100000764851_100000210210 [1,1,0,0,0,0|2,0,0]=4 3193 B9R0.2 C=C(C)CCOCCCC 7a_100000210227_100000730704 [1,1,0,0,0,0|2,0,0]=4 3194 B9R0.2 C=C(C)CCSCCCC 62a_100000210211_100000730704 [1,1,0,0,0,0|2,0,0]=4 3195 B9R0.2 C=C(C)CCSCCCC 62a_100000730704_100000210210 [1,1,0,0,0,0|2,0,0]=4 3196 B9R0.2 C=C(C)CNCCCCC 2230a_100000209983_100000748629 [1,1,0,0,0,0|2,0,0]=4 3197 B9R0.2 C=C(C)COCCCCC 34a_100000210245_100000718602 [1,1,0,0,0,0|2,0,0]=4 3198 B9R0.2 C=C(C)COCCCCC 34a_100000210253_100000748629 [1,1,0,0,0,0|2,0,0]=4 3199 B9R0.2 C=C(C)COCCCCC 7a_100000210253_100000748629 [1,1,0,0,0,0|2,0,0]=4 3200 B9R0.2 C=C(C)CSCCCCC 62a_100000210326_100000211660 [1,1,0,0,0,0|2,0,0]=4 3201 B9R0.2 C=C(C)CSCCCCC 62a_100000748629_100000210326 [1,1,0,0,0,0|2,0,0]=4 3202 B9R0.2 C=C(F)CNCCCCC 2230a_100000209983_100009893438 [1,1,0,0,0,0|2,0,0]=4 3203 B9R0.2 C=C(F)COCCCCC 34a_100000210253_100009893438 [1,1,0,0,0,0|2,0,0]=4 3204 B9R0.2 C=C(F)COCCCCC 34a_200010262243_100000718602 [1,1,0,0,0,0|2,0,0]=4 3205 B9R0.2 C=C(F)COCCCCC 7a_100000210253_100000042424 [1,1,0,0,0,0|2,0,0]=4 3206 B9R0.2 C=C(F)CSCCCCC 62a_100000042424_100000210326 [1,1,0,0,0,0|2,0,0]=4 3207 B9R0.2 C=C(F)CSCCCCC 62a_100000210326_100000042424 [1,1,0,0,0,0|2,0,0]=4 3208 B9R0.2 C=CCCCCCC(=O)C 1458a_100000070787_100000700193 [1,1,0,0,0,0|1,0,1]=4 3209 B9R0.2 C=CCCCCCC(=O)C 1458a_100011934241_200000210301 [1,1,0,0,0,0|1,0,1]=4 3210 B9R0.2 C=CCCCCCC(=O)[13CH3] 1458a_100011934241_200025704644 [1,1,0,0,0,0|1,0,1]=4 3211 B9R0.2 C=CCCCNCC(=O)O 269956a_100016091260_100011713584 [1,1,0,0,0,0|0,0,2]=4 3212 B9R0.2 CC(=O)CCCCCC#N 1458a_100000070787_100009813376 [1,1,0,0,0,0|1,0,1]=4 3213 B9R0.2 CC(=O)CCCCCCF 1458a_100000070787_100015922095 [1,1,0,0,0,0|1,0,0]=3 3214 B9R0.2 CC(=O)CCCCCCO 1458a_100000070787_100000766143 [1,1,0,0,0,0|1,0,0]=3 3215 B9R0.2 CC(=O)CCCCCCO 1458a_100011996774_200000210301 [1,1,0,0,0,0|1,0,0]=3 3216 B9R0.2 CC(=O)CCCCSCF 62a_100000735457_100015361967 [1,1,0,0,0,0|2,0,0]=4 3217 B9R0.2 CC(=O)CCCCSCF 62a_100015361967_100000735457 [1,1,0,0,0,0|2,0,0]=4 3218 B9R0.2 CC(=O)CCCNCCF 34a_100000724931_100000685027 [1,1,0,0,0,0|2,0,0]=4 3219 B9R0.2 CC(=O)CCCNCCO 34a_100016990907_100000685027 [1,1,0,0,0,0|2,0,0]=4 3220 B9R0.2 CC(=O)CCCOCCBr 34a_100000211926_100000685027 [1,1,0,0,0,0|2,0,0]=4 3221 B9R0.2 CC(=O)CCCOCCF 34a_100000759063_100011217306 [1,1,0,0,0,0|2,0,0]=4 3222 B9R0.2 CC(=O)CCCOCCF 7a_100000759063_100011217306 [1,1,0,0,0,0|2,0,0]=4 3223 B9R0.2 CC(=O)CCCOCCN 34a_100000210304_100000685027 [1,1,0,0,0,0|2,0,0]=4 3224 B9R0.2 CC(=O)CCCOCCO 34a_100000759063_100000211926 [1,1,0,0,0,0|2,0,0]=4 3225 B9R0.2 CC(=O)CCCOCCO 7a_100000759063_100000211926 [1,1,0,0,0,0|2,0,0]=4 3226 B9R0.2 CC(=O)CCCSCCF 62a_100011215641_100011217306 [1,1,0,0,0,0|2,0,0]=4 3227 B9R0.2 CC(=O)CCCSCCF 62a_100011217306_100011215641 [1,1,0,0,0,0|2,0,0]=4 3228 B9R0.2 CC(=O)CCCSCCO 62a_100000211926_100011215641 [1,1,0,0,0,0|2,0,0]=4 3229 B9R0.2 CC(=O)CCCSCCO 62a_100011215641_100000211926 [1,1,0,0,0,0|2,0,0]=4 3230 B9R0.2 CC(=O)CCOCCCF 34a_100000759926_100011934791 [1,1,0,0,0,0|2,0,0]=4 3231 B9R0.2 CC(=O)CCOCCCF 7a_100000759926_100011934791 [1,1,0,0,0,0|2,0,0]=4 3232 B9R0.2 CC(=O)CCOCCCO 34a_100000759926_100000230001 [1,1,0,0,0,0|2,0,0]=4 3233 B9R0.2 CC(=O)CCOCCCO 7a_100000759926_100011215043 [1,1,0,0,0,0|2,0,0]=4 3234 B9R0.2 CC(=O)CCSCCCF 62a_100000053229_100011934791 [1,1,0,0,0,0|2,0,0]=4 3235 B9R0.2 CC(=O)CCSCCCF 62a_100011934791_100000053229 [1,1,0,0,0,0|2,0,0]=4 3236 B9R0.2 CC(=O)CCSCCCO 62a_100000053229_100011215043 [1,1,0,0,0,0|2,0,0]=4 3237 B9R0.2 CC(=O)CCSCCCO 62a_100011215043_100000053229 [1,1,0,0,0,0|2,0,0]=4 3238 B9R0.2 CC(=O)COCCCCF 34a_100000211253_100000729493 [1,1,0,0,0,0|2,0,0]=4 3239 B9R0.2 CC(=O)COCCCCO 34a_100000211253_100011216708 [1,1,0,0,0,0|2,0,0]=4 3240 B9R0.2 CC(=O)NCCCCCO 240690a_100000762737_100015343762 [1,1,0,0,0,0|2,0,0]=4 3241 B9R0.2 CC(=O)NCCCCN[13CH3] 2230a_200011368371_200025704644 [1,1,0,0,0,0|2,0,0]=4 3242 B9R0.2 CC(=O)NCCCCN[13CH3] 34a_200011368371_200025704644 [1,1,0,0,0,0|2,0,0]=4 3243 B9R0.2 CC(=O)OCCCCO[13CH3] 34a_100000073216_200025704644 [1,1,0,0,0,0|2,0,0]=4 3244 B9R0.2 CC(=O)OCCCCO[13CH3] 7a_100000073216_200025704644 [1,1,0,0,0,0|2,0,0]=4 3245 B9R0.2 CC(=O)OCCCCS[13CH3] 62a_100000033659_200025704644 [1,1,0,0,0,0|2,0,0]=4 3246 B9R0.2 CC(=O)OCCCCS[13CH3] 62a_200025704644_100000033659 [1,1,0,0,0,0|2,0,0]=4 3247 B9R0.2 CC(=O)SCCCCS[13CH3] 62a_200010402107_200025704644 [1,1,0,0,0,0|2,0,0]=4 3248 B9R0.2 CC(=O)SCCCCS[13CH3] 62a_200025704644_200010402107 [1,1,0,0,0,0|2,0,0]=4 3249 B9R0.2 CC/C=C\CNCC(=O)O 269956a_100016091260_100103147603 [1,1,0,0,0,0|0,0,2]=4 3250 B9R0.2 CCC#CCNCC(=O)O 269956a_100016091260_100009813939 [1,1,0,0,0,0|0,0,2]=4 3251 B9R0.2 CCCC/C=C/CC(=O)C 1458a_200016282684_200000210301 [1,1,0,0,0,0|1,0,1]=4 3252 B9R0.2 CCCC/C=C/CC(=O)[13CH3] 1458a_200016282684_200025704644 [1,1,0,0,0,0|1,0,1]=4 3253 B9R0.2 CCCCCC#CC(=O)C 1458a_100011215388_200000210301 [1,1,0,0,0,0|1,0,1]=4 3254 B9R0.2 CCCCCC#CC(=O)[13CH3] 1458a_100011215388_200025704644 [1,1,0,0,0,0|1,0,1]=4 3255 B9R0.2 CCCCCC=CC(=O)C 1458a_100016263427_200000210301 [1,1,0,0,0,0|1,0,1]=4 3256 B9R0.2 CCCCCC=CC(=O)[13CH3] 1458a_100016263427_200025704644 [1,1,0,0,0,0|1,0,1]=4 3257 B9R0.2 CCCCCCCC(=O)C 1458a_100000070787_100000210614 [1,1,0,0,0,0|1,0,0]=3 3258 B9R0.2 CCCCCCCC(=O)C 1458a_100000211969_200000210301 [1,1,0,0,0,0|1,0,0]=3 3259 B9R0.2 CCCCCCCC(=O)[13CH3] 1458a_100000211969_200025704644 [1,1,0,0,0,0|1,0,0]=3 3260 B9R0.2 CCCCCCNC(=O)C 11a_100000210581_100015343762 [1,1,0,0,0,0|1,0,0]=3 3261 B9R0.2 CCCCCCNC(=O)C 1626a_100000210581_100015343762 [1,1,0,0,0,0|1,0,0]=3 3262 B9R0.2 CCCCCCNC(=O)C 240690a_100000210581_100015343762 [1,1,0,0,0,0|1,0,0]=3 3263 B9R0.2 CCCCCCNC(=O)C 527a_100000210581_100103153847 [1,1,0,0,0,0|1,0,0]=3 3264 B9R0.2 CCCCCNCC(=O)N 2230a_100000209983_100000747473 [1,1,0,0,0,0|1,0,0]=3 3265 B9R0.2 CCCCCNCC(=O)N 2230a_100000711301_100000210326 [1,1,0,0,0,0|1,0,0]=3 3266 B9R0.2 CCCCCNCC(=O)O 269956a_100016091260_100000210326 [1,1,0,0,0,0|0,0,0]=2 3267 B9R0.2 CCCCCNCC(C)O 2230a_100000209983_100011218427 [1,1,0,0,0,0|1,0,1]=4 3268 B9R0.2 CCCCCNCC(C)O 2230a_100000210904_100000210326 [1,1,0,0,0,0|1,0,1]=4 3269 B9R0.2 CCCCCNCC(C)O 34a_100000210904_100000718602 [1,1,0,0,0,0|1,0,1]=4 3270 B9R0.2 CCCCCNC[C@@H](C)O 2230a_100000209983_100009817552 [1,1,0,0,0,0|1,0,1]=4 3271 B9R0.2 CCCCCNNC(=O)C 22a_100000694160_100000070787 [1,1,0,0,0,0|2,0,0]=4 3272 B9R0.2 CCCCCOCC(=O)C 34a_100000211253_100000718602 [1,1,0,0,0,0|1,0,0]=3 3273 B9R0.2 CCCCCOCC(=O)N 34a_100000210253_100000187820 [1,1,0,0,0,0|1,0,0]=3 3274 B9R0.2 CCCCCOCC(=O)N 7a_100000210253_100000187820 [1,1,0,0,0,0|1,0,0]=3 3275 B9R0.2 CCCCCOCC(=O)[O-] 34a_100000210253_100020667443 [1,1,0,0,0,0|0,0,1]=3 3276 B9R0.2 CCCCCOCC(C)O 34a_100000210253_100011218427 [1,1,0,0,0,0|1,0,1]=4 3277 B9R0.2 CCCCCOCC(C)O 7a_100000210253_100011218427 [1,1,0,0,0,0|1,0,1]=4 3278 B9R0.2 CCCCCOC[C@@H](C)O 34a_100000210253_100009817552 [1,1,0,0,0,0|1,0,1]=4 3279 B9R0.2 CCCCCOC[C@@H](C)O 7a_100000210253_100009817552 [1,1,0,0,0,0|1,0,1]=4 3280 B9R0.2 CCCCCOC[N+](=O)[O-] 34a_100000210253_100000761209 [1,1,0,0,0,0|1,0,1]=4 3281 B9R0.2 CCCCCSCC(=O)N 62a_100000210326_100000747473 [1,1,0,0,0,0|1,0,0]=3 3282 B9R0.2 CCCCCSCC(=O)N 62a_100000747473_100000210326 [1,1,0,0,0,0|1,0,0]=3 3283 B9R0.2 CCCCCSCC(=O)[O-] 62a_100000210326_100020667443 [1,1,0,0,0,0|0,0,1]=3 3284 B9R0.2 CCCCCSCC(=O)[O-] 62a_100020667443_100000210326 [1,1,0,0,0,0|0,0,1]=3 3285 B9R0.2 CCCCCSCC(C)O 62a_100000210326_100011218427 [1,1,0,0,0,0|1,0,1]=4 3286 B9R0.2 CCCCCSCC(C)O 62a_100011218427_100000210326 [1,1,0,0,0,0|1,0,1]=4 3287 B9R0.2 CCCCCSC[C@@H](C)O 62a_100000210326_100009817552 [1,1,0,0,0,0|1,0,1]=4 3288 B9R0.2 CCCCCSC[C@@H](C)O 62a_100009817552_100000210326 [1,1,0,0,0,0|1,0,1]=4 3289 B9R0.2 CCCCCSC[N+](=O)[O-] 62a_100000210326_100000761209 [1,1,0,0,0,0|1,0,1]=4 3290 B9R0.2 CCCCNCCC(=O)C 7a_106832991798_100000053229 [1,1,0,0,0,0|1,0,0]=3 3291 B9R0.2 CCCCNCCC(=O)N 2230a_100000102301_100000744528 [1,1,0,0,0,0|1,0,0]=3 3292 B9R0.2 CCCCNCCC(=O)N 7a_106832991798_100000744528 [1,1,0,0,0,0|1,0,0]=3 3293 B9R0.2 CCCCNCCC(C)O 2230a_100000102301_100012276601 [1,1,0,0,0,0|1,0,1]=4 3294 B9R0.2 CCCCNCCC(C)O 2230a_200000755665_100000210211 [1,1,0,0,0,0|1,0,1]=4 3295 B9R0.2 CCCCNCCC(C)O 7a_106832991798_100012276601 [1,1,0,0,0,0|1,0,1]=4 3296 B9R0.2 CCCCNOCC(=O)O 269956a_100000106656_100000210211 [1,1,0,0,0,0|1,0,0]=3 3297 B9R0.2 CCCCOCCC(=O)C 1458a_100000070787_100000743108 [1,1,0,0,0,0|1,0,0]=3 3298 B9R0.2 CCCCOCCC(=O)C 34a_100000759926_100000210210 [1,1,0,0,0,0|1,0,0]=3 3299 B9R0.2 CCCCOCCC(=O)C 7a_100000210227_100000053229 [1,1,0,0,0,0|1,0,0]=3 3300 B9R0.2 CCCCOCCC(=O)C 7a_100000759926_100000210211 [1,1,0,0,0,0|1,0,0]=3 3301 B9R0.2 CCCCOCCC(=O)N 34a_100000210227_100000731001 [1,1,0,0,0,0|1,0,0]=3 3302 B9R0.2 CCCCOCCC(=O)N 34a_100000757172_100000210210 [1,1,0,0,0,0|1,0,0]=3 3303 B9R0.2 CCCCOCCC(=O)N 7a_100000210227_100000744528 [1,1,0,0,0,0|1,0,0]=3 3304 B9R0.2 CCCCOCCC(=O)N 7a_100000757172_100000210211 [1,1,0,0,0,0|1,0,0]=3 3305 B9R0.2 CCCCOCCC(C)O 34a_100000210227_100012276601 [1,1,0,0,0,0|1,0,1]=4 3306 B9R0.2 CCCCOCCC(C)O 7a_100000210227_100012276601 [1,1,0,0,0,0|1,0,1]=4 3307 B9R0.2 CCCCOCOC(=O)C 34a_100000210227_100009813279 [1,1,0,0,0,0|2,0,0]=4 3308 B9R0.2 CCCCSCCC(=O)C 62a_100000053229_100000210210 [1,1,0,0,0,0|1,0,0]=3 3309 B9R0.2 CCCCSCCC(=O)C 62a_100000210211_100000053229 [1,1,0,0,0,0|1,0,0]=3 3310 B9R0.2 CCCCSCCC(=O)N 62a_100000210211_100000744528 [1,1,0,0,0,0|1,0,0]=3 3311 B9R0.2 CCCCSCCC(=O)N 62a_100000744528_100000210210 [1,1,0,0,0,0|1,0,0]=3 3312 B9R0.2 CCCCSCCC(C)O 62a_100000210211_100012276601 [1,1,0,0,0,0|1,0,1]=4 3313 B9R0.2 CCCCSCCC(C)O 62a_100012276601_100000210210 [1,1,0,0,0,0|1,0,1]=4 3314 B9R0.2 CCCCSCOC(=O)C 62a_100000076356_100000210210 [1,1,0,0,0,0|2,0,0]=4 3315 B9R0.2 CCCCSCOC(=O)C 62a_100000210211_100000076356 [1,1,0,0,0,0|2,0,0]=4 3316 B9R0.2 CCCNCCCC(=O)N 34a_100000739312_100000210303 [1,1,0,0,0,0|1,0,0]=3 3317 B9R0.2 CCCNCCCS(=O)C 2230a_200000753449_100000210303 [1,1,0,0,0,0|2,0,0]=4 3318 B9R0.2 CCCNCCNC(=O)C 2230a_100000209853_100000210303 [1,1,0,0,0,0|2,0,0]=4 3319 B9R0.2 CCCNCCNC(=O)N 34a_100020590234_100000210303 [1,1,0,0,0,0|2,0,0]=4 3320 B9R0.2 CCCOCCCC(=O)C 34a_100000210258_100000685027 [1,1,0,0,0,0|1,0,0]=3 3321 B9R0.2 CCCOCCCC(=O)C 34a_100000759063_100000210303 [1,1,0,0,0,0|1,0,0]=3 3322 B9R0.2 CCCOCCCC(=O)C 7a_100000759063_100000210303 [1,1,0,0,0,0|1,0,0]=3 3323 B9R0.2 CCCOCCCC(=O)N 34a_100000210258_100102525003 [1,1,0,0,0,0|1,0,0]=3 3324 B9R0.2 CCCOCCCC(C)O 34a_100000210258_200000718107 [1,1,0,0,0,0|1,0,1]=4 3325 B9R0.2 CCCOCCC[N+](=O)[O-] 34a_200000037920_100000210303 [1,1,0,0,0,0|1,0,1]=4 3326 B9R0.2 CCCOCCNC(=O)C 1626a_100161115042_100015343762 [1,1,0,0,0,0|2,0,0]=4 3327 B9R0.2 CCCOCCNC(=O)C 240690a_100161115042_100015343762 [1,1,0,0,0,0|2,0,0]=4 3328 B9R0.2 CCCOCCNC(=O)C 34a_100000158858_100000210303 [1,1,0,0,0,0|2,0,0]=4 3329 B9R0.2 CCCOCCNC(=O)C 527a_100161115042_100103153847 [1,1,0,0,0,0|2,0,0]=4 3330 B9R0.2 CCCOCCNC(=O)N 34a_100000181757_100000210303 [1,1,0,0,0,0|2,0,0]=4 3331 B9R0.2 CCCOCCOC(=O)C 34a_100000210258_100009814007 [1,1,0,0,0,0|2,0,0]=4 3332 B9R0.2 CCCOCCOC(=O)N 34a_100000210258_200011214921 [1,1,0,0,0,0|2,0,0]=4 3333 B9R0.2 CCCOCCOC(=O)N 7a_100000766696_100000210303 [1,1,0,0,0,0|2,0,0]=4 3334 B9R0.2 CCCSCCCC(=O)C 62a_100000210303_100011215641 [1,1,0,0,0,0|1,0,0]=3 3335 B9R0.2 CCCSCCCC(=O)C 62a_100011215641_100000210303 [1,1,0,0,0,0|1,0,0]=3 3336 B9R0.2 CCCSCCCC(=O)N 62a_100000210303_100102525003 [1,1,0,0,0,0|1,0,0]=3 3337 B9R0.2 CCCSCCCC(=O)N 62a_100102525003_100000210303 [1,1,0,0,0,0|1,0,0]=3 3338 B9R0.2 CCCSCCCC(C)O 62a_100000210303_200000718107 [1,1,0,0,0,0|1,0,1]=4 3339 B9R0.2 CCCSCCCC(C)O 62a_200000718107_100000210303 [1,1,0,0,0,0|1,0,1]=4 3340 B9R0.2 CCCSCCNC(=O)C 11a_100020603323_100015343762 [1,1,0,0,0,0|2,0,0]=4 3341 B9R0.2 CCCSCCNC(=O)C 240690a_100020603323_100015343762 [1,1,0,0,0,0|2,0,0]=4 3342 B9R0.2 CCCSCCNC(=O)C 527a_100020603323_100103153847 [1,1,0,0,0,0|2,0,0]=4 3343 B9R0.2 CCCSCCNC(=O)C 62a_100000189650_100000210303 [1,1,0,0,0,0|2,0,0]=4 3344 B9R0.2 CCCSCCNC(=O)C 62a_100000210303_100000189650 [1,1,0,0,0,0|2,0,0]=4 3345 B9R0.2 CCCSCCNC(=O)N 62a_100000210303_200000034859 [1,1,0,0,0,0|2,0,0]=4 3346 B9R0.2 CCCSCCNC(=O)N 62a_200000034859_100000210303 [1,1,0,0,0,0|2,0,0]=4 3347 B9R0.2 CCCSCCOC(=O)C 62a_100000210303_100009814007 [1,1,0,0,0,0|2,0,0]=4 3348 B9R0.2 CCCSCCOC(=O)C 62a_100009814007_100000210303 [1,1,0,0,0,0|2,0,0]=4 3349 B9R0.2 CCCSCCOC(=O)N 62a_100000210303_200011214921 [1,1,0,0,0,0|2,0,0]=4 3350 B9R0.2 CCCSCCOC(=O)N 62a_200011214921_100000210303 [1,1,0,0,0,0|2,0,0]=4 3351 B9R0.2 CCNCCCCB(O)O 2230a_100015525214_200009817182 [1,1,0,0,0,0|1,0,1]=4 3352 B9R0.2 CCNCCCCC(=O)N 34a_100000696515_100000210202 [1,1,0,0,0,0|1,0,0]=3 3353 B9R0.2 CCNCCCNC(=O)C 34a_100000736810_100000210202 [1,1,0,0,0,0|2,0,0]=4 3354 B9R0.2 CCNCCCSC(=O)C 2230a_100015525214_100000038929 [1,1,0,0,0,0|2,0,0]=4 3355 B9R0.2 CCNCCOCC(=O)N 2230a_100015525214_100000076697 [1,1,0,0,0,0|2,0,0]=4 3356 B9R0.2 CCNCCOCC(=O)O 269956a_100000700818_100000210202 [1,1,0,0,0,0|1,0,0]=3 3357 B9R0.2 CCOCCCCB(O)O 34a_100121572206_200009817182 [1,1,0,0,0,0|1,0,1]=4 3358 B9R0.2 CCOCCCCC(=O)C 34a_100121572206_100009817362 [1,1,0,0,0,0|1,0,0]=3 3359 B9R0.2 CCOCCCCC(=O)N 34a_100012022536_100000210202 [1,1,0,0,0,0|1,0,0]=3 3360 B9R0.2 CCOCCCCC(=O)N 7a_100012022536_100000210202 [1,1,0,0,0,0|1,0,0]=3 3361 B9R0.2 CCOCCCC[N+](=O)[O-] 34a_200015379883_100000210202 [1,1,0,0,0,0|1,0,1]=4 3362 B9R0.2 CCOCCCC[N+](=O)[O-] 7a_200015379883_100000210202 [1,1,0,0,0,0|1,0,1]=4 3363 B9R0.2 CCOCCCNC(=O)C 11a_100000210961_100015343762 [1,1,0,0,0,0|2,0,0]=4 3364 B9R0.2 CCOCCCNC(=O)C 1626a_100000210961_100015343762 [1,1,0,0,0,0|2,0,0]=4 3365 B9R0.2 CCOCCCNC(=O)C 240690a_100000210961_100015343762 [1,1,0,0,0,0|2,0,0]=4 3366 B9R0.2 CCOCCCNC(=O)C 34a_100000752032_100000210202 [1,1,0,0,0,0|2,0,0]=4 3367 B9R0.2 CCOCCCNC(=O)C 527a_100000210961_100103153847 [1,1,0,0,0,0|2,0,0]=4 3368 B9R0.2 CCOCCCOC(=O)C 34a_100121572206_100000042594 [1,1,0,0,0,0|2,0,0]=4 3369 B9R0.2 CCOCCCSC(=O)C 34a_100121572206_100000038929 [1,1,0,0,0,0|2,0,0]=4 3370 B9R0.2 CCOCCNCC(=O)N 2230a_100000711301_100011215890 [1,1,0,0,0,0|2,0,0]=4 3371 B9R0.2 CCOCCNCC(=O)N 2230a_102516460346_100000747473 [1,1,0,0,0,0|2,0,0]=4 3372 B9R0.2 CCOCCNCC(=O)N 34a_102516460346_100000187820 [1,1,0,0,0,0|2,0,0]=4 3373 B9R0.2 CCOCCNCC(=O)O 269956a_100016091260_100000210147 [1,1,0,0,0,0|1,0,0]=3 3374 B9R0.2 CCOCCNCC(=O)[O-] 34a_102516460346_100020667443 [1,1,0,0,0,0|1,0,1]=4 3375 B9R0.2 CCOCCOCC(=O)C 34a_100000211253_100000210147 [1,1,0,0,0,0|2,0,0]=4 3376 B9R0.2 CCOCCOCC(=O)N 34a_100000210136_100000187820 [1,1,0,0,0,0|2,0,0]=4 3377 B9R0.2 CCOCCOCC(=O)N 34a_100121572206_100000076697 [1,1,0,0,0,0|2,0,0]=4 3378 B9R0.2 CCOCCOCC(=O)N 7a_100000210136_100000187820 [1,1,0,0,0,0|2,0,0]=4 3379 B9R0.2 CCOCCOCC(=O)[O-] 34a_100000210136_100020667443 [1,1,0,0,0,0|1,0,1]=4 3380 B9R0.2 CCOCCSCC(=O)N 62a_100000210147_100000747473 [1,1,0,0,0,0|2,0,0]=4 3381 B9R0.2 CCOCCSCC(=O)N 62a_100000747473_100011215890 [1,1,0,0,0,0|2,0,0]=4 3382 B9R0.2 CCOCCSCC(=O)[O-] 62a_100000210147_100020667443 [1,1,0,0,0,0|1,0,1]=4 3383 B9R0.2 CCOCCSCC(=O)[O-] 62a_100020667443_100011215890 [1,1,0,0,0,0|1,0,1]=4 3384 B9R0.2 CCOCNOCC(=O)O 269956a_100000106656_100000739092 [1,1,0,0,0,0|2,0,0]=4 3385 B9R0.2 CCOCSCCC(=O)C 62a_100000053229_100000739092 [1,1,0,0,0,0|2,0,0]=4 3386 B9R0.2 CCOCSCCC(=O)C 62a_100000739092_100000053229 [1,1,0,0,0,0|2,0,0]=4 3387 B9R0.2 CCOCSCCC(=O)N 62a_100000739092_100000744528 [1,1,0,0,0,0|2,0,0]=4 3388 B9R0.2 CCOCSCCC(=O)N 62a_100000744528_100000739092 [1,1,0,0,0,0|2,0,0]=4 3389 B9R0.2 CCSCCCCB(O)O 62a_100000210202_200009817182 [1,1,0,0,0,0|1,0,1]=4 3390 B9R0.2 CCSCCCCB(O)O 62a_200009817182_100000210202 [1,1,0,0,0,0|1,0,1]=4 3391 B9R0.2 CCSCCCCC(=O)C 62a_100000210202_100000735457 [1,1,0,0,0,0|1,0,0]=3 3392 B9R0.2 CCSCCCCC(=O)C 62a_100000735457_100000210202 [1,1,0,0,0,0|1,0,0]=3 3393 B9R0.2 CCSCCCOC(=O)C 62a_100000042594_100000210202 [1,1,0,0,0,0|2,0,0]=4 3394 B9R0.2 CCSCCCOC(=O)C 62a_100000210202_100000042594 [1,1,0,0,0,0|2,0,0]=4 3395 B9R0.2 CCSCCCSC(=O)C 62a_100000038929_100000210202 [1,1,0,0,0,0|2,0,0]=4 3396 B9R0.2 CCSCCCSC(=O)C 62a_100000210202_100000038929 [1,1,0,0,0,0|2,0,0]=4 3397 B9R0.2 CCSCCNCC(=O)N 2230a_100000106463_100000747473 [1,1,0,0,0,0|2,0,0]=4 3398 B9R0.2 CCSCCNCC(=O)N 2230a_100000711301_100000757381 [1,1,0,0,0,0|2,0,0]=4 3399 B9R0.2 CCSCCNCC(=O)O 269956a_100016091260_100000757381 [1,1,0,0,0,0|1,0,0]=3 3400 B9R0.2 CCSCCOCC(=O)C 34a_100000211253_100000757381 [1,1,0,0,0,0|2,0,0]=4 3401 B9R0.2 CCSCCOCC(=O)N 34a_100000212035_100000187820 [1,1,0,0,0,0|2,0,0]=4 3402 B9R0.2 CCSCCOCC(=O)N 62a_100000076697_100000210202 [1,1,0,0,0,0|2,0,0]=4 3403 B9R0.2 CCSCCOCC(=O)N 62a_100000210202_100000076697 [1,1,0,0,0,0|2,0,0]=4 3404 B9R0.2 CCSCCOCC(=O)N 7a_100000212035_100000187820 [1,1,0,0,0,0|2,0,0]=4 3405 B9R0.2 CCSCCOCC(=O)[O-] 34a_100000212035_100020667443 [1,1,0,0,0,0|1,0,1]=4 3406 B9R0.2 CCSCCSCC(=O)N 62a_100000747473_100000757381 [1,1,0,0,0,0|2,0,0]=4 3407 B9R0.2 CCSCCSCC(=O)N 62a_100000757381_100000747473 [1,1,0,0,0,0|2,0,0]=4 3408 B9R0.2 CCSCCSCC(=O)[O-] 62a_100000757381_100020667443 [1,1,0,0,0,0|1,0,1]=4 3409 B9R0.2 CCSCCSCC(=O)[O-] 62a_100020667443_100000757381 [1,1,0,0,0,0|1,0,1]=4 3410 B9R0.2 CNCCCCCB(O)O 2230a_106832991635_200009817188 [1,1,0,0,0,0|1,0,1]=4 3411 B9R0.2 CNCCCCCB(O)O 34a_100102657272_200009817188 [1,1,0,0,0,0|1,0,1]=4 3412 B9R0.2 CNCCCCCB(O)O 7a_106832991635_200009817188 [1,1,0,0,0,0|1,0,1]=4 3413 B9R0.2 CNCCCCCC(=O)N 2230a_106832991635_100009817443 [1,1,0,0,0,0|1,0,0]=3 3414 B9R0.2 CNCCCCCC(=O)N 34a_100102657272_100009817443 [1,1,0,0,0,0|1,0,0]=3 3415 B9R0.2 CNCCCCCC(=O)N 7a_106832991635_100009817443 [1,1,0,0,0,0|1,0,0]=3 3416 B9R0.2 CNCCCCNC(=O)C 2230a_200011368371_200000210301 [1,1,0,0,0,0|2,0,0]=4 3417 B9R0.2 CNCCCCNC(=O)C 34a_200011368371_200000210301 [1,1,0,0,0,0|2,0,0]=4 3418 B9R0.2 CNCCCCOC(=O)C 34a_100102657272_100000033659 [1,1,0,0,0,0|2,0,0]=4 3419 B9R0.2 CNCCCCOC(=O)C 7a_106832991635_100000033659 [1,1,0,0,0,0|2,0,0]=4 3420 B9R0.2 CNCCCCSC(=O)C 2230a_106832991635_200010402107 [1,1,0,0,0,0|2,0,0]=4 3421 B9R0.2 CNCCCCSC(=O)C 34a_100102657272_200010402107 [1,1,0,0,0,0|2,0,0]=4 3422 B9R0.2 CNCCCCSC(=O)C 7a_106832991635_200010402107 [1,1,0,0,0,0|2,0,0]=4 3423 B9R0.2 CNCCCOCC(=O)N 34a_100000213112_100000187820 [1,1,0,0,0,0|2,0,0]=4 3424 B9R0.2 CNCCCOCC(=O)[O-] 34a_100000213112_100020667443 [1,1,0,0,0,0|1,0,1]=4 3425 B9R0.2 COCCCCCB(O)O 34a_100138415774_200009817188 [1,1,0,0,0,0|1,0,1]=4 3426 B9R0.2 COCCCCCC(=O)C 1458a_100011935119_200000210301 [1,1,0,0,0,0|1,0,0]=3 3427 B9R0.2 COCCCCCC(=O)N 34a_100000123541_200000210301 [1,1,0,0,0,0|1,0,0]=3 3428 B9R0.2 COCCCCCC(=O)N 34a_100138415774_100009817443 [1,1,0,0,0,0|1,0,0]=3 3429 B9R0.2 COCCCCCC(=O)N 7a_100000123541_200000210301 [1,1,0,0,0,0|1,0,0]=3 3430 B9R0.2 COCCCCCC(=O)[13CH3] 1458a_100011935119_200025704644 [1,1,0,0,0,0|1,0,0]=3 3431 B9R0.2 COCCCCCC(=O)[O-] 7a_100102619762_200000210301 [1,1,0,0,0,0|0,0,1]=3 3432 B9R0.2 COCCCCOC(=O)C 34a_100000073216_200000210301 [1,1,0,0,0,0|2,0,0]=4 3433 B9R0.2 COCCCCOC(=O)C 34a_100138415774_100000033659 [1,1,0,0,0,0|2,0,0]=4 3434 B9R0.2 COCCCCOC(=O)C 7a_100000073216_200000210301 [1,1,0,0,0,0|2,0,0]=4 3435 B9R0.2 COCCCCSC(=O)C 34a_100138415774_200010402107 [1,1,0,0,0,0|2,0,0]=4 3436 B9R0.2 COCCCNCC(=O)N 2230a_100000711301_100000740836 [1,1,0,0,0,0|2,0,0]=4 3437 B9R0.2 COCCCNCC(=O)N 34a_100150723488_100000187820 [1,1,0,0,0,0|2,0,0]=4 3438 B9R0.2 COCCCNCC(=O)O 269956a_100016091260_100000740836 [1,1,0,0,0,0|1,0,0]=3 3439 B9R0.2 COCCCNCC(=O)[O-] 34a_100150723488_100020667443 [1,1,0,0,0,0|1,0,1]=4 3440 B9R0.2 COCCCOCC(=O)C 34a_100000211253_100000740836 [1,1,0,0,0,0|2,0,0]=4 3441 B9R0.2 COCCCOCC(=O)N 34a_100000740835_100000187820 [1,1,0,0,0,0|2,0,0]=4 3442 B9R0.2 COCCCOCC(=O)[O-] 34a_100000740835_100020667443 [1,1,0,0,0,0|1,0,1]=4 3443 B9R0.2 COCCCSCC(=O)N 62a_100000709357_100000747473 [1,1,0,0,0,0|2,0,0]=4 3444 B9R0.2 COCCCSCC(=O)N 62a_100000747473_100000709357 [1,1,0,0,0,0|2,0,0]=4 3445 B9R0.2 COCCCSCC(=O)[O-] 62a_100000709357_100020667443 [1,1,0,0,0,0|1,0,1]=4 3446 B9R0.2 COCCCSCC(=O)[O-] 62a_100020667443_100000709357 [1,1,0,0,0,0|1,0,1]=4 3447 B9R0.2 COCCNCCC(=O)N 2230a_100000209980_100000744528 [1,1,0,0,0,0|2,0,0]=4 3448 B9R0.2 COCCNOCC(=O)O 269956a_100000106656_100000233755 [1,1,0,0,0,0|2,0,0]=4 3449 B9R0.2 COCCOCCC(=O)C 1458a_100000070787_100000695917 [1,1,0,0,0,0|2,0,0]=4 3450 B9R0.2 COCCOCCC(=O)C 1458a_100000745395_200000210301 [1,1,0,0,0,0|2,0,0]=4 3451 B9R0.2 COCCOCCC(=O)C 34a_100000759926_100011201679 [1,1,0,0,0,0|2,0,0]=4 3452 B9R0.2 COCCOCCC(=O)C 7a_100000759926_100000233755 [1,1,0,0,0,0|2,0,0]=4 3453 B9R0.2 COCCOCCC(=O)N 34a_100000210237_100000731001 [1,1,0,0,0,0|2,0,0]=4 3454 B9R0.2 COCCOCCC(=O)N 34a_100000757172_100011201679 [1,1,0,0,0,0|2,0,0]=4 3455 B9R0.2 COCCOCCC(=O)N 7a_100000757172_100000233755 [1,1,0,0,0,0|2,0,0]=4 3456 B9R0.2 COCCOCCC(=O)[13CH3] 1458a_100000745395_200025704644 [1,1,0,0,0,0|2,0,0]=4 3457 B9R0.2 COCCSCCC(=O)C 62a_100000053229_100000233755 [1,1,0,0,0,0|2,0,0]=4 3458 B9R0.2 COCCSCCC(=O)C 62a_100000233755_100000053229 [1,1,0,0,0,0|2,0,0]=4 3459 B9R0.2 COCCSCCC(=O)N 62a_100000233755_100000744528 [1,1,0,0,0,0|2,0,0]=4 3460 B9R0.2 COCCSCCC(=O)N 62a_100000744528_100000233755 [1,1,0,0,0,0|2,0,0]=4 3461 B9R0.2 COCSCCCC(=O)C 62a_100000766300_100011215641 [1,1,0,0,0,0|2,0,0]=4 3462 B9R0.2 COCSCCCC(=O)C 62a_100011215641_100000766300 [1,1,0,0,0,0|2,0,0]=4 3463 B9R0.2 COCSCCCC(=O)N 62a_100000766300_100102525003 [1,1,0,0,0,0|2,0,0]=4 3464 B9R0.2 COCSCCCC(=O)N 62a_100102525003_100000766300 [1,1,0,0,0,0|2,0,0]=4 3465 B9R0.2 CSCCCCCB(O)O 62a_200000210301_200009817188 [1,1,0,0,0,0|1,0,1]=4 3466 B9R0.2 CSCCCCCB(O)O 62a_200009817188_200000210301 [1,1,0,0,0,0|1,0,1]=4 3467 B9R0.2 CSCCCCCC(=O)N 62a_100009817443_200000210301 [1,1,0,0,0,0|1,0,0]=3 3468 B9R0.2 CSCCCCCC(=O)N 62a_200000210301_100009817443 [1,1,0,0,0,0|1,0,0]=3 3469 B9R0.2 CSCCCCOC(=O)C 62a_100000033659_200000210301 [1,1,0,0,0,0|2,0,0]=4 3470 B9R0.2 CSCCCCOC(=O)C 62a_200000210301_100000033659 [1,1,0,0,0,0|2,0,0]=4 3471 B9R0.2 CSCCCCSC(=O)C 62a_200000210301_200010402107 [1,1,0,0,0,0|2,0,0]=4 3472 B9R0.2 CSCCCCSC(=O)C 62a_200010402107_200000210301 [1,1,0,0,0,0|2,0,0]=4 3473 B9R0.2 CSCCCNCC(=O)N 2230a_100000749238_100000747473 [1,1,0,0,0,0|2,0,0]=4 3474 B9R0.2 CSCCCOCC(=O)N 34a_100000690336_100000187820 [1,1,0,0,0,0|2,0,0]=4 3475 B9R0.2 CSCCCOCC(=O)N 7a_100000690336_100000187820 [1,1,0,0,0,0|2,0,0]=4 3476 B9R0.2 CSCCCOCC(=O)[O-] 34a_100000690336_100020667443 [1,1,0,0,0,0|1,0,1]=4 3477 B9R0.2 CSCCNCCC(=O)N 2230a_100020590264_100000744528 [1,1,0,0,0,0|2,0,0]=4 3478 B9R0.2 CSCCNOCC(=O)O 269956a_100000106656_100000212216 [1,1,0,0,0,0|2,0,0]=4 3479 B9R0.2 CSCCOCCC(=O)C 34a_100000759926_100000212216 [1,1,0,0,0,0|2,0,0]=4 3480 B9R0.2 CSCCOCCC(=O)C 7a_100000230434_100000053229 [1,1,0,0,0,0|2,0,0]=4 3481 B9R0.2 CSCCOCCC(=O)C 7a_100000759926_100000212216 [1,1,0,0,0,0|2,0,0]=4 3482 B9R0.2 CSCCOCCC(=O)N 34a_100000230434_100000731001 [1,1,0,0,0,0|2,0,0]=4 3483 B9R0.2 CSCCOCCC(=O)N 34a_100000757172_100000212216 [1,1,0,0,0,0|2,0,0]=4 3484 B9R0.2 CSCCOCCC(=O)N 7a_100000230434_100000744528 [1,1,0,0,0,0|2,0,0]=4 3485 B9R0.2 CSCCOCCC(=O)N 7a_100000757172_100000212216 [1,1,0,0,0,0|2,0,0]=4 3486 B9R0.2 CSCCSCCC(=O)C 62a_100000053229_100000751147 [1,1,0,0,0,0|2,0,0]=4 3487 B9R0.2 CSCCSCCC(=O)C 62a_100000212216_100000053229 [1,1,0,0,0,0|2,0,0]=4 3488 B9R0.2 CSCCSCCC(=O)N 62a_100000212216_100000744528 [1,1,0,0,0,0|2,0,0]=4 3489 B9R0.2 CSCCSCCC(=O)N 62a_100000744528_100000751147 [1,1,0,0,0,0|2,0,0]=4 3490 B9R0.2 CSCNCCCC(=O)N 34a_100000739312_100011218213 [1,1,0,0,0,0|2,0,0]=4 3491 B9R0.2 CSCOCCCC(=O)C 34a_100000759063_100011218213 [1,1,0,0,0,0|2,0,0]=4 3492 B9R0.2 CSCSCCCC(=O)C 62a_100011215641_100011218213 [1,1,0,0,0,0|2,0,0]=4 3493 B9R0.2 CSCSCCCC(=O)C 62a_100011218213_100011215641 [1,1,0,0,0,0|2,0,0]=4 3494 B9R0.2 CSCSCCCC(=O)N 62a_100011218213_100102525003 [1,1,0,0,0,0|2,0,0]=4 3495 B9R0.2 CSCSCCCC(=O)N 62a_100102525003_100011218213 [1,1,0,0,0,0|2,0,0]=4 3496 B9R0.2 N#CCCCNCC(=O)O 269956a_100016091260_100000687738 [1,1,0,0,0,0|1,0,1]=4 3497 B9R0.2 NC(=O)CCCCNCF 34a_100000696515_100015361967 [1,1,0,0,0,0|2,0,0]=4 3498 B9R0.2 NC(=O)CCCCOCF 34a_100012022536_100015361967 [1,1,0,0,0,0|2,0,0]=4 3499 B9R0.2 NC(=O)CCCCOCF 7a_100012022536_100015361967 [1,1,0,0,0,0|2,0,0]=4 3500 B9R0.2 NC(=O)CCCNCCF 34a_100000724931_100102525003 [1,1,0,0,0,0|2,0,0]=4 3501 B9R0.2 NC(=O)CCCNCCF 34a_100000739312_100011217306 [1,1,0,0,0,0|2,0,0]=4 3502 B9R0.2 NC(=O)CCCNCCO 34a_100000739312_100000211926 [1,1,0,0,0,0|2,0,0]=4 3503 B9R0.2 NC(=O)CCCNCCO 34a_100016990907_100102525003 [1,1,0,0,0,0|2,0,0]=4 3504 B9R0.2 NC(=O)CCCOCCBr 34a_100000211926_100102525003 [1,1,0,0,0,0|2,0,0]=4 3505 B9R0.2 NC(=O)CCCSCCF 62a_100011217306_100102525003 [1,1,0,0,0,0|2,0,0]=4 3506 B9R0.2 NC(=O)CCCSCCF 62a_100102525003_100011217306 [1,1,0,0,0,0|2,0,0]=4 3507 B9R0.2 NC(=O)CCCSCCO 62a_100000211926_100102525003 [1,1,0,0,0,0|2,0,0]=4 3508 B9R0.2 NC(=O)CCCSCCO 62a_100102525003_100000211926 [1,1,0,0,0,0|2,0,0]=4 3509 B9R0.2 NC(=O)CCNCCCF 2230a_100015189416_100000744528 [1,1,0,0,0,0|2,0,0]=4 3510 B9R0.2 NC(=O)CCNCCCF 34a_100015189416_100000731001 [1,1,0,0,0,0|2,0,0]=4 3511 B9R0.2 NC(=O)CCOCCCBr 34a_100011217188_100000731001 [1,1,0,0,0,0|2,0,0]=4 3512 B9R0.2 NC(=O)CCOCCCCl 34a_100000230001_100000731001 [1,1,0,0,0,0|2,0,0]=4 3513 B9R0.2 NC(=O)CCOCCCF 34a_100000757172_100011934791 [1,1,0,0,0,0|2,0,0]=4 3514 B9R0.2 NC(=O)CCOCCCF 34a_100000759539_100000731001 [1,1,0,0,0,0|2,0,0]=4 3515 B9R0.2 NC(=O)CCOCCCF 7a_100000757172_100011934791 [1,1,0,0,0,0|2,0,0]=4 3516 B9R0.2 NC(=O)CCOCCCO 34a_100000757172_100000230001 [1,1,0,0,0,0|2,0,0]=4 3517 B9R0.2 NC(=O)CCOCCCO 7a_100000757172_100011215043 [1,1,0,0,0,0|2,0,0]=4 3518 B9R0.2 NC(=O)CCSCCCF 62a_100000744528_100011934791 [1,1,0,0,0,0|2,0,0]=4 3519 B9R0.2 NC(=O)CCSCCCF 62a_100011934791_100000744528 [1,1,0,0,0,0|2,0,0]=4 3520 B9R0.2 NC(=O)CCSCCCO 62a_100000744528_100011215043 [1,1,0,0,0,0|2,0,0]=4 3521 B9R0.2 NC(=O)CCSCCCO 62a_100011215043_100000744528 [1,1,0,0,0,0|2,0,0]=4 3522 B9R0.2 NC(=O)CNCCCCF 2230a_100000711301_100000729493 [1,1,0,0,0,0|2,0,0]=4 3523 B9R0.2 NC(=O)CNCCCCO 2230a_100000711301_100000210776 [1,1,0,0,0,0|2,0,0]=4 3524 B9R0.2 NC(=O)CNCCCCO 2230a_100000750430_100000747473 [1,1,0,0,0,0|2,0,0]=4 3525 B9R0.2 NC(=O)CNCCCCO 34a_100000750430_100000187820 [1,1,0,0,0,0|2,0,0]=4 3526 B9R0.2 NC(=O)COCCCCBr 34a_100011216708_100000187820 [1,1,0,0,0,0|2,0,0]=4 3527 B9R0.2 NC(=O)COCCCCCl 34a_100000210776_100000187820 [1,1,0,0,0,0|2,0,0]=4 3528 B9R0.2 NC(=O)COCCCCCl 7a_100000210776_100000187820 [1,1,0,0,0,0|2,0,0]=4 3529 B9R0.2 NC(=O)COCCCCF 34a_100011995726_100000187820 [1,1,0,0,0,0|2,0,0]=4 3530 B9R0.2 NC(=O)COCCCCF 7a_100011995726_100000187820 [1,1,0,0,0,0|2,0,0]=4 3531 B9R0.2 NC(=O)COCCCCI 34a_200012148704_100000187820 [1,1,0,0,0,0|2,0,0]=4 3532 B9R0.2 NC(=O)CSCCCCF 62a_100000729493_100000747473 [1,1,0,0,0,0|2,0,0]=4 3533 B9R0.2 NC(=O)CSCCCCF 62a_100000747473_100000729493 [1,1,0,0,0,0|2,0,0]=4 3534 B9R0.2 NC(=O)CSCCCCO 62a_100000210776_100000747473 [1,1,0,0,0,0|2,0,0]=4 3535 B9R0.2 NC(=O)CSCCCCO 62a_100000747473_100000210776 [1,1,0,0,0,0|2,0,0]=4 3536 B9R0.2 NCCCCOCC(=O)N 34a_100000750430_100000187820 [1,1,0,0,0,0|2,0,0]=4 3537 B9R0.2 NCCCCOCC(=O)[O-] 34a_100000750430_100020667443 [1,1,0,0,0,0|1,0,1]=4 3538 B9R0.2 NCCCOCCC(=O)N 34a_100000182051_100000731001 [1,1,0,0,0,0|2,0,0]=4 3539 B9R0.2 NCCOCCCC(=O)N 34a_100000210304_100102525003 [1,1,0,0,0,0|2,0,0]=4 3540 B9R0.2 O=C(O)CNCCCCF 269956a_100016091260_100000729493 [1,1,0,0,0,0|1,0,0]=3 3541 B9R0.2 O=C(O)CNCCCCO 269956a_100016091260_100000210776 [1,1,0,0,0,0|1,0,0]=3 3542 B9R0.2 O=C(O)COCCNCF 269956a_100000700818_100015361967 [1,1,0,0,0,0|2,0,0]=4 3543 B9R0.2 O=C(O)CONCCCF 269956a_100000106656_100011934791 [1,1,0,0,0,0|2,0,0]=4 3544 B9R0.2 O=C(O)CONCCCO 269956a_100000106656_100011215043 [1,1,0,0,0,0|2,0,0]=4 3545 B9R0.2 O=C([O-])CNCCCCO 34a_100000750430_100020667443 [1,1,0,0,0,0|1,0,1]=4 3546 B9R0.2 O=C([O-])COCCCCBr 34a_100011216708_100020667443 [1,1,0,0,0,0|1,0,1]=4 3547 B9R0.2 O=C([O-])COCCCCCl 34a_100000210776_100020667443 [1,1,0,0,0,0|1,0,1]=4 3548 B9R0.2 O=C([O-])COCCCCF 34a_100011995726_100020667443 [1,1,0,0,0,0|1,0,1]=4 3549 B9R0.2 O=C([O-])COCCCCI 34a_200012148704_100020667443 [1,1,0,0,0,0|1,0,1]=4 3550 B9R0.2 O=C([O-])CSCCCCF 62a_100000729493_100020667443 [1,1,0,0,0,0|1,0,1]=4 3551 B9R0.2 O=C([O-])CSCCCCF 62a_100020667443_100000729493 [1,1,0,0,0,0|1,0,1]=4 3552 B9R0.2 O=C([O-])CSCCCCO 62a_100000210776_100020667443 [1,1,0,0,0,0|1,0,1]=4 3553 B9R0.2 O=C([O-])CSCCCCO 62a_100020667443_100000210776 [1,1,0,0,0,0|1,0,1]=4 3554 B9R0.2 O=CCCCNCC(=O)O 269956a_100016091260_200011292268 [1,1,0,0,0,0|1,0,1]=4 3555 B9R0.2 [13CH3]C(=O)CCCCCCO 1458a_100011996774_200025704644 [1,1,0,0,0,0|1,0,0]=3 3556 B9R0.2 [13CH3]OCCCCCC(=O)N 34a_100000123541_200025704644 [1,1,0,0,0,0|1,0,0]=3 3557 B9R0.2 [13CH3]OCCCCCC(=O)N 7a_100000123541_200025704644 [1,1,0,0,0,0|1,0,0]=3 3558 B9R0.2 [13CH3]OCCCCCC(=O)[O-] 7a_100102619762_200025704644 [1,1,0,0,0,0|0,0,1]=3 3559 B9R0.2 [13CH3]SCCCCCB(O)O 62a_200009817188_200025704644 [1,1,0,0,0,0|1,0,1]=4 3560 B9R0.2 [13CH3]SCCCCCB(O)O 62a_200025704644_200009817188 [1,1,0,0,0,0|1,0,1]=4 3561 B9R0.2 [13CH3]SCCCCCC(=O)N 62a_100009817443_200025704644 [1,1,0,0,0,0|1,0,0]=3 3562 B9R0.2 [13CH3]SCCCCCC(=O)N 62a_200025704644_100009817443 [1,1,0,0,0,0|1,0,0]=3 3563 B9R0.4 CCCCC(=O)CC(=O)N 1458a_100000210183_100000187820 [1,1,0,0,0,0|1,0,1]=4 3564 B9R0.4 CCCCC(=O)CC(=O)N 1458a_100134613110_100000210211 [1,1,0,0,0,0|1,0,1]=4 3565 B9R0.4 CCCCC(=O)CC(=O)[O-] 1458a_100000210183_100020667443 [1,1,0,0,0,0|0,0,2]=4 3566 B9R0.4 CCCCC(C)NC(=O)C 11a_100000126638_100015343762 [1,1,0,0,0,0|2,0,0]=4 3567 B9R0.4 CCCCC(C)NC(=O)C 1626a_100000126638_100015343762 [1,1,0,0,0,0|2,0,0]=4 3568 B9R0.4 CCCCC(C)NC(=O)C 240690a_100000126638_100015343762 [1,1,0,0,0,0|2,0,0]=4 3569 B9R0.4 CCCCC(C)NC(=O)C 527a_100000126638_100103153847 [1,1,0,0,0,0|2,0,0]=4 3570 B9R0.4 CCCCN(C)CC(=O)N 2230a_100000207549_100000747473 [1,1,0,0,0,0|2,0,0]=4 3571 B9R0.4 CCCCN(C)CC(=O)N 2230a_100000739694_100000210211 [1,1,0,0,0,0|2,0,0]=4 3572 B9R0.4 CCCCN(C)CC(=O)N 269982a_100000207549_100000187820 [1,1,0,0,0,0|2,0,0]=4 3573 B9R0.4 CCCCN(C)CC(=O)O 269956a_100000746989_100000210211 [1,1,0,0,0,0|1,0,0]=3 3574 B9R0.4 CCCCN(C)CC(=O)[O-] 269982a_100000207549_100020667443 [1,1,0,0,0,0|1,0,1]=4 3575 B9R0.4 CCNCC(O)CC(=O)O 269956a_100011218706_100000210202 [1,1,0,0,0,0|1,0,0]=3 3576 B9R0.4 CCOCN(C)CC(=O)O 269956a_100000746989_100000739092 [1,1,0,0,0,0|2,0,0]=4 3577 B9R0.4 CN(CCCF)CC(=O)O 269956a_100000746989_100011934791 [1,1,0,0,0,0|2,0,0]=4 3578 B9R0.4 CN(CCCO)CC(=O)O 269956a_100000746989_100011215043 [1,1,0,0,0,0|2,0,0]=4 3579 B9R0.4 COCCN(C)CC(=O)O 269956a_100000746989_100000233755 [1,1,0,0,0,0|2,0,0]=4 3580 B9R0.4 CSCCN(C)CC(=O)O 269956a_100000746989_100000212216 [1,1,0,0,0,0|2,0,0]=4 3581 B9R0.4 O=C(O)CC(O)CNCF 269956a_100011218706_100015361967 [1,1,0,0,0,0|2,0,0]=4 3582 B9R0.48 CC(CCO)NCC(=O)O 269956a_100016091260_100009893172 [1,1,0,0,0,0|2,0,0]=4 3583 B9R0.48 CCCC(=O)CCC(=O)N 1458a_100011215257_100000210303 [1,1,0,0,0,0|1,0,1]=4 3584 B9R0.48 CCCC(C)NCC(=O)N 2230a_100000711301_100000766640 [1,1,0,0,0,0|2,0,0]=4 3585 B9R0.48 CCCC(C)NCC(=O)N 2230a_100000741246_100000747473 [1,1,0,0,0,0|2,0,0]=4 3586 B9R0.48 CCCC(C)NCC(=O)O 269956a_100016091260_100000766640 [1,1,0,0,0,0|1,0,0]=3 3587 B9R0.48 CCCC(C)OCC(=O)C 34a_100000211253_100000766640 [1,1,0,0,0,0|2,0,0]=4 3588 B9R0.48 CCCC(C)OCC(=O)N 34a_100000764384_100000187820 [1,1,0,0,0,0|2,0,0]=4 3589 B9R0.48 CCCC(C)OCC(=O)N 7a_100000764384_100000187820 [1,1,0,0,0,0|2,0,0]=4 3590 B9R0.48 CCCC(C)OCC(=O)[O-] 34a_100000764384_100020667443 [1,1,0,0,0,0|1,0,1]=4 3591 B9R0.48 CCCC(C)SCC(=O)N 62a_100000747473_100000766640 [1,1,0,0,0,0|2,0,0]=4 3592 B9R0.48 CCCC(C)SCC(=O)N 62a_100000766640_100000747473 [1,1,0,0,0,0|2,0,0]=4 3593 B9R0.48 CCCC(C)SCC(=O)[O-] 62a_100000766640_100020667443 [1,1,0,0,0,0|1,0,1]=4 3594 B9R0.48 CCCC(C)SCC(=O)[O-] 62a_100020667443_100000766640 [1,1,0,0,0,0|1,0,1]=4 3595 B9R0.48 CCCN(C)CCC(=O)C 269982a_100000747261_100000053229 [1,1,0,0,0,0|2,0,0]=4 3596 B9R0.48 CCCN(C)CCC(=O)N 2230a_100000730477_100000210303 [1,1,0,0,0,0|2,0,0]=4 3597 B9R0.48 CCCN(C)CCC(=O)N 2230a_100000747261_100000744528 [1,1,0,0,0,0|2,0,0]=4 3598 B9R0.48 CCCN(C)CCC(=O)N 269982a_100000747261_100000744528 [1,1,0,0,0,0|2,0,0]=4 3599 B9R0.48 COCC(C)NCC(=O)O 269956a_100016091260_100000765312 [1,1,0,0,0,0|2,0,0]=4 3600 B9R0.55 C=C(C)CCNCC(=O)O 269956a_100016091260_100000730704 [1,1,0,0,0,0|1,0,1]=4 3601 B9R0.55 CC(=O)CCCCC(=O)C 1458a_100000070787_100000735457 [1,1,0,0,0,0|1,0,1]=4 3602 B9R0.55 CC(=O)CCCCC(C)C 1458a_100000070787_100011216152 [1,1,0,0,0,0|1,0,0]=3 3603 B9R0.55 CC(=O)CCCCC(C)C 1458a_100011933920_200000210301 [1,1,0,0,0,0|1,0,0]=3 3604 B9R0.55 CC(=O)CCCCN(C)C 269982a_100102631434_100000735457 [1,1,0,0,0,0|2,0,0]=4 3605 B9R0.55 CC(=O)CCCNC(C)C 34a_100138425928_100000685027 [1,1,0,0,0,0|2,0,0]=4 3606 B9R0.55 CC(=O)CCCOC(C)C 34a_100000212225_100000685027 [1,1,0,0,0,0|2,0,0]=4 3607 B9R0.55 CC(=O)CCCOC(C)C 34a_100000759063_100000210206 [1,1,0,0,0,0|2,0,0]=4 3608 B9R0.55 CC(=O)CCCOC(C)C 7a_100000759063_100000210206 [1,1,0,0,0,0|2,0,0]=4 3609 B9R0.55 CC(=O)CCCSC(C)C 62a_100000210206_100011215641 [1,1,0,0,0,0|2,0,0]=4 3610 B9R0.55 CC(=O)CCCSC(C)C 62a_100011215641_100000210206 [1,1,0,0,0,0|2,0,0]=4 3611 B9R0.55 CC(=O)CCNCC(=O)O 269956a_100016091260_100000053229 [1,1,0,0,0,0|1,0,1]=4 3612 B9R0.55 CC(=O)CCOCC(C)C 34a_100000759926_100000210624 [1,1,0,0,0,0|2,0,0]=4 3613 B9R0.55 CC(=O)CCOCC(C)C 7a_100000759926_100000210760 [1,1,0,0,0,0|2,0,0]=4 3614 B9R0.55 CC(=O)CCOCC(C)O 34a_100000759926_100011218427 [1,1,0,0,0,0|2,0,0]=4 3615 B9R0.55 CC(=O)CCOCC(C)O 7a_100000759926_100011218427 [1,1,0,0,0,0|2,0,0]=4 3616 B9R0.55 CC(=O)CCOC[C@@H](C)O 34a_100000759926_100009817552 [1,1,0,0,0,0|2,0,0]=4 3617 B9R0.55 CC(=O)CCOC[C@@H](C)O 7a_100000759926_100009817552 [1,1,0,0,0,0|2,0,0]=4 3618 B9R0.55 CC(=O)CCSCC(C)C 62a_100000053229_100000210760 [1,1,0,0,0,0|2,0,0]=4 3619 B9R0.55 CC(=O)CCSCC(C)C 62a_100000210624_100000053229 [1,1,0,0,0,0|2,0,0]=4 3620 B9R0.55 CC(=O)CCSCC(C)O 62a_100000053229_100011218427 [1,1,0,0,0,0|2,0,0]=4 3621 B9R0.55 CC(=O)CCSCC(C)O 62a_100011218427_100000053229 [1,1,0,0,0,0|2,0,0]=4 3622 B9R0.55 CC(=O)CCSC[C@@H](C)O 62a_100000053229_100009817552 [1,1,0,0,0,0|2,0,0]=4 3623 B9R0.55 CC(=O)CCSC[C@@H](C)O 62a_100009817552_100000053229 [1,1,0,0,0,0|2,0,0]=4 3624 B9R0.55 CC(=O)COCCC(C)C 34a_100000211253_100000210312 [1,1,0,0,0,0|2,0,0]=4 3625 B9R0.55 CC(=O)COCCC(C)O 34a_100000211253_100012276601 [1,1,0,0,0,0|2,0,0]=4 3626 B9R0.55 CC(=O)NCCCC(C)C 11a_200000737386_100015343762 [1,1,0,0,0,0|2,0,0]=4 3627 B9R0.55 CC(=O)NCCCC(C)C 1626a_200000737386_100015343762 [1,1,0,0,0,0|2,0,0]=4 3628 B9R0.55 CC(=O)NCCCC(C)C 240690a_200000737386_100015343762 [1,1,0,0,0,0|2,0,0]=4 3629 B9R0.55 CC(=O)NCCCC(C)C 527a_200000737386_100103153847 [1,1,0,0,0,0|2,0,0]=4 3630 B9R0.55 CC(Br)CCOCC(=O)N 34a_100009893172_100000187820 [1,1,0,0,0,0|2,0,0]=4 3631 B9R0.55 CC(Br)CCOCC(=O)[O-] 34a_100009893172_100020667443 [1,1,0,0,0,0|1,0,1]=4 3632 B9R0.55 CC(Br)COCCC(=O)N 34a_100012180447_100000731001 [1,1,0,0,0,0|2,0,0]=4 3633 B9R0.55 CC(C)CCCCC(=O)[13CH3] 1458a_100011933920_200025704644 [1,1,0,0,0,0|1,0,0]=3 3634 B9R0.55 CC(C)CCNCC(=O)N 2230a_100000711301_100000210312 [1,1,0,0,0,0|2,0,0]=4 3635 B9R0.55 CC(C)CCNCC(=O)O 269956a_100016091260_100000210312 [1,1,0,0,0,0|1,0,0]=3 3636 B9R0.55 CC(C)CCOCC(=O)N 34a_100000210254_100000187820 [1,1,0,0,0,0|2,0,0]=4 3637 B9R0.55 CC(C)CCOCC(=O)N 7a_100000210254_100000187820 [1,1,0,0,0,0|2,0,0]=4 3638 B9R0.55 CC(C)CCOCC(=O)[O-] 34a_100000210254_100020667443 [1,1,0,0,0,0|1,0,1]=4 3639 B9R0.55 CC(C)CCSCC(=O)N 62a_100000210312_100000747473 [1,1,0,0,0,0|2,0,0]=4 3640 B9R0.55 CC(C)CCSCC(=O)N 62a_100000747473_100000210312 [1,1,0,0,0,0|2,0,0]=4 3641 B9R0.55 CC(C)CCSCC(=O)[O-] 62a_100000210312_100020667443 [1,1,0,0,0,0|1,0,1]=4 3642 B9R0.55 CC(C)CCSCC(=O)[O-] 62a_100020667443_100000210312 [1,1,0,0,0,0|1,0,1]=4 3643 B9R0.55 CC(C)CNCCC(=O)N 2230a_100000210953_100000744528 [1,1,0,0,0,0|2,0,0]=4 3644 B9R0.55 CC(C)CNCCC(=O)N 34a_100000210953_100000731001 [1,1,0,0,0,0|2,0,0]=4 3645 B9R0.55 CC(C)CNOCC(=O)O 269956a_100000106656_100000210760 [1,1,0,0,0,0|2,0,0]=4 3646 B9R0.55 CC(C)COCCC(=O)N 34a_100000210257_100000731001 [1,1,0,0,0,0|2,0,0]=4 3647 B9R0.55 CC(C)COCCC(=O)N 34a_100000757172_100000210624 [1,1,0,0,0,0|2,0,0]=4 3648 B9R0.55 CC(C)COCCC(=O)N 7a_100000757172_100000210760 [1,1,0,0,0,0|2,0,0]=4 3649 B9R0.55 CC(C)CSCCC(=O)N 62a_100000210624_100000744528 [1,1,0,0,0,0|2,0,0]=4 3650 B9R0.55 CC(C)CSCCC(=O)N 62a_100000744528_100000210760 [1,1,0,0,0,0|2,0,0]=4 3651 B9R0.55 CC(C)NCCCC(=O)N 34a_100000739312_100000210206 [1,1,0,0,0,0|2,0,0]=4 3652 B9R0.55 CC(C)NCCCC(=O)N 34a_100138425928_100102525003 [1,1,0,0,0,0|2,0,0]=4 3653 B9R0.55 CC(C)OCCCC(=O)N 34a_100000212225_100102525003 [1,1,0,0,0,0|2,0,0]=4 3654 B9R0.55 CC(C)OCNCC(=O)O 269956a_100016091260_100000709892 [1,1,0,0,0,0|2,0,0]=4 3655 B9R0.55 CC(C)SCCCC(=O)N 62a_100000210206_100102525003 [1,1,0,0,0,0|2,0,0]=4 3656 B9R0.55 CC(C)SCCCC(=O)N 62a_100102525003_100000210206 [1,1,0,0,0,0|2,0,0]=4 3657 B9R0.55 CC(F)COCCC(=O)N 34a_100015925927_100000731001 [1,1,0,0,0,0|2,0,0]=4 3658 B9R0.55 CC(O)CCNCC(=O)N 2230a_100000711301_100012276601 [1,1,0,0,0,0|2,0,0]=4 3659 B9R0.55 CC(O)CCNCC(=O)N 2230a_200000755665_100000747473 [1,1,0,0,0,0|2,0,0]=4 3660 B9R0.55 CC(O)CCNCC(=O)O 269956a_100016091260_100012276601 [1,1,0,0,0,0|1,0,0]=3 3661 B9R0.55 CC(O)CCSCC(=O)N 62a_100000747473_100012276601 [1,1,0,0,0,0|2,0,0]=4 3662 B9R0.55 CC(O)CCSCC(=O)N 62a_100012276601_100000747473 [1,1,0,0,0,0|2,0,0]=4 3663 B9R0.55 CC(O)CCSCC(=O)[O-] 62a_100012276601_100020667443 [1,1,0,0,0,0|1,0,1]=4 3664 B9R0.55 CC(O)CCSCC(=O)[O-] 62a_100020667443_100012276601 [1,1,0,0,0,0|1,0,1]=4 3665 B9R0.55 CC(O)CNCCC(=O)N 2230a_100000210904_100000744528 [1,1,0,0,0,0|2,0,0]=4 3666 B9R0.55 CC(O)CNCCC(=O)N 34a_100000210904_100000731001 [1,1,0,0,0,0|2,0,0]=4 3667 B9R0.55 CC(O)CNOCC(=O)O 269956a_100000106656_100011218427 [1,1,0,0,0,0|2,0,0]=4 3668 B9R0.55 CC(O)COCCC(=O)N 34a_100000757172_100011218427 [1,1,0,0,0,0|2,0,0]=4 3669 B9R0.55 CC(O)COCCC(=O)N 7a_100000757172_100011218427 [1,1,0,0,0,0|2,0,0]=4 3670 B9R0.55 CC(O)CSCCC(=O)N 62a_100000744528_100011218427 [1,1,0,0,0,0|2,0,0]=4 3671 B9R0.55 CC(O)CSCCC(=O)N 62a_100011218427_100000744528 [1,1,0,0,0,0|2,0,0]=4 3672 B9R0.55 CN(C)CCNCC(=O)O 269956a_100016091260_100000755713 [1,1,0,0,0,0|2,0,0]=4 3673 B9R0.55 C[C@@H](Cl)COCCC(=O)N 34a_100016084084_100000731001 [1,1,0,0,0,0|2,0,0]=4 3674 B9R0.55 C[C@@H](N)CCOCC(=O)N 34a_100000706166_100000187820 [1,1,0,0,0,0|2,0,0]=4 3675 B9R0.55 C[C@@H](N)CCOCC(=O)[O-] 34a_100000706166_100020667443 [1,1,0,0,0,0|1,0,1]=4 3676 B9R0.55 C[C@@H](N)COCCC(=O)N 34a_100000737577_100000731001 [1,1,0,0,0,0|2,0,0]=4 3677 B9R0.55 C[C@@H](O)CNOCC(=O)O 269956a_100000106656_100009817552 [1,1,0,0,0,0|2,0,0]=4 3678 B9R0.55 C[C@@H](O)COCCC(=O)N 34a_100000757172_100009817552 [1,1,0,0,0,0|2,0,0]=4 3679 B9R0.55 C[C@@H](O)COCCC(=O)N 7a_100000757172_100009817552 [1,1,0,0,0,0|2,0,0]=4 3680 B9R0.55 C[C@@H](O)CSCCC(=O)N 62a_100000744528_100009817552 [1,1,0,0,0,0|2,0,0]=4 3681 B9R0.55 C[C@@H](O)CSCCC(=O)N 62a_100009817552_100000744528 [1,1,0,0,0,0|2,0,0]=4 3682 B9R0.6 CC(C(=O)O)N(C)CCF 269956a_100000749554_100011217306 [1,1,0,0,0,0|2,0,0]=4 3683 B9R0.6 CC(C(=O)O)N(C)CCO 269956a_100000749554_100000211926 [1,1,0,0,0,0|2,0,0]=4 3684 B9R0.6 CC(C(=O)O)N(C)CCO 269956a_100011300695_200000210301 [1,1,0,0,0,0|2,0,0]=4 3685 B9R0.6 CC(C(=O)O)N([13CH3])CCO 269956a_100011300695_200025704644 [1,1,0,0,0,0|2,0,0]=4 3686 B9R0.6 CCCC(=O)C(C)C(=O)C 1458a_100000211992_100000179758 [1,1,0,0,0,0|1,0,1]=4 3687 B9R0.6 CCCC(=O)C(C)C(=O)N 1458a_100000211992_100000702099 [1,1,0,0,0,0|1,0,1]=4 3688 B9R0.6 CCCN(C)C(C)C(=O)C 2230a_100000747261_100009814033 [1,1,0,0,0,0|2,0,0]=4 3689 B9R0.6 CCCN(C)C(C)C(=O)C 269982a_100000747261_100009814033 [1,1,0,0,0,0|2,0,0]=4 3690 B9R0.6 CCCN(C)C(C)C(=O)N 2230a_100000747261_100000702099 [1,1,0,0,0,0|2,0,0]=4 3691 B9R0.6 CCCN(C)C(C)C(=O)N 269982a_100000747261_100000184083 [1,1,0,0,0,0|2,0,0]=4 3692 B9R0.6 CCCN(C)C(C)C(=O)O 269956a_100000749554_100000210207 [1,1,0,0,0,0|1,0,0]=3 3693 B9R0.6 COCN(C)C(C)C(=O)O 269956a_100000749554_100000766300 [1,1,0,0,0,0|2,0,0]=4 3694 B9R0.6 CSCN(C)C(C)C(=O)O 269956a_100000749554_100011218213 [1,1,0,0,0,0|2,0,0]=4 3695 B9R0.7 C=C(C)CN[C@@H](C)C(=O)O 269956a_100000743915_100000748629 [1,1,0,0,0,0|1,0,1]=4 3696 B9R0.7 CC(=O)C(C)CCC(C)C 1458a_100000070787_100011261404 [1,1,0,0,0,0|1,0,0]=3 3697 B9R0.7 CC(=O)C(C)COC(C)C 34a_100000032740_100000210206 [1,1,0,0,0,0|2,0,0]=4 3698 B9R0.7 CC(=O)C(C)COC(C)C 7a_100000032740_100000210206 [1,1,0,0,0,0|2,0,0]=4 3699 B9R0.7 CC(=O)C(C)NCC(C)C 2230a_100000210953_100009814033 [1,1,0,0,0,0|2,0,0]=4 3700 B9R0.7 CC(=O)C(C)NCC(C)O 2230a_100000210904_100009814033 [1,1,0,0,0,0|2,0,0]=4 3701 B9R0.7 CC(=O)C(C)OCC(C)C 34a_100000212229_100000210624 [1,1,0,0,0,0|2,0,0]=4 3702 B9R0.7 CC(=O)C(C)OCC(C)O 34a_100000212229_100011218427 [1,1,0,0,0,0|2,0,0]=4 3703 B9R0.7 CC(=O)C(C)OC[C@@H](C)O 34a_100000212229_100009817552 [1,1,0,0,0,0|2,0,0]=4 3704 B9R0.7 CC(=O)C(C)SCC(C)C 62a_100000210624_100009814033 [1,1,0,0,0,0|2,0,0]=4 3705 B9R0.7 CC(=O)C(C)SCC(C)C 62a_100009814033_100000210760 [1,1,0,0,0,0|2,0,0]=4 3706 B9R0.7 CC(=O)C(C)SCC(C)O 62a_100009814033_100011218427 [1,1,0,0,0,0|2,0,0]=4 3707 B9R0.7 CC(=O)C(C)SCC(C)O 62a_100011218427_100009814033 [1,1,0,0,0,0|2,0,0]=4 3708 B9R0.7 CC(=O)C(C)SC[C@@H](C)O 62a_100009814033_100009817552 [1,1,0,0,0,0|2,0,0]=4 3709 B9R0.7 CC(=O)C(C)SC[C@@H](C)O 62a_100009817552_100009814033 [1,1,0,0,0,0|2,0,0]=4 3710 B9R0.7 CC(=O)N(C)CCC(C)C 11a_100000742789_100015343762 [1,1,0,0,0,0|2,0,0]=4 3711 B9R0.7 CC(=O)N(C)CCC(C)C 1626a_100000742789_100015343762 [1,1,0,0,0,0|2,0,0]=4 3712 B9R0.7 CC(=O)N(C)CCC(C)C 240690a_100000742789_100015343762 [1,1,0,0,0,0|2,0,0]=4 3713 B9R0.7 CC(=O)N(C)CCC(C)C 527a_100000742789_100103153847 [1,1,0,0,0,0|2,0,0]=4 3714 B9R0.7 CC(Br)COC(C)C(=O)N 34a_100012180447_100000702099 [1,1,0,0,0,0|2,0,0]=4 3715 B9R0.7 CC(C)CNC(C)C(=O)N 2230a_100000210953_100000702099 [1,1,0,0,0,0|2,0,0]=4 3716 B9R0.7 CC(C)CNC(C)C(=O)N 34a_100000210953_100000702099 [1,1,0,0,0,0|2,0,0]=4 3717 B9R0.7 CC(C)CN[C@@H](C)C(=O)O 269956a_100000743915_100000210760 [1,1,0,0,0,0|1,0,0]=3 3718 B9R0.7 CC(C)CN[C@H](C)C(=O)N 2230a_100000119354_100000210760 [1,1,0,0,0,0|2,0,0]=4 3719 B9R0.7 CC(C)CN[C@H](C)C(=O)N 270004a_100000119354_100000210432 [1,1,0,0,0,0|2,0,0]=4 3720 B9R0.7 CC(C)CN[C@H](C)C(=O)N 34a_100000119354_100000210624 [1,1,0,0,0,0|2,0,0]=4 3721 B9R0.7 CC(C)COC(C)C(=O)N 34a_100000210257_100000702099 [1,1,0,0,0,0|2,0,0]=4 3722 B9R0.7 CC(C)CO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210760 [1,1,0,0,0,0|1,0,1]=4 3723 B9R0.7 CC(C)CO[C@H](C)C(=O)N 34a_100000731257_100000210624 [1,1,0,0,0,0|2,0,0]=4 3724 B9R0.7 CC(C)CO[C@H](C)C(=O)N 7a_100000731257_100000210760 [1,1,0,0,0,0|2,0,0]=4 3725 B9R0.7 CC(C)CSC(C)C(=O)N 62a_100000210624_100000702099 [1,1,0,0,0,0|2,0,0]=4 3726 B9R0.7 CC(C)CSC(C)C(=O)N 62a_100000702099_100000210760 [1,1,0,0,0,0|2,0,0]=4 3727 B9R0.7 CC(C)NCC(C)C(=O)O 269956a_100000749485_100000210206 [1,1,0,0,0,0|1,0,0]=3 3728 B9R0.7 CC(C)NCC(F)C(=O)O 269956a_100000084737_100000210206 [1,1,0,0,0,0|2,0,0]=4 3729 B9R0.7 CC(F)COC(C)C(=O)N 34a_100015925927_100000702099 [1,1,0,0,0,0|2,0,0]=4 3730 B9R0.7 CC(O)CNC(C)C(=O)N 2230a_100000210904_100000702099 [1,1,0,0,0,0|2,0,0]=4 3731 B9R0.7 CC(O)CNC(C)C(=O)N 34a_100000210904_100000702099 [1,1,0,0,0,0|2,0,0]=4 3732 B9R0.7 CC(O)CN[C@@H](C)C(=O)O 269956a_100000743915_100011218427 [1,1,0,0,0,0|1,0,0]=3 3733 B9R0.7 CC(O)CN[C@H](C)C(=O)N 2230a_100000119354_100011218427 [1,1,0,0,0,0|2,0,0]=4 3734 B9R0.7 CC(O)CN[C@H](C)C(=O)N 34a_100000119354_100011218427 [1,1,0,0,0,0|2,0,0]=4 3735 B9R0.7 CC(O)CO[C@@H](C)C(=O)[O-] 7a_217856618621_100011218427 [1,1,0,0,0,0|1,0,1]=4 3736 B9R0.7 CC(O)CO[C@H](C)C(=O)N 34a_100000731257_100011218427 [1,1,0,0,0,0|2,0,0]=4 3737 B9R0.7 CC(O)CO[C@H](C)C(=O)N 7a_100000731257_100011218427 [1,1,0,0,0,0|2,0,0]=4 3738 B9R0.7 CC(O)CSC(C)C(=O)N 62a_100000702099_100011218427 [1,1,0,0,0,0|2,0,0]=4 3739 B9R0.7 CC(O)CSC(C)C(=O)N 62a_100011218427_100000702099 [1,1,0,0,0,0|2,0,0]=4 3740 B9R0.7 CC(OC[C@@H](C)Cl)C(=O)N 34a_100016084084_100000702099 [1,1,0,0,0,0|2,0,0]=4 3741 B9R0.7 CC(OC[C@@H](C)N)C(=O)N 34a_100000737577_100000702099 [1,1,0,0,0,0|2,0,0]=4 3742 B9R0.7 CC(SC[C@@H](C)O)C(=O)N 62a_100000702099_100009817552 [1,1,0,0,0,0|2,0,0]=4 3743 B9R0.7 CC(SC[C@@H](C)O)C(=O)N 62a_100009817552_100000702099 [1,1,0,0,0,0|2,0,0]=4 3744 B9R0.7 C[C@@H](O)CN[C@H](C)C(=O)N 2230a_100000119354_100009817552 [1,1,0,0,0,0|2,0,0]=4 3745 B9R0.7 C[C@@H](O)CN[C@H](C)C(=O)N 34a_100000119354_100009817552 [1,1,0,0,0,0|2,0,0]=4 3746 B9R0.7 C[C@@H](O)CO[C@H](C)C(=O)N 34a_100000731257_100009817552 [1,1,0,0,0,0|2,0,0]=4 3747 B9R0.7 C[C@@H](O)CO[C@H](C)C(=O)N 7a_100000731257_100009817552 [1,1,0,0,0,0|2,0,0]=4 3748 B9R0.7 C[C@H](NCC(F)F)C(=O)O 269956a_100000743915_100011934356 [1,1,0,0,0,0|2,0,0]=4 3749 B9R0.7 C[C@H](NC[C@@H](C)O)C(=O)O 269956a_100000743915_100009817552 [1,1,0,0,0,0|1,0,0]=3 3750 B9R0.7 C[C@H](OC[C@@H](C)O)C(=O)[O-] 7a_217856618621_100009817552 [1,1,0,0,0,0|1,0,1]=4 3751 B9R0.13 C=C[C@H](NCCC)C(=O)O 269956a_100016992060_100000210207 [1,1,0,0,0,0|1,0,1]=4 3752 B9R0.13 CCCCC(CC)C(=O)C 1458a_100000070787_200011216223 [1,1,0,0,0,0|1,0,0]=3 3753 B9R0.13 CCCCC(CC)C(=O)C 1458a_100000211130_200000210301 [1,1,0,0,0,0|1,0,0]=3 3754 B9R0.13 CCCCC(CC)C(=O)[13CH3] 1458a_100000211130_200025704644 [1,1,0,0,0,0|1,0,0]=3 3755 B9R0.13 CCCCC(NC)C(=O)N 2230a_106832991635_100000748834 [1,1,0,0,0,0|1,0,0]=3 3756 B9R0.13 CCCCC(NC)C(=O)N 34a_100102657272_100000748834 [1,1,0,0,0,0|1,0,0]=3 3757 B9R0.13 CCCCC(NC)C(=O)N 7a_106832991635_100000748834 [1,1,0,0,0,0|1,0,0]=3 3758 B9R0.13 CCCCC(OC)C(=O)N 34a_100138415774_100000748834 [1,1,0,0,0,0|1,0,0]=3 3759 B9R0.13 CCCCC(SC)C(=O)N 62a_100000748834_200000210301 [1,1,0,0,0,0|1,0,0]=3 3760 B9R0.13 CCCCC(SC)C(=O)N 62a_200000210301_100000748834 [1,1,0,0,0,0|1,0,0]=3 3761 B9R0.13 CCCCC(S[13CH3])C(=O)N 62a_100000748834_200025704644 [1,1,0,0,0,0|1,0,0]=3 3762 B9R0.13 CCCCC(S[13CH3])C(=O)N 62a_200025704644_100000748834 [1,1,0,0,0,0|1,0,0]=3 3763 B9R0.13 CCCCN(CC)C(=O)C 11a_100000207695_100015343762 [1,1,0,0,0,0|2,0,0]=4 3764 B9R0.13 CCCCN(CC)C(=O)C 1626a_100000207695_100015343762 [1,1,0,0,0,0|2,0,0]=4 3765 B9R0.13 CCCCN(CC)C(=O)C 240690a_100000207695_100015343762 [1,1,0,0,0,0|2,0,0]=4 3766 B9R0.13 CCCCN(CC)C(=O)C 527a_100000207695_100103153847 [1,1,0,0,0,0|2,0,0]=4 3767 B9R0.13 CCCC[C@H](NC)C(=O)N 2230a_100000124899_200000210301 [1,1,0,0,0,0|1,0,0]=3 3768 B9R0.13 CCCC[C@H](NC)C(=O)N 34a_100000124899_200000210301 [1,1,0,0,0,0|1,0,0]=3 3769 B9R0.13 CCCC[C@H](N[13CH3])C(=O)N 2230a_100000124899_200025704644 [1,1,0,0,0,0|1,0,0]=3 3770 B9R0.13 CCCC[C@H](N[13CH3])C(=O)N 34a_100000124899_200025704644 [1,1,0,0,0,0|1,0,0]=3 3771 B9R0.13 CCCNC(CC)C(=O)N 2230a_100000733705_100000210303 [1,1,0,0,0,0|2,0,0]=4 3772 B9R0.13 CCCNC(CC)C(=O)N 34a_100000733705_100000210303 [1,1,0,0,0,0|2,0,0]=4 3773 B9R0.13 CCCNC(CO)C(=O)O 269956a_100000187304_100000210207 [1,1,0,0,0,0|1,0,0]=3 3774 B9R0.13 CCCN[C@@H](CO)C(=O)N 2230a_100000729942_100000210303 [1,1,0,0,0,0|2,0,0]=4 3775 B9R0.13 CCCN[C@@H](CO)C(=O)N 34a_100000729942_100000210303 [1,1,0,0,0,0|2,0,0]=4 3776 B9R0.13 CCCN[C@H](CC)C(=O)O 269956a_100000747097_100000210207 [1,1,0,0,0,0|1,0,0]=3 3777 B9R0.13 CCCOC(CC)C(=O)N 34a_100000210258_100000750255 [1,1,0,0,0,0|2,0,0]=4 3778 B9R0.13 CCCSC(CC)C(=O)N 62a_100000210303_100000750255 [1,1,0,0,0,0|2,0,0]=4 3779 B9R0.13 CCCSC(CC)C(=O)N 62a_100000750255_100000210303 [1,1,0,0,0,0|2,0,0]=4 3780 B9R0.13 CC[C@@H](NCCF)C(=O)O 269956a_100000747097_100011217306 [1,1,0,0,0,0|2,0,0]=4 3781 B9R0.13 CC[C@@H](NCCO)C(=O)O 269956a_100000747097_100000211926 [1,1,0,0,0,0|2,0,0]=4 3782 B9R0.13 CC[C@@H](NCOC)C(=O)O 269956a_100000747097_100000766300 [1,1,0,0,0,0|2,0,0]=4 3783 B9R0.13 CC[C@@H](NCSC)C(=O)O 269956a_100000747097_100011218213 [1,1,0,0,0,0|2,0,0]=4 3784 B9R0.13 CN[C@@H](CCSC)C(=O)N 2230a_100000119342_200000210301 [1,1,0,0,0,0|2,0,0]=4 3785 B9R0.13 CN[C@@H](CCSC)C(=O)N 34a_100000119342_200000210301 [1,1,0,0,0,0|2,0,0]=4 3786 B9R0.13 CN[C@@H](CCSC)C(=O)O 269956a_100000743919_200000210301 [1,1,0,0,0,0|1,0,0]=3 3787 B9R0.13 CN[C@@H](CC[Se]C)C(=O)O 269956a_100020619752_200000210301 [1,1,0,0,0,0|1,0,0]=3 3788 B9R0.13 COCNC(CO)C(=O)O 269956a_100000187304_100000766300 [1,1,0,0,0,0|2,0,0]=4 3789 B9R0.13 CSCC[C@H](N[13CH3])C(=O)N 2230a_100000119342_200025704644 [1,1,0,0,0,0|2,0,0]=4 3790 B9R0.13 CSCC[C@H](N[13CH3])C(=O)N 34a_100000119342_200025704644 [1,1,0,0,0,0|2,0,0]=4 3791 B9R0.13 CSCC[C@H](N[13CH3])C(=O)O 269956a_100000743919_200025704644 [1,1,0,0,0,0|1,0,0]=3 3792 B9R0.13 CSCNC(CO)C(=O)O 269956a_100000187304_100011218213 [1,1,0,0,0,0|2,0,0]=4 3793 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 3794 B9R0.13 O=C(O)C(CO)NCCF 269956a_100000187304_100011217306 [1,1,0,0,0,0|2,0,0]=4 3795 B9R0.13 O=C(O)C(CO)NCCO 269956a_100000187304_100000211926 [1,1,0,0,0,0|2,0,0]=4 3796 B9R0.42 CCC(C)CN(C)C(=O)C 11a_100000753921_100015343762 [1,1,0,0,0,0|2,0,0]=4 3797 B9R0.42 CCC(C)CN(C)C(=O)C 1626a_100000753921_100015343762 [1,1,0,0,0,0|2,0,0]=4 3798 B9R0.42 CCC(C)CN(C)C(=O)C 240690a_100000753921_100015343762 [1,1,0,0,0,0|2,0,0]=4 3799 B9R0.42 CCC(C)CN(C)C(=O)C 527a_100000753921_100103153847 [1,1,0,0,0,0|2,0,0]=4 3800 B9R0.42 CCC(C)NC(C)C(=O)C 2230a_100000209981_100009814033 [1,1,0,0,0,0|2,0,0]=4 3801 B9R0.42 CCC(C)NC(C)C(=O)N 2230a_100000209981_100000702099 [1,1,0,0,0,0|2,0,0]=4 3802 B9R0.42 CCC(C)N[C@@H](C)C(=O)O 269956a_100000743915_100000758301 [1,1,0,0,0,0|1,0,0]=3 3803 B9R0.42 CCC(C)N[C@H](C)C(=O)N 2230a_100000119354_100000758301 [1,1,0,0,0,0|2,0,0]=4 3804 B9R0.42 CCC(C)N[C@H](C)C(=O)N 34a_100000119354_100011215416 [1,1,0,0,0,0|2,0,0]=4 3805 B9R0.42 CCC(C)OC(C)C(=O)C 34a_100000212229_100011215416 [1,1,0,0,0,0|2,0,0]=4 3806 B9R0.42 CCC(C)OC(C)C(=O)C 7a_100000210228_100000179758 [1,1,0,0,0,0|2,0,0]=4 3807 B9R0.42 CCC(C)OC(C)C(=O)N 7a_100000210228_100000702099 [1,1,0,0,0,0|2,0,0]=4 3808 B9R0.42 CCC(C)O[C@@H](C)C(=O)[O-] 7a_217856618621_100000758301 [1,1,0,0,0,0|1,0,1]=4 3809 B9R0.42 CCC(C)O[C@H](C)C(=O)N 34a_100000731257_100011215416 [1,1,0,0,0,0|2,0,0]=4 3810 B9R0.42 CCC(C)O[C@H](C)C(=O)N 7a_100000731257_100000758301 [1,1,0,0,0,0|2,0,0]=4 3811 B9R0.42 CCC(C)SC(C)C(=O)C 62a_100000758301_100009814033 [1,1,0,0,0,0|2,0,0]=4 3812 B9R0.42 CCC(C)SC(C)C(=O)C 62a_100009814033_100000758301 [1,1,0,0,0,0|2,0,0]=4 3813 B9R0.42 CCC(C)SC(C)C(=O)N 62a_100000702099_100000758301 [1,1,0,0,0,0|2,0,0]=4 3814 B9R0.42 CCC(C)SC(C)C(=O)N 62a_100000758301_100000702099 [1,1,0,0,0,0|2,0,0]=4 3815 B9R0.42 CCN(C)CC(C)C(=O)C 1458a_200015185930_200000210301 [1,1,0,0,0,0|2,0,0]=4 3816 B9R0.42 CCN(C)CC(C)C(=O)[13CH3] 1458a_200015185930_200025704644 [1,1,0,0,0,0|2,0,0]=4 3817 B9R0.42 COC(C)N[C@@H](C)C(=O)O 269956a_100000743915_100009879195 [1,1,0,0,0,0|2,0,0]=4 3818 B9R0.42 C[C@H](CO)N[C@@H](C)C(=O)O 269956a_100000743915_100016084084 [1,1,0,0,0,0|2,0,0]=4 3819 B9R0.51 CC(C)(CNCF)C(=O)O 269956a_100000693527_100015361967 [1,1,0,0,0,0|2,0,0]=4 3820 B9R0.51 CCCCC(C)(C)C(=O)C 1458a_100011216040_200000210301 [1,1,0,0,0,0|1,0,0]=3 3821 B9R0.51 CCCCC(C)(C)C(=O)[13CH3] 1458a_100011216040_200025704644 [1,1,0,0,0,0|1,0,0]=3 3822 B9R0.51 CCCCC(C)(O)C(=O)C 1458a_100000137666_200000210301 [1,1,0,0,0,0|1,0,0]=3 3823 B9R0.51 CCCCC(C)(O)C(=O)[13CH3] 1458a_100000137666_200025704644 [1,1,0,0,0,0|1,0,0]=3 3824 B9R0.51 CCCCC(F)(F)C(=O)C 1458a_100000100317_200000210301 [1,1,0,0,0,0|2,0,0]=4 3825 B9R0.51 CCCCC(F)(F)C(=O)[13CH3] 1458a_100000100317_200025704644 [1,1,0,0,0,0|2,0,0]=4 3826 B9R0.51 CCCNC(C)(C)C(=O)N 2230a_100000743658_100000210303 [1,1,0,0,0,0|2,0,0]=4 3827 B9R0.51 CCCNC(C)(C)C(=O)N 34a_100000743658_100000210303 [1,1,0,0,0,0|2,0,0]=4 3828 B9R0.51 CCCOC(C)(C)C(=O)C 34a_100000747739_100000210303 [1,1,0,0,0,0|2,0,0]=4 3829 B9R0.51 CCCOC(C)(C)C(=O)C 7a_100000747739_100000210303 [1,1,0,0,0,0|2,0,0]=4 3830 B9R0.51 CCCOC(C)(C)C(=O)N 34a_100000210258_100000702505 [1,1,0,0,0,0|2,0,0]=4 3831 B9R0.51 CCCOC(C)(C)C(=O)N 34a_100011626353_100000210303 [1,1,0,0,0,0|2,0,0]=4 3832 B9R0.51 CCCOC(C)(C)C(=O)N 7a_100011626353_100000210303 [1,1,0,0,0,0|2,0,0]=4 3833 B9R0.51 CCCSC(C)(C)C(=O)C 62a_100000075568_100000210303 [1,1,0,0,0,0|2,0,0]=4 3834 B9R0.51 CCCSC(C)(C)C(=O)C 62a_100000210303_100000075568 [1,1,0,0,0,0|2,0,0]=4 3835 B9R0.51 CCCSC(C)(C)C(=O)N 62a_100000210303_100000702505 [1,1,0,0,0,0|2,0,0]=4 3836 B9R0.51 CCCSC(C)(C)C(=O)N 62a_100000702505_100000210303 [1,1,0,0,0,0|2,0,0]=4 3837 B9R0.51 CCNCC(C)(C)C(=O)N 2230a_100000740840_100000210202 [1,1,0,0,0,0|2,0,0]=4 3838 B9R0.51 CCNCC(C)(C)C(=O)N 34a_100000740840_100000210202 [1,1,0,0,0,0|2,0,0]=4 3839 B9R0.51 CCNCC(C)(C)C(=O)O 269956a_100000693527_100000210202 [1,1,0,0,0,0|1,0,0]=3 3840 B9R0.51 CCNCC(F)(F)C(=O)O 269956a_100000734215_100000210202 [1,1,0,0,0,0|2,0,0]=4 3841 B9R0.51 CCNOC(C)(C)C(=O)O 269956a_100016989451_100000210202 [1,1,0,0,0,0|2,0,0]=4 3842 B9R0.51 CCOCC(C)(C)C(=O)N 34a_100121572206_200009895572 [1,1,0,0,0,0|2,0,0]=4 3843 B9R0.51 CCSCC(C)(C)C(=O)N 62a_100000210202_200009895572 [1,1,0,0,0,0|2,0,0]=4 3844 B9R0.51 CCSCC(C)(C)C(=O)N 62a_200009895572_100000210202 [1,1,0,0,0,0|2,0,0]=4 3845 B11R0.1 CCCC(=O)CN(C)CC(=O)O 269956a_100000746989_100000747444 [0,1,0,0,0,1|1,0,1]=4 3846 B11R0.1 CCCC(C)CN(C)CC(=O)N 2230a_100000739694_100011216630 [0,1,0,0,0,1|2,0,0]=4 3847 B11R0.1 CCCC(C)CN(C)CC(=O)N 270004a_100000739694_100000243154 [0,1,0,0,0,1|2,0,0]=4 3848 B11R0.1 CCCC(C)CN(C)CC(=O)O 269956a_100000746989_100011216630 [0,1,0,0,0,1|1,0,0]=3 3849 B11R0.1 CCCC(C)SC(C)OC(=O)C 62a_100000766640_100009818208 [0,1,0,0,0,1|2,0,0]=4 3850 B11R0.1 CCCC(C)SC(C)OC(=O)C 62a_100009818208_100000766640 [0,1,0,0,0,1|2,0,0]=4 3851 B11R0.1 COCC(O)CN(C)CC(=O)O 269956a_100000746989_100011215053 [0,1,0,0,0,1|2,0,0]=4 3852 B11R0.2 C#CCCCCN(C)CC(=O)O 269956a_100000746989_100010269958 [0,1,0,0,0,1|1,0,1]=4 3853 B11R0.2 C=CCCCCN(C)CC(=O)O 269956a_100000746989_100011215482 [0,1,0,0,0,1|1,0,1]=4 3854 B11R0.2 CC(=O)OC(C)SCCCCF 62a_100000729493_100009818208 [0,1,0,0,0,1|2,0,0]=4 3855 B11R0.2 CC(=O)OC(C)SCCCCF 62a_100009818208_100000729493 [0,1,0,0,0,1|2,0,0]=4 3856 B11R0.2 CC(=O)OC(C)SCCCCO 62a_100000210776_100009818208 [0,1,0,0,0,1|2,0,0]=4 3857 B11R0.2 CC(=O)OC(C)SCCCCO 62a_100009818208_100000210776 [0,1,0,0,0,1|2,0,0]=4 3858 B11R0.2 CC/C=C\CCN(C)CC(=O)O 269956a_100000746989_100015370543 [0,1,0,0,0,1|1,0,1]=4 3859 B11R0.2 CCCCCCC(C)NC(=O)C 11a_100000210919_100015343762 [0,1,0,0,0,1|1,0,0]=3 3860 B11R0.2 CCCCCCC(C)NC(=O)C 1626a_100000210919_100015343762 [0,1,0,0,0,1|1,0,0]=3 3861 B11R0.2 CCCCCCC(C)NC(=O)C 240690a_100000210919_100015343762 [0,1,0,0,0,1|1,0,0]=3 3862 B11R0.2 CCCCCCC(C)NC(=O)C 527a_100000210919_100103153847 [0,1,0,0,0,1|1,0,0]=3 3863 B11R0.2 CCCCCCN(C)CC(=O)N 2230a_100000739694_100000210314 [0,1,0,0,0,1|2,0,0]=4 3864 B11R0.2 CCCCCCN(C)CC(=O)N 2230a_106256046315_100000747473 [0,1,0,0,0,1|2,0,0]=4 3865 B11R0.2 CCCCCCN(C)CC(=O)N 269982a_106256046315_100000187820 [0,1,0,0,0,1|2,0,0]=4 3866 B11R0.2 CCCCCCN(C)CC(=O)O 269956a_100000746989_100000210757 [0,1,0,0,0,1|1,0,0]=3 3867 B11R0.2 CCCCCCN(C)CC(=O)[O-] 269982a_106256046315_100020667443 [0,1,0,0,0,1|1,0,1]=4 3868 B11R0.2 CCCCCOC(C)C=C(C)C 34a_100000717055_100000718602 [0,1,0,0,0,1|2,0,0]=4 3869 B11R0.2 CCCCCSC(C)OC(=O)C 62a_100000210326_100009818208 [0,1,0,0,0,1|1,0,0]=3 3870 B11R0.2 CCCCCSC(C)OC(=O)C 62a_100009818208_100000210326 [0,1,0,0,0,1|1,0,0]=3 3871 B11R0.2 CCCCNCC(O)CC(=O)O 269956a_100011218706_100000210211 [0,1,0,0,0,1|1,0,0]=3 3872 B11R0.2 CCCCOCN(C)CC(=O)N 2230a_100000739694_100011995733 [0,1,0,0,0,1|2,0,0]=4 3873 B11R0.2 CCCCOCN(C)CC(=O)O 269956a_100000746989_100011995733 [0,1,0,0,0,1|1,0,0]=3 3874 B11R0.2 CCCOCCN(C)CC(=O)N 2230a_100000739694_100011215938 [0,1,0,0,0,1|2,0,0]=4 3875 B11R0.2 CCCOCCN(C)CC(=O)O 269956a_100000746989_100011215938 [0,1,0,0,0,1|1,0,0]=3 3876 B11R0.2 CCOCCCN(C)CC(=O)N 2230a_100000739694_100012232248 [0,1,0,0,0,1|2,0,0]=4 3877 B11R0.2 CCOCCCN(C)CC(=O)O 269956a_100000746989_100012232248 [0,1,0,0,0,1|1,0,0]=3 3878 B11R0.2 CCOCCSC(C)OC(=O)C 62a_100000210147_100009818208 [0,1,0,0,0,1|2,0,0]=4 3879 B11R0.2 CCOCCSC(C)OC(=O)C 62a_100009818208_100011215890 [0,1,0,0,0,1|2,0,0]=4 3880 B11R0.2 CCOCNCC(O)CC(=O)O 269956a_100011218706_100000739092 [0,1,0,0,0,1|2,0,0]=4 3881 B11R0.2 CCSCCSC(C)OC(=O)C 62a_100000757381_100009818208 [0,1,0,0,0,1|2,0,0]=4 3882 B11R0.2 CCSCCSC(C)OC(=O)C 62a_100009818208_100000757381 [0,1,0,0,0,1|2,0,0]=4 3883 B11R0.2 CN(CCCCC#N)CC(=O)O 269956a_100000746989_100011219923 [0,1,0,0,0,1|1,0,1]=4 3884 B11R0.2 CN(CCCCC=O)CC(=O)O 269956a_100000746989_100000139335 [0,1,0,0,0,1|1,0,1]=4 3885 B11R0.2 CN(CCCCCF)CC(=O)N 2230a_100000739694_100000729378 [0,1,0,0,0,1|2,0,0]=4 3886 B11R0.2 CN(CCCCCF)CC(=O)O 269956a_100000746989_100000729378 [0,1,0,0,0,1|1,0,0]=3 3887 B11R0.2 CN(CCCCCO)CC(=O)N 2230a_100000722520_100000747473 [0,1,0,0,0,1|2,0,0]=4 3888 B11R0.2 CN(CCCCCO)CC(=O)N 2230a_100000739694_100000746330 [0,1,0,0,0,1|2,0,0]=4 3889 B11R0.2 CN(CCCCCO)CC(=O)N 269982a_100000722520_100000187820 [0,1,0,0,0,1|2,0,0]=4 3890 B11R0.2 CN(CCCCCO)CC(=O)O 269956a_100000746989_100000746330 [0,1,0,0,0,1|1,0,0]=3 3891 B11R0.2 CN(CCCCCO)CC(=O)[O-] 269982a_100000722520_100020667443 [0,1,0,0,0,1|1,0,1]=4 3892 B11R0.2 CN(CCOCCO)CC(=O)O 269956a_100000746989_100011215305 [0,1,0,0,0,1|2,0,0]=4 3893 B11R0.2 COCCCCN(C)CC(=O)N 2230a_100000739694_100000730899 [0,1,0,0,0,1|2,0,0]=4 3894 B11R0.2 COCCCCN(C)CC(=O)O 269956a_100000746989_100000730899 [0,1,0,0,0,1|1,0,0]=3 3895 B11R0.2 COCCCSC(C)OC(=O)C 62a_100000709357_100009818208 [0,1,0,0,0,1|2,0,0]=4 3896 B11R0.2 COCCCSC(C)OC(=O)C 62a_100009818208_100000709357 [0,1,0,0,0,1|2,0,0]=4 3897 B11R0.2 COCCNCC(O)CC(=O)O 269956a_100011218706_100000233755 [0,1,0,0,0,1|2,0,0]=4 3898 B11R0.2 COCCOCN(C)CC(=O)O 269956a_100000746989_100000231047 [0,1,0,0,0,1|2,0,0]=4 3899 B11R0.2 CSCCNCC(O)CC(=O)O 269956a_100011218706_100000212216 [0,1,0,0,0,1|2,0,0]=4 3900 B11R0.2 O=C(O)CC(O)CNCCCF 269956a_100011218706_100011934791 [0,1,0,0,0,1|2,0,0]=4 3901 B11R0.2 O=C(O)CC(O)CNCCCO 269956a_100011218706_100011215043 [0,1,0,0,0,1|2,0,0]=4 3902 B11R0.6 CC(=O)CCCN(C)CC(=O)O 269956a_100000746989_100011215641 [0,1,0,0,0,1|1,0,1]=4 3903 B11R0.6 CC(=O)NC(C)CCCC(C)C 11a_100000210607_100015343762 [0,1,0,0,0,1|1,0,0]=3 3904 B11R0.6 CC(=O)NC(C)CCCC(C)C 1626a_100000210607_100015343762 [0,1,0,0,0,1|1,0,0]=3 3905 B11R0.6 CC(=O)NC(C)CCCC(C)C 240690a_100000210607_100015343762 [0,1,0,0,0,1|1,0,0]=3 3906 B11R0.6 CC(=O)NC(C)CCCC(C)C 527a_100000210607_100103153847 [0,1,0,0,0,1|1,0,0]=3 3907 B11R0.6 CC(=O)OC(C)SCCC(C)C 62a_100000210312_100009818208 [0,1,0,0,0,1|2,0,0]=4 3908 B11R0.6 CC(=O)OC(C)SCCC(C)C 62a_100009818208_100000210312 [0,1,0,0,0,1|2,0,0]=4 3909 B11R0.6 CC(=O)OC(C)SCCC(C)O 62a_100009818208_100012276601 [0,1,0,0,0,1|2,0,0]=4 3910 B11R0.6 CC(=O)OC(C)SCCC(C)O 62a_100012276601_100009818208 [0,1,0,0,0,1|2,0,0]=4 3911 B11R0.6 CC(C)CCCN(C)CC(=O)N 2230a_100000739694_100011214892 [0,1,0,0,0,1|2,0,0]=4 3912 B11R0.6 CC(C)CCCN(C)CC(=O)O 269956a_100000746989_100011214892 [0,1,0,0,0,1|1,0,0]=3 3913 B11R0.6 CC(C)CNCC(O)CC(=O)O 269956a_100011218706_100000210760 [0,1,0,0,0,1|2,0,0]=4 3914 B11R0.6 CC(C)OCCN(C)CC(=O)O 269956a_100000746989_100000211751 [0,1,0,0,0,1|2,0,0]=4 3915 B11R0.6 CC(C)SCCN(C)CC(=O)O 269956a_100000746989_100000730970 [0,1,0,0,0,1|2,0,0]=4 3916 B11R0.6 CC(O)CCCN(C)CC(=O)N 2230a_100000739694_200000718107 [0,1,0,0,0,1|2,0,0]=4 3917 B11R0.6 CC(O)CCCN(C)CC(=O)O 269956a_100000746989_200000718107 [0,1,0,0,0,1|1,0,0]=3 3918 B11R0.6 CC(O)CNCC(O)CC(=O)O 269956a_100011218706_100011218427 [0,1,0,0,0,1|2,0,0]=4 3919 B11R0.6 CN(C)CCCN(C)CC(=O)O 269956a_100000746989_100000757444 [0,1,0,0,0,1|2,0,0]=4 3920 B11R0.6 C[C@@H](O)CNCC(O)CC(=O)O 269956a_100011218706_100009817552 [0,1,0,0,0,1|2,0,0]=4 3921 B11R0.68 CCCCC(=O)C(C)OC(=O)C 1458a_100000210183_100009818208 [0,1,0,0,0,1|1,0,1]=4 3922 B11R0.68 CCCCC(=O)[C@@H](C)NC(=O)C 1458a_100011504603_100000210211 [0,1,0,0,0,1|1,0,1]=4 3923 B11R0.68 CCCCC(=O)[C@H](C)OC(=O)C 1458a_100009816467_100000210211 [0,1,0,0,0,1|1,0,1]=4 3924 B11R0.68 CCCCC(C)N(C)CC(=O)N 2230a_100000739694_200011215066 [0,1,0,0,0,1|2,0,0]=4 3925 B11R0.68 CCCCC(C)N(C)CC(=O)N 270004a_100000739694_100000210087 [0,1,0,0,0,1|2,0,0]=4 3926 B11R0.68 CCCCC(C)N(C)CC(=O)O 269956a_100000746989_200011215066 [0,1,0,0,0,1|1,0,0]=3 3927 B11R0.68 CCCCN(C)C(C)OC(=O)C 269982a_100000207549_100009818208 [0,1,0,0,0,1|2,0,0]=4 3928 B11R0.77 CCCCCN(CC)CC(=O)O 269956a_100000746405_100000210326 [0,1,0,0,0,1|1,0,0]=3 3929 B11R0.77 CCCCCN(CO)CC(=O)[O-] 269956a_100016989150_100000210326 [0,1,0,0,0,1|1,0,1]=4 3930 B11R0.77 CCCCN[C@H](CC)CC(=O)O 269956a_100016995926_100000210211 [0,1,0,0,0,1|1,0,0]=3 3931 B11R0.77 CCCCN[C@H](CO)CC(=O)O 269956a_100009816507_100000210211 [0,1,0,0,0,1|1,0,0]=3 3932 B11R0.77 CCN(CCCCF)CC(=O)O 269956a_100000746405_100000729493 [0,1,0,0,0,1|2,0,0]=4 3933 B11R0.77 CCN(CCCCO)CC(=O)O 269956a_100000746405_100000210776 [0,1,0,0,0,1|2,0,0]=4 3934 B11R0.77 CCN(CCCOC)CC(=O)O 269956a_100000746405_100000740836 [0,1,0,0,0,1|2,0,0]=4 3935 B11R0.77 CCOCCN(CC)CC(=O)O 269956a_100000746405_100000210147 [0,1,0,0,0,1|2,0,0]=4 3936 B11R0.77 CCOCN[C@H](CC)CC(=O)O 269956a_100016995926_100000739092 [0,1,0,0,0,1|2,0,0]=4 3937 B11R0.77 CCOCN[C@H](CO)CC(=O)O 269956a_100009816507_100000739092 [0,1,0,0,0,1|2,0,0]=4 3938 B11R0.77 CCSCCN(CC)CC(=O)O 269956a_100000746405_100000757381 [0,1,0,0,0,1|2,0,0]=4 3939 B11R0.77 CC[C@H](CC(=O)O)NCCCF 269956a_100016995926_100011934791 [0,1,0,0,0,1|2,0,0]=4 3940 B11R0.77 CC[C@H](CC(=O)O)NCCCO 269956a_100016995926_100011215043 [0,1,0,0,0,1|2,0,0]=4 3941 B11R0.77 CC[C@H](CC(=O)O)NCCOC 269956a_100016995926_100000233755 [0,1,0,0,0,1|2,0,0]=4 3942 B11R0.77 CC[C@H](CC(=O)O)NCCSC 269956a_100016995926_100000212216 [0,1,0,0,0,1|2,0,0]=4 3943 B11R0.77 COCCN[C@H](CO)CC(=O)O 269956a_100009816507_100000233755 [0,1,0,0,0,1|2,0,0]=4 3944 B11R0.77 CSCCN[C@H](CO)CC(=O)O 269956a_100009816507_100000212216 [0,1,0,0,0,1|2,0,0]=4 3945 B11R0.77 O=C(O)C[C@@H](CO)NCCCF 269956a_100009816507_100011934791 [0,1,0,0,0,1|2,0,0]=4 3946 B11R0.77 O=C(O)C[C@@H](CO)NCCCO 269956a_100009816507_100011215043 [0,1,0,0,0,1|2,0,0]=4 3947 B11R0.107 CCC(C)CSC(C)OC(=O)C 62a_100000748023_100009818208 [0,1,0,0,0,1|2,0,0]=4 3948 B11R0.107 CCC(C)CSC(C)OC(=O)C 62a_100009818208_100000748023 [0,1,0,0,0,1|2,0,0]=4 3949 B11R0.107 CCC(C)NCC(O)CC(=O)O 269956a_100011218706_100000758301 [0,1,0,0,0,1|2,0,0]=4 3950 B11R0.107 CCC(O)CSC(C)OC(=O)C 62a_100009818208_100011218378 [0,1,0,0,0,1|2,0,0]=4 3951 B11R0.107 CCC(O)CSC(C)OC(=O)C 62a_100011218378_100009818208 [0,1,0,0,0,1|2,0,0]=4 3952 B11R0.107 CC[C@H](C)CSC(C)OC(=O)C 62a_100009816398_100009818208 [0,1,0,0,0,1|2,0,0]=4 3953 B11R0.107 CC[C@H](C)CSC(C)OC(=O)C 62a_100009818208_100009816398 [0,1,0,0,0,1|2,0,0]=4 3954 B11R0.139 C=C(C)C(=O)C(C)CCCCC 1458a_100000185857_200011218191 [0,1,0,0,0,1|2,0,0]=4 3955 B11R0.139 CC(C(=O)O)N(C)CCCCF 269956a_100000749554_100000729493 [0,1,0,0,0,1|2,0,0]=4 3956 B11R0.139 CC(C(=O)O)N(C)CCCCO 269956a_100000749554_100000210776 [0,1,0,0,0,1|2,0,0]=4 3957 B11R0.139 CCCCCC(C)C(=O)C(O)O 1458a_100000233687_200011218191 [0,1,0,0,0,1|0,0,2]=4 3958 B11R0.139 CCCCCC(C)C(=O)[C@@H](C)O 1458a_100000717761_200011218191 [0,1,0,0,0,1|1,0,1]=4 3959 B11R0.139 CCCCCC(C)C(=O)[C@H](C)O 1458a_217856618621_200011218191 [0,1,0,0,0,1|1,0,1]=4 3960 B11R0.139 CCCCCN(C)C(=O)C(=O)N 240690a_100000223495_100011215815 [0,1,0,0,0,1|2,0,0]=4 3961 B11R0.139 CCCCCN(C)C(C)C(=O)C 2230a_100000223495_100009814033 [0,1,0,0,0,1|2,0,0]=4 3962 B11R0.139 CCCCCN(C)C(C)C(=O)C 269982a_100000223495_100009814033 [0,1,0,0,0,1|2,0,0]=4 3963 B11R0.139 CCCCCN(C)C(C)C(=O)N 2230a_100000223495_100000702099 [0,1,0,0,0,1|2,0,0]=4 3964 B11R0.139 CCCCCN(C)C(C)C(=O)N 269982a_100000223495_100000184083 [0,1,0,0,0,1|2,0,0]=4 3965 B11R0.139 CCCCCN(C)C(C)C(=O)O 269956a_100000749554_100000210326 [0,1,0,0,0,1|1,0,0]=3 3966 B11R0.139 CCCCCN(C)C(F)C(=O)N 2230a_100000223495_100009813875 [0,1,0,0,0,1|2,0,0]=4 3967 B11R0.139 CCCCCN(C)C(F)C(=O)N 269982a_100000223495_100009813875 [0,1,0,0,0,1|2,0,0]=4 3968 B11R0.139 CCCCO[C@H](C)[C@H](N)C(=O)N 34a_100000003557_100000210210 [0,1,0,0,0,1|2,0,0]=4 3969 B11R0.139 CCOCCN(C)C(C)C(=O)O 269956a_100000749554_100000210147 [0,1,0,0,0,1|2,0,0]=4 3970 B11R0.139 CCSCCN(C)C(C)C(=O)O 269956a_100000749554_100000757381 [0,1,0,0,0,1|2,0,0]=4 3971 B11R0.139 COCCCN(C)C(C)C(=O)O 269956a_100000749554_100000740836 [0,1,0,0,0,1|2,0,0]=4 3972 B11R0.154 C=CC(=O)NC(C)CCCCC 1626a_100000211957_100000185746 [0,1,0,0,0,1|1,0,0]=3 3973 B11R0.154 C=CC(=O)NC(C)CCCCC 240690a_100000211957_200121576911 [0,1,0,0,0,1|1,0,0]=3 3974 B11R0.154 CCCCCC(=O)CC(=O)CO 1458a_100000210174_200012276598 [0,1,0,0,0,1|1,0,1]=4 3975 B11R0.154 CCCCCC(=O)CC(=O)OC 1458a_100000211351_100000210326 [0,1,0,0,0,1|1,0,1]=4 3976 B11R0.154 CCCCCC(=O)CC(=O)OC 1458a_100000212188_100000747449 [0,1,0,0,0,1|1,0,1]=4 3977 B11R0.154 CCCCCC(C)NC(=O)CC 11a_100000211957_100000210414 [0,1,0,0,0,1|1,0,0]=3 3978 B11R0.154 CCCCCC(C)NC(=O)CC 1626a_100000211957_100000210414 [0,1,0,0,0,1|1,0,0]=3 3979 B11R0.154 CCCCCC(C)NC(=O)CC 240690a_100000211957_100000210414 [0,1,0,0,0,1|1,0,0]=3 3980 B11R0.154 CCCCCC(C)NC(=O)CC 527a_100000211957_100000210414 [0,1,0,0,0,1|1,0,0]=3 3981 B11R0.154 CCCCCC(C)NC(=O)CO 240690a_100000211957_100000210174 [0,1,0,0,0,1|0,0,0]=2 3982 B11R0.154 CCCCCC(C)NC(=O)CO 527a_100000211957_100000210174 [0,1,0,0,0,1|0,0,0]=2 3983 B11R0.154 CCCCCC(C)NC(=O)NC 2708a_100000211957_106832991635 [0,1,0,0,0,1|1,0,0]=3 3984 B11R0.154 CCCCCC(C)NC(=O)NC 2708a_100102657272_100000211957 [0,1,0,0,0,1|1,0,0]=3 3985 B11R0.154 CCCCCC(C)NC(=O)NC 273464a_100000211957_100102657272 [0,1,0,0,0,1|1,0,0]=3 3986 B11R0.154 CCCCCC(C)NC(=O)NC 273464a_100102657272_100000211957 [0,1,0,0,0,1|1,0,0]=3 3987 B11R0.154 CCCCCC(C)NC(=O)NC 512a_100000211957_100102657272 [0,1,0,0,0,1|1,0,0]=3 3988 B11R0.154 CCCCCC(C)NC(=O)NC 512a_106832991638_100000211957 [0,1,0,0,0,1|1,0,0]=3 3989 B11R0.154 CCCCCC(C)NC(C)CO 2230a_100000211957_100012180447 [0,1,0,0,0,1|1,0,1]=4 3990 B11R0.154 CCCCCC(C)N[C@H](C)CO 2230a_100000737577_200011218191 [0,1,0,0,0,1|1,0,1]=4 3991 B11R0.154 CCCCCC(C)N[C@H](C)CO 270004a_100000737577_100000211708 [0,1,0,0,0,1|1,0,1]=4 3992 B11R0.154 CCCCCC(C)OC(C)CO 34a_100011215632_100012180447 [0,1,0,0,0,1|1,0,1]=4 3993 B11R0.154 CCCCCC(C)OC(C)CO 7a_100011215632_100012180447 [0,1,0,0,0,1|1,0,1]=4 3994 B11R0.154 CCCCCC(C)SC(C)CO 62a_100012180447_200011218191 [0,1,0,0,0,1|1,0,1]=4 3995 B11R0.154 CCCCCC(C)SC(C)OC 62a_100009879195_200011218191 [0,1,0,0,0,1|1,0,1]=4 3996 B11R0.154 CCCCCC(C)SC(C)OC 62a_200011218191_100009879195 [0,1,0,0,0,1|1,0,1]=4 3997 B11R0.154 CCCCCC(C)S[C@H](C)CO 62a_100016084084_200011218191 [0,1,0,0,0,1|1,0,1]=4 3998 B11R0.154 CCCCCC(C)S[C@H](C)CO 62a_200011218191_100016084084 [0,1,0,0,0,1|1,0,1]=4 3999 B11R0.154 CCCCCN(C)CC(=O)CC 269982a_100000223495_100000747405 [0,1,0,0,0,1|2,0,0]=4 4000 B11R0.154 CCCCCN(C)CC(=O)NC 2230a_100000189611_100000210326 [0,1,0,0,0,1|2,0,0]=4 4001 B11R0.154 CCCCCN(C)CC(=O)NC 2230a_100000223495_100000183359 [0,1,0,0,0,1|2,0,0]=4 4002 B11R0.154 CCCCCN(C)CC(=O)NC 269982a_100000223495_100000183359 [0,1,0,0,0,1|2,0,0]=4 4003 B11R0.154 CCCCCN(C)CC(=O)OC 2230a_100000198492_100000210326 [0,1,0,0,0,1|1,0,0]=3 4004 B11R0.154 CCCCCN(C)CC(=O)OC 2230a_100000223495_100000747449 [0,1,0,0,0,1|1,0,0]=3 4005 B11R0.154 CCCCCN(C)CC(=O)OC 269982a_100000223495_100000747449 [0,1,0,0,0,1|1,0,0]=3 4006 B11R0.154 CCCCNC(C)CC(=O)OC 2230a_100000102301_100009817358 [0,1,0,0,0,1|1,0,0]=3 4007 B11R0.154 CCCCNC(C)CC(=O)OC 7a_106832991798_100009817358 [0,1,0,0,0,1|1,0,0]=3 4008 B11R0.154 CCCCOC(C)CC(=O)OC 34a_100000210227_100009817358 [0,1,0,0,0,1|1,0,0]=3 4009 B11R0.154 CCCCOC(C)CC(=O)OC 7a_100000210227_100009817358 [0,1,0,0,0,1|1,0,0]=3 4010 B11R0.154 CCCCSC(C)CC(=O)OC 62a_100000210211_100009817358 [0,1,0,0,0,1|1,0,0]=3 4011 B11R0.154 CCCCSC(C)CC(=O)OC 62a_100009817358_100000210210 [0,1,0,0,0,1|1,0,0]=3 4012 B11R0.154 CCCOC[C@H](O)CC(=O)OC 34a_100000210258_100000754131 [0,1,0,0,0,1|2,0,0]=4 4013 B11R0.154 CCCSC[C@H](O)CC(=O)OC 62a_100000210303_100000754131 [0,1,0,0,0,1|2,0,0]=4 4014 B11R0.154 CCCSC[C@H](O)CC(=O)OC 62a_100000754131_100000210303 [0,1,0,0,0,1|2,0,0]=4 4015 B11R0.154 CCOCCN(C)CC(=O)OC 2230a_100000198492_100011215890 [0,1,0,0,0,1|2,0,0]=4 4016 B11R0.154 CCOCSC(C)CC(=O)OC 62a_100000739092_100009817358 [0,1,0,0,0,1|2,0,0]=4 4017 B11R0.154 CCOCSC(C)CC(=O)OC 62a_100009817358_100000739092 [0,1,0,0,0,1|2,0,0]=4 4018 B11R0.154 CCSCCN(C)CC(=O)OC 2230a_100000198492_100000757381 [0,1,0,0,0,1|2,0,0]=4 4019 B11R0.154 COC(=O)CC(C)NCCCF 2230a_100015189416_100009817358 [0,1,0,0,0,1|2,0,0]=4 4020 B11R0.154 COC(=O)CC(C)NCCCF 34a_100015189416_100009817358 [0,1,0,0,0,1|2,0,0]=4 4021 B11R0.154 COC(=O)CC(C)NCCSC 2230a_100020590264_100009817358 [0,1,0,0,0,1|2,0,0]=4 4022 B11R0.154 COC(=O)CC(C)OCCCBr 34a_100011217188_100009817358 [0,1,0,0,0,1|2,0,0]=4 4023 B11R0.154 COC(=O)CC(C)OCCCCl 34a_100000230001_100009817358 [0,1,0,0,0,1|2,0,0]=4 4024 B11R0.154 COC(=O)CC(C)OCCCF 34a_100000759539_100009817358 [0,1,0,0,0,1|2,0,0]=4 4025 B11R0.154 COC(=O)CC(C)OCCCN 34a_100000182051_100009817358 [0,1,0,0,0,1|2,0,0]=4 4026 B11R0.154 COC(=O)CC(C)OCCSC 34a_100000230434_100009817358 [0,1,0,0,0,1|2,0,0]=4 4027 B11R0.154 COC(=O)CC(C)OCCSC 7a_100000230434_100009817358 [0,1,0,0,0,1|2,0,0]=4 4028 B11R0.154 COC(=O)CC(C)SCCCF 62a_100009817358_100011934791 [0,1,0,0,0,1|2,0,0]=4 4029 B11R0.154 COC(=O)CC(C)SCCCF 62a_100011934791_100009817358 [0,1,0,0,0,1|2,0,0]=4 4030 B11R0.154 COC(=O)CC(C)SCCCO 62a_100009817358_100011215043 [0,1,0,0,0,1|2,0,0]=4 4031 B11R0.154 COC(=O)CC(C)SCCCO 62a_100011215043_100009817358 [0,1,0,0,0,1|2,0,0]=4 4032 B11R0.154 COC(=O)CC(C)SCCSC 62a_100000212216_100009817358 [0,1,0,0,0,1|2,0,0]=4 4033 B11R0.154 COC(=O)CC(C)SCCSC 62a_100009817358_100000751147 [0,1,0,0,0,1|2,0,0]=4 4034 B11R0.154 COC(=O)CN(C)CCCCF 2230a_100000198492_100000729493 [0,1,0,0,0,1|2,0,0]=4 4035 B11R0.154 COC(=O)CN(C)CCCCO 2230a_100000198492_100000210776 [0,1,0,0,0,1|2,0,0]=4 4036 B11R0.154 COC(=O)CN(C)CCCCO 2230a_100000717598_100000747449 [0,1,0,0,0,1|2,0,0]=4 4037 B11R0.154 COC(=O)CN(C)CCCCO 269982a_100000717598_100000747449 [0,1,0,0,0,1|2,0,0]=4 4038 B11R0.154 COCCCN(C)CC(=O)OC 2230a_100000198492_100000740836 [0,1,0,0,0,1|2,0,0]=4 4039 B11R0.154 COCCCN(C)CC(=O)OC 2230a_100000224831_100000747449 [0,1,0,0,0,1|2,0,0]=4 4040 B11R0.154 COCCCN(C)CC(=O)OC 269982a_100000224831_100000747449 [0,1,0,0,0,1|2,0,0]=4 4041 B11R0.154 COCCNC(C)CC(=O)OC 2230a_100000209980_100009817358 [0,1,0,0,0,1|2,0,0]=4 4042 B11R0.154 COCCOC(C)CC(=O)OC 34a_100000210237_100009817358 [0,1,0,0,0,1|2,0,0]=4 4043 B11R0.154 COCCSC(C)CC(=O)OC 62a_100000233755_100009817358 [0,1,0,0,0,1|2,0,0]=4 4044 B11R0.154 COCCSC(C)CC(=O)OC 62a_100009817358_100000233755 [0,1,0,0,0,1|2,0,0]=4 4045 B11R0.165 CCCCCC(C)NS(=O)(=O)C 40a_100000211957_100000738038 [0,1,0,0,0,1|1,0,1]=4 4046 B11R0.324 CC(C)(CC(=O)O)NCCCF 269956a_100000755897_100011934791 [0,1,0,0,0,1|2,0,0]=4 4047 B11R0.324 CC(C)(CC(=O)O)NCCCO 269956a_100000755897_100011215043 [0,1,0,0,0,1|2,0,0]=4 4048 B11R0.324 CCCCNC(C)(C)CC(=O)N 2230a_100000763158_100000210211 [0,1,0,0,0,1|2,0,0]=4 4049 B11R0.324 CCCCNC(C)(C)CC(=O)O 269956a_100000755897_100000210211 [0,1,0,0,0,1|1,0,0]=3 4050 B11R0.324 CCCCOC(C)(C)CC(=O)C 7a_100000210262_100000210211 [0,1,0,0,0,1|2,0,0]=4 4051 B11R0.324 CCOCNC(C)(C)CC(=O)O 269956a_100000755897_100000739092 [0,1,0,0,0,1|2,0,0]=4 4052 B11R0.324 COCCNC(C)(C)CC(=O)O 269956a_100000755897_100000233755 [0,1,0,0,0,1|2,0,0]=4 4053 B11R0.324 CSCCNC(C)(C)CC(=O)O 269956a_100000755897_100000212216 [0,1,0,0,0,1|2,0,0]=4 4054 B11R0.151 CCCCCNC(C)C(C)(C)O 269862a_100000209983_100000747739 [0,2,0,0,0,0|1,0,1]=4 4055 B11R0.151 CCCCCN[C@@H](C)C(C)(C)O 2230a_100025708725_100000210326 [0,2,0,0,0,0|1,0,1]=4 4056 B11R0.10 CCCC(C)NC(C)(C)C(=O)N 2230a_100000741246_100000702505 [0,2,0,0,0,0|2,0,0]=4 4057 B11R0.10 CCCC(C)NC(C)(C)C(=O)N 2230a_100000743658_100000766640 [0,2,0,0,0,0|2,0,0]=4 4058 B11R0.10 CCCC(C)NC(C)(C)C(=O)N 34a_100000743658_100000766640 [0,2,0,0,0,0|2,0,0]=4 4059 B11R0.10 CCCC(C)OC(C)(C)C(=O)C 34a_100000747739_100000766640 [0,2,0,0,0,0|2,0,0]=4 4060 B11R0.10 CCCC(C)OC(C)(C)C(=O)C 7a_100000747739_100000766640 [0,2,0,0,0,0|2,0,0]=4 4061 B11R0.10 CCCC(C)OC(C)(C)C(=O)C 7a_100000764384_100000075568 [0,2,0,0,0,0|2,0,0]=4 4062 B11R0.10 CCCC(C)OC(C)(C)C(=O)N 34a_100000764384_100000702505 [0,2,0,0,0,0|2,0,0]=4 4063 B11R0.10 CCCC(C)OC(C)(C)C(=O)N 34a_100011626353_100000766640 [0,2,0,0,0,0|2,0,0]=4 4064 B11R0.10 CCCC(C)OC(C)(C)C(=O)N 7a_100000764384_100000702505 [0,2,0,0,0,0|2,0,0]=4 4065 B11R0.10 CCCC(C)OC(C)(C)C(=O)N 7a_100011626353_100000766640 [0,2,0,0,0,0|2,0,0]=4 4066 B11R0.10 CCCC(C)SC(C)(C)C(=O)C 62a_100000075568_100000766640 [0,2,0,0,0,0|2,0,0]=4 4067 B11R0.10 CCCC(C)SC(C)(C)C(=O)C 62a_100000766640_100000075568 [0,2,0,0,0,0|2,0,0]=4 4068 B11R0.10 CCCC(C)SC(C)(C)C(=O)N 62a_100000702505_100000766640 [0,2,0,0,0,0|2,0,0]=4 4069 B11R0.10 CCCC(C)SC(C)(C)C(=O)N 62a_100000766640_100000702505 [0,2,0,0,0,0|2,0,0]=4 4070 B11R0.10 CCCN(C)CC(C)(C)C(=O)N 269982a_100000747261_200009895572 [0,2,0,0,0,0|2,0,0]=4 4071 B11R0.33 CC(=O)C(C)NC(C)CC(C)C 2230a_100000692259_100009814033 [0,2,0,0,0,0|2,0,0]=4 4072 B11R0.33 CC(=O)C(C)OC(C)CC(C)C 34a_100000212229_100000731052 [0,2,0,0,0,0|2,0,0]=4 4073 B11R0.33 CC(=O)C(C)OC(C)CC(C)C 7a_100000211805_100000179758 [0,2,0,0,0,0|2,0,0]=4 4074 B11R0.33 CC(=O)C(C)SC(C)CC(C)C 62a_100000731052_100009814033 [0,2,0,0,0,0|2,0,0]=4 4075 B11R0.33 CC(=O)C(C)SC(C)CC(C)C 62a_100009814033_100000731052 [0,2,0,0,0,0|2,0,0]=4 4076 B11R0.33 CC(C)CC(C)NC(C)C(=O)N 2230a_100000692259_100000702099 [0,2,0,0,0,0|2,0,0]=4 4077 B11R0.33 CC(C)CC(C)N[C@@H](C)C(=O)O 269956a_100000743915_100000731052 [0,2,0,0,0,0|1,0,0]=3 4078 B11R0.33 CC(C)CC(C)N[C@H](C)C(=O)N 2230a_100000119354_100000731052 [0,2,0,0,0,0|2,0,0]=4 4079 B11R0.33 CC(C)CC(C)N[C@H](C)C(=O)N 34a_100000119354_100000731052 [0,2,0,0,0,0|2,0,0]=4 4080 B11R0.33 CC(C)CC(C)OC(C)C(=O)N 34a_100000211805_100000702099 [0,2,0,0,0,0|2,0,0]=4 4081 B11R0.33 CC(C)CC(C)OC(C)C(=O)N 7a_100000211805_100000702099 [0,2,0,0,0,0|2,0,0]=4 4082 B11R0.33 CC(C)CC(C)O[C@@H](C)C(=O)[O-] 7a_217856618621_100000731052 [0,2,0,0,0,0|1,0,1]=4 4083 B11R0.33 CC(C)CC(C)O[C@H](C)C(=O)N 34a_100000731257_100000731052 [0,2,0,0,0,0|2,0,0]=4 4084 B11R0.33 CC(C)CC(C)O[C@H](C)C(=O)N 7a_100000731257_100000731052 [0,2,0,0,0,0|2,0,0]=4 4085 B11R0.33 CC(C)CC(C)SC(C)C(=O)N 62a_100000702099_100000731052 [0,2,0,0,0,0|2,0,0]=4 4086 B11R0.33 CC(C)CC(C)SC(C)C(=O)N 62a_100000731052_100000702099 [0,2,0,0,0,0|2,0,0]=4 4087 B11R0.33 CC(CN(C)C)N[C@@H](C)C(=O)O 269956a_100000743915_100020606517 [0,2,0,0,0,0|2,0,0]=4 4088 B11R0.37 C#CC(CCC)OC(C)C(=O)C 7a_200011217317_100000179758 [0,2,0,0,0,0|2,0,0]=4 4089 B11R0.37 C#CC(CCC)OC(C)C(=O)N 34a_200011217317_100000702099 [0,2,0,0,0,0|2,0,0]=4 4090 B11R0.37 C#CC(CCC)OC(C)C(=O)N 7a_200011217317_100000702099 [0,2,0,0,0,0|2,0,0]=4 4091 B11R0.37 C=CC(CCC)OC(C)C(=O)C 7a_100011216692_100000179758 [0,2,0,0,0,0|2,0,0]=4 4092 B11R0.37 C=CC(CCC)OC(C)C(=O)N 34a_100011216692_100000702099 [0,2,0,0,0,0|2,0,0]=4 4093 B11R0.37 C=CC(CCC)OC(C)C(=O)N 7a_100011216692_100000702099 [0,2,0,0,0,0|2,0,0]=4 4094 B11R0.37 CCCC(C#N)OC(C)C(=O)C 7a_100000686963_100000179758 [0,2,0,0,0,0|2,0,0]=4 4095 B11R0.37 CCCC(C#N)OC(C)C(=O)N 34a_100000686963_100000702099 [0,2,0,0,0,0|2,0,0]=4 4096 B11R0.37 CCCC(C#N)OC(C)C(=O)N 7a_100000686963_100000702099 [0,2,0,0,0,0|2,0,0]=4 4097 B11R0.37 CCCC(CC)NC(C)C(=O)C 2230a_100000747048_100009814033 [0,2,0,0,0,0|2,0,0]=4 4098 B11R0.37 CCCC(CC)NC(C)C(=O)N 2230a_100000747048_100000702099 [0,2,0,0,0,0|2,0,0]=4 4099 B11R0.37 CCCC(CC)N[C@@H](C)C(=O)O 269956a_100000743915_100011219200 [0,2,0,0,0,0|1,0,0]=3 4100 B11R0.37 CCCC(CC)N[C@H](C)C(=O)N 270004a_100000119354_100000687865 [0,2,0,0,0,0|2,0,0]=4 4101 B11R0.37 CCCC(CC)OC(C)C(=O)C 7a_100000687864_100000179758 [0,2,0,0,0,0|2,0,0]=4 4102 B11R0.37 CCCC(CC)OC(C)C(=O)N 34a_100000687864_100000702099 [0,2,0,0,0,0|2,0,0]=4 4103 B11R0.37 CCCC(CC)OC(C)C(=O)N 7a_100000687864_100000702099 [0,2,0,0,0,0|2,0,0]=4 4104 B11R0.37 CCCC(CC)O[C@@H](C)C(=O)[O-] 7a_217856618621_100011219200 [0,2,0,0,0,0|1,0,1]=4 4105 B11R0.37 CCCC(CC)O[C@H](C)C(=O)N 7a_100000731257_100011219200 [0,2,0,0,0,0|2,0,0]=4 4106 B11R0.37 CCCC(CC)SC(C)C(=O)C 62a_100009814033_100011219200 [0,2,0,0,0,0|2,0,0]=4 4107 B11R0.37 CCCC(CC)SC(C)C(=O)C 62a_100011219200_100009814033 [0,2,0,0,0,0|2,0,0]=4 4108 B11R0.37 CCCC(CC)SC(C)C(=O)N 62a_100000702099_100011219200 [0,2,0,0,0,0|2,0,0]=4 4109 B11R0.37 CCCC(CC)SC(C)C(=O)N 62a_100011219200_100000702099 [0,2,0,0,0,0|2,0,0]=4 4110 B11R0.37 CCC[C@@H](CO)NC(C)C(=O)C 2230a_100000732646_100009814033 [0,2,0,0,0,0|2,0,0]=4 4111 B11R0.37 CCC[C@@H](CO)NC(C)C(=O)N 2230a_100000732646_100000702099 [0,2,0,0,0,0|2,0,0]=4 4112 B11R0.37 CCC[C@@H](CO)NC(C)C(=O)N 34a_100000732646_100000702099 [0,2,0,0,0,0|2,0,0]=4 4113 B11R0.55 C=C[C@H](NC(C)CCC)C(=O)O 269956a_100016992060_100000766640 [0,2,0,0,0,0|1,0,1]=4 4114 B11R0.55 CC(CCO)NC(CO)C(=O)O 269956a_100000187304_100009893172 [0,2,0,0,0,0|2,0,0]=4 4115 B11R0.55 CCCC(C)NC(CC)C(=O)N 2230a_100000733705_100000766640 [0,2,0,0,0,0|2,0,0]=4 4116 B11R0.55 CCCC(C)NC(CC)C(=O)N 2230a_100000741246_100000750255 [0,2,0,0,0,0|2,0,0]=4 4117 B11R0.55 CCCC(C)NC(CC)C(=O)N 34a_100000733705_100000766640 [0,2,0,0,0,0|2,0,0]=4 4118 B11R0.55 CCCC(C)NC(CO)C(=O)O 269956a_100000187304_100000766640 [0,2,0,0,0,0|1,0,0]=3 4119 B11R0.55 CCCC(C)N[C@@H](CO)C(=O)N 2230a_100000729942_100000766640 [0,2,0,0,0,0|2,0,0]=4 4120 B11R0.55 CCCC(C)N[C@@H](CO)C(=O)N 270004a_100000729942_100000211909 [0,2,0,0,0,0|2,0,0]=4 4121 B11R0.55 CCCC(C)N[C@@H](CO)C(=O)N 34a_100000729942_100000766640 [0,2,0,0,0,0|2,0,0]=4 4122 B11R0.55 CCCC(C)N[C@H](CC)C(=O)O 269956a_100000747097_100000766640 [0,2,0,0,0,0|1,0,0]=3 4123 B11R0.55 CCCC(C)OC(CC)C(=O)N 34a_100000764384_100000750255 [0,2,0,0,0,0|2,0,0]=4 4124 B11R0.55 CCCC(C)OC(CC)C(=O)N 7a_100000764384_100000750255 [0,2,0,0,0,0|2,0,0]=4 4125 B11R0.55 CCCC(C)SC(CC)C(=O)N 62a_100000750255_100000766640 [0,2,0,0,0,0|2,0,0]=4 4126 B11R0.55 CCCC(C)SC(CC)C(=O)N 62a_100000766640_100000750255 [0,2,0,0,0,0|2,0,0]=4 4127 B11R0.55 CC[C@@H](NC(C)CCO)C(=O)O 269956a_100000747097_100009893172 [0,2,0,0,0,0|2,0,0]=4 4128 B11R0.55 CC[C@@H](NC(C)COC)C(=O)O 269956a_100000747097_100000765312 [0,2,0,0,0,0|2,0,0]=4 4129 B11R0.55 COCC(C)NC(CO)C(=O)O 269956a_100000187304_100000765312 [0,2,0,0,0,0|2,0,0]=4 4130 B11R0.58 CC(CCO)N(C)C(C)C(=O)O 269956a_100000749554_100009893172 [0,2,0,0,0,0|2,0,0]=4 4131 B11R0.58 CCCC(C)C(=O)C(C)C(=O)C 1458a_100000210906_100000179758 [0,2,0,0,0,0|1,0,1]=4 4132 B11R0.58 CCCC(C)C(=O)C(C)C(=O)N 1458a_100000210906_100000702099 [0,2,0,0,0,0|1,0,1]=4 4133 B11R0.58 CCCC(C)N(C)C(C)C(=O)O 269956a_100000749554_100000766640 [0,2,0,0,0,0|1,0,0]=3 4134 B11R0.58 CCC[C@H](O)C(=O)C(C)C(=O)C 1458a_100009822183_100000179758 [0,2,0,0,0,0|1,0,1]=4 4135 B11R0.58 CCC[C@H](O)C(=O)C(C)C(=O)N 1458a_100009822183_100000702099 [0,2,0,0,0,0|1,0,1]=4 4136 B11R0.58 COCC(C)N(C)C(C)C(=O)O 269956a_100000749554_100000765312 [0,2,0,0,0,0|2,0,0]=4 4137 B11R0.117 CCC(=O)C(C)N[C@@H](C)C(=O)O 269956a_100000743915_100000742827 [0,2,0,0,0,0|1,0,1]=4 4138 B11R0.117 CCC(C)C(C)N[C@H](C)C(=O)N 270004a_100000119354_100000210599 [0,2,0,0,0,0|2,0,0]=4 4139 B11R0.117 CCC(C)C(C)OC(C)C(=O)C 7a_100011215189_100000179758 [0,2,0,0,0,0|2,0,0]=4 4140 B11R0.117 CCC(C)C(C)OC(C)C(=O)N 7a_100011215189_100000702099 [0,2,0,0,0,0|2,0,0]=4 4141 B11R0.163 C=C(C)C(C)NC(C)CCCC 269862a_100000126638_100011216138 [0,2,0,0,0,0|2,0,0]=4 4142 B11R0.163 CC(=O)C(C)OC(C)CCCCl 7a_200000718107_100000179758 [0,2,0,0,0,0|2,0,0]=4 4143 B11R0.163 CC(CCCCl)OC(C)C(=O)N 34a_200000718107_100000702099 [0,2,0,0,0,0|2,0,0]=4 4144 B11R0.163 CC(CCCCl)OC(C)C(=O)N 7a_200000718107_100000702099 [0,2,0,0,0,0|2,0,0]=4 4145 B11R0.163 CCCCC(=O)CN(C)C(=O)C 1458a_100000194957_100000210211 [0,2,0,0,0,0|2,0,0]=4 4146 B11R0.163 CCCCC(=O)CN(C)C(=O)N 1458a_100000218718_100000210211 [0,2,0,0,0,0|2,0,0]=4 4147 B11R0.163 CCCCC(=O)N[C@H](C)C(=O)N 11a_100000119354_100000210183 [0,2,0,0,0,0|1,0,1]=4 4148 B11R0.163 CCCCC(=O)N[C@H](C)C(=O)N 240690a_100000119354_100000210183 [0,2,0,0,0,0|1,0,1]=4 4149 B11R0.163 CCCCC(=O)N[C@H](C)C(=O)N 527a_100000119354_100000210183 [0,2,0,0,0,0|1,0,1]=4 4150 B11R0.163 CCCCC(C)NC(C)C(=O)C 2230a_100000126638_100009814033 [0,2,0,0,0,0|1,0,0]=3 4151 B11R0.163 CCCCC(C)NC(C)C(=O)N 2230a_100000126638_100000702099 [0,2,0,0,0,0|1,0,0]=3 4152 B11R0.163 CCCCC(C)NC(F)C(=O)N 2230a_100000126638_100009813875 [0,2,0,0,0,0|2,0,0]=4 4153 B11R0.163 CCCCC(C)N[C@@H](C)C(=O)O 269956a_100000743915_200011215066 [0,2,0,0,0,0|0,0,0]=2 4154 B11R0.163 CCCCC(C)N[C@H](C)C(=O)N 2230a_100000119354_200011215066 [0,2,0,0,0,0|1,0,0]=3 4155 B11R0.163 CCCCC(C)N[C@H](C)C(=O)N 270004a_100000119354_100000210087 [0,2,0,0,0,0|1,0,0]=3 4156 B11R0.163 CCCCC(C)N[C@H](C)C(=O)N 34a_100000119354_200011215066 [0,2,0,0,0,0|1,0,0]=3 4157 B11R0.163 CCCCC(C)OC(C)C(=O)C 34a_100000212229_200011215066 [0,2,0,0,0,0|1,0,0]=3 4158 B11R0.163 CCCCC(C)OC(C)C(=O)C 7a_100000687866_100000179758 [0,2,0,0,0,0|1,0,0]=3 4159 B11R0.163 CCCCC(C)OC(C)C(=O)N 34a_100000687866_100000702099 [0,2,0,0,0,0|1,0,0]=3 4160 B11R0.163 CCCCC(C)OC(C)C(=O)N 7a_100000687866_100000702099 [0,2,0,0,0,0|1,0,0]=3 4161 B11R0.163 CCCCC(C)OC(F)C(=O)N 34a_100000687866_100009813875 [0,2,0,0,0,0|2,0,0]=4 4162 B11R0.163 CCCCC(C)OC(F)C(=O)N 7a_100000687866_100009813875 [0,2,0,0,0,0|2,0,0]=4 4163 B11R0.163 CCCCC(C)OC(F)C(=O)[O-] 34a_100000687866_100020610796 [0,2,0,0,0,0|1,0,1]=4 4164 B11R0.163 CCCCC(C)O[C@@H](C)C(=O)[O-] 7a_217856618621_200011215066 [0,2,0,0,0,0|0,0,1]=3 4165 B11R0.163 CCCCC(C)O[C@H](C)C(=O)N 34a_100000731257_200011215066 [0,2,0,0,0,0|1,0,0]=3 4166 B11R0.163 CCCCC(C)O[C@H](C)C(=O)N 7a_100000731257_200011215066 [0,2,0,0,0,0|1,0,0]=3 4167 B11R0.163 CCCCC(C)SC(C)C(=O)C 62a_100009814033_200011215066 [0,2,0,0,0,0|1,0,0]=3 4168 B11R0.163 CCCCC(C)SC(C)C(=O)C 62a_200011215066_100009814033 [0,2,0,0,0,0|1,0,0]=3 4169 B11R0.163 CCCCC(C)SC(C)C(=O)N 62a_100000702099_200011215066 [0,2,0,0,0,0|1,0,0]=3 4170 B11R0.163 CCCCC(C)SC(C)C(=O)N 62a_200011215066_100000702099 [0,2,0,0,0,0|1,0,0]=3 4171 B11R0.163 CCCCC(C)SC(F)C(=O)N 62a_100009813875_200011215066 [0,2,0,0,0,0|2,0,0]=4 4172 B11R0.163 CCCCC(C)SC(F)C(=O)N 62a_200011215066_100009813875 [0,2,0,0,0,0|2,0,0]=4 4173 B11R0.163 CCCCC(C)SC(F)C(=O)[O-] 62a_100020610796_200011215066 [0,2,0,0,0,0|1,0,1]=4 4174 B11R0.163 CCCCC(C)SC(F)C(=O)[O-] 62a_200011215066_100020610796 [0,2,0,0,0,0|1,0,1]=4 4175 B11R0.163 CCNCC(=O)N[C@@H](C)C(=O)O 269956a_100011417567_100000210202 [0,2,0,0,0,0|1,0,1]=4 4176 B11R0.163 CCOCC(C)OC(C)C(=O)C 7a_100000718985_100000179758 [0,2,0,0,0,0|2,0,0]=4 4177 B11R0.163 CCOCC(C)OC(C)C(=O)N 34a_100000718985_100000702099 [0,2,0,0,0,0|2,0,0]=4 4178 B11R0.163 CCOCC(C)OC(C)C(=O)N 7a_100000718985_100000702099 [0,2,0,0,0,0|2,0,0]=4 4179 B11R0.163 CCSCC(C)N[C@H](C)C(=O)N 270004a_100000119354_200011216171 [0,2,0,0,0,0|2,0,0]=4 4180 B11R0.163 COCCC(C)N[C@H](C)C(=O)N 270004a_100000119354_100000742357 [0,2,0,0,0,0|2,0,0]=4 4181 B11R0.163 CSCCC(C)N[C@H](C)C(=O)N 270004a_100000119354_100011217047 [0,2,0,0,0,0|2,0,0]=4 4182 B11R0.184 CCCC(C)(C)OC(C)C(=O)C 7a_100000748436_100000179758 [0,2,0,0,0,0|2,0,0]=4 4183 B11R0.184 CCCC(C)(C)OC(C)C(=O)N 7a_100000748436_100000702099 [0,2,0,0,0,0|2,0,0]=4 4184 B11R0.187 CCCC(=O)N[C@H](C)C(=O)OC 188690a_100000687819_100000211992 [0,2,0,0,0,0|1,0,1]=4 4185 B11R0.187 CCCC(C)NC(C)C(=O)CC 2230a_100000741246_100000742827 [0,2,0,0,0,0|2,0,0]=4 4186 B11R0.187 CCCC(C)NC(C)C(=O)NC 2230a_100000741246_100000731044 [0,2,0,0,0,0|2,0,0]=4 4187 B11R0.187 CCCC(C)NC(C)C(=O)OC 2230a_100000741246_100000211248 [0,2,0,0,0,0|1,0,0]=3 4188 B11R0.187 CCCC(C)N[C@H](C)C(=O)NC 2230a_100000684985_100000766640 [0,2,0,0,0,0|2,0,0]=4 4189 B11R0.187 CCCC(C)N[C@H](C)C(=O)NC 34a_100000684985_100000766640 [0,2,0,0,0,0|2,0,0]=4 4190 B11R0.187 CCCC(C)OC(C)C(=O)CC 7a_100000764384_100000742827 [0,2,0,0,0,0|2,0,0]=4 4191 B11R0.187 CCCC(C)OC(C)C(=O)NC 34a_100000764384_100000731044 [0,2,0,0,0,0|2,0,0]=4 4192 B11R0.187 CCCC(C)OC(C)C(=O)NC 7a_100000764384_100000209862 [0,2,0,0,0,0|2,0,0]=4 4193 B11R0.187 CCCC(C)OC(C)C(=O)NN 34a_100000725659_100000766640 [0,2,0,0,0,0|2,0,0]=4 4194 B11R0.187 CCCC(C)OC(C)C(=O)OC 34a_100000764384_100000211248 [0,2,0,0,0,0|1,0,0]=3 4195 B11R0.187 CCCC(C)OC(C)C(=O)OC 34a_100011215400_100000766640 [0,2,0,0,0,0|1,0,0]=3 4196 B11R0.187 CCCC(C)OC(C)C(=O)OC 7a_100000764384_100000211248 [0,2,0,0,0,0|1,0,0]=3 4197 B11R0.187 CCCC(C)SC(C)C(=O)CC 62a_100000742827_100000766640 [0,2,0,0,0,0|2,0,0]=4 4198 B11R0.187 CCCC(C)SC(C)C(=O)CC 62a_100000766640_100000742827 [0,2,0,0,0,0|2,0,0]=4 4199 B11R0.187 CCCC(C)SC(C)C(=O)NC 62a_100000209862_100000766640 [0,2,0,0,0,0|2,0,0]=4 4200 B11R0.187 CCCC(C)SC(C)C(=O)NC 62a_100000766640_100000731044 [0,2,0,0,0,0|2,0,0]=4 4201 B11R0.187 CCCC(C)SC(C)C(=O)OC 62a_100000211248_100000766640 [0,2,0,0,0,0|1,0,0]=3 4202 B11R0.187 CCCC(C)SC(C)C(=O)OC 62a_100000766640_100000211248 [0,2,0,0,0,0|1,0,0]=3 4203 B11R0.187 CCCN(C)CC(C)C(=O)OC 269982a_100000747261_100000698445 [0,2,0,0,0,0|1,0,0]=3 4204 B11R0.187 CCOC(=O)CC(C)C(=O)CO 1458a_100000210174_100009817359 [0,2,0,0,0,0|1,0,1]=4 4205 B11R0.187 COC(=O)C(C)CN(C)CCO 269982a_100000210263_100000698445 [0,2,0,0,0,0|2,0,0]=4 4206 B11R0.187 COC(=O)C(C)N[C@H](C)CCO 2230a_100000706166_100000211248 [0,2,0,0,0,0|2,0,0]=4 4207 B11R0.187 COC(=O)C(C)N[C@H](C)CCO 34a_100000706166_100000211248 [0,2,0,0,0,0|2,0,0]=4 4208 B11R0.187 COC(=O)C(C)OC(C)CCBr 34a_100012276601_100000211248 [0,2,0,0,0,0|2,0,0]=4 4209 B11R0.187 COC(=O)C(C)OC(C)CCO 34a_100011215400_100009893172 [0,2,0,0,0,0|2,0,0]=4 4210 B11R0.187 COC(=O)C(C)SC(C)CCO 62a_100000211248_100009893172 [0,2,0,0,0,0|2,0,0]=4 4211 B11R0.187 COC(=O)C(C)SC(C)CCO 62a_100009893172_100000211248 [0,2,0,0,0,0|2,0,0]=4 4212 B11R0.187 COCC(C)OC(C)C(=O)OC 34a_100011215400_100000765312 [0,2,0,0,0,0|2,0,0]=4 4213 B11R0.187 COCC(C)SC(C)C(=O)OC 62a_100000211248_100000765312 [0,2,0,0,0,0|2,0,0]=4 4214 B11R0.187 COCC(C)SC(C)C(=O)OC 62a_100000765312_100000211248 [0,2,0,0,0,0|2,0,0]=4 4215 B11R0.187 COCC(O)CN(C)C(=O)CO 240690a_100000739405_100000210174 [0,2,0,0,0,0|2,0,0]=4 4216 B11R0.187 COCC(O)CN(C)C(=O)CO 527a_100000739405_100000210174 [0,2,0,0,0,0|2,0,0]=4 4217 B11R0.187 COC[C@@H](C)NC(C)C(=O)OC 2230a_100000764878_100000211248 [0,2,0,0,0,0|2,0,0]=4 4218 B11R0.187 COC[C@@H](C)OC(C)C(=O)OC 34a_100011934205_100000211248 [0,2,0,0,0,0|2,0,0]=4 4219 B11R0.74 CCCCN(C)C(C)(C)C(=O)C 269982a_100000207549_100000075568 [0,2,0,0,0,0|2,0,0]=4 4220 B11R0.74 CCCCN(C)C(C)(C)C(=O)N 2230a_100000207549_100000702505 [0,2,0,0,0,0|2,0,0]=4 4221 B11R0.74 CCCCN(C)C(C)(C)C(=O)N 269982a_100000207549_100000702505 [0,2,0,0,0,0|2,0,0]=4 4222 B11R0.125 C#CCCNCC(C)(C)C(=O)O 269956a_100000693527_100000688953 [0,2,0,0,0,0|0,0,2]=4 4223 B11R0.125 C/C=C/CNCC(C)(C)C(=O)O 269956a_100000693527_100102629194 [0,2,0,0,0,0|0,0,2]=4 4224 B11R0.125 C=CCCNCC(C)(C)C(=O)O 269956a_100000693527_100000754431 [0,2,0,0,0,0|0,0,2]=4 4225 B11R0.125 CC#CCNCC(C)(C)C(=O)O 269956a_100000693527_100000748600 [0,2,0,0,0,0|0,0,2]=4 4226 B11R0.125 CC(=O)C(C)(C)OCCCCCl 7a_100000210776_100000075568 [0,2,0,0,0,0|2,0,0]=4 4227 B11R0.125 CC(=O)C(C)(C)OCCCCF 34a_100000747739_100000729493 [0,2,0,0,0,0|2,0,0]=4 4228 B11R0.125 CC(=O)C(C)(C)OCCCCF 7a_100000747739_100000729493 [0,2,0,0,0,0|2,0,0]=4 4229 B11R0.125 CC(=O)C(C)(C)OCCCCF 7a_100011995726_100000075568 [0,2,0,0,0,0|2,0,0]=4 4230 B11R0.125 CC(=O)C(C)(C)OCCCCO 34a_100000747739_100011216708 [0,2,0,0,0,0|2,0,0]=4 4231 B11R0.125 CC(=O)C(C)(C)OCCCCO 7a_100000747739_100000210776 [0,2,0,0,0,0|2,0,0]=4 4232 B11R0.125 CC(=O)C(C)(C)SCCCCF 62a_100000075568_100000729493 [0,2,0,0,0,0|2,0,0]=4 4233 B11R0.125 CC(=O)C(C)(C)SCCCCF 62a_100000729493_100000075568 [0,2,0,0,0,0|2,0,0]=4 4234 B11R0.125 CC(=O)C(C)(C)SCCCCO 62a_100000075568_100000210776 [0,2,0,0,0,0|2,0,0]=4 4235 B11R0.125 CC(=O)C(C)(C)SCCCCO 62a_100000210776_100000075568 [0,2,0,0,0,0|2,0,0]=4 4236 B11R0.125 CC(C)(CNCCC#N)C(=O)O 269956a_100000693527_100011215226 [0,2,0,0,0,0|1,0,1]=4 4237 B11R0.125 CC(C)(CNCCCF)C(=O)N 2230a_100000740840_100011934791 [0,2,0,0,0,0|2,0,0]=4 4238 B11R0.125 CC(C)(CNCCCF)C(=O)N 34a_100000740840_100011934791 [0,2,0,0,0,0|2,0,0]=4 4239 B11R0.125 CC(C)(CNCCCF)C(=O)N 34a_100015189416_200009895572 [0,2,0,0,0,0|2,0,0]=4 4240 B11R0.125 CC(C)(CNCCCF)C(=O)O 269956a_100000693527_100011934791 [0,2,0,0,0,0|1,0,0]=3 4241 B11R0.125 CC(C)(CNCCCO)C(=O)N 2230a_100000740840_100000230001 [0,2,0,0,0,0|2,0,0]=4 4242 B11R0.125 CC(C)(CNCCCO)C(=O)N 34a_100000740840_100000230001 [0,2,0,0,0,0|2,0,0]=4 4243 B11R0.125 CC(C)(CNCCCO)C(=O)O 269956a_100000693527_100011215043 [0,2,0,0,0,0|1,0,0]=3 4244 B11R0.125 CC(C)(COCCCBr)C(=O)N 34a_100011217188_200009895572 [0,2,0,0,0,0|2,0,0]=4 4245 B11R0.125 CC(C)(COCCCCl)C(=O)N 34a_100000230001_200009895572 [0,2,0,0,0,0|2,0,0]=4 4246 B11R0.125 CC(C)(COCCCF)C(=O)N 34a_100000759539_200009895572 [0,2,0,0,0,0|2,0,0]=4 4247 B11R0.125 CC(C)(COCCCN)C(=O)N 34a_100000182051_200009895572 [0,2,0,0,0,0|2,0,0]=4 4248 B11R0.125 CC(C)(CSCCCF)C(=O)N 62a_100011934791_200009895572 [0,2,0,0,0,0|2,0,0]=4 4249 B11R0.125 CC(C)(CSCCCF)C(=O)N 62a_200009895572_100011934791 [0,2,0,0,0,0|2,0,0]=4 4250 B11R0.125 CC(C)(CSCCCO)C(=O)N 62a_100011215043_200009895572 [0,2,0,0,0,0|2,0,0]=4 4251 B11R0.125 CC(C)(CSCCCO)C(=O)N 62a_200009895572_100011215043 [0,2,0,0,0,0|2,0,0]=4 4252 B11R0.125 CC(C)(NCCCCF)C(=O)N 2230a_100000743658_100000729493 [0,2,0,0,0,0|2,0,0]=4 4253 B11R0.125 CC(C)(NCCCCF)C(=O)N 34a_100000743658_100000729493 [0,2,0,0,0,0|2,0,0]=4 4254 B11R0.125 CC(C)(NCCCCO)C(=O)N 2230a_100000743658_100000210776 [0,2,0,0,0,0|2,0,0]=4 4255 B11R0.125 CC(C)(NCCCCO)C(=O)N 2230a_100000750430_100000702505 [0,2,0,0,0,0|2,0,0]=4 4256 B11R0.125 CC(C)(NCCCCO)C(=O)N 34a_100000743658_100011216708 [0,2,0,0,0,0|2,0,0]=4 4257 B11R0.125 CC(C)(NCCCCO)C(=O)N 34a_100000750430_100000702505 [0,2,0,0,0,0|2,0,0]=4 4258 B11R0.125 CC(C)(OCCCCBr)C(=O)N 34a_100011216708_100000702505 [0,2,0,0,0,0|2,0,0]=4 4259 B11R0.125 CC(C)(OCCCCCl)C(=O)N 34a_100000210776_100000702505 [0,2,0,0,0,0|2,0,0]=4 4260 B11R0.125 CC(C)(OCCCCCl)C(=O)N 7a_100000210776_100000702505 [0,2,0,0,0,0|2,0,0]=4 4261 B11R0.125 CC(C)(OCCCCF)C(=O)N 34a_100011626353_100000729493 [0,2,0,0,0,0|2,0,0]=4 4262 B11R0.125 CC(C)(OCCCCF)C(=O)N 34a_100011995726_100000702505 [0,2,0,0,0,0|2,0,0]=4 4263 B11R0.125 CC(C)(OCCCCF)C(=O)N 7a_100011626353_100000729493 [0,2,0,0,0,0|2,0,0]=4 4264 B11R0.125 CC(C)(OCCCCF)C(=O)N 7a_100011995726_100000702505 [0,2,0,0,0,0|2,0,0]=4 4265 B11R0.125 CC(C)(OCCCCI)C(=O)N 34a_200012148704_100000702505 [0,2,0,0,0,0|2,0,0]=4 4266 B11R0.125 CC(C)(OCCCCN)C(=O)N 34a_100000750430_100000702505 [0,2,0,0,0,0|2,0,0]=4 4267 B11R0.125 CC(C)(OCCCCO)C(=O)N 34a_100011626353_100011216708 [0,2,0,0,0,0|2,0,0]=4 4268 B11R0.125 CC(C)(OCCCCO)C(=O)N 7a_100011626353_100000210776 [0,2,0,0,0,0|2,0,0]=4 4269 B11R0.125 CC(C)(ONCCCF)C(=O)O 269956a_100016989451_100011934791 [0,2,0,0,0,0|2,0,0]=4 4270 B11R0.125 CC(C)(ONCCCO)C(=O)O 269956a_100016989451_100011215043 [0,2,0,0,0,0|2,0,0]=4 4271 B11R0.125 CC(C)(SCCCCF)C(=O)N 62a_100000702505_100000729493 [0,2,0,0,0,0|2,0,0]=4 4272 B11R0.125 CC(C)(SCCCCF)C(=O)N 62a_100000729493_100000702505 [0,2,0,0,0,0|2,0,0]=4 4273 B11R0.125 CC(C)(SCCCCO)C(=O)N 62a_100000210776_100000702505 [0,2,0,0,0,0|2,0,0]=4 4274 B11R0.125 CC(C)(SCCCCO)C(=O)N 62a_100000702505_100000210776 [0,2,0,0,0,0|2,0,0]=4 4275 B11R0.125 CCCCCCC(C)(C)C(=O)C 1458a_100011290782_200000210301 [0,2,0,0,0,0|1,0,0]=3 4276 B11R0.125 CCCCCCC(C)(C)C(=O)[13CH3] 1458a_100011290782_200025704644 [0,2,0,0,0,0|1,0,0]=3 4277 B11R0.125 CCCCCNC(C)(C)C(=O)N 2230a_100000209983_100000702505 [0,2,0,0,0,0|1,0,0]=3 4278 B11R0.125 CCCCCNC(C)(C)C(=O)N 2230a_100000743658_100000210326 [0,2,0,0,0,0|1,0,0]=3 4279 B11R0.125 CCCCCNC(C)(C)C(=O)N 34a_100000743658_100000718602 [0,2,0,0,0,0|1,0,0]=3 4280 B11R0.125 CCCCCOC(C)(C)C(=O)C 34a_100000747739_100000718602 [0,2,0,0,0,0|1,0,0]=3 4281 B11R0.125 CCCCCOC(C)(C)C(=O)C 7a_100000210253_100000075568 [0,2,0,0,0,0|1,0,0]=3 4282 B11R0.125 CCCCCOC(C)(C)C(=O)C 7a_100000747739_100000210326 [0,2,0,0,0,0|1,0,0]=3 4283 B11R0.125 CCCCCOC(C)(C)C(=O)N 34a_100000210253_100000702505 [0,2,0,0,0,0|1,0,0]=3 4284 B11R0.125 CCCCCOC(C)(C)C(=O)N 34a_100011626353_100000718602 [0,2,0,0,0,0|1,0,0]=3 4285 B11R0.125 CCCCCOC(C)(C)C(=O)N 7a_100000210253_100000702505 [0,2,0,0,0,0|1,0,0]=3 4286 B11R0.125 CCCCCOC(C)(C)C(=O)N 7a_100011626353_100000210326 [0,2,0,0,0,0|1,0,0]=3 4287 B11R0.125 CCCCCOC(F)(F)C(=O)N 7a_100000210253_100009811971 [0,2,0,0,0,0|2,0,0]=4 4288 B11R0.125 CCCCCOC(F)(F)C(=O)[O-] 34a_100000210253_100020612412 [0,2,0,0,0,0|1,0,1]=4 4289 B11R0.125 CCCCCSC(C)(C)C(=O)C 62a_100000075568_100000210326 [0,2,0,0,0,0|1,0,0]=3 4290 B11R0.125 CCCCCSC(C)(C)C(=O)C 62a_100000210326_100000075568 [0,2,0,0,0,0|1,0,0]=3 4291 B11R0.125 CCCCCSC(C)(C)C(=O)N 62a_100000210326_100000702505 [0,2,0,0,0,0|1,0,0]=3 4292 B11R0.125 CCCCCSC(C)(C)C(=O)N 62a_100000702505_100000210326 [0,2,0,0,0,0|1,0,0]=3 4293 B11R0.125 CCCCCSC(C)(C)[N+](=O)[O-] 62a_100000210326_200009813997 [0,2,0,0,0,0|1,0,1]=4 4294 B11R0.125 CCCCCSC(C)(C)[N+](=O)[O-] 62a_200009813997_100000210326 [0,2,0,0,0,0|1,0,1]=4 4295 B11R0.125 CCCCCSC(F)(F)C(=O)N 62a_100000210326_100009811971 [0,2,0,0,0,0|2,0,0]=4 4296 B11R0.125 CCCCCSC(F)(F)C(=O)N 62a_100009811971_100000210326 [0,2,0,0,0,0|2,0,0]=4 4297 B11R0.125 CCCCCSC(F)(F)C(=O)[O-] 62a_100000210326_100000745680 [0,2,0,0,0,0|1,0,1]=4 4298 B11R0.125 CCCCCSC(F)(F)C(=O)[O-] 62a_100000745680_100000210326 [0,2,0,0,0,0|1,0,1]=4 4299 B11R0.125 CCCCNCC(C)(C)C(=O)N 2230a_100000740840_100000210211 [0,2,0,0,0,0|1,0,0]=3 4300 B11R0.125 CCCCNCC(C)(C)C(=O)N 34a_100000740840_100000210210 [0,2,0,0,0,0|1,0,0]=3 4301 B11R0.125 CCCCNCC(C)(C)C(=O)O 269956a_100000693527_100000210211 [0,2,0,0,0,0|0,0,0]=2 4302 B11R0.125 CCCCNCC(F)(F)C(=O)O 269956a_100000734215_100000210211 [0,2,0,0,0,0|1,0,0]=3 4303 B11R0.125 CCCCNOC(C)(C)C(=O)O 269956a_100016989451_100000210211 [0,2,0,0,0,0|1,0,0]=3 4304 B11R0.125 CCCCOCC(C)(C)C(=O)N 34a_100000210227_200009895572 [0,2,0,0,0,0|1,0,0]=3 4305 B11R0.125 CCCCOCC(C)(C)[N+](=O)[O-] 34a_100000032158_100000210210 [0,2,0,0,0,0|1,0,1]=4 4306 B11R0.125 CCCCOCC(C)(C)[N+](=O)[O-] 7a_100000032158_100000210211 [0,2,0,0,0,0|1,0,1]=4 4307 B11R0.125 CCCCSCC(C)(C)C(=O)N 62a_100000210211_200009895572 [0,2,0,0,0,0|1,0,0]=3 4308 B11R0.125 CCCCSCC(C)(C)C(=O)N 62a_200009895572_100000210210 [0,2,0,0,0,0|1,0,0]=3 4309 B11R0.125 CCOCCNC(C)(C)C(=O)N 2230a_100000743658_100011215890 [0,2,0,0,0,0|2,0,0]=4 4310 B11R0.125 CCOCCNC(C)(C)C(=O)N 2230a_102516460346_100000702505 [0,2,0,0,0,0|2,0,0]=4 4311 B11R0.125 CCOCCNC(C)(C)C(=O)N 34a_100000743658_100000210147 [0,2,0,0,0,0|2,0,0]=4 4312 B11R0.125 CCOCCNC(C)(C)C(=O)N 34a_102516460346_100000702505 [0,2,0,0,0,0|2,0,0]=4 4313 B11R0.125 CCOCCOC(C)(C)C(=O)C 34a_100000747739_100000210147 [0,2,0,0,0,0|2,0,0]=4 4314 B11R0.125 CCOCCOC(C)(C)C(=O)C 7a_100000210136_100000075568 [0,2,0,0,0,0|2,0,0]=4 4315 B11R0.125 CCOCCOC(C)(C)C(=O)C 7a_100000747739_100011215890 [0,2,0,0,0,0|2,0,0]=4 4316 B11R0.125 CCOCCOC(C)(C)C(=O)N 34a_100000210136_100000702505 [0,2,0,0,0,0|2,0,0]=4 4317 B11R0.125 CCOCCOC(C)(C)C(=O)N 34a_100011626353_100000210147 [0,2,0,0,0,0|2,0,0]=4 4318 B11R0.125 CCOCCOC(C)(C)C(=O)N 7a_100000210136_100000702505 [0,2,0,0,0,0|2,0,0]=4 4319 B11R0.125 CCOCCOC(C)(C)C(=O)N 7a_100011626353_100011215890 [0,2,0,0,0,0|2,0,0]=4 4320 B11R0.125 CCOCCSC(C)(C)C(=O)C 62a_100000075568_100011215890 [0,2,0,0,0,0|2,0,0]=4 4321 B11R0.125 CCOCCSC(C)(C)C(=O)C 62a_100000210147_100000075568 [0,2,0,0,0,0|2,0,0]=4 4322 B11R0.125 CCOCCSC(C)(C)C(=O)N 62a_100000210147_100000702505 [0,2,0,0,0,0|2,0,0]=4 4323 B11R0.125 CCOCCSC(C)(C)C(=O)N 62a_100000702505_100011215890 [0,2,0,0,0,0|2,0,0]=4 4324 B11R0.125 CCOCNCC(C)(C)C(=O)O 269956a_100000693527_100000739092 [0,2,0,0,0,0|1,0,0]=3 4325 B11R0.125 CCOCNCC(F)(F)C(=O)O 269956a_100000734215_100000739092 [0,2,0,0,0,0|2,0,0]=4 4326 B11R0.125 CCOCNOC(C)(C)C(=O)O 269956a_100016989451_100000739092 [0,2,0,0,0,0|2,0,0]=4 4327 B11R0.125 CCOCSCC(C)(C)C(=O)N 62a_100000739092_200009895572 [0,2,0,0,0,0|2,0,0]=4 4328 B11R0.125 CCOCSCC(C)(C)C(=O)N 62a_200009895572_100000739092 [0,2,0,0,0,0|2,0,0]=4 4329 B11R0.125 CCSCCNC(C)(C)C(=O)N 2230a_100000106463_100000702505 [0,2,0,0,0,0|2,0,0]=4 4330 B11R0.125 CCSCCNC(C)(C)C(=O)N 2230a_100000743658_100000757381 [0,2,0,0,0,0|2,0,0]=4 4331 B11R0.125 CCSCCNC(C)(C)C(=O)N 34a_100000743658_100000757381 [0,2,0,0,0,0|2,0,0]=4 4332 B11R0.125 CCSCCOC(C)(C)C(=O)C 34a_100000747739_100000757381 [0,2,0,0,0,0|2,0,0]=4 4333 B11R0.125 CCSCCOC(C)(C)C(=O)C 7a_100000212035_100000075568 [0,2,0,0,0,0|2,0,0]=4 4334 B11R0.125 CCSCCOC(C)(C)C(=O)C 7a_100000747739_100000757381 [0,2,0,0,0,0|2,0,0]=4 4335 B11R0.125 CCSCCOC(C)(C)C(=O)N 34a_100000212035_100000702505 [0,2,0,0,0,0|2,0,0]=4 4336 B11R0.125 CCSCCOC(C)(C)C(=O)N 34a_100011626353_100000757381 [0,2,0,0,0,0|2,0,0]=4 4337 B11R0.125 CCSCCOC(C)(C)C(=O)N 7a_100000212035_100000702505 [0,2,0,0,0,0|2,0,0]=4 4338 B11R0.125 CCSCCOC(C)(C)C(=O)N 7a_100011626353_100000757381 [0,2,0,0,0,0|2,0,0]=4 4339 B11R0.125 CCSCCSC(C)(C)C(=O)C 62a_100000075568_100000757381 [0,2,0,0,0,0|2,0,0]=4 4340 B11R0.125 CCSCCSC(C)(C)C(=O)C 62a_100000757381_100000075568 [0,2,0,0,0,0|2,0,0]=4 4341 B11R0.125 CCSCCSC(C)(C)C(=O)N 62a_100000702505_100000757381 [0,2,0,0,0,0|2,0,0]=4 4342 B11R0.125 CCSCCSC(C)(C)C(=O)N 62a_100000757381_100000702505 [0,2,0,0,0,0|2,0,0]=4 4343 B11R0.125 CNCCCOC(C)(C)C(=O)N 34a_100000213112_100000702505 [0,2,0,0,0,0|2,0,0]=4 4344 B11R0.125 COCCCNC(C)(C)C(=O)N 2230a_100000743658_100000740836 [0,2,0,0,0,0|2,0,0]=4 4345 B11R0.125 COCCCNC(C)(C)C(=O)N 34a_100000743658_100000740836 [0,2,0,0,0,0|2,0,0]=4 4346 B11R0.125 COCCCNC(C)(C)C(=O)N 34a_100150723488_100000702505 [0,2,0,0,0,0|2,0,0]=4 4347 B11R0.125 COCCCOC(C)(C)C(=O)C 34a_100000747739_100000740836 [0,2,0,0,0,0|2,0,0]=4 4348 B11R0.125 COCCCOC(C)(C)C(=O)C 7a_100000747739_100000740836 [0,2,0,0,0,0|2,0,0]=4 4349 B11R0.125 COCCCOC(C)(C)C(=O)N 34a_100000740835_100000702505 [0,2,0,0,0,0|2,0,0]=4 4350 B11R0.125 COCCCOC(C)(C)C(=O)N 34a_100011626353_100000740836 [0,2,0,0,0,0|2,0,0]=4 4351 B11R0.125 COCCCOC(C)(C)C(=O)N 7a_100011626353_100000740836 [0,2,0,0,0,0|2,0,0]=4 4352 B11R0.125 COCCCSC(C)(C)C(=O)C 62a_100000075568_100000709357 [0,2,0,0,0,0|2,0,0]=4 4353 B11R0.125 COCCCSC(C)(C)C(=O)C 62a_100000709357_100000075568 [0,2,0,0,0,0|2,0,0]=4 4354 B11R0.125 COCCCSC(C)(C)C(=O)N 62a_100000702505_100000709357 [0,2,0,0,0,0|2,0,0]=4 4355 B11R0.125 COCCCSC(C)(C)C(=O)N 62a_100000709357_100000702505 [0,2,0,0,0,0|2,0,0]=4 4356 B11R0.125 COCCNCC(C)(C)C(=O)N 2230a_100000740840_100011201679 [0,2,0,0,0,0|2,0,0]=4 4357 B11R0.125 COCCNCC(C)(C)C(=O)N 34a_100000740840_100011201679 [0,2,0,0,0,0|2,0,0]=4 4358 B11R0.125 COCCNCC(C)(C)C(=O)O 269956a_100000693527_100000233755 [0,2,0,0,0,0|1,0,0]=3 4359 B11R0.125 COCCNCC(F)(F)C(=O)O 269956a_100000734215_100000233755 [0,2,0,0,0,0|2,0,0]=4 4360 B11R0.125 COCCNOC(C)(C)C(=O)O 269956a_100016989451_100000233755 [0,2,0,0,0,0|2,0,0]=4 4361 B11R0.125 COCCOCC(C)(C)C(=O)N 34a_100000210237_200009895572 [0,2,0,0,0,0|2,0,0]=4 4362 B11R0.125 COCCSCC(C)(C)C(=O)N 62a_100000233755_200009895572 [0,2,0,0,0,0|2,0,0]=4 4363 B11R0.125 COCCSCC(C)(C)C(=O)N 62a_200009895572_100000233755 [0,2,0,0,0,0|2,0,0]=4 4364 B11R0.125 CSCCCNC(C)(C)C(=O)N 2230a_100000749238_100000702505 [0,2,0,0,0,0|2,0,0]=4 4365 B11R0.125 CSCCCOC(C)(C)C(=O)C 7a_100000690336_100000075568 [0,2,0,0,0,0|2,0,0]=4 4366 B11R0.125 CSCCCOC(C)(C)C(=O)N 34a_100000690336_100000702505 [0,2,0,0,0,0|2,0,0]=4 4367 B11R0.125 CSCCCOC(C)(C)C(=O)N 7a_100000690336_100000702505 [0,2,0,0,0,0|2,0,0]=4 4368 B11R0.125 CSCCNCC(C)(C)C(=O)N 2230a_100000740840_100000751147 [0,2,0,0,0,0|2,0,0]=4 4369 B11R0.125 CSCCNCC(C)(C)C(=O)N 34a_100000740840_100000212216 [0,2,0,0,0,0|2,0,0]=4 4370 B11R0.125 CSCCNCC(C)(C)C(=O)O 269956a_100000693527_100000212216 [0,2,0,0,0,0|1,0,0]=3 4371 B11R0.125 CSCCNCC(F)(F)C(=O)O 269956a_100000734215_100000212216 [0,2,0,0,0,0|2,0,0]=4 4372 B11R0.125 CSCCNOC(C)(C)C(=O)O 269956a_100016989451_100000212216 [0,2,0,0,0,0|2,0,0]=4 4373 B11R0.125 CSCCOCC(C)(C)C(=O)N 34a_100000230434_200009895572 [0,2,0,0,0,0|2,0,0]=4 4374 B11R0.125 CSCCSCC(C)(C)C(=O)N 62a_100000212216_200009895572 [0,2,0,0,0,0|2,0,0]=4 4375 B11R0.125 CSCCSCC(C)(C)C(=O)N 62a_200009895572_100000751147 [0,2,0,0,0,0|2,0,0]=4 4376 B11R0.125 O=C(O)C(F)(F)CNCCCF 269956a_100000734215_100011934791 [0,2,0,0,0,0|2,0,0]=4 4377 B11R0.125 O=C(O)C(F)(F)CNCCCO 269956a_100000734215_100011215043 [0,2,0,0,0,0|2,0,0]=4 4378 B11R0.201 CCC(C)CNC(C)(C)C(=O)N 2230a_100000743658_100000748023 [0,2,0,0,0,0|2,0,0]=4 4379 B11R0.201 CCC(C)CNC(C)(C)C(=O)N 2230a_100020588543_100000702505 [0,2,0,0,0,0|2,0,0]=4 4380 B11R0.201 CCC(C)CNC(C)(C)C(=O)N 34a_100000743658_100000748023 [0,2,0,0,0,0|2,0,0]=4 4381 B11R0.201 CCC(C)COC(C)(C)C(=O)C 34a_100000747739_100000748023 [0,2,0,0,0,0|2,0,0]=4 4382 B11R0.201 CCC(C)COC(C)(C)C(=O)C 7a_100000747739_100000748023 [0,2,0,0,0,0|2,0,0]=4 4383 B11R0.201 CCC(C)COC(C)(C)C(=O)N 34a_100011626353_100000748023 [0,2,0,0,0,0|2,0,0]=4 4384 B11R0.201 CCC(C)COC(C)(C)C(=O)N 7a_100011626353_100000748023 [0,2,0,0,0,0|2,0,0]=4 4385 B11R0.201 CCC(C)CSC(C)(C)C(=O)C 62a_100000075568_100000748023 [0,2,0,0,0,0|2,0,0]=4 4386 B11R0.201 CCC(C)CSC(C)(C)C(=O)C 62a_100000748023_100000075568 [0,2,0,0,0,0|2,0,0]=4 4387 B11R0.201 CCC(C)CSC(C)(C)C(=O)N 62a_100000702505_100000748023 [0,2,0,0,0,0|2,0,0]=4 4388 B11R0.201 CCC(C)CSC(C)(C)C(=O)N 62a_100000748023_100000702505 [0,2,0,0,0,0|2,0,0]=4 4389 B11R0.201 CCC(C)NCC(C)(C)C(=O)N 2230a_100000740840_100000758301 [0,2,0,0,0,0|2,0,0]=4 4390 B11R0.201 CCC(C)NCC(C)(C)C(=O)N 34a_100000740840_100011215416 [0,2,0,0,0,0|2,0,0]=4 4391 B11R0.201 CCC(C)NCC(C)(C)C(=O)O 269956a_100000693527_100000758301 [0,2,0,0,0,0|1,0,0]=3 4392 B11R0.201 CCC(C)NCC(F)(F)C(=O)O 269956a_100000734215_100000758301 [0,2,0,0,0,0|2,0,0]=4 4393 B11R0.201 CCC(C)NOC(C)(C)C(=O)O 269956a_100016989451_100000758301 [0,2,0,0,0,0|2,0,0]=4 4394 B11R0.201 CCC(C)SCC(C)(C)C(=O)N 62a_100000758301_200009895572 [0,2,0,0,0,0|2,0,0]=4 4395 B11R0.201 CCC(C)SCC(C)(C)C(=O)N 62a_200009895572_100000758301 [0,2,0,0,0,0|2,0,0]=4 4396 B11R0.201 CCC(O)CNC(C)(C)C(=O)N 2230a_100000743658_100011218378 [0,2,0,0,0,0|2,0,0]=4 4397 B11R0.201 CCC(O)CNC(C)(C)C(=O)N 2230a_100011218483_100000702505 [0,2,0,0,0,0|2,0,0]=4 4398 B11R0.201 CCC(O)CNC(C)(C)C(=O)N 34a_100000743658_100011218378 [0,2,0,0,0,0|2,0,0]=4 4399 B11R0.201 CCC(O)COC(C)(C)C(=O)C 34a_100000747739_100011218378 [0,2,0,0,0,0|2,0,0]=4 4400 B11R0.201 CCC(O)COC(C)(C)C(=O)C 7a_100000747739_100011218378 [0,2,0,0,0,0|2,0,0]=4 4401 B11R0.201 CCC(O)COC(C)(C)C(=O)N 34a_100011626353_100011218378 [0,2,0,0,0,0|2,0,0]=4 4402 B11R0.201 CCC(O)COC(C)(C)C(=O)N 7a_100011626353_100011218378 [0,2,0,0,0,0|2,0,0]=4 4403 B11R0.201 CCC(O)CSC(C)(C)C(=O)C 62a_100000075568_100011218378 [0,2,0,0,0,0|2,0,0]=4 4404 B11R0.201 CCC(O)CSC(C)(C)C(=O)C 62a_100011218378_100000075568 [0,2,0,0,0,0|2,0,0]=4 4405 B11R0.201 CCC(O)CSC(C)(C)C(=O)N 62a_100000702505_100011218378 [0,2,0,0,0,0|2,0,0]=4 4406 B11R0.201 CCC(O)CSC(C)(C)C(=O)N 62a_100011218378_100000702505 [0,2,0,0,0,0|2,0,0]=4 4407 B11R0.201 CC[C@H](C)CNC(C)(C)C(=O)N 2230a_100000743658_100009816398 [0,2,0,0,0,0|2,0,0]=4 4408 B11R0.201 CC[C@H](C)CNC(C)(C)C(=O)N 34a_100000743658_100009816398 [0,2,0,0,0,0|2,0,0]=4 4409 B11R0.201 CC[C@H](C)COC(C)(C)C(=O)C 34a_100000747739_100009816398 [0,2,0,0,0,0|2,0,0]=4 4410 B11R0.201 CC[C@H](C)COC(C)(C)C(=O)C 7a_100000747739_100009816398 [0,2,0,0,0,0|2,0,0]=4 4411 B11R0.201 CC[C@H](C)COC(C)(C)C(=O)C 7a_100009816381_100000075568 [0,2,0,0,0,0|2,0,0]=4 4412 B11R0.201 CC[C@H](C)COC(C)(C)C(=O)N 34a_100011626353_100009816398 [0,2,0,0,0,0|2,0,0]=4 4413 B11R0.201 CC[C@H](C)COC(C)(C)C(=O)N 7a_100009816381_100000702505 [0,2,0,0,0,0|2,0,0]=4 4414 B11R0.201 CC[C@H](C)COC(C)(C)C(=O)N 7a_100011626353_100009816398 [0,2,0,0,0,0|2,0,0]=4 4415 B11R0.201 CC[C@H](C)CSC(C)(C)C(=O)C 62a_100000075568_100009816398 [0,2,0,0,0,0|2,0,0]=4 4416 B11R0.201 CC[C@H](C)CSC(C)(C)C(=O)C 62a_100009816398_100000075568 [0,2,0,0,0,0|2,0,0]=4 4417 B11R0.201 CC[C@H](C)CSC(C)(C)C(=O)N 62a_100000702505_100009816398 [0,2,0,0,0,0|2,0,0]=4 4418 B11R0.201 CC[C@H](C)CSC(C)(C)C(=O)N 62a_100009816398_100000702505 [0,2,0,0,0,0|2,0,0]=4 4419 B11R0.201 COC(C)NCC(C)(C)C(=O)O 269956a_100000693527_100009879195 [0,2,0,0,0,0|2,0,0]=4 4420 B11R0.201 C[C@H](CO)NCC(C)(C)C(=O)O 269956a_100000693527_100016084084 [0,2,0,0,0,0|2,0,0]=4 4421 B11R0.202 C=C(C)CNCC(C)(C)C(=O)O 269956a_100000693527_100000748629 [0,2,0,0,0,0|1,0,1]=4 4422 B11R0.202 CC(=O)C(C)(C)OCCC(C)C 34a_100000747739_100000210312 [0,2,0,0,0,0|2,0,0]=4 4423 B11R0.202 CC(=O)C(C)(C)OCCC(C)C 7a_100000210254_100000075568 [0,2,0,0,0,0|2,0,0]=4 4424 B11R0.202 CC(=O)C(C)(C)OCCC(C)C 7a_100000747739_100000210626 [0,2,0,0,0,0|2,0,0]=4 4425 B11R0.202 CC(=O)C(C)(C)OCCC(C)O 34a_100000747739_100012276601 [0,2,0,0,0,0|2,0,0]=4 4426 B11R0.202 CC(=O)C(C)(C)OCCC(C)O 7a_100000747739_100012276601 [0,2,0,0,0,0|2,0,0]=4 4427 B11R0.202 CC(=O)C(C)(C)SCCC(C)C 62a_100000075568_100000210312 [0,2,0,0,0,0|2,0,0]=4 4428 B11R0.202 CC(=O)C(C)(C)SCCC(C)C 62a_100000210312_100000075568 [0,2,0,0,0,0|2,0,0]=4 4429 B11R0.202 CC(=O)C(C)(C)SCCC(C)O 62a_100000075568_100012276601 [0,2,0,0,0,0|2,0,0]=4 4430 B11R0.202 CC(=O)C(C)(C)SCCC(C)O 62a_100012276601_100000075568 [0,2,0,0,0,0|2,0,0]=4 4431 B11R0.202 CC(Br)CCOC(C)(C)C(=O)N 34a_100009893172_100000702505 [0,2,0,0,0,0|2,0,0]=4 4432 B11R0.202 CC(Br)COCC(C)(C)C(=O)N 34a_100012180447_200009895572 [0,2,0,0,0,0|2,0,0]=4 4433 B11R0.202 CC(C)(CNCC(F)F)C(=O)O 269956a_100000693527_100011934356 [0,2,0,0,0,0|2,0,0]=4 4434 B11R0.202 CC(C)CCNC(C)(C)C(=O)N 2230a_100000743658_100000210312 [0,2,0,0,0,0|2,0,0]=4 4435 B11R0.202 CC(C)CCNC(C)(C)C(=O)N 34a_100000743658_100000210312 [0,2,0,0,0,0|2,0,0]=4 4436 B11R0.202 CC(C)CCOC(C)(C)C(=O)N 34a_100000210254_100000702505 [0,2,0,0,0,0|2,0,0]=4 4437 B11R0.202 CC(C)CCOC(C)(C)C(=O)N 34a_100011626353_100000210312 [0,2,0,0,0,0|2,0,0]=4 4438 B11R0.202 CC(C)CCOC(C)(C)C(=O)N 7a_100000210254_100000702505 [0,2,0,0,0,0|2,0,0]=4 4439 B11R0.202 CC(C)CCOC(C)(C)C(=O)N 7a_100011626353_100000210626 [0,2,0,0,0,0|2,0,0]=4 4440 B11R0.202 CC(C)CCSC(C)(C)C(=O)N 62a_100000210312_100000702505 [0,2,0,0,0,0|2,0,0]=4 4441 B11R0.202 CC(C)CCSC(C)(C)C(=O)N 62a_100000702505_100000210312 [0,2,0,0,0,0|2,0,0]=4 4442 B11R0.202 CC(C)CNCC(C)(C)C(=O)N 2230a_100000740840_100000210760 [0,2,0,0,0,0|2,0,0]=4 4443 B11R0.202 CC(C)CNCC(C)(C)C(=O)N 270004a_100000740840_100000210432 [0,2,0,0,0,0|2,0,0]=4 4444 B11R0.202 CC(C)CNCC(C)(C)C(=O)N 34a_100000210953_200009895572 [0,2,0,0,0,0|2,0,0]=4 4445 B11R0.202 CC(C)CNCC(C)(C)C(=O)N 34a_100000740840_100000210624 [0,2,0,0,0,0|2,0,0]=4 4446 B11R0.202 CC(C)CNCC(C)(C)C(=O)O 269956a_100000693527_100000210760 [0,2,0,0,0,0|1,0,0]=3 4447 B11R0.202 CC(C)CNCC(F)(F)C(=O)O 269956a_100000734215_100000210760 [0,2,0,0,0,0|2,0,0]=4 4448 B11R0.202 CC(C)CNOC(C)(C)C(=O)O 269956a_100016989451_100000210760 [0,2,0,0,0,0|2,0,0]=4 4449 B11R0.202 CC(C)COCC(C)(C)C(=O)N 34a_100000210257_200009895572 [0,2,0,0,0,0|2,0,0]=4 4450 B11R0.202 CC(C)CSCC(C)(C)C(=O)N 62a_100000210624_200009895572 [0,2,0,0,0,0|2,0,0]=4 4451 B11R0.202 CC(C)CSCC(C)(C)C(=O)N 62a_200009895572_100000210760 [0,2,0,0,0,0|2,0,0]=4 4452 B11R0.202 CC(F)COCC(C)(C)C(=O)N 34a_100015925927_200009895572 [0,2,0,0,0,0|2,0,0]=4 4453 B11R0.202 CC(O)CCNC(C)(C)C(=O)N 2230a_100000743658_100012276601 [0,2,0,0,0,0|2,0,0]=4 4454 B11R0.202 CC(O)CCNC(C)(C)C(=O)N 2230a_200000755665_100000702505 [0,2,0,0,0,0|2,0,0]=4 4455 B11R0.202 CC(O)CCNC(C)(C)C(=O)N 34a_100000743658_100012276601 [0,2,0,0,0,0|2,0,0]=4 4456 B11R0.202 CC(O)CCOC(C)(C)C(=O)N 34a_100011626353_100012276601 [0,2,0,0,0,0|2,0,0]=4 4457 B11R0.202 CC(O)CCOC(C)(C)C(=O)N 7a_100011626353_100012276601 [0,2,0,0,0,0|2,0,0]=4 4458 B11R0.202 CC(O)CCSC(C)(C)C(=O)N 62a_100000702505_100012276601 [0,2,0,0,0,0|2,0,0]=4 4459 B11R0.202 CC(O)CCSC(C)(C)C(=O)N 62a_100012276601_100000702505 [0,2,0,0,0,0|2,0,0]=4 4460 B11R0.202 CC(O)CNCC(C)(C)C(=O)N 2230a_100000740840_100011218427 [0,2,0,0,0,0|2,0,0]=4 4461 B11R0.202 CC(O)CNCC(C)(C)C(=O)N 34a_100000210904_200009895572 [0,2,0,0,0,0|2,0,0]=4 4462 B11R0.202 CC(O)CNCC(C)(C)C(=O)N 34a_100000740840_100011218427 [0,2,0,0,0,0|2,0,0]=4 4463 B11R0.202 CC(O)CNCC(C)(C)C(=O)O 269956a_100000693527_100011218427 [0,2,0,0,0,0|1,0,0]=3 4464 B11R0.202 CC(O)CNCC(F)(F)C(=O)O 269956a_100000734215_100011218427 [0,2,0,0,0,0|2,0,0]=4 4465 B11R0.202 CC(O)CNOC(C)(C)C(=O)O 269956a_100016989451_100011218427 [0,2,0,0,0,0|2,0,0]=4 4466 B11R0.202 CC(O)CSCC(C)(C)C(=O)N 62a_100011218427_200009895572 [0,2,0,0,0,0|2,0,0]=4 4467 B11R0.202 CC(O)CSCC(C)(C)C(=O)N 62a_200009895572_100011218427 [0,2,0,0,0,0|2,0,0]=4 4468 B11R0.202 C[C@@H](Cl)COCC(C)(C)C(=O)N 34a_100016084084_200009895572 [0,2,0,0,0,0|2,0,0]=4 4469 B11R0.202 C[C@@H](N)CCOC(C)(C)C(=O)N 34a_100000706166_100000702505 [0,2,0,0,0,0|2,0,0]=4 4470 B11R0.202 C[C@@H](N)COCC(C)(C)C(=O)N 34a_100000737577_200009895572 [0,2,0,0,0,0|2,0,0]=4 4471 B11R0.202 C[C@@H](O)CNCC(C)(C)C(=O)N 2230a_100000740840_100009817552 [0,2,0,0,0,0|2,0,0]=4 4472 B11R0.202 C[C@@H](O)CNCC(C)(C)C(=O)N 34a_100000740840_100009817552 [0,2,0,0,0,0|2,0,0]=4 4473 B11R0.202 C[C@@H](O)CNCC(C)(C)C(=O)O 269956a_100000693527_100009817552 [0,2,0,0,0,0|1,0,0]=3 4474 B11R0.202 C[C@@H](O)CNCC(F)(F)C(=O)O 269956a_100000734215_100009817552 [0,2,0,0,0,0|2,0,0]=4 4475 B11R0.202 C[C@@H](O)CNOC(C)(C)C(=O)O 269956a_100016989451_100009817552 [0,2,0,0,0,0|2,0,0]=4 4476 B11R0.202 C[C@@H](O)CSCC(C)(C)C(=O)N 62a_100009817552_200009895572 [0,2,0,0,0,0|2,0,0]=4 4477 B11R0.202 C[C@@H](O)CSCC(C)(C)C(=O)N 62a_200009895572_100009817552 [0,2,0,0,0,0|2,0,0]=4 4478 B11R0.326 CCCCNC(C)(C)C(=O)NC 2230a_100000102301_100000732697 [0,2,0,0,0,0|2,0,0]=4 4479 B11R0.326 CCCCNC(C)(C)C(=O)OC 2230a_100000102301_100000689032 [0,2,0,0,0,0|1,0,0]=3 4480 B11R0.326 CCCCNC(C)(F)C(=O)OC 2230a_100000102301_200009867631 [0,2,0,0,0,0|1,0,0]=3 4481 B11R0.326 CCCCNC(F)(F)C(=O)OC 7a_106832991798_100000211177 [0,2,0,0,0,0|2,0,0]=4 4482 B11R0.326 CCCCOC(C)(C)C(=O)NC 34a_100000210227_100000732697 [0,2,0,0,0,0|2,0,0]=4 4483 B11R0.326 CCCCOC(C)(C)C(=O)NN 34a_100000061348_100000210210 [0,2,0,0,0,0|2,0,0]=4 4484 B11R0.326 CCCCOC(C)(C)C(=O)OC 34a_100011217581_100000210210 [0,2,0,0,0,0|1,0,0]=3 4485 B11R0.326 CCCCOC(C)(C)C(=O)OC 7a_100011217581_100000210211 [0,2,0,0,0,0|1,0,0]=3 4486 B11R0.326 CCCCOC(C)(F)C(=O)OC 34a_100000210227_200009867631 [0,2,0,0,0,0|1,0,0]=3 4487 B11R0.326 CCCCOC(F)(F)C(=O)OC 34a_100000210227_100000211177 [0,2,0,0,0,0|2,0,0]=4 4488 B11R0.326 CCCCOC(F)(F)C(=O)OC 7a_100000210227_100000211177 [0,2,0,0,0,0|2,0,0]=4 4489 B11R0.326 CCCCSC(C)(C)C(=O)NC 62a_100000210211_100000732697 [0,2,0,0,0,0|2,0,0]=4 4490 B11R0.326 CCCCSC(C)(C)C(=O)NC 62a_100000732697_100000210210 [0,2,0,0,0,0|2,0,0]=4 4491 B11R0.326 CCCCSC(C)(C)C(=O)OC 62a_100000210211_100000689032 [0,2,0,0,0,0|1,0,0]=3 4492 B11R0.326 CCCCSC(C)(C)C(=O)OC 62a_100000689032_100000210210 [0,2,0,0,0,0|1,0,0]=3 4493 B11R0.326 CCCCSC(C)(F)C(=O)OC 62a_100000210211_200009867631 [0,2,0,0,0,0|1,0,0]=3 4494 B11R0.326 CCCCSC(C)(F)C(=O)OC 62a_200009867631_100000210210 [0,2,0,0,0,0|1,0,0]=3 4495 B11R0.326 CCCCSC(F)(F)C(=O)OC 62a_100000210211_100000211177 [0,2,0,0,0,0|2,0,0]=4 4496 B11R0.326 CCCCSC(F)(F)C(=O)OC 62a_100000211177_100000210210 [0,2,0,0,0,0|2,0,0]=4 4497 B11R0.326 CCCOCC(C)(C)C(=O)NC 34a_100000210258_100000702813 [0,2,0,0,0,0|2,0,0]=4 4498 B11R0.326 CCCOCC(C)(C)C(=O)OC 34a_100000709632_100000210303 [0,2,0,0,0,0|1,0,0]=3 4499 B11R0.326 CCCOCC(C)(C)C(=O)OC 7a_100000709632_100000210303 [0,2,0,0,0,0|1,0,0]=3 4500 B11R0.326 CCCOCC(F)(F)C(=O)OC 34a_100000210258_100010295740 [0,2,0,0,0,0|2,0,0]=4 4501 B11R0.326 CCCSCC(C)(C)C(=O)NC 62a_100000210303_100000702813 [0,2,0,0,0,0|2,0,0]=4 4502 B11R0.326 CCCSCC(C)(C)C(=O)NC 62a_100000702813_100000210303 [0,2,0,0,0,0|2,0,0]=4 4503 B11R0.326 CCCSCC(C)(C)C(=O)OC 62a_100000210303_100000684552 [0,2,0,0,0,0|1,0,0]=3 4504 B11R0.326 CCCSCC(C)(C)C(=O)OC 62a_100000684552_100000210303 [0,2,0,0,0,0|1,0,0]=3 4505 B11R0.326 CCCSCC(F)(F)C(=O)OC 62a_100000210303_100010295740 [0,2,0,0,0,0|2,0,0]=4 4506 B11R0.326 CCCSCC(F)(F)C(=O)OC 62a_100010295740_100000210303 [0,2,0,0,0,0|2,0,0]=4 4507 B11R0.326 CCOCSC(C)(C)C(=O)OC 62a_100000689032_100000739092 [0,2,0,0,0,0|2,0,0]=4 4508 B11R0.326 CCOCSC(C)(C)C(=O)OC 62a_100000739092_100000689032 [0,2,0,0,0,0|2,0,0]=4 4509 B11R0.326 CCOCSC(C)(F)C(=O)OC 62a_100000739092_200009867631 [0,2,0,0,0,0|2,0,0]=4 4510 B11R0.326 CCOCSC(C)(F)C(=O)OC 62a_200009867631_100000739092 [0,2,0,0,0,0|2,0,0]=4 4511 B11R0.326 CNCCCC(C)(C)C(=O)OC 2230a_106832991635_100010114820 [0,2,0,0,0,0|1,0,0]=3 4512 B11R0.326 CNCCCC(C)(C)C(=O)OC 34a_100102657272_100010114820 [0,2,0,0,0,0|1,0,0]=3 4513 B11R0.326 CNCCCC(C)(C)C(=O)OC 7a_106832991635_100010114820 [0,2,0,0,0,0|1,0,0]=3 4514 B11R0.326 COC(=O)C(C)(C)CCCSC 62a_100010114820_200000210301 [0,2,0,0,0,0|1,0,0]=3 4515 B11R0.326 COC(=O)C(C)(C)CCCSC 62a_200000210301_100010114820 [0,2,0,0,0,0|1,0,0]=3 4516 B11R0.326 COC(=O)C(C)(C)CCCS[13CH3] 62a_100010114820_200025704644 [0,2,0,0,0,0|1,0,0]=3 4517 B11R0.326 COC(=O)C(C)(C)CCCS[13CH3] 62a_200025704644_100010114820 [0,2,0,0,0,0|1,0,0]=3 4518 B11R0.326 COC(=O)C(C)(C)COCCF 34a_100000709632_100011217306 [0,2,0,0,0,0|2,0,0]=4 4519 B11R0.326 COC(=O)C(C)(C)COCCF 7a_100000709632_100011217306 [0,2,0,0,0,0|2,0,0]=4 4520 B11R0.326 COC(=O)C(C)(C)COCCO 34a_100000709632_100000211926 [0,2,0,0,0,0|2,0,0]=4 4521 B11R0.326 COC(=O)C(C)(C)COCCO 7a_100000709632_100000211926 [0,2,0,0,0,0|2,0,0]=4 4522 B11R0.326 COC(=O)C(C)(C)COCSC 34a_100000709632_100011218213 [0,2,0,0,0,0|2,0,0]=4 4523 B11R0.326 COC(=O)C(C)(C)CSCCF 62a_100000684552_100011217306 [0,2,0,0,0,0|2,0,0]=4 4524 B11R0.326 COC(=O)C(C)(C)CSCCF 62a_100011217306_100000684552 [0,2,0,0,0,0|2,0,0]=4 4525 B11R0.326 COC(=O)C(C)(C)CSCCO 62a_100000211926_100000684552 [0,2,0,0,0,0|2,0,0]=4 4526 B11R0.326 COC(=O)C(C)(C)CSCCO 62a_100000684552_100000211926 [0,2,0,0,0,0|2,0,0]=4 4527 B11R0.326 COC(=O)C(C)(C)CSCSC 62a_100000684552_100011218213 [0,2,0,0,0,0|2,0,0]=4 4528 B11R0.326 COC(=O)C(C)(C)CSCSC 62a_100011218213_100000684552 [0,2,0,0,0,0|2,0,0]=4 4529 B11R0.326 COC(=O)C(C)(C)NCCCF 2230a_100015189416_100000689032 [0,2,0,0,0,0|2,0,0]=4 4530 B11R0.326 COC(=O)C(C)(C)NCCSC 2230a_100020590264_100000689032 [0,2,0,0,0,0|2,0,0]=4 4531 B11R0.326 COC(=O)C(C)(C)OCCCF 34a_100011217581_100011934791 [0,2,0,0,0,0|2,0,0]=4 4532 B11R0.326 COC(=O)C(C)(C)OCCCF 7a_100011217581_100011934791 [0,2,0,0,0,0|2,0,0]=4 4533 B11R0.326 COC(=O)C(C)(C)OCCCO 34a_100011217581_100000230001 [0,2,0,0,0,0|2,0,0]=4 4534 B11R0.326 COC(=O)C(C)(C)OCCCO 7a_100011217581_100011215043 [0,2,0,0,0,0|2,0,0]=4 4535 B11R0.326 COC(=O)C(C)(C)OCCSC 34a_100011217581_100000212216 [0,2,0,0,0,0|2,0,0]=4 4536 B11R0.326 COC(=O)C(C)(C)OCCSC 7a_100011217581_100000212216 [0,2,0,0,0,0|2,0,0]=4 4537 B11R0.326 COC(=O)C(C)(C)SCCCF 62a_100000689032_100011934791 [0,2,0,0,0,0|2,0,0]=4 4538 B11R0.326 COC(=O)C(C)(C)SCCCF 62a_100011934791_100000689032 [0,2,0,0,0,0|2,0,0]=4 4539 B11R0.326 COC(=O)C(C)(C)SCCCO 62a_100000689032_100011215043 [0,2,0,0,0,0|2,0,0]=4 4540 B11R0.326 COC(=O)C(C)(C)SCCCO 62a_100011215043_100000689032 [0,2,0,0,0,0|2,0,0]=4 4541 B11R0.326 COC(=O)C(C)(C)SCCSC 62a_100000212216_100000689032 [0,2,0,0,0,0|2,0,0]=4 4542 B11R0.326 COC(=O)C(C)(C)SCCSC 62a_100000689032_100000751147 [0,2,0,0,0,0|2,0,0]=4 4543 B11R0.326 COC(=O)C(C)(F)NCCCF 2230a_100015189416_200009867631 [0,2,0,0,0,0|2,0,0]=4 4544 B11R0.326 COC(=O)C(C)(F)NCCCF 34a_100015189416_200009867631 [0,2,0,0,0,0|2,0,0]=4 4545 B11R0.326 COC(=O)C(C)(F)NCCSC 2230a_100020590264_200009867631 [0,2,0,0,0,0|2,0,0]=4 4546 B11R0.326 COC(=O)C(C)(F)OCCCBr 34a_100011217188_200009867631 [0,2,0,0,0,0|2,0,0]=4 4547 B11R0.326 COC(=O)C(C)(F)OCCCCl 34a_100000230001_200009867631 [0,2,0,0,0,0|2,0,0]=4 4548 B11R0.326 COC(=O)C(C)(F)OCCCF 34a_100000759539_200009867631 [0,2,0,0,0,0|2,0,0]=4 4549 B11R0.326 COC(=O)C(C)(F)OCCCN 34a_100000182051_200009867631 [0,2,0,0,0,0|2,0,0]=4 4550 B11R0.326 COC(=O)C(C)(F)OCCSC 34a_100000230434_200009867631 [0,2,0,0,0,0|2,0,0]=4 4551 B11R0.326 COC(=O)C(C)(F)SCCCF 62a_100011934791_200009867631 [0,2,0,0,0,0|2,0,0]=4 4552 B11R0.326 COC(=O)C(C)(F)SCCCF 62a_200009867631_100011934791 [0,2,0,0,0,0|2,0,0]=4 4553 B11R0.326 COC(=O)C(C)(F)SCCCO 62a_100011215043_200009867631 [0,2,0,0,0,0|2,0,0]=4 4554 B11R0.326 COC(=O)C(C)(F)SCCCO 62a_200009867631_100011215043 [0,2,0,0,0,0|2,0,0]=4 4555 B11R0.326 COC(=O)C(C)(F)SCCSC 62a_100000212216_200009867631 [0,2,0,0,0,0|2,0,0]=4 4556 B11R0.326 COC(=O)C(C)(F)SCCSC 62a_200009867631_100000751147 [0,2,0,0,0,0|2,0,0]=4 4557 B11R0.326 COCCCC(C)(C)C(=O)OC 34a_100138415774_100010114820 [0,2,0,0,0,0|1,0,0]=3 4558 B11R0.326 COCCNC(C)(C)C(=O)OC 2230a_100000209980_100000689032 [0,2,0,0,0,0|2,0,0]=4 4559 B11R0.326 COCCNC(C)(F)C(=O)OC 2230a_100000209980_200009867631 [0,2,0,0,0,0|2,0,0]=4 4560 B11R0.326 COCCOC(C)(C)C(=O)OC 34a_100011217581_100011201679 [0,2,0,0,0,0|2,0,0]=4 4561 B11R0.326 COCCOC(C)(C)C(=O)OC 7a_100011217581_100000233755 [0,2,0,0,0,0|2,0,0]=4 4562 B11R0.326 COCCOC(C)(F)C(=O)OC 34a_100000210237_200009867631 [0,2,0,0,0,0|2,0,0]=4 4563 B11R0.326 COCCSC(C)(C)C(=O)OC 62a_100000233755_100000689032 [0,2,0,0,0,0|2,0,0]=4 4564 B11R0.326 COCCSC(C)(C)C(=O)OC 62a_100000689032_100000233755 [0,2,0,0,0,0|2,0,0]=4 4565 B11R0.326 COCCSC(C)(F)C(=O)OC 62a_100000233755_200009867631 [0,2,0,0,0,0|2,0,0]=4 4566 B11R0.326 COCCSC(C)(F)C(=O)OC 62a_200009867631_100000233755 [0,2,0,0,0,0|2,0,0]=4 4567 B11R0.326 COCSCC(C)(C)C(=O)OC 62a_100000684552_100000766300 [0,2,0,0,0,0|2,0,0]=4 4568 B11R0.326 COCSCC(C)(C)C(=O)OC 62a_100000766300_100000684552 [0,2,0,0,0,0|2,0,0]=4 4569 B11R0.329 CCC(C)(NCCCF)C(=O)O 269956a_100025756313_100011934791 [0,2,0,0,0,0|2,0,0]=4 4570 B11R0.329 CCC(C)(NCCCO)C(=O)O 269956a_100025756313_100011215043 [0,2,0,0,0,0|2,0,0]=4 4571 B11R0.329 CCC(C)(NCCOC)C(=O)O 269956a_100025756313_100000233755 [0,2,0,0,0,0|2,0,0]=4 4572 B11R0.329 CCC(C)(NCCSC)C(=O)O 269956a_100025756313_100000212216 [0,2,0,0,0,0|2,0,0]=4 4573 B11R0.329 CCCCNC(C)(CC)C(=O)O 269956a_100025756313_100000210211 [0,2,0,0,0,0|1,0,0]=3 4574 B11R0.329 CCOCNC(C)(CC)C(=O)O 269956a_100025756313_100000739092 [0,2,0,0,0,0|2,0,0]=4 4575 B11R0.29 C=C(C)C(C)NCCCC(C)C 269862a_200000737386_100011216138 [0,2,0,0,0,0|2,0,0]=4 4576 B11R0.29 C=C(C)CCNCC(C)C(=O)O 269956a_100000749485_100000730704 [0,2,0,0,0,0|0,0,1]=3 4577 B11R0.29 C=C(C)CCNCC(F)C(=O)O 269956a_100000084737_100000730704 [0,2,0,0,0,0|1,0,1]=4 4578 B11R0.29 C=C(C)CCOCC(C)C(=O)C 34a_100000032740_100000730704 [0,2,0,0,0,0|1,0,1]=4 4579 B11R0.29 C=C(C)CCOCC(C)C(=O)C 7a_100000032740_100000730704 [0,2,0,0,0,0|1,0,1]=4 4580 B11R0.29 CC(=CCCN[C@@H](C)C(=O)O)C 269956a_100000743915_100011217483 [0,2,0,0,0,0|0,0,2]=4 4581 B11R0.29 CC(=CCNCC(C)C(=O)O)C 269956a_100000749485_100000761012 [0,2,0,0,0,0|0,0,2]=4 4582 B11R0.29 CC(=O)C(C)COCCC(C)C 34a_100000032740_100000210312 [0,2,0,0,0,0|1,0,0]=3 4583 B11R0.29 CC(=O)C(C)COCCC(C)C 7a_100000032740_100000210626 [0,2,0,0,0,0|1,0,0]=3 4584 B11R0.29 CC(=O)C(C)COCCC(C)O 34a_100000032740_100012276601 [0,2,0,0,0,0|1,0,0]=3 4585 B11R0.29 CC(=O)C(C)COCCC(C)O 7a_100000032740_100012276601 [0,2,0,0,0,0|1,0,0]=3 4586 B11R0.29 CC(=O)C(C)COCCN(C)C 7a_100000032740_100000755713 [0,2,0,0,0,0|2,0,0]=4 4587 B11R0.29 CC(=O)C(C)COCOC(C)C 34a_100000032740_100000709892 [0,2,0,0,0,0|2,0,0]=4 4588 B11R0.29 CC(=O)C(C)NCCCC(C)C 2230a_200000737386_100009814033 [0,2,0,0,0,0|1,0,0]=3 4589 B11R0.29 CC(=O)C(C)NCCCS(=O)C 2230a_200000753449_100009814033 [0,2,0,0,0,0|2,0,0]=4 4590 B11R0.29 CC(=O)C(C)NCCOC(C)C 2230a_100000701111_100009814033 [0,2,0,0,0,0|2,0,0]=4 4591 B11R0.29 CC(=O)C(C)NCCSC(C)C 2230a_100000731138_100009814033 [0,2,0,0,0,0|2,0,0]=4 4592 B11R0.29 CC(=O)C(C)OCCCC(C)C 34a_100000212229_100011214892 [0,2,0,0,0,0|1,0,0]=3 4593 B11R0.29 CC(=O)C(C)OCCCC(C)C 7a_100000210774_100000179758 [0,2,0,0,0,0|1,0,0]=3 4594 B11R0.29 CC(=O)C(C)OCCCC(C)O 34a_100000212229_200000718107 [0,2,0,0,0,0|1,0,0]=3 4595 B11R0.29 CC(=O)C(C)OCCOC(C)C 34a_100000212229_100000211751 [0,2,0,0,0,0|2,0,0]=4 4596 B11R0.29 CC(=O)C(C)OCCOC(C)C 7a_100000211219_100000179758 [0,2,0,0,0,0|2,0,0]=4 4597 B11R0.29 CC(=O)C(C)OCCSC(C)C 34a_100000212229_100000730970 [0,2,0,0,0,0|2,0,0]=4 4598 B11R0.29 CC(=O)C(C)OCCSC(C)C 7a_200011212901_100000179758 [0,2,0,0,0,0|2,0,0]=4 4599 B11R0.29 CC(=O)C(C)SCCCC(C)C 62a_100009814033_100011214892 [0,2,0,0,0,0|1,0,0]=3 4600 B11R0.29 CC(=O)C(C)SCCCC(C)C 62a_100011214892_100009814033 [0,2,0,0,0,0|1,0,0]=3 4601 B11R0.29 CC(=O)C(C)SCCCC(C)O 62a_100009814033_200000718107 [0,2,0,0,0,0|1,0,0]=3 4602 B11R0.29 CC(=O)C(C)SCCCC(C)O 62a_200000718107_100009814033 [0,2,0,0,0,0|1,0,0]=3 4603 B11R0.29 CC(=O)C(C)SCCCN(C)C 62a_100009814033_100000757444 [0,2,0,0,0,0|2,0,0]=4 4604 B11R0.29 CC(=O)C(C)SCCOC(C)C 62a_100000211751_100009814033 [0,2,0,0,0,0|2,0,0]=4 4605 B11R0.29 CC(=O)C(C)SCCOC(C)C 62a_100009814033_100000211751 [0,2,0,0,0,0|2,0,0]=4 4606 B11R0.29 CC(=O)C(C)SCCSC(C)C 62a_100000730970_100009814033 [0,2,0,0,0,0|2,0,0]=4 4607 B11R0.29 CC(=O)C(C)SCCSC(C)C 62a_100009814033_100000730970 [0,2,0,0,0,0|2,0,0]=4 4608 B11R0.29 CC(=O)CCCN[C@@H](C)C(=O)O 269956a_100000743915_100011215641 [0,2,0,0,0,0|0,0,1]=3 4609 B11R0.29 CC(=O)CCCN[C@H](C)C(=O)N 34a_100000119354_100000685027 [0,2,0,0,0,0|1,0,1]=4 4610 B11R0.29 CC(=O)CCCOC(C)C(=O)C 34a_100000212229_100000685027 [0,2,0,0,0,0|1,0,1]=4 4611 B11R0.29 CC(=O)CCCOC(C)C(=O)C 7a_100000759063_100000179758 [0,2,0,0,0,0|1,0,1]=4 4612 B11R0.29 CC(=O)CCCOC(C)C(=O)N 34a_100000759063_100000702099 [0,2,0,0,0,0|1,0,1]=4 4613 B11R0.29 CC(=O)CCCOC(C)C(=O)N 7a_100000759063_100000702099 [0,2,0,0,0,0|1,0,1]=4 4614 B11R0.29 CC(=O)CCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100011215641 [0,2,0,0,0,0|0,0,2]=4 4615 B11R0.29 CC(=O)CCCO[C@H](C)C(=O)N 34a_100000731257_100000685027 [0,2,0,0,0,0|1,0,1]=4 4616 B11R0.29 CC(=O)CCCO[C@H](C)C(=O)N 7a_100000731257_100011215641 [0,2,0,0,0,0|1,0,1]=4 4617 B11R0.29 CC(=O)CCCSC(C)C(=O)C 62a_100009814033_100011215641 [0,2,0,0,0,0|1,0,1]=4 4618 B11R0.29 CC(=O)CCCSC(C)C(=O)C 62a_100011215641_100009814033 [0,2,0,0,0,0|1,0,1]=4 4619 B11R0.29 CC(=O)CCCSC(C)C(=O)N 62a_100000702099_100011215641 [0,2,0,0,0,0|1,0,1]=4 4620 B11R0.29 CC(=O)CCCSC(C)C(=O)N 62a_100011215641_100000702099 [0,2,0,0,0,0|1,0,1]=4 4621 B11R0.29 CC(=O)CCNCC(C)C(=O)O 269956a_100000749485_100000053229 [0,2,0,0,0,0|0,0,1]=3 4622 B11R0.29 CC(=O)CCNCC(F)C(=O)O 269956a_100000084737_100000053229 [0,2,0,0,0,0|1,0,1]=4 4623 B11R0.29 CC(=O)CCOCC(C)C(=O)C 7a_100000032740_100000053229 [0,2,0,0,0,0|1,0,1]=4 4624 B11R0.29 CC(=O)NCCN[C@@H](C)C(=O)O 269956a_100000743915_100000189650 [0,2,0,0,0,0|1,0,1]=4 4625 B11R0.29 CC(=O)OCCN[C@@H](C)C(=O)O 269956a_100000743915_100009814007 [0,2,0,0,0,0|1,0,1]=4 4626 B11R0.29 CC(=O)OCNCC(C)C(=O)O 269956a_100000749485_100000076356 [0,2,0,0,0,0|1,0,1]=4 4627 B11R0.29 CC(C)CCCNC(C)C(=O)N 2230a_200000737386_100000702099 [0,2,0,0,0,0|1,0,0]=3 4628 B11R0.29 CC(C)CCCNC(C)C(=O)N 34a_200000737386_100000702099 [0,2,0,0,0,0|1,0,0]=3 4629 B11R0.29 CC(C)CCCNC(F)C(=O)N 2230a_200000737386_100009813875 [0,2,0,0,0,0|2,0,0]=4 4630 B11R0.29 CC(C)CCCNC(F)C(=O)N 34a_200000737386_100009813875 [0,2,0,0,0,0|2,0,0]=4 4631 B11R0.29 CC(C)CCCNC(F)C(=O)[O-] 34a_200000737386_100020610796 [0,2,0,0,0,0|1,0,1]=4 4632 B11R0.29 CC(C)CCCN[C@@H](C)C(=O)O 269956a_100000743915_100011214892 [0,2,0,0,0,0|0,0,0]=2 4633 B11R0.29 CC(C)CCCN[C@H](C)C(=O)N 2230a_100000119354_100011214892 [0,2,0,0,0,0|1,0,0]=3 4634 B11R0.29 CC(C)CCCN[C@H](C)C(=O)N 34a_100000119354_100011214892 [0,2,0,0,0,0|1,0,0]=3 4635 B11R0.29 CC(C)CCCOC(C)C(=O)N 34a_100000210774_100000702099 [0,2,0,0,0,0|1,0,0]=3 4636 B11R0.29 CC(C)CCCOC(C)C(=O)N 7a_100000210774_100000702099 [0,2,0,0,0,0|1,0,0]=3 4637 B11R0.29 CC(C)CCCOC(F)C(=O)N 34a_100000210774_100009813875 [0,2,0,0,0,0|2,0,0]=4 4638 B11R0.29 CC(C)CCCOC(F)C(=O)N 7a_100000210774_100009813875 [0,2,0,0,0,0|2,0,0]=4 4639 B11R0.29 CC(C)CCCOC(F)C(=O)[O-] 34a_100000210774_100020610796 [0,2,0,0,0,0|1,0,1]=4 4640 B11R0.29 CC(C)CCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100011214892 [0,2,0,0,0,0|0,0,1]=3 4641 B11R0.29 CC(C)CCCO[C@H](C)C(=O)N 34a_100000731257_100011214892 [0,2,0,0,0,0|1,0,0]=3 4642 B11R0.29 CC(C)CCCO[C@H](C)C(=O)N 7a_100000731257_100011214892 [0,2,0,0,0,0|1,0,0]=3 4643 B11R0.29 CC(C)CCCSC(C)C(=O)N 62a_100000702099_100011214892 [0,2,0,0,0,0|1,0,0]=3 4644 B11R0.29 CC(C)CCCSC(C)C(=O)N 62a_100011214892_100000702099 [0,2,0,0,0,0|1,0,0]=3 4645 B11R0.29 CC(C)CCCSC(F)C(=O)N 62a_100009813875_100011214892 [0,2,0,0,0,0|2,0,0]=4 4646 B11R0.29 CC(C)CCCSC(F)C(=O)N 62a_100011214892_100009813875 [0,2,0,0,0,0|2,0,0]=4 4647 B11R0.29 CC(C)CCCSC(F)C(=O)[O-] 62a_100011214892_100020610796 [0,2,0,0,0,0|1,0,1]=4 4648 B11R0.29 CC(C)CCCSC(F)C(=O)[O-] 62a_100020610796_100011214892 [0,2,0,0,0,0|1,0,1]=4 4649 B11R0.29 CC(C)CCNCC(C)C(=O)O 269956a_100000749485_100000210312 [0,2,0,0,0,0|0,0,0]=2 4650 B11R0.29 CC(C)CCNCC(F)C(=O)O 269956a_100000084737_100000210312 [0,2,0,0,0,0|1,0,0]=3 4651 B11R0.29 CC(C)CCOCC(C)[N+](=O)[O-] 34a_100000039676_100000210312 [0,2,0,0,0,0|1,0,1]=4 4652 B11R0.29 CC(C)CCOCC(C)[N+](=O)[O-] 7a_100000039676_100000210626 [0,2,0,0,0,0|1,0,1]=4 4653 B11R0.29 CC(C)CCOC[C@H](N)C(=O)N 34a_100000729942_100000210312 [0,2,0,0,0,0|2,0,0]=4 4654 B11R0.29 CC(C)NCCOC(C)C(=O)N 34a_100000224655_100000702099 [0,2,0,0,0,0|2,0,0]=4 4655 B11R0.29 CC(C)OCCNC(C)C(=O)N 2230a_100000701111_100000702099 [0,2,0,0,0,0|2,0,0]=4 4656 B11R0.29 CC(C)OCCNC(C)C(=O)N 34a_100000701111_100000702099 [0,2,0,0,0,0|2,0,0]=4 4657 B11R0.29 CC(C)OCCN[C@@H](C)C(=O)O 269956a_100000743915_100000211751 [0,2,0,0,0,0|1,0,0]=3 4658 B11R0.29 CC(C)OCCN[C@H](C)C(=O)N 2230a_100000119354_100000211751 [0,2,0,0,0,0|2,0,0]=4 4659 B11R0.29 CC(C)OCCN[C@H](C)C(=O)N 34a_100000119354_100000211751 [0,2,0,0,0,0|2,0,0]=4 4660 B11R0.29 CC(C)OCCOC(C)C(=O)N 34a_100000211219_100000702099 [0,2,0,0,0,0|2,0,0]=4 4661 B11R0.29 CC(C)OCCOC(C)C(=O)N 7a_100000211219_100000702099 [0,2,0,0,0,0|2,0,0]=4 4662 B11R0.29 CC(C)OCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000211751 [0,2,0,0,0,0|1,0,1]=4 4663 B11R0.29 CC(C)OCCO[C@H](C)C(=O)N 34a_100000731257_100000211751 [0,2,0,0,0,0|2,0,0]=4 4664 B11R0.29 CC(C)OCCO[C@H](C)C(=O)N 7a_100000731257_100000211751 [0,2,0,0,0,0|2,0,0]=4 4665 B11R0.29 CC(C)OCCSC(C)C(=O)N 62a_100000211751_100000702099 [0,2,0,0,0,0|2,0,0]=4 4666 B11R0.29 CC(C)OCCSC(C)C(=O)N 62a_100000702099_100000211751 [0,2,0,0,0,0|2,0,0]=4 4667 B11R0.29 CC(C)OCNCC(C)C(=O)O 269956a_100000749485_100000709892 [0,2,0,0,0,0|1,0,0]=3 4668 B11R0.29 CC(C)OCNCC(F)C(=O)O 269956a_100000084737_100000709892 [0,2,0,0,0,0|2,0,0]=4 4669 B11R0.29 CC(C)SCCNC(C)C(=O)N 2230a_100000731138_100000702099 [0,2,0,0,0,0|2,0,0]=4 4670 B11R0.29 CC(C)SCCNC(C)C(=O)N 34a_100000731138_100000702099 [0,2,0,0,0,0|2,0,0]=4 4671 B11R0.29 CC(C)SCCN[C@@H](C)C(=O)O 269956a_100000743915_100000730970 [0,2,0,0,0,0|1,0,0]=3 4672 B11R0.29 CC(C)SCCN[C@H](C)C(=O)N 2230a_100000119354_100000730970 [0,2,0,0,0,0|2,0,0]=4 4673 B11R0.29 CC(C)SCCN[C@H](C)C(=O)N 34a_100000119354_100000730970 [0,2,0,0,0,0|2,0,0]=4 4674 B11R0.29 CC(C)SCCOC(C)C(=O)N 34a_200011212901_100000702099 [0,2,0,0,0,0|2,0,0]=4 4675 B11R0.29 CC(C)SCCOC(C)C(=O)N 7a_200011212901_100000702099 [0,2,0,0,0,0|2,0,0]=4 4676 B11R0.29 CC(C)SCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000730970 [0,2,0,0,0,0|1,0,1]=4 4677 B11R0.29 CC(C)SCCO[C@H](C)C(=O)N 34a_100000731257_100000730970 [0,2,0,0,0,0|2,0,0]=4 4678 B11R0.29 CC(C)SCCO[C@H](C)C(=O)N 7a_100000731257_100000730970 [0,2,0,0,0,0|2,0,0]=4 4679 B11R0.29 CC(C)SCCSC(C)C(=O)N 62a_100000702099_100000730970 [0,2,0,0,0,0|2,0,0]=4 4680 B11R0.29 CC(C)SCCSC(C)C(=O)N 62a_100000730970_100000702099 [0,2,0,0,0,0|2,0,0]=4 4681 B11R0.29 CC(CNCCC(=O)N)C(=O)O 269956a_100000749485_100000744528 [0,2,0,0,0,0|1,0,1]=4 4682 B11R0.29 CC(CNCCN(C)C)C(=O)O 269956a_100000749485_100000755713 [0,2,0,0,0,0|1,0,0]=3 4683 B11R0.29 CC(NCCCS(=O)C)C(=O)N 2230a_200000753449_100000702099 [0,2,0,0,0,0|2,0,0]=4 4684 B11R0.29 CC(O)CCCN[C@@H](C)C(=O)O 269956a_100000743915_200000718107 [0,2,0,0,0,0|0,0,0]=2 4685 B11R0.29 CC(O)CCCN[C@H](C)C(=O)N 2230a_100000119354_200000718107 [0,2,0,0,0,0|1,0,0]=3 4686 B11R0.29 CC(O)CCCN[C@H](C)C(=O)N 34a_100000119354_200000718107 [0,2,0,0,0,0|1,0,0]=3 4687 B11R0.29 CC(O)CCCO[C@@H](C)C(=O)[O-] 7a_217856618621_200000718107 [0,2,0,0,0,0|0,0,1]=3 4688 B11R0.29 CC(O)CCCO[C@H](C)C(=O)N 34a_100000731257_200000718107 [0,2,0,0,0,0|1,0,0]=3 4689 B11R0.29 CC(O)CCCO[C@H](C)C(=O)N 7a_100000731257_200000718107 [0,2,0,0,0,0|1,0,0]=3 4690 B11R0.29 CC(O)CCCSC(C)C(=O)N 62a_100000702099_200000718107 [0,2,0,0,0,0|1,0,0]=3 4691 B11R0.29 CC(O)CCCSC(C)C(=O)N 62a_200000718107_100000702099 [0,2,0,0,0,0|1,0,0]=3 4692 B11R0.29 CC(O)CCCSC(F)C(=O)N 62a_100009813875_200000718107 [0,2,0,0,0,0|2,0,0]=4 4693 B11R0.29 CC(O)CCCSC(F)C(=O)N 62a_200000718107_100009813875 [0,2,0,0,0,0|2,0,0]=4 4694 B11R0.29 CC(O)CCCSC(F)C(=O)[O-] 62a_100020610796_200000718107 [0,2,0,0,0,0|1,0,1]=4 4695 B11R0.29 CC(O)CCCSC(F)C(=O)[O-] 62a_200000718107_100020610796 [0,2,0,0,0,0|1,0,1]=4 4696 B11R0.29 CC(O)CCNCC(C)C(=O)O 269956a_100000749485_100012276601 [0,2,0,0,0,0|0,0,0]=2 4697 B11R0.29 CC(O)CCNCC(F)C(=O)O 269956a_100000084737_100012276601 [0,2,0,0,0,0|1,0,0]=3 4698 B11R0.29 CC(O)CCOCC(C)[N+](=O)[O-] 34a_100000039676_100012276601 [0,2,0,0,0,0|1,0,1]=4 4699 B11R0.29 CC(O)CCOCC(C)[N+](=O)[O-] 7a_100000039676_100012276601 [0,2,0,0,0,0|1,0,1]=4 4700 B11R0.29 CC(O)CCOC[C@H](N)C(=O)N 34a_100000729942_100012276601 [0,2,0,0,0,0|2,0,0]=4 4701 B11R0.29 CC(SCCCN(C)C)C(=O)N 62a_100000702099_100000757444 [0,2,0,0,0,0|2,0,0]=4 4702 B11R0.29 CN(C)CCNCC(F)C(=O)O 269956a_100000084737_100000755713 [0,2,0,0,0,0|2,0,0]=4 4703 B11R0.29 C[C@@H](OCCCN(C)C)C(=O)N 7a_100000731257_100000757444 [0,2,0,0,0,0|2,0,0]=4 4704 B11R0.29 C[C@H](NCCCC(=O)N)C(=O)O 269956a_100000743915_100102525003 [0,2,0,0,0,0|1,0,1]=4 4705 B11R0.29 C[C@H](NCCCN(C)C)C(=O)O 269956a_100000743915_100000757444 [0,2,0,0,0,0|1,0,0]=3 4706 B11R0.29 C[C@H](OCCCN(C)C)C(=O)[O-] 7a_217856618621_100000757444 [0,2,0,0,0,0|1,0,1]=4 4707 B11R0.42 C#CCCCCNC(C)C(=O)C 2230a_100000706060_100009814033 [0,2,0,0,0,0|1,0,1]=4 4708 B11R0.42 C#CCCCCNC(C)C(=O)N 2230a_100000706060_100000702099 [0,2,0,0,0,0|1,0,1]=4 4709 B11R0.42 C#CCCCCNC(C)C(=O)N 34a_100000706060_100000702099 [0,2,0,0,0,0|1,0,1]=4 4710 B11R0.42 C#CCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100010269958 [0,2,0,0,0,0|0,0,1]=3 4711 B11R0.42 C#CCCCCN[C@H](C)C(=O)N 2230a_100000119354_100010269958 [0,2,0,0,0,0|1,0,1]=4 4712 B11R0.42 C#CCCCCN[C@H](C)C(=O)N 34a_100000119354_100010269958 [0,2,0,0,0,0|1,0,1]=4 4713 B11R0.42 C#CCCCCOC(C)C(=O)C 34a_100000212229_100010269958 [0,2,0,0,0,0|1,0,1]=4 4714 B11R0.42 C#CCCCCOC(C)C(=O)C 7a_100000766709_100000179758 [0,2,0,0,0,0|1,0,1]=4 4715 B11R0.42 C#CCCCCOC(C)C(=O)N 34a_100000766709_100000702099 [0,2,0,0,0,0|1,0,1]=4 4716 B11R0.42 C#CCCCCOC(C)C(=O)N 7a_100000766709_100000702099 [0,2,0,0,0,0|1,0,1]=4 4717 B11R0.42 C#CCCCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100010269958 [0,2,0,0,0,0|0,0,2]=4 4718 B11R0.42 C#CCCCCO[C@H](C)C(=O)N 34a_100000731257_100010269958 [0,2,0,0,0,0|1,0,1]=4 4719 B11R0.42 C#CCCCCO[C@H](C)C(=O)N 7a_100000731257_100010269958 [0,2,0,0,0,0|1,0,1]=4 4720 B11R0.42 C#CCCCCSC(C)C(=O)C 62a_100009814033_100010269958 [0,2,0,0,0,0|1,0,1]=4 4721 B11R0.42 C#CCCCCSC(C)C(=O)C 62a_100010269958_100009814033 [0,2,0,0,0,0|1,0,1]=4 4722 B11R0.42 C#CCCCCSC(C)C(=O)N 62a_100000702099_100010269958 [0,2,0,0,0,0|1,0,1]=4 4723 B11R0.42 C#CCCCCSC(C)C(=O)N 62a_100010269958_100000702099 [0,2,0,0,0,0|1,0,1]=4 4724 B11R0.42 C#CCCCNCC(C)C(=O)O 269956a_100000749485_100011215417 [0,2,0,0,0,0|0,0,1]=3 4725 B11R0.42 C#CCCCNCC(F)C(=O)O 269956a_100000084737_100011215417 [0,2,0,0,0,0|1,0,1]=4 4726 B11R0.42 C#CCCCOCC(C)C(=O)C 34a_100000032740_100000695029 [0,2,0,0,0,0|1,0,1]=4 4727 B11R0.42 C#CCCCOCC(C)C(=O)C 7a_100000032740_100011215417 [0,2,0,0,0,0|1,0,1]=4 4728 B11R0.42 C#CCOCCN[C@@H](C)C(=O)O 269956a_100000743915_100010402529 [0,2,0,0,0,0|0,0,2]=4 4729 B11R0.42 C=C(C)C(C)NCCCCCC 269862a_100000210581_100011216138 [0,2,0,0,0,0|2,0,0]=4 4730 B11R0.42 C=C(C)C(C)NCCCCCO 269862a_100000762737_100011216138 [0,2,0,0,0,0|2,0,0]=4 4731 B11R0.42 C=C(C)C(C)NCCCOCC 269862a_100000210961_100011216138 [0,2,0,0,0,0|2,0,0]=4 4732 B11R0.42 C=C(C)C(C)NCCOCCC 269862a_100161115042_100011216138 [0,2,0,0,0,0|2,0,0]=4 4733 B11R0.42 C=C(C)C(C)NCCSCCC 269862a_100020603323_100011216138 [0,2,0,0,0,0|2,0,0]=4 4734 B11R0.42 C=CCCCCNC(C)C(=O)C 2230a_100000703577_100009814033 [0,2,0,0,0,0|1,0,1]=4 4735 B11R0.42 C=CCCCCNC(C)C(=O)N 2230a_100000703577_100000702099 [0,2,0,0,0,0|1,0,1]=4 4736 B11R0.42 C=CCCCCNC(C)C(=O)N 34a_100000703577_100000702099 [0,2,0,0,0,0|1,0,1]=4 4737 B11R0.42 C=CCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100011215482 [0,2,0,0,0,0|0,0,1]=3 4738 B11R0.42 C=CCCCCN[C@H](C)C(=O)N 2230a_100000119354_100011215482 [0,2,0,0,0,0|1,0,1]=4 4739 B11R0.42 C=CCCCCN[C@H](C)C(=O)N 34a_100000119354_100011215482 [0,2,0,0,0,0|1,0,1]=4 4740 B11R0.42 C=CCCCCOC(C)C(=O)C 34a_100000212229_100011215482 [0,2,0,0,0,0|1,0,1]=4 4741 B11R0.42 C=CCCCCOC(C)C(=O)C 7a_100000766645_100000179758 [0,2,0,0,0,0|1,0,1]=4 4742 B11R0.42 C=CCCCCOC(C)C(=O)N 34a_100000766645_100000702099 [0,2,0,0,0,0|1,0,1]=4 4743 B11R0.42 C=CCCCCOC(C)C(=O)N 7a_100000766645_100000702099 [0,2,0,0,0,0|1,0,1]=4 4744 B11R0.42 C=CCCCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100011215482 [0,2,0,0,0,0|0,0,2]=4 4745 B11R0.42 C=CCCCCO[C@H](C)C(=O)C 1458a_200020631580_200000210301 [0,2,0,0,0,0|1,0,1]=4 4746 B11R0.42 C=CCCCCO[C@H](C)C(=O)N 34a_100000731257_100011215482 [0,2,0,0,0,0|1,0,1]=4 4747 B11R0.42 C=CCCCCO[C@H](C)C(=O)N 7a_100000731257_100011215482 [0,2,0,0,0,0|1,0,1]=4 4748 B11R0.42 C=CCCCCO[C@H](C)C(=O)[13CH3] 1458a_200020631580_200025704644 [0,2,0,0,0,0|1,0,1]=4 4749 B11R0.42 C=CCCCCSC(C)C(=O)C 62a_100009814033_100011215482 [0,2,0,0,0,0|1,0,1]=4 4750 B11R0.42 C=CCCCCSC(C)C(=O)C 62a_100011215482_100009814033 [0,2,0,0,0,0|1,0,1]=4 4751 B11R0.42 C=CCCCCSC(C)C(=O)N 62a_100000702099_100011215482 [0,2,0,0,0,0|1,0,1]=4 4752 B11R0.42 C=CCCCCSC(C)C(=O)N 62a_100011215482_100000702099 [0,2,0,0,0,0|1,0,1]=4 4753 B11R0.42 C=CCCCNCC(C)C(=O)O 269956a_100000749485_100011713584 [0,2,0,0,0,0|0,0,1]=3 4754 B11R0.42 C=CCCCNCC(F)C(=O)O 269956a_100000084737_100011713584 [0,2,0,0,0,0|1,0,1]=4 4755 B11R0.42 C=CCCCOCC(C)C(=O)C 34a_100000032740_100000757094 [0,2,0,0,0,0|1,0,1]=4 4756 B11R0.42 C=CCCCOCC(C)C(=O)C 7a_100000032740_100000757094 [0,2,0,0,0,0|1,0,1]=4 4757 B11R0.42 C=COCCNCC(C)C(=O)O 269956a_100000749485_100000039644 [0,2,0,0,0,0|0,0,2]=4 4758 B11R0.42 CC(=O)C(C)COCCCC#N 7a_100000032740_100000687738 [0,2,0,0,0,0|1,0,1]=4 4759 B11R0.42 CC(=O)C(C)COCCCC=O 7a_100000032740_200011292268 [0,2,0,0,0,0|1,0,1]=4 4760 B11R0.42 CC(=O)C(C)COCCCCF 34a_100000032740_100000729493 [0,2,0,0,0,0|1,0,0]=3 4761 B11R0.42 CC(=O)C(C)COCCCCF 7a_100000032740_100000729493 [0,2,0,0,0,0|1,0,0]=3 4762 B11R0.42 CC(=O)C(C)COCCCCO 34a_100000032740_100011216708 [0,2,0,0,0,0|1,0,0]=3 4763 B11R0.42 CC(=O)C(C)COCCCCO 7a_100000032740_100000210776 [0,2,0,0,0,0|1,0,0]=3 4764 B11R0.42 CC(=O)C(C)NCCCCCO 2230a_100000762737_100009814033 [0,2,0,0,0,0|1,0,0]=3 4765 B11R0.42 CC(=O)C(C)NCCOCCO 2230a_100000211614_100009814033 [0,2,0,0,0,0|2,0,0]=4 4766 B11R0.42 CC(=O)C(C)NCCSCCO 2230a_100011219999_100009814033 [0,2,0,0,0,0|2,0,0]=4 4767 B11R0.42 CC(=O)C(C)OCCCCCBr 7a_100000746331_100000179758 [0,2,0,0,0,0|1,0,0]=3 4768 B11R0.42 CC(=O)C(C)OCCCCCCl 7a_100000746330_100000179758 [0,2,0,0,0,0|1,0,0]=3 4769 B11R0.42 CC(=O)C(C)OCCCCCF 34a_100000212229_100000729378 [0,2,0,0,0,0|1,0,0]=3 4770 B11R0.42 CC(=O)C(C)OCCCCCI 7a_200012148887_100000179758 [0,2,0,0,0,0|1,0,0]=3 4771 B11R0.42 CC(=O)C(C)OCCCCCO 34a_100000212229_100000746330 [0,2,0,0,0,0|1,0,0]=3 4772 B11R0.42 CC(=O)C(C)OCCOCCBr 7a_100000692535_100000179758 [0,2,0,0,0,0|2,0,0]=4 4773 B11R0.42 CC(=O)C(C)OCCOCCCl 7a_100011215305_100000179758 [0,2,0,0,0,0|2,0,0]=4 4774 B11R0.42 CC(=O)C(C)OCCOCCF 7a_200015357709_100000179758 [0,2,0,0,0,0|2,0,0]=4 4775 B11R0.42 CC(=O)C(C)OCCOCCI 7a_100012149058_100000179758 [0,2,0,0,0,0|2,0,0]=4 4776 B11R0.42 CC(=O)C(C)OCCOCCO 34a_100000212229_100000692535 [0,2,0,0,0,0|2,0,0]=4 4777 B11R0.42 CC(=O)C(C)SCCCCC#N 62a_100009814033_100000211819 [0,2,0,0,0,0|1,0,1]=4 4778 B11R0.42 CC(=O)C(C)SCCCCC#N 62a_100011219923_100009814033 [0,2,0,0,0,0|1,0,1]=4 4779 B11R0.42 CC(=O)C(C)SCCCCC=O 62a_100000139335_100009814033 [0,2,0,0,0,0|1,0,1]=4 4780 B11R0.42 CC(=O)C(C)SCCCCC=O 62a_100009814033_100000139335 [0,2,0,0,0,0|1,0,1]=4 4781 B11R0.42 CC(=O)C(C)SCCCCCF 62a_100000729378_100009814033 [0,2,0,0,0,0|1,0,0]=3 4782 B11R0.42 CC(=O)C(C)SCCCCCF 62a_100009814033_100000729378 [0,2,0,0,0,0|1,0,0]=3 4783 B11R0.42 CC(=O)C(C)SCCCCCO 62a_100000746330_100009814033 [0,2,0,0,0,0|1,0,0]=3 4784 B11R0.42 CC(=O)C(C)SCCCCCO 62a_100009814033_100000746330 [0,2,0,0,0,0|1,0,0]=3 4785 B11R0.42 CC(=O)C(C)SCCOCCO 62a_100009814033_100011215305 [0,2,0,0,0,0|2,0,0]=4 4786 B11R0.42 CC(=O)C(C)SCCOCCO 62a_100011215305_100009814033 [0,2,0,0,0,0|2,0,0]=4 4787 B11R0.42 CC(CNCC#CCO)C(=O)O 269956a_100000749485_200000047223 [0,2,0,0,0,0|0,0,2]=4 4788 B11R0.42 CC(CNCCCC#N)C(=O)O 269956a_100000749485_100000687738 [0,2,0,0,0,0|0,0,1]=3 4789 B11R0.42 CC(CNCCCC=O)C(=O)O 269956a_100000749485_200011292268 [0,2,0,0,0,0|0,0,1]=3 4790 B11R0.42 CC(CNCCCCF)C(=O)O 269956a_100000749485_100000729493 [0,2,0,0,0,0|0,0,0]=2 4791 B11R0.42 CC(CNCCCCO)C(=O)O 269956a_100000749485_100000210776 [0,2,0,0,0,0|0,0,0]=2 4792 B11R0.42 CC(CNCCSC#N)C(=O)O 269956a_100000749485_100000034367 [0,2,0,0,0,0|1,0,1]=4 4793 B11R0.42 CC(COCCCCF)[N+](=O)[O-] 34a_100000039676_100000729493 [0,2,0,0,0,0|1,0,1]=4 4794 B11R0.42 CC(COCCCCF)[N+](=O)[O-] 7a_100000039676_100000729493 [0,2,0,0,0,0|1,0,1]=4 4795 B11R0.42 CC(COCCCCO)[N+](=O)[O-] 34a_100000039676_100011216708 [0,2,0,0,0,0|1,0,1]=4 4796 B11R0.42 CC(COCCCCO)[N+](=O)[O-] 7a_100000039676_100000210776 [0,2,0,0,0,0|1,0,1]=4 4797 B11R0.42 CC(NCCCCCO)C(=O)N 2230a_100000762737_100000702099 [0,2,0,0,0,0|1,0,0]=3 4798 B11R0.42 CC(NCCCCCO)C(=O)N 34a_100000762737_100000702099 [0,2,0,0,0,0|1,0,0]=3 4799 B11R0.42 CC(NCCOCCO)C(=O)N 2230a_100000211614_100000702099 [0,2,0,0,0,0|2,0,0]=4 4800 B11R0.42 CC(NCCOCCO)C(=O)N 34a_100000211614_100000702099 [0,2,0,0,0,0|2,0,0]=4 4801 B11R0.42 CC(NCCSCCO)C(=O)N 2230a_100011219999_100000702099 [0,2,0,0,0,0|2,0,0]=4 4802 B11R0.42 CC(OCCCCCBr)C(=O)N 34a_100000746331_100000702099 [0,2,0,0,0,0|1,0,0]=3 4803 B11R0.42 CC(OCCCCCBr)C(=O)N 7a_100000746331_100000702099 [0,2,0,0,0,0|1,0,0]=3 4804 B11R0.42 CC(OCCCCCCl)C(=O)N 34a_100000746330_100000702099 [0,2,0,0,0,0|1,0,0]=3 4805 B11R0.42 CC(OCCCCCCl)C(=O)N 7a_100000746330_100000702099 [0,2,0,0,0,0|1,0,0]=3 4806 B11R0.42 CC(OCCCCCI)C(=O)N 34a_200012148887_100000702099 [0,2,0,0,0,0|1,0,0]=3 4807 B11R0.42 CC(OCCCCCI)C(=O)N 7a_200012148887_100000702099 [0,2,0,0,0,0|1,0,0]=3 4808 B11R0.42 CC(OCCCCCN)C(=O)N 34a_100000762737_100000702099 [0,2,0,0,0,0|1,0,0]=3 4809 B11R0.42 CC(OCCOCCBr)C(=O)N 34a_100000692535_100000702099 [0,2,0,0,0,0|2,0,0]=4 4810 B11R0.42 CC(OCCOCCBr)C(=O)N 7a_100000692535_100000702099 [0,2,0,0,0,0|2,0,0]=4 4811 B11R0.42 CC(OCCOCCCl)C(=O)N 34a_100011215305_100000702099 [0,2,0,0,0,0|2,0,0]=4 4812 B11R0.42 CC(OCCOCCCl)C(=O)N 7a_100011215305_100000702099 [0,2,0,0,0,0|2,0,0]=4 4813 B11R0.42 CC(OCCOCCF)C(=O)N 34a_200015357709_100000702099 [0,2,0,0,0,0|2,0,0]=4 4814 B11R0.42 CC(OCCOCCF)C(=O)N 7a_200015357709_100000702099 [0,2,0,0,0,0|2,0,0]=4 4815 B11R0.42 CC(OCCOCCI)C(=O)N 34a_100012149058_100000702099 [0,2,0,0,0,0|2,0,0]=4 4816 B11R0.42 CC(OCCOCCI)C(=O)N 7a_100012149058_100000702099 [0,2,0,0,0,0|2,0,0]=4 4817 B11R0.42 CC(OCCOCCN)C(=O)N 34a_100000211614_100000702099 [0,2,0,0,0,0|2,0,0]=4 4818 B11R0.42 CC(SCCCCC#N)C(=O)N 62a_100000702099_100000211819 [0,2,0,0,0,0|1,0,1]=4 4819 B11R0.42 CC(SCCCCC#N)C(=O)N 62a_100011219923_100000702099 [0,2,0,0,0,0|1,0,1]=4 4820 B11R0.42 CC(SCCCCC=O)C(=O)N 62a_100000139335_100000702099 [0,2,0,0,0,0|1,0,1]=4 4821 B11R0.42 CC(SCCCCC=O)C(=O)N 62a_100000702099_100000139335 [0,2,0,0,0,0|1,0,1]=4 4822 B11R0.42 CC(SCCCCCF)C(=O)N 62a_100000702099_100000729378 [0,2,0,0,0,0|1,0,0]=3 4823 B11R0.42 CC(SCCCCCF)C(=O)N 62a_100000729378_100000702099 [0,2,0,0,0,0|1,0,0]=3 4824 B11R0.42 CC(SCCCCCO)C(=O)N 62a_100000702099_100000746330 [0,2,0,0,0,0|1,0,0]=3 4825 B11R0.42 CC(SCCCCCO)C(=O)N 62a_100000746330_100000702099 [0,2,0,0,0,0|1,0,0]=3 4826 B11R0.42 CC(SCCOCCO)C(=O)N 62a_100000702099_100011215305 [0,2,0,0,0,0|2,0,0]=4 4827 B11R0.42 CC(SCCOCCO)C(=O)N 62a_100011215305_100000702099 [0,2,0,0,0,0|2,0,0]=4 4828 B11R0.42 CC/C=C\CCN[C@@H](C)C(=O)O 269956a_100000743915_100015370543 [0,2,0,0,0,0|0,0,1]=3 4829 B11R0.42 CC/C=C\CCN[C@H](C)C(=O)N 2230a_100000119354_100015370543 [0,2,0,0,0,0|1,0,1]=4 4830 B11R0.42 CC/C=C\CCN[C@H](C)C(=O)N 34a_100000119354_100015370543 [0,2,0,0,0,0|1,0,1]=4 4831 B11R0.42 CC/C=C\CCOC(C)C(=O)C 34a_100000212229_100015370543 [0,2,0,0,0,0|1,0,1]=4 4832 B11R0.42 CC/C=C\CCOC(C)C(=O)C 7a_100016288707_100000179758 [0,2,0,0,0,0|1,0,1]=4 4833 B11R0.42 CC/C=C\CCOC(C)C(=O)N 34a_100016288707_100000702099 [0,2,0,0,0,0|1,0,1]=4 4834 B11R0.42 CC/C=C\CCOC(C)C(=O)N 7a_100016288707_100000702099 [0,2,0,0,0,0|1,0,1]=4 4835 B11R0.42 CC/C=C\CCO[C@@H](C)C(=O)[O-] 7a_217856618621_100015370543 [0,2,0,0,0,0|0,0,2]=4 4836 B11R0.42 CC/C=C\CCO[C@H](C)C(=O)N 34a_100000731257_100015370543 [0,2,0,0,0,0|1,0,1]=4 4837 B11R0.42 CC/C=C\CCO[C@H](C)C(=O)N 7a_100000731257_100015370543 [0,2,0,0,0,0|1,0,1]=4 4838 B11R0.42 CC/C=C\CCSC(C)C(=O)C 62a_100009814033_100015370543 [0,2,0,0,0,0|1,0,1]=4 4839 B11R0.42 CC/C=C\CCSC(C)C(=O)C 62a_100015370543_100009814033 [0,2,0,0,0,0|1,0,1]=4 4840 B11R0.42 CC/C=C\CCSC(C)C(=O)N 62a_100000702099_100015370543 [0,2,0,0,0,0|1,0,1]=4 4841 B11R0.42 CC/C=C\CCSC(C)C(=O)N 62a_100015370543_100000702099 [0,2,0,0,0,0|1,0,1]=4 4842 B11R0.42 CC/C=C\CNCC(C)C(=O)O 269956a_100000749485_100103147603 [0,2,0,0,0,0|0,0,1]=3 4843 B11R0.42 CC/C=C\CNCC(F)C(=O)O 269956a_100000084737_100103147603 [0,2,0,0,0,0|1,0,1]=4 4844 B11R0.42 CC/C=C\COCC(C)C(=O)C 34a_100000032740_100103147603 [0,2,0,0,0,0|1,0,1]=4 4845 B11R0.42 CC/C=C\COCC(C)C(=O)C 7a_100000032740_100103147603 [0,2,0,0,0,0|1,0,1]=4 4846 B11R0.42 CC=CCCCOC(C)C(=O)N 34a_100020645299_100000702099 [0,2,0,0,0,0|1,0,1]=4 4847 B11R0.42 CCC#CCCOC(C)C(=O)C 7a_100000036655_100000179758 [0,2,0,0,0,0|1,0,1]=4 4848 B11R0.42 CCC#CCCOC(C)C(=O)N 34a_100000036655_100000702099 [0,2,0,0,0,0|1,0,1]=4 4849 B11R0.42 CCC#CCCOC(C)C(=O)N 7a_100000036655_100000702099 [0,2,0,0,0,0|1,0,1]=4 4850 B11R0.42 CCC#CCNCC(C)C(=O)O 269956a_100000749485_100009813939 [0,2,0,0,0,0|0,0,1]=3 4851 B11R0.42 CCC#CCNCC(F)C(=O)O 269956a_100000084737_100009813939 [0,2,0,0,0,0|1,0,1]=4 4852 B11R0.42 CCC#CCOCC(C)C(=O)C 34a_100000032740_100009813939 [0,2,0,0,0,0|1,0,1]=4 4853 B11R0.42 CCC#CCOCC(C)C(=O)C 7a_100000032740_100009813939 [0,2,0,0,0,0|1,0,1]=4 4854 B11R0.42 CCC/C=C/COC(C)C(=O)C 7a_100016278788_100000179758 [0,2,0,0,0,0|1,0,1]=4 4855 B11R0.42 CCC/C=C/COC(C)C(=O)N 34a_100016278788_100000702099 [0,2,0,0,0,0|1,0,1]=4 4856 B11R0.42 CCC/C=C/COC(C)C(=O)N 7a_100016278788_100000702099 [0,2,0,0,0,0|1,0,1]=4 4857 B11R0.42 CCCC#CCOC(C)C(=O)C 7a_100000034806_100000179758 [0,2,0,0,0,0|1,0,1]=4 4858 B11R0.42 CCCC#CCOC(C)C(=O)N 34a_100000034806_100000702099 [0,2,0,0,0,0|1,0,1]=4 4859 B11R0.42 CCCC#CCOC(C)C(=O)N 7a_100000034806_100000702099 [0,2,0,0,0,0|1,0,1]=4 4860 B11R0.42 CCCCCCCC(C)C(=O)C 1458a_100000070787_200011218727 [0,2,0,0,0,0|1,0,0]=3 4861 B11R0.42 CCCCCCCN(C)C(=O)C 11a_100000228206_100015343762 [0,2,0,0,0,0|2,0,0]=4 4862 B11R0.42 CCCCCCCN(C)C(=O)C 1626a_100000228206_100015343762 [0,2,0,0,0,0|2,0,0]=4 4863 B11R0.42 CCCCCCCN(C)C(=O)C 240690a_100000228206_100015343762 [0,2,0,0,0,0|2,0,0]=4 4864 B11R0.42 CCCCCCCN(C)C(=O)C 527a_100000228206_100103153847 [0,2,0,0,0,0|2,0,0]=4 4865 B11R0.42 CCCCCCNC(C)C(=O)C 2230a_100000210581_100009814033 [0,2,0,0,0,0|1,0,0]=3 4866 B11R0.42 CCCCCCNC(C)C(=O)N 2230a_100000210581_100000702099 [0,2,0,0,0,0|1,0,0]=3 4867 B11R0.42 CCCCCCNC(F)C(=O)N 2230a_100000210581_100009813875 [0,2,0,0,0,0|2,0,0]=4 4868 B11R0.42 CCCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210757 [0,2,0,0,0,0|0,0,0]=2 4869 B11R0.42 CCCCCCN[C@H](C)C(=O)N 2230a_100000119354_100000210314 [0,2,0,0,0,0|1,0,0]=3 4870 B11R0.42 CCCCCCN[C@H](C)C(=O)N 34a_100000119354_100000210314 [0,2,0,0,0,0|1,0,0]=3 4871 B11R0.42 CCCCCCOC(C)C(=O)C 34a_100000212229_100000210314 [0,2,0,0,0,0|1,0,0]=3 4872 B11R0.42 CCCCCCOC(C)C(=O)C 7a_100000210259_100000179758 [0,2,0,0,0,0|1,0,0]=3 4873 B11R0.42 CCCCCCOC(C)C(=O)N 34a_100000210259_100000702099 [0,2,0,0,0,0|1,0,0]=3 4874 B11R0.42 CCCCCCOC(C)C(=O)N 7a_100000210259_100000702099 [0,2,0,0,0,0|1,0,0]=3 4875 B11R0.42 CCCCCCOC(F)C(=O)N 34a_100000210259_100009813875 [0,2,0,0,0,0|2,0,0]=4 4876 B11R0.42 CCCCCCOC(F)C(=O)N 7a_100000210259_100009813875 [0,2,0,0,0,0|2,0,0]=4 4877 B11R0.42 CCCCCCOC(F)C(=O)[O-] 34a_100000210259_100020610796 [0,2,0,0,0,0|1,0,1]=4 4878 B11R0.42 CCCCCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210314 [0,2,0,0,0,0|0,0,1]=3 4879 B11R0.42 CCCCCCO[C@H](C)C(=O)N 34a_100000731257_100000210314 [0,2,0,0,0,0|1,0,0]=3 4880 B11R0.42 CCCCCCO[C@H](C)C(=O)N 7a_100000731257_100000210314 [0,2,0,0,0,0|1,0,0]=3 4881 B11R0.42 CCCCCCSC(C)C(=O)C 62a_100000210314_100009814033 [0,2,0,0,0,0|1,0,0]=3 4882 B11R0.42 CCCCCCSC(C)C(=O)C 62a_100009814033_100000210757 [0,2,0,0,0,0|1,0,0]=3 4883 B11R0.42 CCCCCCSC(C)C(=O)N 62a_100000210314_100000702099 [0,2,0,0,0,0|1,0,0]=3 4884 B11R0.42 CCCCCCSC(C)C(=O)N 62a_100000702099_100000210757 [0,2,0,0,0,0|1,0,0]=3 4885 B11R0.42 CCCCCCSC(F)C(=O)N 62a_100000210314_100009813875 [0,2,0,0,0,0|2,0,0]=4 4886 B11R0.42 CCCCCCSC(F)C(=O)N 62a_100009813875_100000210757 [0,2,0,0,0,0|2,0,0]=4 4887 B11R0.42 CCCCCCSC(F)C(=O)[O-] 62a_100000210314_100020610796 [0,2,0,0,0,0|1,0,1]=4 4888 B11R0.42 CCCCCCSC(F)C(=O)[O-] 62a_100020610796_100000210757 [0,2,0,0,0,0|1,0,1]=4 4889 B11R0.42 CCCCCNCC(C)C(=O)O 269956a_100000749485_100000210326 [0,2,0,0,0,0|0,0,0]=2 4890 B11R0.42 CCCCCNCC(F)C(=O)O 269956a_100000084737_100000210326 [0,2,0,0,0,0|1,0,0]=3 4891 B11R0.42 CCCCCOCC(C)C(=O)C 34a_100000032740_100000718602 [0,2,0,0,0,0|1,0,0]=3 4892 B11R0.42 CCCCCOCC(C)C(=O)C 7a_100000032740_100000210326 [0,2,0,0,0,0|1,0,0]=3 4893 B11R0.42 CCCCCOCC(C)[N+](=O)[O-] 34a_100000039676_100000718602 [0,2,0,0,0,0|1,0,1]=4 4894 B11R0.42 CCCCCOCC(C)[N+](=O)[O-] 7a_100000039676_100000210326 [0,2,0,0,0,0|1,0,1]=4 4895 B11R0.42 CCCCCOC[C@H](N)C(=O)N 34a_100000729942_100000718602 [0,2,0,0,0,0|2,0,0]=4 4896 B11R0.42 CCCCOCN[C@@H](C)C(=O)O 269956a_100000743915_100011995733 [0,2,0,0,0,0|0,0,0]=2 4897 B11R0.42 CCCCOCN[C@H](C)C(=O)N 2230a_100000119354_100011995733 [0,2,0,0,0,0|1,0,0]=3 4898 B11R0.42 CCCCOCN[C@H](C)C(=O)N 34a_100000119354_100011995733 [0,2,0,0,0,0|1,0,0]=3 4899 B11R0.42 CCCCOCOC(C)C(=O)C 34a_100000212229_100011995733 [0,2,0,0,0,0|1,0,0]=3 4900 B11R0.42 CCCCOCO[C@H](C)C(=O)N 34a_100000731257_100011995733 [0,2,0,0,0,0|1,0,0]=3 4901 B11R0.42 CCCCOCSC(C)C(=O)C 62a_100009814033_100011995733 [0,2,0,0,0,0|1,0,0]=3 4902 B11R0.42 CCCCOCSC(C)C(=O)C 62a_100011995733_100009814033 [0,2,0,0,0,0|1,0,0]=3 4903 B11R0.42 CCCCOCSC(C)C(=O)N 62a_100000702099_100011995733 [0,2,0,0,0,0|1,0,0]=3 4904 B11R0.42 CCCCOCSC(C)C(=O)N 62a_100011995733_100000702099 [0,2,0,0,0,0|1,0,0]=3 4905 B11R0.42 CCCCOCSC(F)C(=O)N 62a_100009813875_100011995733 [0,2,0,0,0,0|2,0,0]=4 4906 B11R0.42 CCCCOCSC(F)C(=O)N 62a_100011995733_100009813875 [0,2,0,0,0,0|2,0,0]=4 4907 B11R0.42 CCCCOCSC(F)C(=O)[O-] 62a_100011995733_100020610796 [0,2,0,0,0,0|1,0,1]=4 4908 B11R0.42 CCCCOCSC(F)C(=O)[O-] 62a_100020610796_100011995733 [0,2,0,0,0,0|1,0,1]=4 4909 B11R0.42 CCCOCCNC(C)C(=O)C 2230a_100161115042_100009814033 [0,2,0,0,0,0|1,0,0]=3 4910 B11R0.42 CCCOCCNC(C)C(=O)N 2230a_100161115042_100000702099 [0,2,0,0,0,0|1,0,0]=3 4911 B11R0.42 CCCOCCNC(C)C(=O)N 34a_100161115042_100000702099 [0,2,0,0,0,0|1,0,0]=3 4912 B11R0.42 CCCOCCNC(F)C(=O)N 2230a_100161115042_100009813875 [0,2,0,0,0,0|2,0,0]=4 4913 B11R0.42 CCCOCCNC(F)C(=O)N 34a_100161115042_100009813875 [0,2,0,0,0,0|2,0,0]=4 4914 B11R0.42 CCCOCCNC(F)C(=O)[O-] 34a_100161115042_100020610796 [0,2,0,0,0,0|1,0,1]=4 4915 B11R0.42 CCCOCCN[C@@H](C)C(=O)O 269956a_100000743915_100011215938 [0,2,0,0,0,0|0,0,0]=2 4916 B11R0.42 CCCOCCN[C@H](C)C(=O)N 2230a_100000119354_100011215938 [0,2,0,0,0,0|1,0,0]=3 4917 B11R0.42 CCCOCCN[C@H](C)C(=O)N 34a_100000119354_100011215938 [0,2,0,0,0,0|1,0,0]=3 4918 B11R0.42 CCCOCCOC(C)C(=O)C 34a_100000212229_100011215938 [0,2,0,0,0,0|1,0,0]=3 4919 B11R0.42 CCCOCCOC(C)C(=O)C 7a_100000752267_100000179758 [0,2,0,0,0,0|1,0,0]=3 4920 B11R0.42 CCCOCCOC(C)C(=O)N 34a_100000752267_100000702099 [0,2,0,0,0,0|1,0,0]=3 4921 B11R0.42 CCCOCCOC(C)C(=O)N 7a_100000752267_100000702099 [0,2,0,0,0,0|1,0,0]=3 4922 B11R0.42 CCCOCCOC(F)C(=O)N 34a_100000752267_100009813875 [0,2,0,0,0,0|2,0,0]=4 4923 B11R0.42 CCCOCCOC(F)C(=O)N 7a_100000752267_100009813875 [0,2,0,0,0,0|2,0,0]=4 4924 B11R0.42 CCCOCCOC(F)C(=O)[O-] 34a_100000752267_100020610796 [0,2,0,0,0,0|1,0,1]=4 4925 B11R0.42 CCCOCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100011215938 [0,2,0,0,0,0|0,0,1]=3 4926 B11R0.42 CCCOCCO[C@H](C)C(=O)N 34a_100000731257_100011215938 [0,2,0,0,0,0|1,0,0]=3 4927 B11R0.42 CCCOCCO[C@H](C)C(=O)N 7a_100000731257_100011215938 [0,2,0,0,0,0|1,0,0]=3 4928 B11R0.42 CCCOCCSC(C)C(=O)C 62a_100009814033_100011215938 [0,2,0,0,0,0|1,0,0]=3 4929 B11R0.42 CCCOCCSC(C)C(=O)C 62a_100011215938_100009814033 [0,2,0,0,0,0|1,0,0]=3 4930 B11R0.42 CCCOCCSC(C)C(=O)N 62a_100000702099_100011215938 [0,2,0,0,0,0|1,0,0]=3 4931 B11R0.42 CCCOCCSC(C)C(=O)N 62a_100011215938_100000702099 [0,2,0,0,0,0|1,0,0]=3 4932 B11R0.42 CCCOCCSC(F)C(=O)N 62a_100009813875_100011215938 [0,2,0,0,0,0|2,0,0]=4 4933 B11R0.42 CCCOCCSC(F)C(=O)N 62a_100011215938_100009813875 [0,2,0,0,0,0|2,0,0]=4 4934 B11R0.42 CCCOCCSC(F)C(=O)[O-] 62a_100011215938_100020610796 [0,2,0,0,0,0|1,0,1]=4 4935 B11R0.42 CCCOCCSC(F)C(=O)[O-] 62a_100020610796_100011215938 [0,2,0,0,0,0|1,0,1]=4 4936 B11R0.42 CCCSCCNC(C)C(=O)C 2230a_100020603323_100009814033 [0,2,0,0,0,0|1,0,0]=3 4937 B11R0.42 CCCSCCNC(C)C(=O)N 2230a_100020603323_100000702099 [0,2,0,0,0,0|1,0,0]=3 4938 B11R0.42 CCCSCCNC(F)C(=O)N 2230a_100020603323_100009813875 [0,2,0,0,0,0|2,0,0]=4 4939 B11R0.42 CCCSCCOC(C)C(=O)C 7a_200000230433_100000179758 [0,2,0,0,0,0|1,0,0]=3 4940 B11R0.42 CCCSCCOC(C)C(=O)N 34a_200000230433_100000702099 [0,2,0,0,0,0|1,0,0]=3 4941 B11R0.42 CCCSCCOC(C)C(=O)N 7a_200000230433_100000702099 [0,2,0,0,0,0|1,0,0]=3 4942 B11R0.42 CCCSCCOC(F)C(=O)N 34a_200000230433_100009813875 [0,2,0,0,0,0|2,0,0]=4 4943 B11R0.42 CCCSCCOC(F)C(=O)N 7a_200000230433_100009813875 [0,2,0,0,0,0|2,0,0]=4 4944 B11R0.42 CCCSCCOC(F)C(=O)[O-] 34a_200000230433_100020610796 [0,2,0,0,0,0|1,0,1]=4 4945 B11R0.42 CCOCCCNC(C)C(=O)C 2230a_100000210961_100009814033 [0,2,0,0,0,0|1,0,0]=3 4946 B11R0.42 CCOCCCNC(C)C(=O)N 2230a_100000210961_100000702099 [0,2,0,0,0,0|1,0,0]=3 4947 B11R0.42 CCOCCCNC(C)C(=O)N 34a_100000210961_100000702099 [0,2,0,0,0,0|1,0,0]=3 4948 B11R0.42 CCOCCCNC(F)C(=O)N 2230a_100000210961_100009813875 [0,2,0,0,0,0|2,0,0]=4 4949 B11R0.42 CCOCCCNC(F)C(=O)N 34a_100000210961_100009813875 [0,2,0,0,0,0|2,0,0]=4 4950 B11R0.42 CCOCCCNC(F)C(=O)[O-] 34a_100000210961_100020610796 [0,2,0,0,0,0|1,0,1]=4 4951 B11R0.42 CCOCCCN[C@@H](C)C(=O)O 269956a_100000743915_100012232248 [0,2,0,0,0,0|0,0,0]=2 4952 B11R0.42 CCOCCCN[C@H](C)C(=O)N 2230a_100000119354_100012232248 [0,2,0,0,0,0|1,0,0]=3 4953 B11R0.42 CCOCCCN[C@H](C)C(=O)N 34a_100000119354_100012232248 [0,2,0,0,0,0|1,0,0]=3 4954 B11R0.42 CCOCCCOC(C)C(=O)C 34a_100000212229_100012232248 [0,2,0,0,0,0|1,0,0]=3 4955 B11R0.42 CCOCCCOC(C)C(=O)C 7a_100000757476_100000179758 [0,2,0,0,0,0|1,0,0]=3 4956 B11R0.42 CCOCCCOC(C)C(=O)N 34a_100000757476_100000702099 [0,2,0,0,0,0|1,0,0]=3 4957 B11R0.42 CCOCCCOC(C)C(=O)N 7a_100000757476_100000702099 [0,2,0,0,0,0|1,0,0]=3 4958 B11R0.42 CCOCCCOC(F)C(=O)N 34a_100000757476_100009813875 [0,2,0,0,0,0|2,0,0]=4 4959 B11R0.42 CCOCCCOC(F)C(=O)N 7a_100000757476_100009813875 [0,2,0,0,0,0|2,0,0]=4 4960 B11R0.42 CCOCCCOC(F)C(=O)[O-] 34a_100000757476_100020610796 [0,2,0,0,0,0|1,0,1]=4 4961 B11R0.42 CCOCCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100012232248 [0,2,0,0,0,0|0,0,1]=3 4962 B11R0.42 CCOCCCO[C@H](C)C(=O)N 34a_100000731257_100012232248 [0,2,0,0,0,0|1,0,0]=3 4963 B11R0.42 CCOCCCO[C@H](C)C(=O)N 7a_100000731257_100012232248 [0,2,0,0,0,0|1,0,0]=3 4964 B11R0.42 CCOCCCSC(C)C(=O)C 62a_100009814033_100012232248 [0,2,0,0,0,0|1,0,0]=3 4965 B11R0.42 CCOCCCSC(C)C(=O)C 62a_100012232248_100009814033 [0,2,0,0,0,0|1,0,0]=3 4966 B11R0.42 CCOCCCSC(C)C(=O)N 62a_100000702099_100012232248 [0,2,0,0,0,0|1,0,0]=3 4967 B11R0.42 CCOCCCSC(C)C(=O)N 62a_100012232248_100000702099 [0,2,0,0,0,0|1,0,0]=3 4968 B11R0.42 CCOCCCSC(F)C(=O)N 62a_100009813875_100012232248 [0,2,0,0,0,0|2,0,0]=4 4969 B11R0.42 CCOCCCSC(F)C(=O)N 62a_100012232248_100009813875 [0,2,0,0,0,0|2,0,0]=4 4970 B11R0.42 CCOCCCSC(F)C(=O)[O-] 62a_100012232248_100020610796 [0,2,0,0,0,0|1,0,1]=4 4971 B11R0.42 CCOCCCSC(F)C(=O)[O-] 62a_100020610796_100012232248 [0,2,0,0,0,0|1,0,1]=4 4972 B11R0.42 CCOCCNCC(C)C(=O)O 269956a_100000749485_100000210147 [0,2,0,0,0,0|0,0,0]=2 4973 B11R0.42 CCOCCNCC(F)C(=O)O 269956a_100000084737_100000210147 [0,2,0,0,0,0|1,0,0]=3 4974 B11R0.42 CCOCCOCC(C)C(=O)C 34a_100000032740_100000210147 [0,2,0,0,0,0|1,0,0]=3 4975 B11R0.42 CCOCCOCC(C)C(=O)C 7a_100000032740_100011215890 [0,2,0,0,0,0|1,0,0]=3 4976 B11R0.42 CCOCCOCC(C)[N+](=O)[O-] 34a_100000039676_100000210147 [0,2,0,0,0,0|1,0,1]=4 4977 B11R0.42 CCOCCOCC(C)[N+](=O)[O-] 7a_100000039676_100011215890 [0,2,0,0,0,0|1,0,1]=4 4978 B11R0.42 CCOCCOC[C@H](N)C(=O)N 34a_100000729942_100000210147 [0,2,0,0,0,0|2,0,0]=4 4979 B11R0.42 CCSCCCOC(C)C(=O)C 7a_100011216438_100000179758 [0,2,0,0,0,0|1,0,0]=3 4980 B11R0.42 CCSCCCOC(C)C(=O)N 34a_100011216438_100000702099 [0,2,0,0,0,0|1,0,0]=3 4981 B11R0.42 CCSCCCOC(C)C(=O)N 7a_100011216438_100000702099 [0,2,0,0,0,0|1,0,0]=3 4982 B11R0.42 CCSCCCOC(F)C(=O)N 34a_100011216438_100009813875 [0,2,0,0,0,0|2,0,0]=4 4983 B11R0.42 CCSCCCOC(F)C(=O)N 7a_100011216438_100009813875 [0,2,0,0,0,0|2,0,0]=4 4984 B11R0.42 CCSCCCOC(F)C(=O)[O-] 34a_100011216438_100020610796 [0,2,0,0,0,0|1,0,1]=4 4985 B11R0.42 CCSCCNCC(C)C(=O)O 269956a_100000749485_100000757381 [0,2,0,0,0,0|0,0,0]=2 4986 B11R0.42 CCSCCNCC(F)C(=O)O 269956a_100000084737_100000757381 [0,2,0,0,0,0|1,0,0]=3 4987 B11R0.42 CCSCCOCC(C)C(=O)C 34a_100000032740_100000757381 [0,2,0,0,0,0|1,0,0]=3 4988 B11R0.42 CCSCCOCC(C)C(=O)C 7a_100000032740_100000757381 [0,2,0,0,0,0|1,0,0]=3 4989 B11R0.42 CCSCCOCC(C)[N+](=O)[O-] 34a_100000039676_100000757381 [0,2,0,0,0,0|1,0,1]=4 4990 B11R0.42 CCSCCOCC(C)[N+](=O)[O-] 7a_100000039676_100000757381 [0,2,0,0,0,0|1,0,1]=4 4991 B11R0.42 CCSCCOC[C@H](N)C(=O)N 34a_100000729942_100000757381 [0,2,0,0,0,0|2,0,0]=4 4992 B11R0.42 COCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000730899 [0,2,0,0,0,0|0,0,0]=2 4993 B11R0.42 COCCCCN[C@H](C)C(=O)N 2230a_100000119354_100000730899 [0,2,0,0,0,0|1,0,0]=3 4994 B11R0.42 COCCCCN[C@H](C)C(=O)N 34a_100000119354_100000755781 [0,2,0,0,0,0|1,0,0]=3 4995 B11R0.42 COCCCCOC(C)C(=O)C 34a_100000212229_100000755781 [0,2,0,0,0,0|1,0,0]=3 4996 B11R0.42 COCCCCOC(C)C(=O)N 34a_100000740925_100000702099 [0,2,0,0,0,0|1,0,0]=3 4997 B11R0.42 COCCCCOC(F)C(=O)N 34a_100000740925_100009813875 [0,2,0,0,0,0|2,0,0]=4 4998 B11R0.42 COCCCCOC(F)C(=O)[O-] 34a_100000740925_100020610796 [0,2,0,0,0,0|1,0,1]=4 4999 B11R0.42 COCCCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000730899 [0,2,0,0,0,0|0,0,1]=3 5000 B11R0.42 COCCCCO[C@H](C)C(=O)N 34a_100000731257_100000755781 [0,2,0,0,0,0|1,0,0]=3 5001 B11R0.42 COCCCCO[C@H](C)C(=O)N 7a_100000731257_100000730899 [0,2,0,0,0,0|1,0,0]=3 5002 B11R0.42 COCCCCSC(C)C(=O)C 62a_100000730899_100009814033 [0,2,0,0,0,0|1,0,0]=3 5003 B11R0.42 COCCCCSC(C)C(=O)C 62a_100009814033_100000730899 [0,2,0,0,0,0|1,0,0]=3 5004 B11R0.42 COCCCCSC(C)C(=O)N 62a_100000702099_100000730899 [0,2,0,0,0,0|1,0,0]=3 5005 B11R0.42 COCCCCSC(C)C(=O)N 62a_100000730899_100000702099 [0,2,0,0,0,0|1,0,0]=3 5006 B11R0.42 COCCCCSC(F)C(=O)N 62a_100000730899_100009813875 [0,2,0,0,0,0|2,0,0]=4 5007 B11R0.42 COCCCCSC(F)C(=O)N 62a_100009813875_100000730899 [0,2,0,0,0,0|2,0,0]=4 5008 B11R0.42 COCCCCSC(F)C(=O)[O-] 62a_100000730899_100020610796 [0,2,0,0,0,0|1,0,1]=4 5009 B11R0.42 COCCCCSC(F)C(=O)[O-] 62a_100020610796_100000730899 [0,2,0,0,0,0|1,0,1]=4 5010 B11R0.42 COCCCNCC(C)C(=O)O 269956a_100000749485_100000740836 [0,2,0,0,0,0|0,0,0]=2 5011 B11R0.42 COCCCNCC(F)C(=O)O 269956a_100000084737_100000740836 [0,2,0,0,0,0|1,0,0]=3 5012 B11R0.42 COCCCOCC(C)C(=O)C 34a_100000032740_100000740836 [0,2,0,0,0,0|1,0,0]=3 5013 B11R0.42 COCCCOCC(C)C(=O)C 7a_100000032740_100000740836 [0,2,0,0,0,0|1,0,0]=3 5014 B11R0.42 COCCCOCC(C)[N+](=O)[O-] 34a_100000039676_100000740836 [0,2,0,0,0,0|1,0,1]=4 5015 B11R0.42 COCCCOCC(C)[N+](=O)[O-] 7a_100000039676_100000740836 [0,2,0,0,0,0|1,0,1]=4 5016 B11R0.42 COCCCOC[C@H](N)C(=O)N 34a_100000729942_100000740836 [0,2,0,0,0,0|2,0,0]=4 5017 B11R0.42 COCCOCN[C@@H](C)C(=O)O 269956a_100000743915_100000231047 [0,2,0,0,0,0|1,0,0]=3 5018 B11R0.42 COCCOCN[C@H](C)C(=O)N 2230a_100000119354_100000231047 [0,2,0,0,0,0|2,0,0]=4 5019 B11R0.42 COCCOCSC(C)C(=O)C 62a_100000231047_100009814033 [0,2,0,0,0,0|2,0,0]=4 5020 B11R0.42 COCCOCSC(C)C(=O)C 62a_100009814033_100000231047 [0,2,0,0,0,0|2,0,0]=4 5021 B11R0.42 COCCOCSC(C)C(=O)N 62a_100000231047_100000702099 [0,2,0,0,0,0|2,0,0]=4 5022 B11R0.42 COCCOCSC(C)C(=O)N 62a_100000702099_100000231047 [0,2,0,0,0,0|2,0,0]=4 5023 B11R0.42 CSCCCCOC(C)C(=O)C 7a_100011217163_100000179758 [0,2,0,0,0,0|1,0,0]=3 5024 B11R0.42 CSCCCCOC(C)C(=O)N 34a_100011217163_100000702099 [0,2,0,0,0,0|1,0,0]=3 5025 B11R0.42 CSCCCCOC(C)C(=O)N 7a_100011217163_100000702099 [0,2,0,0,0,0|1,0,0]=3 5026 B11R0.42 CSCCCCOC(F)C(=O)N 34a_100011217163_100009813875 [0,2,0,0,0,0|2,0,0]=4 5027 B11R0.42 CSCCCCOC(F)C(=O)N 7a_100011217163_100009813875 [0,2,0,0,0,0|2,0,0]=4 5028 B11R0.42 CSCCCCOC(F)C(=O)[O-] 34a_100011217163_100020610796 [0,2,0,0,0,0|1,0,1]=4 5029 B11R0.42 C[C@@H](NCCCCC#N)C(=O)N 2230a_100000119354_100000211819 [0,2,0,0,0,0|1,0,1]=4 5030 B11R0.42 C[C@@H](NCCCCC=O)C(=O)N 2230a_100000119354_100000139335 [0,2,0,0,0,0|1,0,1]=4 5031 B11R0.42 C[C@@H](NCCCCCF)C(=O)N 2230a_100000119354_100000729378 [0,2,0,0,0,0|1,0,0]=3 5032 B11R0.42 C[C@@H](NCCCCCF)C(=O)N 34a_100000119354_100000729378 [0,2,0,0,0,0|1,0,0]=3 5033 B11R0.42 C[C@@H](NCCCCCO)C(=O)N 2230a_100000119354_100000746330 [0,2,0,0,0,0|1,0,0]=3 5034 B11R0.42 C[C@@H](NCCCCCO)C(=O)N 34a_100000119354_100000746330 [0,2,0,0,0,0|1,0,0]=3 5035 B11R0.42 C[C@@H](NCCOCCO)C(=O)N 2230a_100000119354_100011215305 [0,2,0,0,0,0|2,0,0]=4 5036 B11R0.42 C[C@@H](NCCOCCO)C(=O)N 34a_100000119354_100000692535 [0,2,0,0,0,0|2,0,0]=4 5037 B11R0.42 C[C@@H](OCCCCC#N)C(=O)N 7a_100000731257_100000211819 [0,2,0,0,0,0|1,0,1]=4 5038 B11R0.42 C[C@@H](OCCCCC=O)C(=O)N 7a_100000731257_100000139335 [0,2,0,0,0,0|1,0,1]=4 5039 B11R0.42 C[C@@H](OCCCCCF)C(=O)N 34a_100000731257_100000729378 [0,2,0,0,0,0|1,0,0]=3 5040 B11R0.42 C[C@@H](OCCCCCF)C(=O)N 7a_100000731257_100000729378 [0,2,0,0,0,0|1,0,0]=3 5041 B11R0.42 C[C@@H](OCCCCCO)C(=O)N 34a_100000731257_100000746330 [0,2,0,0,0,0|1,0,0]=3 5042 B11R0.42 C[C@@H](OCCCCCO)C(=O)N 7a_100000731257_100000746330 [0,2,0,0,0,0|1,0,0]=3 5043 B11R0.42 C[C@@H](OCCOCCO)C(=O)N 34a_100000731257_100000692535 [0,2,0,0,0,0|2,0,0]=4 5044 B11R0.42 C[C@@H](OCCOCCO)C(=O)N 7a_100000731257_100011215305 [0,2,0,0,0,0|2,0,0]=4 5045 B11R0.42 C[C@H](NCCCCC#N)C(=O)O 269956a_100000743915_100011219923 [0,2,0,0,0,0|0,0,1]=3 5046 B11R0.42 C[C@H](NCCCCC=O)C(=O)O 269956a_100000743915_100000139335 [0,2,0,0,0,0|0,0,1]=3 5047 B11R0.42 C[C@H](NCCCCCF)C(=O)O 269956a_100000743915_100000729378 [0,2,0,0,0,0|0,0,0]=2 5048 B11R0.42 C[C@H](NCCCCCO)C(=O)O 269956a_100000743915_100000746330 [0,2,0,0,0,0|0,0,0]=2 5049 B11R0.42 C[C@H](NCCOCC#N)C(=O)O 269956a_100000743915_200000047693 [0,2,0,0,0,0|1,0,1]=4 5050 B11R0.42 C[C@H](NCCOCCO)C(=O)O 269956a_100000743915_100011215305 [0,2,0,0,0,0|1,0,0]=3 5051 B11R0.42 C[C@H](OCCCCC#N)C(=O)[O-] 7a_217856618621_100000211819 [0,2,0,0,0,0|0,0,2]=4 5052 B11R0.42 C[C@H](OCCCCC=O)C(=O)[O-] 7a_217856618621_100000139335 [0,2,0,0,0,0|0,0,2]=4 5053 B11R0.42 C[C@H](OCCCCCF)C(=O)[O-] 7a_217856618621_100000729378 [0,2,0,0,0,0|0,0,1]=3 5054 B11R0.42 C[C@H](OCCCCCO)C(=O)[O-] 7a_217856618621_100000746330 [0,2,0,0,0,0|0,0,1]=3 5055 B11R0.42 C[C@H](OCCOCCO)C(=O)[O-] 7a_217856618621_100011215305 [0,2,0,0,0,0|1,0,1]=4 5056 B11R0.42 N#CCCCNCC(F)C(=O)O 269956a_100000084737_100000687738 [0,2,0,0,0,0|1,0,1]=4 5057 B11R0.42 NC(=O)C(F)NCCCCCO 2230a_100000762737_100009813875 [0,2,0,0,0,0|2,0,0]=4 5058 B11R0.42 NC(=O)C(F)NCCCCCO 34a_100000762737_100009813875 [0,2,0,0,0,0|2,0,0]=4 5059 B11R0.42 NC(=O)C(F)OCCCCCBr 34a_100000746331_100009813875 [0,2,0,0,0,0|2,0,0]=4 5060 B11R0.42 NC(=O)C(F)OCCCCCBr 7a_100000746331_100009813875 [0,2,0,0,0,0|2,0,0]=4 5061 B11R0.42 NC(=O)C(F)OCCCCCCl 34a_100000746330_100009813875 [0,2,0,0,0,0|2,0,0]=4 5062 B11R0.42 NC(=O)C(F)OCCCCCCl 7a_100000746330_100009813875 [0,2,0,0,0,0|2,0,0]=4 5063 B11R0.42 NC(=O)C(F)OCCCCCI 34a_200012148887_100009813875 [0,2,0,0,0,0|2,0,0]=4 5064 B11R0.42 NC(=O)C(F)OCCCCCI 7a_200012148887_100009813875 [0,2,0,0,0,0|2,0,0]=4 5065 B11R0.42 NC(=O)C(F)SCCCCCF 62a_100000729378_100009813875 [0,2,0,0,0,0|2,0,0]=4 5066 B11R0.42 NC(=O)C(F)SCCCCCF 62a_100009813875_100000729378 [0,2,0,0,0,0|2,0,0]=4 5067 B11R0.42 NC(=O)C(F)SCCCCCO 62a_100000746330_100009813875 [0,2,0,0,0,0|2,0,0]=4 5068 B11R0.42 NC(=O)C(F)SCCCCCO 62a_100009813875_100000746330 [0,2,0,0,0,0|2,0,0]=4 5069 B11R0.42 NC(=O)[C@@H](N)COCCCCF 34a_100000729942_100000729493 [0,2,0,0,0,0|2,0,0]=4 5070 B11R0.42 NC(=O)[C@@H](N)COCCCCO 34a_100000729942_100011216708 [0,2,0,0,0,0|2,0,0]=4 5071 B11R0.42 NCCCCCOC(F)C(=O)N 34a_100000762737_100009813875 [0,2,0,0,0,0|2,0,0]=4 5072 B11R0.42 NCCCCCOC(F)C(=O)[O-] 34a_100000762737_100020610796 [0,2,0,0,0,0|1,0,1]=4 5073 B11R0.42 O=C(O)C(F)CNCCCCF 269956a_100000084737_100000729493 [0,2,0,0,0,0|1,0,0]=3 5074 B11R0.42 O=C(O)C(F)CNCCCCO 269956a_100000084737_100000210776 [0,2,0,0,0,0|1,0,0]=3 5075 B11R0.42 O=C([O-])C(F)NCCCCCO 34a_100000762737_100020610796 [0,2,0,0,0,0|1,0,1]=4 5076 B11R0.42 O=C([O-])C(F)OCCCCCBr 34a_100000746331_100020610796 [0,2,0,0,0,0|1,0,1]=4 5077 B11R0.42 O=C([O-])C(F)OCCCCCCl 34a_100000746330_100020610796 [0,2,0,0,0,0|1,0,1]=4 5078 B11R0.42 O=C([O-])C(F)OCCCCCI 34a_200012148887_100020610796 [0,2,0,0,0,0|1,0,1]=4 5079 B11R0.42 O=C([O-])C(F)SCCCCCF 62a_100000729378_100020610796 [0,2,0,0,0,0|1,0,1]=4 5080 B11R0.42 O=C([O-])C(F)SCCCCCF 62a_100020610796_100000729378 [0,2,0,0,0,0|1,0,1]=4 5081 B11R0.42 O=C([O-])C(F)SCCCCCO 62a_100000746330_100020610796 [0,2,0,0,0,0|1,0,1]=4 5082 B11R0.42 O=C([O-])C(F)SCCCCCO 62a_100020610796_100000746330 [0,2,0,0,0,0|1,0,1]=4 5083 B11R0.42 O=CCCCNCC(F)C(=O)O 269956a_100000084737_200011292268 [0,2,0,0,0,0|1,0,1]=4 5084 B11R0.76 C#CCCCNC(CO)C(=O)O 269956a_100000187304_100011215417 [0,2,0,0,0,0|0,0,2]=4 5085 B11R0.76 C#CCCCN[C@H](CC)C(=O)O 269956a_100000747097_100011215417 [0,2,0,0,0,0|0,0,2]=4 5086 B11R0.76 C=CCCCNC(CO)C(=O)O 269956a_100000187304_100011713584 [0,2,0,0,0,0|0,0,2]=4 5087 B11R0.76 C=CCCCN[C@H](CC)C(=O)O 269956a_100000747097_100011713584 [0,2,0,0,0,0|0,0,2]=4 5088 B11R0.76 C=C[C@H](NCCCCC)C(=O)O 269956a_100016992060_100000210326 [0,2,0,0,0,0|0,0,1]=3 5089 B11R0.76 C=C[C@H](NCCCCF)C(=O)O 269956a_100016992060_100000729493 [0,2,0,0,0,0|1,0,1]=4 5090 B11R0.76 C=C[C@H](NCCCCO)C(=O)O 269956a_100016992060_100000210776 [0,2,0,0,0,0|1,0,1]=4 5091 B11R0.76 C=C[C@H](NCCCOC)C(=O)O 269956a_100016992060_100000740836 [0,2,0,0,0,0|1,0,1]=4 5092 B11R0.76 C=C[C@H](NCCOCC)C(=O)O 269956a_100016992060_100000210147 [0,2,0,0,0,0|1,0,1]=4 5093 B11R0.76 C=C[C@H](NCCSCC)C(=O)O 269956a_100016992060_100000757381 [0,2,0,0,0,0|1,0,1]=4 5094 B11R0.76 CC/C=C\CNC(CO)C(=O)O 269956a_100000187304_100103147603 [0,2,0,0,0,0|0,0,2]=4 5095 B11R0.76 CC/C=C\CN[C@H](CC)C(=O)O 269956a_100000747097_100103147603 [0,2,0,0,0,0|0,0,2]=4 5096 B11R0.76 CCC#CCNC(CO)C(=O)O 269956a_100000187304_100009813939 [0,2,0,0,0,0|0,0,2]=4 5097 B11R0.76 CCC#CCN[C@H](CC)C(=O)O 269956a_100000747097_100009813939 [0,2,0,0,0,0|0,0,2]=4 5098 B11R0.76 CCC(NCCCCF)C(=O)N 2230a_100000733705_100000729493 [0,2,0,0,0,0|2,0,0]=4 5099 B11R0.76 CCC(NCCCCF)C(=O)N 34a_100000733705_100000729493 [0,2,0,0,0,0|2,0,0]=4 5100 B11R0.76 CCC(NCCCCO)C(=O)N 2230a_100000733705_100000210776 [0,2,0,0,0,0|2,0,0]=4 5101 B11R0.76 CCC(NCCCCO)C(=O)N 2230a_100000750430_100000750255 [0,2,0,0,0,0|2,0,0]=4 5102 B11R0.76 CCC(NCCCCO)C(=O)N 34a_100000733705_100011216708 [0,2,0,0,0,0|2,0,0]=4 5103 B11R0.76 CCC(NCCCCO)C(=O)N 34a_100000750430_100000750255 [0,2,0,0,0,0|2,0,0]=4 5104 B11R0.76 CCC(NCCCOC)C(=O)N 2230a_100000733705_100000740836 [0,2,0,0,0,0|2,0,0]=4 5105 B11R0.76 CCC(NCCCOC)C(=O)N 34a_100000733705_100000740836 [0,2,0,0,0,0|2,0,0]=4 5106 B11R0.76 CCC(NCCCOC)C(=O)N 34a_100150723488_100000750255 [0,2,0,0,0,0|2,0,0]=4 5107 B11R0.76 CCC(NCCCSC)C(=O)N 2230a_100000749238_100000750255 [0,2,0,0,0,0|2,0,0]=4 5108 B11R0.76 CCC(OCCCCBr)C(=O)N 34a_100011216708_100000750255 [0,2,0,0,0,0|2,0,0]=4 5109 B11R0.76 CCC(OCCCCCl)C(=O)N 34a_100000210776_100000750255 [0,2,0,0,0,0|2,0,0]=4 5110 B11R0.76 CCC(OCCCCCl)C(=O)N 7a_100000210776_100000750255 [0,2,0,0,0,0|2,0,0]=4 5111 B11R0.76 CCC(OCCCCF)C(=O)N 34a_100011995726_100000750255 [0,2,0,0,0,0|2,0,0]=4 5112 B11R0.76 CCC(OCCCCF)C(=O)N 7a_100011995726_100000750255 [0,2,0,0,0,0|2,0,0]=4 5113 B11R0.76 CCC(OCCCCI)C(=O)N 34a_200012148704_100000750255 [0,2,0,0,0,0|2,0,0]=4 5114 B11R0.76 CCC(OCCCCN)C(=O)N 34a_100000750430_100000750255 [0,2,0,0,0,0|2,0,0]=4 5115 B11R0.76 CCC(OCCCNC)C(=O)N 34a_100000213112_100000750255 [0,2,0,0,0,0|2,0,0]=4 5116 B11R0.76 CCC(OCCCOC)C(=O)N 34a_100000740835_100000750255 [0,2,0,0,0,0|2,0,0]=4 5117 B11R0.76 CCC(OCCCSC)C(=O)N 34a_100000690336_100000750255 [0,2,0,0,0,0|2,0,0]=4 5118 B11R0.76 CCC(OCCCSC)C(=O)N 7a_100000690336_100000750255 [0,2,0,0,0,0|2,0,0]=4 5119 B11R0.76 CCC(SCCCCF)C(=O)N 62a_100000729493_100000750255 [0,2,0,0,0,0|2,0,0]=4 5120 B11R0.76 CCC(SCCCCF)C(=O)N 62a_100000750255_100000729493 [0,2,0,0,0,0|2,0,0]=4 5121 B11R0.76 CCC(SCCCCO)C(=O)N 62a_100000210776_100000750255 [0,2,0,0,0,0|2,0,0]=4 5122 B11R0.76 CCC(SCCCCO)C(=O)N 62a_100000750255_100000210776 [0,2,0,0,0,0|2,0,0]=4 5123 B11R0.76 CCC(SCCCOC)C(=O)N 62a_100000709357_100000750255 [0,2,0,0,0,0|2,0,0]=4 5124 B11R0.76 CCC(SCCCOC)C(=O)N 62a_100000750255_100000709357 [0,2,0,0,0,0|2,0,0]=4 5125 B11R0.76 CCCCCNC(C#N)C(=O)N 2230a_100000039599_100000210326 [0,2,0,0,0,0|1,0,1]=4 5126 B11R0.76 CCCCCNC(CC)C(=O)N 2230a_100000209983_100000750255 [0,2,0,0,0,0|1,0,0]=3 5127 B11R0.76 CCCCCNC(CC)C(=O)N 2230a_100000733705_100000210326 [0,2,0,0,0,0|1,0,0]=3 5128 B11R0.76 CCCCCNC(CC)C(=O)N 34a_100000733705_100000718602 [0,2,0,0,0,0|1,0,0]=3 5129 B11R0.76 CCCCCNC(CO)C(=O)O 269956a_100000187304_100000210326 [0,2,0,0,0,0|0,0,0]=2 5130 B11R0.76 CCCCCN[C@@H](CC)[C@@H](C)O 2230a_100161114882_100000210326 [0,2,0,0,0,0|1,0,1]=4 5131 B11R0.76 CCCCCN[C@@H](CC)[C@@H](C)O 34a_100161114882_100000718602 [0,2,0,0,0,0|1,0,1]=4 5132 B11R0.76 CCCCCN[C@@H](CO)C(=O)N 2230a_100000729942_100000210326 [0,2,0,0,0,0|1,0,0]=3 5133 B11R0.76 CCCCCN[C@@H](CO)C(=O)N 34a_100000729942_100000718602 [0,2,0,0,0,0|1,0,0]=3 5134 B11R0.76 CCCCCN[C@H](CC)C(=O)O 269956a_100000747097_100000210326 [0,2,0,0,0,0|0,0,0]=2 5135 B11R0.76 CCCCCN[C@H](CO)[C@@H](C)O 2230a_100015196842_100000210326 [0,2,0,0,0,0|1,0,1]=4 5136 B11R0.76 CCCCCN[C@H](CO)[C@@H](C)O 34a_100015196842_100000718602 [0,2,0,0,0,0|1,0,1]=4 5137 B11R0.76 CCCCCOC(CC)C(=O)N 34a_100000210253_100000750255 [0,2,0,0,0,0|1,0,0]=3 5138 B11R0.76 CCCCCOC(CC)C(=O)N 7a_100000210253_100000750255 [0,2,0,0,0,0|1,0,0]=3 5139 B11R0.76 CCCCCSC(CC)C(=O)N 62a_100000210326_100000750255 [0,2,0,0,0,0|1,0,0]=3 5140 B11R0.76 CCCCCSC(CC)C(=O)N 62a_100000750255_100000210326 [0,2,0,0,0,0|1,0,0]=3 5141 B11R0.76 CCOCCNC(CC)C(=O)N 2230a_100000733705_100011215890 [0,2,0,0,0,0|2,0,0]=4 5142 B11R0.76 CCOCCNC(CC)C(=O)N 2230a_102516460346_100000750255 [0,2,0,0,0,0|2,0,0]=4 5143 B11R0.76 CCOCCNC(CC)C(=O)N 34a_100000733705_100000210147 [0,2,0,0,0,0|2,0,0]=4 5144 B11R0.76 CCOCCNC(CC)C(=O)N 34a_102516460346_100000750255 [0,2,0,0,0,0|2,0,0]=4 5145 B11R0.76 CCOCCNC(CO)C(=O)O 269956a_100000187304_100000210147 [0,2,0,0,0,0|1,0,0]=3 5146 B11R0.76 CCOCCN[C@@H](CO)C(=O)N 2230a_100000729942_100011215890 [0,2,0,0,0,0|2,0,0]=4 5147 B11R0.76 CCOCCN[C@@H](CO)C(=O)N 34a_100000729942_100000210147 [0,2,0,0,0,0|2,0,0]=4 5148 B11R0.76 CCOCCN[C@H](CC)C(=O)O 269956a_100000747097_100000210147 [0,2,0,0,0,0|1,0,0]=3 5149 B11R0.76 CCOCCOC(CC)C(=O)N 34a_100000210136_100000750255 [0,2,0,0,0,0|2,0,0]=4 5150 B11R0.76 CCOCCOC(CC)C(=O)N 7a_100000210136_100000750255 [0,2,0,0,0,0|2,0,0]=4 5151 B11R0.76 CCOCCSC(CC)C(=O)N 62a_100000210147_100000750255 [0,2,0,0,0,0|2,0,0]=4 5152 B11R0.76 CCOCCSC(CC)C(=O)N 62a_100000750255_100011215890 [0,2,0,0,0,0|2,0,0]=4 5153 B11R0.76 CCSCCNC(CC)C(=O)N 2230a_100000106463_100000750255 [0,2,0,0,0,0|2,0,0]=4 5154 B11R0.76 CCSCCNC(CC)C(=O)N 2230a_100000733705_100000757381 [0,2,0,0,0,0|2,0,0]=4 5155 B11R0.76 CCSCCNC(CC)C(=O)N 34a_100000733705_100000757381 [0,2,0,0,0,0|2,0,0]=4 5156 B11R0.76 CCSCCNC(CO)C(=O)O 269956a_100000187304_100000757381 [0,2,0,0,0,0|1,0,0]=3 5157 B11R0.76 CCSCCN[C@@H](CO)C(=O)N 2230a_100000729942_100000757381 [0,2,0,0,0,0|2,0,0]=4 5158 B11R0.76 CCSCCN[C@@H](CO)C(=O)N 34a_100000729942_100000757381 [0,2,0,0,0,0|2,0,0]=4 5159 B11R0.76 CCSCCN[C@H](CC)C(=O)O 269956a_100000747097_100000757381 [0,2,0,0,0,0|1,0,0]=3 5160 B11R0.76 CCSCCOC(CC)C(=O)N 34a_100000212035_100000750255 [0,2,0,0,0,0|2,0,0]=4 5161 B11R0.76 CCSCCOC(CC)C(=O)N 7a_100000212035_100000750255 [0,2,0,0,0,0|2,0,0]=4 5162 B11R0.76 CCSCCSC(CC)C(=O)N 62a_100000750255_100000757381 [0,2,0,0,0,0|2,0,0]=4 5163 B11R0.76 CCSCCSC(CC)C(=O)N 62a_100000757381_100000750255 [0,2,0,0,0,0|2,0,0]=4 5164 B11R0.76 CC[C@@H](NCCCC#N)C(=O)O 269956a_100000747097_100000687738 [0,2,0,0,0,0|1,0,1]=4 5165 B11R0.76 CC[C@@H](NCCCC=O)C(=O)O 269956a_100000747097_200011292268 [0,2,0,0,0,0|1,0,1]=4 5166 B11R0.76 CC[C@@H](NCCCCF)C(=O)O 269956a_100000747097_100000729493 [0,2,0,0,0,0|1,0,0]=3 5167 B11R0.76 CC[C@@H](NCCCCO)C(=O)O 269956a_100000747097_100000210776 [0,2,0,0,0,0|1,0,0]=3 5168 B11R0.76 CC[C@@H](NCCCOC)C(=O)O 269956a_100000747097_100000740836 [0,2,0,0,0,0|1,0,0]=3 5169 B11R0.76 COCCCNC(CO)C(=O)O 269956a_100000187304_100000740836 [0,2,0,0,0,0|1,0,0]=3 5170 B11R0.76 COCCCN[C@@H](CO)C(=O)N 2230a_100000729942_100000740836 [0,2,0,0,0,0|2,0,0]=4 5171 B11R0.76 COCCCN[C@@H](CO)C(=O)N 34a_100000729942_100000740836 [0,2,0,0,0,0|2,0,0]=4 5172 B11R0.76 N#CCCCNC(CO)C(=O)O 269956a_100000187304_100000687738 [0,2,0,0,0,0|1,0,1]=4 5173 B11R0.76 NC(=O)[C@H](CO)NCCCCF 2230a_100000729942_100000729493 [0,2,0,0,0,0|2,0,0]=4 5174 B11R0.76 NC(=O)[C@H](CO)NCCCCF 34a_100000729942_100000729493 [0,2,0,0,0,0|2,0,0]=4 5175 B11R0.76 NC(=O)[C@H](CO)NCCCCO 2230a_100000729942_100000210776 [0,2,0,0,0,0|2,0,0]=4 5176 B11R0.76 NC(=O)[C@H](CO)NCCCCO 34a_100000729942_100011216708 [0,2,0,0,0,0|2,0,0]=4 5177 B11R0.76 O=C(O)C(CO)NCCCCF 269956a_100000187304_100000729493 [0,2,0,0,0,0|1,0,0]=3 5178 B11R0.76 O=C(O)C(CO)NCCCCO 269956a_100000187304_100000210776 [0,2,0,0,0,0|1,0,0]=3 5179 B11R0.76 O=CCCCNC(CO)C(=O)O 269956a_100000187304_200011292268 [0,2,0,0,0,0|1,0,1]=4 5180 B11R0.109 C=C(C)C(C)NCCC(C)CC 269862a_100020591266_100011216138 [0,2,0,0,0,0|2,0,0]=4 5181 B11R0.109 C=CC(O)CNCC(C)C(=O)O 269956a_100000749485_100000730141 [0,2,0,0,0,0|0,0,2]=4 5182 B11R0.109 CC(=O)C(C)COCC(O)CO 34a_100000032740_100011219619 [0,2,0,0,0,0|2,0,0]=4 5183 B11R0.109 CC(=O)C(C)COCC(O)CO 7a_100000032740_100011219619 [0,2,0,0,0,0|2,0,0]=4 5184 B11R0.109 CC(=O)C(C)COC[C@@H](C)CO 34a_100000032740_100000059175 [0,2,0,0,0,0|2,0,0]=4 5185 B11R0.109 CC(=O)C(C)COC[C@@H](C)CO 7a_100000032740_100000059175 [0,2,0,0,0,0|2,0,0]=4 5186 B11R0.109 CC(=O)C(C)COC[C@@H](O)CF 34a_100000032740_100015614560 [0,2,0,0,0,0|2,0,0]=4 5187 B11R0.109 CC(=O)C(C)COC[C@@H](O)CF 7a_100000032740_100015614560 [0,2,0,0,0,0|2,0,0]=4 5188 B11R0.109 CC(=O)C(C)COC[C@@H](O)CO 34a_100000032740_100009815848 [0,2,0,0,0,0|2,0,0]=4 5189 B11R0.109 CC(=O)C(C)COC[C@@H](O)CO 7a_100000032740_100009815848 [0,2,0,0,0,0|2,0,0]=4 5190 B11R0.109 CC(=O)C(C)NCCC(C)CO 2230a_106354213184_100009814033 [0,2,0,0,0,0|2,0,0]=4 5191 B11R0.109 CC(CNCC(O)CO)C(=O)O 269956a_100000749485_100011219619 [0,2,0,0,0,0|1,0,0]=3 5192 B11R0.109 CC(CNC[C@@H](C)CO)C(=O)O 269956a_100000749485_100000059175 [0,2,0,0,0,0|1,0,0]=3 5193 B11R0.109 CC(CNC[C@@H](O)CF)C(=O)O 269956a_100000749485_100015614560 [0,2,0,0,0,0|1,0,0]=3 5194 B11R0.109 CC(CNC[C@@H](O)CO)C(=O)O 269956a_100000749485_100009815848 [0,2,0,0,0,0|1,0,0]=3 5195 B11R0.109 CC(CO)CCNC(C)C(=O)N 2230a_106354213184_100000702099 [0,2,0,0,0,0|2,0,0]=4 5196 B11R0.109 CC(CO)CCNC(C)C(=O)N 34a_106354213184_100000702099 [0,2,0,0,0,0|2,0,0]=4 5197 B11R0.109 CCC(=O)CNCC(C)C(=O)O 269956a_100000749485_100000747405 [0,2,0,0,0,0|0,0,1]=3 5198 B11R0.109 CCC(=O)CNCC(F)C(=O)O 269956a_100000084737_100000747405 [0,2,0,0,0,0|1,0,1]=4 5199 B11R0.109 CCC(=O)COCC(C)C(=O)C 7a_100000032740_100000747405 [0,2,0,0,0,0|1,0,1]=4 5200 B11R0.109 CCC(C)CCNC(C)C(=O)C 2230a_100020591266_100009814033 [0,2,0,0,0,0|1,0,0]=3 5201 B11R0.109 CCC(C)CCNC(C)C(=O)N 2230a_100020591266_100000702099 [0,2,0,0,0,0|1,0,0]=3 5202 B11R0.109 CCC(C)CCNC(F)C(=O)N 2230a_100020591266_100009813875 [0,2,0,0,0,0|2,0,0]=4 5203 B11R0.109 CCC(C)CCOC(C)C(=O)C 7a_100011215188_100000179758 [0,2,0,0,0,0|1,0,0]=3 5204 B11R0.109 CCC(C)CCOC(C)C(=O)N 7a_100011215188_100000702099 [0,2,0,0,0,0|1,0,0]=3 5205 B11R0.109 CCC(C)CCOC(F)C(=O)N 7a_100011215188_100009813875 [0,2,0,0,0,0|2,0,0]=4 5206 B11R0.109 CCC(C)CNCC(C)C(=O)O 269956a_100000749485_100000748023 [0,2,0,0,0,0|0,0,0]=2 5207 B11R0.109 CCC(C)CNCC(F)C(=O)O 269956a_100000084737_100000748023 [0,2,0,0,0,0|1,0,0]=3 5208 B11R0.109 CCC(C)COCC(C)C(=O)C 34a_100000032740_100000748023 [0,2,0,0,0,0|1,0,0]=3 5209 B11R0.109 CCC(C)COCC(C)C(=O)C 7a_100000032740_100000748023 [0,2,0,0,0,0|1,0,0]=3 5210 B11R0.109 CCC(C)COCC(C)[N+](=O)[O-] 34a_100000039676_100000748023 [0,2,0,0,0,0|1,0,1]=4 5211 B11R0.109 CCC(C)COCC(C)[N+](=O)[O-] 7a_100000039676_100000748023 [0,2,0,0,0,0|1,0,1]=4 5212 B11R0.109 CCC(C)COC[C@H](N)C(=O)N 34a_100000729942_100000748023 [0,2,0,0,0,0|2,0,0]=4 5213 B11R0.109 CCC(O)CNCC(C)C(=O)O 269956a_100000749485_100011218378 [0,2,0,0,0,0|0,0,0]=2 5214 B11R0.109 CCC(O)CNCC(F)C(=O)O 269956a_100000084737_100011218378 [0,2,0,0,0,0|1,0,0]=3 5215 B11R0.109 CCC(O)COCC(C)C(=O)C 34a_100000032740_100011218378 [0,2,0,0,0,0|1,0,0]=3 5216 B11R0.109 CCC(O)COCC(C)C(=O)C 7a_100000032740_100011218378 [0,2,0,0,0,0|1,0,0]=3 5217 B11R0.109 CCC(O)COCC(C)[N+](=O)[O-] 34a_100000039676_100011218378 [0,2,0,0,0,0|1,0,1]=4 5218 B11R0.109 CCC(O)COCC(C)[N+](=O)[O-] 7a_100000039676_100011218378 [0,2,0,0,0,0|1,0,1]=4 5219 B11R0.109 CCC(O)COC[C@H](N)C(=O)N 34a_100000729942_100011218378 [0,2,0,0,0,0|2,0,0]=4 5220 B11R0.109 CC[C@H](C)CNCC(C)C(=O)O 269956a_100000749485_100009816398 [0,2,0,0,0,0|0,0,0]=2 5221 B11R0.109 CC[C@H](C)CNCC(F)C(=O)O 269956a_100000084737_100009816398 [0,2,0,0,0,0|1,0,0]=3 5222 B11R0.109 CC[C@H](C)COCC(C)C(=O)C 34a_100000032740_100009816398 [0,2,0,0,0,0|1,0,0]=3 5223 B11R0.109 CC[C@H](C)COCC(C)C(=O)C 7a_100000032740_100009816398 [0,2,0,0,0,0|1,0,0]=3 5224 B11R0.109 CC[C@H](C)COCC(C)[N+](=O)[O-] 34a_100000039676_100009816398 [0,2,0,0,0,0|1,0,1]=4 5225 B11R0.109 CC[C@H](C)COCC(C)[N+](=O)[O-] 7a_100000039676_100009816398 [0,2,0,0,0,0|1,0,1]=4 5226 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 5227 B11R0.109 CNC(=O)CCN[C@@H](C)C(=O)O 269956a_100000743915_100000737683 [0,2,0,0,0,0|1,0,1]=4 5228 B11R0.109 CNC(=O)CNCC(C)C(=O)O 269956a_100000749485_100000183359 [0,2,0,0,0,0|1,0,1]=4 5229 B11R0.109 COC(=O)CCN[C@@H](C)C(=O)O 269956a_100000743915_100000204255 [0,2,0,0,0,0|1,0,1]=4 5230 B11R0.109 COC(=O)CNCC(C)C(=O)O 269956a_100000749485_100000747449 [0,2,0,0,0,0|1,0,1]=4 5231 B11R0.109 COC(C)CCOC(C)C(=O)C 7a_100000764861_100000179758 [0,2,0,0,0,0|2,0,0]=4 5232 B11R0.109 COC(C)CCOC(C)C(=O)N 7a_100000764861_100000702099 [0,2,0,0,0,0|2,0,0]=4 5233 B11R0.109 C[C@@H](CO)CNCC(F)C(=O)O 269956a_100000084737_100000059175 [0,2,0,0,0,0|2,0,0]=4 5234 B11R0.109 O=C(O)C(F)CNCC(O)CO 269956a_100000084737_100011219619 [0,2,0,0,0,0|2,0,0]=4 5235 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 5236 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 5237 B11R0.141 CC(=O)C(C)COC(C)CCO 34a_100000032740_100009893172 [0,2,0,0,0,0|2,0,0]=4 5238 B11R0.141 CC(=O)C(C)COC(C)CCO 7a_100000032740_100009893172 [0,2,0,0,0,0|2,0,0]=4 5239 B11R0.141 CC(CC#N)NCC(C)C(=O)O 269956a_100000749485_100009813641 [0,2,0,0,0,0|1,0,1]=4 5240 B11R0.141 CC(CCN)COC(C)C(=O)N 34a_106354213184_100000702099 [0,2,0,0,0,0|2,0,0]=4 5241 B11R0.141 CC(CCO)NCC(C)C(=O)O 269956a_100000749485_100009893172 [0,2,0,0,0,0|1,0,0]=3 5242 B11R0.141 CC(CCO)NCC(F)C(=O)O 269956a_100000084737_100009893172 [0,2,0,0,0,0|2,0,0]=4 5243 B11R0.141 CCCC(=O)CCN(C)C(=O)C 1458a_100011216537_100000210303 [0,2,0,0,0,0|2,0,0]=4 5244 B11R0.141 CCCC(=O)CN[C@@H](C)C(=O)O 269956a_100000743915_100000747444 [0,2,0,0,0,0|0,0,1]=3 5245 B11R0.141 CCCC(=O)CN[C@H](C)C(=O)N 2230a_100000119354_100000747444 [0,2,0,0,0,0|1,0,1]=4 5246 B11R0.141 CCCC(=O)CO[C@@H](C)C(=O)[O-] 7a_217856618621_100000747444 [0,2,0,0,0,0|0,0,2]=4 5247 B11R0.141 CCCC(=O)CO[C@H](C)C(=O)N 7a_100000731257_100000747444 [0,2,0,0,0,0|1,0,1]=4 5248 B11R0.141 CCCC(=O)CSC(C)C(=O)C 62a_100000747444_100009814033 [0,2,0,0,0,0|1,0,1]=4 5249 B11R0.141 CCCC(=O)CSC(C)C(=O)C 62a_100009814033_100000747444 [0,2,0,0,0,0|1,0,1]=4 5250 B11R0.141 CCCC(=O)CSC(C)C(=O)N 62a_100000702099_100000747444 [0,2,0,0,0,0|1,0,1]=4 5251 B11R0.141 CCCC(=O)CSC(C)C(=O)N 62a_100000747444_100000702099 [0,2,0,0,0,0|1,0,1]=4 5252 B11R0.141 CCCC(C)CN[C@@H](C)C(=O)O 269956a_100000743915_100011216630 [0,2,0,0,0,0|0,0,0]=2 5253 B11R0.141 CCCC(C)CN[C@H](C)C(=O)N 2230a_100000119354_100011216630 [0,2,0,0,0,0|1,0,0]=3 5254 B11R0.141 CCCC(C)CN[C@H](C)C(=O)N 270004a_100000119354_100000243154 [0,2,0,0,0,0|1,0,0]=3 5255 B11R0.141 CCCC(C)CN[C@H](C)C(=O)N 34a_100000119354_100011216630 [0,2,0,0,0,0|1,0,0]=3 5256 B11R0.141 CCCC(C)COC(C)C(=O)C 34a_100000212229_100011216630 [0,2,0,0,0,0|1,0,0]=3 5257 B11R0.141 CCCC(C)COC(C)C(=O)C 7a_100000688023_100000179758 [0,2,0,0,0,0|1,0,0]=3 5258 B11R0.141 CCCC(C)COC(C)C(=O)N 34a_100000688023_100000702099 [0,2,0,0,0,0|1,0,0]=3 5259 B11R0.141 CCCC(C)COC(C)C(=O)N 7a_100000688023_100000702099 [0,2,0,0,0,0|1,0,0]=3 5260 B11R0.141 CCCC(C)COC(F)C(=O)N 34a_100000688023_100009813875 [0,2,0,0,0,0|2,0,0]=4 5261 B11R0.141 CCCC(C)COC(F)C(=O)N 7a_100000688023_100009813875 [0,2,0,0,0,0|2,0,0]=4 5262 B11R0.141 CCCC(C)COC(F)C(=O)[O-] 34a_100000688023_100020610796 [0,2,0,0,0,0|1,0,1]=4 5263 B11R0.141 CCCC(C)CO[C@@H](C)C(=O)[O-] 7a_217856618621_100011216630 [0,2,0,0,0,0|0,0,1]=3 5264 B11R0.141 CCCC(C)CO[C@H](C)C(=O)N 34a_100000731257_100011216630 [0,2,0,0,0,0|1,0,0]=3 5265 B11R0.141 CCCC(C)CO[C@H](C)C(=O)N 7a_100000731257_100011216630 [0,2,0,0,0,0|1,0,0]=3 5266 B11R0.141 CCCC(C)CSC(C)C(=O)C 62a_100009814033_100011216630 [0,2,0,0,0,0|1,0,0]=3 5267 B11R0.141 CCCC(C)CSC(C)C(=O)C 62a_100011216630_100009814033 [0,2,0,0,0,0|1,0,0]=3 5268 B11R0.141 CCCC(C)CSC(C)C(=O)N 62a_100000702099_100011216630 [0,2,0,0,0,0|1,0,0]=3 5269 B11R0.141 CCCC(C)CSC(C)C(=O)N 62a_100011216630_100000702099 [0,2,0,0,0,0|1,0,0]=3 5270 B11R0.141 CCCC(C)CSC(F)C(=O)N 62a_100009813875_100011216630 [0,2,0,0,0,0|2,0,0]=4 5271 B11R0.141 CCCC(C)CSC(F)C(=O)N 62a_100011216630_100009813875 [0,2,0,0,0,0|2,0,0]=4 5272 B11R0.141 CCCC(C)CSC(F)C(=O)[O-] 62a_100011216630_100020610796 [0,2,0,0,0,0|1,0,1]=4 5273 B11R0.141 CCCC(C)CSC(F)C(=O)[O-] 62a_100020610796_100011216630 [0,2,0,0,0,0|1,0,1]=4 5274 B11R0.141 CCCC(C)NCC(C)C(=O)O 269956a_100000749485_100000766640 [0,2,0,0,0,0|0,0,0]=2 5275 B11R0.141 CCCC(C)NCC(F)C(=O)O 269956a_100000084737_100000766640 [0,2,0,0,0,0|1,0,0]=3 5276 B11R0.141 CCCC(C)OCC(C)C(=O)C 34a_100000032740_100000766640 [0,2,0,0,0,0|1,0,0]=3 5277 B11R0.141 CCCC(C)OCC(C)C(=O)C 7a_100000032740_100000766640 [0,2,0,0,0,0|1,0,0]=3 5278 B11R0.141 CCCC(C)OCC(C)[N+](=O)[O-] 34a_100000039676_100000766640 [0,2,0,0,0,0|1,0,1]=4 5279 B11R0.141 CCCC(C)OCC(C)[N+](=O)[O-] 7a_100000039676_100000766640 [0,2,0,0,0,0|1,0,1]=4 5280 B11R0.141 CCCC(C)OC[C@H](N)C(=O)N 34a_100000729942_100000766640 [0,2,0,0,0,0|2,0,0]=4 5281 B11R0.141 CCC[C@H](N)COC(C)C(=O)N 34a_100000732646_100000702099 [0,2,0,0,0,0|1,0,0]=3 5282 B11R0.141 CCC[C@H](N)COC(F)C(=O)N 34a_100000732646_100009813875 [0,2,0,0,0,0|2,0,0]=4 5283 B11R0.141 CCC[C@H](N)COC(F)C(=O)[O-] 34a_100000732646_100020610796 [0,2,0,0,0,0|1,0,1]=4 5284 B11R0.141 CCNC(=O)CN[C@@H](C)C(=O)O 269956a_100000743915_100000183381 [0,2,0,0,0,0|1,0,1]=4 5285 B11R0.141 CCOC(=O)CCC(C)C(=O)C 1458a_100000070787_100000748298 [0,2,0,0,0,0|1,0,1]=4 5286 B11R0.141 CCOC(=O)CN[C@@H](C)C(=O)O 269956a_100000743915_100000188475 [0,2,0,0,0,0|1,0,1]=4 5287 B11R0.141 COCC(C)NCC(C)C(=O)O 269956a_100000749485_100000765312 [0,2,0,0,0,0|1,0,0]=3 5288 B11R0.141 COCC(C)NCC(F)C(=O)O 269956a_100000084737_100000765312 [0,2,0,0,0,0|2,0,0]=4 5289 B11R0.141 COCC(C)OCC(C)C(=O)C 34a_100000032740_100000765312 [0,2,0,0,0,0|2,0,0]=4 5290 B11R0.141 COCC(C)OCC(C)C(=O)C 7a_100000032740_100000765312 [0,2,0,0,0,0|2,0,0]=4 5291 B11R0.141 COCC(N)COC(C)C(=O)N 34a_100000724102_100000702099 [0,2,0,0,0,0|2,0,0]=4 5292 B11R0.141 COCC(O)CNC(C)C(=O)C 2230a_100000756049_100009814033 [0,2,0,0,0,0|2,0,0]=4 5293 B11R0.141 COCC(O)CNC(C)C(=O)N 2230a_100000756049_100000702099 [0,2,0,0,0,0|2,0,0]=4 5294 B11R0.141 COCC(O)CNC(C)C(=O)N 34a_100000756049_100000702099 [0,2,0,0,0,0|2,0,0]=4 5295 B11R0.141 COCC(O)CN[C@@H](C)C(=O)O 269956a_100000743915_100011215053 [0,2,0,0,0,0|1,0,0]=3 5296 B11R0.141 COCC(O)CN[C@H](C)C(=O)N 34a_100000119354_100011215053 [0,2,0,0,0,0|2,0,0]=4 5297 B11R0.141 COCC(O)COC(C)C(=O)C 34a_100000212229_100011215053 [0,2,0,0,0,0|2,0,0]=4 5298 B11R0.141 COCC(O)CO[C@@H](C)C(=O)[O-] 7a_217856618621_100011215053 [0,2,0,0,0,0|1,0,1]=4 5299 B11R0.141 COCC(O)CO[C@H](C)C(=O)N 34a_100000731257_100011215053 [0,2,0,0,0,0|2,0,0]=4 5300 B11R0.141 COCC(O)CO[C@H](C)C(=O)N 7a_100000731257_100011215053 [0,2,0,0,0,0|2,0,0]=4 5301 B11R0.141 COCC(O)CSC(C)C(=O)C 62a_100009814033_100011215053 [0,2,0,0,0,0|2,0,0]=4 5302 B11R0.141 COCC(O)CSC(C)C(=O)C 62a_100011215053_100009814033 [0,2,0,0,0,0|2,0,0]=4 5303 B11R0.141 COCC(O)CSC(C)C(=O)N 62a_100000702099_100011215053 [0,2,0,0,0,0|2,0,0]=4 5304 B11R0.141 COCC(O)CSC(C)C(=O)N 62a_100011215053_100000702099 [0,2,0,0,0,0|2,0,0]=4 5305 B11R0.141 C[C@H](NC[C@@H](O)CC#N)C(=O)O 269956a_100000743915_100000001066 [0,2,0,0,0,0|1,0,1]=4 5306 B11R0.142 C#CC(=O)C(C)CCCCCC 1458a_100000211873_100011215978 [0,2,0,0,0,0|1,0,0]=3 5307 B11R0.142 C#CCCCNC(C)C(=O)OC 34a_100000718082_100000211248 [0,2,0,0,0,0|0,0,2]=4 5308 B11R0.142 C#CCCCOC(C)C(=O)OC 34a_100000215630_100000211248 [0,2,0,0,0,0|0,0,2]=4 5309 B11R0.142 C#CCCCOC(C)C(=O)OC 34a_100011215400_100000695029 [0,2,0,0,0,0|0,0,2]=4 5310 B11R0.142 C#CCCCOC(C)C(=O)OC 7a_100000215630_100000211248 [0,2,0,0,0,0|0,0,2]=4 5311 B11R0.142 C#CCCCSC(C)C(=O)OC 62a_100000211248_100011215417 [0,2,0,0,0,0|0,0,2]=4 5312 B11R0.142 C#CCCCSC(C)C(=O)OC 62a_100011215417_100000211248 [0,2,0,0,0,0|0,0,2]=4 5313 B11R0.142 C#CCCNCC(C)C(=O)OC 34a_100000755551_100000698445 [0,2,0,0,0,0|0,0,2]=4 5314 B11R0.142 C#CCCOCC(C)C(=O)OC 34a_100000749362_100000688953 [0,2,0,0,0,0|0,0,2]=4 5315 B11R0.142 C#CCCOCC(C)C(=O)OC 34a_100011215631_100000698445 [0,2,0,0,0,0|0,0,2]=4 5316 B11R0.142 C#CCCOCC(C)C(=O)OC 7a_100000749362_100000688953 [0,2,0,0,0,0|0,0,2]=4 5317 B11R0.142 C#CCCSCC(C)C(=O)OC 62a_100000688953_100000698445 [0,2,0,0,0,0|0,0,2]=4 5318 B11R0.142 C#CCCSCC(C)C(=O)OC 62a_100000698445_100000688953 [0,2,0,0,0,0|0,0,2]=4 5319 B11R0.142 C#CCNCCC(C)C(=O)OC 34a_100000212058_100000034942 [0,2,0,0,0,0|0,0,2]=4 5320 B11R0.142 C#CCOCCC(C)C(=O)OC 34a_100000210247_100000034942 [0,2,0,0,0,0|0,0,2]=4 5321 B11R0.142 C#CCSCCC(C)C(=O)OC 62a_100000038162_100000034942 [0,2,0,0,0,0|0,0,2]=4 5322 B11R0.142 C/C=C(\C)/C(C)NCCCCC 269862a_100000209983_100020675665 [0,2,0,0,0,0|2,0,0]=4 5323 B11R0.142 C/C=C/CCOC(C)C(=O)OC 34a_100016278192_100000211248 [0,2,0,0,0,0|0,0,2]=4 5324 B11R0.142 C/C=C/COCC(C)C(=O)OC 34a_100000749362_100102629194 [0,2,0,0,0,0|0,0,2]=4 5325 B11R0.142 C/C=C/COCC(C)C(=O)OC 34a_100016270725_100000698445 [0,2,0,0,0,0|0,0,2]=4 5326 B11R0.142 C/C=C/COCC(C)C(=O)OC 7a_100000749362_100102629194 [0,2,0,0,0,0|0,0,2]=4 5327 B11R0.142 C/C=C/CSCC(C)C(=O)OC 62a_100000698445_100102629194 [0,2,0,0,0,0|0,0,2]=4 5328 B11R0.142 C/C=C/CSCC(C)C(=O)OC 62a_100102629194_100000698445 [0,2,0,0,0,0|0,0,2]=4 5329 B11R0.142 C=C(COCCCC)C(=O)OC 34a_100000210227_100009813391 [0,2,0,0,0,0|0,0,2]=4 5330 B11R0.142 C=C(CSCCCC)C(=O)OC 62a_100000210211_100009813391 [0,2,0,0,0,0|0,0,2]=4 5331 B11R0.142 C=C(CSCCCC)C(=O)OC 62a_100009813391_100000210210 [0,2,0,0,0,0|0,0,2]=4 5332 B11R0.142 C=CC(=O)C(C)CCCCCC 1458a_100000185746_100011215978 [0,2,0,0,0,0|1,0,0]=3 5333 B11R0.142 C=CC(=O)N(C)CCCCCC 1626a_106256046315_100000185746 [0,2,0,0,0,0|2,0,0]=4 5334 B11R0.142 C=CC(=O)N(C)CCCCCC 240690a_106256046315_200121576911 [0,2,0,0,0,0|2,0,0]=4 5335 B11R0.142 C=CC(=O)N(C)CCCCCO 240690a_100000722520_200121576911 [0,2,0,0,0,0|2,0,0]=4 5336 B11R0.142 C=CCCCCN(C)C(=O)CO 240690a_100012000471_100000210174 [0,2,0,0,0,0|1,0,1]=4 5337 B11R0.142 C=CCCCCN(C)C(=O)CO 527a_100012000471_100000210174 [0,2,0,0,0,0|1,0,1]=4 5338 B11R0.142 C=CCCCNC(C)C(=O)OC 2230a_100000700776_100000211248 [0,2,0,0,0,0|0,0,2]=4 5339 B11R0.142 C=CCCCNC(C)C(=O)OC 34a_100000700776_100000211248 [0,2,0,0,0,0|0,0,2]=4 5340 B11R0.142 C=CCCCOC(C)C(=O)OC 34a_100000758997_100000211248 [0,2,0,0,0,0|0,0,2]=4 5341 B11R0.142 C=CCCCOC(C)C(=O)OC 34a_100011215400_100000757094 [0,2,0,0,0,0|0,0,2]=4 5342 B11R0.142 C=CCCCOC(C)C(=O)OC 7a_100000758997_100000211248 [0,2,0,0,0,0|0,0,2]=4 5343 B11R0.142 C=CCCCSC(C)C(=O)OC 62a_100000211248_100000757094 [0,2,0,0,0,0|0,0,2]=4 5344 B11R0.142 C=CCCCSC(C)C(=O)OC 62a_100011713584_100000211248 [0,2,0,0,0,0|0,0,2]=4 5345 B11R0.142 C=CCCOCC(C)C(=O)OC 34a_100000749362_100000754431 [0,2,0,0,0,0|0,0,2]=4 5346 B11R0.142 C=CCCOCC(C)C(=O)OC 34a_100011205117_100000698445 [0,2,0,0,0,0|0,0,2]=4 5347 B11R0.142 C=CCCOCC(C)C(=O)OC 7a_100000749362_100000754431 [0,2,0,0,0,0|0,0,2]=4 5348 B11R0.142 C=CCCSCC(C)C(=O)OC 62a_100000698445_100000754431 [0,2,0,0,0,0|0,0,2]=4 5349 B11R0.142 C=CCCSCC(C)C(=O)OC 62a_100000754431_100000698445 [0,2,0,0,0,0|0,0,2]=4 5350 B11R0.142 C=CCNCCC(C)C(=O)OC 2230a_100020586998_100000034942 [0,2,0,0,0,0|0,0,2]=4 5351 B11R0.142 C=CCOCCC(C)C(=O)OC 34a_200000210373_100000034942 [0,2,0,0,0,0|0,0,2]=4 5352 B11R0.142 C=CCSCCC(C)C(=O)OC 62a_100000034942_100000210623 [0,2,0,0,0,0|0,0,2]=4 5353 B11R0.142 C=CCSCCC(C)C(=O)OC 62a_100000210623_100000034942 [0,2,0,0,0,0|0,0,2]=4 5354 B11R0.142 CC#CCCOC(C)C(=O)OC 34a_100000750427_100000211248 [0,2,0,0,0,0|0,0,2]=4 5355 B11R0.142 CC#CCNCC(C)C(=O)OC 34a_100000685387_100000698445 [0,2,0,0,0,0|0,0,2]=4 5356 B11R0.142 CC#CCOCC(C)C(=O)OC 34a_100000749362_100000748600 [0,2,0,0,0,0|0,0,2]=4 5357 B11R0.142 CC#CCOCC(C)C(=O)OC 34a_100000761923_100000698445 [0,2,0,0,0,0|0,0,2]=4 5358 B11R0.142 CC#CCOCC(C)C(=O)OC 7a_100000749362_100000748600 [0,2,0,0,0,0|0,0,2]=4 5359 B11R0.142 CC#CCSCC(C)C(=O)OC 62a_100000698445_100000748600 [0,2,0,0,0,0|0,0,2]=4 5360 B11R0.142 CC#CCSCC(C)C(=O)OC 62a_100000748600_100000698445 [0,2,0,0,0,0|0,0,2]=4 5361 B11R0.142 CC(OCCCCF)C(=O)NN 34a_100000725659_100000729493 [0,2,0,0,0,0|2,0,0]=4 5362 B11R0.142 CC(OCCCCO)C(=O)NN 34a_100000725659_100011216708 [0,2,0,0,0,0|2,0,0]=4 5363 B11R0.142 CC/C=C\COC(C)C(=O)OC 34a_100011215400_100103147603 [0,2,0,0,0,0|0,0,2]=4 5364 B11R0.142 CC/C=C\COC(C)C(=O)OC 34a_100016268518_100000211248 [0,2,0,0,0,0|0,0,2]=4 5365 B11R0.142 CC/C=C\CSC(C)C(=O)OC 62a_100000211248_100103147603 [0,2,0,0,0,0|0,0,2]=4 5366 B11R0.142 CC/C=C\CSC(C)C(=O)OC 62a_100103147603_100000211248 [0,2,0,0,0,0|0,0,2]=4 5367 B11R0.142 CC=CCOCC(C)C(=O)OC 34a_100000749362_100000070051 [0,2,0,0,0,0|0,0,2]=4 5368 B11R0.142 CC=CCOCC(C)C(=O)OC 7a_100000749362_100000070051 [0,2,0,0,0,0|0,0,2]=4 5369 B11R0.142 CC=CCSCC(C)C(=O)OC 62a_100000070051_100000698445 [0,2,0,0,0,0|0,0,2]=4 5370 B11R0.142 CC=CCSCC(C)C(=O)OC 62a_100000698445_100000070051 [0,2,0,0,0,0|0,0,2]=4 5371 B11R0.142 CCC#CCOC(C)C(=O)OC 34a_100000032950_100000211248 [0,2,0,0,0,0|0,0,2]=4 5372 B11R0.142 CCC#CCOC(C)C(=O)OC 34a_100011215400_100009813939 [0,2,0,0,0,0|0,0,2]=4 5373 B11R0.142 CCC#CCSC(C)C(=O)OC 62a_100000211248_100009813939 [0,2,0,0,0,0|0,0,2]=4 5374 B11R0.142 CCC#CCSC(C)C(=O)OC 62a_100009813939_100000211248 [0,2,0,0,0,0|0,0,2]=4 5375 B11R0.142 CCC(=O)C(C)NCCCCO 2230a_100000750430_100000742827 [0,2,0,0,0,0|2,0,0]=4 5376 B11R0.142 CCC(=O)C(C)NCCCSC 2230a_100000749238_100000742827 [0,2,0,0,0,0|2,0,0]=4 5377 B11R0.142 CCC(=O)C(C)OCCCCCl 7a_100000210776_100000742827 [0,2,0,0,0,0|2,0,0]=4 5378 B11R0.142 CCC(=O)C(C)OCCCCF 7a_100011995726_100000742827 [0,2,0,0,0,0|2,0,0]=4 5379 B11R0.142 CCC(=O)C(C)OCCCSC 7a_100000690336_100000742827 [0,2,0,0,0,0|2,0,0]=4 5380 B11R0.142 CCC(=O)C(C)SCCCCF 62a_100000729493_100000742827 [0,2,0,0,0,0|2,0,0]=4 5381 B11R0.142 CCC(=O)C(C)SCCCCF 62a_100000742827_100000729493 [0,2,0,0,0,0|2,0,0]=4 5382 B11R0.142 CCC(=O)C(C)SCCCCO 62a_100000210776_100000742827 [0,2,0,0,0,0|2,0,0]=4 5383 B11R0.142 CCC(=O)C(C)SCCCCO 62a_100000742827_100000210776 [0,2,0,0,0,0|2,0,0]=4 5384 B11R0.142 CCC(=O)C(C)SCCCOC 62a_100000709357_100000742827 [0,2,0,0,0,0|2,0,0]=4 5385 B11R0.142 CCC(=O)C(C)SCCCOC 62a_100000742827_100000709357 [0,2,0,0,0,0|2,0,0]=4 5386 B11R0.142 CCC(=O)N(C)CCCCCO 240690a_100000722520_100000210414 [0,2,0,0,0,0|2,0,0]=4 5387 B11R0.142 CCCCCCC(C)C(=O)CC 1458a_100000210414_100011215978 [0,2,0,0,0,0|1,0,0]=3 5388 B11R0.142 CCCCCCC(C)C(=O)CO 1458a_100000210174_100011215978 [0,2,0,0,0,0|0,0,0]=2 5389 B11R0.142 CCCCCCC(O)C(=O)CC 1458a_100011215828_100000210202 [0,2,0,0,0,0|2,0,0]=4 5390 B11R0.142 CCCCCCC(O)C(=O)CF 1458a_100011215828_100015361967 [0,2,0,0,0,0|2,0,0]=4 5391 B11R0.142 CCCCCCC(O)C(=O)NC 240690a_100102657272_100011215828 [0,2,0,0,0,0|2,0,0]=4 5392 B11R0.142 CCCCCCN(C)C(=O)CC 11a_106256046315_100000210414 [0,2,0,0,0,0|2,0,0]=4 5393 B11R0.142 CCCCCCN(C)C(=O)CC 1626a_106256046315_100000210414 [0,2,0,0,0,0|2,0,0]=4 5394 B11R0.142 CCCCCCN(C)C(=O)CC 240690a_106256046315_100000210414 [0,2,0,0,0,0|2,0,0]=4 5395 B11R0.142 CCCCCCN(C)C(=O)CC 527a_106256046315_100000210414 [0,2,0,0,0,0|2,0,0]=4 5396 B11R0.142 CCCCCCN(C)C(=O)CO 240690a_106256046315_100000210174 [0,2,0,0,0,0|1,0,0]=3 5397 B11R0.142 CCCCCCN(C)C(=O)CO 527a_106256046315_100000210174 [0,2,0,0,0,0|1,0,0]=3 5398 B11R0.142 CCCCCCN(C)C(=O)NC 2708a_100102657272_106256046315 [0,2,0,0,0,0|2,0,0]=4 5399 B11R0.142 CCCCCCN(C)C(=O)NC 273464a_100102657272_106256046315 [0,2,0,0,0,0|2,0,0]=4 5400 B11R0.142 CCCCCNC(=O)C(=O)OC 11a_100000209983_100000024059 [0,2,0,0,0,0|1,0,1]=4 5401 B11R0.142 CCCCCNC(=O)C(=O)OC 1626a_100000209983_100000024059 [0,2,0,0,0,0|1,0,1]=4 5402 B11R0.142 CCCCCNC(=O)C(=O)OC 240690a_100000209983_100000024059 [0,2,0,0,0,0|1,0,1]=4 5403 B11R0.142 CCCCCNC(=O)C(=O)OC 527a_100000209983_100000024059 [0,2,0,0,0,0|1,0,1]=4 5404 B11R0.142 CCCCCNC(C)C(=O)CC 2230a_100000209983_100000742827 [0,2,0,0,0,0|1,0,0]=3 5405 B11R0.142 CCCCCNC(C)C(=O)NC 2230a_100000209983_100000731044 [0,2,0,0,0,0|1,0,0]=3 5406 B11R0.142 CCCCCNC(C)C(=O)OC 2230a_100000209983_100000211248 [0,2,0,0,0,0|0,0,0]=2 5407 B11R0.142 CCCCCNC(F)C(=O)NC 2230a_100000209983_100009813575 [0,2,0,0,0,0|2,0,0]=4 5408 B11R0.142 CCCCCN[C@H](C)C(=O)NC 2230a_100000684985_100000210326 [0,2,0,0,0,0|1,0,0]=3 5409 B11R0.142 CCCCCN[C@H](C)C(=O)NC 34a_100000684985_100000718602 [0,2,0,0,0,0|1,0,0]=3 5410 B11R0.142 CCCCCOC(C)C(=O)CC 7a_100000210253_100000742827 [0,2,0,0,0,0|1,0,0]=3 5411 B11R0.142 CCCCCOC(C)C(=O)NC 34a_100000210253_100000731044 [0,2,0,0,0,0|1,0,0]=3 5412 B11R0.142 CCCCCOC(C)C(=O)NC 7a_100000210253_100000209862 [0,2,0,0,0,0|1,0,0]=3 5413 B11R0.142 CCCCCOC(C)C(=O)NN 34a_100000725659_100000718602 [0,2,0,0,0,0|1,0,0]=3 5414 B11R0.142 CCCCCOC(C)C(=O)OC 34a_100000210253_100000211248 [0,2,0,0,0,0|0,0,0]=2 5415 B11R0.142 CCCCCOC(C)C(=O)OC 34a_100011215400_100000718602 [0,2,0,0,0,0|0,0,0]=2 5416 B11R0.142 CCCCCOC(C)C(=O)OC 7a_100000210253_100000211248 [0,2,0,0,0,0|0,0,0]=2 5417 B11R0.142 CCCCCOC(F)C(=O)NC 34a_100000210253_100009813575 [0,2,0,0,0,0|2,0,0]=4 5418 B11R0.142 CCCCCOC(F)C(=O)NC 7a_100000210253_100009813575 [0,2,0,0,0,0|2,0,0]=4 5419 B11R0.142 CCCCCSC(C)C(=O)CC 62a_100000210326_100000742827 [0,2,0,0,0,0|1,0,0]=3 5420 B11R0.142 CCCCCSC(C)C(=O)CC 62a_100000742827_100000210326 [0,2,0,0,0,0|1,0,0]=3 5421 B11R0.142 CCCCCSC(C)C(=O)NC 62a_100000209862_100000210326 [0,2,0,0,0,0|1,0,0]=3 5422 B11R0.142 CCCCCSC(C)C(=O)NC 62a_100000210326_100000731044 [0,2,0,0,0,0|1,0,0]=3 5423 B11R0.142 CCCCCSC(C)C(=O)OC 62a_100000210326_100000211248 [0,2,0,0,0,0|0,0,0]=2 5424 B11R0.142 CCCCCSC(C)C(=O)OC 62a_100000211248_100000210326 [0,2,0,0,0,0|0,0,0]=2 5425 B11R0.142 CCCCCSC(F)C(=O)NC 62a_100000210326_100009813575 [0,2,0,0,0,0|2,0,0]=4 5426 B11R0.142 CCCCCSC(F)C(=O)NC 62a_100009813575_100000210326 [0,2,0,0,0,0|2,0,0]=4 5427 B11R0.142 CCCCNCC(C)C(=O)NC 2230a_100015187722_100000210211 [0,2,0,0,0,0|1,0,0]=3 5428 B11R0.142 CCCCNCC(C)C(=O)NC 34a_100015187722_100000210210 [0,2,0,0,0,0|1,0,0]=3 5429 B11R0.142 CCCCNN=C(C)C(=O)OC 4a_100025702795_100000211753 [0,2,0,0,0,0|1,0,1]=4 5430 B11R0.142 CCCCOCC(=O)C(=O)OC 34a_100000210227_100011610305 [0,2,0,0,0,0|1,0,1]=4 5431 B11R0.142 CCCCOCC(C)C(=O)OC 34a_100000210227_100000698445 [0,2,0,0,0,0|0,0,0]=2 5432 B11R0.142 CCCCOCC(C)C(=O)OC 34a_100000749362_100000210210 [0,2,0,0,0,0|0,0,0]=2 5433 B11R0.142 CCCCOCC(C)C(=O)OC 7a_100000749362_100000210211 [0,2,0,0,0,0|0,0,0]=2 5434 B11R0.142 CCCCOCC(F)C(=O)OC 34a_200009849844_100000210210 [0,2,0,0,0,0|1,0,0]=3 5435 B11R0.142 CCCCOCC(N)C(=O)NN 34a_100016989258_100000210210 [0,2,0,0,0,0|2,0,0]=4 5436 B11R0.142 CCCCOC[C@@H](N)C(=O)OC 34a_100000003586_100000210210 [0,2,0,0,0,0|1,0,0]=3 5437 B11R0.142 CCCCSCC(=O)C(=O)OC 62a_100000210211_100011610305 [0,2,0,0,0,0|1,0,1]=4 5438 B11R0.142 CCCCSCC(=O)C(=O)OC 62a_100011610305_100000210210 [0,2,0,0,0,0|1,0,1]=4 5439 B11R0.142 CCCCSCC(C)C(=O)OC 62a_100000210211_100000698445 [0,2,0,0,0,0|0,0,0]=2 5440 B11R0.142 CCCCSCC(C)C(=O)OC 62a_100000698445_100000210210 [0,2,0,0,0,0|0,0,0]=2 5441 B11R0.142 CCCOCCC(C)C(=O)OC 34a_100000210258_100000034942 [0,2,0,0,0,0|0,0,0]=2 5442 B11R0.142 CCCSCCC(C)C(=O)OC 62a_100000034942_100000210303 [0,2,0,0,0,0|0,0,0]=2 5443 B11R0.142 CCCSCCC(C)C(=O)OC 62a_100000210303_100000034942 [0,2,0,0,0,0|0,0,0]=2 5444 B11R0.142 CCOCCNC(C)C(=O)CC 2230a_102516460346_100000742827 [0,2,0,0,0,0|2,0,0]=4 5445 B11R0.142 CCOCCNC(C)C(=O)NC 2230a_102516460346_100000731044 [0,2,0,0,0,0|2,0,0]=4 5446 B11R0.142 CCOCCNC(C)C(=O)NC 34a_102516460346_100000731044 [0,2,0,0,0,0|2,0,0]=4 5447 B11R0.142 CCOCCNC(C)C(=O)OC 2230a_102516460346_100000211248 [0,2,0,0,0,0|1,0,0]=3 5448 B11R0.142 CCOCCNC(C)C(=O)OC 34a_102516460346_100000211248 [0,2,0,0,0,0|1,0,0]=3 5449 B11R0.142 CCOCCN[C@H](C)C(=O)NC 2230a_100000684985_100011215890 [0,2,0,0,0,0|2,0,0]=4 5450 B11R0.142 CCOCCN[C@H](C)C(=O)NC 34a_100000684985_100000210147 [0,2,0,0,0,0|2,0,0]=4 5451 B11R0.142 CCOCCOC(C)C(=O)CC 1458a_100000743585_100000210202 [0,2,0,0,0,0|2,0,0]=4 5452 B11R0.142 CCOCCOC(C)C(=O)CC 7a_100000210136_100000742827 [0,2,0,0,0,0|2,0,0]=4 5453 B11R0.142 CCOCCOC(C)C(=O)CF 1458a_100000743585_100015361967 [0,2,0,0,0,0|2,0,0]=4 5454 B11R0.142 CCOCCOC(C)C(=O)NC 11a_106832991635_100000743585 [0,2,0,0,0,0|2,0,0]=4 5455 B11R0.142 CCOCCOC(C)C(=O)NC 1626a_100102657272_100000743585 [0,2,0,0,0,0|2,0,0]=4 5456 B11R0.142 CCOCCOC(C)C(=O)NC 240690a_100102657272_100000743585 [0,2,0,0,0,0|2,0,0]=4 5457 B11R0.142 CCOCCOC(C)C(=O)NC 34a_100000210136_100000731044 [0,2,0,0,0,0|2,0,0]=4 5458 B11R0.142 CCOCCOC(C)C(=O)NC 527a_100102657272_100000743585 [0,2,0,0,0,0|2,0,0]=4 5459 B11R0.142 CCOCCOC(C)C(=O)NC 7a_100000210136_100000209862 [0,2,0,0,0,0|2,0,0]=4 5460 B11R0.142 CCOCCOC(C)C(=O)NN 34a_100000725659_100000210147 [0,2,0,0,0,0|2,0,0]=4 5461 B11R0.142 CCOCCOC(C)C(=O)OC 34a_100000210136_100000211248 [0,2,0,0,0,0|1,0,0]=3 5462 B11R0.142 CCOCCOC(C)C(=O)OC 34a_100011215400_100000210147 [0,2,0,0,0,0|1,0,0]=3 5463 B11R0.142 CCOCCOC(C)C(=O)OC 7a_100000210136_100000211248 [0,2,0,0,0,0|1,0,0]=3 5464 B11R0.142 CCOCCSC(C)C(=O)CC 62a_100000210147_100000742827 [0,2,0,0,0,0|2,0,0]=4 5465 B11R0.142 CCOCCSC(C)C(=O)CC 62a_100000742827_100011215890 [0,2,0,0,0,0|2,0,0]=4 5466 B11R0.142 CCOCCSC(C)C(=O)NC 62a_100000209862_100011215890 [0,2,0,0,0,0|2,0,0]=4 5467 B11R0.142 CCOCCSC(C)C(=O)NC 62a_100000210147_100000731044 [0,2,0,0,0,0|2,0,0]=4 5468 B11R0.142 CCOCCSC(C)C(=O)OC 62a_100000210147_100000211248 [0,2,0,0,0,0|1,0,0]=3 5469 B11R0.142 CCOCCSC(C)C(=O)OC 62a_100000211248_100011215890 [0,2,0,0,0,0|1,0,0]=3 5470 B11R0.142 CCOCSCC(C)C(=O)OC 62a_100000698445_100000739092 [0,2,0,0,0,0|1,0,0]=3 5471 B11R0.142 CCOCSCC(C)C(=O)OC 62a_100000739092_100000698445 [0,2,0,0,0,0|1,0,0]=3 5472 B11R0.142 CCSCCNC(C)C(=O)CC 2230a_100000106463_100000742827 [0,2,0,0,0,0|2,0,0]=4 5473 B11R0.142 CCSCCNC(C)C(=O)NC 2230a_100000106463_100000731044 [0,2,0,0,0,0|2,0,0]=4 5474 B11R0.142 CCSCCNC(C)C(=O)OC 2230a_100000106463_100000211248 [0,2,0,0,0,0|1,0,0]=3 5475 B11R0.142 CCSCCN[C@H](C)C(=O)NC 2230a_100000684985_100000757381 [0,2,0,0,0,0|2,0,0]=4 5476 B11R0.142 CCSCCN[C@H](C)C(=O)NC 34a_100000684985_100000757381 [0,2,0,0,0,0|2,0,0]=4 5477 B11R0.142 CCSCCOC(C)C(=O)CC 7a_100000212035_100000742827 [0,2,0,0,0,0|2,0,0]=4 5478 B11R0.142 CCSCCOC(C)C(=O)NC 34a_100000212035_100000731044 [0,2,0,0,0,0|2,0,0]=4 5479 B11R0.142 CCSCCOC(C)C(=O)NC 7a_100000212035_100000209862 [0,2,0,0,0,0|2,0,0]=4 5480 B11R0.142 CCSCCOC(C)C(=O)NN 34a_100000725659_100000757381 [0,2,0,0,0,0|2,0,0]=4 5481 B11R0.142 CCSCCOC(C)C(=O)OC 34a_100000212035_100000211248 [0,2,0,0,0,0|1,0,0]=3 5482 B11R0.142 CCSCCOC(C)C(=O)OC 34a_100011215400_100000757381 [0,2,0,0,0,0|1,0,0]=3 5483 B11R0.142 CCSCCOC(C)C(=O)OC 7a_100000212035_100000211248 [0,2,0,0,0,0|1,0,0]=3 5484 B11R0.142 CCSCCSC(C)C(=O)CC 62a_100000742827_100000757381 [0,2,0,0,0,0|2,0,0]=4 5485 B11R0.142 CCSCCSC(C)C(=O)CC 62a_100000757381_100000742827 [0,2,0,0,0,0|2,0,0]=4 5486 B11R0.142 CCSCCSC(C)C(=O)NC 62a_100000209862_100000757381 [0,2,0,0,0,0|2,0,0]=4 5487 B11R0.142 CCSCCSC(C)C(=O)NC 62a_100000757381_100000731044 [0,2,0,0,0,0|2,0,0]=4 5488 B11R0.142 CCSCCSC(C)C(=O)OC 62a_100000211248_100000757381 [0,2,0,0,0,0|1,0,0]=3 5489 B11R0.142 CCSCCSC(C)C(=O)OC 62a_100000757381_100000211248 [0,2,0,0,0,0|1,0,0]=3 5490 B11R0.142 CN(CCCCCO)C(=O)CO 240690a_100000722520_100000210174 [0,2,0,0,0,0|1,0,0]=3 5491 B11R0.142 CN(CCOCCO)C(=O)CO 240690a_100000228057_100000210174 [0,2,0,0,0,0|2,0,0]=4 5492 B11R0.142 CNC(=O)C(C)CNCCCF 2230a_100015187722_100011934791 [0,2,0,0,0,0|2,0,0]=4 5493 B11R0.142 CNC(=O)C(C)CNCCCF 34a_100015187722_100011934791 [0,2,0,0,0,0|2,0,0]=4 5494 B11R0.142 CNC(=O)C(C)CNCCCO 2230a_100015187722_100000230001 [0,2,0,0,0,0|2,0,0]=4 5495 B11R0.142 CNC(=O)C(C)CNCCCO 34a_100015187722_100000230001 [0,2,0,0,0,0|2,0,0]=4 5496 B11R0.142 CNC(=O)C(C)CNCCOC 2230a_100015187722_100011201679 [0,2,0,0,0,0|2,0,0]=4 5497 B11R0.142 CNC(=O)C(C)CNCCOC 34a_100015187722_100011201679 [0,2,0,0,0,0|2,0,0]=4 5498 B11R0.142 CNC(=O)C(C)CNCCSC 2230a_100015187722_100000751147 [0,2,0,0,0,0|2,0,0]=4 5499 B11R0.142 CNC(=O)C(C)CNCCSC 34a_100015187722_100000212216 [0,2,0,0,0,0|2,0,0]=4 5500 B11R0.142 CNC(=O)C(C)NCCCCO 2230a_100000750430_100000731044 [0,2,0,0,0,0|2,0,0]=4 5501 B11R0.142 CNC(=O)C(C)NCCCCO 34a_100000750430_100000731044 [0,2,0,0,0,0|2,0,0]=4 5502 B11R0.142 CNC(=O)C(C)NCCCOC 34a_100150723488_100000731044 [0,2,0,0,0,0|2,0,0]=4 5503 B11R0.142 CNC(=O)C(C)NCCCSC 2230a_100000749238_100000731044 [0,2,0,0,0,0|2,0,0]=4 5504 B11R0.142 CNC(=O)C(C)OCCCCBr 34a_100011216708_100000731044 [0,2,0,0,0,0|2,0,0]=4 5505 B11R0.142 CNC(=O)C(C)OCCCCCl 34a_100000210776_100000731044 [0,2,0,0,0,0|2,0,0]=4 5506 B11R0.142 CNC(=O)C(C)OCCCCCl 7a_100000210776_100000209862 [0,2,0,0,0,0|2,0,0]=4 5507 B11R0.142 CNC(=O)C(C)OCCCCF 34a_100011995726_100000731044 [0,2,0,0,0,0|2,0,0]=4 5508 B11R0.142 CNC(=O)C(C)OCCCCF 7a_100011995726_100000209862 [0,2,0,0,0,0|2,0,0]=4 5509 B11R0.142 CNC(=O)C(C)OCCCCI 34a_200012148704_100000731044 [0,2,0,0,0,0|2,0,0]=4 5510 B11R0.142 CNC(=O)C(C)OCCCCN 34a_100000750430_100000731044 [0,2,0,0,0,0|2,0,0]=4 5511 B11R0.142 CNC(=O)C(C)OCCCOC 34a_100000740835_100000731044 [0,2,0,0,0,0|2,0,0]=4 5512 B11R0.142 CNC(=O)C(C)OCCCSC 34a_100000690336_100000731044 [0,2,0,0,0,0|2,0,0]=4 5513 B11R0.142 CNC(=O)C(C)OCCCSC 7a_100000690336_100000209862 [0,2,0,0,0,0|2,0,0]=4 5514 B11R0.142 CNC(=O)C(C)SCCCCF 62a_100000209862_100000729493 [0,2,0,0,0,0|2,0,0]=4 5515 B11R0.142 CNC(=O)C(C)SCCCCF 62a_100000729493_100000731044 [0,2,0,0,0,0|2,0,0]=4 5516 B11R0.142 CNC(=O)C(C)SCCCCO 62a_100000209862_100000210776 [0,2,0,0,0,0|2,0,0]=4 5517 B11R0.142 CNC(=O)C(C)SCCCCO 62a_100000210776_100000731044 [0,2,0,0,0,0|2,0,0]=4 5518 B11R0.142 CNC(=O)C(C)SCCCOC 62a_100000209862_100000709357 [0,2,0,0,0,0|2,0,0]=4 5519 B11R0.142 CNC(=O)C(C)SCCCOC 62a_100000709357_100000731044 [0,2,0,0,0,0|2,0,0]=4 5520 B11R0.142 CNC(=O)N(C)CCCCCO 2708a_100102657272_100000722520 [0,2,0,0,0,0|2,0,0]=4 5521 B11R0.142 CNC(=O)N(C)CCCCCO 273464a_100102657272_100000722520 [0,2,0,0,0,0|2,0,0]=4 5522 B11R0.142 CNC(=O)[C@@H](C)NCCCCF 2230a_100000684985_100000729493 [0,2,0,0,0,0|2,0,0]=4 5523 B11R0.142 CNC(=O)[C@@H](C)NCCCCF 34a_100000684985_100000729493 [0,2,0,0,0,0|2,0,0]=4 5524 B11R0.142 CNC(=O)[C@@H](C)NCCCCO 2230a_100000684985_100000210776 [0,2,0,0,0,0|2,0,0]=4 5525 B11R0.142 CNC(=O)[C@@H](C)NCCCCO 34a_100000684985_100011216708 [0,2,0,0,0,0|2,0,0]=4 5526 B11R0.142 CNC(=O)[C@@H](C)NCCCOC 2230a_100000684985_100000740836 [0,2,0,0,0,0|2,0,0]=4 5527 B11R0.142 CNC(=O)[C@@H](C)NCCCOC 34a_100000684985_100000740836 [0,2,0,0,0,0|2,0,0]=4 5528 B11R0.142 CNCCCOC(C)C(=O)NC 34a_100000213112_100000731044 [0,2,0,0,0,0|2,0,0]=4 5529 B11R0.142 CNCCCOC(C)C(=O)OC 34a_100000213112_100000211248 [0,2,0,0,0,0|1,0,0]=3 5530 B11R0.142 COC(=O)C(C)CCNCCF 34a_100000724931_100000034942 [0,2,0,0,0,0|1,0,0]=3 5531 B11R0.142 COC(=O)C(C)CCNCCO 2230a_100016997473_100000034942 [0,2,0,0,0,0|1,0,0]=3 5532 B11R0.142 COC(=O)C(C)CCNCCO 34a_100016990907_100000034942 [0,2,0,0,0,0|1,0,0]=3 5533 B11R0.142 COC(=O)C(C)CCOCCBr 34a_100000211926_100000034942 [0,2,0,0,0,0|1,0,0]=3 5534 B11R0.142 COC(=O)C(C)CCOCCN 34a_100000210304_100000034942 [0,2,0,0,0,0|1,0,0]=3 5535 B11R0.142 COC(=O)C(C)CCSCC#N 62a_100000034942_100011215382 [0,2,0,0,0,0|1,0,1]=4 5536 B11R0.142 COC(=O)C(C)CCSCC#N 62a_100011215382_100000034942 [0,2,0,0,0,0|1,0,1]=4 5537 B11R0.142 COC(=O)C(C)CCSCC=O 62a_100000034942_200015260668 [0,2,0,0,0,0|1,0,1]=4 5538 B11R0.142 COC(=O)C(C)CCSCC=O 62a_200015260668_100000034942 [0,2,0,0,0,0|1,0,1]=4 5539 B11R0.142 COC(=O)C(C)CCSCCF 62a_100000034942_100011217306 [0,2,0,0,0,0|1,0,0]=3 5540 B11R0.142 COC(=O)C(C)CCSCCF 62a_100011217306_100000034942 [0,2,0,0,0,0|1,0,0]=3 5541 B11R0.142 COC(=O)C(C)CCSCCO 62a_100000034942_100000211926 [0,2,0,0,0,0|1,0,0]=3 5542 B11R0.142 COC(=O)C(C)CCSCCO 62a_100000211926_100000034942 [0,2,0,0,0,0|1,0,0]=3 5543 B11R0.142 COC(=O)C(C)CCSCSC 62a_100000034942_100011218213 [0,2,0,0,0,0|1,0,0]=3 5544 B11R0.142 COC(=O)C(C)CCSCSC 62a_100011218213_100000034942 [0,2,0,0,0,0|1,0,0]=3 5545 B11R0.142 COC(=O)C(C)CNCCCF 34a_100015189416_100000698445 [0,2,0,0,0,0|1,0,0]=3 5546 B11R0.142 COC(=O)C(C)COCCC#N 7a_100000749362_100000184422 [0,2,0,0,0,0|1,0,1]=4 5547 B11R0.142 COC(=O)C(C)COCCCBr 34a_100011217188_100000698445 [0,2,0,0,0,0|1,0,0]=3 5548 B11R0.142 COC(=O)C(C)COCCCCl 34a_100000230001_100000698445 [0,2,0,0,0,0|1,0,0]=3 5549 B11R0.142 COC(=O)C(C)COCCCF 34a_100000749362_100011934791 [0,2,0,0,0,0|1,0,0]=3 5550 B11R0.142 COC(=O)C(C)COCCCF 34a_100000759539_100000698445 [0,2,0,0,0,0|1,0,0]=3 5551 B11R0.142 COC(=O)C(C)COCCCF 7a_100000749362_100011934791 [0,2,0,0,0,0|1,0,0]=3 5552 B11R0.142 COC(=O)C(C)COCCCN 34a_100000182051_100000698445 [0,2,0,0,0,0|1,0,0]=3 5553 B11R0.142 COC(=O)C(C)COCCCO 34a_100000749362_100000230001 [0,2,0,0,0,0|1,0,0]=3 5554 B11R0.142 COC(=O)C(C)COCCCO 7a_100000749362_100011215043 [0,2,0,0,0,0|1,0,0]=3 5555 B11R0.142 COC(=O)C(C)COCCON 34a_100000700252_100000698445 [0,2,0,0,0,0|2,0,0]=4 5556 B11R0.142 COC(=O)C(C)COCCSC 34a_100000230434_100000698445 [0,2,0,0,0,0|1,0,0]=3 5557 B11R0.142 COC(=O)C(C)COCCSC 34a_100000749362_100000212216 [0,2,0,0,0,0|1,0,0]=3 5558 B11R0.142 COC(=O)C(C)COCCSC 7a_100000749362_100000212216 [0,2,0,0,0,0|1,0,0]=3 5559 B11R0.142 COC(=O)C(C)CSCCC#N 62a_100000698445_100011215226 [0,2,0,0,0,0|1,0,1]=4 5560 B11R0.142 COC(=O)C(C)CSCCC#N 62a_100011215226_100000698445 [0,2,0,0,0,0|1,0,1]=4 5561 B11R0.142 COC(=O)C(C)CSCCCF 62a_100000698445_100011934791 [0,2,0,0,0,0|1,0,0]=3 5562 B11R0.142 COC(=O)C(C)CSCCCF 62a_100011934791_100000698445 [0,2,0,0,0,0|1,0,0]=3 5563 B11R0.142 COC(=O)C(C)CSCCCO 62a_100000698445_100011215043 [0,2,0,0,0,0|1,0,0]=3 5564 B11R0.142 COC(=O)C(C)CSCCCO 62a_100011215043_100000698445 [0,2,0,0,0,0|1,0,0]=3 5565 B11R0.142 COC(=O)C(C)CSCCSC 62a_100000212216_100000698445 [0,2,0,0,0,0|1,0,0]=3 5566 B11R0.142 COC(=O)C(C)CSCCSC 62a_100000698445_100000751147 [0,2,0,0,0,0|1,0,0]=3 5567 B11R0.142 COC(=O)C(C)NCCCCO 2230a_100000750430_100000211248 [0,2,0,0,0,0|1,0,0]=3 5568 B11R0.142 COC(=O)C(C)NCCCCO 34a_100000750430_100000211248 [0,2,0,0,0,0|1,0,0]=3 5569 B11R0.142 COC(=O)C(C)NCCCSC 2230a_100000749238_100000211248 [0,2,0,0,0,0|1,0,0]=3 5570 B11R0.142 COC(=O)C(C)OCCCCBr 34a_100011216708_100000211248 [0,2,0,0,0,0|1,0,0]=3 5571 B11R0.142 COC(=O)C(C)OCCCCCl 34a_100000210776_100000211248 [0,2,0,0,0,0|1,0,0]=3 5572 B11R0.142 COC(=O)C(C)OCCCCCl 7a_100000210776_100000211248 [0,2,0,0,0,0|1,0,0]=3 5573 B11R0.142 COC(=O)C(C)OCCCCF 34a_100011215400_100000729493 [0,2,0,0,0,0|1,0,0]=3 5574 B11R0.142 COC(=O)C(C)OCCCCF 34a_100011995726_100000211248 [0,2,0,0,0,0|1,0,0]=3 5575 B11R0.142 COC(=O)C(C)OCCCCF 7a_100011995726_100000211248 [0,2,0,0,0,0|1,0,0]=3 5576 B11R0.142 COC(=O)C(C)OCCCCI 34a_200012148704_100000211248 [0,2,0,0,0,0|1,0,0]=3 5577 B11R0.142 COC(=O)C(C)OCCCCN 34a_100000750430_100000211248 [0,2,0,0,0,0|1,0,0]=3 5578 B11R0.142 COC(=O)C(C)OCCCCO 34a_100011215400_100011216708 [0,2,0,0,0,0|1,0,0]=3 5579 B11R0.142 COC(=O)C(C)OCCCSC 34a_100000690336_100000211248 [0,2,0,0,0,0|1,0,0]=3 5580 B11R0.142 COC(=O)C(C)OCCCSC 7a_100000690336_100000211248 [0,2,0,0,0,0|1,0,0]=3 5581 B11R0.142 COC(=O)C(C)SCCCC#N 62a_100000211248_100000687738 [0,2,0,0,0,0|1,0,1]=4 5582 B11R0.142 COC(=O)C(C)SCCCC#N 62a_100000687738_100000211248 [0,2,0,0,0,0|1,0,1]=4 5583 B11R0.142 COC(=O)C(C)SCCCC=O 62a_100000211248_200011292268 [0,2,0,0,0,0|1,0,1]=4 5584 B11R0.142 COC(=O)C(C)SCCCC=O 62a_200011292268_100000211248 [0,2,0,0,0,0|1,0,1]=4 5585 B11R0.142 COC(=O)C(C)SCCCCF 62a_100000211248_100000729493 [0,2,0,0,0,0|1,0,0]=3 5586 B11R0.142 COC(=O)C(C)SCCCCF 62a_100000729493_100000211248 [0,2,0,0,0,0|1,0,0]=3 5587 B11R0.142 COC(=O)C(C)SCCCCO 62a_100000210776_100000211248 [0,2,0,0,0,0|1,0,0]=3 5588 B11R0.142 COC(=O)C(C)SCCCCO 62a_100000211248_100000210776 [0,2,0,0,0,0|1,0,0]=3 5589 B11R0.142 COC(=O)C(F)COCCCF 34a_200009849844_100011934791 [0,2,0,0,0,0|2,0,0]=4 5590 B11R0.142 COC(=O)C(F)COCCCO 34a_200009849844_100000230001 [0,2,0,0,0,0|2,0,0]=4 5591 B11R0.142 COC(=O)C(F)COCCSC 34a_200009849844_100000212216 [0,2,0,0,0,0|2,0,0]=4 5592 B11R0.142 COC(=O)[C@H](N)COCCCF 34a_100000003586_100011934791 [0,2,0,0,0,0|2,0,0]=4 5593 B11R0.142 COC(=O)[C@H](N)COCCCO 34a_100000003586_100000230001 [0,2,0,0,0,0|2,0,0]=4 5594 B11R0.142 COC(=O)[C@H](N)COCCSC 34a_100000003586_100000212216 [0,2,0,0,0,0|2,0,0]=4 5595 B11R0.142 COCCCNC(C)C(=O)OC 34a_100150723488_100000211248 [0,2,0,0,0,0|1,0,0]=3 5596 B11R0.142 COCCCOC(C)C(=O)NN 34a_100000725659_100000740836 [0,2,0,0,0,0|2,0,0]=4 5597 B11R0.142 COCCCOC(C)C(=O)OC 34a_100000740835_100000211248 [0,2,0,0,0,0|1,0,0]=3 5598 B11R0.142 COCCCOC(C)C(=O)OC 34a_100011215400_100000740836 [0,2,0,0,0,0|1,0,0]=3 5599 B11R0.142 COCCCSC(C)C(=O)OC 62a_100000211248_100000709357 [0,2,0,0,0,0|1,0,0]=3 5600 B11R0.142 COCCCSC(C)C(=O)OC 62a_100000709357_100000211248 [0,2,0,0,0,0|1,0,0]=3 5601 B11R0.142 COCCOCC(C)C(=O)OC 34a_100000210237_100000698445 [0,2,0,0,0,0|1,0,0]=3 5602 B11R0.142 COCCOCC(C)C(=O)OC 34a_100000749362_100011201679 [0,2,0,0,0,0|1,0,0]=3 5603 B11R0.142 COCCOCC(C)C(=O)OC 7a_100000749362_100000233755 [0,2,0,0,0,0|1,0,0]=3 5604 B11R0.142 COCCOCC(F)C(=O)OC 34a_200009849844_100011201679 [0,2,0,0,0,0|2,0,0]=4 5605 B11R0.142 COCCOC[C@@H](N)C(=O)OC 34a_100000003586_100011201679 [0,2,0,0,0,0|2,0,0]=4 5606 B11R0.142 COCCSCC(C)C(=O)OC 62a_100000233755_100000698445 [0,2,0,0,0,0|1,0,0]=3 5607 B11R0.142 COCCSCC(C)C(=O)OC 62a_100000698445_100000233755 [0,2,0,0,0,0|1,0,0]=3 5608 B11R0.142 COCSCCC(C)C(=O)OC 62a_100000034942_100000766300 [0,2,0,0,0,0|1,0,0]=3 5609 B11R0.142 COCSCCC(C)C(=O)OC 62a_100000766300_100000034942 [0,2,0,0,0,0|1,0,0]=3 5610 B11R0.73 CCCCC(=O)C(C)C(=O)CC 1458a_100000210183_100000742827 [0,2,0,0,0,0|1,0,1]=4 5611 B11R0.73 CCCCC(=O)C(C)C(=O)NC 1458a_100000210183_100000209862 [0,2,0,0,0,0|1,0,1]=4 5612 B11R0.73 CCCCC(=O)C(C)C(=O)OC 1458a_100000210183_100000211248 [0,2,0,0,0,0|0,0,1]=3 5613 B11R0.73 CCCCC(=O)C(C)C(=O)OC 1458a_100012027023_100000210211 [0,2,0,0,0,0|0,0,1]=3 5614 B11R0.73 CCCCN(C)C(C)C(=O)CC 2230a_100000207549_100000742827 [0,2,0,0,0,0|2,0,0]=4 5615 B11R0.73 CCCCN(C)C(C)C(=O)CC 269982a_100000207549_100000742827 [0,2,0,0,0,0|2,0,0]=4 5616 B11R0.73 CCCCN(C)C(C)C(=O)NC 2230a_100000207549_100000731044 [0,2,0,0,0,0|2,0,0]=4 5617 B11R0.73 CCCCN(C)C(C)C(=O)NC 269982a_100000207549_100000209862 [0,2,0,0,0,0|2,0,0]=4 5618 B11R0.73 CCCCN(C)C(C)C(=O)OC 2230a_100000207549_100000211248 [0,2,0,0,0,0|1,0,0]=3 5619 B11R0.73 CCCCN(C)C(C)C(=O)OC 2230a_100000725243_100000210211 [0,2,0,0,0,0|1,0,0]=3 5620 B11R0.73 CCCCN(C)C(C)C(=O)OC 269982a_100000207549_100000211248 [0,2,0,0,0,0|1,0,0]=3 5621 B11R0.73 CCCCN(C)C(C)C(=O)OC 269982a_100000725243_100000210211 [0,2,0,0,0,0|1,0,0]=3 5622 B11R0.73 CCCNC(=O)C(C)C(=O)CO 1458a_100000210174_100000230305 [0,2,0,0,0,0|1,0,1]=4 5623 B11R0.73 CCCNC(=O)C(C)C(=O)OC 11a_100020643023_100012027023 [0,2,0,0,0,0|1,0,1]=4 5624 B11R0.73 CCCNC(=O)C(C)C(=O)OC 1626a_100020643023_100012027023 [0,2,0,0,0,0|1,0,1]=4 5625 B11R0.73 CCCNC(=O)C(C)C(=O)OC 240690a_100020643023_100012027023 [0,2,0,0,0,0|1,0,1]=4 5626 B11R0.73 CCCNC(=O)C(C)C(=O)OC 527a_100020643023_100012027023 [0,2,0,0,0,0|1,0,1]=4 5627 B11R0.73 CCCOC(=O)C(C)C(=O)CO 1458a_100000210174_100000760410 [0,2,0,0,0,0|1,0,1]=4 5628 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 5629 B11R0.73 CCOCC(=O)C(C)C(=O)OC 1458a_100000211967_100000211248 [0,2,0,0,0,0|1,0,1]=4 5630 B11R0.73 CCOCN(C)C(C)C(=O)OC 269982a_100000725243_100000739092 [0,2,0,0,0,0|2,0,0]=4 5631 B11R0.73 CCSCC(=O)C(C)C(=O)OC 1458a_100000230394_100000211248 [0,2,0,0,0,0|1,0,1]=4 5632 B11R0.73 COC(=O)C(C)C(=O)CCCF 1458a_100012027023_100011934791 [0,2,0,0,0,0|1,0,1]=4 5633 B11R0.73 COC(=O)C(C)C(=O)CCCO 1458a_100012027023_100011215043 [0,2,0,0,0,0|1,0,1]=4 5634 B11R0.73 COC(=O)C(C)C(=O)CCSC 1458a_100000174002_100000211248 [0,2,0,0,0,0|1,0,1]=4 5635 B11R0.73 COC(=O)C(C)C(=O)CCSC 1458a_100012027023_100000751147 [0,2,0,0,0,0|1,0,1]=4 5636 B11R0.73 COC(=O)C(C)N(C)CCCF 2230a_100000725243_100011934791 [0,2,0,0,0,0|2,0,0]=4 5637 B11R0.73 COC(=O)C(C)N(C)CCCF 269982a_100000725243_100011934791 [0,2,0,0,0,0|2,0,0]=4 5638 B11R0.73 COC(=O)C(C)N(C)CCCO 2230a_100000213112_100000211248 [0,2,0,0,0,0|2,0,0]=4 5639 B11R0.73 COC(=O)C(C)N(C)CCCO 2230a_100000725243_100000230001 [0,2,0,0,0,0|2,0,0]=4 5640 B11R0.73 COC(=O)C(C)N(C)CCCO 269982a_100000213112_100000211248 [0,2,0,0,0,0|2,0,0]=4 5641 B11R0.73 COC(=O)C(C)N(C)CCCO 269982a_100000725243_100011215043 [0,2,0,0,0,0|2,0,0]=4 5642 B11R0.73 COC(=O)C(C)N(C)CCSC 2230a_100000686725_100000211248 [0,2,0,0,0,0|2,0,0]=4 5643 B11R0.73 COC(=O)C(C)N(C)CCSC 2230a_100000725243_100000751147 [0,2,0,0,0,0|2,0,0]=4 5644 B11R0.73 COC(=O)C(C)N(C)CCSC 269982a_100000686725_100000211248 [0,2,0,0,0,0|2,0,0]=4 5645 B11R0.73 COC(=O)C(C)N(C)CCSC 269982a_100000725243_100000212216 [0,2,0,0,0,0|2,0,0]=4 5646 B11R0.73 COCCC(=O)C(C)C(=O)OC 1458a_100000749529_100000211248 [0,2,0,0,0,0|1,0,1]=4 5647 B11R0.73 COCCC(=O)C(C)C(=O)OC 1458a_100012027023_100000233755 [0,2,0,0,0,0|1,0,1]=4 5648 B11R0.73 COCCN(C)C(C)C(=O)OC 2230a_100000725243_100011201679 [0,2,0,0,0,0|2,0,0]=4 5649 B11R0.73 COCCN(C)C(C)C(=O)OC 2230a_100000743101_100000211248 [0,2,0,0,0,0|2,0,0]=4 5650 B11R0.73 COCCN(C)C(C)C(=O)OC 269982a_100000725243_100000233755 [0,2,0,0,0,0|2,0,0]=4 5651 B11R0.73 COCCN(C)C(C)C(=O)OC 269982a_100000743101_100000211248 [0,2,0,0,0,0|2,0,0]=4 5652 B11R0.92 CC(C(=O)O)N(C)CC(O)CO 269956a_100000749554_100011219619 [0,2,0,0,0,0|2,0,0]=4 5653 B11R0.92 CC(C(=O)O)N(C)C[C@@H](C)CO 269956a_100000749554_100000059175 [0,2,0,0,0,0|2,0,0]=4 5654 B11R0.92 CC(C(=O)O)N(C)C[C@@H](O)CF 269956a_100000749554_100015614560 [0,2,0,0,0,0|2,0,0]=4 5655 B11R0.92 CC(C(=O)O)N(C)C[C@@H](O)CO 269956a_100000749554_100009815848 [0,2,0,0,0,0|2,0,0]=4 5656 B11R0.92 CCC(=O)CN(C)C(C)C(=O)O 269956a_100000749554_100000747405 [0,2,0,0,0,0|1,0,1]=4 5657 B11R0.92 CCC(C)CC(=O)C(C)C(=O)C 1458a_100000708755_100000179758 [0,2,0,0,0,0|1,0,1]=4 5658 B11R0.92 CCC(C)CC(=O)C(C)C(=O)N 1458a_100000708755_100000702099 [0,2,0,0,0,0|1,0,1]=4 5659 B11R0.92 CCC(C)CN(C)C(C)C(=O)C 2230a_100000753921_100009814033 [0,2,0,0,0,0|2,0,0]=4 5660 B11R0.92 CCC(C)CN(C)C(C)C(=O)C 269982a_100000753921_100009814033 [0,2,0,0,0,0|2,0,0]=4 5661 B11R0.92 CCC(C)CN(C)C(C)C(=O)N 2230a_100000753921_100000702099 [0,2,0,0,0,0|2,0,0]=4 5662 B11R0.92 CCC(C)CN(C)C(C)C(=O)N 269982a_100000753921_100000184083 [0,2,0,0,0,0|2,0,0]=4 5663 B11R0.92 CCC(C)CN(C)C(C)C(=O)O 269956a_100000749554_100000748023 [0,2,0,0,0,0|1,0,0]=3 5664 B11R0.92 CCC(O)CC(=O)C(C)C(=O)C 1458a_100011667805_100000179758 [0,2,0,0,0,0|1,0,1]=4 5665 B11R0.92 CCC(O)CC(=O)C(C)C(=O)N 1458a_100011667805_100000702099 [0,2,0,0,0,0|1,0,1]=4 5666 B11R0.92 CCC(O)CN(C)C(C)C(=O)O 269956a_100000749554_100011218378 [0,2,0,0,0,0|1,0,0]=3 5667 B11R0.92 CC[C@H](C)CN(C)C(C)C(=O)O 269956a_100000749554_100009816398 [0,2,0,0,0,0|1,0,0]=3 5668 B11R0.162 CCCCN(CC)C(C)C(=O)C 2230a_100000207695_100009814033 [0,2,0,0,0,0|2,0,0]=4 5669 B11R0.162 CCCCN(CC)C(C)C(=O)C 269982a_100000207695_100009814033 [0,2,0,0,0,0|2,0,0]=4 5670 B11R0.162 CCCCN(CC)C(C)C(=O)N 2230a_100000207695_100000702099 [0,2,0,0,0,0|2,0,0]=4 5671 B11R0.162 CCCCN(CC)C(C)C(=O)N 2230a_100020603310_100000210211 [0,2,0,0,0,0|2,0,0]=4 5672 B11R0.162 CCCCN(CC)C(C)C(=O)N 269982a_100000207695_100000184083 [0,2,0,0,0,0|2,0,0]=4 5673 B11R0.162 CCCCN(CC)C(C)C(=O)N 269982a_100020603310_100000210211 [0,2,0,0,0,0|2,0,0]=4 5674 B11R0.173 C=C(C)CCN(C)C(C)C(=O)O 269956a_100000749554_100000730704 [0,2,0,0,0,0|1,0,1]=4 5675 B11R0.173 CC(=O)C(C)C(=O)CCC(C)C 1458a_100000181311_100000179758 [0,2,0,0,0,0|1,0,1]=4 5676 B11R0.173 CC(=O)C(C)N(C)CCC(C)C 2230a_100000742789_100009814033 [0,2,0,0,0,0|2,0,0]=4 5677 B11R0.173 CC(=O)C(C)N(C)CCC(C)C 269982a_100000742789_100009814033 [0,2,0,0,0,0|2,0,0]=4 5678 B11R0.173 CC(=O)CCN(C)C(C)C(=O)O 269956a_100000749554_100000053229 [0,2,0,0,0,0|1,0,1]=4 5679 B11R0.173 CC(C(=O)O)N(C)CCN(C)C 269956a_100000749554_100000755713 [0,2,0,0,0,0|2,0,0]=4 5680 B11R0.173 CC(C)CCC(=O)C(C)C(=O)N 1458a_100000181311_100000702099 [0,2,0,0,0,0|1,0,1]=4 5681 B11R0.173 CC(C)CCN(C)C(C)C(=O)N 2230a_100000742789_100000702099 [0,2,0,0,0,0|2,0,0]=4 5682 B11R0.173 CC(C)CCN(C)C(C)C(=O)N 269982a_100000742789_100000184083 [0,2,0,0,0,0|2,0,0]=4 5683 B11R0.173 CC(C)CCN(C)C(C)C(=O)O 269956a_100000749554_100000210312 [0,2,0,0,0,0|1,0,0]=3 5684 B11R0.173 CC(C)OCN(C)C(C)C(=O)O 269956a_100000749554_100000709892 [0,2,0,0,0,0|2,0,0]=4 5685 B11R0.173 CC(O)CCN(C)C(C)C(=O)O 269956a_100000749554_100012276601 [0,2,0,0,0,0|1,0,0]=3 5686 B11R0.238 CCCCC(=O)C(CC)C(=O)N 1458a_100000210183_100000750255 [0,2,0,0,0,0|1,0,1]=4 5687 B11R0.238 CCCCN(C)C(CC)C(=O)N 2230a_100000207549_100000750255 [0,2,0,0,0,0|2,0,0]=4 5688 B11R0.238 CCCCN(C)C(CC)C(=O)N 269982a_100000207549_100000750255 [0,2,0,0,0,0|2,0,0]=4 5689 B11R0.238 CCCCN(C)[C@@H](CC)C(=O)N 2230a_103436537554_100000210211 [0,2,0,0,0,0|2,0,0]=4 5690 B11R0.238 CCCCN(C)[C@@H](CC)C(=O)N 269982a_103436537554_100000210211 [0,2,0,0,0,0|2,0,0]=4 5691 B11R0.238 CCCCN(C)[C@@H](CO)C(=O)O 269956a_100015362447_100000210211 [0,2,0,0,0,0|1,0,0]=3 5692 B11R0.238 CCOCN(C)[C@@H](CO)C(=O)O 269956a_100015362447_100000739092 [0,2,0,0,0,0|2,0,0]=4 5693 B11R0.238 CN(CCCF)[C@@H](CO)C(=O)O 269956a_100015362447_100011934791 [0,2,0,0,0,0|2,0,0]=4 5694 B11R0.238 CN(CCCO)[C@@H](CO)C(=O)O 269956a_100015362447_100011215043 [0,2,0,0,0,0|2,0,0]=4 5695 B11R0.238 COCCN(C)[C@@H](CO)C(=O)O 269956a_100015362447_100000233755 [0,2,0,0,0,0|2,0,0]=4 5696 B11R0.238 CSCCN(C)[C@@H](CO)C(=O)O 269956a_100015362447_100000212216 [0,2,0,0,0,0|2,0,0]=4 5697 B11R0.21 CCC(CC)CNC(C)C(=O)C 2230a_100102946423_100009814033 [0,2,0,0,0,0|2,0,0]=4 5698 B11R0.21 CCC(CC)CNC(C)C(=O)N 2230a_100102946423_100000702099 [0,2,0,0,0,0|2,0,0]=4 5699 B11R0.21 CCC(CC)CN[C@@H](C)C(=O)O 269956a_100000743915_100011215472 [0,2,0,0,0,0|1,0,0]=3 5700 B11R0.21 CCC(CC)CN[C@H](C)C(=O)N 2230a_100000119354_100011215472 [0,2,0,0,0,0|2,0,0]=4 5701 B11R0.21 CCC(CC)CN[C@H](C)C(=O)N 270004a_100000119354_100000211137 [0,2,0,0,0,0|2,0,0]=4 5702 B11R0.21 CCC(CC)CN[C@H](C)C(=O)N 34a_100000119354_100011215472 [0,2,0,0,0,0|2,0,0]=4 5703 B11R0.21 CCC(CC)COC(C)C(=O)C 34a_100000212229_100011215472 [0,2,0,0,0,0|2,0,0]=4 5704 B11R0.21 CCC(CC)COC(C)C(=O)C 7a_100000703878_100000179758 [0,2,0,0,0,0|2,0,0]=4 5705 B11R0.21 CCC(CC)COC(C)C(=O)N 7a_100000703878_100000702099 [0,2,0,0,0,0|2,0,0]=4 5706 B11R0.21 CCC(CC)CO[C@@H](C)C(=O)[O-] 7a_217856618621_100011215472 [0,2,0,0,0,0|1,0,1]=4 5707 B11R0.21 CCC(CC)CO[C@H](C)C(=O)N 34a_100000731257_100011215472 [0,2,0,0,0,0|2,0,0]=4 5708 B11R0.21 CCC(CC)CO[C@H](C)C(=O)N 7a_100000731257_100011215472 [0,2,0,0,0,0|2,0,0]=4 5709 B11R0.21 CCC(CC)CSC(C)C(=O)C 62a_100009814033_100011215472 [0,2,0,0,0,0|2,0,0]=4 5710 B11R0.21 CCC(CC)CSC(C)C(=O)C 62a_100011215472_100009814033 [0,2,0,0,0,0|2,0,0]=4 5711 B11R0.21 CCC(CC)CSC(C)C(=O)N 62a_100000702099_100011215472 [0,2,0,0,0,0|2,0,0]=4 5712 B11R0.21 CCC(CC)CSC(C)C(=O)N 62a_100011215472_100000702099 [0,2,0,0,0,0|2,0,0]=4 5713 B11R0.21 CCC(CC)NCC(C)C(=O)O 269956a_100000749485_100000210505 [0,2,0,0,0,0|1,0,0]=3 5714 B11R0.21 CCC(CC)NCC(F)C(=O)O 269956a_100000084737_100000210505 [0,2,0,0,0,0|2,0,0]=4 5715 B11R0.21 CCC(CC)OCC(C)C(=O)C 7a_100000032740_100000210505 [0,2,0,0,0,0|2,0,0]=4 5716 B11R0.21 CCC(CCC(C)[N+](=O)[O-])NC 270004a_106832991635_200020636326 [0,2,0,0,0,0|1,0,1]=4 5717 B11R0.21 CCC(COC(C)C(=O)C)OC 7a_100011934954_100000179758 [0,2,0,0,0,0|2,0,0]=4 5718 B11R0.21 CCC(COC(C)C(=O)N)OC 34a_100011934954_100000702099 [0,2,0,0,0,0|2,0,0]=4 5719 B11R0.21 CCC(COC(C)C(=O)N)OC 7a_100011934954_100000702099 [0,2,0,0,0,0|2,0,0]=4 5720 B11R0.21 COC(CN[C@@H](C)C(=O)O)OC 269956a_100000743915_100000751394 [0,2,0,0,0,0|2,0,0]=4 5721 B11R0.90 C=C[C@H](NCC(C)CC)C(=O)O 269956a_100016992060_100000748023 [0,2,0,0,0,0|1,0,1]=4 5722 B11R0.90 C=C[C@H](NCC(O)CC)C(=O)O 269956a_100016992060_100011218378 [0,2,0,0,0,0|1,0,1]=4 5723 B11R0.90 C=C[C@H](NC[C@@H](C)CC)C(=O)O 269956a_100016992060_100009816398 [0,2,0,0,0,0|1,0,1]=4 5724 B11R0.90 CCC(=O)CNC(CO)C(=O)O 269956a_100000187304_100000747405 [0,2,0,0,0,0|1,0,1]=4 5725 B11R0.90 CCC(=O)CN[C@H](CC)C(=O)O 269956a_100000747097_100000747405 [0,2,0,0,0,0|1,0,1]=4 5726 B11R0.90 CCC(C)CNC(CC)C(=O)N 2230a_100000733705_100000748023 [0,2,0,0,0,0|2,0,0]=4 5727 B11R0.90 CCC(C)CNC(CC)C(=O)N 2230a_100020588543_100000750255 [0,2,0,0,0,0|2,0,0]=4 5728 B11R0.90 CCC(C)CNC(CC)C(=O)N 34a_100000733705_100000748023 [0,2,0,0,0,0|2,0,0]=4 5729 B11R0.90 CCC(C)CNC(CO)C(=O)O 269956a_100000187304_100000748023 [0,2,0,0,0,0|1,0,0]=3 5730 B11R0.90 CCC(C)CN[C@@H](CO)C(=O)N 2230a_100000729942_100000748023 [0,2,0,0,0,0|2,0,0]=4 5731 B11R0.90 CCC(C)CN[C@@H](CO)C(=O)N 270004a_100000729942_100000243153 [0,2,0,0,0,0|2,0,0]=4 5732 B11R0.90 CCC(C)CN[C@@H](CO)C(=O)N 34a_100000729942_100000748023 [0,2,0,0,0,0|2,0,0]=4 5733 B11R0.90 CCC(C)CN[C@H](CC)C(=O)O 269956a_100000747097_100000748023 [0,2,0,0,0,0|1,0,0]=3 5734 B11R0.90 CCC(C)CSC(CC)C(=O)N 62a_100000748023_100000750255 [0,2,0,0,0,0|2,0,0]=4 5735 B11R0.90 CCC(C)CSC(CC)C(=O)N 62a_100000750255_100000748023 [0,2,0,0,0,0|2,0,0]=4 5736 B11R0.90 CCC(NC[C@@H](C)CC)C(=O)N 2230a_100000733705_100009816398 [0,2,0,0,0,0|2,0,0]=4 5737 B11R0.90 CCC(NC[C@@H](C)CC)C(=O)N 34a_100000733705_100009816398 [0,2,0,0,0,0|2,0,0]=4 5738 B11R0.90 CCC(O)CNC(CC)C(=O)N 2230a_100000733705_100011218378 [0,2,0,0,0,0|2,0,0]=4 5739 B11R0.90 CCC(O)CNC(CC)C(=O)N 2230a_100011218483_100000750255 [0,2,0,0,0,0|2,0,0]=4 5740 B11R0.90 CCC(O)CNC(CC)C(=O)N 34a_100000733705_100011218378 [0,2,0,0,0,0|2,0,0]=4 5741 B11R0.90 CCC(O)CNC(CO)C(=O)O 269956a_100000187304_100011218378 [0,2,0,0,0,0|1,0,0]=3 5742 B11R0.90 CCC(O)CN[C@@H](CO)C(=O)N 2230a_100000729942_100011218378 [0,2,0,0,0,0|2,0,0]=4 5743 B11R0.90 CCC(O)CN[C@@H](CO)C(=O)N 34a_100000729942_100011218378 [0,2,0,0,0,0|2,0,0]=4 5744 B11R0.90 CCC(O)CN[C@H](CC)C(=O)O 269956a_100000747097_100011218378 [0,2,0,0,0,0|1,0,0]=3 5745 B11R0.90 CCC(O)CSC(CC)C(=O)N 62a_100000750255_100011218378 [0,2,0,0,0,0|2,0,0]=4 5746 B11R0.90 CCC(O)CSC(CC)C(=O)N 62a_100011218378_100000750255 [0,2,0,0,0,0|2,0,0]=4 5747 B11R0.90 CCC(OC[C@@H](C)CC)C(=O)N 7a_100009816381_100000750255 [0,2,0,0,0,0|2,0,0]=4 5748 B11R0.90 CCC(SC[C@@H](C)CC)C(=O)N 62a_100000750255_100009816398 [0,2,0,0,0,0|2,0,0]=4 5749 B11R0.90 CCC(SC[C@@H](C)CC)C(=O)N 62a_100009816398_100000750255 [0,2,0,0,0,0|2,0,0]=4 5750 B11R0.90 CC[C@@H](NCC(O)CO)C(=O)O 269956a_100000747097_100011219619 [0,2,0,0,0,0|2,0,0]=4 5751 B11R0.90 CC[C@@H](NC[C@@H](C)CO)C(=O)O 269956a_100000747097_100000059175 [0,2,0,0,0,0|2,0,0]=4 5752 B11R0.90 CC[C@@H](NC[C@@H](O)CF)C(=O)O 269956a_100000747097_100015614560 [0,2,0,0,0,0|2,0,0]=4 5753 B11R0.90 CC[C@@H](NC[C@@H](O)CO)C(=O)O 269956a_100000747097_100009815848 [0,2,0,0,0,0|2,0,0]=4 5754 B11R0.90 CC[C@H](C)CNC(CO)C(=O)O 269956a_100000187304_100009816398 [0,2,0,0,0,0|1,0,0]=3 5755 B11R0.90 CC[C@H](C)CN[C@@H](CO)C(=O)N 2230a_100000729942_100009816398 [0,2,0,0,0,0|2,0,0]=4 5756 B11R0.90 CC[C@H](C)CN[C@@H](CO)C(=O)N 34a_100000729942_100009816398 [0,2,0,0,0,0|2,0,0]=4 5757 B11R0.90 CC[C@H](C)CN[C@H](CC)C(=O)O 269956a_100000747097_100009816398 [0,2,0,0,0,0|1,0,0]=3 5758 B11R0.90 C[C@@H](CO)CNC(CO)C(=O)O 269956a_100000187304_100000059175 [0,2,0,0,0,0|2,0,0]=4 5759 B11R0.90 O=C(O)C(CO)NCC(O)CO 269956a_100000187304_100011219619 [0,2,0,0,0,0|2,0,0]=4 5760 B11R0.90 O=C(O)C(CO)NC[C@@H](O)CF 269956a_100000187304_100015614560 [0,2,0,0,0,0|2,0,0]=4 5761 B11R0.90 O=C(O)C(CO)NC[C@@H](O)CO 269956a_100000187304_100009815848 [0,2,0,0,0,0|2,0,0]=4 5762 B11R0.120 CCC(=O)C(C)NCC(C)CC 2230a_100020588543_100000742827 [0,2,0,0,0,0|2,0,0]=4 5763 B11R0.120 CCC(=O)C(C)NCC(O)CC 2230a_100011218483_100000742827 [0,2,0,0,0,0|2,0,0]=4 5764 B11R0.120 CCC(=O)C(C)OC[C@@H](C)CC 7a_100009816381_100000742827 [0,2,0,0,0,0|2,0,0]=4 5765 B11R0.120 CCC(=O)C(C)SCC(C)CC 62a_100000742827_100000748023 [0,2,0,0,0,0|2,0,0]=4 5766 B11R0.120 CCC(=O)C(C)SCC(C)CC 62a_100000748023_100000742827 [0,2,0,0,0,0|2,0,0]=4 5767 B11R0.120 CCC(=O)C(C)SCC(O)CC 62a_100000742827_100011218378 [0,2,0,0,0,0|2,0,0]=4 5768 B11R0.120 CCC(=O)C(C)SCC(O)CC 62a_100011218378_100000742827 [0,2,0,0,0,0|2,0,0]=4 5769 B11R0.120 CCC(=O)C(C)SC[C@@H](C)CC 62a_100000742827_100009816398 [0,2,0,0,0,0|2,0,0]=4 5770 B11R0.120 CCC(=O)C(C)SC[C@@H](C)CC 62a_100009816398_100000742827 [0,2,0,0,0,0|2,0,0]=4 5771 B11R0.120 CCC(=O)CCC(C)C(=O)OC 1458a_100000210414_100000034942 [0,2,0,0,0,0|0,0,1]=3 5772 B11R0.120 CCC(=O)COC(C)C(=O)OC 34a_100000725409_100000211248 [0,2,0,0,0,0|1,0,1]=4 5773 B11R0.120 CCC(=O)CSC(C)C(=O)OC 62a_100000211248_100000747405 [0,2,0,0,0,0|1,0,1]=4 5774 B11R0.120 CCC(=O)CSC(C)C(=O)OC 62a_100000747405_100000211248 [0,2,0,0,0,0|1,0,1]=4 5775 B11R0.120 CCC(C)CNC(C)C(=O)NC 2230a_100020588543_100000731044 [0,2,0,0,0,0|2,0,0]=4 5776 B11R0.120 CCC(C)CNC(C)C(=O)OC 2230a_100020588543_100000211248 [0,2,0,0,0,0|1,0,0]=3 5777 B11R0.120 CCC(C)CN[C@H](C)C(=O)NC 2230a_100000684985_100000748023 [0,2,0,0,0,0|2,0,0]=4 5778 B11R0.120 CCC(C)CN[C@H](C)C(=O)NC 34a_100000684985_100000748023 [0,2,0,0,0,0|2,0,0]=4 5779 B11R0.120 CCC(C)COC(C)C(=O)NN 34a_100000725659_100000748023 [0,2,0,0,0,0|2,0,0]=4 5780 B11R0.120 CCC(C)COC(C)C(=O)OC 34a_100011215400_100000748023 [0,2,0,0,0,0|1,0,0]=3 5781 B11R0.120 CCC(C)CSC(C)C(=O)NC 62a_100000209862_100000748023 [0,2,0,0,0,0|2,0,0]=4 5782 B11R0.120 CCC(C)CSC(C)C(=O)NC 62a_100000748023_100000731044 [0,2,0,0,0,0|2,0,0]=4 5783 B11R0.120 CCC(C)CSC(C)C(=O)OC 62a_100000211248_100000748023 [0,2,0,0,0,0|1,0,0]=3 5784 B11R0.120 CCC(C)CSC(C)C(=O)OC 62a_100000748023_100000211248 [0,2,0,0,0,0|1,0,0]=3 5785 B11R0.120 CCC(C)NCC(C)C(=O)NC 2230a_100015187722_100000758301 [0,2,0,0,0,0|2,0,0]=4 5786 B11R0.120 CCC(C)NCC(C)C(=O)NC 34a_100015187722_100011215416 [0,2,0,0,0,0|2,0,0]=4 5787 B11R0.120 CCC(C)OCC(C)C(=O)OC 34a_100000749362_100011215416 [0,2,0,0,0,0|1,0,0]=3 5788 B11R0.120 CCC(C)OCC(C)C(=O)OC 7a_100000749362_100000758301 [0,2,0,0,0,0|1,0,0]=3 5789 B11R0.120 CCC(C)OCC(F)C(=O)OC 34a_200009849844_100011215416 [0,2,0,0,0,0|2,0,0]=4 5790 B11R0.120 CCC(C)OC[C@@H](N)C(=O)OC 34a_100000003586_100011215416 [0,2,0,0,0,0|2,0,0]=4 5791 B11R0.120 CCC(C)SCC(C)C(=O)OC 62a_100000698445_100000758301 [0,2,0,0,0,0|1,0,0]=3 5792 B11R0.120 CCC(C)SCC(C)C(=O)OC 62a_100000758301_100000698445 [0,2,0,0,0,0|1,0,0]=3 5793 B11R0.120 CCC(O)CNC(C)C(=O)NC 2230a_100011218483_100000731044 [0,2,0,0,0,0|2,0,0]=4 5794 B11R0.120 CCC(O)CNC(C)C(=O)OC 2230a_100011218483_100000211248 [0,2,0,0,0,0|1,0,0]=3 5795 B11R0.120 CCC(O)CN[C@H](C)C(=O)NC 2230a_100000684985_100011218378 [0,2,0,0,0,0|2,0,0]=4 5796 B11R0.120 CCC(O)CN[C@H](C)C(=O)NC 34a_100000684985_100011218378 [0,2,0,0,0,0|2,0,0]=4 5797 B11R0.120 CCC(O)COC(C)C(=O)NN 34a_100000725659_100011218378 [0,2,0,0,0,0|2,0,0]=4 5798 B11R0.120 CCC(O)COC(C)C(=O)OC 34a_100011215400_100011218378 [0,2,0,0,0,0|1,0,0]=3 5799 B11R0.120 CCC(O)CSC(C)C(=O)NC 62a_100000209862_100011218378 [0,2,0,0,0,0|2,0,0]=4 5800 B11R0.120 CCC(O)CSC(C)C(=O)NC 62a_100011218378_100000731044 [0,2,0,0,0,0|2,0,0]=4 5801 B11R0.120 CCC(O)CSC(C)C(=O)OC 62a_100000211248_100011218378 [0,2,0,0,0,0|1,0,0]=3 5802 B11R0.120 CCC(O)CSC(C)C(=O)OC 62a_100011218378_100000211248 [0,2,0,0,0,0|1,0,0]=3 5803 B11R0.120 CCN(C)CCC(C)C(=O)OC 2230a_100000225621_100000034942 [0,2,0,0,0,0|1,0,0]=3 5804 B11R0.120 CCN(C)CCC(C)C(=O)OC 269982a_100000225621_100000034942 [0,2,0,0,0,0|1,0,0]=3 5805 B11R0.120 CC[C@H](C)CN[C@H](C)C(=O)NC 2230a_100000684985_100009816398 [0,2,0,0,0,0|2,0,0]=4 5806 B11R0.120 CC[C@H](C)CN[C@H](C)C(=O)NC 34a_100000684985_100009816398 [0,2,0,0,0,0|2,0,0]=4 5807 B11R0.120 CC[C@H](C)COC(C)C(=O)NC 7a_100009816381_100000209862 [0,2,0,0,0,0|2,0,0]=4 5808 B11R0.120 CC[C@H](C)COC(C)C(=O)NN 34a_100000725659_100009816398 [0,2,0,0,0,0|2,0,0]=4 5809 B11R0.120 CC[C@H](C)COC(C)C(=O)OC 34a_100011215400_100009816398 [0,2,0,0,0,0|1,0,0]=3 5810 B11R0.120 CC[C@H](C)COC(C)C(=O)OC 7a_100009816381_100000211248 [0,2,0,0,0,0|1,0,0]=3 5811 B11R0.120 CC[C@H](C)CSC(C)C(=O)NC 62a_100000209862_100009816398 [0,2,0,0,0,0|2,0,0]=4 5812 B11R0.120 CC[C@H](C)CSC(C)C(=O)NC 62a_100009816398_100000731044 [0,2,0,0,0,0|2,0,0]=4 5813 B11R0.120 CC[C@H](C)CSC(C)C(=O)OC 62a_100000211248_100009816398 [0,2,0,0,0,0|1,0,0]=3 5814 B11R0.120 CC[C@H](C)CSC(C)C(=O)OC 62a_100009816398_100000211248 [0,2,0,0,0,0|1,0,0]=3 5815 B11R0.120 COC(=O)C(C)CCC(=O)CO 1458a_100000210174_100000034942 [0,2,0,0,0,0|1,0,1]=4 5816 B11R0.120 COC(=O)C(C)COC(C)CF 34a_100016041109_100000698445 [0,2,0,0,0,0|2,0,0]=4 5817 B11R0.120 COC(=O)C(C)COC(C)CN 34a_100000210904_100000698445 [0,2,0,0,0,0|2,0,0]=4 5818 B11R0.120 COC(=O)C(C)COC(C)CO 34a_100000749362_100012180447 [0,2,0,0,0,0|2,0,0]=4 5819 B11R0.120 COC(=O)C(C)COC(C)CO 7a_100000749362_100012180447 [0,2,0,0,0,0|2,0,0]=4 5820 B11R0.120 COC(=O)C(C)CSC(C)CO 62a_100012180447_100000698445 [0,2,0,0,0,0|2,0,0]=4 5821 B11R0.120 COC(=O)C(C)CSC(C)OC 62a_100000698445_100009879195 [0,2,0,0,0,0|2,0,0]=4 5822 B11R0.120 COC(=O)C(C)CSC(C)OC 62a_100009879195_100000698445 [0,2,0,0,0,0|2,0,0]=4 5823 B11R0.120 COC(=O)C(C)CS[C@H](C)CO 62a_100000698445_100016084084 [0,2,0,0,0,0|2,0,0]=4 5824 B11R0.120 COC(=O)C(C)CS[C@H](C)CO 62a_100016084084_100000698445 [0,2,0,0,0,0|2,0,0]=4 5825 B11R0.120 COC(=O)C(C)NCC(C)CO 34a_100000744482_100000211248 [0,2,0,0,0,0|2,0,0]=4 5826 B11R0.120 COC(=O)C(C)NC[C@@H](C)OC 2230a_100020591295_100000211248 [0,2,0,0,0,0|2,0,0]=4 5827 B11R0.120 COC(=O)C(C)NC[C@@H](F)CO 34a_100015665980_100000211248 [0,2,0,0,0,0|2,0,0]=4 5828 B11R0.120 COC(=O)C(C)NC[C@H](O)CO 2230a_100020644852_100000211248 [0,2,0,0,0,0|2,0,0]=4 5829 B11R0.120 COC(=O)C(C)OCC(C)CN 34a_100000744482_100000211248 [0,2,0,0,0,0|2,0,0]=4 5830 B11R0.120 COC(=O)C(C)OCC(C)OC 34a_100000690652_100000211248 [0,2,0,0,0,0|2,0,0]=4 5831 B11R0.120 COC(=O)C(C)OCC(Cl)CCl 34a_100000033668_100000211248 [0,2,0,0,0,0|2,0,0]=4 5832 B11R0.120 COC(=O)C(C)OCC(O)CO 34a_100011215400_100011219619 [0,2,0,0,0,0|2,0,0]=4 5833 B11R0.120 COC(=O)C(C)OC[C@@H](C)CO 34a_100011215400_100000059175 [0,2,0,0,0,0|2,0,0]=4 5834 B11R0.120 COC(=O)C(C)OC[C@@H](O)CF 34a_100011215400_100015614560 [0,2,0,0,0,0|2,0,0]=4 5835 B11R0.120 COC(=O)C(C)OC[C@@H](O)CO 34a_100011215400_100009815848 [0,2,0,0,0,0|2,0,0]=4 5836 B11R0.120 COC(=O)C(C)OC[C@H](F)CN 34a_100015665980_100000211248 [0,2,0,0,0,0|2,0,0]=4 5837 B11R0.120 COC(=O)C(C)SCC(O)CO 62a_100000211248_100011219619 [0,2,0,0,0,0|2,0,0]=4 5838 B11R0.120 COC(=O)C(C)SCC(O)CO 62a_100011219619_100000211248 [0,2,0,0,0,0|2,0,0]=4 5839 B11R0.120 COC(=O)C(C)SC[C@@H](C)CO 62a_100000059175_100000211248 [0,2,0,0,0,0|2,0,0]=4 5840 B11R0.120 COC(=O)C(C)SC[C@@H](C)CO 62a_100000211248_100000059175 [0,2,0,0,0,0|2,0,0]=4 5841 B11R0.120 COC(=O)C(C)SC[C@@H](O)CF 62a_100000211248_100015614560 [0,2,0,0,0,0|2,0,0]=4 5842 B11R0.120 COC(=O)C(C)SC[C@@H](O)CF 62a_100015614560_100000211248 [0,2,0,0,0,0|2,0,0]=4 5843 B11R0.120 COC(=O)C(C)SC[C@@H](O)CO 62a_100000211248_100009815848 [0,2,0,0,0,0|2,0,0]=4 5844 B11R0.120 COC(=O)C(C)SC[C@@H](O)CO 62a_100009815848_100000211248 [0,2,0,0,0,0|2,0,0]=4 5845 B11R0.150 CC(=O)C(C)NCC(C)C(=O)O 269956a_100000749485_100009814033 [0,2,0,0,0,0|1,0,1]=4 5846 B11R0.150 CC(=O)C(C)NCC(O)C(C)C 2230a_100000759067_100009814033 [0,2,0,0,0,0|2,0,0]=4 5847 B11R0.150 CC(C)C(=O)CN[C@@H](C)C(=O)O 269956a_100000743915_100000753385 [0,2,0,0,0,0|1,0,1]=4 5848 B11R0.150 CC(NCC(O)C(C)C)C(=O)N 2230a_100000759067_100000702099 [0,2,0,0,0,0|2,0,0]=4 5849 B11R0.150 CC(NCC(O)C(C)C)C(=O)N 34a_100000759067_100000702099 [0,2,0,0,0,0|2,0,0]=4 5850 B11R0.150 CC(OC[C@H](N)C(C)C)C(=O)N 34a_100011830312_100000702099 [0,2,0,0,0,0|2,0,0]=4 5851 B11R0.302 CC(CNC(F)(F)CO)C(=O)O 269956a_100000749485_100011217949 [0,2,0,0,0,0|2,0,0]=4 5852 B11R0.302 CCC(C)(C)COC(C)C(=O)C 7a_100000765029_100000179758 [0,2,0,0,0,0|2,0,0]=4 5853 B11R0.302 CCC(C)(C)COC(C)C(=O)N 7a_100000765029_100000702099 [0,2,0,0,0,0|2,0,0]=4 5854 B11R0.302 CCC(C)(C)NCC(C)C(=O)O 269956a_100000749485_100000032637 [0,2,0,0,0,0|1,0,0]=3 5855 B11R0.302 CCC(C)(C)NCC(F)C(=O)O 269956a_100000084737_100000032637 [0,2,0,0,0,0|2,0,0]=4 5856 B11R0.302 CCC(C)(C)OCC(C)C(=O)C 7a_100000032740_100000210677 [0,2,0,0,0,0|2,0,0]=4 5857 B11R0.302 COC(C)(C)CN[C@@H](C)C(=O)O 269956a_100000743915_100000701081 [0,2,0,0,0,0|2,0,0]=4 5858 B11R0.302 C[C@H](NCC(C)(C)CO)C(=O)O 269956a_100000743915_100009813988 [0,2,0,0,0,0|2,0,0]=4 5859 B11R0.75 CCC(NCCCF)C(=O)OC 2230a_100015189416_100000235869 [0,2,0,0,0,0|2,0,0]=4 5860 B11R0.75 CCC(NCCCF)C(=O)OC 34a_100015189416_100000235869 [0,2,0,0,0,0|2,0,0]=4 5861 B11R0.75 CCC(NCCOC)C(=O)OC 2230a_100000209980_100000235869 [0,2,0,0,0,0|2,0,0]=4 5862 B11R0.75 CCC(NCCSC)C(=O)OC 2230a_100020590264_100000235869 [0,2,0,0,0,0|2,0,0]=4 5863 B11R0.75 CCC(OCCCBr)C(=O)OC 34a_100011217188_100000235869 [0,2,0,0,0,0|2,0,0]=4 5864 B11R0.75 CCC(OCCCCl)C(=O)OC 34a_100000230001_100000235869 [0,2,0,0,0,0|2,0,0]=4 5865 B11R0.75 CCC(OCCCF)C(=O)OC 34a_100000695916_100011934791 [0,2,0,0,0,0|2,0,0]=4 5866 B11R0.75 CCC(OCCCF)C(=O)OC 34a_100000759539_100000235869 [0,2,0,0,0,0|2,0,0]=4 5867 B11R0.75 CCC(OCCCF)C(=O)OC 7a_100000695916_100011934791 [0,2,0,0,0,0|2,0,0]=4 5868 B11R0.75 CCC(OCCCN)C(=O)OC 34a_100000182051_100000235869 [0,2,0,0,0,0|2,0,0]=4 5869 B11R0.75 CCC(OCCCO)C(=O)OC 34a_100000695916_100000230001 [0,2,0,0,0,0|2,0,0]=4 5870 B11R0.75 CCC(OCCCO)C(=O)OC 7a_100000695916_100011215043 [0,2,0,0,0,0|2,0,0]=4 5871 B11R0.75 CCC(OCCOC)C(=O)OC 34a_100000210237_100000235869 [0,2,0,0,0,0|2,0,0]=4 5872 B11R0.75 CCC(OCCOC)C(=O)OC 34a_100000695916_100011201679 [0,2,0,0,0,0|2,0,0]=4 5873 B11R0.75 CCC(OCCOC)C(=O)OC 7a_100000695916_100000233755 [0,2,0,0,0,0|2,0,0]=4 5874 B11R0.75 CCC(OCCSC)C(=O)OC 34a_100000230434_100000235869 [0,2,0,0,0,0|2,0,0]=4 5875 B11R0.75 CCC(OCCSC)C(=O)OC 34a_100000695916_100000212216 [0,2,0,0,0,0|2,0,0]=4 5876 B11R0.75 CCC(OCCSC)C(=O)OC 7a_100000230434_100000742303 [0,2,0,0,0,0|2,0,0]=4 5877 B11R0.75 CCC(OCCSC)C(=O)OC 7a_100000695916_100000212216 [0,2,0,0,0,0|2,0,0]=4 5878 B11R0.75 CCC(SCCCF)C(=O)OC 62a_100000235869_100011934791 [0,2,0,0,0,0|2,0,0]=4 5879 B11R0.75 CCC(SCCCF)C(=O)OC 62a_100011934791_100000235869 [0,2,0,0,0,0|2,0,0]=4 5880 B11R0.75 CCC(SCCCO)C(=O)OC 62a_100000235869_100011215043 [0,2,0,0,0,0|2,0,0]=4 5881 B11R0.75 CCC(SCCCO)C(=O)OC 62a_100011215043_100000235869 [0,2,0,0,0,0|2,0,0]=4 5882 B11R0.75 CCC(SCCOC)C(=O)OC 62a_100000233755_100000235869 [0,2,0,0,0,0|2,0,0]=4 5883 B11R0.75 CCC(SCCOC)C(=O)OC 62a_100000235869_100000233755 [0,2,0,0,0,0|2,0,0]=4 5884 B11R0.75 CCC(SCCSC)C(=O)OC 62a_100000212216_100000235869 [0,2,0,0,0,0|2,0,0]=4 5885 B11R0.75 CCC(SCCSC)C(=O)OC 62a_100000235869_100000751147 [0,2,0,0,0,0|2,0,0]=4 5886 B11R0.75 CCCCCC(CC)C(=O)CC 1458a_100000697129_100000210202 [0,2,0,0,0,0|1,0,0]=3 5887 B11R0.75 CCCCCC(CC)C(=O)CF 1458a_100000697129_100015361967 [0,2,0,0,0,0|1,0,0]=3 5888 B11R0.75 CCCCCC(CC)C(=O)NC 11a_106832991635_100000697129 [0,2,0,0,0,0|1,0,0]=3 5889 B11R0.75 CCCCCC(CC)C(=O)NC 1626a_100102657272_100000697129 [0,2,0,0,0,0|1,0,0]=3 5890 B11R0.75 CCCCCC(CC)C(=O)NC 240690a_100102657272_100000697129 [0,2,0,0,0,0|1,0,0]=3 5891 B11R0.75 CCCCCC(CC)C(=O)NC 527a_100102657272_100000697129 [0,2,0,0,0,0|1,0,0]=3 5892 B11R0.75 CCCCCC(NC)C(=O)NC 2230a_200121577139_200000210301 [0,2,0,0,0,0|1,0,0]=3 5893 B11R0.75 CCCCCC(NC)C(=O)NC 34a_200121577139_200000210301 [0,2,0,0,0,0|1,0,0]=3 5894 B11R0.75 CCCCCC(N[13CH3])C(=O)NC 2230a_200121577139_200025704644 [0,2,0,0,0,0|1,0,0]=3 5895 B11R0.75 CCCCCC(N[13CH3])C(=O)NC 34a_200121577139_200025704644 [0,2,0,0,0,0|1,0,0]=3 5896 B11R0.75 CCCCNC(CC)C(=O)OC 2230a_100000102301_100000235869 [0,2,0,0,0,0|1,0,0]=3 5897 B11R0.75 CCCCNC(CC)C(=O)OC 7a_106832991798_100000742303 [0,2,0,0,0,0|1,0,0]=3 5898 B11R0.75 CCCCN[C@@H](CC)C(=O)NC 2230a_106657271573_100000210211 [0,2,0,0,0,0|2,0,0]=4 5899 B11R0.75 CCCCN[C@@H](CC)C(=O)NC 34a_106657271573_100000210210 [0,2,0,0,0,0|2,0,0]=4 5900 B11R0.75 CCCCOC(C=O)C(=O)OC 34a_100000210227_100000046368 [0,2,0,0,0,0|1,0,1]=4 5901 B11R0.75 CCCCOC(CC)C(=O)CC 34a_200011218131_100000210210 [0,2,0,0,0,0|2,0,0]=4 5902 B11R0.75 CCCCOC(CC)C(=O)CC 7a_200011218131_100000210211 [0,2,0,0,0,0|2,0,0]=4 5903 B11R0.75 CCCCOC(CC)C(=O)OC 34a_100000210227_100000235869 [0,2,0,0,0,0|1,0,0]=3 5904 B11R0.75 CCCCOC(CC)C(=O)OC 34a_100000695916_100000210210 [0,2,0,0,0,0|1,0,0]=3 5905 B11R0.75 CCCCOC(CC)C(=O)OC 7a_100000210227_100000742303 [0,2,0,0,0,0|1,0,0]=3 5906 B11R0.75 CCCCOC(CC)C(=O)OC 7a_100000695916_100000210211 [0,2,0,0,0,0|1,0,0]=3 5907 B11R0.75 CCCCOC(CN)C(=O)OC 34a_100000695228_100000210210 [0,2,0,0,0,0|1,0,0]=3 5908 B11R0.75 CCCCOC(CO)C(=O)OC 34a_100000210227_100012276630 [0,2,0,0,0,0|1,0,0]=3 5909 B11R0.75 CCCCOC(OC)C(=O)OC 34a_100000036821_100000210210 [0,2,0,0,0,0|1,0,0]=3 5910 B11R0.75 CCCCOC(OC)C(=O)OC 34a_100000210227_100000101307 [0,2,0,0,0,0|1,0,0]=3 5911 B11R0.75 CCCCSC(C=O)C(=O)OC 62a_100000046368_100000210210 [0,2,0,0,0,0|1,0,1]=4 5912 B11R0.75 CCCCSC(C=O)C(=O)OC 62a_100000210211_100000046368 [0,2,0,0,0,0|1,0,1]=4 5913 B11R0.75 CCCCSC(CC)C(=O)OC 62a_100000210211_100000235869 [0,2,0,0,0,0|1,0,0]=3 5914 B11R0.75 CCCCSC(CC)C(=O)OC 62a_100000235869_100000210210 [0,2,0,0,0,0|1,0,0]=3 5915 B11R0.75 CCCCSC(CO)C(=O)OC 62a_100000210211_100012276630 [0,2,0,0,0,0|1,0,0]=3 5916 B11R0.75 CCCCSC(CO)C(=O)OC 62a_100012276630_100000210210 [0,2,0,0,0,0|1,0,0]=3 5917 B11R0.75 CCCCSC(OC)C(=O)OC 62a_100000101307_100000210210 [0,2,0,0,0,0|1,0,0]=3 5918 B11R0.75 CCCCSC(OC)C(=O)OC 62a_100000210211_100000101307 [0,2,0,0,0,0|1,0,0]=3 5919 B11R0.75 CCN(CCCCO)C(=O)CO 240690a_100011217355_100000210174 [0,2,0,0,0,0|2,0,0]=4 5920 B11R0.75 CCOCSC(CC)C(=O)OC 62a_100000235869_100000739092 [0,2,0,0,0,0|2,0,0]=4 5921 B11R0.75 CCOCSC(CC)C(=O)OC 62a_100000739092_100000235869 [0,2,0,0,0,0|2,0,0]=4 5922 B11R0.75 CCOCSC(CO)C(=O)OC 62a_100000739092_100012276630 [0,2,0,0,0,0|2,0,0]=4 5923 B11R0.75 CCOCSC(CO)C(=O)OC 62a_100012276630_100000739092 [0,2,0,0,0,0|2,0,0]=4 5924 B11R0.75 CCOCSC(OC)C(=O)OC 62a_100000101307_100000739092 [0,2,0,0,0,0|2,0,0]=4 5925 B11R0.75 CCOCSC(OC)C(=O)OC 62a_100000739092_100000101307 [0,2,0,0,0,0|2,0,0]=4 5926 B11R0.75 COC(=O)C(CN)OCCCF 34a_100000695228_100011934791 [0,2,0,0,0,0|2,0,0]=4 5927 B11R0.75 COC(=O)C(CN)OCCCO 34a_100000695228_100000230001 [0,2,0,0,0,0|2,0,0]=4 5928 B11R0.75 COC(=O)C(CN)OCCSC 34a_100000695228_100000212216 [0,2,0,0,0,0|2,0,0]=4 5929 B11R0.75 COC(=O)C(CO)NCCCF 34a_100015189416_100012276630 [0,2,0,0,0,0|2,0,0]=4 5930 B11R0.75 COC(=O)C(CO)OCCCBr 34a_100011217188_100012276630 [0,2,0,0,0,0|2,0,0]=4 5931 B11R0.75 COC(=O)C(CO)OCCCCl 34a_100000230001_100012276630 [0,2,0,0,0,0|2,0,0]=4 5932 B11R0.75 COC(=O)C(CO)OCCCF 34a_100000759539_100012276630 [0,2,0,0,0,0|2,0,0]=4 5933 B11R0.75 COC(=O)C(CO)OCCCN 34a_100000182051_100012276630 [0,2,0,0,0,0|2,0,0]=4 5934 B11R0.75 COC(=O)C(CO)OCCSC 34a_100000230434_100012276630 [0,2,0,0,0,0|2,0,0]=4 5935 B11R0.75 COC(=O)C(CO)SCCCF 62a_100011934791_100012276630 [0,2,0,0,0,0|2,0,0]=4 5936 B11R0.75 COC(=O)C(CO)SCCCF 62a_100012276630_100011934791 [0,2,0,0,0,0|2,0,0]=4 5937 B11R0.75 COC(=O)C(CO)SCCCO 62a_100011215043_100012276630 [0,2,0,0,0,0|2,0,0]=4 5938 B11R0.75 COC(=O)C(CO)SCCCO 62a_100012276630_100011215043 [0,2,0,0,0,0|2,0,0]=4 5939 B11R0.75 COC(=O)C(CO)SCCSC 62a_100000212216_100012276630 [0,2,0,0,0,0|2,0,0]=4 5940 B11R0.75 COC(=O)C(CO)SCCSC 62a_100012276630_100000751147 [0,2,0,0,0,0|2,0,0]=4 5941 B11R0.75 COC(=O)C(NCCCF)OC 34a_100015189416_100000101307 [0,2,0,0,0,0|2,0,0]=4 5942 B11R0.75 COC(=O)C(OC)OCCCBr 34a_100011217188_100000101307 [0,2,0,0,0,0|2,0,0]=4 5943 B11R0.75 COC(=O)C(OC)OCCCCl 34a_100000230001_100000101307 [0,2,0,0,0,0|2,0,0]=4 5944 B11R0.75 COC(=O)C(OC)OCCCF 34a_100000036821_100011934791 [0,2,0,0,0,0|2,0,0]=4 5945 B11R0.75 COC(=O)C(OC)OCCCF 34a_100000759539_100000101307 [0,2,0,0,0,0|2,0,0]=4 5946 B11R0.75 COC(=O)C(OC)OCCCN 34a_100000182051_100000101307 [0,2,0,0,0,0|2,0,0]=4 5947 B11R0.75 COC(=O)C(OC)OCCCO 34a_100000036821_100000230001 [0,2,0,0,0,0|2,0,0]=4 5948 B11R0.75 COC(=O)C(OC)OCCSC 34a_100000036821_100000212216 [0,2,0,0,0,0|2,0,0]=4 5949 B11R0.75 COC(=O)C(OC)OCCSC 34a_100000230434_100000101307 [0,2,0,0,0,0|2,0,0]=4 5950 B11R0.75 COC(=O)C(OC)SCCCF 62a_100000101307_100011934791 [0,2,0,0,0,0|2,0,0]=4 5951 B11R0.75 COC(=O)C(OC)SCCCF 62a_100011934791_100000101307 [0,2,0,0,0,0|2,0,0]=4 5952 B11R0.75 COC(=O)C(OC)SCCCO 62a_100000101307_100011215043 [0,2,0,0,0,0|2,0,0]=4 5953 B11R0.75 COC(=O)C(OC)SCCCO 62a_100011215043_100000101307 [0,2,0,0,0,0|2,0,0]=4 5954 B11R0.75 COC(=O)C(OC)SCCSC 62a_100000101307_100000751147 [0,2,0,0,0,0|2,0,0]=4 5955 B11R0.75 COC(=O)C(OC)SCCSC 62a_100000212216_100000101307 [0,2,0,0,0,0|2,0,0]=4 5956 B11R0.75 COCCOC(CN)C(=O)OC 34a_100000695228_100011201679 [0,2,0,0,0,0|2,0,0]=4 5957 B11R0.75 COCCOC(CO)C(=O)OC 34a_100000210237_100012276630 [0,2,0,0,0,0|2,0,0]=4 5958 B11R0.75 COCCOC(OC)C(=O)OC 34a_100000036821_100011201679 [0,2,0,0,0,0|2,0,0]=4 5959 B11R0.75 COCCOC(OC)C(=O)OC 34a_100000210237_100000101307 [0,2,0,0,0,0|2,0,0]=4 5960 B11R0.75 COCCSC(CO)C(=O)OC 62a_100000233755_100012276630 [0,2,0,0,0,0|2,0,0]=4 5961 B11R0.75 COCCSC(CO)C(=O)OC 62a_100012276630_100000233755 [0,2,0,0,0,0|2,0,0]=4 5962 B11R0.75 COCCSC(OC)C(=O)OC 62a_100000101307_100000233755 [0,2,0,0,0,0|2,0,0]=4 5963 B11R0.75 COCCSC(OC)C(=O)OC 62a_100000233755_100000101307 [0,2,0,0,0,0|2,0,0]=4 5964 B11R0.145 C=C(C)CCOC(C)C(=O)OC 34a_100000764851_100000211248 [0,2,0,0,0,0|1,0,1]=4 5965 B11R0.145 C=C(C)CCOC(C)C(=O)OC 34a_100011215400_100000730704 [0,2,0,0,0,0|1,0,1]=4 5966 B11R0.145 C=C(C)CCSC(C)C(=O)OC 62a_100000211248_100000730704 [0,2,0,0,0,0|1,0,1]=4 5967 B11R0.145 C=C(C)CCSC(C)C(=O)OC 62a_100000730704_100000211248 [0,2,0,0,0,0|1,0,1]=4 5968 B11R0.145 C=C(C)COCC(C)C(=O)OC 34a_100000210245_100000698445 [0,2,0,0,0,0|1,0,1]=4 5969 B11R0.145 C=C(C)COCC(C)C(=O)OC 34a_100000749362_100000748629 [0,2,0,0,0,0|1,0,1]=4 5970 B11R0.145 C=C(C)COCC(C)C(=O)OC 7a_100000749362_100000748629 [0,2,0,0,0,0|1,0,1]=4 5971 B11R0.145 C=C(C)CSCC(C)C(=O)OC 62a_100000698445_100000211660 [0,2,0,0,0,0|1,0,1]=4 5972 B11R0.145 C=C(C)CSCC(C)C(=O)OC 62a_100000748629_100000698445 [0,2,0,0,0,0|1,0,1]=4 5973 B11R0.145 CC(C)CCOC(C)C(=O)NN 34a_100000725659_100000210312 [0,2,0,0,0,0|2,0,0]=4 5974 B11R0.145 CC(O)CCOC(C)C(=O)NN 34a_100000725659_100012276601 [0,2,0,0,0,0|2,0,0]=4 5975 B11R0.145 CCC(=O)C(C)NCCC(C)O 2230a_200000755665_100000742827 [0,2,0,0,0,0|2,0,0]=4 5976 B11R0.145 CCC(=O)C(C)OCCC(C)C 7a_100000210254_100000742827 [0,2,0,0,0,0|2,0,0]=4 5977 B11R0.145 CCC(=O)C(C)SCCC(C)C 62a_100000210312_100000742827 [0,2,0,0,0,0|2,0,0]=4 5978 B11R0.145 CCC(=O)C(C)SCCC(C)C 62a_100000742827_100000210312 [0,2,0,0,0,0|2,0,0]=4 5979 B11R0.145 CCC(=O)C(C)SCCC(C)O 62a_100000742827_100012276601 [0,2,0,0,0,0|2,0,0]=4 5980 B11R0.145 CCC(=O)C(C)SCCC(C)O 62a_100012276601_100000742827 [0,2,0,0,0,0|2,0,0]=4 5981 B11R0.145 CN(C)CCCN(C)C(=O)CO 240690a_100000225831_100000210174 [0,2,0,0,0,0|2,0,0]=4 5982 B11R0.145 CNC(=O)C(C)CNCC(C)C 2230a_100015187722_100000210760 [0,2,0,0,0,0|2,0,0]=4 5983 B11R0.145 CNC(=O)C(C)CNCC(C)C 270004a_100015187722_100000210432 [0,2,0,0,0,0|2,0,0]=4 5984 B11R0.145 CNC(=O)C(C)CNCC(C)C 34a_100015187722_100000210624 [0,2,0,0,0,0|2,0,0]=4 5985 B11R0.145 CNC(=O)C(C)CNCC(C)O 2230a_100015187722_100011218427 [0,2,0,0,0,0|2,0,0]=4 5986 B11R0.145 CNC(=O)C(C)CNCC(C)O 34a_100015187722_100011218427 [0,2,0,0,0,0|2,0,0]=4 5987 B11R0.145 CNC(=O)C(C)CNC[C@@H](C)O 2230a_100015187722_100009817552 [0,2,0,0,0,0|2,0,0]=4 5988 B11R0.145 CNC(=O)C(C)CNC[C@@H](C)O 34a_100015187722_100009817552 [0,2,0,0,0,0|2,0,0]=4 5989 B11R0.145 CNC(=O)C(C)NCCC(C)O 2230a_200000755665_100000731044 [0,2,0,0,0,0|2,0,0]=4 5990 B11R0.145 CNC(=O)C(C)OCCC(C)Br 34a_100009893172_100000731044 [0,2,0,0,0,0|2,0,0]=4 5991 B11R0.145 CNC(=O)C(C)OCCC(C)C 34a_100000210254_100000731044 [0,2,0,0,0,0|2,0,0]=4 5992 B11R0.145 CNC(=O)C(C)OCCC(C)C 7a_100000210254_100000209862 [0,2,0,0,0,0|2,0,0]=4 5993 B11R0.145 CNC(=O)C(C)OCC[C@@H](C)N 34a_100000706166_100000731044 [0,2,0,0,0,0|2,0,0]=4 5994 B11R0.145 CNC(=O)C(C)SCCC(C)C 62a_100000209862_100000210312 [0,2,0,0,0,0|2,0,0]=4 5995 B11R0.145 CNC(=O)C(C)SCCC(C)C 62a_100000210312_100000731044 [0,2,0,0,0,0|2,0,0]=4 5996 B11R0.145 CNC(=O)C(C)SCCC(C)O 62a_100000209862_100012276601 [0,2,0,0,0,0|2,0,0]=4 5997 B11R0.145 CNC(=O)C(C)SCCC(C)O 62a_100012276601_100000731044 [0,2,0,0,0,0|2,0,0]=4 5998 B11R0.145 CNC(=O)[C@@H](C)NCCC(C)C 2230a_100000684985_100000210312 [0,2,0,0,0,0|2,0,0]=4 5999 B11R0.145 CNC(=O)[C@@H](C)NCCC(C)C 34a_100000684985_100000210312 [0,2,0,0,0,0|2,0,0]=4 6000 B11R0.145 CNC(=O)[C@@H](C)NCCC(C)O 2230a_100000684985_100012276601 [0,2,0,0,0,0|2,0,0]=4 6001 B11R0.145 CNC(=O)[C@@H](C)NCCC(C)O 34a_100000684985_100012276601 [0,2,0,0,0,0|2,0,0]=4 6002 B11R0.145 COC(=O)C(C)CCNC(C)C 2230a_100138425928_100000034942 [0,2,0,0,0,0|1,0,0]=3 6003 B11R0.145 COC(=O)C(C)CCNC(C)C 34a_100138425928_100000034942 [0,2,0,0,0,0|1,0,0]=3 6004 B11R0.145 COC(=O)C(C)CCOC(C)C 34a_100000212225_100000034942 [0,2,0,0,0,0|1,0,0]=3 6005 B11R0.145 COC(=O)C(C)CCSC(C)C 62a_100000034942_100000210206 [0,2,0,0,0,0|1,0,0]=3 6006 B11R0.145 COC(=O)C(C)CCSC(C)C 62a_100000210206_100000034942 [0,2,0,0,0,0|1,0,0]=3 6007 B11R0.145 COC(=O)C(C)CNCC(C)C 34a_100000210953_100000698445 [0,2,0,0,0,0|1,0,0]=3 6008 B11R0.145 COC(=O)C(C)CNCC(C)O 34a_100000210904_100000698445 [0,2,0,0,0,0|1,0,0]=3 6009 B11R0.145 COC(=O)C(C)CNCC(F)F 34a_100000765723_100000698445 [0,2,0,0,0,0|2,0,0]=4 6010 B11R0.145 COC(=O)C(C)COCC(=O)C 34a_100000211253_100000698445 [0,2,0,0,0,0|1,0,1]=4 6011 B11R0.145 COC(=O)C(C)COCC(C)Br 34a_100012180447_100000698445 [0,2,0,0,0,0|1,0,0]=3 6012 B11R0.145 COC(=O)C(C)COCC(C)C 34a_100000210257_100000698445 [0,2,0,0,0,0|1,0,0]=3 6013 B11R0.145 COC(=O)C(C)COCC(C)C 34a_100000749362_100000210624 [0,2,0,0,0,0|1,0,0]=3 6014 B11R0.145 COC(=O)C(C)COCC(C)C 7a_100000749362_100000210760 [0,2,0,0,0,0|1,0,0]=3 6015 B11R0.145 COC(=O)C(C)COCC(C)F 34a_100015925927_100000698445 [0,2,0,0,0,0|1,0,0]=3 6016 B11R0.145 COC(=O)C(C)COCC(C)O 34a_100000749362_100011218427 [0,2,0,0,0,0|1,0,0]=3 6017 B11R0.145 COC(=O)C(C)COCC(C)O 7a_100000749362_100011218427 [0,2,0,0,0,0|1,0,0]=3 6018 B11R0.145 COC(=O)C(C)COCC(F)F 34a_100000743014_100000698445 [0,2,0,0,0,0|2,0,0]=4 6019 B11R0.145 COC(=O)C(C)COCC(F)F 34a_100000749362_100011934356 [0,2,0,0,0,0|2,0,0]=4 6020 B11R0.145 COC(=O)C(C)COCC(F)F 7a_100000749362_100011934356 [0,2,0,0,0,0|2,0,0]=4 6021 B11R0.145 COC(=O)C(C)COC[C@@H](C)Cl 34a_100016084084_100000698445 [0,2,0,0,0,0|1,0,0]=3 6022 B11R0.145 COC(=O)C(C)COC[C@@H](C)N 34a_100000737577_100000698445 [0,2,0,0,0,0|1,0,0]=3 6023 B11R0.145 COC(=O)C(C)COC[C@@H](C)O 34a_100000749362_100009817552 [0,2,0,0,0,0|1,0,0]=3 6024 B11R0.145 COC(=O)C(C)COC[C@@H](C)O 7a_100000749362_100009817552 [0,2,0,0,0,0|1,0,0]=3 6025 B11R0.145 COC(=O)C(C)CSCC(C)C 62a_100000210624_100000698445 [0,2,0,0,0,0|1,0,0]=3 6026 B11R0.145 COC(=O)C(C)CSCC(C)C 62a_100000698445_100000210760 [0,2,0,0,0,0|1,0,0]=3 6027 B11R0.145 COC(=O)C(C)CSCC(C)O 62a_100000698445_100011218427 [0,2,0,0,0,0|1,0,0]=3 6028 B11R0.145 COC(=O)C(C)CSCC(C)O 62a_100011218427_100000698445 [0,2,0,0,0,0|1,0,0]=3 6029 B11R0.145 COC(=O)C(C)CSCC(F)F 62a_100000698445_100011934356 [0,2,0,0,0,0|2,0,0]=4 6030 B11R0.145 COC(=O)C(C)CSCC(F)F 62a_100011934356_100000698445 [0,2,0,0,0,0|2,0,0]=4 6031 B11R0.145 COC(=O)C(C)CSC[C@@H](C)O 62a_100000698445_100009817552 [0,2,0,0,0,0|1,0,0]=3 6032 B11R0.145 COC(=O)C(C)CSC[C@@H](C)O 62a_100009817552_100000698445 [0,2,0,0,0,0|1,0,0]=3 6033 B11R0.145 COC(=O)C(C)NCCC(C)O 2230a_200000755665_100000211248 [0,2,0,0,0,0|1,0,0]=3 6034 B11R0.145 COC(=O)C(C)OCCC(=O)C 34a_100000759926_100000211248 [0,2,0,0,0,0|1,0,1]=4 6035 B11R0.145 COC(=O)C(C)OCCC(=O)C 7a_100000759926_100000211248 [0,2,0,0,0,0|1,0,1]=4 6036 B11R0.145 COC(=O)C(C)OCCC(C)Br 34a_100009893172_100000211248 [0,2,0,0,0,0|1,0,0]=3 6037 B11R0.145 COC(=O)C(C)OCCC(C)C 34a_100000210254_100000211248 [0,2,0,0,0,0|1,0,0]=3 6038 B11R0.145 COC(=O)C(C)OCCC(C)C 34a_100011215400_100000210312 [0,2,0,0,0,0|1,0,0]=3 6039 B11R0.145 COC(=O)C(C)OCCC(C)C 7a_100000210254_100000211248 [0,2,0,0,0,0|1,0,0]=3 6040 B11R0.145 COC(=O)C(C)OCCC(C)O 34a_100011215400_100012276601 [0,2,0,0,0,0|1,0,0]=3 6041 B11R0.145 COC(=O)C(C)OCCC(F)F 34a_100103093639_100000211248 [0,2,0,0,0,0|2,0,0]=4 6042 B11R0.145 COC(=O)C(C)OCC[C@@H](C)N 34a_100000706166_100000211248 [0,2,0,0,0,0|1,0,0]=3 6043 B11R0.145 COC(=O)C(C)OCOC(C)C 34a_100011215400_100000709892 [0,2,0,0,0,0|2,0,0]=4 6044 B11R0.145 COC(=O)C(C)SCCC(=O)C 62a_100000053229_100000211248 [0,2,0,0,0,0|1,0,1]=4 6045 B11R0.145 COC(=O)C(C)SCCC(=O)C 62a_100000211248_100000053229 [0,2,0,0,0,0|1,0,1]=4 6046 B11R0.145 COC(=O)C(C)SCCC(C)C 62a_100000210312_100000211248 [0,2,0,0,0,0|1,0,0]=3 6047 B11R0.145 COC(=O)C(C)SCCC(C)C 62a_100000211248_100000210312 [0,2,0,0,0,0|1,0,0]=3 6048 B11R0.145 COC(=O)C(C)SCCC(C)O 62a_100000211248_100012276601 [0,2,0,0,0,0|1,0,0]=3 6049 B11R0.145 COC(=O)C(C)SCCC(C)O 62a_100012276601_100000211248 [0,2,0,0,0,0|1,0,0]=3 6050 B11R0.145 COC(=O)C(C)SCCN(C)C 62a_100000211248_100000755713 [0,2,0,0,0,0|2,0,0]=4 6051 B11R0.145 COC(=O)C(C)SCOC(C)C 62a_100000211248_100000709892 [0,2,0,0,0,0|2,0,0]=4 6052 B11R0.145 COC(=O)C(C)SCOC(C)C 62a_100000709892_100000211248 [0,2,0,0,0,0|2,0,0]=4 6053 B11R0.145 COC(=O)C(F)COCC(C)C 34a_200009849844_100000210624 [0,2,0,0,0,0|2,0,0]=4 6054 B11R0.145 COC(=O)C(F)COCC(C)O 34a_200009849844_100011218427 [0,2,0,0,0,0|2,0,0]=4 6055 B11R0.145 COC(=O)C(F)COC[C@@H](C)O 34a_200009849844_100009817552 [0,2,0,0,0,0|2,0,0]=4 6056 B11R0.145 COC(=O)N(C)CCCC(=O)C 1458a_100000752137_200000210301 [0,2,0,0,0,0|1,0,1]=4 6057 B11R0.145 COC(=O)N(C)CCCC(=O)[13CH3] 1458a_100000752137_200025704644 [0,2,0,0,0,0|1,0,1]=4 6058 B11R0.145 COC(=O)[C@H](N)COCC(C)C 34a_100000003586_100000210624 [0,2,0,0,0,0|2,0,0]=4 6059 B11R0.145 COC(=O)[C@H](N)COCC(C)O 34a_100000003586_100011218427 [0,2,0,0,0,0|2,0,0]=4 6060 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 6061 B11R0.155 C#CCC(=O)C(C)CCCCC 1458a_100011215998_100000184674 [0,2,0,0,0,0|1,0,0]=3 6062 B11R0.155 C#CCC(=O)C(C)CCCCC 1458a_100011220946_200011218191 [0,2,0,0,0,0|1,0,0]=3 6063 B11R0.155 C#CCC(=O)C(C)SCCCC 1458a_100000191163_100000184674 [0,2,0,0,0,0|2,0,0]=4 6064 B11R0.155 C#CCC(=O)N(C)CCCCC 1626a_100000223495_100011220946 [0,2,0,0,0,0|2,0,0]=4 6065 B11R0.155 C#CCC(=O)N(C)CCCCC 527a_100000223495_100011220946 [0,2,0,0,0,0|2,0,0]=4 6066 B11R0.155 C=CCC(=O)C(C)CCCCC 1458a_100000210193_200011218191 [0,2,0,0,0,0|1,0,0]=3 6067 B11R0.155 C=CCC(=O)C(C)CCCCC 1458a_100011215998_100000210623 [0,2,0,0,0,0|1,0,0]=3 6068 B11R0.155 C=CCC(=O)C(C)SCCCC 1458a_100000191163_100000210623 [0,2,0,0,0,0|2,0,0]=4 6069 B11R0.155 C=CCC(=O)N(C)CCCCC 11a_100000223495_100000210193 [0,2,0,0,0,0|2,0,0]=4 6070 B11R0.155 C=CCC(=O)N(C)CCCCC 1626a_100000223495_100000210193 [0,2,0,0,0,0|2,0,0]=4 6071 B11R0.155 C=CCC(=O)N(C)CCCCC 240690a_100000223495_100000210193 [0,2,0,0,0,0|2,0,0]=4 6072 B11R0.155 C=CCC(=O)N(C)CCCCC 527a_100000223495_100000210193 [0,2,0,0,0,0|2,0,0]=4 6073 B11R0.155 CC#CC(=O)C(C)CCCCC 1458a_100000763181_200011218191 [0,2,0,0,0,0|1,0,0]=3 6074 B11R0.155 CC=CC(=O)C(C)CCCCC 1458a_100000210699_200011218191 [0,2,0,0,0,0|1,0,0]=3 6075 B11R0.155 CC=CC(=O)N(C)CCCCC 11a_100000223495_100000210699 [0,2,0,0,0,0|2,0,0]=4 6076 B11R0.155 CC=CC(=O)N(C)CCCCC 1626a_100000223495_100000210699 [0,2,0,0,0,0|2,0,0]=4 6077 B11R0.155 CC=CC(=O)N(C)CCCCC 240690a_100000223495_100000210699 [0,2,0,0,0,0|2,0,0]=4 6078 B11R0.155 CCCCCC(C)C(=O)C=CBr 1458a_100016273825_200011218191 [0,2,0,0,0,0|1,0,0]=3 6079 B11R0.155 CCCCCC(C)C(=O)C=CCl 1458a_200016279998_200011218191 [0,2,0,0,0,0|1,0,0]=3 6080 B11R0.155 CCCCCC(C)C(=O)C=CI 1458a_100016256311_200011218191 [0,2,0,0,0,0|1,0,0]=3 6081 B11R0.155 CCCCCC(C)C(=O)CC#N 1458a_100011215998_100011214920 [0,2,0,0,0,0|1,0,0]=3 6082 B11R0.155 CCCCCC(C)C(=O)CC#N 1458a_100051588842_200011218191 [0,2,0,0,0,0|1,0,0]=3 6083 B11R0.155 CCCCCC(C)C(=O)CCC 1458a_100000211992_200011218191 [0,2,0,0,0,0|1,0,0]=3 6084 B11R0.155 CCCCCC(C)C(=O)CCC 1458a_100011215998_100000210303 [0,2,0,0,0,0|1,0,0]=3 6085 B11R0.155 CCCCCC(C)C(=O)CCF 1458a_100011215998_100011217306 [0,2,0,0,0,0|1,0,0]=3 6086 B11R0.155 CCCCCC(C)C(=O)CCO 1458a_100011215998_100000211926 [0,2,0,0,0,0|0,0,0]=2 6087 B11R0.155 CCCCCC(C)C(=O)CCO 1458a_100011216618_200011218191 [0,2,0,0,0,0|0,0,0]=2 6088 B11R0.155 CCCCCC(C)C(=O)COC 1458a_100000210968_200011218191 [0,2,0,0,0,0|0,0,0]=2 6089 B11R0.155 CCCCCC(C)C(=O)CSC 1458a_100000184570_200011218191 [0,2,0,0,0,0|0,1,0]=3 6090 B11R0.155 CCCCCC(C)C(=O)NCC 11a_100015525214_100011215998 [0,2,0,0,0,0|1,0,0]=3 6091 B11R0.155 CCCCCC(C)C(=O)NCC 240690a_100015525214_100011215998 [0,2,0,0,0,0|1,0,0]=3 6092 B11R0.155 CCCCCC(C)C(=O)NCC 527a_100015525214_100011215998 [0,2,0,0,0,0|1,0,0]=3 6093 B11R0.155 CCCCCC(C)C(=O)NNC 22a_100016993582_100011215998 [0,2,0,0,0,0|1,0,0]=3 6094 B11R0.155 CCCCCC(C)N(C)CCO 2230a_100000210263_200011218191 [0,2,0,0,0,0|2,0,0]=4 6095 B11R0.155 CCCCCC(C)N(C)CCO 269982a_100000210263_200011218191 [0,2,0,0,0,0|2,0,0]=4 6096 B11R0.155 CCCCCC(C)N(C)CCO 270004a_100000210263_100000211708 [0,2,0,0,0,0|2,0,0]=4 6097 B11R0.155 CCCCCN(C)C(=O)C=CBr 1626a_100000223495_100016273825 [0,2,0,0,0,0|2,0,0]=4 6098 B11R0.155 CCCCCN(C)C(=O)C=CBr 240690a_100000223495_100016273825 [0,2,0,0,0,0|2,0,0]=4 6099 B11R0.155 CCCCCN(C)C(=O)C=CCl 11a_100000223495_200016279998 [0,2,0,0,0,0|2,0,0]=4 6100 B11R0.155 CCCCCN(C)C(=O)C=CCl 1626a_100000223495_200016279998 [0,2,0,0,0,0|2,0,0]=4 6101 B11R0.155 CCCCCN(C)C(=O)C=CCl 240690a_100000223495_200016279998 [0,2,0,0,0,0|2,0,0]=4 6102 B11R0.155 CCCCCN(C)C(=O)C=CI 1626a_100000223495_100016256311 [0,2,0,0,0,0|2,0,0]=4 6103 B11R0.155 CCCCCN(C)C(=O)CC#N 1626a_100000223495_100051588842 [0,2,0,0,0,0|2,0,0]=4 6104 B11R0.155 CCCCCN(C)C(=O)CC#N 240690a_100000223495_100051588842 [0,2,0,0,0,0|2,0,0]=4 6105 B11R0.155 CCCCCN(C)C(=O)CCC 11a_100000223495_100000211992 [0,2,0,0,0,0|2,0,0]=4 6106 B11R0.155 CCCCCN(C)C(=O)CCC 1626a_100000223495_100000211992 [0,2,0,0,0,0|2,0,0]=4 6107 B11R0.155 CCCCCN(C)C(=O)CCC 240690a_100000223495_100000211992 [0,2,0,0,0,0|2,0,0]=4 6108 B11R0.155 CCCCCN(C)C(=O)CCC 527a_100000223495_100000211992 [0,2,0,0,0,0|2,0,0]=4 6109 B11R0.155 CCCCCN(C)C(=O)CCO 240690a_100000223495_100011216618 [0,2,0,0,0,0|1,0,0]=3 6110 B11R0.155 CCCCCN(C)C(=O)COC 11a_100000223495_100000210968 [0,2,0,0,0,0|1,0,0]=3 6111 B11R0.155 CCCCCN(C)C(=O)COC 1626a_100000223495_100000210968 [0,2,0,0,0,0|1,0,0]=3 6112 B11R0.155 CCCCCN(C)C(=O)COC 240690a_100000223495_100000210968 [0,2,0,0,0,0|1,0,0]=3 6113 B11R0.155 CCCCCN(C)C(=O)COC 527a_100000223495_100000210968 [0,2,0,0,0,0|1,0,0]=3 6114 B11R0.155 CCCCCN(C)C(=O)CSC 11a_100000223495_100000184570 [0,2,0,0,0,0|1,1,0]=4 6115 B11R0.155 CCCCCN(C)C(=O)CSC 1626a_100000223495_100000184570 [0,2,0,0,0,0|1,1,0]=4 6116 B11R0.155 CCCCCN(C)C(=O)CSC 240690a_100000223495_100000184570 [0,2,0,0,0,0|1,1,0]=4 6117 B11R0.155 CCCCCN(C)C(=O)CSC 527a_100000223495_100000184570 [0,2,0,0,0,0|1,1,0]=4 6118 B11R0.155 CCCCCN(C)C(=O)NCC 2708a_100015525214_100000223495 [0,2,0,0,0,0|2,0,0]=4 6119 B11R0.155 CCCCCN(C)C(=O)NCC 273464a_100015525214_100000223495 [0,2,0,0,0,0|2,0,0]=4 6120 B11R0.155 CCCCNC(C)C(=O)NCC 2230a_100000102301_100000230173 [0,2,0,0,0,0|2,0,0]=4 6121 B11R0.155 CCCCNC(C)C(=O)NCC 2230a_100000736553_100000210211 [0,2,0,0,0,0|2,0,0]=4 6122 B11R0.155 CCCCNC(C)C(=O)NCC 34a_100000736553_100000210210 [0,2,0,0,0,0|2,0,0]=4 6123 B11R0.155 CCCCNC(C)C(=O)NCC 7a_106832991798_100000230173 [0,2,0,0,0,0|2,0,0]=4 6124 B11R0.155 CCCCNC(C)C(=O)OCC 2230a_100000102301_100011215307 [0,2,0,0,0,0|1,0,0]=3 6125 B11R0.155 CCCCNC(C)C(=O)OCC 7a_106832991798_100011216346 [0,2,0,0,0,0|1,0,0]=3 6126 B11R0.155 CCCCNC(F)C(=O)OCC 2230a_100000102301_100000760018 [0,2,0,0,0,0|2,0,0]=4 6127 B11R0.155 CCCCNC(F)C(=O)OCC 7a_106832991798_100000040065 [0,2,0,0,0,0|2,0,0]=4 6128 B11R0.155 CCCCN[C@@H](C)C(=O)SCC 2230a_100103168634_100000210211 [0,2,0,0,0,0|1,1,0]=4 6129 B11R0.155 CCCCOC(C)C(=O)NCC 34a_100000210227_100000230173 [0,2,0,0,0,0|2,0,0]=4 6130 B11R0.155 CCCCOC(C)C(=O)NCC 7a_100000210227_100000230173 [0,2,0,0,0,0|2,0,0]=4 6131 B11R0.155 CCCCOC(C)C(=O)OCC 34a_100000210227_100011216346 [0,2,0,0,0,0|1,0,0]=3 6132 B11R0.155 CCCCOC(C)C(=O)OCC 7a_100000210227_100011216346 [0,2,0,0,0,0|1,0,0]=3 6133 B11R0.155 CCCCOC(F)C(=O)OCC 34a_100000210227_100000760018 [0,2,0,0,0,0|2,0,0]=4 6134 B11R0.155 CCCCOC(F)C(=O)OCC 7a_100000210227_100000040065 [0,2,0,0,0,0|2,0,0]=4 6135 B11R0.155 CCCCO[C@@H](C)C(=O)OCC 7a_100000751109_100000210211 [0,2,0,0,0,0|1,0,0]=3 6136 B11R0.155 CCCCSC(C)C(=O)CC#N 1458a_100000191163_100011214920 [0,2,0,0,0,0|2,0,0]=4 6137 B11R0.155 CCCCSC(C)C(=O)CCC 1458a_100000191163_100000210303 [0,2,0,0,0,0|2,0,0]=4 6138 B11R0.155 CCCCSC(C)C(=O)CCF 1458a_100000191163_100011217306 [0,2,0,0,0,0|2,0,0]=4 6139 B11R0.155 CCCCSC(C)C(=O)CCO 1458a_100000191163_100000211926 [0,2,0,0,0,0|1,0,0]=3 6140 B11R0.155 CCCCSC(C)C(=O)NCC 11a_100015525214_100000191163 [0,2,0,0,0,0|2,0,0]=4 6141 B11R0.155 CCCCSC(C)C(=O)NCC 240690a_100015525214_100000191163 [0,2,0,0,0,0|2,0,0]=4 6142 B11R0.155 CCCCSC(C)C(=O)NCC 527a_100015525214_100000191163 [0,2,0,0,0,0|2,0,0]=4 6143 B11R0.155 CCCCSC(C)C(=O)NCC 62a_100000210211_100000230173 [0,2,0,0,0,0|2,0,0]=4 6144 B11R0.155 CCCCSC(C)C(=O)NCC 62a_100000230173_100000210210 [0,2,0,0,0,0|2,0,0]=4 6145 B11R0.155 CCCCSC(C)C(=O)NNC 22a_100016993582_100000191163 [0,2,0,0,0,0|2,0,0]=4 6146 B11R0.155 CCCCSC(C)C(=O)OCC 62a_100000210211_100011216346 [0,2,0,0,0,0|1,0,0]=3 6147 B11R0.155 CCCCSC(C)C(=O)OCC 62a_100011216346_100000210210 [0,2,0,0,0,0|1,0,0]=3 6148 B11R0.155 CCCCSC(F)C(=O)OCC 62a_100000210211_100000760018 [0,2,0,0,0,0|2,0,0]=4 6149 B11R0.155 CCCCSC(F)C(=O)OCC 62a_100000760018_100000210210 [0,2,0,0,0,0|2,0,0]=4 6150 B11R0.155 CCOC(=O)C(C)NCCCF 2230a_100015189416_100011215307 [0,2,0,0,0,0|2,0,0]=4 6151 B11R0.155 CCOC(=O)C(C)NCCCF 34a_100015189416_100011216346 [0,2,0,0,0,0|2,0,0]=4 6152 B11R0.155 CCOC(=O)C(C)NCCOC 2230a_100000209980_100011215307 [0,2,0,0,0,0|2,0,0]=4 6153 B11R0.155 CCOC(=O)C(C)NCCSC 2230a_100020590264_100011215307 [0,2,0,0,0,0|2,0,0]=4 6154 B11R0.155 CCOC(=O)C(C)OCCCBr 34a_100011217188_100011216346 [0,2,0,0,0,0|2,0,0]=4 6155 B11R0.155 CCOC(=O)C(C)OCCCCl 34a_100000230001_100011216346 [0,2,0,0,0,0|2,0,0]=4 6156 B11R0.155 CCOC(=O)C(C)OCCCF 34a_100000759539_100011216346 [0,2,0,0,0,0|2,0,0]=4 6157 B11R0.155 CCOC(=O)C(C)OCCCN 34a_100000182051_100011216346 [0,2,0,0,0,0|2,0,0]=4 6158 B11R0.155 CCOC(=O)C(C)OCCOC 34a_100000210237_100011216346 [0,2,0,0,0,0|2,0,0]=4 6159 B11R0.155 CCOC(=O)C(C)OCCSC 34a_100000230434_100011216346 [0,2,0,0,0,0|2,0,0]=4 6160 B11R0.155 CCOC(=O)C(C)OCCSC 7a_100000230434_100011216346 [0,2,0,0,0,0|2,0,0]=4 6161 B11R0.155 CCOC(=O)C(C)SCCCF 62a_100011216346_100011934791 [0,2,0,0,0,0|2,0,0]=4 6162 B11R0.155 CCOC(=O)C(C)SCCCF 62a_100011934791_100011216346 [0,2,0,0,0,0|2,0,0]=4 6163 B11R0.155 CCOC(=O)C(C)SCCCO 62a_100011215043_100011216346 [0,2,0,0,0,0|2,0,0]=4 6164 B11R0.155 CCOC(=O)C(C)SCCCO 62a_100011216346_100011215043 [0,2,0,0,0,0|2,0,0]=4 6165 B11R0.155 CCOC(=O)C(C)SCCOC 62a_100000233755_100011216346 [0,2,0,0,0,0|2,0,0]=4 6166 B11R0.155 CCOC(=O)C(C)SCCOC 62a_100011216346_100000233755 [0,2,0,0,0,0|2,0,0]=4 6167 B11R0.155 CCOC(=O)C(C)SCCSC 62a_100000212216_100011216346 [0,2,0,0,0,0|2,0,0]=4 6168 B11R0.155 CCOC(=O)C(C)SCCSC 62a_100011216346_100000751147 [0,2,0,0,0,0|2,0,0]=4 6169 B11R0.155 CCOC(=O)[C@H](C)OCCCF 7a_100000751109_100011934791 [0,2,0,0,0,0|2,0,0]=4 6170 B11R0.155 CCOC(=O)[C@H](C)OCCCO 7a_100000751109_100011215043 [0,2,0,0,0,0|2,0,0]=4 6171 B11R0.155 CCOC(=O)[C@H](C)OCCOC 7a_100000751109_100000233755 [0,2,0,0,0,0|2,0,0]=4 6172 B11R0.155 CCOC(=O)[C@H](C)OCCSC 7a_100000751109_100000212216 [0,2,0,0,0,0|2,0,0]=4 6173 B11R0.155 CCOCSC(C)C(=O)OCC 62a_100000739092_100011216346 [0,2,0,0,0,0|2,0,0]=4 6174 B11R0.155 CCOCSC(C)C(=O)OCC 62a_100011216346_100000739092 [0,2,0,0,0,0|2,0,0]=4 6175 B11R0.155 CN(CCCCO)C(=O)CCO 240690a_100000717598_100011216618 [0,2,0,0,0,0|2,0,0]=4 6176 B11R0.155 COCC(=O)N(C)CCCCO 240690a_100000717598_100000210968 [0,2,0,0,0,0|2,0,0]=4 6177 B11R0.155 COCCCN(C)C(=O)CCO 240690a_100000224831_100011216618 [0,2,0,0,0,0|2,0,0]=4 6178 B11R0.155 COCCCN(C)C(=O)COC 11a_100000224831_100000210968 [0,2,0,0,0,0|2,0,0]=4 6179 B11R0.155 COCCCN(C)C(=O)COC 1626a_100000224831_100000210968 [0,2,0,0,0,0|2,0,0]=4 6180 B11R0.155 COCCCN(C)C(=O)COC 240690a_100000224831_100000210968 [0,2,0,0,0,0|2,0,0]=4 6181 B11R0.155 COCCCN(C)C(=O)COC 527a_100000224831_100000210968 [0,2,0,0,0,0|2,0,0]=4 6182 B11R0.78 CCCCCC(CCC)C(=O)C 1458a_200011416452_200000210301 [0,2,0,0,0,0|1,0,0]=3 6183 B11R0.78 CCCCCC(CCC)C(=O)[13CH3] 1458a_200011416452_200025704644 [0,2,0,0,0,0|1,0,0]=3 6184 B11R0.78 CCCCCN(CCC)C(=O)C 11a_200000226819_100015343762 [0,2,0,0,0,0|2,0,0]=4 6185 B11R0.78 CCCCCN(CCC)C(=O)C 1626a_200000226819_100015343762 [0,2,0,0,0,0|2,0,0]=4 6186 B11R0.78 CCCCCN(CCC)C(=O)C 240690a_200000226819_100015343762 [0,2,0,0,0,0|2,0,0]=4 6187 B11R0.78 CCCCCN(CCC)C(=O)C 527a_200000226819_100103153847 [0,2,0,0,0,0|2,0,0]=4 6188 B11R0.78 CCCCCN(CCO)C(=O)C 240690a_100000224656_100015343762 [0,2,0,0,0,0|2,0,0]=4 6189 B11R0.78 CCCCCN(CCO)C(=O)C 527a_100000224656_100103153847 [0,2,0,0,0,0|2,0,0]=4 6190 B11R0.78 CCCCN[C@@H](CCC)C(=O)N 2230a_100000729256_100000210211 [0,2,0,0,0,0|2,0,0]=4 6191 B11R0.78 CCCCN[C@@H](CCC)C(=O)N 34a_100000729256_100000210210 [0,2,0,0,0,0|2,0,0]=4 6192 B11R0.78 CCCCN[C@@H](CCC)C(=O)O 269956a_100000750406_100000210211 [0,2,0,0,0,0|1,0,0]=3 6193 B11R0.78 CCCCN[C@@H](CSC)C(=O)O 269956a_100011421858_100000210211 [0,2,0,0,0,0|1,0,0]=3 6194 B11R0.78 CCCCN[C@@H](C[Se]C)C(=O)O 269956a_100015254316_100000210211 [0,2,0,0,0,0|1,0,0]=3 6195 B11R0.78 CCCCN[C@H](COC)C(=O)O 269956a_100011998655_100000210211 [0,2,0,0,0,0|1,0,0]=3 6196 B11R0.78 CCCCOC(CCC)C(=O)N 34a_100011626294_100000210210 [0,2,0,0,0,0|2,0,0]=4 6197 B11R0.78 CCCCOC(CCC)C(=O)N 7a_100011626294_100000210211 [0,2,0,0,0,0|2,0,0]=4 6198 B11R0.78 CCC[C@H](NCCCF)C(=O)O 269956a_100000750406_100011934791 [0,2,0,0,0,0|2,0,0]=4 6199 B11R0.78 CCC[C@H](NCCCO)C(=O)O 269956a_100000750406_100011215043 [0,2,0,0,0,0|2,0,0]=4 6200 B11R0.78 CCC[C@H](NCCOC)C(=O)O 269956a_100000750406_100000233755 [0,2,0,0,0,0|2,0,0]=4 6201 B11R0.78 CCC[C@H](NCCSC)C(=O)O 269956a_100000750406_100000212216 [0,2,0,0,0,0|2,0,0]=4 6202 B11R0.78 CCC[C@H](NCOCC)C(=O)O 269956a_100000750406_100000739092 [0,2,0,0,0,0|2,0,0]=4 6203 B11R0.78 CCOCN[C@@H](CSC)C(=O)O 269956a_100011421858_100000739092 [0,2,0,0,0,0|2,0,0]=4 6204 B11R0.78 CCOCN[C@@H](C[Se]C)C(=O)O 269956a_100015254316_100000739092 [0,2,0,0,0,0|2,0,0]=4 6205 B11R0.78 CCOCN[C@H](COC)C(=O)O 269956a_100011998655_100000739092 [0,2,0,0,0,0|2,0,0]=4 6206 B11R0.78 COCCN[C@@H](CSC)C(=O)O 269956a_100011421858_100000233755 [0,2,0,0,0,0|2,0,0]=4 6207 B11R0.78 COCCN[C@@H](C[Se]C)C(=O)O 269956a_100015254316_100000233755 [0,2,0,0,0,0|2,0,0]=4 6208 B11R0.78 COCCN[C@H](COC)C(=O)O 269956a_100011998655_100000233755 [0,2,0,0,0,0|2,0,0]=4 6209 B11R0.78 COC[C@@H](NCCCF)C(=O)O 269956a_100011998655_100011934791 [0,2,0,0,0,0|2,0,0]=4 6210 B11R0.78 COC[C@@H](NCCCO)C(=O)O 269956a_100011998655_100011215043 [0,2,0,0,0,0|2,0,0]=4 6211 B11R0.78 COC[C@@H](NCCSC)C(=O)O 269956a_100011998655_100000212216 [0,2,0,0,0,0|2,0,0]=4 6212 B11R0.78 CSCCN[C@@H](CSC)C(=O)O 269956a_100011421858_100000212216 [0,2,0,0,0,0|2,0,0]=4 6213 B11R0.78 CSCCN[C@@H](C[Se]C)C(=O)O 269956a_100015254316_100000212216 [0,2,0,0,0,0|2,0,0]=4 6214 B11R0.78 CSC[C@H](NCCCF)C(=O)O 269956a_100011421858_100011934791 [0,2,0,0,0,0|2,0,0]=4 6215 B11R0.78 CSC[C@H](NCCCO)C(=O)O 269956a_100011421858_100011215043 [0,2,0,0,0,0|2,0,0]=4 6216 B11R0.78 C[Se]C[C@H](NCCCF)C(=O)O 269956a_100015254316_100011934791 [0,2,0,0,0,0|2,0,0]=4 6217 B11R0.78 C[Se]C[C@H](NCCCO)C(=O)O 269956a_100015254316_100011215043 [0,2,0,0,0,0|2,0,0]=4 6218 B11R0.153 CC(C)[C@@H](NCCCF)C(=O)O 269956a_100000745019_100011934791 [0,2,0,0,0,0|2,0,0]=4 6219 B11R0.153 CC(C)[C@@H](NCCCO)C(=O)O 269956a_100000745019_100011215043 [0,2,0,0,0,0|2,0,0]=4 6220 B11R0.153 CC(O)C(NCCCF)C(=O)O 269956a_100000185852_100011934791 [0,2,0,0,0,0|2,0,0]=4 6221 B11R0.153 CC(O)C(NCCCO)C(=O)O 269956a_100000185852_100011215043 [0,2,0,0,0,0|2,0,0]=4 6222 B11R0.153 CCCCCN(C(=O)C)C(C)C 11a_100000223497_100015343762 [0,2,0,0,0,0|2,0,0]=4 6223 B11R0.153 CCCCCN(C(=O)C)C(C)C 1626a_100000223497_100015343762 [0,2,0,0,0,0|2,0,0]=4 6224 B11R0.153 CCCCCN(C(=O)C)C(C)C 240690a_100000223497_100015343762 [0,2,0,0,0,0|2,0,0]=4 6225 B11R0.153 CCCCCN(C(=O)C)C(C)C 527a_100000223497_100103153847 [0,2,0,0,0,0|2,0,0]=4 6226 B11R0.153 CCCCNC(C(=O)N)C(C)C 7a_106832991798_100000230017 [0,2,0,0,0,0|2,0,0]=4 6227 B11R0.153 CCCCNC(C(=O)O)C(C)O 269956a_100000185852_100000210211 [0,2,0,0,0,0|1,0,0]=3 6228 B11R0.153 CCCCN[C@@H](C(=O)O)C(C)C 269956a_100000745019_100000210211 [0,2,0,0,0,0|1,0,0]=3 6229 B11R0.153 CCCCN[C@H](C(=O)N)[C@@H](C)O 2230a_100000003557_100000210211 [0,2,0,0,0,0|2,0,0]=4 6230 B11R0.153 CCCCOC(C(=O)N)C(C)C 34a_100000210227_100000230017 [0,2,0,0,0,0|2,0,0]=4 6231 B11R0.153 CCCCOC(C(=O)N)C(C)C 7a_100000210227_100000230017 [0,2,0,0,0,0|2,0,0]=4 6232 B11R0.153 CCCCSC(C(=O)C)C(=O)C 62a_100000210211_100000210371 [0,2,0,0,0,0|2,0,0]=4 6233 B11R0.153 CCCCSC(C(=O)C)C(=O)C 62a_100000210371_100000210210 [0,2,0,0,0,0|2,0,0]=4 6234 B11R0.153 CCCCSC(C(=O)N)C(C)C 62a_100000210211_100000230017 [0,2,0,0,0,0|2,0,0]=4 6235 B11R0.153 CCCCSC(C(=O)N)C(C)C 62a_100000230017_100000210210 [0,2,0,0,0,0|2,0,0]=4 6236 B11R0.153 CCOCNC(C(=O)O)C(C)O 269956a_100000185852_100000739092 [0,2,0,0,0,0|2,0,0]=4 6237 B11R0.153 CCOCN[C@@H](C(=O)O)C(C)C 269956a_100000745019_100000739092 [0,2,0,0,0,0|2,0,0]=4 6238 B11R0.153 COCCNC(C(=O)O)C(C)O 269956a_100000185852_100000233755 [0,2,0,0,0,0|2,0,0]=4 6239 B11R0.153 COCCN[C@@H](C(=O)O)C(C)C 269956a_100000745019_100000233755 [0,2,0,0,0,0|2,0,0]=4 6240 B11R0.153 CSCCNC(C(=O)O)C(C)O 269956a_100000185852_100000212216 [0,2,0,0,0,0|2,0,0]=4 6241 B11R0.153 CSCCN[C@@H](C(=O)O)C(C)C 269956a_100000745019_100000212216 [0,2,0,0,0,0|2,0,0]=4 6242 B11R0.273 C=C(C)CCNC(CO)C(=O)O 269956a_100000187304_100000730704 [0,2,0,0,0,0|1,0,1]=4 6243 B11R0.273 C=C(C)CCN[C@H](CC)C(=O)O 269956a_100000747097_100000730704 [0,2,0,0,0,0|1,0,1]=4 6244 B11R0.273 C=C[C@H](NCCC(C)C)C(=O)O 269956a_100016992060_100000210312 [0,2,0,0,0,0|1,0,1]=4 6245 B11R0.273 C=C[C@H](NCCC(C)O)C(=O)O 269956a_100016992060_100012276601 [0,2,0,0,0,0|1,0,1]=4 6246 B11R0.273 CC(=O)CCNC(CO)C(=O)O 269956a_100000187304_100000053229 [0,2,0,0,0,0|1,0,1]=4 6247 B11R0.273 CC(C)CCNC(CO)C(=O)O 269956a_100000187304_100000210312 [0,2,0,0,0,0|1,0,0]=3 6248 B11R0.273 CC(C)CCN[C@@H](CO)C(=O)N 2230a_100000729942_100000210312 [0,2,0,0,0,0|2,0,0]=4 6249 B11R0.273 CC(C)CCN[C@@H](CO)C(=O)N 34a_100000729942_100000210312 [0,2,0,0,0,0|2,0,0]=4 6250 B11R0.273 CC(C)OCNC(CO)C(=O)O 269956a_100000187304_100000709892 [0,2,0,0,0,0|2,0,0]=4 6251 B11R0.273 CC(O)CCNC(CO)C(=O)O 269956a_100000187304_100012276601 [0,2,0,0,0,0|1,0,0]=3 6252 B11R0.273 CC(O)CCN[C@@H](CO)C(=O)N 2230a_100000729942_100012276601 [0,2,0,0,0,0|2,0,0]=4 6253 B11R0.273 CC(O)CCN[C@@H](CO)C(=O)N 34a_100000729942_100012276601 [0,2,0,0,0,0|2,0,0]=4 6254 B11R0.273 CCC(NCCC(C)C)C(=O)N 2230a_100000733705_100000210312 [0,2,0,0,0,0|2,0,0]=4 6255 B11R0.273 CCC(NCCC(C)C)C(=O)N 34a_100000733705_100000210312 [0,2,0,0,0,0|2,0,0]=4 6256 B11R0.273 CCC(NCCC(C)O)C(=O)N 2230a_100000733705_100012276601 [0,2,0,0,0,0|2,0,0]=4 6257 B11R0.273 CCC(NCCC(C)O)C(=O)N 2230a_200000755665_100000750255 [0,2,0,0,0,0|2,0,0]=4 6258 B11R0.273 CCC(NCCC(C)O)C(=O)N 34a_100000733705_100012276601 [0,2,0,0,0,0|2,0,0]=4 6259 B11R0.273 CCC(OCCC(C)Br)C(=O)N 34a_100009893172_100000750255 [0,2,0,0,0,0|2,0,0]=4 6260 B11R0.273 CCC(OCCC(C)C)C(=O)N 34a_100000210254_100000750255 [0,2,0,0,0,0|2,0,0]=4 6261 B11R0.273 CCC(OCCC(C)C)C(=O)N 7a_100000210254_100000750255 [0,2,0,0,0,0|2,0,0]=4 6262 B11R0.273 CCC(OCC[C@@H](C)N)C(=O)N 34a_100000706166_100000750255 [0,2,0,0,0,0|2,0,0]=4 6263 B11R0.273 CCC(SCCC(C)C)C(=O)N 62a_100000210312_100000750255 [0,2,0,0,0,0|2,0,0]=4 6264 B11R0.273 CCC(SCCC(C)C)C(=O)N 62a_100000750255_100000210312 [0,2,0,0,0,0|2,0,0]=4 6265 B11R0.273 CCC(SCCC(C)O)C(=O)N 62a_100000750255_100012276601 [0,2,0,0,0,0|2,0,0]=4 6266 B11R0.273 CCC(SCCC(C)O)C(=O)N 62a_100012276601_100000750255 [0,2,0,0,0,0|2,0,0]=4 6267 B11R0.273 CC[C@@H](NCCC(=O)C)C(=O)O 269956a_100000747097_100000053229 [0,2,0,0,0,0|1,0,1]=4 6268 B11R0.273 CC[C@@H](NCCC(C)C)C(=O)O 269956a_100000747097_100000210312 [0,2,0,0,0,0|1,0,0]=3 6269 B11R0.273 CC[C@@H](NCCC(C)O)C(=O)O 269956a_100000747097_100012276601 [0,2,0,0,0,0|1,0,0]=3 6270 B11R0.273 CC[C@@H](NCCN(C)C)C(=O)O 269956a_100000747097_100000755713 [0,2,0,0,0,0|2,0,0]=4 6271 B11R0.273 CC[C@@H](NCOC(C)C)C(=O)O 269956a_100000747097_100000709892 [0,2,0,0,0,0|2,0,0]=4 6272 B11R0.273 CN(C)CCNC(CO)C(=O)O 269956a_100000187304_100000755713 [0,2,0,0,0,0|2,0,0]=4 6273 B11R0.318 CC(=O)C(C)COCC(C)(C)C 34a_100000032740_100011219605 [0,2,0,0,0,0|2,0,0]=4 6274 B11R0.318 CC(=O)C(C)COCC(C)(C)F 34a_100000032740_100011997219 [0,2,0,0,0,0|2,0,0]=4 6275 B11R0.318 CC(=O)C(C)COCC(C)(C)O 34a_100000032740_100000764493 [0,2,0,0,0,0|2,0,0]=4 6276 B11R0.318 CC(=O)C(C)COCC(C)(C)O 7a_100000032740_100000764493 [0,2,0,0,0,0|2,0,0]=4 6277 B11R0.318 CC(=O)C(C)NCCC(C)(C)C 2230a_100000738805_100009814033 [0,2,0,0,0,0|2,0,0]=4 6278 B11R0.318 CC(=O)C(C)NCCC(C)(C)F 2230a_100016253952_100009814033 [0,2,0,0,0,0|2,0,0]=4 6279 B11R0.318 CC(=O)C(C)OCCC(C)(C)C 34a_100000212229_100000755188 [0,2,0,0,0,0|2,0,0]=4 6280 B11R0.318 CC(=O)C(C)OCCC(C)(C)C 7a_100000765024_100000179758 [0,2,0,0,0,0|2,0,0]=4 6281 B11R0.318 CC(=O)C(C)OCCC(C)(C)O 34a_100000212229_100000702414 [0,2,0,0,0,0|2,0,0]=4 6282 B11R0.318 CC(=O)C(C)SCCC(C)(C)C 62a_100000755188_100009814033 [0,2,0,0,0,0|2,0,0]=4 6283 B11R0.318 CC(=O)C(C)SCCC(C)(C)C 62a_100009814033_100000755188 [0,2,0,0,0,0|2,0,0]=4 6284 B11R0.318 CC(=O)C(C)SCCC(C)(C)O 62a_100000702414_100009814033 [0,2,0,0,0,0|2,0,0]=4 6285 B11R0.318 CC(=O)C(C)SCCC(C)(C)O 62a_100009814033_100000702414 [0,2,0,0,0,0|2,0,0]=4 6286 B11R0.318 CC(C)(C)CNCC(F)C(=O)O 269956a_100000084737_100011219605 [0,2,0,0,0,0|2,0,0]=4 6287 B11R0.318 CC(C)(F)CNCC(F)C(=O)O 269956a_100000084737_100011997219 [0,2,0,0,0,0|2,0,0]=4 6288 B11R0.318 CC(C)(O)CNCC(F)C(=O)O 269956a_100000084737_100000764493 [0,2,0,0,0,0|2,0,0]=4 6289 B11R0.318 CC(CNCC(C)(C)C)C(=O)O 269956a_100000749485_100011219605 [0,2,0,0,0,0|1,0,0]=3 6290 B11R0.318 CC(CNCC(C)(C)F)C(=O)O 269956a_100000749485_100011997219 [0,2,0,0,0,0|1,0,0]=3 6291 B11R0.318 CC(CNCC(C)(C)O)C(=O)O 269956a_100000749485_100000764493 [0,2,0,0,0,0|1,0,0]=3 6292 B11R0.318 CC(CNCC(F)(F)F)C(=O)O 269956a_100000749485_100000763148 [0,2,0,0,0,0|2,0,0]=4 6293 B11R0.318 CC(CNC[N+](C)(C)C)C(=O)O 269956a_100000749485_200000036245 [0,2,0,0,0,0|2,0,0]=4 6294 B11R0.318 CC(CNC[Si](C)(C)C)C(=O)O 269956a_100000749485_100000037933 [0,2,0,0,0,0|1,1,0]=4 6295 B11R0.318 CC(NCCC(C)(C)C)C(=O)N 2230a_100000738805_100000702099 [0,2,0,0,0,0|2,0,0]=4 6296 B11R0.318 CC(NCCC(C)(C)F)C(=O)N 2230a_100016253952_100000702099 [0,2,0,0,0,0|2,0,0]=4 6297 B11R0.318 CC(OCCC(C)(C)C)C(=O)N 7a_100000765024_100000702099 [0,2,0,0,0,0|2,0,0]=4 6298 B11R0.318 CC(SCCC(C)(C)C)C(=O)N 62a_100000702099_100000755188 [0,2,0,0,0,0|2,0,0]=4 6299 B11R0.318 CC(SCCC(C)(C)C)C(=O)N 62a_100000755188_100000702099 [0,2,0,0,0,0|2,0,0]=4 6300 B11R0.318 CC(SCCC(C)(C)O)C(=O)N 62a_100000702099_100000702414 [0,2,0,0,0,0|2,0,0]=4 6301 B11R0.318 CC(SCCC(C)(C)O)C(=O)N 62a_100000702414_100000702099 [0,2,0,0,0,0|2,0,0]=4 6302 B11R0.318 C[C@@H](NCCC(C)(C)C)C(=O)N 2230a_100000119354_100000755188 [0,2,0,0,0,0|2,0,0]=4 6303 B11R0.318 C[C@@H](NCCC(C)(C)C)C(=O)N 34a_100000119354_100000755188 [0,2,0,0,0,0|2,0,0]=4 6304 B11R0.318 C[C@@H](NCCC(C)(C)O)C(=O)N 2230a_100000119354_100000702414 [0,2,0,0,0,0|2,0,0]=4 6305 B11R0.318 C[C@@H](NCCC(C)(C)O)C(=O)N 34a_100000119354_100000702414 [0,2,0,0,0,0|2,0,0]=4 6306 B11R0.318 C[C@@H](OCCC(C)(C)C)C(=O)N 34a_100000731257_100000755188 [0,2,0,0,0,0|2,0,0]=4 6307 B11R0.318 C[C@@H](OCCC(C)(C)C)C(=O)N 7a_100000731257_100000755188 [0,2,0,0,0,0|2,0,0]=4 6308 B11R0.318 C[C@@H](OCCC(C)(C)O)C(=O)N 34a_100000731257_100000702414 [0,2,0,0,0,0|2,0,0]=4 6309 B11R0.318 C[C@@H](OCCC(C)(C)O)C(=O)N 7a_100000731257_100000702414 [0,2,0,0,0,0|2,0,0]=4 6310 B11R0.318 C[C@H](NCCC(C)(C)C)C(=O)O 269956a_100000743915_100000755188 [0,2,0,0,0,0|1,0,0]=3 6311 B11R0.318 C[C@H](NCCC(C)(C)O)C(=O)O 269956a_100000743915_100000702414 [0,2,0,0,0,0|1,0,0]=3 6312 B11R0.318 C[C@H](NCCC(F)(F)F)C(=O)O 269956a_100000743915_100011219754 [0,2,0,0,0,0|2,0,0]=4 6313 B11R0.318 C[C@H](NCCS(=O)(=O)C)C(=O)O 269956a_100000743915_100000731031 [0,2,0,0,0,0|2,0,0]=4 6314 B11R0.318 C[C@H](NCC[N+](C)(C)C)C(=O)O 269956a_100000743915_100000085578 [0,2,0,0,0,0|2,0,0]=4 6315 B11R0.318 C[C@H](NCC[Si](C)(C)C)C(=O)O 269956a_100000743915_200000733723 [0,2,0,0,0,0|1,1,0]=4 6316 B11R0.318 C[C@H](OCCC(C)(C)C)C(=O)[O-] 7a_217856618621_100000755188 [0,2,0,0,0,0|1,0,1]=4 6317 B11R0.318 C[C@H](OCCC(C)(C)O)C(=O)[O-] 7a_217856618621_100000702414 [0,2,0,0,0,0|1,0,1]=4 6318 B9R1.2 CC1CCCC(C1)N[13CH3] 2230a_100011194320_200025704644 [1,0,0,1,0,0|2,0,0]=4 6319 B9R1.2 CC1CCCC(C1)N[13CH3] 34a_100011194320_200025704644 [1,0,0,1,0,0|2,0,0]=4 6320 B9R1.2 CC1CCCC(C1)O[13CH3] 34a_100000211399_200025704644 [1,0,0,1,0,0|2,0,0]=4 6321 B9R1.2 CN1CCCC(C1)CO 2230a_100000211344_200000210301 [1,0,0,1,0,0|1,0,1]=4 6322 B9R1.2 CN1CCCC(C1)CO 269982a_100000211344_200000210301 [1,0,0,1,0,0|1,0,1]=4 6323 B9R1.2 CN1CCCC(C1)CO 34a_100000211344_200000210301 [1,0,0,1,0,0|1,0,1]=4 6324 B9R1.2 CNC1CCCC(C1)C 2230a_100011194320_200000210301 [1,0,0,1,0,0|2,0,0]=4 6325 B9R1.2 CNC1CCCC(C1)C 270004a_106832991635_100000183594 [1,0,0,1,0,0|2,0,0]=4 6326 B9R1.2 CNC1CCCC(C1)C 34a_100011194320_200000210301 [1,0,0,1,0,0|2,0,0]=4 6327 B9R1.2 COC1CCCC(C1)C 34a_100000211399_200000210301 [1,0,0,1,0,0|2,0,0]=4 6328 B9R1.2 [13CH3]N1CCCC(C1)CO 2230a_100000211344_200025704644 [1,0,0,1,0,0|1,0,1]=4 6329 B9R1.2 [13CH3]N1CCCC(C1)CO 269982a_100000211344_200025704644 [1,0,0,1,0,0|1,0,1]=4 6330 B9R1.2 [13CH3]N1CCCC(C1)CO 34a_100000211344_200025704644 [1,0,0,1,0,0|1,0,1]=4 6331 B9R1.3 CC1CCCC(N1C)C 2230a_100000210447_200000210301 [1,0,0,1,0,0|2,0,0]=4 6332 B9R1.3 CC1CCCC(N1C)C 269982a_100000210447_200000210301 [1,0,0,1,0,0|2,0,0]=4 6333 B9R1.3 CC1CCCC(N1C)C 34a_100000210447_200000210301 [1,0,0,1,0,0|2,0,0]=4 6334 B9R1.3 CC1CCCC(N1[13CH3])C 2230a_100000210447_200025704644 [1,0,0,1,0,0|2,0,0]=4 6335 B9R1.3 CC1CCCC(N1[13CH3])C 269982a_100000210447_200025704644 [1,0,0,1,0,0|2,0,0]=4 6336 B9R1.3 CC1CCCC(N1[13CH3])C 34a_100000210447_200025704644 [1,0,0,1,0,0|2,0,0]=4 6337 B9R1.11 C=CC(C)N1CCCC1 269982a_100000188435_100011215867 [1,0,0,1,0,0|2,0,0]=4 6338 B9R1.11 CC(CO)N1CCCC1 2230a_100000188435_100012180447 [1,0,0,1,0,0|1,0,1]=4 6339 B9R1.11 CC(N[13CH3])C1CCCC1 2230a_100015185923_200025704644 [1,0,0,1,0,0|2,0,0]=4 6340 B9R1.11 CC(N[13CH3])C1CCCC1 34a_100015185923_200025704644 [1,0,0,1,0,0|2,0,0]=4 6341 B9R1.11 CC(O[13CH3])C1CCCC1 34a_100011216366_200025704644 [1,0,0,1,0,0|2,0,0]=4 6342 B9R1.11 CC(O[13CH3])C1CCCC1 7a_100011216366_200025704644 [1,0,0,1,0,0|2,0,0]=4 6343 B9R1.11 CNC(C)C1CCCC1 2230a_100015185923_200000210301 [1,0,0,1,0,0|2,0,0]=4 6344 B9R1.11 CNC(C)C1CCCC1 269862a_106832991636_100000749594 [1,0,0,1,0,0|2,0,0]=4 6345 B9R1.11 CNC(C)C1CCCC1 270004a_106832991635_100000749594 [1,0,0,1,0,0|2,0,0]=4 6346 B9R1.11 CNC(C)C1CCCC1 34a_100015185923_200000210301 [1,0,0,1,0,0|2,0,0]=4 6347 B9R1.11 COC(C)C1CCCC1 34a_100011216366_200000210301 [1,0,0,1,0,0|2,0,0]=4 6348 B9R1.11 COC(C)C1CCCC1 7a_100011216366_200000210301 [1,0,0,1,0,0|2,0,0]=4 6349 B9R1.11 C[C@H](CO)N1CCCC1 269982a_100000188435_100016084084 [1,0,0,1,0,0|1,0,1]=4 6350 B9R1.17 CCCCNC1COC1 2230a_100016991112_100000210211 [1,0,0,1,0,0|1,0,1]=4 6351 B9R1.17 CCCCNC1COC1 7a_106832991798_100009818527 [1,0,0,1,0,0|1,0,1]=4 6352 B9R1.17 CCCCOC1COC1 34a_100000210227_100009818527 [1,0,0,1,0,0|1,0,1]=4 6353 B9R1.17 CCCCOC1COC1 7a_100000210227_100009818527 [1,0,0,1,0,0|1,0,1]=4 6354 B9R1.17 CCCCSC1COC1 62a_100000210211_100009818527 [1,0,0,1,0,0|1,0,1]=4 6355 B9R1.17 CCCNCC1COC1 2230a_100015281925_100000210303 [1,0,0,1,0,0|1,0,1]=4 6356 B9R1.17 CCCNCC1COC1 34a_100015281925_100000210303 [1,0,0,1,0,0|1,0,1]=4 6357 B9R1.17 CCCOCC1COC1 34a_100000060846_100000210303 [1,0,0,1,0,0|1,0,1]=4 6358 B9R1.17 CCCOCC1COC1 34a_100000210258_100010264016 [1,0,0,1,0,0|1,0,1]=4 6359 B9R1.17 CCCSCC1COC1 62a_100000210303_100010264016 [1,0,0,1,0,0|1,0,1]=4 6360 B9R1.17 CCCSCC1COC1 62a_100010264016_100000210303 [1,0,0,1,0,0|1,0,1]=4 6361 B9R1.17 CCOCCC1COC1 34a_100009855314_100000210202 [1,0,0,1,0,0|1,0,1]=4 6362 B9R1.21 CCC1CCC(C1)NC 270004a_106832991635_100011218773 [1,0,0,1,0,0|2,0,0]=4 6363 B9R1.21 CCN1CCC(C1)CO 2230a_100000748654_100000210202 [1,0,0,1,0,0|1,0,1]=4 6364 B9R1.21 CCN1CCC(C1)CO 269982a_100000748654_100000204670 [1,0,0,1,0,0|1,0,1]=4 6365 B9R1.21 CCN1CCC(C1)CO 34a_100000748654_100000210202 [1,0,0,1,0,0|1,0,1]=4 6366 B9R1.58 CCCN1CC(C1)CO 269982a_100016987283_100000210303 [1,0,0,1,0,0|1,0,1]=4 6367 B9R1.58 CCCN1CC(C1)CO 34a_100016987283_100000210303 [1,0,0,1,0,0|1,0,1]=4 6368 B9R1.58 CCNC1CC(C1)CO 270004a_100015525214_100000101936 [1,0,0,1,0,0|1,0,1]=4 6369 B9R1.58 CCSC1CC(C1)CO 62a_100000210202_100009874164 [1,0,0,1,0,0|1,0,1]=4 6370 B9R1.58 CCSC1CC(C1)CO 62a_100009874164_100000210202 [1,0,0,1,0,0|1,0,1]=4 6371 B9R1.79 C=CC(C)OC1CCC1 34a_100000695699_100000749161 [1,0,0,1,0,0|2,0,0]=4 6372 B9R1.79 C=CC(C)SC1CCC1 62a_100011215867_100000749161 [1,0,0,1,0,0|2,0,0]=4 6373 B9R1.79 CC(CO)NC1CCC1 2230a_100000749019_100012180447 [1,0,0,1,0,0|1,0,1]=4 6374 B9R1.79 CC(CO)NC1CCC1 34a_100000749019_100012180447 [1,0,0,1,0,0|1,0,1]=4 6375 B9R1.79 CC(CO)OC1CCC1 34a_100000748187_100012180447 [1,0,0,1,0,0|1,0,1]=4 6376 B9R1.79 CC(CO)SC1CCC1 62a_100012180447_100000749161 [1,0,0,1,0,0|1,0,1]=4 6377 B9R1.79 C[C@@H](CO)CN1CCC1 269982a_100000754969_100000059175 [1,0,0,1,0,0|1,0,1]=4 6378 B9R1.79 C[C@H](CO)NC1CCC1 270004a_100000737577_100000241760 [1,0,0,1,0,0|1,0,1]=4 6379 B9R1.79 C[C@H](CO)SC1CCC1 62a_100016084084_100000749161 [1,0,0,1,0,0|1,0,1]=4 6380 B9R1.80 C=CC(C)COC1CC1 34a_100011215527_100000211595 [1,0,0,1,0,0|2,0,0]=4 6381 B9R1.80 C=CC(C)OCC1CC1 34a_100000695699_100000742324 [1,0,0,1,0,0|2,0,0]=4 6382 B9R1.80 C=CC(C)SCC1CC1 62a_100011215867_100000742324 [1,0,0,1,0,0|2,0,0]=4 6383 B9R1.80 CC(CO)CNC1CC1 34a_100000744482_100000211595 [1,0,0,1,0,0|1,0,1]=4 6384 B9R1.80 CC(CO)NCC1CC1 2230a_100000735609_100012180447 [1,0,0,1,0,0|1,0,1]=4 6385 B9R1.80 CC(CO)NCC1CC1 34a_100000735609_100012180447 [1,0,0,1,0,0|1,0,1]=4 6386 B9R1.80 CC(CO)OCC1CC1 34a_100000211283_100012180447 [1,0,0,1,0,0|1,0,1]=4 6387 B9R1.80 CC(CO)SCC1CC1 62a_100012180447_100000742324 [1,0,0,1,0,0|1,0,1]=4 6388 B9R1.80 C[C@@H](CO)CNC1CC1 34a_100000212008_100000059175 [1,0,0,1,0,0|1,0,1]=4 6389 B9R1.80 C[C@@H](CO)CSC1CC1 62a_100000059175_100000211595 [1,0,0,1,0,0|1,0,1]=4 6390 B9R1.80 C[C@H](CO)NCC1CC1 2230a_100000737577_100000742324 [1,0,0,1,0,0|1,0,1]=4 6391 B9R1.80 C[C@H](CO)NCC1CC1 269862a_100000737577_100000741477 [1,0,0,1,0,0|1,0,1]=4 6392 B9R1.80 C[C@H](CO)SCC1CC1 62a_100000756562_100016084084 [1,0,0,1,0,0|1,0,1]=4 6393 B9R1.80 C[C@H](CO)SCC1CC1 62a_100016084084_100000742324 [1,0,0,1,0,0|1,0,1]=4 6394 B9R1.81 C=CC(C)N1CCC1C 269982a_100000755817_100011215867 [1,0,0,1,0,0|2,0,0]=4 6395 B9R1.81 CC(CO)N1CCC1C 34a_100000755817_100012180447 [1,0,0,1,0,0|1,0,1]=4 6396 B9R1.81 CC1CCN1[C@H](C)CO 269982a_100000755817_100016084084 [1,0,0,1,0,0|1,0,1]=4 6397 B9R1.89 CNC1CCCCCC1 2230a_100000210984_200000210301 [1,0,0,1,0,0|2,0,0]=4 6398 B9R1.89 CNC1CCCCCC1 270004a_106832991635_100000210131 [1,0,0,1,0,0|2,0,0]=4 6399 B9R1.89 CNC1CCCCCC1 34a_100000210984_200000210301 [1,0,0,1,0,0|2,0,0]=4 6400 B9R1.89 CNC1CCCCCC1 34a_100102657272_100011217769 [1,0,0,1,0,0|2,0,0]=4 6401 B9R1.89 COC1CCCCCC1 34a_100000210887_200000210301 [1,0,0,1,0,0|2,0,0]=4 6402 B9R1.89 COC1CCCCCC1 34a_100138415774_100011217769 [1,0,0,1,0,0|2,0,0]=4 6403 B9R1.89 COC1CCCCCC1 7a_100000210887_200000210301 [1,0,0,1,0,0|2,0,0]=4 6404 B9R1.89 CSC1CCCCCC1 62a_100011217769_200000210301 [1,0,0,1,0,0|2,0,0]=4 6405 B9R1.89 CSC1CCCCCC1 62a_200000210301_100011217769 [1,0,0,1,0,0|2,0,0]=4 6406 B9R1.89 [13CH3]NC1CCCCCC1 2230a_100000210984_200025704644 [1,0,0,1,0,0|2,0,0]=4 6407 B9R1.89 [13CH3]NC1CCCCCC1 34a_100000210984_200025704644 [1,0,0,1,0,0|2,0,0]=4 6408 B9R1.89 [13CH3]OC1CCCCCC1 34a_100000210887_200025704644 [1,0,0,1,0,0|2,0,0]=4 6409 B9R1.89 [13CH3]OC1CCCCCC1 7a_100000210887_200025704644 [1,0,0,1,0,0|2,0,0]=4 6410 B9R1.89 [13CH3]SC1CCCCCC1 62a_100011217769_200025704644 [1,0,0,1,0,0|2,0,0]=4 6411 B9R1.89 [13CH3]SC1CCCCCC1 62a_200025704644_100011217769 [1,0,0,1,0,0|2,0,0]=4 6412 B9R1.99 CCCOCC1(CO1)C 34a_100000210258_100000760498 [1,0,0,1,0,0|1,0,1]=4 6413 B9R1.99 CCCSCC1(CO1)C 62a_100000210303_100000760498 [1,0,0,1,0,0|1,0,1]=4 6414 B9R1.99 CCCSCC1(CO1)C 62a_100000760498_100000210303 [1,0,0,1,0,0|1,0,1]=4 6415 B9R1.118 CC1(CCCCC1)N[13CH3] 2230a_100000741114_200025704644 [1,0,0,1,0,0|2,0,0]=4 6416 B9R1.118 CC1(CCCCC1)N[13CH3] 34a_100000741114_200025704644 [1,0,0,1,0,0|2,0,0]=4 6417 B9R1.118 CC1(CCCCC1)O[13CH3] 34a_100011215885_200025704644 [1,0,0,1,0,0|2,0,0]=4 6418 B9R1.118 CC1(CCCCC1)O[13CH3] 7a_100011215885_200025704644 [1,0,0,1,0,0|2,0,0]=4 6419 B9R1.118 CNC1(CCCCC1)C 2230a_100000741114_200000210301 [1,0,0,1,0,0|2,0,0]=4 6420 B9R1.118 CNC1(CCCCC1)C 34a_100000741114_200000210301 [1,0,0,1,0,0|2,0,0]=4 6421 B9R1.118 COC1(CCCCC1)C 34a_100011215885_200000210301 [1,0,0,1,0,0|2,0,0]=4 6422 B9R1.118 COC1(CCCCC1)C 7a_100011215885_200000210301 [1,0,0,1,0,0|2,0,0]=4 6423 B9R1.132 CN1CCC(C1=O)S[13CH3] 62a_100000755940_200025704644 [1,0,0,1,0,0|2,0,0]=4 6424 B9R1.132 CN1CCC(C1=O)S[13CH3] 62a_200025704644_100000755940 [1,0,0,1,0,0|2,0,0]=4 6425 B9R1.132 CNC1CCN(C1=O)C 2230a_106832991635_100000755940 [1,0,0,1,0,0|2,0,0]=4 6426 B9R1.132 CNC1CCN(C1=O)C 34a_100102657272_100000755940 [1,0,0,1,0,0|2,0,0]=4 6427 B9R1.132 CNC1CCN(C1=O)C 7a_106832991635_100000755940 [1,0,0,1,0,0|2,0,0]=4 6428 B9R1.132 COC1CCN(C1=O)C 34a_100138415774_100000755940 [1,0,0,1,0,0|2,0,0]=4 6429 B9R1.132 CSC1CCN(C1=O)C 62a_100000755940_200000210301 [1,0,0,1,0,0|2,0,0]=4 6430 B9R1.132 CSC1CCN(C1=O)C 62a_200000210301_100000755940 [1,0,0,1,0,0|2,0,0]=4 6431 B9R1.202 CN1CCC[C@@]1(C)CO 2230a_100016195882_200000210301 [1,0,0,1,0,0|1,0,1]=4 6432 B9R1.202 CN1CCC[C@@]1(C)CO 269982a_100016195882_200000210301 [1,0,0,1,0,0|1,0,1]=4 6433 B9R1.202 CN1CCC[C@@]1(C)CO 34a_100016195882_200000210301 [1,0,0,1,0,0|1,0,1]=4 6434 B9R1.202 C[C@]1(CCCN1[13CH3])CO 2230a_100016195882_200025704644 [1,0,0,1,0,0|1,0,1]=4 6435 B9R1.202 C[C@]1(CCCN1[13CH3])CO 269982a_100016195882_200025704644 [1,0,0,1,0,0|1,0,1]=4 6436 B9R1.202 C[C@]1(CCCN1[13CH3])CO 34a_100016195882_200025704644 [1,0,0,1,0,0|1,0,1]=4 6437 B9R1.6 CC(=O)C1CCCCC1 1458a_100000070787_100000210327 [1,0,0,1,0,0|1,0,0]=3 6438 B9R1.6 CC(=O)C1CCCCC1 1458a_100000210647_200000210301 [1,0,0,1,0,0|1,0,0]=3 6439 B9R1.6 CC(=O)C1CCCCO1 1458a_100000748299_200000210301 [1,0,0,1,0,0|2,0,0]=4 6440 B9R1.6 CC(=O)C1CCCOC1 1458a_100000070787_100000693364 [1,0,0,1,0,0|2,0,0]=4 6441 B9R1.6 CC(=O)C1CCCOC1 1458a_100000741522_200000210301 [1,0,0,1,0,0|2,0,0]=4 6442 B9R1.6 CC(=O)C1CCOCC1 1458a_100000070787_100011324220 [1,0,0,1,0,0|2,0,0]=4 6443 B9R1.6 CC(=O)C1CCOCC1 1458a_100000195482_200000210301 [1,0,0,1,0,0|2,0,0]=4 6444 B9R1.6 CC(=O)C1CCSCC1 1458a_100000755232_200000210301 [1,0,0,1,0,0|2,0,0]=4 6445 B9R1.6 [13CH3]C(=O)C1CCCCC1 1458a_100000210647_200025704644 [1,0,0,1,0,0|1,0,0]=3 6446 B9R1.6 [13CH3]C(=O)C1CCCCO1 1458a_100000748299_200025704644 [1,0,0,1,0,0|2,0,0]=4 6447 B9R1.6 [13CH3]C(=O)C1CCCOC1 1458a_100000741522_200025704644 [1,0,0,1,0,0|2,0,0]=4 6448 B9R1.6 [13CH3]C(=O)C1CCOCC1 1458a_100000195482_200025704644 [1,0,0,1,0,0|2,0,0]=4 6449 B9R1.6 [13CH3]C(=O)C1CCSCC1 1458a_100000755232_200025704644 [1,0,0,1,0,0|2,0,0]=4 6450 B9R1.9 CCCSC1CC(=O)C1 62a_100009894365_100000210303 [1,0,0,1,0,0|2,0,0]=4 6451 B9R1.9 CCNCC1CC(=O)C1 2230a_100015525214_100009874392 [1,0,0,1,0,0|2,0,0]=4 6452 B9R1.9 CCOCC1CC(=O)C1 34a_100000101936_100000210202 [1,0,0,1,0,0|2,0,0]=4 6453 B9R1.9 CCSCC1CC(=O)C1 62a_100000210202_100009874392 [1,0,0,1,0,0|2,0,0]=4 6454 B9R1.9 CCSCC1CC(=O)C1 62a_100009874392_100000210202 [1,0,0,1,0,0|2,0,0]=4 6455 B9R1.13 CC(=O)CC1CCCC1 1458a_100000070787_100000740388 [1,0,0,1,0,0|1,0,0]=3 6456 B9R1.13 CC(=O)CC1CCCC1 1458a_100000210891_200000210301 [1,0,0,1,0,0|1,0,0]=3 6457 B9R1.13 CC(=O)CC1CCCO1 1458a_100000070787_100000203698 [1,0,0,1,0,0|2,0,0]=4 6458 B9R1.13 CC(=O)CC1CCOC1 1458a_100000070787_100000702531 [1,0,0,1,0,0|2,0,0]=4 6459 B9R1.13 CC(=O)CC1CCOC1 1458a_100011218419_200000210301 [1,0,0,1,0,0|2,0,0]=4 6460 B9R1.13 CC(=O)CN1CCCC1 1458a_100000740243_200000210301 [1,0,0,1,0,0|2,0,0]=4 6461 B9R1.13 CC(=O)NC1CCCC1 11a_100000211070_100015343762 [1,0,0,1,0,0|2,0,0]=4 6462 B9R1.13 CC(=O)NC1CCCC1 1626a_100000211070_100015343762 [1,0,0,1,0,0|2,0,0]=4 6463 B9R1.13 CC(=O)NC1CCCC1 240690a_100000211070_100015343762 [1,0,0,1,0,0|2,0,0]=4 6464 B9R1.13 CC(=O)NC1CCCC1 527a_100000211070_100103153847 [1,0,0,1,0,0|2,0,0]=4 6465 B9R1.13 NC(=O)CN1CCCC1 2230a_100000188435_100000747473 [1,0,0,1,0,0|2,0,0]=4 6466 B9R1.13 NC(=O)CN1CCCC1 269982a_100000188435_100000187820 [1,0,0,1,0,0|2,0,0]=4 6467 B9R1.13 O=C([O-])CN1CCCC1 269982a_100000188435_100020667443 [1,0,0,1,0,0|1,0,1]=4 6468 B9R1.13 [13CH3]C(=O)CC1CCCC1 1458a_100000210891_200025704644 [1,0,0,1,0,0|1,0,0]=3 6469 B9R1.13 [13CH3]C(=O)CC1CCOC1 1458a_100011218419_200025704644 [1,0,0,1,0,0|2,0,0]=4 6470 B9R1.13 [13CH3]C(=O)CN1CCCC1 1458a_100000740243_200025704644 [1,0,0,1,0,0|2,0,0]=4 6471 B9R1.41 CC(=O)C1CCCC1C 1458a_100000690547_200000210301 [1,0,0,1,0,0|1,0,0]=3 6472 B9R1.41 CC(=O)N1CCC[C@@H]1C 240690a_100020605311_100015343762 [1,0,0,1,0,0|2,0,0]=4 6473 B9R1.41 CC(=O)N1CCC[C@@H]1C 527a_100020605311_100103153847 [1,0,0,1,0,0|2,0,0]=4 6474 B9R1.41 CC(=O)N1CCC[C@H]1C 11a_100015189458_100015343762 [1,0,0,1,0,0|2,0,0]=4 6475 B9R1.41 CC(=O)N1CCC[C@H]1C 240690a_100015189458_100015343762 [1,0,0,1,0,0|2,0,0]=4 6476 B9R1.41 CC(=O)N1CCC[C@H]1C 527a_100015189458_100103153847 [1,0,0,1,0,0|2,0,0]=4 6477 B9R1.41 CC(=O)[C@@H]1CCCN1C 1458a_100009816429_200000210301 [1,0,0,1,0,0|2,0,0]=4 6478 B9R1.41 CC1CCCC1C(=O)[13CH3] 1458a_100000690547_200025704644 [1,0,0,1,0,0|1,0,0]=3 6479 B9R1.41 CN1CCC[C@H]1C(=O)N 2230a_100000003125_200000210301 [1,0,0,1,0,0|2,0,0]=4 6480 B9R1.41 CN1CCC[C@H]1C(=O)O 269956a_100000743916_200000210301 [1,0,0,1,0,0|1,0,0]=3 6481 B9R1.41 CN1CCC[C@H]1C(=O)[13CH3] 1458a_100009816429_200025704644 [1,0,0,1,0,0|2,0,0]=4 6482 B9R1.41 CN1CCSC1C(=O)O 269956a_100000035718_200000210301 [1,0,0,1,0,0|2,0,0]=4 6483 B9R1.41 CN1CSC[C@H]1C(=O)O 269956a_100000743924_200000210301 [1,0,0,1,0,0|2,0,0]=4 6484 B9R1.41 [13CH3]N1CCC[C@H]1C(=O)N 2230a_100000003125_200025704644 [1,0,0,1,0,0|2,0,0]=4 6485 B9R1.41 [13CH3]N1CCC[C@H]1C(=O)O 269956a_100000743916_200025704644 [1,0,0,1,0,0|1,0,0]=3 6486 B9R1.41 [13CH3]N1CCSC1C(=O)O 269956a_100000035718_200025704644 [1,0,0,1,0,0|2,0,0]=4 6487 B9R1.41 [13CH3]N1CSC[C@H]1C(=O)O 269956a_100000743924_200025704644 [1,0,0,1,0,0|2,0,0]=4 6488 B9R1.67 CC1CCN1CC(=O)N 269982a_100000755817_100000187820 [1,0,0,1,0,0|2,0,0]=4 6489 B9R1.67 CC1CCN1CC(=O)N 34a_100000755817_100000187820 [1,0,0,1,0,0|2,0,0]=4 6490 B9R1.67 CC1CCN1CC(=O)[O-] 269982a_100000755817_100020667443 [1,0,0,1,0,0|1,0,1]=4 6491 B9R1.67 CC1CCN1CC(=O)[O-] 34a_100000755817_100020667443 [1,0,0,1,0,0|1,0,1]=4 6492 B9R1.84 CC(=O)CCN1CCC1 269982a_100000754969_100000053229 [1,0,0,1,0,0|2,0,0]=4 6493 B9R1.84 CC(=O)COC1CCC1 34a_100000211253_100000749161 [1,0,0,1,0,0|2,0,0]=4 6494 B9R1.84 CC(=O)NCC1CCC1 11a_100000738700_100015343762 [1,0,0,1,0,0|2,0,0]=4 6495 B9R1.84 CC(=O)NCC1CCC1 1626a_100000738700_100015343762 [1,0,0,1,0,0|2,0,0]=4 6496 B9R1.84 CC(=O)NCC1CCC1 240690a_100000738700_100015343762 [1,0,0,1,0,0|2,0,0]=4 6497 B9R1.84 CC(=O)NCC1CCC1 527a_100000738700_100103153847 [1,0,0,1,0,0|2,0,0]=4 6498 B9R1.84 NC(=O)CCN1CCC1 269982a_100000754969_100000744528 [1,0,0,1,0,0|2,0,0]=4 6499 B9R1.84 NC(=O)CNC1CCC1 2230a_100000749019_100000747473 [1,0,0,1,0,0|2,0,0]=4 6500 B9R1.84 NC(=O)CNC1CCC1 34a_100000749019_100000187820 [1,0,0,1,0,0|2,0,0]=4 6501 B9R1.84 NC(=O)COC1CCC1 34a_100000748187_100000187820 [1,0,0,1,0,0|2,0,0]=4 6502 B9R1.84 NC(=O)CSC1CCC1 62a_100000747473_100000749161 [1,0,0,1,0,0|2,0,0]=4 6503 B9R1.84 O=C(O)CNC1CCC1 269956a_100016091260_100000749161 [1,0,0,1,0,0|1,0,0]=3 6504 B9R1.84 O=C(O)CNC1COC1 269956a_100016091260_100009818527 [1,0,0,1,0,0|2,0,0]=4 6505 B9R1.84 O=C([O-])CNC1CCC1 34a_100000749019_100020667443 [1,0,0,1,0,0|1,0,1]=4 6506 B9R1.84 O=C([O-])COC1CCC1 34a_100000748187_100020667443 [1,0,0,1,0,0|1,0,1]=4 6507 B9R1.84 O=C([O-])CSC1CCC1 62a_100020667443_100000749161 [1,0,0,1,0,0|1,0,1]=4 6508 B9R1.85 CC(=O)CCCC1CO1 1458a_100000070787_100000733510 [1,0,0,1,0,0|2,0,0]=4 6509 B9R1.85 CC(=O)CCOC1CC1 34a_100000759926_100000211595 [1,0,0,1,0,0|2,0,0]=4 6510 B9R1.85 CC(=O)CCSC1CC1 62a_100000053229_100000211595 [1,0,0,1,0,0|2,0,0]=4 6511 B9R1.85 CC(=O)COCC1CC1 34a_100000211253_100000742324 [1,0,0,1,0,0|2,0,0]=4 6512 B9R1.85 CC(=O)CSCC1CC1 1458a_200011316215_200000210301 [1,0,0,1,0,0|2,0,0]=4 6513 B9R1.85 CC(=O)NCCC1CC1 1626a_100000764129_100015343762 [1,0,0,1,0,0|2,0,0]=4 6514 B9R1.85 CC(=O)NCCC1CC1 240690a_100000764129_100015343762 [1,0,0,1,0,0|2,0,0]=4 6515 B9R1.85 CC(=O)NCCC1CC1 527a_100000764129_100103153847 [1,0,0,1,0,0|2,0,0]=4 6516 B9R1.85 NC(=O)CCNC1CC1 34a_100000212008_100000731001 [1,0,0,1,0,0|2,0,0]=4 6517 B9R1.85 NC(=O)CCOC1CC1 34a_100000757172_100000211595 [1,0,0,1,0,0|2,0,0]=4 6518 B9R1.85 NC(=O)CCSC1CC1 62a_100000744528_100000211595 [1,0,0,1,0,0|2,0,0]=4 6519 B9R1.85 NC(=O)CNCC1CC1 2230a_100000711301_100000742324 [1,0,0,1,0,0|2,0,0]=4 6520 B9R1.85 NC(=O)CNCC1CC1 2230a_100000735609_100000747473 [1,0,0,1,0,0|2,0,0]=4 6521 B9R1.85 NC(=O)CNCC1CC1 34a_100000735609_100000187820 [1,0,0,1,0,0|2,0,0]=4 6522 B9R1.85 NC(=O)COCC1CC1 34a_100000211283_100000187820 [1,0,0,1,0,0|2,0,0]=4 6523 B9R1.85 NC(=O)CSCC1CC1 62a_100000747473_100000742324 [1,0,0,1,0,0|2,0,0]=4 6524 B9R1.85 NC(=O)CSCC1CC1 62a_100000756562_100000747473 [1,0,0,1,0,0|2,0,0]=4 6525 B9R1.85 O=C(O)CNCC1CC1 269956a_100016091260_100000742324 [1,0,0,1,0,0|1,0,0]=3 6526 B9R1.85 O=C(O)CNCC1CO1 269956a_100016091260_102125554688 [1,0,0,1,0,0|2,0,0]=4 6527 B9R1.85 O=C(O)CNCC1CS1 269956a_100016091260_100000031435 [1,0,0,1,0,0|2,0,0]=4 6528 B9R1.85 O=C(O)CNC[C@@H]1CO1 269956a_100016091260_100000745022 [1,0,0,1,0,0|2,0,0]=4 6529 B9R1.85 O=C(O)CONC1CC1 269956a_100000106656_100000211595 [1,0,0,1,0,0|2,0,0]=4 6530 B9R1.85 O=C([O-])CNCC1CC1 34a_100000735609_100020667443 [1,0,0,1,0,0|1,0,1]=4 6531 B9R1.85 O=C([O-])COCC1CC1 34a_100000211283_100020667443 [1,0,0,1,0,0|1,0,1]=4 6532 B9R1.85 O=C([O-])CSCC1CC1 62a_100000756562_100020667443 [1,0,0,1,0,0|1,0,1]=4 6533 B9R1.85 O=C([O-])CSCC1CC1 62a_100020667443_100000742324 [1,0,0,1,0,0|1,0,1]=4 6534 B9R1.85 [13CH3]C(=O)CSCC1CC1 1458a_200011316215_200025704644 [1,0,0,1,0,0|2,0,0]=4 6535 B9R1.96 CCN1CCC1C(=O)O 269956a_100000021838_100000210202 [1,0,0,1,0,0|1,0,0]=3 6536 B9R1.96 O=C(O)C1CCN1CF 269956a_100000021838_100015361967 [1,0,0,1,0,0|2,0,0]=4 6537 B9R1.35 CC(=O)C1CCC(C1)O 1458a_100000688591_200000210301 [1,0,0,1,0,0|2,0,0]=4 6538 B9R1.35 CC(=O)C1CCN(C1)C 1458a_100000739633_200000210301 [1,0,0,1,0,0|2,0,0]=4 6539 B9R1.35 CC(=O)N1CC[C@H](C1)C 11a_100016987628_100015343762 [1,0,0,1,0,0|2,0,0]=4 6540 B9R1.35 CC(=O)N1CC[C@H](C1)C 240690a_100016987628_100015343762 [1,0,0,1,0,0|2,0,0]=4 6541 B9R1.35 CC(=O)N1CC[C@H](C1)C 527a_100016987628_100103153847 [1,0,0,1,0,0|2,0,0]=4 6542 B9R1.35 CN1CCC(C1)C(=O)N 2230a_100000752358_200000210301 [1,0,0,1,0,0|2,0,0]=4 6543 B9R1.35 CN1CCC(C1)C(=O)N 269982a_100000752358_200000210301 [1,0,0,1,0,0|2,0,0]=4 6544 B9R1.35 CN1CCC(C1)C(=O)N 34a_100000752358_200000210301 [1,0,0,1,0,0|2,0,0]=4 6545 B9R1.35 CN1CCC(C1)C(=O)[13CH3] 1458a_100000739633_200025704644 [1,0,0,1,0,0|2,0,0]=4 6546 B9R1.35 [13CH3]C(=O)C1CCC(C1)O 1458a_100000688591_200025704644 [1,0,0,1,0,0|2,0,0]=4 6547 B9R1.35 [13CH3]N1CCC(C1)C(=O)N 2230a_100000752358_200025704644 [1,0,0,1,0,0|2,0,0]=4 6548 B9R1.35 [13CH3]N1CCC(C1)C(=O)N 269982a_100000752358_200025704644 [1,0,0,1,0,0|2,0,0]=4 6549 B9R1.35 [13CH3]N1CCC(C1)C(=O)N 34a_100000752358_200025704644 [1,0,0,1,0,0|2,0,0]=4 6550 B9R1.95 CC(=O)C1CC(C1)CO 1458a_206645079618_200000210301 [1,0,0,1,0,0|2,0,0]=4 6551 B9R1.95 CCC1CN(C1)C(=O)C 11a_100015205115_100015343762 [1,0,0,1,0,0|2,0,0]=4 6552 B9R1.95 CCC1CN(C1)C(=O)C 1626a_100015205115_100015343762 [1,0,0,1,0,0|2,0,0]=4 6553 B9R1.95 CCC1CN(C1)C(=O)C 240690a_100015205115_100015343762 [1,0,0,1,0,0|2,0,0]=4 6554 B9R1.95 CCC1CN(C1)C(=O)C 527a_100015205115_100103153847 [1,0,0,1,0,0|2,0,0]=4 6555 B9R1.95 CCN1CC(C1)C(=O)N 34a_100025753142_100000210202 [1,0,0,1,0,0|2,0,0]=4 6556 B9R1.95 CN[C@H]1C[C@H](C1)C(=O)O 269956a_100000738708_200000210301 [1,0,0,1,0,0|1,0,0]=3 6557 B9R1.95 COC1CC(C1)C(=O)C 1458a_100011999411_200000210301 [1,0,0,1,0,0|2,0,0]=4 6558 B9R1.95 COC1CC(C1)C(=O)[13CH3] 1458a_100011999411_200025704644 [1,0,0,1,0,0|2,0,0]=4 6559 B9R1.95 [13CH3]C(=O)C1CC(C1)CO 1458a_206645079618_200025704644 [1,0,0,1,0,0|2,0,0]=4 6560 B9R1.95 [13CH3]N[C@H]1C[C@H](C1)C(=O)O 269956a_100000738708_200025704644 [1,0,0,1,0,0|1,0,0]=3 6561 B9R1.110 CC(=O)C(C)N1CCC1 269982a_100000754969_100009814033 [1,0,0,1,0,0|2,0,0]=4 6562 B9R1.110 CC(=O)N(C)C1CCC1 11a_100000758072_100015343762 [1,0,0,1,0,0|2,0,0]=4 6563 B9R1.110 CC(=O)N(C)C1CCC1 1626a_100000758072_100015343762 [1,0,0,1,0,0|2,0,0]=4 6564 B9R1.110 CC(=O)N(C)C1CCC1 240690a_100000758072_100015343762 [1,0,0,1,0,0|2,0,0]=4 6565 B9R1.110 CC(=O)N(C)C1CCC1 527a_100000758072_100103153847 [1,0,0,1,0,0|2,0,0]=4 6566 B9R1.110 CC(C(=O)N)N1CCC1 269982a_100000754969_100000184083 [1,0,0,1,0,0|2,0,0]=4 6567 B9R1.112 CC(=O)C(C)OC1CC1 34a_100000212229_100000211595 [1,0,0,1,0,0|2,0,0]=4 6568 B9R1.112 CC(=O)C(C)SC1CC1 62a_100009814033_100000211595 [1,0,0,1,0,0|2,0,0]=4 6569 B9R1.112 CC(=O)N(C)CC1CC1 11a_100000741881_100015343762 [1,0,0,1,0,0|2,0,0]=4 6570 B9R1.112 CC(=O)N(C)CC1CC1 1626a_100000741881_100015343762 [1,0,0,1,0,0|2,0,0]=4 6571 B9R1.112 CC(=O)N(C)CC1CC1 240690a_100000741881_100015343762 [1,0,0,1,0,0|2,0,0]=4 6572 B9R1.112 CC(=O)N(C)CC1CC1 527a_100000741881_100103153847 [1,0,0,1,0,0|2,0,0]=4 6573 B9R1.112 CC(NC1CC1)C(=O)N 34a_100000212008_100000702099 [1,0,0,1,0,0|2,0,0]=4 6574 B9R1.112 CC(SC1CC1)C(=O)N 62a_100000702099_100000211595 [1,0,0,1,0,0|2,0,0]=4 6575 B9R1.112 C[C@@H](NC1CC1)C(=O)N 34a_100000119354_100000211595 [1,0,0,1,0,0|2,0,0]=4 6576 B9R1.112 C[C@@H](OC1CC1)C(=O)N 34a_100000731257_100000211595 [1,0,0,1,0,0|2,0,0]=4 6577 B9R1.112 C[C@H](NC1CC1)C(=O)O 269956a_100000743915_100000211595 [1,0,0,1,0,0|1,0,0]=3 6578 B9R1.163 CC(=O)C1(CCCC1)C 1458a_100000239728_200000210301 [1,0,0,1,0,0|1,0,0]=3 6579 B9R1.163 CC(=O)C1(CCCC1)O 1458a_100000242637_200000210301 [1,0,0,1,0,0|2,0,0]=4 6580 B9R1.163 CC(=O)C1(CCCO1)C 1458a_100000684770_200000210301 [1,0,0,1,0,0|2,0,0]=4 6581 B9R1.163 CC1(CCCC1)C(=O)[13CH3] 1458a_100000239728_200025704644 [1,0,0,1,0,0|1,0,0]=3 6582 B9R1.163 CC1(CCCO1)C(=O)[13CH3] 1458a_100000684770_200025704644 [1,0,0,1,0,0|2,0,0]=4 6583 B9R1.163 [13CH3]C(=O)C1(CCCC1)O 1458a_100000242637_200025704644 [1,0,0,1,0,0|2,0,0]=4 6584 B11R1.27 CCCCCN1CNC(=O)C1 2230a_200000708111_100000210326 [0,0,0,1,0,1|2,0,0]=4 6585 B11R1.27 CCCCNC1CNC(=O)C1 2230a_100000697751_100000210211 [0,0,0,1,0,1|2,0,0]=4 6586 B11R1.27 CCCCOC1CCC(=O)C1 34a_100012614533_100000210210 [0,0,0,1,0,1|2,0,0]=4 6587 B11R1.27 CCCCOC1CNC(=O)C1 34a_100000690082_100000210210 [0,0,0,1,0,1|2,0,0]=4 6588 B11R1.27 CCCCOC1COC(=O)O1 34a_100000210227_100000032252 [0,0,0,1,0,1|1,0,0]=3 6589 B11R1.27 CCCCSC1COC(=O)O1 62a_100000210211_100000032252 [0,0,0,1,0,1|1,0,0]=3 6590 B11R1.27 CCCNCC1CNC(=O)C1 2230a_100016993742_100000210303 [0,0,0,1,0,1|2,0,0]=4 6591 B11R1.27 CCCNCC1CNC(=O)C1 34a_100016993742_100000210303 [0,0,0,1,0,1|2,0,0]=4 6592 B11R1.27 CCCNC[C@H]1CCC(=O)N1 2230a_100015423886_100000210303 [0,0,0,1,0,1|2,0,0]=4 6593 B11R1.27 CCCNC[C@H]1CCC(=O)N1 34a_100015423886_100000210303 [0,0,0,1,0,1|2,0,0]=4 6594 B11R1.27 CCCOCC1=CC(=O)OC1 34a_100000210258_100000716558 [0,0,0,1,0,1|1,0,1]=4 6595 B11R1.27 CCCOCC1CCC(=O)N1 34a_100000737831_100000210303 [0,0,0,1,0,1|2,0,0]=4 6596 B11R1.27 CCCOCC1CNC(=O)C1 34a_100016041077_100000210303 [0,0,0,1,0,1|2,0,0]=4 6597 B11R1.27 CCCOCC1CNC(=O)O1 34a_100000210258_100000181169 [0,0,0,1,0,1|2,0,0]=4 6598 B11R1.27 CCCOCC1CNC(=O)O1 34a_100011315639_100000210303 [0,0,0,1,0,1|2,0,0]=4 6599 B11R1.27 CCCOCC1COC(=O)O1 34a_100000210258_100000073702 [0,0,0,1,0,1|1,0,0]=3 6600 B11R1.27 CCCOC[C@H]1COC(=O)N1 34a_100000210258_100015307671 [0,0,0,1,0,1|1,0,0]=3 6601 B11R1.27 CCCSCC1=CC(=O)OC1 62a_100000210303_100000716558 [0,0,0,1,0,1|1,0,1]=4 6602 B11R1.27 CCCSCC1=CC(=O)OC1 62a_100000716558_100000210303 [0,0,0,1,0,1|1,0,1]=4 6603 B11R1.27 CCCSCC1CNC(=O)O1 62a_100000181169_100000210303 [0,0,0,1,0,1|2,0,0]=4 6604 B11R1.27 CCCSCC1CNC(=O)O1 62a_100000210303_100000181169 [0,0,0,1,0,1|2,0,0]=4 6605 B11R1.27 CCCSCC1COC(=O)O1 62a_100000073702_100000210303 [0,0,0,1,0,1|1,0,0]=3 6606 B11R1.27 CCCSCC1COC(=O)O1 62a_100000210303_100000073702 [0,0,0,1,0,1|1,0,0]=3 6607 B11R1.27 CCCSC[C@@H]1CCC(=O)N1 62a_100000210303_100015189358 [0,0,0,1,0,1|2,0,0]=4 6608 B11R1.27 CCCSC[C@@H]1CCC(=O)N1 62a_100015189358_100000210303 [0,0,0,1,0,1|2,0,0]=4 6609 B11R1.27 CCCSC[C@H]1COC(=O)N1 62a_100000210303_100015307671 [0,0,0,1,0,1|1,0,0]=3 6610 B11R1.27 CCCSC[C@H]1COC(=O)N1 62a_100015307671_100000210303 [0,0,0,1,0,1|1,0,0]=3 6611 B11R1.27 CCOCSC1COC(=O)O1 62a_100000739092_100000032252 [0,0,0,1,0,1|2,0,0]=4 6612 B11R1.27 CCSCCC1COS(=O)O1 62a_100000210202_100009840081 [0,0,0,1,0,1|2,0,0]=4 6613 B11R1.27 COCCOC1COC(=O)O1 34a_100000210237_100000032252 [0,0,0,1,0,1|2,0,0]=4 6614 B11R1.27 COCCSC1COC(=O)O1 62a_100000233755_100000032252 [0,0,0,1,0,1|2,0,0]=4 6615 B11R1.27 COCSCC1COC(=O)O1 62a_100000073702_100000766300 [0,0,0,1,0,1|2,0,0]=4 6616 B11R1.27 COCSCC1COC(=O)O1 62a_100000766300_100000073702 [0,0,0,1,0,1|2,0,0]=4 6617 B11R1.27 COCSC[C@H]1COC(=O)N1 62a_100000766300_100015307671 [0,0,0,1,0,1|2,0,0]=4 6618 B11R1.27 COCSC[C@H]1COC(=O)N1 62a_100015307671_100000766300 [0,0,0,1,0,1|2,0,0]=4 6619 B11R1.27 CSCCOC1COC(=O)O1 34a_100000230434_100000032252 [0,0,0,1,0,1|2,0,0]=4 6620 B11R1.27 CSCCSC1COC(=O)O1 62a_100000212216_100000032252 [0,0,0,1,0,1|2,0,0]=4 6621 B11R1.27 CSCSCC1COC(=O)O1 62a_100000073702_100011218213 [0,0,0,1,0,1|2,0,0]=4 6622 B11R1.27 CSCSCC1COC(=O)O1 62a_100011218213_100000073702 [0,0,0,1,0,1|2,0,0]=4 6623 B11R1.27 CSCSC[C@H]1COC(=O)N1 62a_100011218213_100015307671 [0,0,0,1,0,1|2,0,0]=4 6624 B11R1.27 CSCSC[C@H]1COC(=O)N1 62a_100015307671_100011218213 [0,0,0,1,0,1|2,0,0]=4 6625 B11R1.27 NCCCOC1COC(=O)O1 34a_100000182051_100000032252 [0,0,0,1,0,1|2,0,0]=4 6626 B11R1.27 NCCOCC1COC(=O)O1 34a_100000210304_100000073702 [0,0,0,1,0,1|2,0,0]=4 6627 B11R1.27 NCCOC[C@H]1COC(=O)N1 34a_100000210304_100015307671 [0,0,0,1,0,1|2,0,0]=4 6628 B11R1.27 O=C1N[C@H](CO1)CNCCF 34a_100000724931_100015307671 [0,0,0,1,0,1|2,0,0]=4 6629 B11R1.27 O=C1N[C@H](CO1)CNCCO 2230a_100016997473_100015307671 [0,0,0,1,0,1|2,0,0]=4 6630 B11R1.27 O=C1N[C@H](CO1)CNCCO 34a_100016990907_100015307671 [0,0,0,1,0,1|2,0,0]=4 6631 B11R1.27 O=C1N[C@H](CO1)COCCBr 34a_100000211926_100015307671 [0,0,0,1,0,1|2,0,0]=4 6632 B11R1.27 O=C1N[C@H](CO1)CSCCF 62a_100011217306_100015307671 [0,0,0,1,0,1|2,0,0]=4 6633 B11R1.27 O=C1N[C@H](CO1)CSCCF 62a_100015307671_100011217306 [0,0,0,1,0,1|2,0,0]=4 6634 B11R1.27 O=C1N[C@H](CO1)CSCCO 62a_100000211926_100015307671 [0,0,0,1,0,1|2,0,0]=4 6635 B11R1.27 O=C1N[C@H](CO1)CSCCO 62a_100015307671_100000211926 [0,0,0,1,0,1|2,0,0]=4 6636 B11R1.27 O=C1OCC(O1)CNCCF 34a_100000724931_100000073702 [0,0,0,1,0,1|2,0,0]=4 6637 B11R1.27 O=C1OCC(O1)CNCCO 34a_100016990907_100000073702 [0,0,0,1,0,1|2,0,0]=4 6638 B11R1.27 O=C1OCC(O1)COCCBr 34a_100000211926_100000073702 [0,0,0,1,0,1|2,0,0]=4 6639 B11R1.27 O=C1OCC(O1)CSCCF 62a_100000073702_100011217306 [0,0,0,1,0,1|2,0,0]=4 6640 B11R1.27 O=C1OCC(O1)CSCCF 62a_100011217306_100000073702 [0,0,0,1,0,1|2,0,0]=4 6641 B11R1.27 O=C1OCC(O1)CSCCO 62a_100000073702_100000211926 [0,0,0,1,0,1|2,0,0]=4 6642 B11R1.27 O=C1OCC(O1)CSCCO 62a_100000211926_100000073702 [0,0,0,1,0,1|2,0,0]=4 6643 B11R1.27 O=C1OCC(O1)NCCCF 34a_100015189416_100000032252 [0,0,0,1,0,1|2,0,0]=4 6644 B11R1.27 O=C1OCC(O1)OCCCBr 34a_100011217188_100000032252 [0,0,0,1,0,1|2,0,0]=4 6645 B11R1.27 O=C1OCC(O1)OCCCCl 34a_100000230001_100000032252 [0,0,0,1,0,1|2,0,0]=4 6646 B11R1.27 O=C1OCC(O1)OCCCF 34a_100000759539_100000032252 [0,0,0,1,0,1|2,0,0]=4 6647 B11R1.27 O=C1OCC(O1)SCCCF 62a_100011934791_100000032252 [0,0,0,1,0,1|2,0,0]=4 6648 B11R1.27 O=C1OCC(O1)SCCCO 62a_100011215043_100000032252 [0,0,0,1,0,1|2,0,0]=4 6649 B11R1.43 CCN1CCC(C1)CC(=O)C 1458a_100000070787_100015184589 [0,0,0,1,0,1|2,0,0]=4 6650 B11R1.43 CCN1CCC(C1)CC(=O)O 269956a_100000719201_100000210202 [0,0,0,1,0,1|1,0,0]=3 6651 B11R1.43 CCN1CCC(C1)NC(=O)C 11a_100015188829_100015343762 [0,0,0,1,0,1|2,0,0]=4 6652 B11R1.43 CCN1CCC(C1)NC(=O)C 1626a_100015188829_100015343762 [0,0,0,1,0,1|2,0,0]=4 6653 B11R1.43 CCN1CCC(C1)NC(=O)C 240690a_100015188829_100015343762 [0,0,0,1,0,1|2,0,0]=4 6654 B11R1.43 CCN1CCC(C1)NC(=O)C 527a_100015188829_100103153847 [0,0,0,1,0,1|2,0,0]=4 6655 B11R1.43 CCN1CC[C@@H](C1)NC(=O)C 2230a_100016989438_100000210202 [0,0,0,1,0,1|2,0,0]=4 6656 B11R1.43 CCN1CC[C@@H](C1)NC(=O)C 269982a_100016989438_100000204670 [0,0,0,1,0,1|2,0,0]=4 6657 B11R1.43 O=C(O)CC1CCN(C1)CF 269956a_100000719201_100015361967 [0,0,0,1,0,1|2,0,0]=4 6658 B11R1.77 CC(=O)CC(C)N1CCCC1 1458a_100000070787_200015187269 [0,0,0,1,0,1|2,0,0]=4 6659 B11R1.77 CC(=O)CN(C)C1CCCC1 1458a_100073796569_200000210301 [0,0,0,1,0,1|2,0,0]=4 6660 B11R1.77 CC(=O)NC(C)C1CCCC1 11a_100015185923_100015343762 [0,0,0,1,0,1|1,0,0]=3 6661 B11R1.77 CC(=O)NC(C)C1CCCC1 1626a_100015185923_100015343762 [0,0,0,1,0,1|1,0,0]=3 6662 B11R1.77 CC(=O)NC(C)C1CCCC1 240690a_100015185923_100015343762 [0,0,0,1,0,1|1,0,0]=3 6663 B11R1.77 CC(=O)NC(C)C1CCCC1 527a_100015185923_100103153847 [0,0,0,1,0,1|1,0,0]=3 6664 B11R1.77 CC(=O)NC(C)C1CCCO1 11a_100025754208_100015343762 [0,0,0,1,0,1|2,0,0]=4 6665 B11R1.77 CC(=O)NC(C)C1CCCO1 1626a_100025754208_100015343762 [0,0,0,1,0,1|2,0,0]=4 6666 B11R1.77 CC(=O)NC(C)C1CCCO1 240690a_100025754208_100015343762 [0,0,0,1,0,1|2,0,0]=4 6667 B11R1.77 CC(=O)NC(C)C1CCCO1 527a_100025754208_100103153847 [0,0,0,1,0,1|2,0,0]=4 6668 B11R1.77 CC(=O)OC(C)N1CCCC1 269982a_100000188435_100009818208 [0,0,0,1,0,1|2,0,0]=4 6669 B11R1.77 CN(CC(=O)N)C1CCCC1 2230a_100000207505_100000747473 [0,0,0,1,0,1|2,0,0]=4 6670 B11R1.77 CN(CC(=O)N)C1CCCC1 2230a_100000739694_100000179811 [0,0,0,1,0,1|2,0,0]=4 6671 B11R1.77 CN(CC(=O)N)C1CCCC1 269982a_100000207505_100000187820 [0,0,0,1,0,1|2,0,0]=4 6672 B11R1.77 CN(CC(=O)N)C1CCCC1 270004a_100000739694_100000210133 [0,0,0,1,0,1|2,0,0]=4 6673 B11R1.77 CN(CC(=O)N)C1CCCC1 34a_100000207505_100000187820 [0,0,0,1,0,1|2,0,0]=4 6674 B11R1.77 CN(CC(=O)O)C1CCCC1 269956a_100000746989_100000179811 [0,0,0,1,0,1|1,0,0]=3 6675 B11R1.77 CN(CC(=O)O)C1CCOC1 269956a_100000746989_100000731011 [0,0,0,1,0,1|2,0,0]=4 6676 B11R1.77 CN(CC(=O)[13CH3])C1CCCC1 1458a_100073796569_200025704644 [0,0,0,1,0,1|2,0,0]=4 6677 B11R1.77 CN(CC(=O)[O-])C1CCCC1 269982a_100000207505_100020667443 [0,0,0,1,0,1|1,0,1]=4 6678 B11R1.77 CN(CC(=O)[O-])C1CCCC1 34a_100000207505_100020667443 [0,0,0,1,0,1|1,0,1]=4 6679 B11R1.120 CCCN1CC(C1)CC(=O)O 269956a_100016993960_100000210207 [0,0,0,1,0,1|1,0,0]=3 6680 B11R1.120 CCCN1CC(C1)OC(=O)C 269982a_100016994906_100000210303 [0,0,0,1,0,1|2,0,0]=4 6681 B11R1.120 COCC1CC(C1)NC(=O)C 11a_100012180050_100015343762 [0,0,0,1,0,1|2,0,0]=4 6682 B11R1.120 COCC1CC(C1)NC(=O)C 1626a_100012180050_100015343762 [0,0,0,1,0,1|2,0,0]=4 6683 B11R1.120 COCC1CC(C1)NC(=O)C 240690a_100012180050_100015343762 [0,0,0,1,0,1|2,0,0]=4 6684 B11R1.120 COCC1CC(C1)NC(=O)C 527a_100012180050_100103153847 [0,0,0,1,0,1|2,0,0]=4 6685 B11R1.120 COCN1CC(C1)CC(=O)O 269956a_100016993960_100000766300 [0,0,0,1,0,1|2,0,0]=4 6686 B11R1.120 CSCN1CC(C1)CC(=O)O 269956a_100016993960_100011218213 [0,0,0,1,0,1|2,0,0]=4 6687 B11R1.120 O=C(O)CC1CN(C1)CCF 269956a_100016993960_100011217306 [0,0,0,1,0,1|2,0,0]=4 6688 B11R1.120 O=C(O)CC1CN(C1)CCO 269956a_100016993960_100000211926 [0,0,0,1,0,1|2,0,0]=4 6689 B11R1.141 CC(=O)OC(C)N1CCC1C 269982a_100000755817_100009818208 [0,0,0,1,0,1|2,0,0]=4 6690 B11R1.143 CC(=O)C1CCCCCN1C 1458a_100015187800_200000210301 [0,0,0,1,0,1|2,0,0]=4 6691 B11R1.143 CN1CCCCCC1C(=O)O 269956a_100000758484_200000210301 [0,0,0,1,0,1|1,0,0]=3 6692 B11R1.143 CN1CCCCCC1C(=O)[13CH3] 1458a_100015187800_200025704644 [0,0,0,1,0,1|2,0,0]=4 6693 B11R1.143 [13CH3]N1CCCCCC1C(=O)O 269956a_100000758484_200025704644 [0,0,0,1,0,1|1,0,0]=3 6694 B11R1.156 CC(=O)N1C(CCCC1C)C 11a_100000210447_100015343762 [0,0,0,1,0,1|1,0,0]=3 6695 B11R1.156 CC(=O)N1C(CCCC1C)C 240690a_100000210447_100015343762 [0,0,0,1,0,1|1,0,0]=3 6696 B11R1.156 CC(=O)N1[C@@H](COC[C@@H]1C)C 11a_100103153222_100015343762 [0,0,0,1,0,1|2,0,0]=4 6697 B11R1.156 CC(=O)N1[C@@H](COC[C@@H]1C)C 240690a_100103153222_100015343762 [0,0,0,1,0,1|2,0,0]=4 6698 B11R1.157 CC(=O)CC1CCCC(C1)C 1458a_100000748788_200000210301 [0,0,0,1,0,1|1,0,0]=3 6699 B11R1.157 CC(=O)CC1CCCN(C1)C 1458a_100000070787_100015183302 [0,0,0,1,0,1|2,0,0]=4 6700 B11R1.157 CC(=O)NC1CCCC(C1)C 11a_100011194320_100015343762 [0,0,0,1,0,1|1,0,0]=3 6701 B11R1.157 CC(=O)NC1CCCC(C1)C 1626a_100011194320_100015343762 [0,0,0,1,0,1|1,0,0]=3 6702 B11R1.157 CC(=O)NC1CCCC(C1)C 240690a_100011194320_100015343762 [0,0,0,1,0,1|1,0,0]=3 6703 B11R1.157 CC(=O)NC1CCCC(C1)C 527a_100011194320_100103153847 [0,0,0,1,0,1|1,0,0]=3 6704 B11R1.157 CC(=O)NC1CCCC(C1)O 1626a_100015190357_100015343762 [0,0,0,1,0,1|2,0,0]=4 6705 B11R1.157 CC(=O)NC1CCCC(C1)O 240690a_100015190357_100015343762 [0,0,0,1,0,1|2,0,0]=4 6706 B11R1.157 CC(=O)NC1CCCN(C1)C 2230a_106657272119_200000210301 [0,0,0,1,0,1|2,0,0]=4 6707 B11R1.157 CC(=O)NC1CCCN(C1)C 269982a_106657272119_200000210301 [0,0,0,1,0,1|2,0,0]=4 6708 B11R1.157 CC(=O)NC1CCCN(C1)[13CH3] 2230a_106657272119_200025704644 [0,0,0,1,0,1|2,0,0]=4 6709 B11R1.157 CC(=O)NC1CCCN(C1)[13CH3] 269982a_106657272119_200025704644 [0,0,0,1,0,1|2,0,0]=4 6710 B11R1.157 CC(=O)N[C@H]1CCCN(C1)C 240690a_100016992120_100015343762 [0,0,0,1,0,1|2,0,0]=4 6711 B11R1.157 CC(=O)N[C@H]1CCCN(C1)C 527a_100016992120_100103153847 [0,0,0,1,0,1|2,0,0]=4 6712 B11R1.157 CC1CCCC(C1)CC(=O)[13CH3] 1458a_100000748788_200025704644 [0,0,0,1,0,1|1,0,0]=3 6713 B11R1.157 CN1CCCC(C1)CC(=O)O 269956a_100015207179_200000210301 [0,0,0,1,0,1|1,0,0]=3 6714 B11R1.157 CN1CCOC(C1)CC(=O)O 269956a_100015183369_200000210301 [0,0,0,1,0,1|2,0,0]=4 6715 B11R1.157 C[C@H]1CCCN(C1)CC(=O)N 2230a_100000717927_100000747473 [0,0,0,1,0,1|2,0,0]=4 6716 B11R1.157 C[C@H]1CCCN(C1)CC(=O)N 269982a_100000717927_100000187820 [0,0,0,1,0,1|2,0,0]=4 6717 B11R1.157 C[C@H]1CCCN(C1)CC(=O)N 34a_100000717927_100000187820 [0,0,0,1,0,1|2,0,0]=4 6718 B11R1.157 C[C@H]1CCCN(C1)CC(=O)[O-] 269982a_100000717927_100020667443 [0,0,0,1,0,1|1,0,1]=4 6719 B11R1.157 C[C@H]1CCCN(C1)CC(=O)[O-] 34a_100000717927_100020667443 [0,0,0,1,0,1|1,0,1]=4 6720 B11R1.157 [13CH3]N1CCCC(C1)CC(=O)O 269956a_100015207179_200025704644 [0,0,0,1,0,1|1,0,0]=3 6721 B11R1.157 [13CH3]N1CCOC(C1)CC(=O)O 269956a_100015183369_200025704644 [0,0,0,1,0,1|2,0,0]=4 6722 B11R1.484 CC(=O)OC(C)SC1CCC1 62a_100009818208_100000749161 [0,0,0,1,0,1|2,0,0]=4 6723 B11R1.484 CN(CC(=O)N)CC1CCC1 2230a_100000739694_100000763275 [0,0,0,1,0,1|2,0,0]=4 6724 B11R1.484 CN(CC(=O)N)CC1CCC1 2230a_200000750244_100000747473 [0,0,0,1,0,1|2,0,0]=4 6725 B11R1.484 CN(CC(=O)N)CC1CCC1 269982a_200000750244_100000187820 [0,0,0,1,0,1|2,0,0]=4 6726 B11R1.484 CN(CC(=O)N)CC1CCC1 34a_200000750244_100000187820 [0,0,0,1,0,1|2,0,0]=4 6727 B11R1.484 CN(CC(=O)O)CC1CCC1 269956a_100000746989_100000763275 [0,0,0,1,0,1|1,0,0]=3 6728 B11R1.484 CN(CC(=O)O)CC1CCO1 269956a_100000746989_100000103362 [0,0,0,1,0,1|2,0,0]=4 6729 B11R1.484 CN(CC(=O)O)CC1COC1 269956a_100000746989_100010264016 [0,0,0,1,0,1|2,0,0]=4 6730 B11R1.484 CN(CC(=O)[O-])CC1CCC1 269982a_200000750244_100020667443 [0,0,0,1,0,1|1,0,1]=4 6731 B11R1.484 CN(CC(=O)[O-])CC1CCC1 34a_200000750244_100020667443 [0,0,0,1,0,1|1,0,1]=4 6732 B11R1.485 CC(=O)OC(C)SCC1CC1 62a_100000756562_100009818208 [0,0,0,1,0,1|2,0,0]=4 6733 B11R1.485 CC(=O)OC(C)SCC1CC1 62a_100009818208_100000742324 [0,0,0,1,0,1|2,0,0]=4 6734 B11R1.485 CN(CCC1CC1)CC(=O)N 2230a_100000739694_100000694398 [0,0,0,1,0,1|2,0,0]=4 6735 B11R1.485 CN(CCC1CC1)CC(=O)O 269956a_100000746989_100000694398 [0,0,0,1,0,1|1,0,0]=3 6736 B11R1.485 CN(CCC1CO1)CC(=O)O 269956a_100000746989_100000732470 [0,0,0,1,0,1|2,0,0]=4 6737 B11R1.485 O=C(O)CC(O)CNC1CC1 269956a_100011218706_100000211595 [0,0,0,1,0,1|2,0,0]=4 6738 B11R1.742 CC(=O)C=C1CCCCCC1 1458a_100011240665_200000210301 [0,0,0,1,0,1|1,0,1]=4 6739 B11R1.742 CC(=O)CC1CCCCCC1 1458a_100000070787_200000696569 [0,0,0,1,0,1|1,0,0]=3 6740 B11R1.742 CC(=O)CC1CCCCCC1 1458a_100000685095_200000210301 [0,0,0,1,0,1|1,0,0]=3 6741 B11R1.742 CC(=O)CN1CCCCCC1 1458a_100000740298_200000210301 [0,0,0,1,0,1|2,0,0]=4 6742 B11R1.742 CC(=O)NC1CCCCCC1 11a_100000210984_100015343762 [0,0,0,1,0,1|1,0,0]=3 6743 B11R1.742 CC(=O)NC1CCCCCC1 1626a_100000210984_100015343762 [0,0,0,1,0,1|1,0,0]=3 6744 B11R1.742 CC(=O)NC1CCCCCC1 240690a_100000210984_100015343762 [0,0,0,1,0,1|1,0,0]=3 6745 B11R1.742 CC(=O)NC1CCCCCC1 527a_100000210984_100103153847 [0,0,0,1,0,1|1,0,0]=3 6746 B11R1.742 NC(=O)CN1CCCCCC1 2230a_100000185865_100000747473 [0,0,0,1,0,1|2,0,0]=4 6747 B11R1.742 NC(=O)CN1CCCCCC1 269982a_100000185865_100000187820 [0,0,0,1,0,1|2,0,0]=4 6748 B11R1.742 NC(=O)CN1CCCCCC1 34a_100000185865_100000187820 [0,0,0,1,0,1|2,0,0]=4 6749 B11R1.742 O=C([O-])CN1CCCCCC1 269982a_100000185865_100020667443 [0,0,0,1,0,1|1,0,1]=4 6750 B11R1.742 O=C([O-])CN1CCCCCC1 34a_100000185865_100020667443 [0,0,0,1,0,1|1,0,1]=4 6751 B11R1.742 [13CH3]C(=O)C=C1CCCCCC1 1458a_100011240665_200025704644 [0,0,0,1,0,1|1,0,1]=4 6752 B11R1.742 [13CH3]C(=O)CC1CCCCCC1 1458a_100000685095_200025704644 [0,0,0,1,0,1|1,0,0]=3 6753 B11R1.742 [13CH3]C(=O)CN1CCCCCC1 1458a_100000740298_200025704644 [0,0,0,1,0,1|2,0,0]=4 6754 B11R1.928 CC(=O)CC1(CCCCC1)O 1458a_100000755886_200000210301 [0,0,0,1,0,1|2,0,0]=4 6755 B11R1.928 CC(=O)NC1(CCCCC1)C 11a_100000741114_100015343762 [0,0,0,1,0,1|1,0,0]=3 6756 B11R1.928 CC(=O)NC1(CCCCC1)C 1626a_100000741114_100015343762 [0,0,0,1,0,1|1,0,0]=3 6757 B11R1.928 CC(=O)NC1(CCCCC1)C 240690a_100000741114_100015343762 [0,0,0,1,0,1|1,0,0]=3 6758 B11R1.928 CC(=O)NC1(CCCCC1)C 527a_100000741114_100103153847 [0,0,0,1,0,1|1,0,0]=3 6759 B11R1.928 CC(=O)NC1(CCOCC1)C 11a_100000692449_100015343762 [0,0,0,1,0,1|2,0,0]=4 6760 B11R1.928 CC(=O)NC1(CCOCC1)C 1626a_100000692449_100015343762 [0,0,0,1,0,1|2,0,0]=4 6761 B11R1.928 CC(=O)NC1(CCOCC1)C 240690a_100000692449_100015343762 [0,0,0,1,0,1|2,0,0]=4 6762 B11R1.928 CC(=O)NC1(CCOCC1)C 527a_100000692449_100103153847 [0,0,0,1,0,1|2,0,0]=4 6763 B11R1.928 [13CH3]C(=O)CC1(CCCCC1)O 1458a_100000755886_200025704644 [0,0,0,1,0,1|2,0,0]=4 6764 B11R1.35 C=C(C)C(C)NC1CCCC1 269862a_100000211070_100011216138 [0,1,0,1,0,0|2,0,0]=4 6765 B11R1.35 CC(=O)C(C)NC1CCCC1 2230a_100000211070_100009814033 [0,1,0,1,0,0|1,0,0]=3 6766 B11R1.35 CC(=O)C(C)N[C@@H]1CCOC1 2230a_200015188469_100009814033 [0,1,0,1,0,0|2,0,0]=4 6767 B11R1.35 CC(=O)C(C)N[C@H]1CCOC1 2230a_100015188467_100009814033 [0,1,0,1,0,0|2,0,0]=4 6768 B11R1.35 CC(=O)C(C)OC1CCCC1 34a_100000212229_100000179811 [0,1,0,1,0,0|1,0,0]=3 6769 B11R1.35 CC(=O)C(C)OC1CCCC1 7a_100000210269_100000179758 [0,1,0,1,0,0|1,0,0]=3 6770 B11R1.35 CC(=O)C(C)OC1CCOC1 34a_100000212229_100000690089 [0,1,0,1,0,0|2,0,0]=4 6771 B11R1.35 CC(=O)C(C)OC1CCSC1 7a_100011232664_100000179758 [0,1,0,1,0,0|2,0,0]=4 6772 B11R1.35 CC(=O)C(C)SC1CCCC1 62a_100009814033_100000179811 [0,1,0,1,0,0|1,0,0]=3 6773 B11R1.35 CC(=O)C(C)SC1CCCC1 62a_100011217020_100009814033 [0,1,0,1,0,0|1,0,0]=3 6774 B11R1.35 CC(=O)C(C)SC1CCOC1 62a_100009814033_100000690089 [0,1,0,1,0,0|2,0,0]=4 6775 B11R1.35 CC(=O)N(C)CC1CCCO1 11a_100102946541_100015343762 [0,1,0,1,0,0|2,0,0]=4 6776 B11R1.35 CC(=O)N(C)CC1CCCO1 1626a_100102946541_100015343762 [0,1,0,1,0,0|2,0,0]=4 6777 B11R1.35 CC(=O)N(C)CC1CCCO1 240690a_100102946541_100015343762 [0,1,0,1,0,0|2,0,0]=4 6778 B11R1.35 CC(=O)N(C)CC1CCCO1 527a_100102946541_100103153847 [0,1,0,1,0,0|2,0,0]=4 6779 B11R1.35 CC(=O)N(C)CC1CCOC1 11a_100000684583_100015343762 [0,1,0,1,0,0|2,0,0]=4 6780 B11R1.35 CC(=O)N(C)CC1CCOC1 1626a_100000684583_100015343762 [0,1,0,1,0,0|2,0,0]=4 6781 B11R1.35 CC(=O)N(C)CC1CCOC1 240690a_100000684583_100015343762 [0,1,0,1,0,0|2,0,0]=4 6782 B11R1.35 CC(=O)N(C)CC1CCOC1 527a_100000684583_100103153847 [0,1,0,1,0,0|2,0,0]=4 6783 B11R1.35 CC(NC1CCCC1)C(=O)N 2230a_100000211070_100000702099 [0,1,0,1,0,0|1,0,0]=3 6784 B11R1.35 CC(NC1CCCC1)C(=O)N 34a_100000211070_100000702099 [0,1,0,1,0,0|1,0,0]=3 6785 B11R1.35 CC(N[C@@H]1CCOC1)C(=O)N 2230a_200015188469_100000702099 [0,1,0,1,0,0|2,0,0]=4 6786 B11R1.35 CC(N[C@H]1CCOC1)C(=O)N 2230a_100015188467_100000702099 [0,1,0,1,0,0|2,0,0]=4 6787 B11R1.35 CC(N[C@H]1CCOC1)C(=O)N 34a_100015188467_100000702099 [0,1,0,1,0,0|2,0,0]=4 6788 B11R1.35 CC(OC1CCCC1)C(=O)N 34a_100000210269_100000702099 [0,1,0,1,0,0|1,0,0]=3 6789 B11R1.35 CC(OC1CCCC1)C(=O)N 7a_100000210269_100000702099 [0,1,0,1,0,0|1,0,0]=3 6790 B11R1.35 CC(OC1CCCO1)C(=O)N 34a_100000085407_100000702099 [0,1,0,1,0,0|2,0,0]=4 6791 B11R1.35 CC(OC1CCSC1)C(=O)N 7a_100011232664_100000702099 [0,1,0,1,0,0|2,0,0]=4 6792 B11R1.35 CC(O[C@H]1CCOC1)C(=O)N 34a_100000717292_100000702099 [0,1,0,1,0,0|2,0,0]=4 6793 B11R1.35 CC(SC1CCCC1)C(=O)N 62a_100000702099_100000179811 [0,1,0,1,0,0|1,0,0]=3 6794 B11R1.35 CC(SC1CCCC1)C(=O)N 62a_100011217020_100000702099 [0,1,0,1,0,0|1,0,0]=3 6795 B11R1.35 CC(SC1CCOC1)C(=O)N 62a_100000702099_100000690089 [0,1,0,1,0,0|2,0,0]=4 6796 B11R1.35 C[C@@H](NC1CCCC1)C(=O)N 2230a_100000119354_100000179811 [0,1,0,1,0,0|1,0,0]=3 6797 B11R1.35 C[C@@H](NC1CCCC1)C(=O)N 270004a_100000119354_100000210133 [0,1,0,1,0,0|1,0,0]=3 6798 B11R1.35 C[C@@H](NC1CCCC1)C(=O)N 34a_100000119354_100000179811 [0,1,0,1,0,0|1,0,0]=3 6799 B11R1.35 C[C@@H](NC1CCOC1)C(=O)N 2230a_100000119354_100000731011 [0,1,0,1,0,0|2,0,0]=4 6800 B11R1.35 C[C@@H](NC1CCOC1)C(=O)N 270004a_100000119354_100000752484 [0,1,0,1,0,0|2,0,0]=4 6801 B11R1.35 C[C@@H](NC1CCOC1)C(=O)N 34a_100000119354_100000690089 [0,1,0,1,0,0|2,0,0]=4 6802 B11R1.35 C[C@@H](NC1CCSC1)C(=O)N 270004a_100000119354_100000212027 [0,1,0,1,0,0|2,0,0]=4 6803 B11R1.35 C[C@@H](OC1CCCC1)C(=O)N 34a_100000731257_100000179811 [0,1,0,1,0,0|1,0,0]=3 6804 B11R1.35 C[C@@H](OC1CCCC1)C(=O)N 7a_100000731257_100000179811 [0,1,0,1,0,0|1,0,0]=3 6805 B11R1.35 C[C@@H](OC1CCOC1)C(=O)N 34a_100000731257_100000690089 [0,1,0,1,0,0|2,0,0]=4 6806 B11R1.35 C[C@@H](OC1CCOC1)C(=O)N 7a_100000731257_100000731011 [0,1,0,1,0,0|2,0,0]=4 6807 B11R1.35 C[C@H](NC1CCCC1)C(=O)O 269956a_100000743915_100000179811 [0,1,0,1,0,0|0,0,0]=2 6808 B11R1.35 C[C@H](NC1CCOC1)C(=O)O 269956a_100000743915_100000731011 [0,1,0,1,0,0|1,0,0]=3 6809 B11R1.35 C[C@H](OC1CCCC1)C(=O)[O-] 7a_217856618621_100000179811 [0,1,0,1,0,0|0,0,1]=3 6810 B11R1.35 C[C@H](OC1CCOC1)C(=O)[O-] 7a_217856618621_100000731011 [0,1,0,1,0,0|1,0,1]=4 6811 B11R1.35 NC(=O)C(F)NC1CCCC1 2230a_100000211070_100009813875 [0,1,0,1,0,0|2,0,0]=4 6812 B11R1.35 NC(=O)C(F)NC1CCCC1 34a_100000211070_100009813875 [0,1,0,1,0,0|2,0,0]=4 6813 B11R1.35 NC(=O)C(F)OC1CCCC1 34a_100000210269_100009813875 [0,1,0,1,0,0|2,0,0]=4 6814 B11R1.35 NC(=O)C(F)OC1CCCC1 7a_100000210269_100009813875 [0,1,0,1,0,0|2,0,0]=4 6815 B11R1.35 NC(=O)C(F)SC1CCCC1 62a_100009813875_100000179811 [0,1,0,1,0,0|2,0,0]=4 6816 B11R1.35 NC(=O)C(F)SC1CCCC1 62a_100011217020_100009813875 [0,1,0,1,0,0|2,0,0]=4 6817 B11R1.35 O=C([O-])C(F)NC1CCCC1 34a_100000211070_100020610796 [0,1,0,1,0,0|1,0,1]=4 6818 B11R1.35 O=C([O-])C(F)OC1CCCC1 34a_100000210269_100020610796 [0,1,0,1,0,0|1,0,1]=4 6819 B11R1.35 O=C([O-])C(F)SC1CCCC1 62a_100011217020_100020610796 [0,1,0,1,0,0|1,0,1]=4 6820 B11R1.35 O=C([O-])C(F)SC1CCCC1 62a_100020610796_100000179811 [0,1,0,1,0,0|1,0,1]=4 6821 B11R1.74 CC(=O)N1CC(CC(C1)C)C 11a_100000210448_100015343762 [0,1,0,1,0,0|2,0,0]=4 6822 B11R1.74 CC(=O)N1CC(CC(C1)C)C 240690a_100000210448_100015343762 [0,1,0,1,0,0|2,0,0]=4 6823 B11R1.74 CC(=O)N1CC(CC(C1)C)C 527a_100000210448_100103153847 [0,1,0,1,0,0|2,0,0]=4 6824 B11R1.89 CC(=O)C(C)N1CCC[C@@H]1C 2230a_100020605311_100009814033 [0,1,0,1,0,0|1,0,0]=3 6825 B11R1.89 CC(=O)C(C)N1CCC[C@@H]1C 269982a_100020605311_100009814033 [0,1,0,1,0,0|1,0,0]=3 6826 B11R1.89 CC(=O)C(C)N1CCC[C@H]1C 2230a_100015189458_100009814033 [0,1,0,1,0,0|1,0,0]=3 6827 B11R1.89 CC(=O)C(C)N1CCC[C@H]1C 269982a_100015189458_100009814033 [0,1,0,1,0,0|1,0,0]=3 6828 B11R1.89 CC(=O)C(C)N1CCSC1C 2230a_200011216479_100009814033 [0,1,0,1,0,0|2,0,0]=4 6829 B11R1.89 CC(=O)C(C)N1CCSC1C 269982a_200011216479_100009814033 [0,1,0,1,0,0|2,0,0]=4 6830 B11R1.89 CC(C(=O)N)N1CCC[C@@H]1C 2230a_100020605311_100000702099 [0,1,0,1,0,0|1,0,0]=3 6831 B11R1.89 CC(C(=O)N)N1CCC[C@@H]1C 269982a_100020605311_100000184083 [0,1,0,1,0,0|1,0,0]=3 6832 B11R1.89 CC(C(=O)N)N1CCC[C@H]1C 2230a_100015189458_100000702099 [0,1,0,1,0,0|1,0,0]=3 6833 B11R1.89 CC(C(=O)N)N1CCC[C@H]1C 269982a_100015189458_100000184083 [0,1,0,1,0,0|1,0,0]=3 6834 B11R1.89 CC(C(=O)N)N1CCC[C@H]1C 34a_100015189458_100000702099 [0,1,0,1,0,0|1,0,0]=3 6835 B11R1.89 CC1SCCN1C(C)C(=O)N 2230a_200011216479_100000702099 [0,1,0,1,0,0|2,0,0]=4 6836 B11R1.89 CC1SCCN1C(C)C(=O)N 269982a_200011216479_100000184083 [0,1,0,1,0,0|2,0,0]=4 6837 B11R1.89 CC1SCCN1C(C)C(=O)N 34a_200011216479_100000702099 [0,1,0,1,0,0|2,0,0]=4 6838 B11R1.89 C[C@@H]1CCCN1C(F)C(=O)N 2230a_100015189458_100009813875 [0,1,0,1,0,0|2,0,0]=4 6839 B11R1.89 C[C@@H]1CCCN1C(F)C(=O)N 269982a_100015189458_100009813875 [0,1,0,1,0,0|2,0,0]=4 6840 B11R1.89 C[C@@H]1CCCN1C(F)C(=O)N 34a_100015189458_100009813875 [0,1,0,1,0,0|2,0,0]=4 6841 B11R1.89 C[C@@H]1CCCN1C(F)C(=O)[O-] 34a_100015189458_100020610796 [0,1,0,1,0,0|1,0,1]=4 6842 B11R1.89 C[C@H]1CCCN1C(F)C(=O)N 2230a_100020605311_100009813875 [0,1,0,1,0,0|2,0,0]=4 6843 B11R1.89 C[C@H]1CCCN1C(F)C(=O)N 269982a_100020605311_100009813875 [0,1,0,1,0,0|2,0,0]=4 6844 B11R1.124 CC(=O)N1CCC(C1)CCO 240690a_100016987287_100015343762 [0,1,0,1,0,0|2,0,0]=4 6845 B11R1.124 CC(=O)N1CCC(C1)CCO 527a_100016987287_100103153847 [0,1,0,1,0,0|2,0,0]=4 6846 B11R1.124 CCCN1CCC(C1)C(=O)N 2230a_100000752358_100000210303 [0,1,0,1,0,0|1,0,0]=3 6847 B11R1.124 CCCN1CCC(C1)C(=O)N 269982a_100000752358_100000210303 [0,1,0,1,0,0|1,0,0]=3 6848 B11R1.124 CCCN1CCC(C1)C(=O)N 34a_100000752358_100000210303 [0,1,0,1,0,0|1,0,0]=3 6849 B11R1.124 CCNC1CCN(C1)C(=O)C 2230a_100000705975_100000210202 [0,1,0,1,0,0|2,0,0]=4 6850 B11R1.124 CCN[C@@H]1C=C[C@@H](C1)C(=O)O 269956a_100016988855_100000210202 [0,1,0,1,0,0|0,0,2]=4 6851 B11R1.124 CCN[C@H]1CC[C@H](C1)C(=O)O 269956a_100015195206_100000210202 [0,1,0,1,0,0|0,0,0]=2 6852 B11R1.124 CCO[C@H]1CCN(C1)C(=O)C 11a_100011787710_100015343762 [0,1,0,1,0,0|2,0,0]=4 6853 B11R1.124 CCO[C@H]1CCN(C1)C(=O)C 1626a_100011787710_100015343762 [0,1,0,1,0,0|2,0,0]=4 6854 B11R1.124 CCO[C@H]1CCN(C1)C(=O)C 240690a_100011787710_100015343762 [0,1,0,1,0,0|2,0,0]=4 6855 B11R1.124 CCO[C@H]1CCN(C1)C(=O)C 527a_100011787710_100103153847 [0,1,0,1,0,0|2,0,0]=4 6856 B11R1.124 CCO[C@H]1CCN(C1)C(=O)C 7a_100012000934_100000210202 [0,1,0,1,0,0|2,0,0]=4 6857 B11R1.124 COCC1CCN(C1)C(=O)C 11a_100025706693_100015343762 [0,1,0,1,0,0|2,0,0]=4 6858 B11R1.124 COCC1CCN(C1)C(=O)C 1626a_100025706693_100015343762 [0,1,0,1,0,0|2,0,0]=4 6859 B11R1.124 COCC1CCN(C1)C(=O)C 240690a_100025706693_100015343762 [0,1,0,1,0,0|2,0,0]=4 6860 B11R1.124 COCC1CCN(C1)C(=O)C 527a_100025706693_100103153847 [0,1,0,1,0,0|2,0,0]=4 6861 B11R1.124 COCN1CCC(C1)C(=O)N 2230a_100000752358_100000766300 [0,1,0,1,0,0|2,0,0]=4 6862 B11R1.124 COCN1CCC(C1)C(=O)N 269982a_100000752358_100000766300 [0,1,0,1,0,0|2,0,0]=4 6863 B11R1.124 CSCN1CCC(C1)C(=O)N 2230a_100000752358_100011218213 [0,1,0,1,0,0|2,0,0]=4 6864 B11R1.124 CSCN1CCC(C1)C(=O)N 269982a_100000752358_100011218213 [0,1,0,1,0,0|2,0,0]=4 6865 B11R1.124 CSCN1CCC(C1)C(=O)N 34a_100000752358_100011218213 [0,1,0,1,0,0|2,0,0]=4 6866 B11R1.124 NC(=O)C1CCN(C1)CCF 2230a_100000752358_100011217306 [0,1,0,1,0,0|2,0,0]=4 6867 B11R1.124 NC(=O)C1CCN(C1)CCF 269982a_100000752358_100011217306 [0,1,0,1,0,0|2,0,0]=4 6868 B11R1.124 NC(=O)C1CCN(C1)CCF 34a_100000752358_100011217306 [0,1,0,1,0,0|2,0,0]=4 6869 B11R1.124 NC(=O)C1CCN(C1)CCO 2230a_100000752358_100000211926 [0,1,0,1,0,0|2,0,0]=4 6870 B11R1.124 NC(=O)C1CCN(C1)CCO 269982a_100000752358_100000211926 [0,1,0,1,0,0|2,0,0]=4 6871 B11R1.124 NC(=O)C1CCN(C1)CCO 34a_100000752358_100000211926 [0,1,0,1,0,0|2,0,0]=4 6872 B11R1.124 O=C(O)[C@@H]1CC[C@@H](C1)NCF 269956a_100015195206_100015361967 [0,1,0,1,0,0|1,0,0]=3 6873 B11R1.153 CC(=O)C(C)NC1CC(C1)F 2230a_100016993743_100009814033 [0,1,0,1,0,0|2,0,0]=4 6874 B11R1.153 CC(=O)C(C)N[C@H]1C[C@@H](C1)O 2230a_100020629032_100009814033 [0,1,0,1,0,0|2,0,0]=4 6875 B11R1.153 CC(NC1CC(C1)F)C(=O)N 2230a_100016993743_100000702099 [0,1,0,1,0,0|2,0,0]=4 6876 B11R1.153 CC(N[C@H]1C[C@@H](C1)O)C(=O)N 2230a_100020629032_100000702099 [0,1,0,1,0,0|2,0,0]=4 6877 B11R1.153 C[C@H](NC1CC(=O)C1)C(=O)O 269956a_100000743915_100009894365 [0,1,0,1,0,0|1,0,1]=4 6878 B11R1.192 CCCN1CCC(C(C1)O)C 2230a_100000696640_100000210303 [0,1,0,1,0,0|1,0,1]=4 6879 B11R1.192 CCCN1CCC(C(C1)O)C 269982a_100000696640_100000210303 [0,1,0,1,0,0|1,0,1]=4 6880 B11R1.192 CCCN1CCN(C(=O)C1)C 2230a_100000187256_100000210303 [0,1,0,1,0,0|2,0,0]=4 6881 B11R1.192 CCCN1CCN(C(=O)C1)C 269982a_100000187256_100000210303 [0,1,0,1,0,0|2,0,0]=4 6882 B11R1.192 CCNC1CCN(C(=O)C1)C 2230a_100000126938_100000210202 [0,1,0,1,0,0|2,0,0]=4 6883 B11R1.192 CCNC1CCN(C(=O)C1)C 34a_100000126938_100000210202 [0,1,0,1,0,0|2,0,0]=4 6884 B11R1.291 CCCC(C)OC1CCC1=O 34a_100000764384_100009892977 [0,1,0,1,0,0|2,0,0]=4 6885 B11R1.291 CCCC(C)OC1CCC1=O 7a_100000764384_100009892977 [0,1,0,1,0,0|2,0,0]=4 6886 B11R1.291 CCCC(C)SC1CCC1=O 62a_100000766640_100009892977 [0,1,0,1,0,0|2,0,0]=4 6887 B11R1.291 CCCC(C)SC1CCC1=O 62a_100009892977_100000766640 [0,1,0,1,0,0|2,0,0]=4 6888 B11R1.497 CC(=O)N1CCCCC(C1)O 240690a_100025706797_100015343762 [0,1,0,1,0,0|2,0,0]=4 6889 B11R1.718 CC(=O)C(C)NC(C)C1CC1 2230a_100000700016_100009814033 [0,1,0,1,0,0|2,0,0]=4 6890 B11R1.718 CC(=O)C(C)OC(C)C1CC1 7a_100000744524_100000179758 [0,1,0,1,0,0|2,0,0]=4 6891 B11R1.718 CC(NC(C)C1CC1)C(=O)N 2230a_100000700016_100000702099 [0,1,0,1,0,0|2,0,0]=4 6892 B11R1.718 CC(NC(C)C1CC1)C(=O)N 34a_100000700016_100000702099 [0,1,0,1,0,0|2,0,0]=4 6893 B11R1.718 CC(OC(C)C1CC1)C(=O)N 34a_100000744524_100000702099 [0,1,0,1,0,0|2,0,0]=4 6894 B11R1.718 CC(OC(C)C1CC1)C(=O)N 7a_100000744524_100000702099 [0,1,0,1,0,0|2,0,0]=4 6895 B11R1.1112 CC(=O)C(C)NC1(CCC1)C 2230a_100000692455_100009814033 [0,1,0,1,0,0|2,0,0]=4 6896 B11R1.1112 CC(=O)C(C)OC1(CCC1)C 7a_100000759064_100000179758 [0,1,0,1,0,0|2,0,0]=4 6897 B11R1.1112 CC(NC1(CCC1)C)C(=O)N 2230a_100000692455_100000702099 [0,1,0,1,0,0|2,0,0]=4 6898 B11R1.1112 CC(NC1(CCC1)C)C(=O)N 34a_100000692455_100000702099 [0,1,0,1,0,0|2,0,0]=4 6899 B11R1.1112 CC(OC1(CCC1)C)C(=O)N 34a_100000759064_100000702099 [0,1,0,1,0,0|2,0,0]=4 6900 B11R1.1112 CC(OC1(CCC1)C)C(=O)N 7a_100000759064_100000702099 [0,1,0,1,0,0|2,0,0]=4 6901 B11R1.173 CC(=O)C(C)(C)N1CCCC1 269982a_100000188435_100000075568 [0,1,0,1,0,0|2,0,0]=4 6902 B11R1.173 CC(C)(C(=O)N)N1CCCC1 2230a_100000188435_100000702505 [0,1,0,1,0,0|2,0,0]=4 6903 B11R1.173 CC(C)(C(=O)N)N1CCCC1 269982a_100000188435_100000702505 [0,1,0,1,0,0|2,0,0]=4 6904 B11R1.647 CC(=O)C(C)(C)N1CCC1C 269982a_100000755817_100000075568 [0,1,0,1,0,0|2,0,0]=4 6905 B11R1.647 CC1CCN1C(C)(C)C(=O)N 269982a_100000755817_100000702505 [0,1,0,1,0,0|2,0,0]=4 6906 B11R1.647 CC1CCN1C(C)(C)C(=O)N 34a_100000755817_100000702505 [0,1,0,1,0,0|2,0,0]=4 6907 B11R1.715 CC(=O)C(C)(C)OC1CCC1 34a_100000747739_100000749161 [0,1,0,1,0,0|2,0,0]=4 6908 B11R1.715 CC(=O)C(C)(C)SC1CCC1 62a_100000075568_100000749161 [0,1,0,1,0,0|2,0,0]=4 6909 B11R1.715 CC(C)(CN1CCC1)C(=O)N 269982a_100000754969_200009895572 [0,1,0,1,0,0|2,0,0]=4 6910 B11R1.715 CC(C)(NC1CCC1)C(=O)N 2230a_100000749019_100000702505 [0,1,0,1,0,0|2,0,0]=4 6911 B11R1.715 CC(C)(NC1CCC1)C(=O)N 34a_100000743658_100000749161 [0,1,0,1,0,0|2,0,0]=4 6912 B11R1.715 CC(C)(NC1CCC1)C(=O)N 34a_100000749019_100000702505 [0,1,0,1,0,0|2,0,0]=4 6913 B11R1.715 CC(C)(OC1CCC1)C(=O)N 34a_100000748187_100000702505 [0,1,0,1,0,0|2,0,0]=4 6914 B11R1.715 CC(C)(OC1CCC1)C(=O)N 34a_100011626353_100000749161 [0,1,0,1,0,0|2,0,0]=4 6915 B11R1.715 CC(C)(SC1CCC1)C(=O)N 62a_100000702505_100000749161 [0,1,0,1,0,0|2,0,0]=4 6916 B11R1.716 CC(=O)C(C)(C)OCC1CC1 34a_100000747739_100000742324 [0,1,0,1,0,0|2,0,0]=4 6917 B11R1.716 CC(=O)C(C)(C)OCC1CC1 7a_100000747739_100000742324 [0,1,0,1,0,0|2,0,0]=4 6918 B11R1.716 CC(=O)C(C)(C)SCC1CC1 62a_100000075568_100000742324 [0,1,0,1,0,0|2,0,0]=4 6919 B11R1.716 CC(=O)C(C)(C)SCC1CC1 62a_100000756562_100000075568 [0,1,0,1,0,0|2,0,0]=4 6920 B11R1.716 CC(C)(CNC1CC1)C(=O)N 34a_100000212008_200009895572 [0,1,0,1,0,0|2,0,0]=4 6921 B11R1.716 CC(C)(CNC1CC1)C(=O)N 34a_100000740840_100000211595 [0,1,0,1,0,0|2,0,0]=4 6922 B11R1.716 CC(C)(CNC1CC1)C(=O)O 269956a_100000693527_100000211595 [0,1,0,1,0,0|1,0,0]=3 6923 B11R1.716 CC(C)(CSC1CC1)C(=O)N 62a_200009895572_100000211595 [0,1,0,1,0,0|2,0,0]=4 6924 B11R1.716 CC(C)(NCC1CC1)C(=O)N 2230a_100000735609_100000702505 [0,1,0,1,0,0|2,0,0]=4 6925 B11R1.716 CC(C)(NCC1CC1)C(=O)N 2230a_100000743658_100000742324 [0,1,0,1,0,0|2,0,0]=4 6926 B11R1.716 CC(C)(NCC1CC1)C(=O)N 34a_100000735609_100000702505 [0,1,0,1,0,0|2,0,0]=4 6927 B11R1.716 CC(C)(NCC1CC1)C(=O)N 34a_100000743658_100000742324 [0,1,0,1,0,0|2,0,0]=4 6928 B11R1.716 CC(C)(OCC1CC1)C(=O)N 34a_100000211283_100000702505 [0,1,0,1,0,0|2,0,0]=4 6929 B11R1.716 CC(C)(OCC1CC1)C(=O)N 34a_100011626353_100000742324 [0,1,0,1,0,0|2,0,0]=4 6930 B11R1.716 CC(C)(OCC1CC1)C(=O)N 7a_100011626353_100000742324 [0,1,0,1,0,0|2,0,0]=4 6931 B11R1.716 CC(C)(ONC1CC1)C(=O)O 269956a_100016989451_100000211595 [0,1,0,1,0,0|2,0,0]=4 6932 B11R1.716 CC(C)(SCC1CC1)C(=O)N 62a_100000702505_100000742324 [0,1,0,1,0,0|2,0,0]=4 6933 B11R1.716 CC(C)(SCC1CC1)C(=O)N 62a_100000756562_100000702505 [0,1,0,1,0,0|2,0,0]=4 6934 B11R1.716 O=C(O)C(F)(F)CNC1CC1 269956a_100000734215_100000211595 [0,1,0,1,0,0|2,0,0]=4 6935 B11R1.991 CCCCNC1(CC1)C(=O)N 2230a_100000687655_100000210211 [0,1,0,1,0,0|2,0,0]=4 6936 B11R1.991 CCCCNC1(CC1)C(=O)N 7a_106832991798_100010760883 [0,1,0,1,0,0|2,0,0]=4 6937 B11R1.991 CCCCNC1(CC1)C(=O)O 269956a_100000746478_100000210211 [0,1,0,1,0,0|1,0,0]=3 6938 B11R1.991 CCCCOC1(CC1)C(=O)N 34a_100000210227_100010760883 [0,1,0,1,0,0|2,0,0]=4 6939 B11R1.991 CCCCOC1(CC1)C(=O)N 7a_100000210227_100010760883 [0,1,0,1,0,0|2,0,0]=4 6940 B11R1.991 CCCCSC1(CC1)C(=O)C 62a_100000086384_100000210210 [0,1,0,1,0,0|2,0,0]=4 6941 B11R1.991 CCCCSC1(CC1)C(=O)C 62a_100000210211_100000086384 [0,1,0,1,0,0|2,0,0]=4 6942 B11R1.991 CCCCSC1(CC1)C(=O)N 62a_100000210211_100010760883 [0,1,0,1,0,0|2,0,0]=4 6943 B11R1.991 CCCCSC1(CC1)C(=O)N 62a_100010760883_100000210210 [0,1,0,1,0,0|2,0,0]=4 6944 B11R1.991 CCCNCC1(CC1)C(=O)O 269956a_100000703410_100000210207 [0,1,0,1,0,0|1,0,0]=3 6945 B11R1.991 CCCOCC1(CC1)C(=O)N 34a_100000117830_100000210303 [0,1,0,1,0,0|2,0,0]=4 6946 B11R1.991 CCCOCC1(CC1)C(=O)N 7a_100000117830_100000210303 [0,1,0,1,0,0|2,0,0]=4 6947 B11R1.991 CCNCCC1(CC1)C(=O)O 269956a_100000690630_100000210202 [0,1,0,1,0,0|1,0,0]=3 6948 B11R1.991 CCOCNC1(CC1)C(=O)O 269956a_100000746478_100000739092 [0,1,0,1,0,0|2,0,0]=4 6949 B11R1.991 COCCNC1(CC1)C(=O)O 269956a_100000746478_100000233755 [0,1,0,1,0,0|2,0,0]=4 6950 B11R1.991 COCNCC1(CC1)C(=O)O 269956a_100000703410_100000766300 [0,1,0,1,0,0|2,0,0]=4 6951 B11R1.991 CSCCNC1(CC1)C(=O)O 269956a_100000746478_100000212216 [0,1,0,1,0,0|2,0,0]=4 6952 B11R1.991 CSCNCC1(CC1)C(=O)O 269956a_100000703410_100011218213 [0,1,0,1,0,0|2,0,0]=4 6953 B11R1.991 O=C(O)C1(CC1)CCNCF 269956a_100000690630_100015361967 [0,1,0,1,0,0|2,0,0]=4 6954 B11R1.991 O=C(O)C1(CC1)CNCCF 269956a_100000703410_100011217306 [0,1,0,1,0,0|2,0,0]=4 6955 B11R1.991 O=C(O)C1(CC1)CNCCO 269956a_100000703410_100000211926 [0,1,0,1,0,0|2,0,0]=4 6956 B11R1.991 O=C(O)C1(CC1)NCCCF 269956a_100000746478_100011934791 [0,1,0,1,0,0|2,0,0]=4 6957 B11R1.991 O=C(O)C1(CC1)NCCCO 269956a_100000746478_100011215043 [0,1,0,1,0,0|2,0,0]=4 6958 B11R1.36 CC(=O)C(C)C1CCCCC1 1458a_100011435303_200000210301 [0,1,0,1,0,0|1,0,0]=3 6959 B11R1.36 CC(=O)C(C)N1CCCOC1 2230a_100000131196_100009814033 [0,1,0,1,0,0|2,0,0]=4 6960 B11R1.36 CC(=O)C(C)N1CCCOC1 269982a_100000131196_100009814033 [0,1,0,1,0,0|2,0,0]=4 6961 B11R1.36 CC(=O)C(C)N1CCOCC1 2230a_100015191051_100009814033 [0,1,0,1,0,0|2,0,0]=4 6962 B11R1.36 CC(=O)C(C)N1CCOCC1 269982a_100015191051_100009814033 [0,1,0,1,0,0|2,0,0]=4 6963 B11R1.36 CC(=O)C(C)N1CCSCC1 2230a_100000737611_100009814033 [0,1,0,1,0,0|2,0,0]=4 6964 B11R1.36 CC(=O)C(C)N1CCSCC1 269982a_100000737611_100009814033 [0,1,0,1,0,0|2,0,0]=4 6965 B11R1.36 CC(=O)C(O)C1CCCCC1 1458a_100000242593_200000210301 [0,1,0,1,0,0|2,0,0]=4 6966 B11R1.36 CC(=O)N(C)C1CCCCC1 11a_100000207522_100015343762 [0,1,0,1,0,0|2,0,0]=4 6967 B11R1.36 CC(=O)N(C)C1CCCCC1 1626a_100000207522_100015343762 [0,1,0,1,0,0|2,0,0]=4 6968 B11R1.36 CC(=O)N(C)C1CCCCC1 240690a_100000207522_100015343762 [0,1,0,1,0,0|2,0,0]=4 6969 B11R1.36 CC(=O)N(C)C1CCCCC1 527a_100000207522_100103153847 [0,1,0,1,0,0|2,0,0]=4 6970 B11R1.36 CC(=O)N(C)C1CCOCC1 11a_100020587155_100015343762 [0,1,0,1,0,0|2,0,0]=4 6971 B11R1.36 CC(=O)N(C)C1CCOCC1 1626a_100020587155_100015343762 [0,1,0,1,0,0|2,0,0]=4 6972 B11R1.36 CC(=O)N(C)C1CCOCC1 240690a_100020587155_100015343762 [0,1,0,1,0,0|2,0,0]=4 6973 B11R1.36 CC(=O)N(C)C1CCOCC1 527a_100020587155_100103153847 [0,1,0,1,0,0|2,0,0]=4 6974 B11R1.36 CC(=O)N(C)C1CCSCC1 11a_100015184757_100015343762 [0,1,0,1,0,0|2,0,0]=4 6975 B11R1.36 CC(=O)N(C)C1CCSCC1 240690a_100015184757_100015343762 [0,1,0,1,0,0|2,0,0]=4 6976 B11R1.36 CC(=O)N(C)C1CCSCC1 527a_100015184757_100103153847 [0,1,0,1,0,0|2,0,0]=4 6977 B11R1.36 CC(=O)[C@H](C)N1CCOCC1 1458a_100000729938_200000210301 [0,1,0,1,0,0|2,0,0]=4 6978 B11R1.36 CC(C(=O)N)N1CCCOC1 2230a_100000131196_100000702099 [0,1,0,1,0,0|2,0,0]=4 6979 B11R1.36 CC(C(=O)N)N1CCCOC1 269982a_100000131196_100000184083 [0,1,0,1,0,0|2,0,0]=4 6980 B11R1.36 CC(C(=O)N)N1CCCOC1 34a_100000131196_100000702099 [0,1,0,1,0,0|2,0,0]=4 6981 B11R1.36 CC(C(=O)N)N1CCOCC1 2230a_100015191051_100000702099 [0,1,0,1,0,0|2,0,0]=4 6982 B11R1.36 CC(C(=O)N)N1CCOCC1 269982a_100015191051_100000184083 [0,1,0,1,0,0|2,0,0]=4 6983 B11R1.36 CC(C(=O)N)N1CCOCC1 34a_100015191051_100000702099 [0,1,0,1,0,0|2,0,0]=4 6984 B11R1.36 CC(C(=O)N)N1CCSCC1 2230a_100000737611_100000702099 [0,1,0,1,0,0|2,0,0]=4 6985 B11R1.36 CC(C(=O)N)N1CCSCC1 269982a_100000737611_100000184083 [0,1,0,1,0,0|2,0,0]=4 6986 B11R1.36 CC(C(=O)[13CH3])C1CCCCC1 1458a_100011435303_200025704644 [0,1,0,1,0,0|1,0,0]=3 6987 B11R1.36 C[C@@H](C(=O)[13CH3])N1CCOCC1 1458a_100000729938_200025704644 [0,1,0,1,0,0|2,0,0]=4 6988 B11R1.36 [13CH3]C(=O)C(O)C1CCCCC1 1458a_100000242593_200025704644 [0,1,0,1,0,0|2,0,0]=4 6989 B11R1.104 CC(=O)C(C)OCC1CC1C 7a_100000744939_100000179758 [0,1,0,1,0,0|1,0,0]=3 6990 B11R1.104 CC(OCC1CC1C)C(=O)N 34a_100000744939_100000702099 [0,1,0,1,0,0|1,0,0]=3 6991 B11R1.104 CC(OCC1CC1C)C(=O)N 7a_100000744939_100000702099 [0,1,0,1,0,0|1,0,0]=3 6992 B11R1.104 CC1CC1COC(F)C(=O)N 34a_100000744939_100009813875 [0,1,0,1,0,0|2,0,0]=4 6993 B11R1.104 CC1CC1COC(F)C(=O)N 7a_100000744939_100009813875 [0,1,0,1,0,0|2,0,0]=4 6994 B11R1.104 CC1CC1COC(F)C(=O)[O-] 34a_100000744939_100020610796 [0,1,0,1,0,0|1,0,1]=4 6995 B11R1.142 C[C@H](NC1CCC1=O)C(=O)O 269956a_100000743915_100009892977 [0,1,0,1,0,0|1,0,1]=4 6996 B11R1.190 CCCCCOC1CCC1=O 34a_100000210253_100009892977 [0,1,0,1,0,0|1,0,0]=3 6997 B11R1.190 CCCCCOC1CCC1=O 7a_100000210253_100009892977 [0,1,0,1,0,0|1,0,0]=3 6998 B11R1.190 CCCCCSC1CCC1=O 62a_100000210326_100009892977 [0,1,0,1,0,0|1,0,0]=3 6999 B11R1.190 CCCCCSC1CCC1=O 62a_100009892977_100000210326 [0,1,0,1,0,0|1,0,0]=3 7000 B11R1.190 CCCSCCC1CCC1=O 62a_100000210303_200016118888 [0,1,0,1,0,0|1,0,0]=3 7001 B11R1.190 CCCSCCC1CCC1=O 62a_200016118888_100000210303 [0,1,0,1,0,0|1,0,0]=3 7002 B11R1.190 CCOCCNC1CCC1=O 34a_102516460346_100009892977 [0,1,0,1,0,0|2,0,0]=4 7003 B11R1.190 CCOCCOC1CCC1=O 34a_100000210136_100009892977 [0,1,0,1,0,0|2,0,0]=4 7004 B11R1.190 CCOCCOC1CCC1=O 7a_100000210136_100009892977 [0,1,0,1,0,0|2,0,0]=4 7005 B11R1.190 CCOCCSC1CCC1=O 62a_100000210147_100009892977 [0,1,0,1,0,0|2,0,0]=4 7006 B11R1.190 CCOCCSC1CCC1=O 62a_100009892977_100011215890 [0,1,0,1,0,0|2,0,0]=4 7007 B11R1.190 CCSCCOC1CCC1=O 34a_100000212035_100009892977 [0,1,0,1,0,0|2,0,0]=4 7008 B11R1.190 CCSCCOC1CCC1=O 7a_100000212035_100009892977 [0,1,0,1,0,0|2,0,0]=4 7009 B11R1.190 CCSCCSC1CCC1=O 62a_100000757381_100009892977 [0,1,0,1,0,0|2,0,0]=4 7010 B11R1.190 CCSCCSC1CCC1=O 62a_100009892977_100000757381 [0,1,0,1,0,0|2,0,0]=4 7011 B11R1.190 CNCCCOC1CCC1=O 34a_100000213112_100009892977 [0,1,0,1,0,0|2,0,0]=4 7012 B11R1.190 COCCCNC1CCC1=O 34a_100150723488_100009892977 [0,1,0,1,0,0|2,0,0]=4 7013 B11R1.190 COCCCOC1CCC1=O 34a_100000740835_100009892977 [0,1,0,1,0,0|2,0,0]=4 7014 B11R1.190 COCCCSC1CCC1=O 62a_100000709357_100009892977 [0,1,0,1,0,0|2,0,0]=4 7015 B11R1.190 COCCCSC1CCC1=O 62a_100009892977_100000709357 [0,1,0,1,0,0|2,0,0]=4 7016 B11R1.190 COCSCCC1CCC1=O 62a_100000766300_200016118888 [0,1,0,1,0,0|2,0,0]=4 7017 B11R1.190 COCSCCC1CCC1=O 62a_200016118888_100000766300 [0,1,0,1,0,0|2,0,0]=4 7018 B11R1.190 CSCCCOC1CCC1=O 34a_100000690336_100009892977 [0,1,0,1,0,0|2,0,0]=4 7019 B11R1.190 CSCCCOC1CCC1=O 7a_100000690336_100009892977 [0,1,0,1,0,0|2,0,0]=4 7020 B11R1.190 CSCSCCC1CCC1=O 62a_100011218213_200016118888 [0,1,0,1,0,0|2,0,0]=4 7021 B11R1.190 CSCSCCC1CCC1=O 62a_200016118888_100011218213 [0,1,0,1,0,0|2,0,0]=4 7022 B11R1.190 NCCCCOC1CCC1=O 34a_100000750430_100009892977 [0,1,0,1,0,0|2,0,0]=4 7023 B11R1.190 O=C1CCC1CCNCCO 2230a_100016997473_200016118888 [0,1,0,1,0,0|2,0,0]=4 7024 B11R1.190 O=C1CCC1CCSCCF 62a_100011217306_200016118888 [0,1,0,1,0,0|2,0,0]=4 7025 B11R1.190 O=C1CCC1CCSCCF 62a_200016118888_100011217306 [0,1,0,1,0,0|2,0,0]=4 7026 B11R1.190 O=C1CCC1CCSCCO 62a_100000211926_200016118888 [0,1,0,1,0,0|2,0,0]=4 7027 B11R1.190 O=C1CCC1CCSCCO 62a_200016118888_100000211926 [0,1,0,1,0,0|2,0,0]=4 7028 B11R1.190 O=C1CCC1NCCCCO 34a_100000750430_100009892977 [0,1,0,1,0,0|2,0,0]=4 7029 B11R1.190 O=C1CCC1OCCCCBr 34a_100011216708_100009892977 [0,1,0,1,0,0|2,0,0]=4 7030 B11R1.190 O=C1CCC1OCCCCCl 34a_100000210776_100009892977 [0,1,0,1,0,0|2,0,0]=4 7031 B11R1.190 O=C1CCC1OCCCCCl 7a_100000210776_100009892977 [0,1,0,1,0,0|2,0,0]=4 7032 B11R1.190 O=C1CCC1OCCCCF 34a_100011995726_100009892977 [0,1,0,1,0,0|2,0,0]=4 7033 B11R1.190 O=C1CCC1OCCCCF 7a_100011995726_100009892977 [0,1,0,1,0,0|2,0,0]=4 7034 B11R1.190 O=C1CCC1OCCCCI 34a_200012148704_100009892977 [0,1,0,1,0,0|2,0,0]=4 7035 B11R1.190 O=C1CCC1SCCCCF 62a_100000729493_100009892977 [0,1,0,1,0,0|2,0,0]=4 7036 B11R1.190 O=C1CCC1SCCCCF 62a_100009892977_100000729493 [0,1,0,1,0,0|2,0,0]=4 7037 B11R1.190 O=C1CCC1SCCCCO 62a_100000210776_100009892977 [0,1,0,1,0,0|2,0,0]=4 7038 B11R1.190 O=C1CCC1SCCCCO 62a_100009892977_100000210776 [0,1,0,1,0,0|2,0,0]=4 7039 B11R1.211 C#CCN[C@H]1C[C@H](C1)C(=O)O 269956a_100000738708_100000184674 [0,1,0,1,0,0|0,0,2]=4 7040 B11R1.211 C=CCN[C@H]1C[C@H](C1)C(=O)O 269956a_100000738708_100000210623 [0,1,0,1,0,0|0,0,2]=4 7041 B11R1.211 CCCCN1CC(C1)C(=O)N 34a_100025753142_100000210210 [0,1,0,1,0,0|1,0,0]=3 7042 B11R1.211 CCCNC1CN(C1)C(=O)C 2230a_100102955437_100000210303 [0,1,0,1,0,0|2,0,0]=4 7043 B11R1.211 CCCN[C@H]1C[C@H](C1)C(=O)O 269956a_100000738708_100000210207 [0,1,0,1,0,0|0,0,0]=2 7044 B11R1.211 CCCOC1CN(C1)C(=O)C 11a_200020626125_100015343762 [0,1,0,1,0,0|2,0,0]=4 7045 B11R1.211 CCCOC1CN(C1)C(=O)C 1626a_200020626125_100015343762 [0,1,0,1,0,0|2,0,0]=4 7046 B11R1.211 CCCOC1CN(C1)C(=O)C 240690a_200020626125_100015343762 [0,1,0,1,0,0|2,0,0]=4 7047 B11R1.211 CCCOC1CN(C1)C(=O)C 527a_200020626125_100103153847 [0,1,0,1,0,0|2,0,0]=4 7048 B11R1.211 COCCN1CC(C1)C(=O)N 34a_100025753142_100011201679 [0,1,0,1,0,0|2,0,0]=4 7049 B11R1.211 COCN[C@H]1C[C@H](C1)C(=O)O 269956a_100000738708_100000766300 [0,1,0,1,0,0|1,0,0]=3 7050 B11R1.211 CSCCN1CC(C1)C(=O)N 34a_100025753142_100000212216 [0,1,0,1,0,0|2,0,0]=4 7051 B11R1.211 CSCN[C@H]1C[C@H](C1)C(=O)O 269956a_100000738708_100011218213 [0,1,0,1,0,0|1,0,0]=3 7052 B11R1.211 N#CCN[C@H]1C[C@H](C1)C(=O)O 269956a_100000738708_100011215382 [0,1,0,1,0,0|1,0,1]=4 7053 B11R1.211 NC(=O)C1CN(C1)CCCF 34a_100025753142_100011934791 [0,1,0,1,0,0|2,0,0]=4 7054 B11R1.211 NC(=O)C1CN(C1)CCCO 34a_100025753142_100000230001 [0,1,0,1,0,0|2,0,0]=4 7055 B11R1.211 O=C(O)[C@H]1C[C@H](C1)NCCF 269956a_100000738708_100011217306 [0,1,0,1,0,0|1,0,0]=3 7056 B11R1.211 O=C(O)[C@H]1C[C@H](C1)NCCO 269956a_100000738708_100000211926 [0,1,0,1,0,0|1,0,0]=3 7057 B11R1.211 O=CCN[C@H]1C[C@H](C1)C(=O)O 269956a_100000738708_200015260668 [0,1,0,1,0,0|1,0,1]=4 7058 B11R1.231 CCCCN1C[C@H]([C@H](C1)O)C 2230a_200015306588_100000210211 [0,1,0,1,0,0|1,0,1]=4 7059 B11R1.231 CCCCN1C[C@H]([C@H](C1)O)C 269982a_200015306588_100000210211 [0,1,0,1,0,0|1,0,1]=4 7060 B11R1.231 CCCNC1CC(=O)N(C1)C 2230a_100000748898_100000210303 [0,1,0,1,0,0|2,0,0]=4 7061 B11R1.231 CCCNC1CC(=O)N(C1)C 34a_100000748898_100000210303 [0,1,0,1,0,0|2,0,0]=4 7062 B11R1.231 CCCSC1C=C(C(=O)O1)C 62a_100000210303_200009893386 [0,1,0,1,0,0|0,0,2]=4 7063 B11R1.231 CCCSC1C=C(C(=O)O1)C 62a_200009893386_100000210303 [0,1,0,1,0,0|0,0,2]=4 7064 B11R1.231 CCOCC1CC(=O)N(C1)C 34a_100015185614_100000210202 [0,1,0,1,0,0|2,0,0]=4 7065 B11R1.266 CC(=O)N1CCCC(C1)CF 11a_100016992999_100015343762 [0,1,0,1,0,0|2,0,0]=4 7066 B11R1.266 CC(=O)N1CCCC(C1)CF 1626a_100016992999_100015343762 [0,1,0,1,0,0|2,0,0]=4 7067 B11R1.266 CC(=O)N1CCCC(C1)CF 240690a_100016992999_100015343762 [0,1,0,1,0,0|2,0,0]=4 7068 B11R1.266 CC(=O)N1CCCC(C1)CF 527a_100016992999_100103153847 [0,1,0,1,0,0|2,0,0]=4 7069 B11R1.266 CC(=O)N1CCCC(C1)CO 240690a_100000211344_100015343762 [0,1,0,1,0,0|2,0,0]=4 7070 B11R1.266 CC(=O)N1CCCC(C1)CO 527a_100000211344_100103153847 [0,1,0,1,0,0|2,0,0]=4 7071 B11R1.266 CC(=O)N1CCCC(C1)O[13CH3] 7a_200011196156_200025704644 [0,1,0,1,0,0|2,0,0]=4 7072 B11R1.266 CCC1CN(CCO1)C(=O)C 11a_100000736320_100015343762 [0,1,0,1,0,0|2,0,0]=4 7073 B11R1.266 CCC1CN(CCO1)C(=O)C 1626a_100000736320_100015343762 [0,1,0,1,0,0|2,0,0]=4 7074 B11R1.266 CCC1CN(CCO1)C(=O)C 240690a_100000736320_100015343762 [0,1,0,1,0,0|2,0,0]=4 7075 B11R1.266 CCC1CN(CCO1)C(=O)C 527a_100000736320_100103153847 [0,1,0,1,0,0|2,0,0]=4 7076 B11R1.266 CCN1CCCC(C1)C(=O)C 1458a_100000743261_200000210301 [0,1,0,1,0,0|1,0,0]=3 7077 B11R1.266 CCN1CCCC(C1)C(=O)N 2230a_100000195536_100000210202 [0,1,0,1,0,0|1,0,0]=3 7078 B11R1.266 CCN1CCCC(C1)C(=O)N 269982a_100000195536_100000204670 [0,1,0,1,0,0|1,0,0]=3 7079 B11R1.266 CCN1CCCC(C1)C(=O)N 34a_100000195536_100000210202 [0,1,0,1,0,0|1,0,0]=3 7080 B11R1.266 CCN1CCCC(C1)C(=O)[13CH3] 1458a_100000743261_200025704644 [0,1,0,1,0,0|1,0,0]=3 7081 B11R1.266 CCN1CCCC(C1)C(C)O 2230a_100000740858_100000210202 [0,1,0,1,0,0|1,0,1]=4 7082 B11R1.266 CCN1CCCC(C1)C(C)O 269982a_100000740858_100000204670 [0,1,0,1,0,0|1,0,1]=4 7083 B11R1.266 CCN1CCCC(C1)C(C)O 34a_100000740858_100000210202 [0,1,0,1,0,0|1,0,1]=4 7084 B11R1.266 CCN1CCOC(C1)C(=O)N 2230a_100000748043_100000210202 [0,1,0,1,0,0|2,0,0]=4 7085 B11R1.266 CCN1CCOC(C1)C(=O)N 34a_100000748043_100000210202 [0,1,0,1,0,0|2,0,0]=4 7086 B11R1.266 CNC1CCCC(C1)C(=O)N 2230a_100000749473_200000210301 [0,1,0,1,0,0|1,0,0]=3 7087 B11R1.266 CNC1CCCC(C1)C(=O)N 34a_100000749473_200000210301 [0,1,0,1,0,0|1,0,0]=3 7088 B11R1.266 CNC1CCCC(C1)C(=O)O 269956a_100011216634_200000210301 [0,1,0,1,0,0|0,0,0]=2 7089 B11R1.266 COC1CCCC(C1)C(=O)C 1458a_100011215561_200000210301 [0,1,0,1,0,0|1,0,0]=3 7090 B11R1.266 COC1CCCC(C1)C(=O)[13CH3] 1458a_100011215561_200025704644 [0,1,0,1,0,0|1,0,0]=3 7091 B11R1.266 COC1CCCN(C1)C(=O)C 11a_100000695604_100015343762 [0,1,0,1,0,0|2,0,0]=4 7092 B11R1.266 COC1CCCN(C1)C(=O)C 1626a_100000695604_100015343762 [0,1,0,1,0,0|2,0,0]=4 7093 B11R1.266 COC1CCCN(C1)C(=O)C 240690a_100000695604_100015343762 [0,1,0,1,0,0|2,0,0]=4 7094 B11R1.266 COC1CCCN(C1)C(=O)C 527a_100000695604_100103153847 [0,1,0,1,0,0|2,0,0]=4 7095 B11R1.266 COC1CCCN(C1)C(=O)C 7a_200011196156_200000210301 [0,1,0,1,0,0|2,0,0]=4 7096 B11R1.266 NC(=O)C1CCCN(C1)CF 269982a_100000195536_100015361967 [0,1,0,1,0,0|2,0,0]=4 7097 B11R1.266 NC(=O)C1CCCN(C1)CF 34a_100000195536_100015361967 [0,1,0,1,0,0|2,0,0]=4 7098 B11R1.266 [13CH3]NC1CCCC(C1)C(=O)N 2230a_100000749473_200025704644 [0,1,0,1,0,0|1,0,0]=3 7099 B11R1.266 [13CH3]NC1CCCC(C1)C(=O)N 34a_100000749473_200025704644 [0,1,0,1,0,0|1,0,0]=3 7100 B11R1.266 [13CH3]NC1CCCC(C1)C(=O)O 269956a_100011216634_200025704644 [0,1,0,1,0,0|0,0,0]=2 7101 B11R1.332 C=C(C)C(C)NCC1CCC1 269862a_100000738700_100011216138 [0,1,0,1,0,0|2,0,0]=4 7102 B11R1.332 CC(=O)C(C)COC1CCC1 34a_100000032740_100000749161 [0,1,0,1,0,0|1,0,0]=3 7103 B11R1.332 CC(=O)C(C)COC1COC1 34a_100000032740_100009818527 [0,1,0,1,0,0|2,0,0]=4 7104 B11R1.332 CC(=O)C(C)COC1COC1 7a_100000032740_100009818527 [0,1,0,1,0,0|2,0,0]=4 7105 B11R1.332 CC(=O)C(C)NCC1CCC1 2230a_100000738700_100009814033 [0,1,0,1,0,0|1,0,0]=3 7106 B11R1.332 CC(=O)C(C)NCC1COC1 2230a_100015281925_100009814033 [0,1,0,1,0,0|2,0,0]=4 7107 B11R1.332 CC(=O)C(C)NC[C@@H]1CCO1 2230a_100020831831_100009814033 [0,1,0,1,0,0|2,0,0]=4 7108 B11R1.332 CC(=O)C(C)OCC1CCC1 34a_100000212229_100000763275 [0,1,0,1,0,0|1,0,0]=3 7109 B11R1.332 CC(=O)C(C)OCC1CCO1 34a_100000212229_100000103362 [0,1,0,1,0,0|2,0,0]=4 7110 B11R1.332 CC(=O)C(C)OCC1COC1 34a_100000212229_100010264016 [0,1,0,1,0,0|2,0,0]=4 7111 B11R1.332 CC(=O)C(C)SCC1CCC1 62a_100000763275_100009814033 [0,1,0,1,0,0|1,0,0]=3 7112 B11R1.332 CC(=O)C(C)SCC1CCC1 62a_100009814033_100000763275 [0,1,0,1,0,0|1,0,0]=3 7113 B11R1.332 CC(=O)C(C)SCC1CCO1 62a_100000103362_100009814033 [0,1,0,1,0,0|2,0,0]=4 7114 B11R1.332 CC(=O)C(C)SCC1CCO1 62a_100009814033_100000103362 [0,1,0,1,0,0|2,0,0]=4 7115 B11R1.332 CC(=O)C(C)SCC1COC1 62a_100009814033_100010264016 [0,1,0,1,0,0|2,0,0]=4 7116 B11R1.332 CC(=O)C(C)SCC1COC1 62a_100010264016_100009814033 [0,1,0,1,0,0|2,0,0]=4 7117 B11R1.332 CC(CNC1CCC1)C(=O)O 269956a_100000749485_100000749161 [0,1,0,1,0,0|0,0,0]=2 7118 B11R1.332 CC(CNC1COC1)C(=O)O 269956a_100000749485_100009818527 [0,1,0,1,0,0|1,0,0]=3 7119 B11R1.332 CC(COC1CCC1)[N+](=O)[O-] 34a_100000039676_100000749161 [0,1,0,1,0,0|1,0,1]=4 7120 B11R1.332 CC(NCC1CCC1)C(=O)N 2230a_100000738700_100000702099 [0,1,0,1,0,0|1,0,0]=3 7121 B11R1.332 CC(NCC1CCC1)C(=O)N 34a_100000738700_100000702099 [0,1,0,1,0,0|1,0,0]=3 7122 B11R1.332 CC(NCC1COC1)C(=O)N 2230a_100015281925_100000702099 [0,1,0,1,0,0|2,0,0]=4 7123 B11R1.332 CC(NCC1COC1)C(=O)N 34a_100015281925_100000702099 [0,1,0,1,0,0|2,0,0]=4 7124 B11R1.332 CC(NC[C@@H]1CCO1)C(=O)N 2230a_100020831831_100000702099 [0,1,0,1,0,0|2,0,0]=4 7125 B11R1.332 CC(NC[C@@H]1CCO1)C(=O)N 34a_100020831831_100000702099 [0,1,0,1,0,0|2,0,0]=4 7126 B11R1.332 CC(OCC1CCC1)C(=O)N 34a_100000760304_100000702099 [0,1,0,1,0,0|1,0,0]=3 7127 B11R1.332 CC(OCC1CCO1)C(=O)N 34a_100000039022_100000702099 [0,1,0,1,0,0|2,0,0]=4 7128 B11R1.332 CC(OCC1CNC1)C(=O)N 34a_100016987283_100000702099 [0,1,0,1,0,0|2,0,0]=4 7129 B11R1.332 CC(OCC1COC1)C(=O)N 34a_100000060846_100000702099 [0,1,0,1,0,0|2,0,0]=4 7130 B11R1.332 CC(SCC1CCC1)C(=O)N 62a_100000702099_100000763275 [0,1,0,1,0,0|1,0,0]=3 7131 B11R1.332 CC(SCC1CCC1)C(=O)N 62a_100000763275_100000702099 [0,1,0,1,0,0|1,0,0]=3 7132 B11R1.332 CC(SCC1CCO1)C(=O)N 62a_100000103362_100000702099 [0,1,0,1,0,0|2,0,0]=4 7133 B11R1.332 CC(SCC1CCO1)C(=O)N 62a_100000702099_100000103362 [0,1,0,1,0,0|2,0,0]=4 7134 B11R1.332 CC(SCC1COC1)C(=O)N 62a_100000702099_100010264016 [0,1,0,1,0,0|2,0,0]=4 7135 B11R1.332 CC(SCC1COC1)C(=O)N 62a_100010264016_100000702099 [0,1,0,1,0,0|2,0,0]=4 7136 B11R1.332 C[C@@H](NCC1CCC1)C(=O)N 2230a_100000119354_100000763275 [0,1,0,1,0,0|1,0,0]=3 7137 B11R1.332 C[C@@H](NCC1CCC1)C(=O)N 34a_100000119354_100000763275 [0,1,0,1,0,0|1,0,0]=3 7138 B11R1.332 C[C@@H](NCC1CCO1)C(=O)N 2230a_100000119354_100000103362 [0,1,0,1,0,0|2,0,0]=4 7139 B11R1.332 C[C@@H](NCC1CCO1)C(=O)N 34a_100000119354_100000103362 [0,1,0,1,0,0|2,0,0]=4 7140 B11R1.332 C[C@@H](NCC1COC1)C(=O)N 2230a_100000119354_100010264016 [0,1,0,1,0,0|2,0,0]=4 7141 B11R1.332 C[C@@H](NCC1COC1)C(=O)N 34a_100000119354_100010264016 [0,1,0,1,0,0|2,0,0]=4 7142 B11R1.332 C[C@@H](OCC1CCC1)C(=O)N 34a_100000731257_100000763275 [0,1,0,1,0,0|1,0,0]=3 7143 B11R1.332 C[C@@H](OCC1CCC1)C(=O)N 7a_100000731257_100000763275 [0,1,0,1,0,0|1,0,0]=3 7144 B11R1.332 C[C@@H](OCC1CCO1)C(=O)N 34a_100000731257_100000103362 [0,1,0,1,0,0|2,0,0]=4 7145 B11R1.332 C[C@@H](OCC1CCO1)C(=O)N 7a_100000731257_100000103362 [0,1,0,1,0,0|2,0,0]=4 7146 B11R1.332 C[C@@H](OCC1COC1)C(=O)N 34a_100000731257_100010264016 [0,1,0,1,0,0|2,0,0]=4 7147 B11R1.332 C[C@@H](OCC1COC1)C(=O)N 7a_100000731257_100010264016 [0,1,0,1,0,0|2,0,0]=4 7148 B11R1.332 C[C@H](NCC1CCC1)C(=O)O 269956a_100000743915_100000763275 [0,1,0,1,0,0|0,0,0]=2 7149 B11R1.332 C[C@H](NCC1CCO1)C(=O)O 269956a_100000743915_100000103362 [0,1,0,1,0,0|1,0,0]=3 7150 B11R1.332 C[C@H](NCC1COC1)C(=O)O 269956a_100000743915_100010264016 [0,1,0,1,0,0|1,0,0]=3 7151 B11R1.332 C[C@H](OCC1CCC1)C(=O)[O-] 7a_217856618621_100000763275 [0,1,0,1,0,0|0,0,1]=3 7152 B11R1.332 C[C@H](OCC1CCO1)C(=O)[O-] 7a_217856618621_100000103362 [0,1,0,1,0,0|1,0,1]=4 7153 B11R1.332 C[C@H](OCC1COC1)C(=O)[O-] 7a_217856618621_100010264016 [0,1,0,1,0,0|1,0,1]=4 7154 B11R1.332 NC(=O)C(F)NCC1CCC1 2230a_100000738700_100009813875 [0,1,0,1,0,0|2,0,0]=4 7155 B11R1.332 NC(=O)C(F)NCC1CCC1 34a_100000738700_100009813875 [0,1,0,1,0,0|2,0,0]=4 7156 B11R1.332 NC(=O)C(F)OCC1CCC1 34a_100000760304_100009813875 [0,1,0,1,0,0|2,0,0]=4 7157 B11R1.332 NC(=O)C(F)SCC1CCC1 62a_100000763275_100009813875 [0,1,0,1,0,0|2,0,0]=4 7158 B11R1.332 NC(=O)C(F)SCC1CCC1 62a_100009813875_100000763275 [0,1,0,1,0,0|2,0,0]=4 7159 B11R1.332 NC(=O)[C@@H](N)COC1CCC1 34a_100000729942_100000749161 [0,1,0,1,0,0|2,0,0]=4 7160 B11R1.332 O=C(O)C(F)CNC1CCC1 269956a_100000084737_100000749161 [0,1,0,1,0,0|1,0,0]=3 7161 B11R1.332 O=C(O)C(F)CNC1COC1 269956a_100000084737_100009818527 [0,1,0,1,0,0|2,0,0]=4 7162 B11R1.332 O=C([O-])C(F)NCC1CCC1 34a_100000738700_100020610796 [0,1,0,1,0,0|1,0,1]=4 7163 B11R1.332 O=C([O-])C(F)OCC1CCC1 34a_100000760304_100020610796 [0,1,0,1,0,0|1,0,1]=4 7164 B11R1.332 O=C([O-])C(F)SCC1CCC1 62a_100000763275_100020610796 [0,1,0,1,0,0|1,0,1]=4 7165 B11R1.332 O=C([O-])C(F)SCC1CCC1 62a_100020610796_100000763275 [0,1,0,1,0,0|1,0,1]=4 7166 B11R1.333 C=C(C)C(C)NCCC1CC1 269862a_100000764129_100011216138 [0,1,0,1,0,0|2,0,0]=4 7167 B11R1.333 CC(=O)C(C)COCC1CC1 34a_100000032740_100000742324 [0,1,0,1,0,0|1,0,0]=3 7168 B11R1.333 CC(=O)C(C)COCC1CC1 7a_100000032740_100000742324 [0,1,0,1,0,0|1,0,0]=3 7169 B11R1.333 CC(=O)C(C)COCC1CO1 34a_100000032740_102125554688 [0,1,0,1,0,0|2,0,0]=4 7170 B11R1.333 CC(=O)C(C)COCC1CO1 7a_100000032740_102125554688 [0,1,0,1,0,0|2,0,0]=4 7171 B11R1.333 CC(=O)C(C)COCC1CS1 7a_100000032740_100000031435 [0,1,0,1,0,0|2,0,0]=4 7172 B11R1.333 CC(=O)C(C)COC[C@@H]1CO1 7a_100000032740_100000745022 [0,1,0,1,0,0|2,0,0]=4 7173 B11R1.333 CC(=O)C(C)OCCC1CC1 34a_100000212229_100000694398 [0,1,0,1,0,0|1,0,0]=3 7174 B11R1.333 CC(=O)C(C)OCCC1CC1 7a_100000754188_100000179758 [0,1,0,1,0,0|1,0,0]=3 7175 B11R1.333 CC(=O)C(C)OCCC1CO1 34a_100000212229_100000732470 [0,1,0,1,0,0|2,0,0]=4 7176 B11R1.333 CC(=O)C(C)SCCC1CC1 62a_100000764125_100009814033 [0,1,0,1,0,0|1,0,0]=3 7177 B11R1.333 CC(=O)C(C)SCCC1CC1 62a_100009814033_100000764125 [0,1,0,1,0,0|1,0,0]=3 7178 B11R1.333 CC(=O)C(C)SCCC1CO1 62a_100000732470_100009814033 [0,1,0,1,0,0|2,0,0]=4 7179 B11R1.333 CC(=O)C(C)SCCC1CO1 62a_100009814033_100000732470 [0,1,0,1,0,0|2,0,0]=4 7180 B11R1.333 CC(CNCC1CC1)C(=O)O 269956a_100000749485_100000742324 [0,1,0,1,0,0|0,0,0]=2 7181 B11R1.333 CC(CNCC1CO1)C(=O)O 269956a_100000749485_102125554688 [0,1,0,1,0,0|1,0,0]=3 7182 B11R1.333 CC(CNCC1CS1)C(=O)O 269956a_100000749485_100000031435 [0,1,0,1,0,0|1,0,0]=3 7183 B11R1.333 CC(CNC[C@@H]1CO1)C(=O)O 269956a_100000749485_100000745022 [0,1,0,1,0,0|1,0,0]=3 7184 B11R1.333 CC(COCC1CC1)[N+](=O)[O-] 34a_100000039676_100000742324 [0,1,0,1,0,0|1,0,1]=4 7185 B11R1.333 CC(COCC1CC1)[N+](=O)[O-] 7a_100000039676_100000742324 [0,1,0,1,0,0|1,0,1]=4 7186 B11R1.333 CC(NCCC1CC1)C(=O)N 34a_100000764129_100000702099 [0,1,0,1,0,0|1,0,0]=3 7187 B11R1.333 CC(OCCC1CC1)C(=O)N 34a_100000754188_100000702099 [0,1,0,1,0,0|1,0,0]=3 7188 B11R1.333 CC(OCCC1CC1)C(=O)N 7a_100000754188_100000702099 [0,1,0,1,0,0|1,0,0]=3 7189 B11R1.333 CC(OCC[C@@H]1CO1)C(=O)N 34a_100009820653_100000702099 [0,1,0,1,0,0|2,0,0]=4 7190 B11R1.333 CC(SCCC1CC1)C(=O)N 62a_100000702099_100000764125 [0,1,0,1,0,0|1,0,0]=3 7191 B11R1.333 CC(SCCC1CC1)C(=O)N 62a_100000764125_100000702099 [0,1,0,1,0,0|1,0,0]=3 7192 B11R1.333 CC(SCCC1CO1)C(=O)N 62a_100000702099_100000732470 [0,1,0,1,0,0|2,0,0]=4 7193 B11R1.333 CC(SCCC1CO1)C(=O)N 62a_100000732470_100000702099 [0,1,0,1,0,0|2,0,0]=4 7194 B11R1.333 C[C@@H](NCCC1CC1)C(=O)N 2230a_100000119354_100000694398 [0,1,0,1,0,0|1,0,0]=3 7195 B11R1.333 C[C@@H](NCCC1CC1)C(=O)N 34a_100000119354_100000694398 [0,1,0,1,0,0|1,0,0]=3 7196 B11R1.333 C[C@@H](NCCC1CO1)C(=O)N 2230a_100000119354_100000732470 [0,1,0,1,0,0|2,0,0]=4 7197 B11R1.333 C[C@@H](NCCC1CO1)C(=O)N 34a_100000119354_100000732470 [0,1,0,1,0,0|2,0,0]=4 7198 B11R1.333 C[C@@H](OCCC1CC1)C(=O)N 34a_100000731257_100000694398 [0,1,0,1,0,0|1,0,0]=3 7199 B11R1.333 C[C@@H](OCCC1CC1)C(=O)N 7a_100000731257_100000764125 [0,1,0,1,0,0|1,0,0]=3 7200 B11R1.333 C[C@@H](OCCC1CO1)C(=O)N 34a_100000731257_100000732470 [0,1,0,1,0,0|2,0,0]=4 7201 B11R1.333 C[C@@H](OCCC1CO1)C(=O)N 7a_100000731257_100000732470 [0,1,0,1,0,0|2,0,0]=4 7202 B11R1.333 C[C@H](NCCC1CC1)C(=O)O 269956a_100000743915_100000694398 [0,1,0,1,0,0|0,0,0]=2 7203 B11R1.333 C[C@H](NCCC1CO1)C(=O)O 269956a_100000743915_100000732470 [0,1,0,1,0,0|1,0,0]=3 7204 B11R1.333 C[C@H](OCCC1CC1)C(=O)[O-] 7a_217856618621_100000764125 [0,1,0,1,0,0|0,0,1]=3 7205 B11R1.333 C[C@H](OCCC1CO1)C(=O)[O-] 7a_217856618621_100000732470 [0,1,0,1,0,0|1,0,1]=4 7206 B11R1.333 NC(=O)C(F)NCCC1CC1 34a_100000764129_100009813875 [0,1,0,1,0,0|2,0,0]=4 7207 B11R1.333 NC(=O)C(F)OCCC1CC1 34a_100000754188_100009813875 [0,1,0,1,0,0|2,0,0]=4 7208 B11R1.333 NC(=O)C(F)OCCC1CC1 7a_100000754188_100009813875 [0,1,0,1,0,0|2,0,0]=4 7209 B11R1.333 NC(=O)C(F)SCCC1CC1 62a_100000764125_100009813875 [0,1,0,1,0,0|2,0,0]=4 7210 B11R1.333 NC(=O)C(F)SCCC1CC1 62a_100009813875_100000764125 [0,1,0,1,0,0|2,0,0]=4 7211 B11R1.333 NC(=O)[C@@H](N)COCC1CC1 34a_100000729942_100000742324 [0,1,0,1,0,0|2,0,0]=4 7212 B11R1.333 O=C(O)C(F)CNCC1CC1 269956a_100000084737_100000742324 [0,1,0,1,0,0|1,0,0]=3 7213 B11R1.333 O=C(O)C(F)CNCC1CO1 269956a_100000084737_102125554688 [0,1,0,1,0,0|2,0,0]=4 7214 B11R1.333 O=C(O)C(F)CNCC1CS1 269956a_100000084737_100000031435 [0,1,0,1,0,0|2,0,0]=4 7215 B11R1.333 O=C(O)C(F)CNC[C@@H]1CO1 269956a_100000084737_100000745022 [0,1,0,1,0,0|2,0,0]=4 7216 B11R1.333 O=C([O-])C(F)NCCC1CC1 34a_100000764129_100020610796 [0,1,0,1,0,0|1,0,1]=4 7217 B11R1.333 O=C([O-])C(F)OCCC1CC1 34a_100000754188_100020610796 [0,1,0,1,0,0|1,0,1]=4 7218 B11R1.333 O=C([O-])C(F)SCCC1CC1 62a_100000764125_100020610796 [0,1,0,1,0,0|1,0,1]=4 7219 B11R1.333 O=C([O-])C(F)SCCC1CC1 62a_100020610796_100000764125 [0,1,0,1,0,0|1,0,1]=4 7220 B11R1.356 CCCCCNC(C)C1CO1 270004a_100000209983_100000031964 [0,1,0,1,0,0|1,0,1]=4 7221 B11R1.384 CCN1CCCN(C(=O)C1)C 2230a_100000709885_100000210202 [0,1,0,1,0,0|2,0,0]=4 7222 B11R1.384 CCN1CCCN(C(=O)C1)C 269982a_100000709885_100000204670 [0,1,0,1,0,0|2,0,0]=4 7223 B11R1.384 CCN1CCCN(C(=O)C1)C 34a_100000709885_100000210202 [0,1,0,1,0,0|2,0,0]=4 7224 B11R1.421 CCN1CCC[C@@]1(C)C(=O)O 269956a_100009816582_100000210202 [0,1,0,1,0,0|0,0,0]=2 7225 B11R1.421 C[C@]1(CCCN1CF)C(=O)O 269956a_100009816582_100015361967 [0,1,0,1,0,0|1,0,0]=3 7226 B11R1.520 CC1(CCCCN1[13CH3])C(=O)O 269956a_100000698061_200025704644 [0,1,0,1,0,0|0,0,0]=2 7227 B11R1.520 CN1CCCCC1(C)C(=O)O 269956a_100000698061_200000210301 [0,1,0,1,0,0|0,0,0]=2 7228 B11R1.706 CC(=O)C1CC/C=C\CCC1 1458a_100000070787_100021000466 [0,1,0,1,0,0|1,0,1]=4 7229 B11R1.706 CC(=O)N1CCCCCCC1 11a_100000211400_100015343762 [0,1,0,1,0,0|2,0,0]=4 7230 B11R1.706 CC(=O)N1CCCCCCC1 1626a_100000211400_100015343762 [0,1,0,1,0,0|2,0,0]=4 7231 B11R1.706 CC(=O)N1CCCCCCC1 240690a_100000211400_100015343762 [0,1,0,1,0,0|2,0,0]=4 7232 B11R1.706 CC(=O)N1CCCCCCC1 527a_100000211400_100103153847 [0,1,0,1,0,0|2,0,0]=4 7233 B11R1.757 CCCCCN1C[C@@H]([C@@H]1C)O 2230a_206633788156_100000210326 [0,1,0,1,0,0|1,0,1]=4 7234 B11R1.757 CCCCCN1C[C@@H]([C@@H]1C)O 269982a_206633788156_100000210215 [0,1,0,1,0,0|1,0,1]=4 7235 B11R1.149 CC(=O)C(C)C(=O)C1CC1C 1458a_100000211227_100000179758 [0,1,0,1,0,0|1,0,1]=4 7236 B11R1.149 CC(C(=O)N)C(=O)C1CC1C 1458a_100000211227_100000702099 [0,1,0,1,0,0|1,0,1]=4 7237 B11R1.167 CN1CCN(C(C1)C(=O)O)C 269956a_100020626280_200000210301 [0,1,0,1,0,0|2,0,0]=4 7238 B11R1.167 CN1CCN(C(C1)C(=O)O)[13CH3] 269956a_100020626280_200025704644 [0,1,0,1,0,0|2,0,0]=4 7239 B11R1.167 C[C@@H]1CCN([C@H](C1)C(=O)O)C 269956a_100009817619_200000210301 [0,1,0,1,0,0|1,0,0]=3 7240 B11R1.167 C[C@@H]1CCN([C@H](C1)C(=O)O)[13CH3] 269956a_100009817619_200025704644 [0,1,0,1,0,0|1,0,0]=3 7241 B11R1.204 CCCCN1CCC1C(=O)O 269956a_100000021838_100000210211 [0,1,0,1,0,0|1,0,0]=3 7242 B11R1.204 CCOCN1CCC1C(=O)O 269956a_100000021838_100000739092 [0,1,0,1,0,0|2,0,0]=4 7243 B11R1.204 COCCN1CCC1C(=O)O 269956a_100000021838_100000233755 [0,1,0,1,0,0|2,0,0]=4 7244 B11R1.204 CSCCN1CCC1C(=O)O 269956a_100000021838_100000212216 [0,1,0,1,0,0|2,0,0]=4 7245 B11R1.204 O=C(O)C1CCN1CCCF 269956a_100000021838_100011934791 [0,1,0,1,0,0|2,0,0]=4 7246 B11R1.204 O=C(O)C1CCN1CCCO 269956a_100000021838_100011215043 [0,1,0,1,0,0|2,0,0]=4 7247 B11R1.286 CCCCC(=O)C1CCC1=O 1458a_100000210183_100009892977 [0,1,0,1,0,0|1,0,1]=4 7248 B11R1.286 CCCCN(C)C1CCC1=O 269982a_100000207549_100009892977 [0,1,0,1,0,0|2,0,0]=4 7249 B11R1.314 CC(=O)C(C)N1CCC(C1)O 2230a_100011215560_100009814033 [0,1,0,1,0,0|2,0,0]=4 7250 B11R1.314 CC(=O)C(C)N1CCC(C1)O 269982a_100011215560_100009814033 [0,1,0,1,0,0|2,0,0]=4 7251 B11R1.314 CC(=O)C(C)N1CC[C@@H](C1)F 2230a_100015203821_100009814033 [0,1,0,1,0,0|2,0,0]=4 7252 B11R1.314 CC(=O)C(C)N1CC[C@@H](C1)F 269982a_100015203821_100009814033 [0,1,0,1,0,0|2,0,0]=4 7253 B11R1.314 CC(=O)C(C)N1CC[C@H](C1)C 2230a_100016987628_100009814033 [0,1,0,1,0,0|2,0,0]=4 7254 B11R1.314 CC(=O)C(C)N1CC[C@H](C1)C 269982a_100016987628_100009814033 [0,1,0,1,0,0|2,0,0]=4 7255 B11R1.314 CC(C(=O)N)N1CCC(C1)O 2230a_100011215560_100000702099 [0,1,0,1,0,0|2,0,0]=4 7256 B11R1.314 CC(C(=O)N)N1CCC(C1)O 269982a_100011215560_100000184083 [0,1,0,1,0,0|2,0,0]=4 7257 B11R1.314 CC(C(=O)N)N1CC[C@@H](C1)F 2230a_100015203821_100000702099 [0,1,0,1,0,0|2,0,0]=4 7258 B11R1.314 CC(C(=O)N)N1CC[C@@H](C1)F 269982a_100015203821_100000184083 [0,1,0,1,0,0|2,0,0]=4 7259 B11R1.314 CC(C(=O)N)N1CC[C@@H](C1)F 34a_100015203821_100000702099 [0,1,0,1,0,0|2,0,0]=4 7260 B11R1.314 CC(C(=O)N)N1CC[C@H](C1)C 2230a_100016987628_100000702099 [0,1,0,1,0,0|2,0,0]=4 7261 B11R1.314 CC(C(=O)N)N1CC[C@H](C1)C 269982a_100016987628_100000184083 [0,1,0,1,0,0|2,0,0]=4 7262 B11R1.314 CC(C(=O)N)N1CC[C@H](C1)C 34a_100016987628_100000702099 [0,1,0,1,0,0|2,0,0]=4 7263 B11R1.321 CCC1CN(C1)C(C)C(=O)C 2230a_100015205115_100009814033 [0,1,0,1,0,0|2,0,0]=4 7264 B11R1.321 CCC1CN(C1)C(C)C(=O)C 269982a_100015205115_100009814033 [0,1,0,1,0,0|2,0,0]=4 7265 B11R1.321 CCC1CN(C1)C(C)C(=O)N 2230a_100015205115_100000702099 [0,1,0,1,0,0|2,0,0]=4 7266 B11R1.321 CCC1CN(C1)C(C)C(=O)N 269982a_100015205115_100000184083 [0,1,0,1,0,0|2,0,0]=4 7267 B11R1.501 CC(=O)C(C)C(=O)C1CCC1 1458a_100000209988_100000179758 [0,1,0,1,0,0|1,0,1]=4 7268 B11R1.501 CC(=O)C(C)N(C)C1CCC1 2230a_100000758072_100009814033 [0,1,0,1,0,0|2,0,0]=4 7269 B11R1.501 CC(=O)C(C)N(C)C1CCC1 269982a_100000758072_100009814033 [0,1,0,1,0,0|2,0,0]=4 7270 B11R1.501 CC(C(=O)N)C(=O)C1CCC1 1458a_100000209988_100000702099 [0,1,0,1,0,0|1,0,1]=4 7271 B11R1.501 CC(C(=O)N)N(C)C1CCC1 2230a_100000758072_100000702099 [0,1,0,1,0,0|2,0,0]=4 7272 B11R1.501 CC(C(=O)N)N(C)C1CCC1 269982a_100000758072_100000184083 [0,1,0,1,0,0|2,0,0]=4 7273 B11R1.501 CC(C(=O)N)N(C)C1CCC1 34a_100000758072_100000702099 [0,1,0,1,0,0|2,0,0]=4 7274 B11R1.501 CC(C(=O)O)N(C)C1CCC1 269956a_100000749554_100000749161 [0,1,0,1,0,0|1,0,0]=3 7275 B11R1.501 CC(C(=O)O)N(C)C1COC1 269956a_100000749554_100009818527 [0,1,0,1,0,0|2,0,0]=4 7276 B11R1.503 CC(=O)C(C)C(=O)CC1CC1 1458a_100000738066_100000179758 [0,1,0,1,0,0|1,0,1]=4 7277 B11R1.503 CC(=O)C(C)N(C)CC1CC1 2230a_100000741881_100009814033 [0,1,0,1,0,0|2,0,0]=4 7278 B11R1.503 CC(=O)C(C)N(C)CC1CC1 269982a_100000741881_100009814033 [0,1,0,1,0,0|2,0,0]=4 7279 B11R1.503 CC(C(=O)N)C(=O)CC1CC1 1458a_100000738066_100000702099 [0,1,0,1,0,0|1,0,1]=4 7280 B11R1.503 CC(C(=O)N)N(C)CC1CC1 2230a_100000741881_100000702099 [0,1,0,1,0,0|2,0,0]=4 7281 B11R1.503 CC(C(=O)N)N(C)CC1CC1 269982a_100000741881_100000184083 [0,1,0,1,0,0|2,0,0]=4 7282 B11R1.503 CC(C(=O)O)N(C)CC1CC1 269956a_100000749554_100000742324 [0,1,0,1,0,0|1,0,0]=3 7283 B11R1.503 CC(C(=O)O)N(C)CC1CO1 269956a_100000749554_102125554688 [0,1,0,1,0,0|2,0,0]=4 7284 B11R1.503 CC(C(=O)O)N(C)CC1CS1 269956a_100000749554_100000031435 [0,1,0,1,0,0|2,0,0]=4 7285 B11R1.503 CC(C(=O)O)N(C)C[C@@H]1CO1 269956a_100000749554_100000745022 [0,1,0,1,0,0|2,0,0]=4 7286 B11R1.3 CC(=O)C1CCC(CC1)CO 1458a_100011217856_200000210301 [0,1,0,1,0,0|2,0,0]=4 7287 B11R1.3 CCC1CCN(CC1)C(=O)C 11a_100000754474_100015343762 [0,1,0,1,0,0|2,0,0]=4 7288 B11R1.3 CCC1CCN(CC1)C(=O)C 1626a_100000754474_100015343762 [0,1,0,1,0,0|2,0,0]=4 7289 B11R1.3 CCC1CCN(CC1)C(=O)C 240690a_100000754474_100015343762 [0,1,0,1,0,0|2,0,0]=4 7290 B11R1.3 CCC1CCN(CC1)C(=O)C 527a_100000754474_100103153847 [0,1,0,1,0,0|2,0,0]=4 7291 B11R1.3 CCN1CCC(CC1)C(=O)C 1458a_100015186486_200000210301 [0,1,0,1,0,0|2,0,0]=4 7292 B11R1.3 CCN1CCC(CC1)C(=O)N 2230a_100000210938_100000210202 [0,1,0,1,0,0|2,0,0]=4 7293 B11R1.3 CCN1CCC(CC1)C(=O)N 269982a_100000210938_100000204670 [0,1,0,1,0,0|2,0,0]=4 7294 B11R1.3 CCN1CCC(CC1)C(=O)N 34a_100000210938_100000210202 [0,1,0,1,0,0|2,0,0]=4 7295 B11R1.3 CCN1CCC(CC1)C(=O)O 269956a_100000210459_100000210202 [0,1,0,1,0,0|1,0,0]=3 7296 B11R1.3 CCN1CCC(CC1)C(=O)[13CH3] 1458a_100015186486_200025704644 [0,1,0,1,0,0|2,0,0]=4 7297 B11R1.3 CC[C@H]1CC[C@@H](CC1)C(=O)C 1458a_100000709782_200000210301 [0,1,0,1,0,0|1,0,0]=3 7298 B11R1.3 CC[C@H]1CC[C@@H](CC1)C(=O)[13CH3] 1458a_100000709782_200025704644 [0,1,0,1,0,0|1,0,0]=3 7299 B11R1.3 CNC1CCC(CC1)C(=O)N 270004a_106832991635_200000102705 [0,1,0,1,0,0|2,0,0]=4 7300 B11R1.3 CN[C@H]1CC[C@H](CC1)C(=O)O 269956a_100009815960_200000210301 [0,1,0,1,0,0|1,0,0]=3 7301 B11R1.3 COC1CCC(CC1)C(=O)C 1458a_100011215563_200000210301 [0,1,0,1,0,0|2,0,0]=4 7302 B11R1.3 COC1CCC(CC1)C(=O)[13CH3] 1458a_100011215563_200025704644 [0,1,0,1,0,0|2,0,0]=4 7303 B11R1.3 O=C(O)C1CCN(CC1)CF 269956a_100000210459_100015361967 [0,1,0,1,0,0|2,0,0]=4 7304 B11R1.3 [13CH3]C(=O)C1CCC(CC1)CO 1458a_100011217856_200025704644 [0,1,0,1,0,0|2,0,0]=4 7305 B11R1.3 [13CH3]N[C@H]1CC[C@H](CC1)C(=O)O 269956a_100009815960_200025704644 [0,1,0,1,0,0|1,0,0]=3 7306 B11R1.21 CC(=O)N1CCC(C(C1)C)O 240690a_100011998114_100015343762 [0,1,0,1,0,0|2,0,0]=4 7307 B11R1.21 CC(=O)N1CCC(C(C1)C)O 527a_100011998114_100103153847 [0,1,0,1,0,0|2,0,0]=4 7308 B11R1.146 CC(=O)C(C)N1C[C@@H]([C@@H]1C)O 2230a_206633788156_100009814033 [0,1,0,1,0,0|2,0,0]=4 7309 B11R1.146 CC(=O)C(C)N1C[C@@H]([C@@H]1C)O 269982a_206633788156_100009814033 [0,1,0,1,0,0|2,0,0]=4 7310 B11R1.146 CC(C(=O)N)N1C[C@@H]([C@@H]1C)O 2230a_206633788156_100000702099 [0,1,0,1,0,0|2,0,0]=4 7311 B11R1.146 CC(C(=O)N)N1C[C@@H]([C@@H]1C)O 269982a_206633788156_100000184083 [0,1,0,1,0,0|2,0,0]=4 7312 B11R1.220 CC1(CCN(CC1)[13CH3])C(=O)O 269956a_100000699452_200025704644 [0,1,0,1,0,0|1,0,0]=3 7313 B11R1.220 CN1CCC(CC1)(C)C(=O)O 269956a_100000699452_200000210301 [0,1,0,1,0,0|1,0,0]=3 7314 B11R1.220 CN1CCC(CC1)(F)C(=O)O 269956a_100020586884_200000210301 [0,1,0,1,0,0|2,0,0]=4 7315 B11R1.220 [13CH3]N1CCC(CC1)(F)C(=O)O 269956a_100020586884_200025704644 [0,1,0,1,0,0|2,0,0]=4 7316 B11R1.223 CCC(=O)CCC1CCC1=O 1458a_100000210414_200016118888 [0,1,0,1,0,0|1,0,1]=4 7317 B11R1.223 CCC(C)CSC1CCC1=O 62a_100000748023_100009892977 [0,1,0,1,0,0|2,0,0]=4 7318 B11R1.223 CCC(C)CSC1CCC1=O 62a_100009892977_100000748023 [0,1,0,1,0,0|2,0,0]=4 7319 B11R1.223 CCC(O)CSC1CCC1=O 62a_100009892977_100011218378 [0,1,0,1,0,0|2,0,0]=4 7320 B11R1.223 CCC(O)CSC1CCC1=O 62a_100011218378_100009892977 [0,1,0,1,0,0|2,0,0]=4 7321 B11R1.223 CCN(C)CCC1CCC1=O 2230a_100000225621_200016118888 [0,1,0,1,0,0|2,0,0]=4 7322 B11R1.223 CCN(C)CCC1CCC1=O 269982a_100000225621_200016118888 [0,1,0,1,0,0|2,0,0]=4 7323 B11R1.223 CC[C@H](C)COC1CCC1=O 7a_100009816381_100009892977 [0,1,0,1,0,0|2,0,0]=4 7324 B11R1.223 CC[C@H](C)CSC1CCC1=O 62a_100009816398_100009892977 [0,1,0,1,0,0|2,0,0]=4 7325 B11R1.223 CC[C@H](C)CSC1CCC1=O 62a_100009892977_100009816398 [0,1,0,1,0,0|2,0,0]=4 7326 B11R1.565 CC(=O)N1CCCC(CC1)C 11a_100025706717_100015343762 [0,1,0,1,0,0|2,0,0]=4 7327 B11R1.565 CC(=O)N1CCCC(CC1)C 1626a_100025706717_100015343762 [0,1,0,1,0,0|2,0,0]=4 7328 B11R1.565 CC(=O)N1CCCC(CC1)C 240690a_100025706717_100015343762 [0,1,0,1,0,0|2,0,0]=4 7329 B11R1.565 CC(=O)N1CCCC(CC1)C 527a_100025706717_100103153847 [0,1,0,1,0,0|2,0,0]=4 7330 B11R1.565 CC(=O)N1CCCC(CC1)O 240690a_100015186869_100015343762 [0,1,0,1,0,0|2,0,0]=4 7331 B11R1.565 CC(=O)N1CCCC(CC1)O 527a_100015186869_100103153847 [0,1,0,1,0,0|2,0,0]=4 7332 B11R1.565 CN1CCCC(CC1)C(=O)O 269956a_100000134118_200000210301 [0,1,0,1,0,0|1,0,0]=3 7333 B11R1.565 [13CH3]N1CCCC(CC1)C(=O)O 269956a_100000134118_200025704644 [0,1,0,1,0,0|1,0,0]=3 7334 B11R1.744 CC(=O)C(C)NCC1(CC1)C 2230a_100000766693_100009814033 [0,1,0,1,0,0|2,0,0]=4 7335 B11R1.744 CC(=O)C(C)NCC1(CC1)O 2230a_100011936951_100009814033 [0,1,0,1,0,0|2,0,0]=4 7336 B11R1.744 CC(=O)C(C)OCC1(CC1)C 7a_100000698024_100000179758 [0,1,0,1,0,0|2,0,0]=4 7337 B11R1.744 CC(=O)C(C)OCC1(CC1)F 7a_200000703853_100000179758 [0,1,0,1,0,0|2,0,0]=4 7338 B11R1.744 CC(NCC1(CC1)C)C(=O)N 2230a_100000766693_100000702099 [0,1,0,1,0,0|2,0,0]=4 7339 B11R1.744 CC(NCC1(CC1)O)C(=O)N 2230a_100011936951_100000702099 [0,1,0,1,0,0|2,0,0]=4 7340 B11R1.744 CC(OCC1(CC1)C)C(=O)N 7a_100000698024_100000702099 [0,1,0,1,0,0|2,0,0]=4 7341 B11R1.744 CC(OCC1(CC1)F)C(=O)N 34a_200000703853_100000702099 [0,1,0,1,0,0|2,0,0]=4 7342 B11R1.744 CC(OCC1(CC1)F)C(=O)N 7a_200000703853_100000702099 [0,1,0,1,0,0|2,0,0]=4 7343 B11R1.744 C[C@H](NCC1(CO1)C)C(=O)O 269956a_100000743915_100000760498 [0,1,0,1,0,0|2,0,0]=4 7344 B11R1.853 CCC(C)N1CC(C1)C(=O)N 34a_100025753142_100011215416 [0,1,0,1,0,0|2,0,0]=4 7345 B11R1.23 C=CC(=O)N1CCC[C@@H](C1)C 240690a_100000717927_200121576911 [0,1,0,1,0,0|2,0,0]=4 7346 B11R1.23 CC1CCCC(C1)C(=O)CF 1458a_100011215569_100015361967 [0,1,0,1,0,0|1,0,0]=3 7347 B11R1.23 CC1CN(CCO1)C(=O)CO 240690a_100000729577_100000210174 [0,1,0,1,0,0|2,0,0]=4 7348 B11R1.23 CC1CN(CCO1)C(=O)CO 527a_100000729577_100000210174 [0,1,0,1,0,0|2,0,0]=4 7349 B11R1.23 CCC(=O)C1CCCC(C1)C 1458a_100011215569_100000210202 [0,1,0,1,0,0|1,0,0]=3 7350 B11R1.23 CCC(=O)C1CCCC(C1)O 1458a_100000707227_100000210202 [0,1,0,1,0,0|2,0,0]=4 7351 B11R1.23 CCC(=O)C1CCCN(C1)C 1458a_100015257587_100000210202 [0,1,0,1,0,0|2,0,0]=4 7352 B11R1.23 CCC(=O)N1CCC[C@@H](C1)C 11a_100000717927_100000210414 [0,1,0,1,0,0|2,0,0]=4 7353 B11R1.23 CCC(=O)N1CCC[C@@H](C1)C 240690a_100000717927_100000210414 [0,1,0,1,0,0|2,0,0]=4 7354 B11R1.23 CCC(=O)N1CCC[C@@H](C1)C 527a_100000717927_100000210414 [0,1,0,1,0,0|2,0,0]=4 7355 B11R1.23 CN1CCCC(C1)C(=O)CF 1458a_100015257587_100015361967 [0,1,0,1,0,0|2,0,0]=4 7356 B11R1.23 CNC(=O)C1CCCC(C1)C 11a_106832991635_100011215569 [0,1,0,1,0,0|1,0,0]=3 7357 B11R1.23 CNC(=O)C1CCCC(C1)C 1626a_100102657272_100011215569 [0,1,0,1,0,0|1,0,0]=3 7358 B11R1.23 CNC(=O)C1CCCC(C1)C 240690a_100102657272_100011215569 [0,1,0,1,0,0|1,0,0]=3 7359 B11R1.23 CNC(=O)C1CCCC(C1)C 527a_100102657272_100011215569 [0,1,0,1,0,0|1,0,0]=3 7360 B11R1.23 CNC(=O)C1CCCC(C1)O 1626a_100102657272_100000707227 [0,1,0,1,0,0|2,0,0]=4 7361 B11R1.23 CNC(=O)C1CCCC(C1)O 240690a_100102657272_100000707227 [0,1,0,1,0,0|2,0,0]=4 7362 B11R1.23 CNC(=O)C1CCCN(C1)C 11a_106832991635_100015257587 [0,1,0,1,0,0|2,0,0]=4 7363 B11R1.23 CNC(=O)C1CCCN(C1)C 2230a_100000754358_200000210301 [0,1,0,1,0,0|2,0,0]=4 7364 B11R1.23 CNC(=O)C1CCCN(C1)C 240690a_100102657272_100015257587 [0,1,0,1,0,0|2,0,0]=4 7365 B11R1.23 CNC(=O)C1CCCN(C1)C 269982a_100000754358_200000210301 [0,1,0,1,0,0|2,0,0]=4 7366 B11R1.23 CNC(=O)C1CCCN(C1)C 34a_100000754358_200000210301 [0,1,0,1,0,0|2,0,0]=4 7367 B11R1.23 CNC(=O)C1CCCN(C1)[13CH3] 2230a_100000754358_200025704644 [0,1,0,1,0,0|2,0,0]=4 7368 B11R1.23 CNC(=O)C1CCCN(C1)[13CH3] 269982a_100000754358_200025704644 [0,1,0,1,0,0|2,0,0]=4 7369 B11R1.23 CNC(=O)C1CCCN(C1)[13CH3] 34a_100000754358_200025704644 [0,1,0,1,0,0|2,0,0]=4 7370 B11R1.23 CNC(=O)N1CCC[C@@H](C1)C 2708a_100102657272_100000717927 [0,1,0,1,0,0|2,0,0]=4 7371 B11R1.23 CNC(=O)N1CCC[C@@H](C1)C 273464a_100102657272_100000717927 [0,1,0,1,0,0|2,0,0]=4 7372 B11R1.23 COC(=O)C1CN(CCO1)C 2230a_100000751517_200000210301 [0,1,0,1,0,0|2,0,0]=4 7373 B11R1.23 COC(=O)C1CN(CCO1)C 269982a_100000751517_200000210301 [0,1,0,1,0,0|2,0,0]=4 7374 B11R1.23 COC(=O)C1CN(CCO1)C 34a_100000751517_200000210301 [0,1,0,1,0,0|2,0,0]=4 7375 B11R1.23 COC(=O)C1CN(CCO1)[13CH3] 2230a_100000751517_200025704644 [0,1,0,1,0,0|2,0,0]=4 7376 B11R1.23 COC(=O)C1CN(CCO1)[13CH3] 269982a_100000751517_200025704644 [0,1,0,1,0,0|2,0,0]=4 7377 B11R1.23 COC(=O)C1CN(CCO1)[13CH3] 34a_100000751517_200025704644 [0,1,0,1,0,0|2,0,0]=4 7378 B11R1.23 COC(=O)[C@H]1CCCN(C1)C 2230a_100016988859_200000210301 [0,1,0,1,0,0|1,0,0]=3 7379 B11R1.23 COC(=O)[C@H]1CCCN(C1)C 269982a_100016988859_200000210301 [0,1,0,1,0,0|1,0,0]=3 7380 B11R1.23 COC(=O)[C@H]1CCCN(C1)[13CH3] 2230a_100016988859_200025704644 [0,1,0,1,0,0|1,0,0]=3 7381 B11R1.23 COC(=O)[C@H]1CCCN(C1)[13CH3] 269982a_100016988859_200025704644 [0,1,0,1,0,0|1,0,0]=3 7382 B11R1.23 C[C@H]1CCCN(C1)C(=O)CO 240690a_100000717927_100000210174 [0,1,0,1,0,0|1,0,0]=3 7383 B11R1.23 C[C@H]1CCCN(C1)C(=O)CO 527a_100000717927_100000210174 [0,1,0,1,0,0|1,0,0]=3 7384 B11R1.23 O=C(CF)C1CCCC(C1)O 1458a_100000707227_100015361967 [0,1,0,1,0,0|2,0,0]=4 7385 B11R1.23 O=C(CO)N1CCCC(C1)F 240690a_100000697950_100000210174 [0,1,0,1,0,0|2,0,0]=4 7386 B11R1.23 O=C(CO)N1CCCC(C1)F 527a_100000697950_100000210174 [0,1,0,1,0,0|2,0,0]=4 7387 B11R1.23 O=C(CO)N1CCCC(C1)O 240690a_100000211013_100000210174 [0,1,0,1,0,0|2,0,0]=4 7388 B11R1.23 O=C(CO)N1CCCC(C1)O 527a_100000211013_100000210174 [0,1,0,1,0,0|2,0,0]=4 7389 B11R1.31 C=CC(=O)N(C)C1CCCC1 1626a_100000207505_100000185746 [0,1,0,1,0,0|2,0,0]=4 7390 B11R1.31 C=CC(=O)N(C)C1CCCC1 240690a_100000207505_200121576911 [0,1,0,1,0,0|2,0,0]=4 7391 B11R1.31 CC(C(=O)CF)N1CCCC1 1458a_100025750167_100015361967 [0,1,0,1,0,0|2,0,0]=4 7392 B11R1.31 CCC(=O)C(C)N1CCCC1 1458a_100025750167_100000210202 [0,1,0,1,0,0|2,0,0]=4 7393 B11R1.31 CCC(=O)C(C)N1CCCC1 2230a_100000188435_100000742827 [0,1,0,1,0,0|2,0,0]=4 7394 B11R1.31 CCC(=O)C(C)N1CCCC1 269982a_100000188435_100000742827 [0,1,0,1,0,0|2,0,0]=4 7395 B11R1.31 CCC(=O)N(C)C1CCCC1 11a_100000207505_100000210414 [0,1,0,1,0,0|2,0,0]=4 7396 B11R1.31 CCC(=O)N(C)C1CCCC1 1626a_100000207505_100000210414 [0,1,0,1,0,0|2,0,0]=4 7397 B11R1.31 CCC(=O)N(C)C1CCCC1 240690a_100000207505_100000210414 [0,1,0,1,0,0|2,0,0]=4 7398 B11R1.31 CCC(=O)N(C)C1CCCC1 527a_100000207505_100000210414 [0,1,0,1,0,0|2,0,0]=4 7399 B11R1.31 CN(C(=O)CO)C1CCCC1 240690a_100000207505_100000210174 [0,1,0,1,0,0|1,0,0]=3 7400 B11R1.31 CN(C(=O)CO)C1CCCC1 527a_100000207505_100000210174 [0,1,0,1,0,0|1,0,0]=3 7401 B11R1.31 CN(C(=O)CO)C1CCOC1 240690a_100016988252_100000210174 [0,1,0,1,0,0|2,0,0]=4 7402 B11R1.31 CN(C(=O)CO)C1CCOC1 527a_100016988252_100000210174 [0,1,0,1,0,0|2,0,0]=4 7403 B11R1.31 CNC(=O)C(C)N1CCCC1 2230a_100000188435_100000731044 [0,1,0,1,0,0|2,0,0]=4 7404 B11R1.31 CNC(=O)C(C)N1CCCC1 240690a_100102657272_100025750167 [0,1,0,1,0,0|2,0,0]=4 7405 B11R1.31 CNC(=O)C(C)N1CCCC1 269982a_100000188435_100000209862 [0,1,0,1,0,0|2,0,0]=4 7406 B11R1.31 CNC(=O)C(C)N1CCCC1 527a_100102657272_100025750167 [0,1,0,1,0,0|2,0,0]=4 7407 B11R1.31 CNC(=O)N(C)C1CCCC1 2708a_100102657272_100000207505 [0,1,0,1,0,0|2,0,0]=4 7408 B11R1.31 CNC(=O)N(C)C1CCCC1 273464a_100102657272_100000207505 [0,1,0,1,0,0|2,0,0]=4 7409 B11R1.31 COC(=O)C(C)N1CCCC1 2230a_100000188435_100000211248 [0,1,0,1,0,0|1,0,0]=3 7410 B11R1.31 COC(=O)C(C)N1CCCC1 269982a_100000188435_100000211248 [0,1,0,1,0,0|1,0,0]=3 7411 B11R1.31 COC(=O)C(C)N1CCSC1 2230a_100011215254_100000211248 [0,1,0,1,0,0|2,0,0]=4 7412 B11R1.31 COC(=O)C(C)N1CCSC1 269982a_100011215254_100000211248 [0,1,0,1,0,0|2,0,0]=4 7413 B11R1.44 CCC(=O)C1CCN(C1)CC 1458a_100103286618_100000210202 [0,1,0,1,0,0|2,0,0]=4 7414 B11R1.44 CCN1CCC(C1)C(=O)CF 1458a_100103286618_100015361967 [0,1,0,1,0,0|2,0,0]=4 7415 B11R1.44 CCN1CCC(C1)C(=O)NC 11a_106832991635_100103286618 [0,1,0,1,0,0|2,0,0]=4 7416 B11R1.44 CCN1CCC(C1)C(=O)NC 2230a_100020588580_100000210202 [0,1,0,1,0,0|2,0,0]=4 7417 B11R1.44 CCN1CCC(C1)C(=O)NC 240690a_100102657272_100103286618 [0,1,0,1,0,0|2,0,0]=4 7418 B11R1.44 CCN1CCC(C1)C(=O)NC 269982a_100020588580_100000204670 [0,1,0,1,0,0|2,0,0]=4 7419 B11R1.44 CCN1CCC(C1)C(=O)NC 34a_100020588580_100000210202 [0,1,0,1,0,0|2,0,0]=4 7420 B11R1.44 CCN1CC[C@H](C1)C(=O)OC 2230a_100016989057_100000210202 [0,1,0,1,0,0|1,0,0]=3 7421 B11R1.44 CCN1CC[C@H](C1)C(=O)OC 269982a_100016989057_100000204670 [0,1,0,1,0,0|1,0,0]=3 7422 B11R1.44 COC(=O)C1CCC(C1)OC 34a_100010257243_200000210301 [0,1,0,1,0,0|1,0,0]=3 7423 B11R1.44 COC(=O)C1CCC(C1)OC 7a_100010257243_200000210301 [0,1,0,1,0,0|1,0,0]=3 7424 B11R1.44 COC(=O)C1CCC(C1)O[13CH3] 34a_100010257243_200025704644 [0,1,0,1,0,0|1,0,0]=3 7425 B11R1.44 COC(=O)C1CCC(C1)O[13CH3] 7a_100010257243_200025704644 [0,1,0,1,0,0|1,0,0]=3 7426 B11R1.44 COC(=O)[C@@H]1CCN(C1)CF 269982a_100016989057_100015361967 [0,1,0,1,0,0|2,0,0]=4 7427 B11R1.44 CO[C@@H]1CCN(C1)C(=O)CO 240690a_100000766984_100000210174 [0,1,0,1,0,0|2,0,0]=4 7428 B11R1.44 CO[C@@H]1CCN(C1)C(=O)CO 527a_100000766984_100000210174 [0,1,0,1,0,0|2,0,0]=4 7429 B11R1.44 O=C(CO)N1CCC(C1)CO 240690a_100000748654_100000210174 [0,1,0,1,0,0|2,0,0]=4 7430 B11R1.44 O=C(CO)N1CCC(C1)CO 527a_100000748654_100000210174 [0,1,0,1,0,0|2,0,0]=4 7431 B11R1.121 CCC(=O)C1CC(C1)COC 1458a_100000138301_100000210202 [0,1,0,1,0,0|2,0,0]=4 7432 B11R1.121 CCCN1CC(C1)C(=O)NC 34a_100000703363_100000210303 [0,1,0,1,0,0|2,0,0]=4 7433 B11R1.121 CCCN1CC(C1)C(=O)OC 269982a_100015188540_100000210303 [0,1,0,1,0,0|1,0,0]=3 7434 B11R1.121 CCOC1CC(C1)C(=O)OC 34a_100121572206_100009897219 [0,1,0,1,0,0|1,0,0]=3 7435 B11R1.121 CCOC1CC(C1)C(=O)OC 7a_100000076263_100000210202 [0,1,0,1,0,0|1,0,0]=3 7436 B11R1.121 CCOC1CN(C1)C(=O)CO 240690a_100000732654_100000210174 [0,1,0,1,0,0|2,0,0]=4 7437 B11R1.121 CCOC1CN(C1)C(=O)CO 527a_100000732654_100000210174 [0,1,0,1,0,0|2,0,0]=4 7438 B11R1.121 CCSC1CC(C1)C(=O)OC 62a_100000210202_100009897219 [0,1,0,1,0,0|1,0,0]=3 7439 B11R1.121 CCSC1CC(C1)C(=O)OC 62a_100009897219_100000210202 [0,1,0,1,0,0|1,0,0]=3 7440 B11R1.121 CNC(=O)C1CC(C1)COC 11a_106832991635_100000138301 [0,1,0,1,0,0|2,0,0]=4 7441 B11R1.121 CNC(=O)C1CC(C1)COC 1626a_100102657272_100000138301 [0,1,0,1,0,0|2,0,0]=4 7442 B11R1.121 CNC(=O)C1CC(C1)COC 240690a_100102657272_100000138301 [0,1,0,1,0,0|2,0,0]=4 7443 B11R1.121 CNC(=O)C1CC(C1)COC 527a_100102657272_100000138301 [0,1,0,1,0,0|2,0,0]=4 7444 B11R1.121 COC(=O)C1CC(C1)CO[13CH3] 34a_100009884387_200025704644 [0,1,0,1,0,0|1,0,0]=3 7445 B11R1.121 COC(=O)C1CC(C1)CO[13CH3] 7a_100009884387_200025704644 [0,1,0,1,0,0|1,0,0]=3 7446 B11R1.121 COC(=O)C1CC(C1)OCF 7a_100000076263_100015361967 [0,1,0,1,0,0|2,0,0]=4 7447 B11R1.121 COC(=O)C1CC(C1)SCF 62a_100009897219_100015361967 [0,1,0,1,0,0|2,0,0]=4 7448 B11R1.121 COC(=O)C1CC(C1)SCF 62a_100015361967_100009897219 [0,1,0,1,0,0|2,0,0]=4 7449 B11R1.121 COC(=O)C1CN(C1)CCF 269982a_100015188540_100011217306 [0,1,0,1,0,0|2,0,0]=4 7450 B11R1.121 COC(=O)C1CN(C1)CCO 269982a_100015188540_100000211926 [0,1,0,1,0,0|2,0,0]=4 7451 B11R1.121 COC(=O)C1CN(C1)CSC 269982a_100015188540_100011218213 [0,1,0,1,0,0|2,0,0]=4 7452 B11R1.121 COCC1CC(C1)C(=O)CF 1458a_100000138301_100015361967 [0,1,0,1,0,0|2,0,0]=4 7453 B11R1.121 COCC1CC(C1)C(=O)OC 34a_100009884387_200000210301 [0,1,0,1,0,0|1,0,0]=3 7454 B11R1.121 COCC1CC(C1)C(=O)OC 7a_100009884387_200000210301 [0,1,0,1,0,0|1,0,0]=3 7455 B11R1.121 COCC1CN(C1)C(=O)CO 240690a_100016993750_100000210174 [0,1,0,1,0,0|2,0,0]=4 7456 B11R1.121 COCC1CN(C1)C(=O)CO 527a_100016993750_100000210174 [0,1,0,1,0,0|2,0,0]=4 7457 B11R1.121 COCN1CC(C1)C(=O)OC 269982a_100015188540_100000766300 [0,1,0,1,0,0|2,0,0]=4 7458 B11R1.180 CCCCNC1CCCC1=O 2230a_100000102301_100000211823 [0,1,0,1,0,0|2,0,0]=4 7459 B11R1.180 CCCCNC1CCCC1=O 7a_106832991798_100000211823 [0,1,0,1,0,0|2,0,0]=4 7460 B11R1.180 CCCCNC1CCNC1=O 2230a_100016995588_100000210211 [0,1,0,1,0,0|2,0,0]=4 7461 B11R1.180 CCCCNC1CCNC1=O 34a_100016995588_100000210210 [0,1,0,1,0,0|2,0,0]=4 7462 B11R1.180 CCCCNC1CCOC1=O 2230a_100000102301_100000211211 [0,1,0,1,0,0|1,0,0]=3 7463 B11R1.180 CCCCNC1CCOC1=O 7a_106832991798_100000211211 [0,1,0,1,0,0|1,0,0]=3 7464 B11R1.180 CCCCN[C@@H]1CONC1=O 2230a_100000765999_100000210211 [0,1,0,1,0,0|1,0,0]=3 7465 B11R1.180 CCCCN[C@@H]1CONC1=O 34a_100000765999_100000210210 [0,1,0,1,0,0|1,0,0]=3 7466 B11R1.180 CCCCOC1CCCC1=O 34a_100000210227_100000709159 [0,1,0,1,0,0|2,0,0]=4 7467 B11R1.180 CCCCOC1CCCC1=O 34a_200000719330_100000210210 [0,1,0,1,0,0|2,0,0]=4 7468 B11R1.180 CCCCOC1CCCC1=O 7a_100000210227_100000211823 [0,1,0,1,0,0|2,0,0]=4 7469 B11R1.180 CCCCOC1CCOC1=O 34a_100000210227_100000211211 [0,1,0,1,0,0|1,0,0]=3 7470 B11R1.180 CCCCOC1CCOC1=O 7a_100000210227_100000211211 [0,1,0,1,0,0|1,0,0]=3 7471 B11R1.180 CCCCO[C@H]1CCNC1=O 34a_100000688343_100000210210 [0,1,0,1,0,0|2,0,0]=4 7472 B11R1.180 CCCCSC1CCCC1=O 62a_100000210211_100000211823 [0,1,0,1,0,0|2,0,0]=4 7473 B11R1.180 CCCCSC1CCCC1=O 62a_100000211823_100000210210 [0,1,0,1,0,0|2,0,0]=4 7474 B11R1.180 CCCCSC1CCOC1=O 62a_100000210211_100000211211 [0,1,0,1,0,0|1,0,0]=3 7475 B11R1.180 CCCCSC1CCOC1=O 62a_100000211211_100000210210 [0,1,0,1,0,0|1,0,0]=3 7476 B11R1.180 CCCOCC1CCNC1=O 34a_100000133458_100000210303 [0,1,0,1,0,0|2,0,0]=4 7477 B11R1.180 CCOCSC1CCOC1=O 62a_100000211211_100000739092 [0,1,0,1,0,0|2,0,0]=4 7478 B11R1.180 CCOCSC1CCOC1=O 62a_100000739092_100000211211 [0,1,0,1,0,0|2,0,0]=4 7479 B11R1.180 COCCNC1CCOC1=O 2230a_100000209980_100000211211 [0,1,0,1,0,0|2,0,0]=4 7480 B11R1.180 COCCN[C@@H]1CONC1=O 2230a_100000765999_100011201679 [0,1,0,1,0,0|2,0,0]=4 7481 B11R1.180 COCCN[C@@H]1CONC1=O 34a_100000765999_100011201679 [0,1,0,1,0,0|2,0,0]=4 7482 B11R1.180 COCCOC1CCOC1=O 34a_100000210237_100000211211 [0,1,0,1,0,0|2,0,0]=4 7483 B11R1.180 COCCSC1CCOC1=O 62a_100000211211_100000233755 [0,1,0,1,0,0|2,0,0]=4 7484 B11R1.180 COCCSC1CCOC1=O 62a_100000233755_100000211211 [0,1,0,1,0,0|2,0,0]=4 7485 B11R1.180 CSCCNC1CCOC1=O 2230a_100020590264_100000211211 [0,1,0,1,0,0|2,0,0]=4 7486 B11R1.180 CSCCN[C@@H]1CONC1=O 2230a_100000765999_100000751147 [0,1,0,1,0,0|2,0,0]=4 7487 B11R1.180 CSCCN[C@@H]1CONC1=O 34a_100000765999_100000212216 [0,1,0,1,0,0|2,0,0]=4 7488 B11R1.180 CSCCOC1CCOC1=O 34a_100000230434_100000211211 [0,1,0,1,0,0|2,0,0]=4 7489 B11R1.180 CSCCOC1CCOC1=O 7a_100000230434_100000211211 [0,1,0,1,0,0|2,0,0]=4 7490 B11R1.180 CSCCSC1CCOC1=O 62a_100000211211_100000751147 [0,1,0,1,0,0|2,0,0]=4 7491 B11R1.180 CSCCSC1CCOC1=O 62a_100000212216_100000211211 [0,1,0,1,0,0|2,0,0]=4 7492 B11R1.180 NCCCOC1CCOC1=O 34a_100000182051_100000211211 [0,1,0,1,0,0|2,0,0]=4 7493 B11R1.180 O=C1NOC[C@H]1NCCCF 2230a_100000765999_100011934791 [0,1,0,1,0,0|2,0,0]=4 7494 B11R1.180 O=C1NOC[C@H]1NCCCF 34a_100000765999_100011934791 [0,1,0,1,0,0|2,0,0]=4 7495 B11R1.180 O=C1NOC[C@H]1NCCCO 2230a_100000765999_100000230001 [0,1,0,1,0,0|2,0,0]=4 7496 B11R1.180 O=C1NOC[C@H]1NCCCO 34a_100000765999_100000230001 [0,1,0,1,0,0|2,0,0]=4 7497 B11R1.180 O=C1OCCC1NCCCF 2230a_100015189416_100000211211 [0,1,0,1,0,0|2,0,0]=4 7498 B11R1.180 O=C1OCCC1NCCCF 34a_100015189416_100000211211 [0,1,0,1,0,0|2,0,0]=4 7499 B11R1.180 O=C1OCCC1OCCCBr 34a_100011217188_100000211211 [0,1,0,1,0,0|2,0,0]=4 7500 B11R1.180 O=C1OCCC1OCCCCl 34a_100000230001_100000211211 [0,1,0,1,0,0|2,0,0]=4 7501 B11R1.180 O=C1OCCC1OCCCF 34a_100000759539_100000211211 [0,1,0,1,0,0|2,0,0]=4 7502 B11R1.180 O=C1OCCC1SCCCF 62a_100000211211_100011934791 [0,1,0,1,0,0|2,0,0]=4 7503 B11R1.180 O=C1OCCC1SCCCF 62a_100011934791_100000211211 [0,1,0,1,0,0|2,0,0]=4 7504 B11R1.180 O=C1OCCC1SCCCO 62a_100000211211_100011215043 [0,1,0,1,0,0|2,0,0]=4 7505 B11R1.180 O=C1OCCC1SCCCO 62a_100011215043_100000211211 [0,1,0,1,0,0|2,0,0]=4 7506 B11R1.218 CCCCN1CC1C(=O)OC 2230a_200009830135_100000210211 [0,1,0,1,0,0|1,0,0]=3 7507 B11R1.218 COC(=O)C1CN1CCCF 2230a_200009830135_100011934791 [0,1,0,1,0,0|2,0,0]=4 7508 B11R1.218 COC(=O)C1CN1CCCO 2230a_200009830135_100000230001 [0,1,0,1,0,0|2,0,0]=4 7509 B11R1.218 COC(=O)C1CN1CCSC 2230a_200009830135_100000751147 [0,1,0,1,0,0|2,0,0]=4 7510 B11R1.218 COCCN1CC1C(=O)OC 2230a_200009830135_100011201679 [0,1,0,1,0,0|2,0,0]=4 7511 B11R1.292 COC(=O)C(C)N[C@@H]1C[C@@H]1F 2230a_100015190264_100000211248 [0,1,0,1,0,0|2,0,0]=4 7512 B11R1.292 COC(=O)C(C)N[C@@H]1C[C@H]1F 2230a_100025746932_100000211248 [0,1,0,1,0,0|2,0,0]=4 7513 B11R1.292 COC(=O)C(C)N[C@@H]1C[C@H]1F 34a_100025746932_100000211248 [0,1,0,1,0,0|2,0,0]=4 7514 B11R1.293 C=CC(=O)N(C)CC1CCC1 1626a_200000750244_100000185746 [0,1,0,1,0,0|2,0,0]=4 7515 B11R1.293 C=CC(=O)N(C)CC1CCC1 240690a_200000750244_200121576911 [0,1,0,1,0,0|2,0,0]=4 7516 B11R1.293 CC(OC1CCC1)C(=O)NN 34a_100000725659_100000749161 [0,1,0,1,0,0|2,0,0]=4 7517 B11R1.293 CCC(=O)C(C)NC1CCC1 2230a_100000749019_100000742827 [0,1,0,1,0,0|2,0,0]=4 7518 B11R1.293 CCC(=O)C(C)SC1CCC1 62a_100000742827_100000749161 [0,1,0,1,0,0|2,0,0]=4 7519 B11R1.293 CCC(=O)N(C)CC1CCC1 11a_200000750244_100000210414 [0,1,0,1,0,0|2,0,0]=4 7520 B11R1.293 CCC(=O)N(C)CC1CCC1 1626a_200000750244_100000210414 [0,1,0,1,0,0|2,0,0]=4 7521 B11R1.293 CCC(=O)N(C)CC1CCC1 240690a_200000750244_100000210414 [0,1,0,1,0,0|2,0,0]=4 7522 B11R1.293 CCC(=O)N(C)CC1CCC1 527a_200000750244_100000210414 [0,1,0,1,0,0|2,0,0]=4 7523 B11R1.293 CN(CC1CCC1)C(=O)CO 240690a_200000750244_100000210174 [0,1,0,1,0,0|1,0,0]=3 7524 B11R1.293 CN(CC1CCC1)C(=O)CO 527a_200000750244_100000210174 [0,1,0,1,0,0|1,0,0]=3 7525 B11R1.293 CNC(=O)C(C)NC1CCC1 2230a_100000749019_100000731044 [0,1,0,1,0,0|2,0,0]=4 7526 B11R1.293 CNC(=O)C(C)NC1CCC1 34a_100000749019_100000731044 [0,1,0,1,0,0|2,0,0]=4 7527 B11R1.293 CNC(=O)C(C)OC1CCC1 34a_100000748187_100000731044 [0,1,0,1,0,0|2,0,0]=4 7528 B11R1.293 CNC(=O)C(C)SC1CCC1 62a_100000209862_100000749161 [0,1,0,1,0,0|2,0,0]=4 7529 B11R1.293 CNC(=O)N(C)CC1CCC1 2708a_100102657272_200000750244 [0,1,0,1,0,0|2,0,0]=4 7530 B11R1.293 CNC(=O)N(C)CC1CCC1 273464a_100102657272_200000750244 [0,1,0,1,0,0|2,0,0]=4 7531 B11R1.293 CNC(=O)[C@@H](C)NC1CCC1 34a_100000684985_100000749161 [0,1,0,1,0,0|2,0,0]=4 7532 B11R1.293 COC(=O)C(C)CN1CCC1 269982a_100000754969_100000698445 [0,1,0,1,0,0|1,0,0]=3 7533 B11R1.293 COC(=O)C(C)NC1CCC1 2230a_100000749019_100000211248 [0,1,0,1,0,0|1,0,0]=3 7534 B11R1.293 COC(=O)C(C)NC1CCC1 34a_100000749019_100000211248 [0,1,0,1,0,0|1,0,0]=3 7535 B11R1.293 COC(=O)C(C)NC1COC1 2230a_100016991112_100000211248 [0,1,0,1,0,0|2,0,0]=4 7536 B11R1.293 COC(=O)C(C)OC1CCC1 34a_100000748187_100000211248 [0,1,0,1,0,0|1,0,0]=3 7537 B11R1.293 COC(=O)C(C)OC1CCC1 34a_100011215400_100000749161 [0,1,0,1,0,0|1,0,0]=3 7538 B11R1.293 COC(=O)C(C)OC1COC1 34a_100011215400_100009818527 [0,1,0,1,0,0|2,0,0]=4 7539 B11R1.293 COC(=O)C(C)OC1CSC1 7a_100000072292_100000211248 [0,1,0,1,0,0|2,0,0]=4 7540 B11R1.293 COC(=O)C(C)SC1CCC1 62a_100000211248_100000749161 [0,1,0,1,0,0|1,0,0]=3 7541 B11R1.293 COC(=O)C(C)SC1COC1 62a_100000211248_100009818527 [0,1,0,1,0,0|2,0,0]=4 7542 B11R1.294 CC(OCC1CC1)C(=O)NN 34a_100000725659_100000742324 [0,1,0,1,0,0|2,0,0]=4 7543 B11R1.294 CCC(=O)C(C)NCC1CC1 2230a_100000735609_100000742827 [0,1,0,1,0,0|2,0,0]=4 7544 B11R1.294 CCC(=O)C(C)SCC1CC1 62a_100000742827_100000742324 [0,1,0,1,0,0|2,0,0]=4 7545 B11R1.294 CCC(=O)C(C)SCC1CC1 62a_100000756562_100000742827 [0,1,0,1,0,0|2,0,0]=4 7546 B11R1.294 CNC(=O)C(C)CNC1CC1 34a_100015187722_100000211595 [0,1,0,1,0,0|2,0,0]=4 7547 B11R1.294 CNC(=O)C(C)NCC1CC1 2230a_100000735609_100000731044 [0,1,0,1,0,0|2,0,0]=4 7548 B11R1.294 CNC(=O)C(C)NCC1CC1 34a_100000735609_100000731044 [0,1,0,1,0,0|2,0,0]=4 7549 B11R1.294 CNC(=O)C(C)OCC1CC1 34a_100000211283_100000731044 [0,1,0,1,0,0|2,0,0]=4 7550 B11R1.294 CNC(=O)C(C)SCC1CC1 62a_100000209862_100000742324 [0,1,0,1,0,0|2,0,0]=4 7551 B11R1.294 CNC(=O)C(C)SCC1CC1 62a_100000756562_100000731044 [0,1,0,1,0,0|2,0,0]=4 7552 B11R1.294 CNC(=O)[C@@H](C)NCC1CC1 2230a_100000684985_100000742324 [0,1,0,1,0,0|2,0,0]=4 7553 B11R1.294 CNC(=O)[C@@H](C)NCC1CC1 34a_100000684985_100000742324 [0,1,0,1,0,0|2,0,0]=4 7554 B11R1.294 COC(=O)C(C)CNC1CC1 34a_100000212008_100000698445 [0,1,0,1,0,0|1,0,0]=3 7555 B11R1.294 COC(=O)C(C)COC1CC1 34a_100000749362_100000211595 [0,1,0,1,0,0|1,0,0]=3 7556 B11R1.294 COC(=O)C(C)CSC1CC1 62a_100000698445_100000211595 [0,1,0,1,0,0|1,0,0]=3 7557 B11R1.294 COC(=O)C(C)NCC1CC1 2230a_100000735609_100000211248 [0,1,0,1,0,0|1,0,0]=3 7558 B11R1.294 COC(=O)C(C)NCC1CC1 34a_100000735609_100000211248 [0,1,0,1,0,0|1,0,0]=3 7559 B11R1.294 COC(=O)C(C)OCC1CC1 34a_100000211283_100000211248 [0,1,0,1,0,0|1,0,0]=3 7560 B11R1.294 COC(=O)C(C)OCC1CC1 34a_100011215400_100000742324 [0,1,0,1,0,0|1,0,0]=3 7561 B11R1.294 COC(=O)C(C)OCC1CO1 34a_100011215400_102125554688 [0,1,0,1,0,0|2,0,0]=4 7562 B11R1.294 COC(=O)C(C)OC[C@@H]1CO1 34a_100000757423_100000211248 [0,1,0,1,0,0|2,0,0]=4 7563 B11R1.294 COC(=O)C(C)SCC1CC1 62a_100000211248_100000742324 [0,1,0,1,0,0|1,0,0]=3 7564 B11R1.294 COC(=O)C(C)SCC1CC1 62a_100000756562_100000211248 [0,1,0,1,0,0|1,0,0]=3 7565 B11R1.294 COC(=O)C(C)SCC1CO1 62a_100000211248_102125554688 [0,1,0,1,0,0|2,0,0]=4 7566 B11R1.294 COC(=O)C(C)SCC1CO1 62a_102125554688_100000211248 [0,1,0,1,0,0|2,0,0]=4 7567 B11R1.294 COC(=O)C(C)SCC1CS1 62a_100000031435_100000211248 [0,1,0,1,0,0|2,0,0]=4 7568 B11R1.294 COC(=O)C(C)SCC1CS1 62a_100000211248_100000031435 [0,1,0,1,0,0|2,0,0]=4 7569 B11R1.294 COC(=O)C(C)SC[C@@H]1CO1 62a_100000211248_100000745022 [0,1,0,1,0,0|2,0,0]=4 7570 B11R1.294 COC(=O)C(C)SC[C@@H]1CO1 62a_100000745022_100000211248 [0,1,0,1,0,0|2,0,0]=4 7571 B11R1.294 COC(=O)C(F)COC1CC1 34a_200009849844_100000211595 [0,1,0,1,0,0|2,0,0]=4 7572 B11R1.294 COC(=O)[C@H](N)COC1CC1 34a_100000003586_100000211595 [0,1,0,1,0,0|2,0,0]=4 7573 B11R1.295 CCC(=O)C(C)N1CCC1C 269982a_100000755817_100000742827 [0,1,0,1,0,0|2,0,0]=4 7574 B11R1.295 CNC(=O)C(C)N1CCC1C 269982a_100000755817_100000209862 [0,1,0,1,0,0|2,0,0]=4 7575 B11R1.295 CNC(=O)C(C)N1CCC1C 34a_100000755817_100000731044 [0,1,0,1,0,0|2,0,0]=4 7576 B11R1.295 COC(=O)C(C)N1CCC1C 269982a_100000755817_100000211248 [0,1,0,1,0,0|1,0,0]=3 7577 B11R1.295 COC(=O)C(C)N1CCC1C 34a_100000755817_100000211248 [0,1,0,1,0,0|1,0,0]=3 7578 B11R1.852 C#CC(=O)C1CCCCCC1 1458a_100000211873_100011217769 [0,1,0,1,0,0|1,0,0]=3 7579 B11R1.852 C=CC(=O)C1CCCCCC1 1458a_100000185746_100011217769 [0,1,0,1,0,0|1,0,0]=3 7580 B11R1.852 C=CC(=O)N1CCCCCC1 1626a_100000185865_100000185746 [0,1,0,1,0,0|2,0,0]=4 7581 B11R1.852 C=CC(=O)N1CCCCCC1 240690a_100000185865_200121576911 [0,1,0,1,0,0|2,0,0]=4 7582 B11R1.852 CCC(=O)C1CCCCCC1 1458a_100000210414_100011217769 [0,1,0,1,0,0|1,0,0]=3 7583 B11R1.852 CCC(=O)C1CCCCCC1 1458a_100000749507_100000210202 [0,1,0,1,0,0|1,0,0]=3 7584 B11R1.852 CCC(=O)N1CCCCCC1 11a_100000185865_100000210414 [0,1,0,1,0,0|2,0,0]=4 7585 B11R1.852 CCC(=O)N1CCCCCC1 1626a_100000185865_100000210414 [0,1,0,1,0,0|2,0,0]=4 7586 B11R1.852 CCC(=O)N1CCCCCC1 240690a_100000185865_100000210414 [0,1,0,1,0,0|2,0,0]=4 7587 B11R1.852 CCC(=O)N1CCCCCC1 527a_100000185865_100000210414 [0,1,0,1,0,0|2,0,0]=4 7588 B11R1.852 CNC(=O)C1CCCCCC1 11a_106832991635_100000749507 [0,1,0,1,0,0|1,0,0]=3 7589 B11R1.852 CNC(=O)C1CCCCCC1 1626a_100102657272_100000749507 [0,1,0,1,0,0|1,0,0]=3 7590 B11R1.852 CNC(=O)C1CCCCCC1 240690a_100102657272_100000749507 [0,1,0,1,0,0|1,0,0]=3 7591 B11R1.852 CNC(=O)C1CCCCCC1 527a_100102657272_100000749507 [0,1,0,1,0,0|1,0,0]=3 7592 B11R1.852 CNC(=O)N1CCCCCC1 2708a_100102657272_100000185865 [0,1,0,1,0,0|2,0,0]=4 7593 B11R1.852 CNC(=O)N1CCCCCC1 273464a_100102657272_100000185865 [0,1,0,1,0,0|2,0,0]=4 7594 B11R1.852 O=C(CF)C1CCCCCC1 1458a_100000749507_100015361967 [0,1,0,1,0,0|1,0,0]=3 7595 B11R1.852 O=C(CO)C1CCCCCC1 1458a_100000210174_100011217769 [0,1,0,1,0,0|0,0,0]=2 7596 B11R1.852 O=C(CO)N1CCCCCC1 240690a_100000185865_100000210174 [0,1,0,1,0,0|1,0,0]=3 7597 B11R1.852 O=C(CO)N1CCCCCC1 527a_100000185865_100000210174 [0,1,0,1,0,0|1,0,0]=3 7598 B11R1.852 O=C(CO)N1CCCOCC1 240690a_100000685342_100000210174 [0,1,0,1,0,0|2,0,0]=4 7599 B11R1.852 O=C(CO)N1CCCOCC1 527a_100000685342_100000210174 [0,1,0,1,0,0|2,0,0]=4 7600 B11R1.878 CC1(CCCCC1)C(=O)CF 1458a_100000762840_100015361967 [0,1,0,1,0,0|1,0,0]=3 7601 B11R1.878 CC1(CCOCC1)C(=O)CF 1458a_100000749465_100015361967 [0,1,0,1,0,0|2,0,0]=4 7602 B11R1.878 CCC(=O)C1(CCCCC1)C 1458a_100000762840_100000210202 [0,1,0,1,0,0|1,0,0]=3 7603 B11R1.878 CCC(=O)C1(CCCCC1)F 1458a_100000069003_100000210202 [0,1,0,1,0,0|2,0,0]=4 7604 B11R1.878 CCC(=O)C1(CCCCC1)O 1458a_100000242742_100000210202 [0,1,0,1,0,0|2,0,0]=4 7605 B11R1.878 CCC(=O)C1(CCOCC1)C 1458a_100000749465_100000210202 [0,1,0,1,0,0|2,0,0]=4 7606 B11R1.878 CNC(=O)C1(CCCCC1)C 11a_106832991635_100000762840 [0,1,0,1,0,0|1,0,0]=3 7607 B11R1.878 CNC(=O)C1(CCCCC1)C 1626a_100102657272_100000762840 [0,1,0,1,0,0|1,0,0]=3 7608 B11R1.878 CNC(=O)C1(CCCCC1)C 240690a_100102657272_100000762840 [0,1,0,1,0,0|1,0,0]=3 7609 B11R1.878 CNC(=O)C1(CCCCC1)C 527a_100102657272_100000762840 [0,1,0,1,0,0|1,0,0]=3 7610 B11R1.878 CNC(=O)C1(CCCCC1)F 11a_106832991635_100000069003 [0,1,0,1,0,0|2,0,0]=4 7611 B11R1.878 CNC(=O)C1(CCCCC1)F 1626a_100102657272_100000069003 [0,1,0,1,0,0|2,0,0]=4 7612 B11R1.878 CNC(=O)C1(CCCCC1)F 240690a_100102657272_100000069003 [0,1,0,1,0,0|2,0,0]=4 7613 B11R1.878 CNC(=O)C1(CCCCC1)F 527a_100102657272_100000069003 [0,1,0,1,0,0|2,0,0]=4 7614 B11R1.878 CNC(=O)C1(CCCCC1)O 240690a_100102657272_100000242742 [0,1,0,1,0,0|2,0,0]=4 7615 B11R1.878 CNC(=O)C1(CCOCC1)C 11a_106832991635_100000749465 [0,1,0,1,0,0|2,0,0]=4 7616 B11R1.878 CNC(=O)C1(CCOCC1)C 1626a_100102657272_100000749465 [0,1,0,1,0,0|2,0,0]=4 7617 B11R1.878 CNC(=O)C1(CCOCC1)C 240690a_100102657272_100000749465 [0,1,0,1,0,0|2,0,0]=4 7618 B11R1.878 CNC(=O)C1(CCOCC1)C 527a_100102657272_100000749465 [0,1,0,1,0,0|2,0,0]=4 7619 B11R1.878 O=C(CF)C1(CCCCC1)F 1458a_100000069003_100015361967 [0,1,0,1,0,0|2,0,0]=4 7620 B11R1.878 O=C(CF)C1(CCCCC1)O 1458a_100000242742_100015361967 [0,1,0,1,0,0|2,0,0]=4 7621 B11R1.1470 COC(=O)[C@@]1(CCCN1C)C 2230a_100000719487_200000210301 [0,1,0,1,0,0|1,0,0]=3 7622 B11R1.1470 COC(=O)[C@@]1(CCCN1C)C 269982a_100000719487_200000210301 [0,1,0,1,0,0|1,0,0]=3 7623 B11R1.1470 COC(=O)[C@@]1(CCCN1C)C 34a_100000719487_200000210301 [0,1,0,1,0,0|1,0,0]=3 7624 B11R1.1470 COC(=O)[C@@]1(CCCN1[13CH3])C 2230a_100000719487_200025704644 [0,1,0,1,0,0|1,0,0]=3 7625 B11R1.1470 COC(=O)[C@@]1(CCCN1[13CH3])C 269982a_100000719487_200025704644 [0,1,0,1,0,0|1,0,0]=3 7626 B11R1.1470 COC(=O)[C@@]1(CCCN1[13CH3])C 34a_100000719487_200025704644 [0,1,0,1,0,0|1,0,0]=3 7627 B11R1.159 CC1CCCC(N1C)C(=O)O 269956a_100000704260_200000210301 [0,1,0,1,0,0|0,0,0]=2 7628 B11R1.159 CC1CCCC(N1[13CH3])C(=O)O 269956a_100000704260_200025704644 [0,1,0,1,0,0|0,0,0]=2 7629 B11R1.298 CCC(C(=O)C)N1CCCC1 1458a_200015187815_200000210301 [0,1,0,1,0,0|2,0,0]=4 7630 B11R1.298 CCC(C(=O)N)N1CCCC1 2230a_100000188435_100000750255 [0,1,0,1,0,0|2,0,0]=4 7631 B11R1.298 CCC(C(=O)N)N1CCCC1 269982a_100000188435_100000750255 [0,1,0,1,0,0|2,0,0]=4 7632 B11R1.298 CCC(C(=O)[13CH3])N1CCCC1 1458a_200015187815_200025704644 [0,1,0,1,0,0|2,0,0]=4 7633 B11R1.298 CN[C@H](C(=O)O)C1CCCC1 269956a_100012017156_200000210301 [0,1,0,1,0,0|0,0,0]=2 7634 B11R1.298 [13CH3]N[C@H](C(=O)O)C1CCCC1 269956a_100012017156_200025704644 [0,1,0,1,0,0|0,0,0]=2 7635 B11R1.378 CCC(C(=O)N)N1CCC1C 269982a_100000755817_100000750255 [0,1,0,1,0,0|2,0,0]=4 7636 B11R1.378 CCC(C(=O)N)N1CCC1C 34a_100000755817_100000750255 [0,1,0,1,0,0|2,0,0]=4 7637 B11R1.473 CCC1SCC(N1C)C(=O)O 269956a_200025741920_200000210301 [0,1,0,1,0,0|1,0,0]=3 7638 B11R1.473 CCC1SCC(N1[13CH3])C(=O)O 269956a_200025741920_200025704644 [0,1,0,1,0,0|1,0,0]=3 7639 B11R1.1016 C=C[C@H](NC1CCC1)C(=O)O 269956a_100016992060_100000749161 [0,1,0,1,0,0|1,0,1]=4 7640 B11R1.1016 CCC(NC1CCC1)C(=O)N 2230a_100000749019_100000750255 [0,1,0,1,0,0|2,0,0]=4 7641 B11R1.1016 CCC(NC1CCC1)C(=O)N 34a_100000733705_100000749161 [0,1,0,1,0,0|2,0,0]=4 7642 B11R1.1016 CCC(NC1CCC1)C(=O)N 34a_100000749019_100000750255 [0,1,0,1,0,0|2,0,0]=4 7643 B11R1.1016 CCC(OC1CCC1)C(=O)N 34a_100000748187_100000750255 [0,1,0,1,0,0|2,0,0]=4 7644 B11R1.1016 CCC(SC1CCC1)C(=O)N 62a_100000750255_100000749161 [0,1,0,1,0,0|2,0,0]=4 7645 B11R1.1016 CC[C@@H](NC1CCC1)C(=O)O 269956a_100000747097_100000749161 [0,1,0,1,0,0|1,0,0]=3 7646 B11R1.1016 CC[C@@H](NC1COC1)C(=O)O 269956a_100000747097_100009818527 [0,1,0,1,0,0|2,0,0]=4 7647 B11R1.1016 NC(=O)[C@H](CO)NC1CCC1 270004a_100000729942_100000241760 [0,1,0,1,0,0|2,0,0]=4 7648 B11R1.1016 NC(=O)[C@H](CO)NC1CCC1 34a_100000729942_100000749161 [0,1,0,1,0,0|2,0,0]=4 7649 B11R1.1016 O=C(O)C(CO)NC1CCC1 269956a_100000187304_100000749161 [0,1,0,1,0,0|1,0,0]=3 7650 B11R1.1016 O=C(O)C(CO)NC1COC1 269956a_100000187304_100009818527 [0,1,0,1,0,0|2,0,0]=4 7651 B11R1.1017 C=C[C@H](NCC1CC1)C(=O)O 269956a_100016992060_100000742324 [0,1,0,1,0,0|1,0,1]=4 7652 B11R1.1017 CCC(NCC1CC1)C(=O)N 2230a_100000733705_100000742324 [0,1,0,1,0,0|2,0,0]=4 7653 B11R1.1017 CCC(NCC1CC1)C(=O)N 2230a_100000735609_100000750255 [0,1,0,1,0,0|2,0,0]=4 7654 B11R1.1017 CCC(NCC1CC1)C(=O)N 34a_100000733705_100000742324 [0,1,0,1,0,0|2,0,0]=4 7655 B11R1.1017 CCC(NCC1CC1)C(=O)N 34a_100000735609_100000750255 [0,1,0,1,0,0|2,0,0]=4 7656 B11R1.1017 CCC(OCC1CC1)C(=O)N 34a_100000211283_100000750255 [0,1,0,1,0,0|2,0,0]=4 7657 B11R1.1017 CCC(SCC1CC1)C(=O)N 62a_100000750255_100000742324 [0,1,0,1,0,0|2,0,0]=4 7658 B11R1.1017 CCC(SCC1CC1)C(=O)N 62a_100000756562_100000750255 [0,1,0,1,0,0|2,0,0]=4 7659 B11R1.1017 CC[C@@H](NCC1CC1)C(=O)O 269956a_100000747097_100000742324 [0,1,0,1,0,0|1,0,0]=3 7660 B11R1.1017 CC[C@@H](NCC1CO1)C(=O)O 269956a_100000747097_102125554688 [0,1,0,1,0,0|2,0,0]=4 7661 B11R1.1017 CC[C@@H](NCC1CS1)C(=O)O 269956a_100000747097_100000031435 [0,1,0,1,0,0|2,0,0]=4 7662 B11R1.1017 CC[C@@H](NC[C@@H]1CO1)C(=O)O 269956a_100000747097_100000745022 [0,1,0,1,0,0|2,0,0]=4 7663 B11R1.1017 NC(=O)[C@H](CO)NCC1CC1 2230a_100000729942_100000742324 [0,1,0,1,0,0|2,0,0]=4 7664 B11R1.1017 NC(=O)[C@H](CO)NCC1CC1 34a_100000729942_100000742324 [0,1,0,1,0,0|2,0,0]=4 7665 B11R1.1017 O=C(O)C(CO)NCC1CC1 269956a_100000187304_100000742324 [0,1,0,1,0,0|1,0,0]=3 7666 B11R1.1017 O=C(O)C(CO)NCC1CO1 269956a_100000187304_102125554688 [0,1,0,1,0,0|2,0,0]=4 7667 B11R1.1017 O=C(O)C(CO)NCC1CS1 269956a_100000187304_100000031435 [0,1,0,1,0,0|2,0,0]=4 7668 B11R1.1017 O=C(O)C(CO)NC[C@@H]1CO1 269956a_100000187304_100000745022 [0,1,0,1,0,0|2,0,0]=4 7669 B11R1.1064 CCC1(CCCN1C)C(=O)O 269956a_100000695297_200000210301 [0,1,0,1,0,0|1,0,0]=3 7670 B11R1.1064 CCC1(CCCN1[13CH3])C(=O)O 269956a_100000695297_200025704644 [0,1,0,1,0,0|1,0,0]=3 7671 B11R1.1074 CC(=O)C1(CCCCC1)C#N 1458a_100000745063_200000210301 [0,1,0,1,0,0|1,0,1]=4 7672 B11R1.1074 CC(=O)C1(CCOCC1)CO 1458a_100012175746_200000210301 [0,1,0,1,0,0|2,0,0]=4 7673 B11R1.1074 CNC1(CCCCC1)C(=O)N 2230a_100000746659_200000210301 [0,1,0,1,0,0|1,0,0]=3 7674 B11R1.1074 CNC1(CCCCC1)C(=O)N 34a_100000746659_200000210301 [0,1,0,1,0,0|1,0,0]=3 7675 B11R1.1074 CNC1(CCCCC1)C(=O)O 269956a_100000185090_200000210301 [0,1,0,1,0,0|0,0,0]=2 7676 B11R1.1074 CNC1(CCOCC1)C(=O)O 269956a_100015194771_200000210301 [0,1,0,1,0,0|1,0,0]=3 7677 B11R1.1074 [13CH3]C(=O)C1(CCCCC1)C#N 1458a_100000745063_200025704644 [0,1,0,1,0,0|1,0,1]=4 7678 B11R1.1074 [13CH3]C(=O)C1(CCOCC1)CO 1458a_100012175746_200025704644 [0,1,0,1,0,0|2,0,0]=4 7679 B11R1.1074 [13CH3]NC1(CCCCC1)C(=O)N 2230a_100000746659_200025704644 [0,1,0,1,0,0|1,0,0]=3 7680 B11R1.1074 [13CH3]NC1(CCCCC1)C(=O)N 34a_100000746659_200025704644 [0,1,0,1,0,0|1,0,0]=3 7681 B11R1.1074 [13CH3]NC1(CCCCC1)C(=O)O 269956a_100000185090_200025704644 [0,1,0,1,0,0|0,0,0]=2 7682 B11R1.1074 [13CH3]NC1(CCOCC1)C(=O)O 269956a_100015194771_200025704644 [0,1,0,1,0,0|1,0,0]=3 7683 B11R1.161 CC(Br)CCOC1CCC1=O 34a_100009893172_100009892977 [0,1,0,1,0,0|2,0,0]=4 7684 B11R1.161 CC(C)CCOC1CCC1=O 34a_100000210254_100009892977 [0,1,0,1,0,0|2,0,0]=4 7685 B11R1.161 CC(C)CCOC1CCC1=O 7a_100000210254_100009892977 [0,1,0,1,0,0|2,0,0]=4 7686 B11R1.161 CC(C)CCSC1CCC1=O 62a_100000210312_100009892977 [0,1,0,1,0,0|2,0,0]=4 7687 B11R1.161 CC(C)CCSC1CCC1=O 62a_100009892977_100000210312 [0,1,0,1,0,0|2,0,0]=4 7688 B11R1.161 CC(C)NCCC1CCC1=O 2230a_100138425928_200016118888 [0,1,0,1,0,0|2,0,0]=4 7689 B11R1.161 CC(C)SCCC1CCC1=O 62a_100000210206_200016118888 [0,1,0,1,0,0|2,0,0]=4 7690 B11R1.161 CC(C)SCCC1CCC1=O 62a_200016118888_100000210206 [0,1,0,1,0,0|2,0,0]=4 7691 B11R1.161 CC(O)CCSC1CCC1=O 62a_100009892977_100012276601 [0,1,0,1,0,0|2,0,0]=4 7692 B11R1.161 CC(O)CCSC1CCC1=O 62a_100012276601_100009892977 [0,1,0,1,0,0|2,0,0]=4 7693 B11R1.161 C[C@@H](N)CCOC1CCC1=O 34a_100000706166_100009892977 [0,1,0,1,0,0|2,0,0]=4 7694 B11R1.175 CC(C)N1CCC(C1)C(=O)N 2230a_100000752358_100000210206 [0,1,0,1,0,0|2,0,0]=4 7695 B11R1.175 CC(C)N1CCC(C1)C(=O)N 269982a_100000752358_100000210206 [0,1,0,1,0,0|2,0,0]=4 7696 B11R1.175 CC(C)N1CCC(C1)C(=O)N 34a_100000752358_100000210206 [0,1,0,1,0,0|2,0,0]=4 7697 B11R1.730 CC(=O)C1CCOC(C1)(C)C 1458a_100000070787_100010191092 [0,1,0,1,0,0|2,0,0]=4 7698 B11R1.730 CC(=O)N1CCCC(C1)(C)C 11a_100000716857_100015343762 [0,1,0,1,0,0|2,0,0]=4 7699 B11R1.730 CC(=O)N1CCCC(C1)(C)C 1626a_100000716857_100015343762 [0,1,0,1,0,0|2,0,0]=4 7700 B11R1.730 CC(=O)N1CCCC(C1)(C)C 240690a_100000716857_100015343762 [0,1,0,1,0,0|2,0,0]=4 7701 B11R1.730 CC(=O)N1CCCC(C1)(C)C 527a_100000716857_100103153847 [0,1,0,1,0,0|2,0,0]=4 7702 B11R1.730 CC(=O)N1CCCC(C1)(C)O 11a_100000695535_100015343762 [0,1,0,1,0,0|2,0,0]=4 7703 B11R1.730 CC(=O)N1CCCC(C1)(C)O 240690a_100000695535_100015343762 [0,1,0,1,0,0|2,0,0]=4 7704 B11R1.730 CC(=O)N1CCCC(C1)(C)O 527a_100000695535_100103153847 [0,1,0,1,0,0|2,0,0]=4 7705 B11R1.743 CC(=O)N1CC(C1)CC(C)C 11a_214813039686_100015343762 [0,1,0,1,0,0|2,0,0]=4 7706 B11R1.743 CC(=O)N1CC(C1)CC(C)C 1626a_214813039686_100015343762 [0,1,0,1,0,0|2,0,0]=4 7707 B11R1.743 CC(=O)N1CC(C1)CC(C)C 240690a_214813039686_100015343762 [0,1,0,1,0,0|2,0,0]=4 7708 B11R1.743 CC(=O)N1CC(C1)CC(C)C 527a_214813039686_100103153847 [0,1,0,1,0,0|2,0,0]=4 7709 B11R1.743 CC(C)CN1CC(C1)C(=O)N 270004a_100025753142_100000210432 [0,1,0,1,0,0|2,0,0]=4 7710 B11R1.743 CC(C)CN1CC(C1)C(=O)N 34a_100025753142_100000210624 [0,1,0,1,0,0|2,0,0]=4 7711 B11R1.743 CC(C)N[C@H]1C[C@H](C1)C(=O)O 269956a_100000738708_100000210206 [0,1,0,1,0,0|1,0,0]=3 7712 B11R1.743 CC(O)CN1CC(C1)C(=O)N 34a_100025753142_100011218427 [0,1,0,1,0,0|2,0,0]=4 7713 B11R1.743 C[C@@H](O)CN1CC(C1)C(=O)N 34a_100025753142_100009817552 [0,1,0,1,0,0|2,0,0]=4 7714 B11R2.7 O=C1CCC1N2CCCC2 269982a_100000188435_100009892977 [0,0,0,2,0,0|2,0,0]=4 7715 B11R2.845 CC(=O)C1CC2CCC1C2 1458a_100000070787_100000727232 [0,0,0,2,0,0|1,0,0]=3 7716 B11R2.845 CC(=O)C1CC2CCC1C2 1458a_100000181847_200000210301 [0,0,0,2,0,0|1,0,0]=3 7717 B11R2.845 CC(=O)N1CC2CCC1C2 11a_100000743476_100015343762 [0,0,0,2,0,0|2,0,0]=4 7718 B11R2.845 CC(=O)N1CC2CCC1C2 1626a_100000743476_100015343762 [0,0,0,2,0,0|2,0,0]=4 7719 B11R2.845 CC(=O)N1CC2CCC1C2 240690a_100000743476_100015343762 [0,0,0,2,0,0|2,0,0]=4 7720 B11R2.845 CC(=O)N1CC2CCC1C2 527a_100000743476_100103153847 [0,0,0,2,0,0|2,0,0]=4 7721 B11R2.845 [13CH3]C(=O)C1CC2CCC1C2 1458a_100000181847_200025704644 [0,0,0,2,0,0|1,0,0]=3 7722 B11R2.1868 CC(=O)N1CCC2(C1)CC2 11a_100000697357_100015343762 [0,0,0,2,0,0|2,0,0]=4 7723 B11R2.1868 CC(=O)N1CCC2(C1)CC2 1626a_100000697357_100015343762 [0,0,0,2,0,0|2,0,0]=4 7724 B11R2.1868 CC(=O)N1CCC2(C1)CC2 240690a_100000697357_100015343762 [0,0,0,2,0,0|2,0,0]=4 7725 B11R2.1868 CC(=O)N1CCC2(C1)CC2 527a_100000697357_100103153847 [0,0,0,2,0,0|2,0,0]=4 7726 B11R2.112 CC1CCN1C2CCC2=O 269982a_100000755817_100009892977 [0,0,0,2,0,0|2,0,0]=4 7727 B11R2.112 CC1CCN1C2CCC2=O 34a_100000755817_100009892977 [0,0,0,2,0,0|2,0,0]=4 7728 B11R2.362 O=C1CCC1NCC2CC2 34a_100000735609_100009892977 [0,0,0,2,0,0|2,0,0]=4 7729 B11R2.362 O=C1CCC1OCC2CC2 34a_100000211283_100009892977 [0,0,0,2,0,0|2,0,0]=4 7730 B11R2.362 O=C1CCC1SCC2CC2 62a_100000756562_100009892977 [0,0,0,2,0,0|2,0,0]=4 7731 B11R2.362 O=C1CCC1SCC2CC2 62a_100009892977_100000742324 [0,0,0,2,0,0|2,0,0]=4 7732 B11R2.512 O=C1CCC1NC2CCC2 34a_100000749019_100009892977 [0,0,0,2,0,0|2,0,0]=4 7733 B11R2.512 O=C1CCC1OC2CCC2 34a_100000748187_100009892977 [0,0,0,2,0,0|2,0,0]=4 7734 B11R2.512 O=C1CCC1SC2CCC2 62a_100009892977_100000749161 [0,0,0,2,0,0|2,0,0]=4 7735 B11R2.848 NC(=O)C1CN(C1)C2CC2 34a_100025753142_100000211595 [0,0,0,2,0,0|2,0,0]=4 7736 B11R2.1867 CC(=O)C1CC2(C1)CCC2 1458a_100012027061_200000210301 [0,0,0,2,0,0|1,0,0]=3 7737 B11R2.1867 CC(=O)N1CC2(C1)CCC2 11a_100000690493_100015343762 [0,0,0,2,0,0|2,0,0]=4 7738 B11R2.1867 CC(=O)N1CC2(C1)CCC2 1626a_100000690493_100015343762 [0,0,0,2,0,0|2,0,0]=4 7739 B11R2.1867 CC(=O)N1CC2(C1)CCC2 240690a_100000690493_100015343762 [0,0,0,2,0,0|2,0,0]=4 7740 B11R2.1867 CC(=O)N1CC2(C1)CCC2 527a_100000690493_100103153847 [0,0,0,2,0,0|2,0,0]=4 7741 B11R2.1867 [13CH3]C(=O)C1CC2(C1)CCC2 1458a_100012027061_200025704644 [0,0,0,2,0,0|1,0,0]=3 7742 B11R2.1852 CC(=O)[C@H]1[C@H]2[C@@H]1CCCC2 1458a_100153394716_200000210301 [0,0,0,2,0,0|1,0,0]=3 7743 B11R2.1852 [13CH3]C(=O)[C@H]1[C@H]2[C@@H]1CCCC2 1458a_100153394716_200025704644 [0,0,0,2,0,0|1,0,0]=3 7744 B11R0.46 C=C(C)CNC(C)CCCCC 2230a_100000211957_100000748629 [0,0,0,0,0,2|2,0,0]=4 7745 B11R0.46 C=C(C)COC(C)CCCCC 34a_100000210245_200011218191 [0,0,0,0,0,2|2,0,0]=4 7746 B11R0.46 C=C(C)COC(C)CCCCC 34a_100011215632_100000748629 [0,0,0,0,0,2|2,0,0]=4 7747 B11R0.46 C=C(C)COC(C)CCCCC 7a_100011215632_100000748629 [0,0,0,0,0,2|2,0,0]=4 7748 B11R0.46 C=C(C)CSC(C)CCCCC 62a_100000748629_200011218191 [0,0,0,0,0,2|2,0,0]=4 7749 B11R0.46 C=C(C)CSC(C)CCCCC 62a_200011218191_100000211660 [0,0,0,0,0,2|2,0,0]=4 7750 B11R0.46 C=C(F)CNC(C)CCCCC 2230a_100000211957_100009893438 [0,0,0,0,0,2|2,0,0]=4 7751 B11R0.46 C=C(F)COC(C)CCCCC 34a_100011215632_100009893438 [0,0,0,0,0,2|2,0,0]=4 7752 B11R0.46 C=C(F)COC(C)CCCCC 34a_200010262243_200011218191 [0,0,0,0,0,2|2,0,0]=4 7753 B11R0.46 C=C(F)COC(C)CCCCC 7a_100011215632_100000042424 [0,0,0,0,0,2|2,0,0]=4 7754 B11R0.46 C=C(F)CSC(C)CCCCC 62a_100000042424_200011218191 [0,0,0,0,0,2|2,0,0]=4 7755 B11R0.46 C=C(F)CSC(C)CCCCC 62a_200011218191_100000042424 [0,0,0,0,0,2|2,0,0]=4 7756 B11R0.46 CCCCCC(=NNC(=O)C)C 4a_100000189765_100000211708 [0,0,0,0,0,2|1,0,1]=4 7757 B11R0.46 CCCCCC(C)CCC(=O)C 1458a_100000034243_200000210301 [0,0,0,0,0,2|1,0,0]=3 7758 B11R0.46 CCCCCC(C)CCC(=O)[13CH3] 1458a_100000034243_200025704644 [0,0,0,0,0,2|1,0,0]=3 7759 B11R0.46 CCCCCC(C)NCC(=O)N 2230a_100000211957_100000747473 [0,0,0,0,0,2|1,0,0]=3 7760 B11R0.46 CCCCCC(C)NCC(=O)N 2230a_100000711301_200011218191 [0,0,0,0,0,2|1,0,0]=3 7761 B11R0.46 CCCCCC(C)NCC(=O)O 269956a_100016091260_200011218191 [0,0,0,0,0,2|0,0,0]=2 7762 B11R0.46 CCCCCC(C)NCC(C)O 2230a_100000210904_200011218191 [0,0,0,0,0,2|1,0,1]=4 7763 B11R0.46 CCCCCC(C)NCC(C)O 2230a_100000211957_100011218427 [0,0,0,0,0,2|1,0,1]=4 7764 B11R0.46 CCCCCC(C)NCC(C)O 270004a_100000210904_100000211708 [0,0,0,0,0,2|1,0,1]=4 7765 B11R0.46 CCCCCC(C)NCC(C)O 34a_100000210904_200011218191 [0,0,0,0,0,2|1,0,1]=4 7766 B11R0.46 CCCCCC(C)NC[C@@H](C)O 2230a_100000211957_100009817552 [0,0,0,0,0,2|1,0,1]=4 7767 B11R0.46 CCCCCC(C)OCC(=O)C 34a_100000211253_200011218191 [0,0,0,0,0,2|1,0,0]=3 7768 B11R0.46 CCCCCC(C)OCC(=O)N 34a_100011215632_100000187820 [0,0,0,0,0,2|1,0,0]=3 7769 B11R0.46 CCCCCC(C)OCC(=O)N 7a_100011215632_100000187820 [0,0,0,0,0,2|1,0,0]=3 7770 B11R0.46 CCCCCC(C)OCC(=O)[O-] 34a_100011215632_100020667443 [0,0,0,0,0,2|0,0,1]=3 7771 B11R0.46 CCCCCC(C)OCC(C)O 34a_100011215632_100011218427 [0,0,0,0,0,2|1,0,1]=4 7772 B11R0.46 CCCCCC(C)OCC(C)O 7a_100011215632_100011218427 [0,0,0,0,0,2|1,0,1]=4 7773 B11R0.46 CCCCCC(C)OC[C@@H](C)O 34a_100011215632_100009817552 [0,0,0,0,0,2|1,0,1]=4 7774 B11R0.46 CCCCCC(C)OC[C@@H](C)O 7a_100011215632_100009817552 [0,0,0,0,0,2|1,0,1]=4 7775 B11R0.46 CCCCCC(C)OC[N+](=O)[O-] 34a_100011215632_100000761209 [0,0,0,0,0,2|1,0,1]=4 7776 B11R0.46 CCCCCC(C)SCC(=O)N 62a_100000747473_200011218191 [0,0,0,0,0,2|1,0,0]=3 7777 B11R0.46 CCCCCC(C)SCC(=O)N 62a_200011218191_100000747473 [0,0,0,0,0,2|1,0,0]=3 7778 B11R0.46 CCCCCC(C)SCC(=O)[O-] 62a_100020667443_200011218191 [0,0,0,0,0,2|0,0,1]=3 7779 B11R0.46 CCCCCC(C)SCC(=O)[O-] 62a_200011218191_100020667443 [0,0,0,0,0,2|0,0,1]=3 7780 B11R0.46 CCCCCC(C)SCC(C)O 62a_100011218427_200011218191 [0,0,0,0,0,2|1,0,1]=4 7781 B11R0.46 CCCCCC(C)SCC(C)O 62a_200011218191_100011218427 [0,0,0,0,0,2|1,0,1]=4 7782 B11R0.46 CCCCCC(C)SC[C@@H](C)O 62a_100009817552_200011218191 [0,0,0,0,0,2|1,0,1]=4 7783 B11R0.46 CCCCCC(C)SC[C@@H](C)O 62a_200011218191_100009817552 [0,0,0,0,0,2|1,0,1]=4 7784 B11R0.46 CCCCCC(C)SC[N+](=O)[O-] 62a_200011218191_100000761209 [0,0,0,0,0,2|1,0,1]=4 7785 B11R0.46 CCCCCN(C)CCC(=O)C 1458a_100016987678_200000210301 [0,0,0,0,0,2|2,0,0]=4 7786 B11R0.46 CCCCCN(C)CCC(=O)C 269982a_100000223495_100000053229 [0,0,0,0,0,2|2,0,0]=4 7787 B11R0.46 CCCCCN(C)CCC(=O)N 2230a_100000223495_100000744528 [0,0,0,0,0,2|2,0,0]=4 7788 B11R0.46 CCCCCN(C)CCC(=O)N 2230a_100000730477_100000210326 [0,0,0,0,0,2|2,0,0]=4 7789 B11R0.46 CCCCCN(C)CCC(=O)N 269982a_100000223495_100000744528 [0,0,0,0,0,2|2,0,0]=4 7790 B11R0.46 CCCCCN(C)CCC(=O)[13CH3] 1458a_100016987678_200025704644 [0,0,0,0,0,2|2,0,0]=4 7791 B11R0.46 CCCCCN(C)COC(=O)C 269982a_100000223495_100000076356 [0,0,0,0,0,2|2,0,0]=4 7792 B11R0.46 CCCCNC(C)COC(=O)C 270004a_100000102301_100000000629 [0,0,0,0,0,2|2,0,0]=4 7793 B11R0.46 CCCOCC(C)CSC(=O)C 34a_100000210258_200000116872 [0,0,0,0,0,2|2,0,0]=4 7794 B11R0.46 CCCSCC(C)CSC(=O)C 62a_100000210303_200000116872 [0,0,0,0,0,2|2,0,0]=4 7795 B11R0.46 CCCSCC(C)CSC(=O)C 62a_200000116872_100000210303 [0,0,0,0,0,2|2,0,0]=4 7796 B11R0.46 COCCCC(C)OCC(=O)N 34a_200011539412_100000187820 [0,0,0,0,0,2|2,0,0]=4 7797 B11R0.46 COCCCC(C)OCC(=O)N 7a_200011539412_100000187820 [0,0,0,0,0,2|2,0,0]=4 7798 B11R0.46 COCCCC(C)OCC(=O)[O-] 34a_200011539412_100020667443 [0,0,0,0,0,2|1,0,1]=4