0 B9R0.7 C=C(C)CN[C@@H](C)C(=O)O 269956a_100000743915_100000748629 [0,0,0,0,0,0|3,0,1]=4 1 B9R0.7 CC(=O)C(C)CCC(C)C 1458a_100000070787_100011261404 [0,0,0,0,0,0|3,0,0]=3 2 B9R0.7 CC(=O)C(C)COC(C)C 34a_100000032740_100000210206 [0,0,0,0,0,0|4,0,0]=4 3 B9R0.7 CC(=O)C(C)COC(C)C 7a_100000032740_100000210206 [0,0,0,0,0,0|4,0,0]=4 4 B9R0.7 CC(=O)C(C)NCC(C)C 2230a_100000210953_100009814033 [0,0,0,0,0,0|4,0,0]=4 5 B9R0.7 CC(=O)C(C)OCC(C)C 34a_100000212229_100000210624 [0,0,0,0,0,0|4,0,0]=4 6 B9R0.7 CC(=O)C(C)SCC(C)C 62a_100000210624_100009814033 [0,0,0,0,0,0|4,0,0]=4 7 B9R0.7 CC(=O)C(C)SCC(C)C 62a_100009814033_100000210760 [0,0,0,0,0,0|4,0,0]=4 8 B9R0.7 CC(=O)N(C)CCC(C)C 11a_100000742789_100015343762 [0,0,0,0,0,0|4,0,0]=4 9 B9R0.7 CC(=O)N(C)CCC(C)C 1626a_100000742789_100015343762 [0,0,0,0,0,0|4,0,0]=4 10 B9R0.7 CC(=O)N(C)CCC(C)C 240690a_100000742789_100015343762 [0,0,0,0,0,0|4,0,0]=4 11 B9R0.7 CC(=O)N(C)CCC(C)C 527a_100000742789_100103153847 [0,0,0,0,0,0|4,0,0]=4 12 B9R0.7 CC(=O)N(C)CCN(C)C 240690a_100000225618_100015343762 [0,0,0,0,0,0|4,0,0]=4 13 B9R0.7 CC(=O)N(C)CCN(C)C 527a_100000225618_100103153847 [0,0,0,0,0,0|4,0,0]=4 14 B9R0.7 CC(C)CNC(C)C(=O)N 2230a_100000210953_100000702099 [0,0,0,0,0,0|4,0,0]=4 15 B9R0.7 CC(C)CNC(C)C(=O)N 34a_100000210953_100000702099 [0,0,0,0,0,0|4,0,0]=4 16 B9R0.7 CC(C)CNC(F)C(=O)N 2230a_100000210953_100009813875 [0,0,0,0,0,0|4,0,0]=4 17 B9R0.7 CC(C)CNC(F)C(=O)N 34a_100000210953_100009813875 [0,0,0,0,0,0|4,0,0]=4 18 B9R0.7 CC(C)CNC(F)C(=O)[O-] 34a_100000210953_100020610796 [0,0,0,0,0,0|3,0,1]=4 19 B9R0.7 CC(C)CN[C@@H](C)C(=O)O 269956a_100000743915_100000210760 [0,0,0,0,0,0|3,0,0]=3 20 B9R0.7 CC(C)CN[C@H](C)C(=O)N 2230a_100000119354_100000210760 [0,0,0,0,0,0|4,0,0]=4 21 B9R0.7 CC(C)CN[C@H](C)C(=O)N 270004a_100000119354_100000210432 [0,0,0,0,0,0|4,0,0]=4 22 B9R0.7 CC(C)CN[C@H](C)C(=O)N 34a_100000119354_100000210624 [0,0,0,0,0,0|4,0,0]=4 23 B9R0.7 CC(C)COC(C)C(=O)N 34a_100000210257_100000702099 [0,0,0,0,0,0|4,0,0]=4 24 B9R0.7 CC(C)COC(F)C(=O)N 34a_100000210257_100009813875 [0,0,0,0,0,0|4,0,0]=4 25 B9R0.7 CC(C)COC(F)C(=O)[O-] 34a_100000210257_100020610796 [0,0,0,0,0,0|3,0,1]=4 26 B9R0.7 CC(C)CO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210760 [0,0,0,0,0,0|3,0,1]=4 27 B9R0.7 CC(C)CO[C@H](C)C(=O)N 34a_100000731257_100000210624 [0,0,0,0,0,0|4,0,0]=4 28 B9R0.7 CC(C)CO[C@H](C)C(=O)N 7a_100000731257_100000210760 [0,0,0,0,0,0|4,0,0]=4 29 B9R0.7 CC(C)CSC(C)C(=O)N 62a_100000210624_100000702099 [0,0,0,0,0,0|4,0,0]=4 30 B9R0.7 CC(C)CSC(C)C(=O)N 62a_100000702099_100000210760 [0,0,0,0,0,0|4,0,0]=4 31 B9R0.7 CC(C)CSC(F)C(=O)N 62a_100000210624_100009813875 [0,0,0,0,0,0|4,0,0]=4 32 B9R0.7 CC(C)CSC(F)C(=O)N 62a_100009813875_100000210760 [0,0,0,0,0,0|4,0,0]=4 33 B9R0.7 CC(C)CSC(F)C(=O)[O-] 62a_100000210624_100020610796 [0,0,0,0,0,0|3,0,1]=4 34 B9R0.7 CC(C)CSC(F)C(=O)[O-] 62a_100020610796_100000210760 [0,0,0,0,0,0|3,0,1]=4 35 B9R0.7 CC(C)NCC(C)C(=O)O 269956a_100000749485_100000210206 [0,0,0,0,0,0|3,0,0]=3 36 B9R0.7 CC(C)NCC(F)C(=O)O 269956a_100000084737_100000210206 [0,0,0,0,0,0|3,0,0]=3 37 B9R0.7 CC(C)OC[C@H](N)C(=O)N 34a_100000729942_100000210206 [0,0,0,0,0,0|3,0,0]=3 38 B9R0.7 CC(O)CN[C@@H](C)C(=O)O 269956a_100000743915_100011218427 [0,0,0,0,0,0|4,0,0]=4 39 B9R0.7 C[C@H](NC[C@@H](C)O)C(=O)O 269956a_100000743915_100009817552 [0,0,0,0,0,0|4,0,0]=4 40 B8R0.8 CCCCC(C)C(=O)C 1458a_100000070787_200011215066 [1,0,0,0,0,0|3,0,0]=4 41 B8R0.8 CCCCC(C)C(=O)C 1458a_100000725509_200000210301 [1,0,0,0,0,0|3,0,0]=4 42 B8R0.8 CCCCC(C)C(=O)[13CH3] 1458a_100000725509_200025704644 [1,0,0,0,0,0|3,0,0]=4 43 B8R0.8 CCCCC(O)C(=O)C 1458a_100000720857_200000210301 [1,0,0,0,0,0|3,0,0]=4 44 B8R0.8 CCCCC(O)C(=O)[13CH3] 1458a_100000720857_200025704644 [1,0,0,0,0,0|3,0,0]=4 45 B8R0.8 CCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210207 [1,0,0,0,0,0|3,0,0]=4 46 B8R0.8 CCNCC(C)C(=O)O 269956a_100000749485_100000210202 [1,0,0,0,0,0|3,0,0]=4 47 B8R0.8 CCNCC(F)C(=O)O 269956a_100000084737_100000210202 [1,0,0,0,0,0|3,0,0]=4 48 B8R0.8 CCOC[C@H](N)C(=O)N 34a_100000729942_100000210202 [1,0,0,0,0,0|3,0,0]=4 49 B8R0.8 COCN[C@@H](C)C(=O)O 269956a_100000743915_100000766300 [1,0,0,0,0,0|2,1,0]=4 50 B8R0.8 CSCCC(O)C(=O)C 1458a_100000685904_200000210301 [1,0,0,0,0,0|2,0,1]=4 51 B8R0.8 CSCCC(O)C(=O)[13CH3] 1458a_100000685904_200025704644 [1,0,0,0,0,0|2,0,1]=4 52 B8R0.8 CSCN[C@@H](C)C(=O)O 269956a_100000743915_100011218213 [1,0,0,0,0,0|2,0,1]=4 53 B8R0.9 C=C[C@H](N)COC(C)C 34a_100016989147_100000210206 [1,0,0,0,0,0|3,0,0]=4 54 B8R0.28 C=C(C)CNCC(=O)O 269956a_100016091260_100000748629 [1,0,0,0,0,0|2,0,1]=4 55 B8R0.28 CC(=O)CCC=C(C)C 1458a_100000070787_100011217483 [1,0,0,0,0,0|2,0,1]=4 56 B8R0.28 CC(=O)CCCC(=O)C 1458a_100000070787_100011215641 [1,0,0,0,0,0|3,0,0]=4 57 B8R0.28 CC(=O)CCCC(=O)N 1458a_100000070787_100102525003 [1,0,0,0,0,0|3,0,0]=4 58 B8R0.28 CC(=O)CCCC(C)C 1458a_100000070787_100011214892 [1,0,0,0,0,0|2,0,0]=3 59 B8R0.28 CC(=O)CCCC(C)C 1458a_100011216857_200000210301 [1,0,0,0,0,0|2,0,0]=3 60 B8R0.28 CC(=O)CCCC(C)O 1458a_100000070787_200000718107 [1,0,0,0,0,0|3,0,0]=4 61 B8R0.28 CC(=O)CCCN(C)C 1458a_100000070787_100000695564 [1,0,0,0,0,0|2,0,0]=3 62 B8R0.28 CC(=O)CCCN(C)C 269982a_100102631434_100011215641 [1,0,0,0,0,0|2,0,0]=3 63 B8R0.28 CC(=O)CCOC(C)C 1458a_100000070787_100000211751 [1,0,0,0,0,0|3,0,0]=4 64 B8R0.28 CC(=O)CCOC(C)C 34a_100000759926_100000210206 [1,0,0,0,0,0|3,0,0]=4 65 B8R0.28 CC(=O)CCOC(C)C 7a_100000759926_100000210206 [1,0,0,0,0,0|3,0,0]=4 66 B8R0.28 CC(=O)CCSC(C)C 1458a_100000070787_100000730970 [1,0,0,0,0,0|3,0,0]=4 67 B8R0.28 CC(=O)CCSC(C)C 62a_100000053229_100000210206 [1,0,0,0,0,0|3,0,0]=4 68 B8R0.28 CC(=O)CCSC(C)C 62a_100000210206_100000053229 [1,0,0,0,0,0|3,0,0]=4 69 B8R0.28 CC(=O)COCC(C)C 1458a_100011223364_200000210301 [1,0,0,0,0,0|3,0,0]=4 70 B8R0.28 CC(=O)COCC(C)C 34a_100000211253_100000210624 [1,0,0,0,0,0|3,0,0]=4 71 B8R0.28 CC(=O)NCCC(C)C 11a_100000210545_100015343762 [1,0,0,0,0,0|3,0,0]=4 72 B8R0.28 CC(=O)NCCC(C)C 1626a_100000210545_100015343762 [1,0,0,0,0,0|3,0,0]=4 73 B8R0.28 CC(=O)NCCC(C)C 240690a_100000210545_100015343762 [1,0,0,0,0,0|3,0,0]=4 74 B8R0.28 CC(=O)NCCC(C)C 527a_100000210545_100103153847 [1,0,0,0,0,0|3,0,0]=4 75 B8R0.28 CC(=O)NCCN(C)C 2230a_100102631434_100000189650 [1,0,0,0,0,0|3,0,0]=4 76 B8R0.28 CC(=O)NCCN(C)C 240690a_100000210585_100015343762 [1,0,0,0,0,0|3,0,0]=4 77 B8R0.28 CC(=O)NCCN(C)C 269982a_100102631434_100000189650 [1,0,0,0,0,0|3,0,0]=4 78 B8R0.28 CC(=O)NCCN(C)C 527a_100000210585_100103153847 [1,0,0,0,0,0|3,0,0]=4 79 B8R0.28 CC(=O)OCCN(C)C 269982a_100102631434_100009814007 [1,0,0,0,0,0|3,0,0]=4 80 B8R0.28 CC(C)CCCC(=O)[13CH3] 1458a_100011216857_200025704644 [1,0,0,0,0,0|2,0,0]=3 81 B8R0.28 CC(C)CNCC(=O)N 2230a_100000210953_100000747473 [1,0,0,0,0,0|3,0,0]=4 82 B8R0.28 CC(C)CNCC(=O)N 2230a_100000711301_100000210760 [1,0,0,0,0,0|3,0,0]=4 83 B8R0.28 CC(C)CNCC(=O)N 34a_100000210953_100000187820 [1,0,0,0,0,0|3,0,0]=4 84 B8R0.28 CC(C)CNCC(=O)O 269956a_100016091260_100000210760 [1,0,0,0,0,0|2,0,0]=3 85 B8R0.28 CC(C)CNCC(=O)[O-] 34a_100000210953_100020667443 [1,0,0,0,0,0|2,0,1]=4 86 B8R0.28 CC(C)COCC(=O)N 34a_100000210257_100000187820 [1,0,0,0,0,0|3,0,0]=4 87 B8R0.28 CC(C)COCC(=O)[13CH3] 1458a_100011223364_200025704644 [1,0,0,0,0,0|3,0,0]=4 88 B8R0.28 CC(C)COCC(=O)[O-] 34a_100000210257_100020667443 [1,0,0,0,0,0|2,0,1]=4 89 B8R0.28 CC(C)CSCC(=O)N 62a_100000210624_100000747473 [1,0,0,0,0,0|3,0,0]=4 90 B8R0.28 CC(C)CSCC(=O)N 62a_100000747473_100000210760 [1,0,0,0,0,0|3,0,0]=4 91 B8R0.28 CC(C)CSCC(=O)[O-] 62a_100000210624_100020667443 [1,0,0,0,0,0|2,0,1]=4 92 B8R0.28 CC(C)CSCC(=O)[O-] 62a_100020667443_100000210760 [1,0,0,0,0,0|2,0,1]=4 93 B8R0.28 CC(C)NCCC(=O)N 2230a_100138425928_100000744528 [1,0,0,0,0,0|3,0,0]=4 94 B8R0.28 CC(C)NCCC(=O)N 34a_100138425928_100000731001 [1,0,0,0,0,0|3,0,0]=4 95 B8R0.28 CC(C)NOCC(=O)O 269956a_100000106656_100000210206 [1,0,0,0,0,0|3,0,0]=4 96 B8R0.28 CC(C)OCCC(=O)N 34a_100000212225_100000731001 [1,0,0,0,0,0|3,0,0]=4 97 B8R0.28 CC(C)OCCC(=O)N 34a_100000757172_100000210206 [1,0,0,0,0,0|3,0,0]=4 98 B8R0.28 CC(C)OCCC(=O)N 7a_100000757172_100000210206 [1,0,0,0,0,0|3,0,0]=4 99 B8R0.28 CC(C)SCCC(=O)N 62a_100000210206_100000744528 [1,0,0,0,0,0|3,0,0]=4 100 B8R0.28 CC(C)SCCC(=O)N 62a_100000744528_100000210206 [1,0,0,0,0,0|3,0,0]=4 101 B8R0.28 CC(O)CCCN(C)C 2230a_100102631434_200000718107 [1,0,0,0,0,0|2,0,1]=4 102 B8R0.28 CC(O)CCCN(C)C 269982a_100102631434_200000718107 [1,0,0,0,0,0|2,0,1]=4 103 B8R0.28 CC(O)CNCC(=O)O 269956a_100016091260_100011218427 [1,0,0,0,0,0|3,0,0]=4 104 B8R0.28 CN(C)CCCC(=O)N 269982a_100102631434_100102525003 [1,0,0,0,0,0|2,0,0]=3 105 B8R0.28 CN(C)CCCC(=O)O 269956a_100000719178_200000210301 [1,0,0,0,0,0|1,0,0]=2 106 B8R0.28 CN(C)CCNC(=O)N 2230a_100102631434_200000034859 [1,0,0,0,0,0|3,0,0]=4 107 B8R0.28 CN(C)CCNC(=O)N 269982a_100102631434_200000034859 [1,0,0,0,0,0|3,0,0]=4 108 B8R0.28 CN(C)CCOC(=O)N 269982a_100102631434_200011214921 [1,0,0,0,0,0|3,0,0]=4 109 B8R0.28 CN([13CH3])CCCC(=O)O 269956a_100000719178_200025704644 [1,0,0,0,0,0|1,0,0]=2 110 B8R0.28 C[C@@H](O)CNCC(=O)O 269956a_100016091260_100009817552 [1,0,0,0,0,0|3,0,0]=4 111 B10R0.13 CC(=O)C(C)C(=O)C[S+](C)C 1458a_200159257847_100000179758 [0,1,0,0,0,0|2,0,1]=4 112 B10R0.13 CC(C(=O)N)C(=O)C[S+](C)C 1458a_200159257847_100000702099 [0,1,0,0,0,0|2,0,1]=4 113 B10R0.13 CC(C)CN(C)C(C)C(=O)O 269956a_100000749554_100000210760 [0,1,0,0,0,0|3,0,0]=4 114 B10R0.13 CC(C)O[C@H](C)[C@H](N)C(=O)N 34a_100000003557_100000210206 [0,1,0,0,0,0|3,0,0]=4 115 B10R0.13 C[S+](C)CC(=O)C(F)C(=O)N 1458a_200159257847_100009813875 [0,1,0,0,0,0|2,0,1]=4 116 B10R0.13 C[S+](C)CC(=O)C(F)C(=O)[O-] 1458a_200159257847_100020610796 [0,1,0,0,0,0|1,0,2]=4 117 B10R0.43 CC(=O)C(C)(C)CCC(C)C 1458a_100000070787_200000037585 [0,1,0,0,0,0|3,0,0]=4 118 B10R0.43 CC(C)NCC(C)(C)C(=O)O 269956a_100000693527_100000210206 [0,1,0,0,0,0|3,0,0]=4 119 B10R0.43 CC(C)NCC(F)(F)C(=O)O 269956a_100000734215_100000210206 [0,1,0,0,0,0|3,0,0]=4 120 B10R0.57 C#CC(=O)C(C)CCC(C)C 1458a_100000211873_100011261404 [0,1,0,0,0,0|3,0,0]=4 121 B10R0.57 C=CC(=O)C(C)CCC(C)C 1458a_100000185746_100011261404 [0,1,0,0,0,0|3,0,0]=4 122 B10R0.57 CC(C)CCC(C)C(=O)CO 1458a_100000210174_100011261404 [0,1,0,0,0,0|2,0,0]=3 123 B10R0.57 CC(C)CCN(C)C(=O)CO 240690a_100000742789_100000210174 [0,1,0,0,0,0|3,0,0]=4 124 B10R0.57 CC(C)CCN(C)C(=O)CO 527a_100000742789_100000210174 [0,1,0,0,0,0|3,0,0]=4 125 B10R0.57 CC(C)OCC(N)C(=O)NN 34a_100016989258_100000210206 [0,1,0,0,0,0|3,0,0]=4 126 B10R0.57 CCC(=O)C(C)CCC(C)C 1458a_100000210414_100011261404 [0,1,0,0,0,0|3,0,0]=4 127 B10R0.57 CN(C)CCN(C)C(=O)CO 240690a_100000225618_100000210174 [0,1,0,0,0,0|3,0,0]=4 128 B10R0.57 CN(C)CCN(C)C(=O)CO 527a_100000225618_100000210174 [0,1,0,0,0,0|3,0,0]=4 129 B10R0.57 COC(=O)C(C)CCC(=O)C 1458a_100000070787_100000034942 [0,1,0,0,0,0|3,0,0]=4 130 B10R0.57 COC(=O)C(C)CCN(C)C 2230a_100102631434_100000034942 [0,1,0,0,0,0|2,0,0]=3 131 B10R0.57 COC(=O)C(C)CCN(C)C 269982a_100102631434_100000034942 [0,1,0,0,0,0|2,0,0]=3 132 B10R0.57 COC(=O)C(C)CNC(C)C 34a_100138425928_100000698445 [0,1,0,0,0,0|3,0,0]=4 133 B10R0.57 COC(=O)C(C)COC(C)C 34a_100000212225_100000698445 [0,1,0,0,0,0|3,0,0]=4 134 B10R0.57 COC(=O)C(C)COC(C)C 34a_100000749362_100000210206 [0,1,0,0,0,0|3,0,0]=4 135 B10R0.57 COC(=O)C(C)COC(C)C 7a_100000749362_100000210206 [0,1,0,0,0,0|3,0,0]=4 136 B10R0.57 COC(=O)C(C)CSC(C)C 62a_100000210206_100000698445 [0,1,0,0,0,0|3,0,0]=4 137 B10R0.57 COC(=O)C(C)CSC(C)C 62a_100000698445_100000210206 [0,1,0,0,0,0|3,0,0]=4 138 B10R0.57 COC(=O)C(C)NCC(C)C 2230a_100000210953_100000211248 [0,1,0,0,0,0|3,0,0]=4 139 B10R0.57 COC(=O)C(C)NCC(C)C 34a_100000210953_100000211248 [0,1,0,0,0,0|3,0,0]=4 140 B10R0.57 COC(=O)C(C)OCC(C)C 34a_100000210257_100000211248 [0,1,0,0,0,0|3,0,0]=4 141 B10R0.57 COC(=O)C(C)OCC(C)C 34a_100011215400_100000210624 [0,1,0,0,0,0|3,0,0]=4 142 B10R0.57 COC(=O)C(C)SCC(C)C 62a_100000210624_100000211248 [0,1,0,0,0,0|3,0,0]=4 143 B10R0.57 COC(=O)C(C)SCC(C)C 62a_100000211248_100000210760 [0,1,0,0,0,0|3,0,0]=4 144 B10R0.57 COC(=O)C(F)COC(C)C 34a_200009849844_100000210206 [0,1,0,0,0,0|3,0,0]=4 145 B10R0.57 COC(=O)[C@H](N)COC(C)C 34a_100000003586_100000210206 [0,1,0,0,0,0|2,0,0]=3 146 B10R0.82 CC(CN[C@H](C)CO)C(=O)O 269956a_100000749485_100016084084 [0,1,0,0,0,0|3,0,0]=4 147 B10R0.82 CC(CO)OC[C@H](N)C(=O)N 34a_100000729942_100012180447 [0,1,0,0,0,0|3,0,0]=4 148 B10R0.82 CCC(C)CN[C@@H](C)C(=O)O 269956a_100000743915_100000748023 [0,1,0,0,0,0|3,0,0]=4 149 B10R0.82 CCC(C)NCC(C)C(=O)O 269956a_100000749485_100000758301 [0,1,0,0,0,0|3,0,0]=4 150 B10R0.82 CCC(C)NCC(F)C(=O)O 269956a_100000084737_100000758301 [0,1,0,0,0,0|3,0,0]=4 151 B10R0.82 CCC(C)OC[C@H](N)C(=O)N 34a_100000729942_100011215416 [0,1,0,0,0,0|3,0,0]=4 152 B10R0.82 CC[C@H](C)CN[C@@H](C)C(=O)O 269956a_100000743915_100009816398 [0,1,0,0,0,0|3,0,0]=4 153 B10R0.82 COC(C)NCC(C)C(=O)O 269956a_100000749485_100009879195 [0,1,0,0,0,0|3,0,0]=4 154 B10R0.82 COC(C)NCC(F)C(=O)O 269956a_100000084737_100009879195 [0,1,0,0,0,0|3,0,0]=4 155 B10R0.82 C[C@@H](CO)CN[C@@H](C)C(=O)O 269956a_100000743915_100000059175 [0,1,0,0,0,0|3,0,0]=4 156 B10R0.82 C[C@H](CO)NCC(F)C(=O)O 269956a_100000084737_100016084084 [0,1,0,0,0,0|3,0,0]=4 157 B10R0.84 C=C[C@H](NCC(C)C)C(=O)O 269956a_100016992060_100000210760 [0,1,0,0,0,0|3,0,0]=4 158 B10R0.84 CC(=CCC(N[13CH3])C(=O)O)C 269956a_100102631519_200025704644 [0,1,0,0,0,0|1,0,1]=3 159 B10R0.84 CC(C)CNC(CO)C(=O)O 269956a_100000187304_100000210760 [0,1,0,0,0,0|3,0,0]=4 160 B10R0.84 CC[C@@H](NCC(C)C)C(=O)O 269956a_100000747097_100000210760 [0,1,0,0,0,0|3,0,0]=4 161 B10R0.84 CNC(CC=C(C)C)C(=O)O 269956a_100102631519_200000210301 [0,1,0,0,0,0|1,0,1]=3 162 B10R0.84 CNC(CC[S+](C)C)C(=O)O 269956a_100000210779_200000210301 [0,1,0,0,0,0|0,0,0]=1 163 B10R0.84 CN[C@@H](CCS(=O)C)C(=O)O 269956a_100015235763_200000210301 [0,1,0,0,0,0|1,0,1]=3 164 B10R0.84 CS(=O)CC[C@H](N[13CH3])C(=O)O 269956a_100015235763_200025704644 [0,1,0,0,0,0|1,0,1]=3 165 B10R0.84 C[S+](C)CCC(N[13CH3])C(=O)O 269956a_100000210779_200025704644 [0,1,0,0,0,0|0,0,0]=1 166 B10R0.92 CC(C)(C)NCC(F)C(=O)O 269956a_100000084737_100000211941 [0,1,0,0,0,0|3,0,0]=4 167 B10R0.92 CC(C)(C)OC[C@H](N)C(=O)N 34a_100000729942_100000210625 [0,1,0,0,0,0|3,0,0]=4 168 B10R0.92 CC(CNC(C)(C)C)C(=O)O 269956a_100000749485_100000211941 [0,1,0,0,0,0|3,0,0]=4 169 B10R0.92 C[C@H](NCC(C)(C)C)C(=O)O 269956a_100000743915_100011219605 [0,1,0,0,0,0|3,0,0]=4 170 B10R0.92 C[C@H](NCC(C)(C)F)C(=O)O 269956a_100000743915_100011997219 [0,1,0,0,0,0|3,0,0]=4 171 B10R0.92 C[C@H](NCC(C)(C)O)C(=O)O 269956a_100000743915_100000764493 [0,1,0,0,0,0|3,0,0]=4 172 B10R0.92 C[C@H](NC[N+](C)(C)C)C(=O)O 269956a_100000743915_200000036245 [0,1,0,0,0,0|3,0,0]=4 173 B10R0.92 C[C@H](NC[Si](C)(C)C)C(=O)O 269956a_100000743915_100000037933 [0,1,0,0,0,0|3,0,0]=4 174 B10R1.13 CC(=O)C1CCC(CC1)C 1458a_100000070787_200011216234 [0,0,0,1,0,0|3,0,0]=4 175 B10R1.13 CC(=O)C1CCN(CC1)C 1458a_100000743488_200000210301 [0,0,0,1,0,0|3,0,0]=4 176 B10R1.13 CC(=O)[C@H]1CC[C@@H](CC1)C 1458a_100009815934_200000210301 [0,0,0,1,0,0|3,0,0]=4 177 B10R1.13 CN1CCC(CC1)C(=O)N 2230a_100000210938_200000210301 [0,0,0,1,0,0|3,0,0]=4 178 B10R1.13 CN1CCC(CC1)C(=O)N 269982a_100000210938_200000210301 [0,0,0,1,0,0|3,0,0]=4 179 B10R1.13 CN1CCC(CC1)C(=O)N 34a_100000210938_200000210301 [0,0,0,1,0,0|3,0,0]=4 180 B10R1.13 CN1CCC(CC1)C(=O)O 269956a_100000210459_200000210301 [0,0,0,1,0,0|2,0,0]=3 181 B10R1.13 CN1CCC(CC1)C(=O)[13CH3] 1458a_100000743488_200025704644 [0,0,0,1,0,0|3,0,0]=4 182 B10R1.13 C[C@H]1CC[C@@H](CC1)C(=O)[13CH3] 1458a_100009815934_200025704644 [0,0,0,1,0,0|3,0,0]=4 183 B10R1.13 [13CH3]N1CCC(CC1)C(=O)N 2230a_100000210938_200025704644 [0,0,0,1,0,0|3,0,0]=4 184 B10R1.13 [13CH3]N1CCC(CC1)C(=O)N 269982a_100000210938_200025704644 [0,0,0,1,0,0|3,0,0]=4 185 B10R1.13 [13CH3]N1CCC(CC1)C(=O)N 34a_100000210938_200025704644 [0,0,0,1,0,0|3,0,0]=4 186 B10R1.13 [13CH3]N1CCC(CC1)C(=O)O 269956a_100000210459_200025704644 [0,0,0,1,0,0|2,0,0]=3 187 B10R1.117 CN(C)CCC1CCC1=O 2230a_100102631434_200016118888 [0,0,0,1,0,0|3,0,0]=4 188 B10R1.117 CN(C)CCC1CCC1=O 269982a_100102631434_200016118888 [0,0,0,1,0,0|3,0,0]=4 189 B10R1.205 CC(CNC1CC1)C(=O)O 269956a_100000749485_100000211595 [0,0,0,1,0,0|3,0,0]=4 190 B10R1.205 C[C@H](NCC1CC1)C(=O)O 269956a_100000743915_100000742324 [0,0,0,1,0,0|3,0,0]=4 191 B10R1.205 NC(=O)[C@@H](N)COC1CC1 34a_100000729942_100000211595 [0,0,0,1,0,0|3,0,0]=4 192 B10R1.205 O=C(O)C(F)CNC1CC1 269956a_100000084737_100000211595 [0,0,0,1,0,0|3,0,0]=4 193 B10R1.470 CC(=O)C1(CCN(C1)C)C 1458a_100011814562_200000210301 [0,0,0,1,0,0|3,0,0]=4 194 B10R1.470 CN1CCC(C1)(C)C(=O)[13CH3] 1458a_100011814562_200025704644 [0,0,0,1,0,0|3,0,0]=4 195 B8R0.23 CC(=O)C(C)CC(C)C 1458a_100000070787_100000731052 [0,0,0,0,1,0|3,0,0]=4 196 B8R0.23 CC(=O)C(C)CN(C)C 1458a_200015186601_200000210301 [0,0,0,0,1,0|3,0,0]=4 197 B8R0.23 CC(=O)[C@@H](O)CC(C)C 1458a_100012027011_200000210301 [0,0,0,0,1,0|3,0,0]=4 198 B8R0.23 CC(C)C[C@H](O)C(=O)[13CH3] 1458a_100012027011_200025704644 [0,0,0,0,1,0|3,0,0]=4 199 B8R0.23 CC(C)N[C@@H](C)C(=O)O 269956a_100000743915_100000210206 [0,0,0,0,1,0|3,0,0]=4 200 B8R0.23 CC(CN(C)C)C(=O)[13CH3] 1458a_200015186601_200025704644 [0,0,0,0,1,0|3,0,0]=4 201 B10R0.96 CC(=O)NC(C)CCC(C)C 11a_100138410893_100015343762 [0,0,0,0,0,1|3,0,0]=4 202 B10R0.96 CC(=O)NC(C)CCC(C)C 1626a_100138410893_100015343762 [0,0,0,0,0,1|3,0,0]=4 203 B10R0.96 CC(=O)NC(C)CCC(C)C 240690a_100138410893_100015343762 [0,0,0,0,0,1|3,0,0]=4 204 B10R0.96 CC(=O)NC(C)CCC(C)C 527a_100138410893_100103153847 [0,0,0,0,0,1|3,0,0]=4 205 B10R0.96 CC(C)CCN(C)CC(=O)O 269956a_100000746989_100000210312 [0,0,0,0,0,1|3,0,0]=4 206 B10R0.96 CC(C)NCC(O)CC(=O)O 269956a_100011218706_100000210206 [0,0,0,0,0,1|3,0,0]=4 207 B10R0.96 CN(C)CCN(C)CC(=O)O 269956a_100000746989_100000755713 [0,0,0,0,0,1|3,0,0]=4 208 B10R0.96 C[S+](C)CCC(=O)CC(=O)N 1458a_100009452791_100000187820 [0,0,0,0,0,1|2,0,1]=4 209 B10R0.96 C[S+](C)CCC(=O)CC(=O)[O-] 1458a_100009452791_100020667443 [0,0,0,0,0,1|1,0,2]=4 210 B10R0.98 C=C(C)CCN[C@@H](C)C(=O)O 269956a_100000743915_100000730704 [0,0,0,0,0,1|2,0,1]=4 211 B10R0.98 C=C(C)CNCC(C)C(=O)O 269956a_100000749485_100000748629 [0,0,0,0,0,1|2,0,1]=4 212 B10R0.98 C=C(C)CNCC(F)C(=O)O 269956a_100000084737_100000748629 [0,0,0,0,0,1|2,0,1]=4 213 B10R0.98 C=C(C)COC[C@H](N)C(=O)N 34a_100000729942_100000748629 [0,0,0,0,0,1|2,0,1]=4 214 B10R0.98 CC(=CCN[C@@H](C)C(=O)O)C 269956a_100000743915_100000761012 [0,0,0,0,0,1|2,0,1]=4 215 B10R0.98 CC(=O)C(C)COCC(C)C 34a_100000032740_100000210624 [0,0,0,0,0,1|3,0,0]=4 216 B10R0.98 CC(=O)C(C)COCC(C)C 7a_100000032740_100000210760 [0,0,0,0,0,1|3,0,0]=4 217 B10R0.98 CC(=O)C(C)OCCC(C)C 34a_100000212229_100000210312 [0,0,0,0,0,1|3,0,0]=4 218 B10R0.98 CC(=O)C(C)OCCC(C)C 7a_100000210254_100000179758 [0,0,0,0,0,1|3,0,0]=4 219 B10R0.98 CC(=O)C(C)SCCC(C)C 62a_100000210312_100009814033 [0,0,0,0,0,1|3,0,0]=4 220 B10R0.98 CC(=O)C(C)SCCC(C)C 62a_100009814033_100000210312 [0,0,0,0,0,1|3,0,0]=4 221 B10R0.98 CC(=O)C(C)SCCN(C)C 62a_100009814033_100000755713 [0,0,0,0,0,1|3,0,0]=4 222 B10R0.98 CC(=O)CCN[C@@H](C)C(=O)O 269956a_100000743915_100000053229 [0,0,0,0,0,1|3,0,0]=4 223 B10R0.98 CC(C)CCN[C@@H](C)C(=O)O 269956a_100000743915_100000210312 [0,0,0,0,0,1|2,0,0]=3 224 B10R0.98 CC(C)CCN[C@H](C)C(=O)N 2230a_100000119354_100000210312 [0,0,0,0,0,1|3,0,0]=4 225 B10R0.98 CC(C)CCN[C@H](C)C(=O)N 34a_100000119354_100000210312 [0,0,0,0,0,1|3,0,0]=4 226 B10R0.98 CC(C)CCOC(C)C(=O)N 34a_100000210254_100000702099 [0,0,0,0,0,1|3,0,0]=4 227 B10R0.98 CC(C)CCOC(C)C(=O)N 7a_100000210254_100000702099 [0,0,0,0,0,1|3,0,0]=4 228 B10R0.98 CC(C)CCOC(F)C(=O)N 34a_100000210254_100009813875 [0,0,0,0,0,1|3,0,0]=4 229 B10R0.98 CC(C)CCOC(F)C(=O)N 7a_100000210254_100009813875 [0,0,0,0,0,1|3,0,0]=4 230 B10R0.98 CC(C)CCOC(F)C(=O)[O-] 34a_100000210254_100020610796 [0,0,0,0,0,1|2,0,1]=4 231 B10R0.98 CC(C)CCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210626 [0,0,0,0,0,1|2,0,1]=4 232 B10R0.98 CC(C)CCO[C@H](C)C(=O)N 34a_100000731257_100000210312 [0,0,0,0,0,1|3,0,0]=4 233 B10R0.98 CC(C)CCO[C@H](C)C(=O)N 7a_100000731257_100000210626 [0,0,0,0,0,1|3,0,0]=4 234 B10R0.98 CC(C)CCSC(C)C(=O)N 62a_100000210312_100000702099 [0,0,0,0,0,1|3,0,0]=4 235 B10R0.98 CC(C)CCSC(C)C(=O)N 62a_100000702099_100000210312 [0,0,0,0,0,1|3,0,0]=4 236 B10R0.98 CC(C)CCSC(F)C(=O)N 62a_100000210312_100009813875 [0,0,0,0,0,1|3,0,0]=4 237 B10R0.98 CC(C)CCSC(F)C(=O)N 62a_100009813875_100000210312 [0,0,0,0,0,1|3,0,0]=4 238 B10R0.98 CC(C)CCSC(F)C(=O)[O-] 62a_100000210312_100020610796 [0,0,0,0,0,1|2,0,1]=4 239 B10R0.98 CC(C)CCSC(F)C(=O)[O-] 62a_100020610796_100000210312 [0,0,0,0,0,1|2,0,1]=4 240 B10R0.98 CC(C)CNCC(C)C(=O)O 269956a_100000749485_100000210760 [0,0,0,0,0,1|2,0,0]=3 241 B10R0.98 CC(C)CNCC(F)C(=O)O 269956a_100000084737_100000210760 [0,0,0,0,0,1|2,0,0]=3 242 B10R0.98 CC(C)COC[C@H](N)C(=O)N 34a_100000729942_100000210624 [0,0,0,0,0,1|2,0,0]=3 243 B10R0.98 CC(C)OCN[C@@H](C)C(=O)O 269956a_100000743915_100000709892 [0,0,0,0,0,1|3,0,0]=4 244 B10R0.98 CC(CNC[C@@H](C)O)C(=O)O 269956a_100000749485_100009817552 [0,0,0,0,0,1|3,0,0]=4 245 B10R0.98 CC(O)CCN[C@@H](C)C(=O)O 269956a_100000743915_100012276601 [0,0,0,0,0,1|3,0,0]=4 246 B10R0.98 CC(O)CNCC(C)C(=O)O 269956a_100000749485_100011218427 [0,0,0,0,0,1|3,0,0]=4 247 B10R0.98 CC(O)CNCC(F)C(=O)O 269956a_100000084737_100011218427 [0,0,0,0,0,1|3,0,0]=4 248 B10R0.98 CC(O)COC[C@H](N)C(=O)N 34a_100000729942_100011218427 [0,0,0,0,0,1|3,0,0]=4 249 B10R0.98 CC(SCCN(C)C)C(=O)N 62a_100000702099_100000755713 [0,0,0,0,0,1|3,0,0]=4 250 B10R0.98 CN(C)CCSC(F)C(=O)N 62a_100009813875_100000755713 [0,0,0,0,0,1|3,0,0]=4 251 B10R0.98 CN(C)CCSC(F)C(=O)[O-] 62a_100020610796_100000755713 [0,0,0,0,0,1|2,0,1]=4 252 B10R0.98 C[C@@H](O)CNCC(F)C(=O)O 269956a_100000084737_100009817552 [0,0,0,0,0,1|3,0,0]=4 253 B10R0.98 C[C@@H](O)COC[C@H](N)C(=O)N 34a_100000729942_100009817552 [0,0,0,0,0,1|3,0,0]=4 254 B10R0.98 C[C@@H](OCCN(C)C)C(=O)N 7a_100000731257_100000755713 [0,0,0,0,0,1|3,0,0]=4 255 B10R0.98 C[C@H](NCCN(C)C)C(=O)O 269956a_100000743915_100000755713 [0,0,0,0,0,1|2,0,0]=3 256 B10R0.98 C[C@H](OCCN(C)C)C(=O)[O-] 7a_217856618621_100000755713 [0,0,0,0,0,1|2,0,1]=4 257 B7R0.4 C=CCCCN(C)C 2230a_100102631434_100011713584 [2,0,0,0,0,0|2,0,0]=4 258 B7R0.4 C=CCCCN(C)C 269982a_100102631434_100000757094 [2,0,0,0,0,0|2,0,0]=4 259 B7R0.4 CC(=O)CCCO[13CH3] 34a_100000759063_200025704644 [2,0,0,0,0,0|1,1,0]=4 260 B7R0.4 CC(=O)CCCO[13CH3] 7a_100000759063_200025704644 [2,0,0,0,0,0|1,1,0]=4 261 B7R0.4 CC(=O)CCCS[13CH3] 62a_100011215641_200025704644 [2,0,0,0,0,0|1,0,1]=4 262 B7R0.4 CC(=O)CCCS[13CH3] 62a_200025704644_100011215641 [2,0,0,0,0,0|1,0,1]=4 263 B7R0.4 CC(C)CNCC=O 2230a_100000210953_200015260668 [2,0,0,0,0,0|2,0,0]=4 264 B7R0.4 CC(C)CNCC=O 34a_100000210953_200009817547 [2,0,0,0,0,0|2,0,0]=4 265 B7R0.4 CC(C)COCC=O 34a_100000210257_200009817547 [2,0,0,0,0,0|2,0,0]=4 266 B7R0.4 CC(C)CSCC=O 62a_100000210624_200015260668 [2,0,0,0,0,0|2,0,0]=4 267 B7R0.4 CC(C)CSCC=O 62a_200015260668_100000210760 [2,0,0,0,0,0|2,0,0]=4 268 B7R0.4 CCCCCC(=O)C 1458a_100000070787_100000210326 [2,0,0,0,0,0|2,0,0]=4 269 B7R0.4 CCCCCC(=O)C 1458a_100000212188_200000210301 [2,0,0,0,0,0|2,0,0]=4 270 B7R0.4 CCCCCC(=O)[13CH3] 1458a_100000212188_200025704644 [2,0,0,0,0,0|2,0,0]=4 271 B7R0.4 CCCNCC(=O)O 269956a_100016091260_100000210207 [2,0,0,0,0,0|2,0,0]=4 272 B7R0.4 CN(C)CCCC=O 2230a_100102631434_200011292268 [2,0,0,0,0,0|1,0,0]=3 273 B7R0.4 CN(C)CCCC=O 269982a_100102631434_200011292268 [2,0,0,0,0,0|1,0,0]=3 274 B7R0.4 CN(C)CCCCO 2230a_100000717598_200000210301 [2,0,0,0,0,0|1,0,1]=4 275 B7R0.4 CN(C)CCCCO 2230a_100102631434_100000210776 [2,0,0,0,0,0|1,0,1]=4 276 B7R0.4 CN(C)CCCCO 269982a_100000717598_200000210301 [2,0,0,0,0,0|1,0,1]=4 277 B7R0.4 CN(C)CCCCO 269982a_100102631434_100000210776 [2,0,0,0,0,0|1,0,1]=4 278 B7R0.4 CN([13CH3])CCCCO 2230a_100000717598_200025704644 [2,0,0,0,0,0|1,0,1]=4 279 B7R0.4 CN([13CH3])CCCCO 269982a_100000717598_200025704644 [2,0,0,0,0,0|1,0,1]=4 280 B7R0.4 CNCCCC(=O)C 34a_100102657272_100000685027 [2,0,0,0,0,0|2,0,0]=4 281 B7R0.4 CNCCCC(=O)C 7a_106832991635_100011215641 [2,0,0,0,0,0|2,0,0]=4 282 B7R0.4 CNCCCC(=O)N 34a_100000739312_200000210301 [2,0,0,0,0,0|2,0,0]=4 283 B7R0.4 CNCCCC(=O)N 34a_100102657272_100102525003 [2,0,0,0,0,0|2,0,0]=4 284 B7R0.4 CNCCCC(=O)N 7a_106832991635_100102525003 [2,0,0,0,0,0|2,0,0]=4 285 B7R0.4 COCCCC(=O)C 1458a_100000070787_100000740836 [2,0,0,0,0,0|1,1,0]=4 286 B7R0.4 COCCCC(=O)C 1458a_100000741012_200000210301 [2,0,0,0,0,0|1,1,0]=4 287 B7R0.4 COCCCC(=O)C 34a_100000759063_200000210301 [2,0,0,0,0,0|1,1,0]=4 288 B7R0.4 COCCCC(=O)C 34a_100138415774_100000685027 [2,0,0,0,0,0|1,1,0]=4 289 B7R0.4 COCCCC(=O)C 7a_100000759063_200000210301 [2,0,0,0,0,0|1,1,0]=4 290 B7R0.4 COCCCC(=O)N 34a_100138415774_100102525003 [2,0,0,0,0,0|1,1,0]=4 291 B7R0.4 COCCCC(=O)[13CH3] 1458a_100000741012_200025704644 [2,0,0,0,0,0|1,1,0]=4 292 B7R0.4 COCNCC(=O)O 269956a_100016091260_100000766300 [2,0,0,0,0,0|1,1,0]=4 293 B7R0.4 CSCCCC(=O)C 1458a_100000173376_200000210301 [2,0,0,0,0,0|1,0,1]=4 294 B7R0.4 CSCCCC(=O)C 62a_100011215641_200000210301 [2,0,0,0,0,0|1,0,1]=4 295 B7R0.4 CSCCCC(=O)C 62a_200000210301_100011215641 [2,0,0,0,0,0|1,0,1]=4 296 B7R0.4 CSCCCC(=O)N 62a_100102525003_200000210301 [2,0,0,0,0,0|1,0,1]=4 297 B7R0.4 CSCCCC(=O)N 62a_200000210301_100102525003 [2,0,0,0,0,0|1,0,1]=4 298 B7R0.4 CSCCCC(=O)[13CH3] 1458a_100000173376_200025704644 [2,0,0,0,0,0|1,0,1]=4 299 B7R0.4 CSCNCC(=O)O 269956a_100016091260_100011218213 [2,0,0,0,0,0|1,0,1]=4 300 B7R0.4 [13CH3]NCCCC(=O)N 34a_100000739312_200025704644 [2,0,0,0,0,0|2,0,0]=4 301 B7R0.4 [13CH3]SCCCC(=O)N 62a_100102525003_200025704644 [2,0,0,0,0,0|1,0,1]=4 302 B7R0.4 [13CH3]SCCCC(=O)N 62a_200025704644_100102525003 [2,0,0,0,0,0|1,0,1]=4 303 B7R0.5 CC(CN[13CH3])C(=O)O 269956a_100000749485_200025704644 [2,0,0,0,0,0|2,0,0]=4 304 B7R0.5 CCCC(C)C(=O)C 1458a_100000070787_100000766640 [2,0,0,0,0,0|2,0,0]=4 305 B7R0.5 CCCC(C)C(=O)C 1458a_100000210906_200000210301 [2,0,0,0,0,0|2,0,0]=4 306 B7R0.5 CCCC(C)C(=O)[13CH3] 1458a_100000210906_200025704644 [2,0,0,0,0,0|2,0,0]=4 307 B7R0.5 CCC[C@H](O)C(=O)C 1458a_100009822183_200000210301 [2,0,0,0,0,0|2,0,0]=4 308 B7R0.5 CCC[C@H](O)C(=O)[13CH3] 1458a_100009822183_200025704644 [2,0,0,0,0,0|2,0,0]=4 309 B7R0.5 CCN[C@@H](C)C(=O)O 269956a_100000743915_100000210202 [2,0,0,0,0,0|2,0,0]=4 310 B7R0.5 CNCC(C)C(=O)O 269956a_100000749485_200000210301 [2,0,0,0,0,0|2,0,0]=4 311 B7R0.5 CNCC(F)C(=O)O 269956a_100000084737_200000210301 [2,0,0,0,0,0|2,0,0]=4 312 B7R0.5 COC[C@H](N)C(=O)N 34a_100000729942_200000210301 [2,0,0,0,0,0|1,1,0]=4 313 B7R0.5 [13CH3]NCC(F)C(=O)O 269956a_100000084737_200025704644 [2,0,0,0,0,0|2,0,0]=4 314 B7R0.5 [13CH3]OC[C@H](N)C(=O)N 34a_100000729942_200025704644 [2,0,0,0,0,0|1,1,0]=4 315 B7R0.6 CC(=O)CC[S+](C)C 1458a_100009452791_200000210301 [2,0,0,0,0,0|1,0,1]=4 316 B7R0.6 CC(O)CCN(C)C 2230a_100102631434_100012276601 [2,0,0,0,0,0|2,0,0]=4 317 B7R0.6 CC(O)CCN(C)C 269982a_100102631434_100012276601 [2,0,0,0,0,0|2,0,0]=4 318 B7R0.6 CN(C)CCC(=O)N 2230a_100000730477_200000210301 [2,0,0,0,0,0|1,0,1]=4 319 B7R0.6 CN(C)CCC(=O)N 2230a_100102631434_100000744528 [2,0,0,0,0,0|1,0,1]=4 320 B7R0.6 CN(C)CCC(=O)N 269982a_100102631434_100000744528 [2,0,0,0,0,0|1,0,1]=4 321 B7R0.6 CN([13CH3])CCC(=O)N 2230a_100000730477_200025704644 [2,0,0,0,0,0|1,0,1]=4 322 B7R0.6 C[S+](C)CCC(=O)[13CH3] 1458a_100009452791_200025704644 [2,0,0,0,0,0|1,0,1]=4 323 B9R0.8 CCCCC(C)C(=O)CO 1458a_100000210174_200011215066 [1,1,0,0,0,0|2,0,0]=4 324 B9R0.8 CCOC[C@@H](N)C(=O)OC 34a_100000003586_100000210202 [1,1,0,0,0,0|2,0,0]=4 325 B9R0.8 CNCCC(C)C(=O)OC 2230a_106832991635_100000034942 [1,1,0,0,0,0|2,0,0]=4 326 B9R0.8 CNCCC(C)C(=O)OC 34a_100102657272_100000034942 [1,1,0,0,0,0|2,0,0]=4 327 B9R0.8 CNCCC(C)C(=O)OC 7a_106832991635_100000034942 [1,1,0,0,0,0|2,0,0]=4 328 B9R0.8 COC(=O)C(C)CCSC 62a_100000034942_200000210301 [1,1,0,0,0,0|1,0,1]=4 329 B9R0.8 COC(=O)C(C)CCSC 62a_200000210301_100000034942 [1,1,0,0,0,0|1,0,1]=4 330 B9R0.8 COC(=O)C(C)CCS[13CH3] 62a_100000034942_200025704644 [1,1,0,0,0,0|1,0,1]=4 331 B9R0.8 COC(=O)C(C)CCS[13CH3] 62a_200025704644_100000034942 [1,1,0,0,0,0|1,0,1]=4 332 B9R0.8 COCCC(C)C(=O)OC 34a_100138415774_100000034942 [1,1,0,0,0,0|1,1,0]=4 333 B9R0.13 CCCCC(NC)C(=O)N 2230a_106832991635_100000748834 [1,1,0,0,0,0|2,0,0]=4 334 B9R0.13 CCCCC(NC)C(=O)N 34a_100102657272_100000748834 [1,1,0,0,0,0|2,0,0]=4 335 B9R0.13 CCCCC(NC)C(=O)N 7a_106832991635_100000748834 [1,1,0,0,0,0|2,0,0]=4 336 B9R0.13 CCCC[C@H](NC)C(=O)N 2230a_100000124899_200000210301 [1,1,0,0,0,0|2,0,0]=4 337 B9R0.13 CCCC[C@H](NC)C(=O)N 34a_100000124899_200000210301 [1,1,0,0,0,0|2,0,0]=4 338 B9R0.13 CCCC[C@H](N[13CH3])C(=O)N 2230a_100000124899_200025704644 [1,1,0,0,0,0|2,0,0]=4 339 B9R0.13 CCCC[C@H](N[13CH3])C(=O)N 34a_100000124899_200025704644 [1,1,0,0,0,0|2,0,0]=4 340 B9R0.13 CN[C@@H](CCSC)C(=O)N 2230a_100000119342_200000210301 [1,1,0,0,0,0|1,0,1]=4 341 B9R0.13 CN[C@@H](CCSC)C(=O)N 34a_100000119342_200000210301 [1,1,0,0,0,0|1,0,1]=4 342 B9R0.13 CN[C@@H](CCSC)C(=O)O 269956a_100000743919_200000210301 [1,1,0,0,0,0|0,0,1]=3 343 B9R0.13 CN[C@@H](CC[Se]C)C(=O)O 269956a_100020619752_200000210301 [1,1,0,0,0,0|0,1,0]=3 344 B9R0.13 CSCC[C@H](N[13CH3])C(=O)N 2230a_100000119342_200025704644 [1,1,0,0,0,0|1,0,1]=4 345 B9R0.13 CSCC[C@H](N[13CH3])C(=O)N 34a_100000119342_200025704644 [1,1,0,0,0,0|1,0,1]=4 346 B9R0.13 CSCC[C@H](N[13CH3])C(=O)O 269956a_100000743919_200025704644 [1,1,0,0,0,0|0,0,1]=3 347 B9R0.13 C[Se]CC[C@H](N[13CH3])C(=O)O 269956a_100020619752_200025704644 [1,1,0,0,0,0|0,1,0]=3 348 B9R0.47 CCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210211 [1,1,0,0,0,0|2,0,0]=4 349 B9R0.47 CCCNCC(C)C(=O)O 269956a_100000749485_100000210207 [1,1,0,0,0,0|2,0,0]=4 350 B9R0.47 CCCNCC(F)C(=O)O 269956a_100000084737_100000210207 [1,1,0,0,0,0|2,0,0]=4 351 B9R0.47 CCCOC[C@H](N)C(=O)N 34a_100000729942_100000210303 [1,1,0,0,0,0|2,0,0]=4 352 B9R0.47 COCCN[C@@H](C)C(=O)O 269956a_100000743915_100000233755 [1,1,0,0,0,0|1,1,0]=4 353 B9R0.47 COCNCC(C)C(=O)O 269956a_100000749485_100000766300 [1,1,0,0,0,0|1,1,0]=4 354 B9R0.47 COCNCC(F)C(=O)O 269956a_100000084737_100000766300 [1,1,0,0,0,0|1,1,0]=4 355 B9R0.47 CSCCN[C@@H](C)C(=O)O 269956a_100000743915_100000212216 [1,1,0,0,0,0|1,0,1]=4 356 B9R0.47 CSCNCC(C)C(=O)O 269956a_100000749485_100011218213 [1,1,0,0,0,0|1,0,1]=4 357 B9R0.47 CSCNCC(F)C(=O)O 269956a_100000084737_100011218213 [1,1,0,0,0,0|1,0,1]=4 358 B9R0.47 CSCOC[C@H](N)C(=O)N 34a_100000729942_100011218213 [1,1,0,0,0,0|1,0,1]=4 359 B9R0.1 C#CC(=O)CCCC(C)C 1458a_100000211873_100011214892 [1,1,0,0,0,0|2,0,0]=4 360 B9R0.1 C#CC(=O)CCCN(C)C 1458a_100000211873_100000695564 [1,1,0,0,0,0|2,0,0]=4 361 B9R0.1 C=CC(=O)CCCC(C)C 1458a_100000185746_100011214892 [1,1,0,0,0,0|2,0,0]=4 362 B9R0.1 C=CC(=O)CCCN(C)C 1458a_100000185746_100000695564 [1,1,0,0,0,0|2,0,0]=4 363 B9R0.1 CC(=CCCC(=O)CO)C 1458a_100000210174_100011217483 [1,1,0,0,0,0|1,0,1]=4 364 B9R0.1 CC(=O)CCCC(=O)CO 1458a_100000210174_100011215641 [1,1,0,0,0,0|2,0,0]=4 365 B9R0.1 CC(C)CCCC(=O)CF 1458a_100011216857_100015361967 [1,1,0,0,0,0|2,0,0]=4 366 B9R0.1 CC(C)CCCC(=O)CO 1458a_100000210174_100011214892 [1,1,0,0,0,0|1,0,0]=3 367 B9R0.1 CC(C)CCNC(=O)CO 240690a_100000210545_100000210174 [1,1,0,0,0,0|2,0,0]=4 368 B9R0.1 CC(C)CCNC(=O)CO 527a_100000210545_100000210174 [1,1,0,0,0,0|2,0,0]=4 369 B9R0.1 CC(C)OCCC(=O)CO 1458a_100000210174_100000211751 [1,1,0,0,0,0|2,0,0]=4 370 B9R0.1 CC(C)SCCC(=O)CO 1458a_100000210174_100000730970 [1,1,0,0,0,0|2,0,0]=4 371 B9R0.1 CC(CCCC(=O)[O-])O[13CH3] 7a_100000761597_200025704644 [1,1,0,0,0,0|1,0,1]=4 372 B9R0.1 CC(O)CCCC(=O)CO 1458a_100000210174_200000718107 [1,1,0,0,0,0|2,0,0]=4 373 B9R0.1 CCC(=O)CCCC(C)C 1458a_100000210414_100011214892 [1,1,0,0,0,0|2,0,0]=4 374 B9R0.1 CCC(=O)CCCC(C)C 1458a_100011216857_100000210202 [1,1,0,0,0,0|2,0,0]=4 375 B9R0.1 CCC(=O)CCCN(C)C 1458a_100000210414_100000695564 [1,1,0,0,0,0|2,0,0]=4 376 B9R0.1 CCC(C)CNCC(=O)O 269956a_100016091260_100000748023 [1,1,0,0,0,0|2,0,0]=4 377 B9R0.1 CCN(C)CCCC(=O)C 1458a_100000070787_100015186262 [1,1,0,0,0,0|2,0,0]=4 378 B9R0.1 CCN(C)CCCC(=O)C 269982a_100000225621_100011215641 [1,1,0,0,0,0|2,0,0]=4 379 B9R0.1 CCN(C)CCCC(=O)N 269982a_100000225621_100102525003 [1,1,0,0,0,0|2,0,0]=4 380 B9R0.1 CCN(C)CCCC(=O)O 269956a_100000719178_100000210202 [1,1,0,0,0,0|1,0,0]=3 381 B9R0.1 CC[C@H](C)CNCC(=O)O 269956a_100016091260_100009816398 [1,1,0,0,0,0|2,0,0]=4 382 B9R0.1 CN(C)CCCC(=O)CO 1458a_100000210174_100000695564 [1,1,0,0,0,0|1,0,0]=3 383 B9R0.1 CN(C)CCNC(=O)CO 240690a_100000210585_100000210174 [1,1,0,0,0,0|2,0,0]=4 384 B9R0.1 CN(C)CCNC(=O)CO 527a_100000210585_100000210174 [1,1,0,0,0,0|2,0,0]=4 385 B9R0.1 CN(CF)CCCC(=O)O 269956a_100000719178_100015361967 [1,1,0,0,0,0|1,0,0]=3 386 B9R0.1 CNC(=O)CCCC(C)C 11a_106832991635_100011216857 [1,1,0,0,0,0|2,0,0]=4 387 B9R0.1 CNC(=O)CCCC(C)C 1626a_100102657272_100011216857 [1,1,0,0,0,0|2,0,0]=4 388 B9R0.1 CNC(=O)CCCC(C)C 240690a_100102657272_100011216857 [1,1,0,0,0,0|2,0,0]=4 389 B9R0.1 CNC(=O)CCCC(C)C 527a_100102657272_100011216857 [1,1,0,0,0,0|2,0,0]=4 390 B9R0.1 CNC(=O)CCCN(C)C 11a_106832991635_100000740757 [1,1,0,0,0,0|2,0,0]=4 391 B9R0.1 CNC(=O)CCCN(C)C 2230a_100102631434_100000741757 [1,1,0,0,0,0|2,0,0]=4 392 B9R0.1 CNC(=O)CCCN(C)C 240690a_100102657272_100000740757 [1,1,0,0,0,0|2,0,0]=4 393 B9R0.1 CNC(=O)CCCN(C)C 269982a_100102631434_100000741757 [1,1,0,0,0,0|2,0,0]=4 394 B9R0.1 COC(=O)CCCC(=O)C 1458a_100000070787_100011218270 [1,1,0,0,0,0|2,0,0]=4 395 B9R0.1 COC(=O)CCCC(=O)C 1458a_100000239890_200000210301 [1,1,0,0,0,0|2,0,0]=4 396 B9R0.1 COC(=O)CCCC(=O)[13CH3] 1458a_100000239890_200025704644 [1,1,0,0,0,0|2,0,0]=4 397 B9R0.1 COC(=O)CCCN(C)C 2230a_100102631434_100011218270 [1,1,0,0,0,0|1,0,0]=3 398 B9R0.1 COC(=O)CCCN(C)C 269982a_100000739225_200000210301 [1,1,0,0,0,0|1,0,0]=3 399 B9R0.1 COC(=O)CCCN(C)C 269982a_100102631434_100011218270 [1,1,0,0,0,0|1,0,0]=3 400 B9R0.1 COC(=O)CCCN(C)[13CH3] 269982a_100000739225_200025704644 [1,1,0,0,0,0|1,0,0]=3 401 B9R0.1 COC(=O)CCNC(C)C 2230a_100138425928_100000204255 [1,1,0,0,0,0|2,0,0]=4 402 B9R0.1 COC(=O)CCNC(C)C 34a_100138425928_100000742370 [1,1,0,0,0,0|2,0,0]=4 403 B9R0.1 COC(=O)CCOC(C)C 34a_100000212225_100000742370 [1,1,0,0,0,0|2,0,0]=4 404 B9R0.1 COC(=O)CCSC(C)C 62a_100000204255_100000210206 [1,1,0,0,0,0|2,0,0]=4 405 B9R0.1 COC(=O)CCSC(C)C 62a_100000210206_100000204255 [1,1,0,0,0,0|2,0,0]=4 406 B9R0.1 COC(=O)CNCC(C)C 2230a_100000210953_100000747449 [1,1,0,0,0,0|2,0,0]=4 407 B9R0.1 COC(=O)CNCC(C)C 34a_100000210953_100000747449 [1,1,0,0,0,0|2,0,0]=4 408 B9R0.1 COC(=O)COCC(C)C 34a_100000210257_100000747449 [1,1,0,0,0,0|2,0,0]=4 409 B9R0.1 COC(=O)CSCC(C)C 62a_100000210624_100000747449 [1,1,0,0,0,0|2,0,0]=4 410 B9R0.1 COC(=O)CSCC(C)C 62a_100000747449_100000210760 [1,1,0,0,0,0|2,0,0]=4 411 B9R0.1 COC(C)CCCC(=O)[O-] 7a_100000761597_200000210301 [1,1,0,0,0,0|1,0,1]=4 412 B9R0.1 C[C@@H](CO)CNCC(=O)O 269956a_100016091260_100000059175 [1,1,0,0,0,0|2,0,0]=4 413 B9R0.53 CC(C)CN(C)CC(=O)O 269956a_100000746989_100000210760 [1,1,0,0,0,0|2,0,0]=4 414 B9R0.53 C[S+](C)CC(=O)CC(=O)N 1458a_200159257847_100000187820 [1,1,0,0,0,0|1,0,1]=4 415 B9R0.53 C[S+](C)CC(=O)CC(=O)[O-] 1458a_200159257847_100020667443 [1,1,0,0,0,0|0,0,2]=4 416 B9R0.56 CC(=O)CCC[N+](C)(C)C 1458a_100000070787_100016990835 [1,1,0,0,0,0|2,0,0]=4 417 B9R0.56 CC(=O)CCC[N+](C)(C)C 1458a_100000085584_200000210301 [1,1,0,0,0,0|2,0,0]=4 418 B9R0.56 CC(=O)CCC[Si](C)(C)C 1458a_100000070787_100011219597 [1,1,0,0,0,0|2,0,0]=4 419 B9R0.56 CC(C)(C)CNCC(=O)O 269956a_100016091260_100011219605 [1,1,0,0,0,0|2,0,0]=4 420 B9R0.56 CC(C)(F)CNCC(=O)O 269956a_100016091260_100011997219 [1,1,0,0,0,0|2,0,0]=4 421 B9R0.56 CC(C)(O)CNCC(=O)O 269956a_100016091260_100000764493 [1,1,0,0,0,0|2,0,0]=4 422 B9R0.56 C[N+](C)(C)CCCC(=O)[13CH3] 1458a_100000085584_200025704644 [1,1,0,0,0,0|2,0,0]=4 423 B9R0.56 C[N+](C)(C)CNCC(=O)O 269956a_100016091260_200000036245 [1,1,0,0,0,0|2,0,0]=4 424 B9R0.56 C[Si](C)(C)CNCC(=O)O 269956a_100016091260_100000037933 [1,1,0,0,0,0|2,0,0]=4 425 B9R0.39 CC(C)C[C@H](N[13CH3])C(=O)N 2230a_100016989234_200025704644 [0,1,0,0,1,0|2,0,0]=4 426 B9R0.39 CC(C)C[C@H](N[13CH3])C(=O)N 34a_100016989234_200025704644 [0,1,0,0,1,0|2,0,0]=4 427 B9R0.39 CN[C@@H](CC(C)C)C(=O)N 2230a_100016989234_200000210301 [0,1,0,0,1,0|2,0,0]=4 428 B9R0.39 CN[C@@H](CC(C)C)C(=O)N 34a_100016989234_200000210301 [0,1,0,0,1,0|2,0,0]=4 429 B9R0.39 CN[C@@H](CS(=O)C)C(=O)O 269956a_100009817418_200000210301 [0,1,0,0,1,0|1,0,1]=4 430 B9R0.39 CS(=O)C[C@H](N[13CH3])C(=O)O 269956a_100009817418_200025704644 [0,1,0,0,1,0|1,0,1]=4 431 B11R0.93 CC(C)CCC(C)NC(=O)CO 240690a_100138410893_100000210174 [0,1,0,0,0,1|2,0,0]=4 432 B11R0.93 CC(C)CCC(C)NC(=O)CO 527a_100138410893_100000210174 [0,1,0,0,0,1|2,0,0]=4 433 B11R0.93 COC(=O)CC(=O)CC[S+](C)C 1458a_100009452791_100000747449 [0,1,0,0,0,1|1,0,1]=4 434 B11R0.109 CC(CNC[C@@H](C)CO)C(=O)O 269956a_100000749485_100000059175 [0,1,0,0,0,1|2,0,0]=4 435 B11R0.109 CCC(C)CNCC(C)C(=O)O 269956a_100000749485_100000748023 [0,1,0,0,0,1|2,0,0]=4 436 B11R0.109 CCC(C)CNCC(F)C(=O)O 269956a_100000084737_100000748023 [0,1,0,0,0,1|2,0,0]=4 437 B11R0.109 CCC(C)COC[C@H](N)C(=O)N 34a_100000729942_100000748023 [0,1,0,0,0,1|2,0,0]=4 438 B11R0.109 CC[C@H](C)CNCC(C)C(=O)O 269956a_100000749485_100009816398 [0,1,0,0,0,1|2,0,0]=4 439 B11R0.109 CC[C@H](C)CNCC(F)C(=O)O 269956a_100000084737_100009816398 [0,1,0,0,0,1|2,0,0]=4 440 B11R0.109 CC[C@H](C)COC[C@H](N)C(=O)N 34a_100000729942_100009816398 [0,1,0,0,0,1|2,0,0]=4 441 B11R0.109 C[C@@H](CO)CNCC(F)C(=O)O 269956a_100000084737_100000059175 [0,1,0,0,0,1|2,0,0]=4 442 B11R0.109 C[C@@H](CO)COC[C@H](N)C(=O)N 34a_100000729942_100000059175 [0,1,0,0,0,1|2,0,0]=4 443 B11R0.145 C=C(C)COC[C@@H](N)C(=O)OC 34a_100000003586_100000748629 [0,1,0,0,0,1|1,0,1]=4 444 B11R0.145 CC(C)COCC(N)C(=O)NN 34a_100016989258_100000210624 [0,1,0,0,0,1|2,0,0]=4 445 B11R0.145 COC(=O)C(C)CCNC(C)C 2230a_100138425928_100000034942 [0,1,0,0,0,1|2,0,0]=4 446 B11R0.145 COC(=O)C(C)CCNC(C)C 34a_100138425928_100000034942 [0,1,0,0,0,1|2,0,0]=4 447 B11R0.145 COC(=O)C(C)CCOC(C)C 34a_100000212225_100000034942 [0,1,0,0,0,1|2,0,0]=4 448 B11R0.145 COC(=O)C(C)CCSC(C)C 62a_100000034942_100000210206 [0,1,0,0,0,1|2,0,0]=4 449 B11R0.145 COC(=O)C(C)CCSC(C)C 62a_100000210206_100000034942 [0,1,0,0,0,1|2,0,0]=4 450 B11R0.145 COC(=O)C(C)CNCC(C)C 34a_100000210953_100000698445 [0,1,0,0,0,1|2,0,0]=4 451 B11R0.145 COC(=O)C(C)COCC(C)C 34a_100000210257_100000698445 [0,1,0,0,0,1|2,0,0]=4 452 B11R0.145 COC(=O)C(C)COCC(C)C 34a_100000749362_100000210624 [0,1,0,0,0,1|2,0,0]=4 453 B11R0.145 COC(=O)C(C)COCC(C)C 7a_100000749362_100000210760 [0,1,0,0,0,1|2,0,0]=4 454 B11R0.145 COC(=O)C(C)CSCC(C)C 62a_100000210624_100000698445 [0,1,0,0,0,1|2,0,0]=4 455 B11R0.145 COC(=O)C(C)CSCC(C)C 62a_100000698445_100000210760 [0,1,0,0,0,1|2,0,0]=4 456 B11R0.145 COC(=O)C(C)OCCC(C)C 34a_100000210254_100000211248 [0,1,0,0,0,1|2,0,0]=4 457 B11R0.145 COC(=O)C(C)OCCC(C)C 34a_100011215400_100000210312 [0,1,0,0,0,1|2,0,0]=4 458 B11R0.145 COC(=O)C(C)OCCC(C)C 7a_100000210254_100000211248 [0,1,0,0,0,1|2,0,0]=4 459 B11R0.145 COC(=O)C(C)SCCC(C)C 62a_100000210312_100000211248 [0,1,0,0,0,1|2,0,0]=4 460 B11R0.145 COC(=O)C(C)SCCC(C)C 62a_100000211248_100000210312 [0,1,0,0,0,1|2,0,0]=4 461 B11R0.145 COC(=O)C(C)SCCN(C)C 62a_100000211248_100000755713 [0,1,0,0,0,1|2,0,0]=4 462 B11R0.145 COC(=O)C(F)COCC(C)C 34a_200009849844_100000210624 [0,1,0,0,0,1|2,0,0]=4 463 B11R0.145 COC(=O)[C@H](N)COCC(C)C 34a_100000003586_100000210624 [0,1,0,0,0,1|1,0,0]=3 464 B11R0.145 COC(=O)[C@H](N)COCC(C)O 34a_100000003586_100011218427 [0,1,0,0,0,1|2,0,0]=4 465 B11R0.145 COC(=O)[C@H](N)COC[C@@H](C)O 34a_100000003586_100009817552 [0,1,0,0,0,1|2,0,0]=4 466 B11R0.202 CC(C)CNCC(C)(C)C(=O)O 269956a_100000693527_100000210760 [0,1,0,0,0,1|2,0,0]=4 467 B11R0.202 CC(C)CNCC(F)(F)C(=O)O 269956a_100000734215_100000210760 [0,1,0,0,0,1|2,0,0]=4 468 B11R0.273 C=C[C@H](NCCC(C)C)C(=O)O 269956a_100016992060_100000210312 [0,1,0,0,0,1|2,0,0]=4 469 B11R0.273 C=C[C@H](NCCN(C)C)C(=O)O 269956a_100016992060_100000755713 [0,1,0,0,0,1|2,0,0]=4 470 B11R0.273 CC(C)CCNC(CO)C(=O)O 269956a_100000187304_100000210312 [0,1,0,0,0,1|2,0,0]=4 471 B11R0.273 CC[C@@H](NCCC(C)C)C(=O)O 269956a_100000747097_100000210312 [0,1,0,0,0,1|2,0,0]=4 472 B11R0.273 CC[C@@H](NCCN(C)C)C(=O)O 269956a_100000747097_100000755713 [0,1,0,0,0,1|2,0,0]=4 473 B11R0.273 CN(C)CCNC(CO)C(=O)O 269956a_100000187304_100000755713 [0,1,0,0,0,1|2,0,0]=4 474 B11R0.318 CC(C)(C)CNCC(F)C(=O)O 269956a_100000084737_100011219605 [0,1,0,0,0,1|2,0,0]=4 475 B11R0.318 CC(C)(C)COC[C@H](N)C(=O)N 34a_100000729942_100011219605 [0,1,0,0,0,1|2,0,0]=4 476 B11R0.318 CC(C)(F)CNCC(F)C(=O)O 269956a_100000084737_100011997219 [0,1,0,0,0,1|2,0,0]=4 477 B11R0.318 CC(C)(F)COC[C@H](N)C(=O)N 34a_100000729942_100011997219 [0,1,0,0,0,1|2,0,0]=4 478 B11R0.318 CC(C)(O)CNCC(F)C(=O)O 269956a_100000084737_100000764493 [0,1,0,0,0,1|2,0,0]=4 479 B11R0.318 CC(C)(O)COC[C@H](N)C(=O)N 34a_100000729942_100000764493 [0,1,0,0,0,1|2,0,0]=4 480 B11R0.318 CC(CNCC(C)(C)C)C(=O)O 269956a_100000749485_100011219605 [0,1,0,0,0,1|2,0,0]=4 481 B11R0.318 CC(CNCC(C)(C)F)C(=O)O 269956a_100000749485_100011997219 [0,1,0,0,0,1|2,0,0]=4 482 B11R0.318 CC(CNCC(C)(C)O)C(=O)O 269956a_100000749485_100000764493 [0,1,0,0,0,1|2,0,0]=4 483 B11R0.318 CC(CNC[N+](C)(C)C)C(=O)O 269956a_100000749485_200000036245 [0,1,0,0,0,1|2,0,0]=4 484 B11R0.318 CC(CNC[Si](C)(C)C)C(=O)O 269956a_100000749485_100000037933 [0,1,0,0,0,1|2,0,0]=4 485 B11R0.318 C[C@H](NCCC(C)(C)C)C(=O)O 269956a_100000743915_100000755188 [0,1,0,0,0,1|2,0,0]=4 486 B11R0.318 C[C@H](NCCC(C)(C)O)C(=O)O 269956a_100000743915_100000702414 [0,1,0,0,0,1|2,0,0]=4 487 B11R0.318 C[C@H](NCC[N+](C)(C)C)C(=O)O 269956a_100000743915_100000085578 [0,1,0,0,0,1|2,0,0]=4 488 B11R0.318 C[C@H](NCC[Si](C)(C)C)C(=O)O 269956a_100000743915_200000733723 [0,1,0,0,0,1|2,0,0]=4 489 B11R0.318 C[N+](C)(C)CNCC(F)C(=O)O 269956a_100000084737_200000036245 [0,1,0,0,0,1|2,0,0]=4 490 B11R0.318 C[Si](C)(C)CNCC(F)C(=O)O 269956a_100000084737_100000037933 [0,1,0,0,0,1|2,0,0]=4 491 B11R0.63 COC(=O)C(C)C(=O)C[S+](C)C 1458a_200159257847_100000211248 [0,2,0,0,0,0|1,0,1]=4 492 B11R0.63 COC(=O)[C@@H](N)[C@@H](C)OC(C)C 34a_100000004424_100000210206 [0,2,0,0,0,0|2,0,0]=4 493 B11R0.288 CC(C)CCC(C)(C)C(=O)CO 1458a_100000210174_200000037585 [0,2,0,0,0,0|2,0,0]=4 494 B11R0.59 CC(C)CCC(C)C(=O)CCO 1458a_100011216618_100011261404 [0,2,0,0,0,0|2,0,0]=4 495 B11R0.59 COCC(=O)C(C)CCC(C)C 1458a_100000210968_100011261404 [0,2,0,0,0,0|2,0,0]=4 496 B11R0.118 COC(=O)C(CN)OCC(C)C 34a_100000695228_100000210624 [0,2,0,0,0,0|2,0,0]=4 497 B11R0.120 CCC(C)OC[C@@H](N)C(=O)OC 34a_100000003586_100011215416 [0,2,0,0,0,0|2,0,0]=4 498 B11R0.120 CCN(C)CCC(C)C(=O)OC 2230a_100000225621_100000034942 [0,2,0,0,0,0|2,0,0]=4 499 B11R0.120 CCN(C)CCC(C)C(=O)OC 269982a_100000225621_100000034942 [0,2,0,0,0,0|2,0,0]=4 500 B11R0.120 COC(=O)[C@H](N)COC(C)CO 34a_100000003586_100012180447 [0,2,0,0,0,0|2,0,0]=4 501 B11R0.290 COC(=O)[C@H](N)COC(C)(C)C 34a_100000003586_100000210625 [0,2,0,0,0,0|2,0,0]=4 502 B11R0.146 CC(=CCC(NCF)C(=O)O)C 269956a_100102631519_100015361967 [0,2,0,0,0,0|1,0,1]=4 503 B11R0.146 CCNC(CC=C(C)C)C(=O)O 269956a_100102631519_100000210202 [0,2,0,0,0,0|1,0,1]=4 504 B11R0.146 CCNC(CC[S+](C)C)C(=O)O 269956a_100000210779_100000210202 [0,2,0,0,0,0|0,0,0]=2 505 B11R0.146 CCN[C@@H](CCS(=O)C)C(=O)O 269956a_100015235763_100000210202 [0,2,0,0,0,0|1,0,1]=4 506 B11R0.146 CS(=O)CC[C@H](NCF)C(=O)O 269956a_100015235763_100015361967 [0,2,0,0,0,0|1,0,1]=4 507 B11R0.146 C[S+](C)CCC(NCF)C(=O)O 269956a_100000210779_100015361967 [0,2,0,0,0,0|0,0,0]=2 508 B11R0.313 CC(C)(C)CC[C@H](N[13CH3])C(=O)O 269956a_200014094532_200025704644 [0,2,0,0,0,0|1,0,0]=3 509 B11R0.313 CC(C)(C)OC[C@H](N[13CH3])C(=O)O 269956a_100000704425_200025704644 [0,2,0,0,0,0|2,0,0]=4 510 B11R0.313 CC(C)(C)SC[C@@H](N[13CH3])C(=O)O 269956a_100015207734_200025704644 [0,2,0,0,0,0|2,0,0]=4 511 B11R0.313 CN[C@@H](CCC(C)(C)C)C(=O)O 269956a_200014094532_200000210301 [0,2,0,0,0,0|1,0,0]=3 512 B11R0.313 CN[C@@H](COC(C)(C)C)C(=O)O 269956a_100000704425_200000210301 [0,2,0,0,0,0|2,0,0]=4 513 B11R0.313 CN[C@H](CSC(C)(C)C)C(=O)O 269956a_100015207734_200000210301 [0,2,0,0,0,0|2,0,0]=4 514 B9R1.95 CN[C@H]1C[C@H](C1)C(=O)O 269956a_100000738708_200000210301 [1,0,0,1,0,0|2,0,0]=4 515 B9R1.95 [13CH3]N[C@H]1C[C@H](C1)C(=O)O 269956a_100000738708_200025704644 [1,0,0,1,0,0|2,0,0]=4 516 B9R1.53 CN(C)CC1CC(=O)C1 2230a_100102631434_100009874392 [1,0,0,1,0,0|2,0,0]=4 517 B9R1.53 CN(C)CC1CC(=O)C1 269982a_100102631434_100009874392 [1,0,0,1,0,0|2,0,0]=4 518 B9R1.53 CN1CC(C1)CC(=O)O 269956a_100016993960_200000210301 [1,0,0,1,0,0|1,0,0]=3 519 B9R1.53 [13CH3]N1CC(C1)CC(=O)O 269956a_100016993960_200025704644 [1,0,0,1,0,0|1,0,0]=3 520 B9R1.85 O=C(O)CNCC1CC1 269956a_100016091260_100000742324 [1,0,0,1,0,0|2,0,0]=4 521 B11R1.333 CC(CNCC1CC1)C(=O)O 269956a_100000749485_100000742324 [0,0,0,1,0,1|2,0,0]=4 522 B11R1.333 C[C@H](NCCC1CC1)C(=O)O 269956a_100000743915_100000694398 [0,0,0,1,0,1|2,0,0]=4 523 B11R1.333 NC(=O)[C@@H](N)COCC1CC1 34a_100000729942_100000742324 [0,0,0,1,0,1|2,0,0]=4 524 B11R1.333 O=C(O)C(F)CNCC1CC1 269956a_100000084737_100000742324 [0,0,0,1,0,1|2,0,0]=4 525 B11R1.565 CN1CCCC(CC1)C(=O)O 269956a_100000134118_200000210301 [0,0,0,1,0,1|2,0,0]=4 526 B11R1.565 [13CH3]N1CCCC(CC1)C(=O)O 269956a_100000134118_200025704644 [0,0,0,1,0,1|2,0,0]=4 527 B11R1.166 CN1CC(CCC1C(=O)O)O 269956a_100000089875_200000210301 [0,1,0,1,0,0|2,0,0]=4 528 B11R1.166 [13CH3]N1CC(CCC1C(=O)O)O 269956a_100000089875_200025704644 [0,1,0,1,0,0|2,0,0]=4 529 B11R1.220 CC1(CCN(CC1)[13CH3])C(=O)O 269956a_100000699452_200025704644 [0,1,0,1,0,0|2,0,0]=4 530 B11R1.220 CN1CCC(CC1)(C)C(=O)O 269956a_100000699452_200000210301 [0,1,0,1,0,0|2,0,0]=4 531 B11R1.220 CN1CCC(CC1)(F)C(=O)O 269956a_100020586884_200000210301 [0,1,0,1,0,0|2,0,0]=4 532 B11R1.220 [13CH3]N1CCC(CC1)(F)C(=O)O 269956a_100020586884_200025704644 [0,1,0,1,0,0|2,0,0]=4 533 B11R1.22 CC1CCC(CC1)C(=O)CO 1458a_100000210174_200011216234 [0,1,0,1,0,0|2,0,0]=4 534 B11R1.22 COC(=O)C1CCN(CC1)C 2230a_100000212072_200000210301 [0,1,0,1,0,0|2,0,0]=4 535 B11R1.22 COC(=O)C1CCN(CC1)C 269982a_100000212072_200000210301 [0,1,0,1,0,0|2,0,0]=4 536 B11R1.22 COC(=O)C1CCN(CC1)[13CH3] 2230a_100000212072_200025704644 [0,1,0,1,0,0|2,0,0]=4 537 B11R1.22 COC(=O)C1CCN(CC1)[13CH3] 269982a_100000212072_200025704644 [0,1,0,1,0,0|2,0,0]=4 538 B11R1.294 COC(=O)[C@H](N)COC1CC1 34a_100000003586_100000211595 [0,1,0,1,0,0|2,0,0]=4 539 B11R1.853 COC(=O)C1CC(C1)N(C)C 269982a_100102631434_100009897219 [0,1,0,1,0,0|2,0,0]=4 540 B11R1.3 CCN1CCC(CC1)C(=O)O 269956a_100000210459_100000210202 [0,1,0,1,0,0|2,0,0]=4 541 B11R1.3 CN[C@H]1CC[C@H](CC1)C(=O)O 269956a_100009815960_200000210301 [0,1,0,1,0,0|2,0,0]=4 542 B11R1.3 O=C(O)C1CCN(CC1)CF 269956a_100000210459_100015361967 [0,1,0,1,0,0|2,0,0]=4 543 B11R1.3 [13CH3]N[C@H]1CC[C@H](CC1)C(=O)O 269956a_100009815960_200025704644 [0,1,0,1,0,0|2,0,0]=4 544 B11R1.515 CC1(SCC(N1[13CH3])C(=O)O)C 269956a_100000706825_200025704644 [0,1,0,1,0,0|2,0,0]=4 545 B11R1.515 CN1C(CSC1(C)C)C(=O)O 269956a_100000706825_200000210301 [0,1,0,1,0,0|2,0,0]=4 546 B7R0.16 CC(C(=O)O)N(C)C 269956a_100000749554_200000210301 [0,0,0,0,2,0|2,0,0]=4 547 B7R0.16 CC(C(=O)O)N(C)[13CH3] 269956a_100000749554_200025704644 [0,0,0,0,2,0|2,0,0]=4 548 B9R0.55 C=C(C)CCNCC(=O)O 269956a_100016091260_100000730704 [1,0,0,0,0,1|1,0,1]=4 549 B9R0.55 CC(=CCNCC(=O)O)C 269956a_100016091260_100000761012 [1,0,0,0,0,1|1,0,1]=4 550 B9R0.55 CC(=O)CCCCC(C)C 1458a_100000070787_100011216152 [1,0,0,0,0,1|2,0,0]=4 551 B9R0.55 CC(=O)CCCCC(C)C 1458a_100011933920_200000210301 [1,0,0,0,0,1|2,0,0]=4 552 B9R0.55 CC(=O)CCCCN(C)C 269982a_100102631434_100000735457 [1,0,0,0,0,1|2,0,0]=4 553 B9R0.55 CC(=O)CCCNC(C)C 34a_100138425928_100000685027 [1,0,0,0,0,1|2,0,0]=4 554 B9R0.55 CC(=O)CCCOC(C)C 34a_100000212225_100000685027 [1,0,0,0,0,1|2,0,0]=4 555 B9R0.55 CC(=O)CCCOC(C)C 34a_100000759063_100000210206 [1,0,0,0,0,1|2,0,0]=4 556 B9R0.55 CC(=O)CCCOC(C)C 7a_100000759063_100000210206 [1,0,0,0,0,1|2,0,0]=4 557 B9R0.55 CC(=O)CCCSC(C)C 62a_100000210206_100011215641 [1,0,0,0,0,1|2,0,0]=4 558 B9R0.55 CC(=O)CCCSC(C)C 62a_100011215641_100000210206 [1,0,0,0,0,1|2,0,0]=4 559 B9R0.55 CC(=O)CCNCC(=O)O 269956a_100016091260_100000053229 [1,0,0,0,0,1|2,0,0]=4 560 B9R0.55 CC(=O)CCOCC(C)C 34a_100000759926_100000210624 [1,0,0,0,0,1|2,0,0]=4 561 B9R0.55 CC(=O)CCOCC(C)C 7a_100000759926_100000210760 [1,0,0,0,0,1|2,0,0]=4 562 B9R0.55 CC(=O)CCSCC(C)C 62a_100000053229_100000210760 [1,0,0,0,0,1|2,0,0]=4 563 B9R0.55 CC(=O)CCSCC(C)C 62a_100000210624_100000053229 [1,0,0,0,0,1|2,0,0]=4 564 B9R0.55 CC(=O)COCCC(C)C 34a_100000211253_100000210312 [1,0,0,0,0,1|2,0,0]=4 565 B9R0.55 CC(=O)NCCCC(C)C 11a_200000737386_100015343762 [1,0,0,0,0,1|2,0,0]=4 566 B9R0.55 CC(=O)NCCCC(C)C 1626a_200000737386_100015343762 [1,0,0,0,0,1|2,0,0]=4 567 B9R0.55 CC(=O)NCCCC(C)C 240690a_200000737386_100015343762 [1,0,0,0,0,1|2,0,0]=4 568 B9R0.55 CC(=O)NCCCC(C)C 527a_200000737386_100103153847 [1,0,0,0,0,1|2,0,0]=4 569 B9R0.55 CC(=O)NCCCN(C)C 240690a_102531767803_100015343762 [1,0,0,0,0,1|2,0,0]=4 570 B9R0.55 CC(=O)NCCCN(C)C 527a_102531767803_100103153847 [1,0,0,0,0,1|2,0,0]=4 571 B9R0.55 CC(=O)OCCCN(C)C 269982a_100102631434_100000042594 [1,0,0,0,0,1|2,0,0]=4 572 B9R0.55 CC(=O)SCCCN(C)C 2230a_100102631434_100000038929 [1,0,0,0,0,1|2,0,0]=4 573 B9R0.55 CC(=O)SCCCN(C)C 269982a_100102631434_100000038929 [1,0,0,0,0,1|2,0,0]=4 574 B9R0.55 CC(C)CCCCC(=O)[13CH3] 1458a_100011933920_200025704644 [1,0,0,0,0,1|2,0,0]=4 575 B9R0.55 CC(C)CCNCC(=O)N 2230a_100000711301_100000210312 [1,0,0,0,0,1|2,0,0]=4 576 B9R0.55 CC(C)CCNCC(=O)O 269956a_100016091260_100000210312 [1,0,0,0,0,1|1,0,0]=3 577 B9R0.55 CC(C)CCOCC(=O)N 34a_100000210254_100000187820 [1,0,0,0,0,1|2,0,0]=4 578 B9R0.55 CC(C)CCOCC(=O)N 7a_100000210254_100000187820 [1,0,0,0,0,1|2,0,0]=4 579 B9R0.55 CC(C)CCOCC(=O)[O-] 34a_100000210254_100020667443 [1,0,0,0,0,1|1,0,1]=4 580 B9R0.55 CC(C)CCSCC(=O)N 62a_100000210312_100000747473 [1,0,0,0,0,1|2,0,0]=4 581 B9R0.55 CC(C)CCSCC(=O)N 62a_100000747473_100000210312 [1,0,0,0,0,1|2,0,0]=4 582 B9R0.55 CC(C)CCSCC(=O)[O-] 62a_100000210312_100020667443 [1,0,0,0,0,1|1,0,1]=4 583 B9R0.55 CC(C)CCSCC(=O)[O-] 62a_100020667443_100000210312 [1,0,0,0,0,1|1,0,1]=4 584 B9R0.55 CC(C)CNCCC(=O)N 2230a_100000210953_100000744528 [1,0,0,0,0,1|2,0,0]=4 585 B9R0.55 CC(C)CNCCC(=O)N 34a_100000210953_100000731001 [1,0,0,0,0,1|2,0,0]=4 586 B9R0.55 CC(C)CNOCC(=O)O 269956a_100000106656_100000210760 [1,0,0,0,0,1|2,0,0]=4 587 B9R0.55 CC(C)COCCC(=O)N 34a_100000210257_100000731001 [1,0,0,0,0,1|2,0,0]=4 588 B9R0.55 CC(C)COCCC(=O)N 34a_100000757172_100000210624 [1,0,0,0,0,1|2,0,0]=4 589 B9R0.55 CC(C)COCCC(=O)N 7a_100000757172_100000210760 [1,0,0,0,0,1|2,0,0]=4 590 B9R0.55 CC(C)CSCCC(=O)N 62a_100000210624_100000744528 [1,0,0,0,0,1|2,0,0]=4 591 B9R0.55 CC(C)CSCCC(=O)N 62a_100000744528_100000210760 [1,0,0,0,0,1|2,0,0]=4 592 B9R0.55 CC(C)NCCCC(=O)N 34a_100000739312_100000210206 [1,0,0,0,0,1|2,0,0]=4 593 B9R0.55 CC(C)NCCCC(=O)N 34a_100138425928_100102525003 [1,0,0,0,0,1|2,0,0]=4 594 B9R0.55 CC(C)OCCCC(=O)N 34a_100000212225_100102525003 [1,0,0,0,0,1|2,0,0]=4 595 B9R0.55 CC(C)OCNCC(=O)O 269956a_100016091260_100000709892 [1,0,0,0,0,1|2,0,0]=4 596 B9R0.55 CC(C)SCCCC(=O)N 62a_100000210206_100102525003 [1,0,0,0,0,1|2,0,0]=4 597 B9R0.55 CC(C)SCCCC(=O)N 62a_100102525003_100000210206 [1,0,0,0,0,1|2,0,0]=4 598 B9R0.55 CC(O)CCNCC(=O)O 269956a_100016091260_100012276601 [1,0,0,0,0,1|2,0,0]=4 599 B9R0.55 CN(C)CCNCC(=O)O 269956a_100016091260_100000755713 [1,0,0,0,0,1|1,0,0]=3 600 B9R0.55 CN(C)CCOCC(=O)N 2230a_100102631434_100000076697 [1,0,0,0,0,1|2,0,0]=4 601 B9R0.55 CN(C)CCOCC(=O)N 269982a_100102631434_100000076697 [1,0,0,0,0,1|2,0,0]=4 602 B9R0.55 CN(C)CCSCC(=O)N 62a_100000747473_100000755713 [1,0,0,0,0,1|2,0,0]=4 603 B9R0.55 CN(C)CCSCC(=O)[O-] 62a_100020667443_100000755713 [1,0,0,0,0,1|1,0,1]=4 604 B11R0.6 CC(C)CNCC(O)CC(=O)O 269956a_100011218706_100000210760 [0,0,0,0,0,2|2,0,0]=4 605 B11R0.85 CC(C)CCC(C)NCC(=O)O 269956a_100016091260_100011261404 [0,0,0,0,0,2|2,0,0]=4 606 B11R0.29 CC(=CCCN[C@@H](C)C(=O)O)C 269956a_100000743915_100011217483 [0,0,0,0,0,2|2,0,0]=4 607 B11R0.29 CC(=CCNCC(C)C(=O)O)C 269956a_100000749485_100000761012 [0,0,0,0,0,2|2,0,0]=4 608 B11R0.29 CC(=CCNCC(F)C(=O)O)C 269956a_100000084737_100000761012 [0,0,0,0,0,2|2,0,0]=4 609 B11R0.29 CC(=CCOC[C@H](N)C(=O)N)C 34a_100000729942_100000761012 [0,0,0,0,0,2|2,0,0]=4 610 B11R0.29 CC(C)CCCN[C@@H](C)C(=O)O 269956a_100000743915_100011214892 [0,0,0,0,0,2|2,0,0]=4 611 B11R0.29 CC(C)CCNCC(C)C(=O)O 269956a_100000749485_100000210312 [0,0,0,0,0,2|2,0,0]=4 612 B11R0.29 CC(C)CCNCC(F)C(=O)O 269956a_100000084737_100000210312 [0,0,0,0,0,2|2,0,0]=4 613 B11R0.29 CC(C)CCOC[C@H](N)C(=O)N 34a_100000729942_100000210312 [0,0,0,0,0,2|2,0,0]=4 614 B11R0.29 CC(C)OCCN[C@@H](C)C(=O)O 269956a_100000743915_100000211751 [0,0,0,0,0,2|2,0,0]=4 615 B11R0.29 CC(C)OCNCC(C)C(=O)O 269956a_100000749485_100000709892 [0,0,0,0,0,2|2,0,0]=4 616 B11R0.29 CC(C)OCNCC(F)C(=O)O 269956a_100000084737_100000709892 [0,0,0,0,0,2|2,0,0]=4 617 B11R0.29 CC(C)OCOC[C@H](N)C(=O)N 34a_100000729942_100000709892 [0,0,0,0,0,2|2,0,0]=4 618 B11R0.29 CC(C)SCCN[C@@H](C)C(=O)O 269956a_100000743915_100000730970 [0,0,0,0,0,2|2,0,0]=4 619 B11R0.29 CC(CNCCN(C)C)C(=O)O 269956a_100000749485_100000755713 [0,0,0,0,0,2|2,0,0]=4 620 B11R0.29 CN(C)CCNCC(F)C(=O)O 269956a_100000084737_100000755713 [0,0,0,0,0,2|2,0,0]=4 621 B11R0.29 C[C@H](NCCCN(C)C)C(=O)O 269956a_100000743915_100000757444 [0,0,0,0,0,2|2,0,0]=4 622 B6R0.4 CCCCC(=O)C 1458a_100000070787_100000210211 [3,0,0,0,0,0|1,0,0]=4 623 B6R0.4 CCCCC(=O)C 1458a_100000210183_200000210301 [3,0,0,0,0,0|1,0,0]=4 624 B6R0.4 CCCCC(=O)[13CH3] 1458a_100000210183_200025704644 [3,0,0,0,0,0|1,0,0]=4 625 B6R0.4 CCNCC(=O)O 269956a_100016091260_100000210202 [3,0,0,0,0,0|1,0,0]=4 626 B6R0.4 CN(C)CCCO 2230a_100000213112_200000210301 [3,0,0,0,0,0|1,0,0]=4 627 B6R0.4 CN(C)CCCO 2230a_100102631434_100000230001 [3,0,0,0,0,0|1,0,0]=4 628 B6R0.4 CN(C)CCCO 269982a_100000213112_200000210301 [3,0,0,0,0,0|1,0,0]=4 629 B6R0.4 CN(C)CCCO 269982a_100102631434_100011215043 [3,0,0,0,0,0|1,0,0]=4 630 B6R0.4 CN([13CH3])CCCO 2230a_100000213112_200025704644 [3,0,0,0,0,0|1,0,0]=4 631 B6R0.4 CN([13CH3])CCCO 269982a_100000213112_200025704644 [3,0,0,0,0,0|1,0,0]=4 632 B6R0.6 CNCCCC=O 2230a_106832991635_200011292268 [3,0,0,0,0,0|1,0,0]=4 633 B6R0.6 CNCCCC=O 7a_106832991635_200011292268 [3,0,0,0,0,0|1,0,0]=4 634 B6R0.6 CSCCCC=O 62a_200000210301_200011292268 [3,0,0,0,0,0|0,0,1]=4 635 B6R0.6 CSCCCC=O 62a_200011292268_200000210301 [3,0,0,0,0,0|0,0,1]=4 636 B6R0.6 [13CH3]SCCCC=O 62a_200011292268_200025704644 [3,0,0,0,0,0|0,0,1]=4 637 B6R0.6 [13CH3]SCCCC=O 62a_200025704644_200011292268 [3,0,0,0,0,0|0,0,1]=4 638 B8R0.5 CNCC(O)CC(=O)O 269956a_100011218706_200000210301 [2,1,0,0,0,0|1,0,0]=4 639 B8R0.5 [13CH3]NCC(O)CC(=O)O 269956a_100011218706_200025704644 [2,1,0,0,0,0|1,0,0]=4 640 B8R0.7 CC(C)CCOCC=O 34a_100000210254_200009817547 [2,1,0,0,0,0|1,0,0]=4 641 B8R0.7 CC(C)CCOCC=O 7a_100000210254_200015260668 [2,1,0,0,0,0|1,0,0]=4 642 B8R0.7 CC(C)CCSCC=O 62a_100000210312_200015260668 [2,1,0,0,0,0|1,0,0]=4 643 B8R0.7 CC(C)CCSCC=O 62a_200015260668_100000210312 [2,1,0,0,0,0|1,0,0]=4 644 B8R0.7 CC(C)NCCCC=O 2230a_100138425928_200011292268 [2,1,0,0,0,0|1,0,0]=4 645 B8R0.7 CC(C)SCCCC=O 62a_100000210206_200011292268 [2,1,0,0,0,0|1,0,0]=4 646 B8R0.7 CC(C)SCCCC=O 62a_200011292268_100000210206 [2,1,0,0,0,0|1,0,0]=4 647 B8R0.7 CCCCNCC(=O)O 269956a_100016091260_100000210211 [2,1,0,0,0,0|1,0,0]=4 648 B8R0.7 CN(C)CCCCC=O 2230a_100102631434_100000139335 [2,1,0,0,0,0|1,0,0]=4 649 B8R0.7 CN(C)CCCCC=O 269982a_100102631434_100000139335 [2,1,0,0,0,0|1,0,0]=4 650 B8R0.7 CN(C)CCSCC=O 62a_200015260668_100000755713 [2,1,0,0,0,0|1,0,0]=4 651 B8R0.7 CNCCOCC(=O)O 269956a_100000700818_200000210301 [2,1,0,0,0,0|1,0,0]=4 652 B8R0.7 COCCNCC(=O)O 269956a_100016091260_100000233755 [2,1,0,0,0,0|0,1,0]=4 653 B8R0.7 CSCCNCC(=O)O 269956a_100016091260_100000212216 [2,1,0,0,0,0|0,0,1]=4 654 B8R0.7 [13CH3]NCCOCC(=O)O 269956a_100000700818_200025704644 [2,1,0,0,0,0|1,0,0]=4 655 B8R0.15 CCC[C@H](NC)C(=O)N 2230a_100000729256_200000210301 [2,1,0,0,0,0|1,0,0]=4 656 B8R0.15 CCC[C@H](NC)C(=O)N 34a_100000729256_200000210301 [2,1,0,0,0,0|1,0,0]=4 657 B8R0.15 CCC[C@H](NC)C(=O)O 269956a_100000750406_200000210301 [2,1,0,0,0,0|0,0,0]=3 658 B8R0.15 CCC[C@H](N[13CH3])C(=O)N 2230a_100000729256_200025704644 [2,1,0,0,0,0|1,0,0]=4 659 B8R0.15 CCC[C@H](N[13CH3])C(=O)N 34a_100000729256_200025704644 [2,1,0,0,0,0|1,0,0]=4 660 B8R0.15 CCC[C@H](N[13CH3])C(=O)O 269956a_100000750406_200025704644 [2,1,0,0,0,0|0,0,0]=3 661 B8R0.15 CN[C@@H](CSC)C(=O)O 269956a_100011421858_200000210301 [2,1,0,0,0,0|0,0,1]=4 662 B8R0.15 CN[C@@H](C[Se]C)C(=O)O 269956a_100015254316_200000210301 [2,1,0,0,0,0|0,1,0]=4 663 B8R0.15 CN[C@H](COC)C(=O)O 269956a_100011998655_200000210301 [2,1,0,0,0,0|0,1,0]=4 664 B8R0.15 COC[C@@H](N[13CH3])C(=O)O 269956a_100011998655_200025704644 [2,1,0,0,0,0|0,1,0]=4 665 B8R0.15 CSC[C@H](N[13CH3])C(=O)O 269956a_100011421858_200025704644 [2,1,0,0,0,0|0,0,1]=4 666 B8R0.15 C[Se]C[C@H](N[13CH3])C(=O)O 269956a_100015254316_200025704644 [2,1,0,0,0,0|0,1,0]=4 667 B8R0.18 CC(C)[C@@H](N[13CH3])C(=O)O 269956a_100000745019_200025704644 [0,1,0,0,2,0|1,0,0]=4 668 B8R0.18 CN[C@@H](C(=O)O)C(C)C 269956a_100000745019_200000210301 [0,1,0,0,2,0|1,0,0]=4 669 B10R0.15 CC(C)(C)CCNCC(=O)O 269956a_100016091260_100000755188 [1,1,0,0,0,1|1,0,0]=4 670 B10R0.15 CC(C)(O)CCNCC(=O)O 269956a_100016091260_100000702414 [1,1,0,0,0,1|1,0,0]=4 671 B10R0.15 C[N+](C)(C)CCNCC(=O)O 269956a_100016091260_100000085578 [1,1,0,0,0,1|1,0,0]=4 672 B10R0.15 C[Si](C)(C)CCNCC(=O)O 269956a_100016091260_200000733723 [1,1,0,0,0,1|1,0,0]=4 673 B10R0.55 CC(C)CCCCC(=O)CO 1458a_100000210174_100011216152 [1,1,0,0,0,1|1,0,0]=4 674 B10R0.55 CC(C)CCCNC(=O)CO 240690a_200000737386_100000210174 [1,1,0,0,0,1|1,0,0]=4 675 B10R0.55 CC(C)CCCNC(=O)CO 527a_200000737386_100000210174 [1,1,0,0,0,1|1,0,0]=4 676 B10R0.55 CN(C)CCCNC(=O)CO 240690a_102531767803_100000210174 [1,1,0,0,0,1|1,0,0]=4 677 B10R0.55 CN(C)CCCNC(=O)CO 527a_102531767803_100000210174 [1,1,0,0,0,1|1,0,0]=4 678 B10R0.55 COC(=O)CCCCN(C)C 2230a_100102631434_100000204269 [1,1,0,0,0,1|1,0,0]=4 679 B10R0.55 COC(=O)CCCCN(C)C 269982a_100102631434_100000204269 [1,1,0,0,0,1|1,0,0]=4 680 B10R0.55 COC(=O)CCCNC(C)C 2230a_100138425928_100011218270 [1,1,0,0,0,1|1,0,0]=4 681 B10R0.55 COC(=O)CCCNC(C)C 34a_100138425928_100000742333 [1,1,0,0,0,1|1,0,0]=4 682 B10R0.55 COC(=O)CCCOC(C)C 34a_100000212225_100000742333 [1,1,0,0,0,1|1,0,0]=4 683 B10R0.55 COC(=O)CCCSC(C)C 62a_100000210206_100011218270 [1,1,0,0,0,1|1,0,0]=4 684 B10R0.55 COC(=O)CCCSC(C)C 62a_100011218270_100000210206 [1,1,0,0,0,1|1,0,0]=4 685 B10R0.55 COC(=O)CCNCC(C)C 2230a_100000210953_100000204255 [1,1,0,0,0,1|1,0,0]=4 686 B10R0.55 COC(=O)CCNCC(C)C 34a_100000210953_100000742370 [1,1,0,0,0,1|1,0,0]=4 687 B10R0.55 COC(=O)CCOCC(C)C 34a_100000210257_100000742370 [1,1,0,0,0,1|1,0,0]=4 688 B10R0.55 COC(=O)CCSCC(C)C 62a_100000204255_100000210760 [1,1,0,0,0,1|1,0,0]=4 689 B10R0.55 COC(=O)CCSCC(C)C 62a_100000210624_100000204255 [1,1,0,0,0,1|1,0,0]=4 690 B10R0.55 COC(=O)COCCC(C)C 34a_100000210254_100000747449 [1,1,0,0,0,1|1,0,0]=4 691 B10R0.55 COC(=O)COCCC(C)C 7a_100000210254_100000747449 [1,1,0,0,0,1|1,0,0]=4 692 B10R0.55 COC(=O)COCCN(C)C 2230a_100102631434_100000090808 [1,1,0,0,0,1|1,0,0]=4 693 B10R0.55 COC(=O)CSCCC(C)C 62a_100000210312_100000747449 [1,1,0,0,0,1|1,0,0]=4 694 B10R0.55 COC(=O)CSCCC(C)C 62a_100000747449_100000210312 [1,1,0,0,0,1|1,0,0]=4 695 B10R0.55 COC(=O)CSCCN(C)C 62a_100000747449_100000755713 [1,1,0,0,0,1|1,0,0]=4 696 B10R0.83 CCCOC[C@@H](N)C(=O)OC 34a_100000003586_100000210303 [1,2,0,0,0,0|1,0,0]=4 697 B10R0.83 COC(=O)[C@H](N)COCSC 34a_100000003586_100011218213 [1,2,0,0,0,0|0,0,1]=4 698 B10R0.85 CCCCC(NC)C(=O)OC 2230a_106832991635_100000750740 [1,2,0,0,0,0|1,0,0]=4 699 B10R0.85 CCCCC(NC)C(=O)OC 34a_100102657272_100000750740 [1,2,0,0,0,0|1,0,0]=4 700 B10R0.85 CCCCC(NC)C(=O)OC 7a_106832991635_100000750740 [1,2,0,0,0,0|1,0,0]=4 701 B10R0.88 CCN[C@@H](CCSC)C(=O)O 269956a_100000743919_100000210202 [1,2,0,0,0,0|0,0,1]=4 702 B10R0.88 CCN[C@@H](CC[Se]C)C(=O)O 269956a_100020619752_100000210202 [1,2,0,0,0,0|0,1,0]=4 703 B10R0.88 CSCC[C@H](NCF)C(=O)O 269956a_100000743919_100015361967 [1,2,0,0,0,0|0,0,1]=4 704 B10R0.88 C[Se]CC[C@H](NCF)C(=O)O 269956a_100020619752_100015361967 [1,2,0,0,0,0|0,1,0]=4 705 B10R0.3 C#CCN(C)CCCC(=O)O 269956a_100000719178_100000184674 [1,2,0,0,0,0|1,0,0]=4 706 B10R0.3 C=CCN(C)CCCC(=O)O 269956a_100000719178_100000210623 [1,2,0,0,0,0|1,0,0]=4 707 B10R0.3 CC(C)CCCC(=O)CCO 1458a_100011216618_100011214892 [1,2,0,0,0,0|1,0,0]=4 708 B10R0.3 CC(C)CCCC(=O)CCO 1458a_100011216857_100000211926 [1,2,0,0,0,0|1,0,0]=4 709 B10R0.3 CCCN(C)CCCC(=O)O 269956a_100000719178_100000210207 [1,2,0,0,0,0|1,0,0]=4 710 B10R0.3 CCOC(=O)CCCN(C)C 2230a_100102631434_100009991533 [1,2,0,0,0,0|1,0,0]=4 711 B10R0.3 CCOC(=O)CCCN(C)C 269982a_100102631434_100009991533 [1,2,0,0,0,0|1,0,0]=4 712 B10R0.3 CN(C)CCCC(=O)CCO 1458a_100011216618_100000695564 [1,2,0,0,0,0|1,0,0]=4 713 B10R0.3 CN(CC#N)CCCC(=O)O 269956a_100000719178_100011215382 [1,2,0,0,0,0|1,0,0]=4 714 B10R0.3 CN(CC=O)CCCC(=O)O 269956a_100000719178_200015260668 [1,2,0,0,0,0|1,0,0]=4 715 B10R0.3 CN(CCF)CCCC(=O)O 269956a_100000719178_100011217306 [1,2,0,0,0,0|1,0,0]=4 716 B10R0.3 CN(CCO)CCCC(=O)O 269956a_100000719178_100000211926 [1,2,0,0,0,0|1,0,0]=4 717 B10R0.3 COCC(=O)CCCC(C)C 1458a_100000210968_100011214892 [1,2,0,0,0,0|1,0,0]=4 718 B10R0.3 COCC(=O)CCCN(C)C 1458a_100000210968_100000695564 [1,2,0,0,0,0|1,0,0]=4 719 B10R0.3 COCN(C)CCCC(=O)O 269956a_100000719178_100000766300 [1,2,0,0,0,0|1,0,0]=4 720 B10R0.3 CSCN(C)CCCC(=O)O 269956a_100000719178_100011218213 [1,2,0,0,0,0|1,0,0]=4 721 B10R0.59 CCN(C)CCCC(=O)CO 1458a_100000210174_100015186262 [1,2,0,0,0,0|1,0,0]=4 722 B10R0.59 CCN(C)CCCC(=O)OC 2230a_100000225621_100011218270 [1,2,0,0,0,0|1,0,0]=4 723 B10R0.59 CCN(C)CCCC(=O)OC 269982a_100000225621_100011218270 [1,2,0,0,0,0|1,0,0]=4 724 B10R0.59 CCN(C)CCCC(=O)OC 269982a_100000739225_100000204670 [1,2,0,0,0,0|1,0,0]=4 725 B10R0.59 COC(=O)CCCN(C)CF 269982a_100000739225_100015361967 [1,2,0,0,0,0|1,0,0]=4 726 B10R0.60 C[N+](C)(C)CCCC(=O)CO 1458a_100000210174_100016990835 [1,2,0,0,0,0|1,0,0]=4 727 B10R0.60 C[Si](C)(C)CCCC(=O)CO 1458a_100000210174_100011219597 [1,2,0,0,0,0|1,0,0]=4 728 B10R0.95 CC(C)(C)CC(N[13CH3])C(=O)O 269956a_100000691758_200025704644 [0,2,0,0,1,0|1,0,0]=4 729 B10R0.95 CC(C)(F)C[C@H](N[13CH3])C(=O)O 269956a_100016039316_200025704644 [0,2,0,0,1,0|1,0,0]=4 730 B10R0.95 CNC(CC(C)(C)C)C(=O)O 269956a_100000691758_200000210301 [0,2,0,0,1,0|1,0,0]=4 731 B10R0.95 CN[C@@H](CC(C)(C)F)C(=O)O 269956a_100016039316_200000210301 [0,2,0,0,1,0|1,0,0]=4 732 B12R0.86 COC(=O)[C@H](N)COCC=C(C)C 34a_100000003586_100000761012 [0,1,0,0,0,2|1,0,0]=4 733 B12R0.86 COC(=O)[C@H](N)COCCC(C)C 34a_100000003586_100000210312 [0,1,0,0,0,2|1,0,0]=4 734 B12R0.86 COC(=O)[C@H](N)COCOC(C)C 34a_100000003586_100000709892 [0,1,0,0,0,2|1,0,0]=4 735 B12R0.238 CN(C)CCCC[C@H](N[13CH3])C(=O)O 269956a_200015235947_200025704644 [0,1,0,0,0,2|1,0,0]=4 736 B12R0.238 CN[C@@H](CCCCN(C)C)C(=O)O 269956a_200015235947_200000210301 [0,1,0,0,0,2|1,0,0]=4 737 B12R0.156 CCC(C)COC[C@@H](N)C(=O)OC 34a_100000003586_100000748023 [0,2,0,0,0,1|1,0,0]=4 738 B12R0.156 CC[C@H](C)COC[C@@H](N)C(=O)OC 34a_100000003586_100009816398 [0,2,0,0,0,1|1,0,0]=4 739 B12R0.156 COC(=O)[C@H](N)COC[C@@H](C)CO 34a_100000003586_100000059175 [0,2,0,0,0,1|1,0,0]=4 740 B12R0.90 COC(=O)[C@H](N)COCC(C)(C)C 34a_100000003586_100011219605 [0,2,0,0,0,1|1,0,0]=4 741 B12R0.90 COC(=O)[C@H](N)COCC(C)(C)F 34a_100000003586_100011997219 [0,2,0,0,0,1|1,0,0]=4 742 B12R0.90 COC(=O)[C@H](N)COCC(C)(C)O 34a_100000003586_100000764493 [0,2,0,0,0,1|1,0,0]=4 743 B12R0.188 COC(=O)C(CN)OCCC(C)C 34a_100000695228_100000210312 [0,2,0,0,0,1|1,0,0]=4 744 B12R0.55 C#CCNC(CC[S+](C)C)C(=O)O 269956a_100000210779_100000184674 [0,3,0,0,0,0|0,0,0]=3 745 B12R0.55 C=CCNC(CC[S+](C)C)C(=O)O 269956a_100000210779_100000210623 [0,3,0,0,0,0|0,0,0]=3 746 B12R0.55 CCCNC(CC[S+](C)C)C(=O)O 269956a_100000210779_100000210207 [0,3,0,0,0,0|0,0,0]=3 747 B12R0.55 COCNC(CC[S+](C)C)C(=O)O 269956a_100000210779_100000766300 [0,3,0,0,0,0|0,0,0]=3 748 B12R0.55 CSCNC(CC[S+](C)C)C(=O)O 269956a_100000210779_100011218213 [0,3,0,0,0,0|0,0,0]=3 749 B12R0.55 C[S+](C)CCC(NCC#N)C(=O)O 269956a_100000210779_100011215382 [0,3,0,0,0,0|0,0,0]=3 750 B12R0.55 C[S+](C)CCC(NCC=O)C(=O)O 269956a_100000210779_200015260668 [0,3,0,0,0,0|0,0,0]=3 751 B12R0.55 C[S+](C)CCC(NCCF)C(=O)O 269956a_100000210779_100011217306 [0,3,0,0,0,0|0,0,0]=3 752 B12R0.55 C[S+](C)CCC(NCCO)C(=O)O 269956a_100000210779_100000211926 [0,3,0,0,0,0|0,0,0]=3 753 B12R0.550 CC(C)(C)CC[C@H](NCF)C(=O)O 269956a_200014094532_100015361967 [0,3,0,0,0,0|1,0,0]=4 754 B12R0.550 CCN[C@@H](CCC(C)(C)C)C(=O)O 269956a_200014094532_100000210202 [0,3,0,0,0,0|1,0,0]=4 755 B8R1.31 CN(C)C1CCC1=O 269982a_100102631434_100009892977 [2,0,0,1,0,0|1,0,0]=4 756 B8R1.31 CN1CCC1C(=O)O 269956a_100000021838_200000210301 [2,0,0,1,0,0|1,0,0]=4 757 B8R1.31 [13CH3]N1CCC1C(=O)O 269956a_100000021838_200025704644 [2,0,0,1,0,0|1,0,0]=4 758 B10R1.126 O=C(O)CNCCC1CC1 269956a_100016091260_100000694398 [1,0,0,1,0,1|1,0,0]=4 759 B10R1.361 CC(C)N1CCC1C(=O)O 269956a_100000021838_100000210206 [1,0,0,1,0,1|1,0,0]=4 760 B10R1.219 CNC(C(=O)O)C1CCC1 269956a_100000765838_200000210301 [1,1,0,1,0,0|1,0,0]=4 761 B10R1.219 [13CH3]NC(C(=O)O)C1CCC1 269956a_100000765838_200025704644 [1,1,0,1,0,0|1,0,0]=4 762 B10R1.477 CNC1(CCCC1)C(=O)O 269956a_100000739329_200000210301 [1,1,0,1,0,0|1,0,0]=4 763 B10R1.477 [13CH3]NC1(CCCC1)C(=O)O 269956a_100000739329_200025704644 [1,1,0,1,0,0|1,0,0]=4 764 B10R1.150 COC(=O)CC1CN(C1)C 269982a_100016993681_200000210301 [1,1,0,1,0,0|1,0,0]=4 765 B10R1.150 COC(=O)CC1CN(C1)[13CH3] 269982a_100016993681_200025704644 [1,1,0,1,0,0|1,0,0]=4 766 B12R1.471 COC(=O)[C@H](N)COCC1CC1 34a_100000003586_100000742324 [0,1,0,1,0,1|1,0,0]=4 767 B12R1.901 CC(C)C1SCC(N1C)C(=O)O 269956a_200025745599_200000210301 [0,1,0,1,0,1|1,0,0]=4 768 B12R1.901 CC(C)C1SCC(N1[13CH3])C(=O)O 269956a_200025745599_200025704644 [0,1,0,1,0,1|1,0,0]=4 769 B12R1.3824 CN1CCC(CC1)(N[13CH3])C(=O)O 269956a_200000238635_200025704644 [0,2,0,1,0,0|1,0,0]=4 770 B12R1.3824 CNC1(CCN(CC1)C)C(=O)O 269956a_200000238635_200000210301 [0,2,0,1,0,0|1,0,0]=4 771 B10R0.97 CC(=CCCNCC(=O)O)C 269956a_100016091260_100011217483 [1,0,0,0,0,2|1,0,0]=4 772 B10R0.97 CC(C)CCCNCC(=O)O 269956a_100016091260_100011214892 [1,0,0,0,0,2|1,0,0]=4 773 B10R0.97 CC(C)CCNOCC(=O)O 269956a_100000106656_100000210312 [1,0,0,0,0,2|1,0,0]=4 774 B10R0.97 CC(C)NCCOCC(=O)O 269956a_100000700818_100000210206 [1,0,0,0,0,2|1,0,0]=4 775 B10R0.97 CC(C)OCCNCC(=O)O 269956a_100016091260_100000211751 [1,0,0,0,0,2|1,0,0]=4 776 B10R0.97 CC(C)SCCNCC(=O)O 269956a_100016091260_100000730970 [1,0,0,0,0,2|1,0,0]=4 777 B10R0.97 CN(C)CCCNCC(=O)O 269956a_100016091260_100000757444 [1,0,0,0,0,2|1,0,0]=4 778 B10R0.97 CN(C)CCNOCC(=O)O 269956a_100000106656_100000755713 [1,0,0,0,0,2|1,0,0]=4