0 B9R0.7 C=C(C)CN[C@@H](C)C(=O)O 269956a_100000743915_100000748629 [0,0,0,0,0,0|4,0,0]=4 1 B9R0.7 CC(=O)C(C)CCC(C)C 1458a_100000070787_100011261404 [0,0,0,0,0,0|4,0,0]=4 2 B9R0.7 CC(=O)CCN(C)C(=O)C 1458a_100011216537_200000210301 [0,0,0,0,0,0|4,0,0]=4 3 B9R0.7 CC(=O)COC(C)C(=O)N 34a_100000211253_100000702099 [0,0,0,0,0,0|4,0,0]=4 4 B9R0.7 CC(=O)COC(F)C(=O)N 34a_100000211253_100009813875 [0,0,0,0,0,0|4,0,0]=4 5 B9R0.7 CC(=O)COC(F)C(=O)[O-] 34a_100000211253_100020610796 [0,0,0,0,0,0|3,0,1]=4 6 B9R0.7 CC(=O)N(C)CCC(=O)[13CH3] 1458a_100011216537_200025704644 [0,0,0,0,0,0|4,0,0]=4 7 B9R0.7 CC(=O)SC[C@@H](C)C(=O)C 1458a_200015407212_200000210301 [0,0,0,0,0,0|4,0,0]=4 8 B9R0.7 CC(=O)SC[C@@H](C)C(=O)[13CH3] 1458a_200015407212_200025704644 [0,0,0,0,0,0|4,0,0]=4 9 B9R0.7 CC(C)CN[C@@H](C)C(=O)O 269956a_100000743915_100000210760 [0,0,0,0,0,0|4,0,0]=4 10 B9R0.7 CC(C)NCC(C)C(=O)O 269956a_100000749485_100000210206 [0,0,0,0,0,0|4,0,0]=4 11 B9R0.7 CC(C)NCC(F)C(=O)O 269956a_100000084737_100000210206 [0,0,0,0,0,0|4,0,0]=4 12 B9R0.7 CC(C)OC[C@H](N)C(=O)N 34a_100000729942_100000210206 [0,0,0,0,0,0|4,0,0]=4 13 B9R0.7 CC(O)CN[C@@H](C)C(=O)O 269956a_100000743915_100011218427 [0,0,0,0,0,0|3,0,1]=4 14 B9R0.7 C[C@H](NCC(=O)N)C(=O)O 269956a_100000743915_100000187820 [0,0,0,0,0,0|4,0,0]=4 15 B9R0.7 C[C@H](NCC(=O)[O-])C(=O)O 269956a_100000743915_100020667443 [0,0,0,0,0,0|4,0,0]=4 16 B9R0.7 C[C@H](NC[C@@H](C)O)C(=O)O 269956a_100000743915_100009817552 [0,0,0,0,0,0|3,0,1]=4 17 B9R0.7 C[C@H](NC[N+](=O)[O-])C(=O)O 269956a_100000743915_100000761209 [0,0,0,0,0,0|4,0,0]=4 18 B8R0.8 CCCCC(C)C(=O)C 1458a_100000070787_200011215066 [1,0,0,0,0,0|3,0,0]=4 19 B8R0.8 CCCCC(C)C(=O)C 1458a_100000725509_200000210301 [1,0,0,0,0,0|3,0,0]=4 20 B8R0.8 CCCCC(C)C(=O)[13CH3] 1458a_100000725509_200025704644 [1,0,0,0,0,0|3,0,0]=4 21 B8R0.8 CCCCC(O)C(=O)C 1458a_100000720857_200000210301 [1,0,0,0,0,0|3,0,0]=4 22 B8R0.8 CCCCC(O)C(=O)[13CH3] 1458a_100000720857_200025704644 [1,0,0,0,0,0|3,0,0]=4 23 B8R0.8 CCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210207 [1,0,0,0,0,0|3,0,0]=4 24 B8R0.8 CCNCC(C)C(=O)O 269956a_100000749485_100000210202 [1,0,0,0,0,0|3,0,0]=4 25 B8R0.8 CCNCC(F)C(=O)O 269956a_100000084737_100000210202 [1,0,0,0,0,0|3,0,0]=4 26 B8R0.8 CCOC[C@H](N)C(=O)N 34a_100000729942_100000210202 [1,0,0,0,0,0|3,0,0]=4 27 B8R0.8 COCN[C@@H](C)C(=O)O 269956a_100000743915_100000766300 [1,0,0,0,0,0|2,1,0]=4 28 B8R0.8 CSCCC(O)C(=O)C 1458a_100000685904_200000210301 [1,0,0,0,0,0|2,0,1]=4 29 B8R0.8 CSCCC(O)C(=O)[13CH3] 1458a_100000685904_200025704644 [1,0,0,0,0,0|2,0,1]=4 30 B8R0.8 CSCN[C@@H](C)C(=O)O 269956a_100000743915_100011218213 [1,0,0,0,0,0|2,0,1]=4 31 B8R0.8 C[C@H](NCC=O)C(=O)O 269956a_100000743915_200015260668 [1,0,0,0,0,0|3,0,0]=4 32 B8R0.28 C=C(C)CNCC(=O)O 269956a_100016091260_100000748629 [1,0,0,0,0,0|3,0,0]=4 33 B8R0.28 CC(=O)CCCC(=O)C 1458a_100000070787_100011215641 [1,0,0,0,0,0|2,0,0]=3 34 B8R0.28 CC(=O)CCCC(=O)N 1458a_100000070787_100102525003 [1,0,0,0,0,0|2,0,0]=3 35 B8R0.28 CC(=O)CCCC(C)C 1458a_100000070787_100011214892 [1,0,0,0,0,0|3,0,0]=4 36 B8R0.28 CC(=O)CCCC(C)C 1458a_100011216857_200000210301 [1,0,0,0,0,0|3,0,0]=4 37 B8R0.28 CC(=O)CCCC(C)O 1458a_100000070787_200000718107 [1,0,0,0,0,0|2,0,1]=4 38 B8R0.28 CC(=O)CCCN(C)C 1458a_100000070787_100000695564 [1,0,0,0,0,0|3,0,0]=4 39 B8R0.28 CC(=O)CCCN(C)C 269982a_100102631434_100011215641 [1,0,0,0,0,0|3,0,0]=4 40 B8R0.28 CC(=O)CCC[N+](=O)[O-] 1458a_100016109205_200000210301 [1,0,0,0,0,0|2,0,1]=4 41 B8R0.28 CC(=O)CCNC(=O)C 1458a_100000070787_100000189650 [1,0,0,0,0,0|3,0,0]=4 42 B8R0.28 CC(=O)CCNC(=O)C 1458a_100000183196_200000210301 [1,0,0,0,0,0|3,0,0]=4 43 B8R0.28 CC(=O)CCNC(=O)N 1458a_100000070787_200000034859 [1,0,0,0,0,0|3,0,0]=4 44 B8R0.28 CC(=O)CCNC(=O)N 1458a_100000181464_200000210301 [1,0,0,0,0,0|3,0,0]=4 45 B8R0.28 CC(=O)CCOC(=O)C 1458a_100000070787_100009814007 [1,0,0,0,0,0|3,0,0]=4 46 B8R0.28 CC(=O)CCOC(=O)N 1458a_100000070787_200011214921 [1,0,0,0,0,0|3,0,0]=4 47 B8R0.28 CC(=O)CCSC(=O)C 1458a_100000048949_200000210301 [1,0,0,0,0,0|3,0,0]=4 48 B8R0.28 CC(=O)COCC(=O)N 1458a_100011219004_200000210301 [1,0,0,0,0,0|3,0,0]=4 49 B8R0.28 CC(=O)COCC(=O)N 34a_100000211253_100000187820 [1,0,0,0,0,0|3,0,0]=4 50 B8R0.28 CC(=O)COCC(=O)[O-] 34a_100000211253_100020667443 [1,0,0,0,0,0|2,0,1]=4 51 B8R0.28 CC(=O)NCCC(=O)N 11a_100000740010_100015343762 [1,0,0,0,0,0|3,0,0]=4 52 B8R0.28 CC(=O)NCCC(=O)N 240690a_100000740010_100015343762 [1,0,0,0,0,0|3,0,0]=4 53 B8R0.28 CC(=O)NCCC(=O)N 527a_100000740010_100103153847 [1,0,0,0,0,0|3,0,0]=4 54 B8R0.28 CC(=O)NCCC(=O)[13CH3] 1458a_100000183196_200025704644 [1,0,0,0,0,0|3,0,0]=4 55 B8R0.28 CC(=O)SCCC(=O)[13CH3] 1458a_100000048949_200025704644 [1,0,0,0,0,0|3,0,0]=4 56 B8R0.28 CC(C)CCCC(=O)[13CH3] 1458a_100011216857_200025704644 [1,0,0,0,0,0|3,0,0]=4 57 B8R0.28 CC(C)CNCC(=O)O 269956a_100016091260_100000210760 [1,0,0,0,0,0|3,0,0]=4 58 B8R0.28 CC(O)CNCC(=O)O 269956a_100016091260_100011218427 [1,0,0,0,0,0|2,0,1]=4 59 B8R0.28 CN(C)CCCC(=O)N 269982a_100102631434_100102525003 [1,0,0,0,0,0|3,0,0]=4 60 B8R0.28 CN(C)CCCC(=O)O 269956a_100000719178_200000210301 [1,0,0,0,0,0|2,0,0]=3 61 B8R0.28 CN([13CH3])CCCC(=O)O 269956a_100000719178_200025704644 [1,0,0,0,0,0|2,0,0]=3 62 B8R0.28 C[C@@H](O)CNCC(=O)O 269956a_100016091260_100009817552 [1,0,0,0,0,0|2,0,1]=4 63 B8R0.28 NC(=O)CNCC(=O)O 269956a_100016091260_100000187820 [1,0,0,0,0,0|3,0,0]=4 64 B8R0.28 O=C(O)CNC[N+](=O)[O-] 269956a_100016091260_100000761209 [1,0,0,0,0,0|3,0,0]=4 65 B8R0.28 O=C([O-])CNCC(=O)O 269956a_100016091260_100020667443 [1,0,0,0,0,0|3,0,0]=4 66 B8R0.28 [13CH3]C(=O)CCC[N+](=O)[O-] 1458a_100016109205_200025704644 [1,0,0,0,0,0|2,0,1]=4 67 B8R0.28 [13CH3]C(=O)CCNC(=O)N 1458a_100000181464_200025704644 [1,0,0,0,0,0|3,0,0]=4 68 B8R0.28 [13CH3]C(=O)COCC(=O)N 1458a_100011219004_200025704644 [1,0,0,0,0,0|3,0,0]=4 69 B10R0.57 CC(C)CCC(C)C(=O)CO 1458a_100000210174_100011261404 [0,1,0,0,0,0|3,0,0]=4 70 B10R0.57 COC(=O)C(C)CCC(=O)C 1458a_100000070787_100000034942 [0,1,0,0,0,0|2,0,0]=3 71 B10R0.57 COC(=O)C(C)CCN(C)C 2230a_100102631434_100000034942 [0,1,0,0,0,0|3,0,0]=4 72 B10R0.57 COC(=O)C(C)CCN(C)C 269982a_100102631434_100000034942 [0,1,0,0,0,0|3,0,0]=4 73 B10R0.57 COC(=O)C(C)OCC(=O)C 34a_100000211253_100000211248 [0,1,0,0,0,0|3,0,0]=4 74 B10R0.57 COC(=O)C(O)CNC(=O)C 188690a_100000695228_100015343762 [0,1,0,0,0,0|3,0,0]=4 75 B10R0.57 COC(=O)[C@H](N)COC(C)C 34a_100000003586_100000210206 [0,1,0,0,0,0|3,0,0]=4 76 B10R0.82 CCC(=O)CN[C@@H](C)C(=O)O 269956a_100000743915_100000747405 [0,1,0,0,0,0|3,0,0]=4 77 B10R0.82 CNC(=O)CN[C@@H](C)C(=O)O 269956a_100000743915_100000183359 [0,1,0,0,0,0|3,0,0]=4 78 B10R0.82 COC(=O)CN[C@@H](C)C(=O)O 269956a_100000743915_100000747449 [0,1,0,0,0,0|3,0,0]=4 79 B10R0.84 CC(=CCC(N[13CH3])C(=O)O)C 269956a_100102631519_200025704644 [0,1,0,0,0,0|2,0,1]=4 80 B10R0.84 CNC(CC=C(C)C)C(=O)O 269956a_100102631519_200000210301 [0,1,0,0,0,0|2,0,1]=4 81 B10R0.84 CNC(CC[S+](C)C)C(=O)O 269956a_100000210779_200000210301 [0,1,0,0,0,0|1,0,1]=3 82 B10R0.84 CN[C@@H](CCC(=O)N)C(=O)N 2230a_200000143477_200000210301 [0,1,0,0,0,0|3,0,0]=4 83 B10R0.84 CN[C@@H](CCC(=O)N)C(=O)N 34a_200000143477_200000210301 [0,1,0,0,0,0|3,0,0]=4 84 B10R0.84 CN[C@@H](CCS(=O)C)C(=O)O 269956a_100015235763_200000210301 [0,1,0,0,0,0|0,0,0]=1 85 B10R0.84 CS(=O)CC[C@H](N[13CH3])C(=O)O 269956a_100015235763_200025704644 [0,1,0,0,0,0|0,0,0]=1 86 B10R0.84 C[S+](C)CCC(N[13CH3])C(=O)O 269956a_100000210779_200025704644 [0,1,0,0,0,0|1,0,1]=3 87 B10R0.84 [13CH3]N[C@@H](CCC(=O)N)C(=O)N 2230a_200000143477_200025704644 [0,1,0,0,0,0|3,0,0]=4 88 B10R0.84 [13CH3]N[C@@H](CCC(=O)N)C(=O)N 34a_200000143477_200025704644 [0,1,0,0,0,0|3,0,0]=4 89 B10R0.93 CC(=O)C(C)N[C@@H](C)C(=O)O 269956a_100000743915_100009814033 [0,1,0,0,0,0|3,0,0]=4 90 B10R1.13 CC(=O)N1CCS(=O)CC1 240690a_100000752083_100015343762 [0,0,0,1,0,0|3,0,0]=4 91 B10R1.13 CC(=O)N1CCS(=O)CC1 527a_100000752083_100103153847 [0,0,0,1,0,0|3,0,0]=4 92 B10R1.13 CN1CCC(CC1)C(=O)O 269956a_100000210459_200000210301 [0,0,0,1,0,0|3,0,0]=4 93 B10R1.13 [13CH3]N1CCC(CC1)C(=O)O 269956a_100000210459_200025704644 [0,0,0,1,0,0|3,0,0]=4 94 B10R1.117 CC(=O)CCC1CCC1=O 1458a_100000070787_200016118888 [0,0,0,1,0,0|3,0,0]=4 95 B10R0.96 CC(=O)CCN(C)CC(=O)O 269956a_100000746989_100000053229 [0,0,0,0,0,1|3,0,0]=4 96 B10R0.98 C=C(C)CCN[C@@H](C)C(=O)O 269956a_100000743915_100000730704 [0,0,0,0,0,1|3,0,0]=4 97 B10R0.98 C=C(C)CNCC(C)C(=O)O 269956a_100000749485_100000748629 [0,0,0,0,0,1|3,0,0]=4 98 B10R0.98 C=C(C)CNCC(F)C(=O)O 269956a_100000084737_100000748629 [0,0,0,0,0,1|3,0,0]=4 99 B10R0.98 C=C(C)COC[C@H](N)C(=O)N 34a_100000729942_100000748629 [0,0,0,0,0,1|3,0,0]=4 100 B10R0.98 CC(=O)CCN[C@@H](C)C(=O)O 269956a_100000743915_100000053229 [0,0,0,0,0,1|2,0,0]=3 101 B10R0.98 CC(=O)CCOC(C)C(=O)C 7a_100000759926_100000179758 [0,0,0,0,0,1|3,0,0]=4 102 B10R0.98 CC(=O)CCOC(C)C(=O)N 34a_100000759926_100000702099 [0,0,0,0,0,1|3,0,0]=4 103 B10R0.98 CC(=O)CCOC(C)C(=O)N 7a_100000759926_100000702099 [0,0,0,0,0,1|3,0,0]=4 104 B10R0.98 CC(=O)CCOC(F)C(=O)N 34a_100000759926_100009813875 [0,0,0,0,0,1|3,0,0]=4 105 B10R0.98 CC(=O)CCOC(F)C(=O)N 7a_100000759926_100009813875 [0,0,0,0,0,1|3,0,0]=4 106 B10R0.98 CC(=O)CCOC(F)C(=O)[O-] 34a_100000759926_100020610796 [0,0,0,0,0,1|2,0,1]=4 107 B10R0.98 CC(=O)CCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000053229 [0,0,0,0,0,1|2,0,1]=4 108 B10R0.98 CC(=O)CCO[C@H](C)C(=O)N 7a_100000731257_100000053229 [0,0,0,0,0,1|3,0,0]=4 109 B10R0.98 CC(=O)CCSC(C)C(=O)C 62a_100000053229_100009814033 [0,0,0,0,0,1|3,0,0]=4 110 B10R0.98 CC(=O)CCSC(C)C(=O)C 62a_100009814033_100000053229 [0,0,0,0,0,1|3,0,0]=4 111 B10R0.98 CC(=O)CCSC(C)C(=O)N 62a_100000053229_100000702099 [0,0,0,0,0,1|3,0,0]=4 112 B10R0.98 CC(=O)CCSC(C)C(=O)N 62a_100000702099_100000053229 [0,0,0,0,0,1|3,0,0]=4 113 B10R0.98 CC(=O)CCSC(F)C(=O)N 62a_100000053229_100009813875 [0,0,0,0,0,1|3,0,0]=4 114 B10R0.98 CC(=O)CCSC(F)C(=O)N 62a_100009813875_100000053229 [0,0,0,0,0,1|3,0,0]=4 115 B10R0.98 CC(=O)CCSC(F)C(=O)[O-] 62a_100000053229_100020610796 [0,0,0,0,0,1|2,0,1]=4 116 B10R0.98 CC(=O)CCSC(F)C(=O)[O-] 62a_100020610796_100000053229 [0,0,0,0,0,1|2,0,1]=4 117 B10R0.98 CC(=O)OCN[C@@H](C)C(=O)O 269956a_100000743915_100000076356 [0,0,0,0,0,1|3,0,0]=4 118 B10R0.98 CC(C)CCN[C@@H](C)C(=O)O 269956a_100000743915_100000210312 [0,0,0,0,0,1|3,0,0]=4 119 B10R0.98 CC(C)CNCC(C)C(=O)O 269956a_100000749485_100000210760 [0,0,0,0,0,1|3,0,0]=4 120 B10R0.98 CC(C)CNCC(F)C(=O)O 269956a_100000084737_100000210760 [0,0,0,0,0,1|3,0,0]=4 121 B10R0.98 CC(C)COC[C@H](N)C(=O)N 34a_100000729942_100000210624 [0,0,0,0,0,1|3,0,0]=4 122 B10R0.98 CC(CNCC(=O)N)C(=O)O 269956a_100000749485_100000187820 [0,0,0,0,0,1|3,0,0]=4 123 B10R0.98 CC(CNCC(=O)[O-])C(=O)O 269956a_100000749485_100020667443 [0,0,0,0,0,1|3,0,0]=4 124 B10R0.98 CC(CNC[C@@H](C)O)C(=O)O 269956a_100000749485_100009817552 [0,0,0,0,0,1|2,0,1]=4 125 B10R0.98 CC(CNC[N+](=O)[O-])C(=O)O 269956a_100000749485_100000761209 [0,0,0,0,0,1|3,0,0]=4 126 B10R0.98 CC(O)CCN[C@@H](C)C(=O)O 269956a_100000743915_100012276601 [0,0,0,0,0,1|2,0,1]=4 127 B10R0.98 CC(O)CNCC(C)C(=O)O 269956a_100000749485_100011218427 [0,0,0,0,0,1|2,0,1]=4 128 B10R0.98 CC(O)CNCC(F)C(=O)O 269956a_100000084737_100011218427 [0,0,0,0,0,1|2,0,1]=4 129 B10R0.98 CC(O)COC[C@H](N)C(=O)N 34a_100000729942_100011218427 [0,0,0,0,0,1|2,0,1]=4 130 B10R0.98 C[C@@H](O)CNCC(F)C(=O)O 269956a_100000084737_100009817552 [0,0,0,0,0,1|2,0,1]=4 131 B10R0.98 C[C@@H](O)COC[C@H](N)C(=O)N 34a_100000729942_100009817552 [0,0,0,0,0,1|2,0,1]=4 132 B10R0.98 C[C@H](NCCC(=O)N)C(=O)O 269956a_100000743915_100000744528 [0,0,0,0,0,1|3,0,0]=4 133 B10R0.98 C[C@H](NCCN(C)C)C(=O)O 269956a_100000743915_100000755713 [0,0,0,0,0,1|3,0,0]=4 134 B10R0.98 NC(=O)CNCC(F)C(=O)O 269956a_100000084737_100000187820 [0,0,0,0,0,1|3,0,0]=4 135 B10R0.98 NC(=O)COC[C@H](N)C(=O)N 34a_100000729942_100000187820 [0,0,0,0,0,1|3,0,0]=4 136 B10R0.98 NC(=O)[C@@H](N)COCC(=O)[O-] 34a_100000729942_100020667443 [0,0,0,0,0,1|3,0,0]=4 137 B10R0.98 NC(=O)[C@@H](N)COC[N+](=O)[O-] 34a_100000729942_100000761209 [0,0,0,0,0,1|3,0,0]=4 138 B10R0.98 O=C(O)C(F)CNC[N+](=O)[O-] 269956a_100000084737_100000761209 [0,0,0,0,0,1|3,0,0]=4 139 B10R0.98 O=C([O-])CNCC(F)C(=O)O 269956a_100000084737_100020667443 [0,0,0,0,0,1|3,0,0]=4 140 B7R0.4 C=CCCCC(=O)C 1458a_100000070787_100000757094 [2,0,0,0,0,0|2,0,0]=4 141 B7R0.4 C=CCCCC(=O)C 1458a_100000766728_200000210301 [2,0,0,0,0,0|2,0,0]=4 142 B7R0.4 C=CCCCC(=O)[13CH3] 1458a_100000766728_200025704644 [2,0,0,0,0,0|2,0,0]=4 143 B7R0.4 CC(=O)CCCCO 1458a_100000070787_100000210776 [2,0,0,0,0,0|1,0,1]=4 144 B7R0.4 CC(=O)CCCCO 1458a_100000695505_200000210301 [2,0,0,0,0,0|1,0,1]=4 145 B7R0.4 CC(=O)CCCO[13CH3] 34a_100000759063_200025704644 [2,0,0,0,0,0|1,1,0]=4 146 B7R0.4 CC(=O)CCCO[13CH3] 7a_100000759063_200025704644 [2,0,0,0,0,0|1,1,0]=4 147 B7R0.4 CC(=O)CCCS[13CH3] 62a_100011215641_200025704644 [2,0,0,0,0,0|1,0,1]=4 148 B7R0.4 CC(=O)CCCS[13CH3] 62a_200025704644_100011215641 [2,0,0,0,0,0|1,0,1]=4 149 B7R0.4 CC(=O)COCC=O 34a_100000211253_200009817547 [2,0,0,0,0,0|2,0,0]=4 150 B7R0.4 CCCCCC(=O)C 1458a_100000070787_100000210326 [2,0,0,0,0,0|2,0,0]=4 151 B7R0.4 CCCCCC(=O)C 1458a_100000212188_200000210301 [2,0,0,0,0,0|2,0,0]=4 152 B7R0.4 CCCCCC(=O)[13CH3] 1458a_100000212188_200025704644 [2,0,0,0,0,0|2,0,0]=4 153 B7R0.4 CCCNCC(=O)O 269956a_100016091260_100000210207 [2,0,0,0,0,0|2,0,0]=4 154 B7R0.4 CN(C)CCCC=O 2230a_100102631434_200011292268 [2,0,0,0,0,0|2,0,0]=4 155 B7R0.4 CN(C)CCCC=O 269982a_100102631434_200011292268 [2,0,0,0,0,0|2,0,0]=4 156 B7R0.4 CNCCCC(=O)C 34a_100102657272_100000685027 [2,0,0,0,0,0|2,0,0]=4 157 B7R0.4 CNCCCC(=O)C 7a_106832991635_100011215641 [2,0,0,0,0,0|2,0,0]=4 158 B7R0.4 CNCCCC(=O)N 34a_100000739312_200000210301 [2,0,0,0,0,0|2,0,0]=4 159 B7R0.4 CNCCCC(=O)N 34a_100102657272_100102525003 [2,0,0,0,0,0|2,0,0]=4 160 B7R0.4 CNCCCC(=O)N 7a_106832991635_100102525003 [2,0,0,0,0,0|2,0,0]=4 161 B7R0.4 CNCCCS(=O)C 2230a_200000753449_200000210301 [2,0,0,0,0,0|2,0,0]=4 162 B7R0.4 COCCCC(=O)C 1458a_100000070787_100000740836 [2,0,0,0,0,0|1,1,0]=4 163 B7R0.4 COCCCC(=O)C 1458a_100000741012_200000210301 [2,0,0,0,0,0|1,1,0]=4 164 B7R0.4 COCCCC(=O)C 34a_100000759063_200000210301 [2,0,0,0,0,0|1,1,0]=4 165 B7R0.4 COCCCC(=O)C 34a_100138415774_100000685027 [2,0,0,0,0,0|1,1,0]=4 166 B7R0.4 COCCCC(=O)C 7a_100000759063_200000210301 [2,0,0,0,0,0|1,1,0]=4 167 B7R0.4 COCCCC(=O)N 34a_100138415774_100102525003 [2,0,0,0,0,0|1,1,0]=4 168 B7R0.4 COCCCC(=O)[13CH3] 1458a_100000741012_200025704644 [2,0,0,0,0,0|1,1,0]=4 169 B7R0.4 COCNCC(=O)O 269956a_100016091260_100000766300 [2,0,0,0,0,0|1,1,0]=4 170 B7R0.4 CS(=O)CCCN[13CH3] 2230a_200000753449_200025704644 [2,0,0,0,0,0|2,0,0]=4 171 B7R0.4 CSCCCC(=O)C 1458a_100000173376_200000210301 [2,0,0,0,0,0|1,0,1]=4 172 B7R0.4 CSCCCC(=O)C 62a_100011215641_200000210301 [2,0,0,0,0,0|1,0,1]=4 173 B7R0.4 CSCCCC(=O)C 62a_200000210301_100011215641 [2,0,0,0,0,0|1,0,1]=4 174 B7R0.4 CSCCCC(=O)N 62a_100102525003_200000210301 [2,0,0,0,0,0|1,0,1]=4 175 B7R0.4 CSCCCC(=O)N 62a_200000210301_100102525003 [2,0,0,0,0,0|1,0,1]=4 176 B7R0.4 CSCCCC(=O)[13CH3] 1458a_100000173376_200025704644 [2,0,0,0,0,0|1,0,1]=4 177 B7R0.4 CSCNCC(=O)O 269956a_100016091260_100011218213 [2,0,0,0,0,0|1,0,1]=4 178 B7R0.4 O=CCNCC(=O)O 269956a_100016091260_200015260668 [2,0,0,0,0,0|2,0,0]=4 179 B7R0.4 [13CH3]C(=O)CCCCO 1458a_100000695505_200025704644 [2,0,0,0,0,0|1,0,1]=4 180 B7R0.4 [13CH3]NCCCC(=O)N 34a_100000739312_200025704644 [2,0,0,0,0,0|2,0,0]=4 181 B7R0.4 [13CH3]SCCCC(=O)N 62a_100102525003_200025704644 [2,0,0,0,0,0|1,0,1]=4 182 B7R0.4 [13CH3]SCCCC(=O)N 62a_200025704644_100102525003 [2,0,0,0,0,0|1,0,1]=4 183 B7R0.5 CC(CN[13CH3])C(=O)O 269956a_100000749485_200025704644 [2,0,0,0,0,0|2,0,0]=4 184 B7R0.5 CCCC(C)C(=O)C 1458a_100000070787_100000766640 [2,0,0,0,0,0|2,0,0]=4 185 B7R0.5 CCCC(C)C(=O)C 1458a_100000210906_200000210301 [2,0,0,0,0,0|2,0,0]=4 186 B7R0.5 CCCC(C)C(=O)[13CH3] 1458a_100000210906_200025704644 [2,0,0,0,0,0|2,0,0]=4 187 B7R0.5 CCC[C@H](O)C(=O)C 1458a_100009822183_200000210301 [2,0,0,0,0,0|2,0,0]=4 188 B7R0.5 CCC[C@H](O)C(=O)[13CH3] 1458a_100009822183_200025704644 [2,0,0,0,0,0|2,0,0]=4 189 B7R0.5 CCN[C@@H](C)C(=O)O 269956a_100000743915_100000210202 [2,0,0,0,0,0|2,0,0]=4 190 B7R0.5 CNCC(C)C(=O)O 269956a_100000749485_200000210301 [2,0,0,0,0,0|2,0,0]=4 191 B7R0.5 CNCC(F)C(=O)O 269956a_100000084737_200000210301 [2,0,0,0,0,0|2,0,0]=4 192 B7R0.5 COC[C@H](N)C(=O)N 34a_100000729942_200000210301 [2,0,0,0,0,0|1,1,0]=4 193 B7R0.5 [13CH3]NCC(F)C(=O)O 269956a_100000084737_200025704644 [2,0,0,0,0,0|2,0,0]=4 194 B7R0.5 [13CH3]OC[C@H](N)C(=O)N 34a_100000729942_200025704644 [2,0,0,0,0,0|1,1,0]=4 195 B7R0.6 CC(=O)CCC(=O)N 1458a_100011215257_200000210301 [2,0,0,0,0,0|1,0,1]=4 196 B7R0.6 CC(=O)CCC(C)O 1458a_100000070787_100012276601 [2,0,0,0,0,0|2,0,0]=4 197 B7R0.6 [13CH3]C(=O)CCC(=O)N 1458a_100011215257_200025704644 [2,0,0,0,0,0|1,0,1]=4 198 B9R0.8 CCCCC(C)C(=O)CO 1458a_100000210174_200011215066 [1,1,0,0,0,0|2,0,0]=4 199 B9R0.8 CCOC[C@@H](N)C(=O)OC 34a_100000003586_100000210202 [1,1,0,0,0,0|2,0,0]=4 200 B9R0.8 CNCCC(C)C(=O)OC 2230a_106832991635_100000034942 [1,1,0,0,0,0|2,0,0]=4 201 B9R0.8 CNCCC(C)C(=O)OC 34a_100102657272_100000034942 [1,1,0,0,0,0|2,0,0]=4 202 B9R0.8 CNCCC(C)C(=O)OC 7a_106832991635_100000034942 [1,1,0,0,0,0|2,0,0]=4 203 B9R0.8 COC(=O)C(C)CCSC 62a_100000034942_200000210301 [1,1,0,0,0,0|1,0,1]=4 204 B9R0.8 COC(=O)C(C)CCSC 62a_200000210301_100000034942 [1,1,0,0,0,0|1,0,1]=4 205 B9R0.8 COC(=O)C(C)CCS[13CH3] 62a_100000034942_200025704644 [1,1,0,0,0,0|1,0,1]=4 206 B9R0.8 COC(=O)C(C)CCS[13CH3] 62a_200025704644_100000034942 [1,1,0,0,0,0|1,0,1]=4 207 B9R0.8 COCCC(C)C(=O)OC 34a_100138415774_100000034942 [1,1,0,0,0,0|1,1,0]=4 208 B9R0.13 CCCCC(NC)C(=O)N 2230a_106832991635_100000748834 [1,1,0,0,0,0|2,0,0]=4 209 B9R0.13 CCCCC(NC)C(=O)N 34a_100102657272_100000748834 [1,1,0,0,0,0|2,0,0]=4 210 B9R0.13 CCCCC(NC)C(=O)N 7a_106832991635_100000748834 [1,1,0,0,0,0|2,0,0]=4 211 B9R0.13 CCCC[C@H](NC)C(=O)N 2230a_100000124899_200000210301 [1,1,0,0,0,0|2,0,0]=4 212 B9R0.13 CCCC[C@H](NC)C(=O)N 34a_100000124899_200000210301 [1,1,0,0,0,0|2,0,0]=4 213 B9R0.13 CCCC[C@H](N[13CH3])C(=O)N 2230a_100000124899_200025704644 [1,1,0,0,0,0|2,0,0]=4 214 B9R0.13 CCCC[C@H](N[13CH3])C(=O)N 34a_100000124899_200025704644 [1,1,0,0,0,0|2,0,0]=4 215 B9R0.13 CN[C@@H](CCSC)C(=O)N 2230a_100000119342_200000210301 [1,1,0,0,0,0|1,0,1]=4 216 B9R0.13 CN[C@@H](CCSC)C(=O)N 34a_100000119342_200000210301 [1,1,0,0,0,0|1,0,1]=4 217 B9R0.13 CN[C@@H](CCSC)C(=O)O 269956a_100000743919_200000210301 [1,1,0,0,0,0|0,0,1]=3 218 B9R0.13 CN[C@@H](CC[Se]C)C(=O)O 269956a_100020619752_200000210301 [1,1,0,0,0,0|0,1,0]=3 219 B9R0.13 CSCC[C@H](N[13CH3])C(=O)N 2230a_100000119342_200025704644 [1,1,0,0,0,0|1,0,1]=4 220 B9R0.13 CSCC[C@H](N[13CH3])C(=O)N 34a_100000119342_200025704644 [1,1,0,0,0,0|1,0,1]=4 221 B9R0.13 CSCC[C@H](N[13CH3])C(=O)O 269956a_100000743919_200025704644 [1,1,0,0,0,0|0,0,1]=3 222 B9R0.13 C[Se]CC[C@H](N[13CH3])C(=O)O 269956a_100020619752_200025704644 [1,1,0,0,0,0|0,1,0]=3 223 B9R0.47 CC(CNCC=O)C(=O)O 269956a_100000749485_200015260668 [1,1,0,0,0,0|2,0,0]=4 224 B9R0.47 CCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210211 [1,1,0,0,0,0|2,0,0]=4 225 B9R0.47 CCCNCC(C)C(=O)O 269956a_100000749485_100000210207 [1,1,0,0,0,0|2,0,0]=4 226 B9R0.47 CCCNCC(F)C(=O)O 269956a_100000084737_100000210207 [1,1,0,0,0,0|2,0,0]=4 227 B9R0.47 CCCOC[C@H](N)C(=O)N 34a_100000729942_100000210303 [1,1,0,0,0,0|2,0,0]=4 228 B9R0.47 COCCN[C@@H](C)C(=O)O 269956a_100000743915_100000233755 [1,1,0,0,0,0|1,1,0]=4 229 B9R0.47 COCNCC(C)C(=O)O 269956a_100000749485_100000766300 [1,1,0,0,0,0|1,1,0]=4 230 B9R0.47 COCNCC(F)C(=O)O 269956a_100000084737_100000766300 [1,1,0,0,0,0|1,1,0]=4 231 B9R0.47 CSCCN[C@@H](C)C(=O)O 269956a_100000743915_100000212216 [1,1,0,0,0,0|1,0,1]=4 232 B9R0.47 CSCNCC(C)C(=O)O 269956a_100000749485_100011218213 [1,1,0,0,0,0|1,0,1]=4 233 B9R0.47 CSCNCC(F)C(=O)O 269956a_100000084737_100011218213 [1,1,0,0,0,0|1,0,1]=4 234 B9R0.47 CSCOC[C@H](N)C(=O)N 34a_100000729942_100011218213 [1,1,0,0,0,0|1,0,1]=4 235 B9R0.47 NC(=O)[C@@H](N)COCC=O 34a_100000729942_200009817547 [1,1,0,0,0,0|2,0,0]=4 236 B9R0.47 O=CCNCC(F)C(=O)O 269956a_100000084737_200015260668 [1,1,0,0,0,0|2,0,0]=4 237 B9R0.1 C#CC(=O)CCCC(=O)C 1458a_100000211873_100011215641 [1,1,0,0,0,0|2,0,0]=4 238 B9R0.1 C=CC(=O)CCCC(=O)C 1458a_100000185746_100011215641 [1,1,0,0,0,0|2,0,0]=4 239 B9R0.1 CC(=O)CCCC(=O)CO 1458a_100000210174_100011215641 [1,1,0,0,0,0|1,0,0]=3 240 B9R0.1 CC(=O)CCCN(C)N=O 1458a_200000076914_200000210301 [1,1,0,0,0,0|2,0,0]=4 241 B9R0.1 CC(=O)NCCC(=O)CO 1458a_100000210174_100000189650 [1,1,0,0,0,0|2,0,0]=4 242 B9R0.1 CC(=O)OCCC(=O)CO 1458a_100000210174_100009814007 [1,1,0,0,0,0|2,0,0]=4 243 B9R0.1 CC(C)CCCC(=O)CO 1458a_100000210174_100011214892 [1,1,0,0,0,0|2,0,0]=4 244 B9R0.1 CC(O)CCCC(=O)CO 1458a_100000210174_200000718107 [1,1,0,0,0,0|1,0,1]=4 245 B9R0.1 CCC(=O)CCCC(=O)C 1458a_100000210414_100011215641 [1,1,0,0,0,0|2,0,0]=4 246 B9R0.1 CCC(=O)CCCC(=O)N 1458a_100000210414_100102525003 [1,1,0,0,0,0|2,0,0]=4 247 B9R0.1 CCC(=O)CNCC(=O)O 269956a_100016091260_100000747405 [1,1,0,0,0,0|2,0,0]=4 248 B9R0.1 CCN(C)CCCC(=O)O 269956a_100000719178_100000210202 [1,1,0,0,0,0|2,0,0]=4 249 B9R0.1 CN(C)CCCC(=O)CO 1458a_100000210174_100000695564 [1,1,0,0,0,0|2,0,0]=4 250 B9R0.1 CN(CCCC(=O)[13CH3])N=O 1458a_200000076914_200025704644 [1,1,0,0,0,0|2,0,0]=4 251 B9R0.1 CN(CF)CCCC(=O)O 269956a_100000719178_100015361967 [1,1,0,0,0,0|2,0,0]=4 252 B9R0.1 CNC(=O)CCCC(=O)C 1458a_100000070787_100000741757 [1,1,0,0,0,0|2,0,0]=4 253 B9R0.1 CNC(=O)CNCC(=O)O 269956a_100016091260_100000183359 [1,1,0,0,0,0|2,0,0]=4 254 B9R0.1 COC(=O)CCCC(=O)C 1458a_100000070787_100011218270 [1,1,0,0,0,0|1,0,0]=3 255 B9R0.1 COC(=O)CCCC(=O)C 1458a_100000239890_200000210301 [1,1,0,0,0,0|1,0,0]=3 256 B9R0.1 COC(=O)CCCC(=O)[13CH3] 1458a_100000239890_200025704644 [1,1,0,0,0,0|1,0,0]=3 257 B9R0.1 COC(=O)CCCN(C)C 2230a_100102631434_100011218270 [1,1,0,0,0,0|2,0,0]=4 258 B9R0.1 COC(=O)CCCN(C)C 269982a_100000739225_200000210301 [1,1,0,0,0,0|2,0,0]=4 259 B9R0.1 COC(=O)CCCN(C)C 269982a_100102631434_100011218270 [1,1,0,0,0,0|2,0,0]=4 260 B9R0.1 COC(=O)CCCN(C)[13CH3] 269982a_100000739225_200025704644 [1,1,0,0,0,0|2,0,0]=4 261 B9R0.1 COC(=O)CCNC(=O)C 188690a_100000683876_100015343762 [1,1,0,0,0,0|2,0,0]=4 262 B9R0.1 COC(=O)CNCC(=O)O 269956a_100016091260_100000747449 [1,1,0,0,0,0|2,0,0]=4 263 B9R0.1 COC(=O)COCC(=O)C 34a_100000211253_100000747449 [1,1,0,0,0,0|2,0,0]=4 264 B9R0.1 COC(=O)CSCC(=O)C 1458a_100000191316_200000210301 [1,1,0,0,0,0|2,0,0]=4 265 B9R0.1 COC(=O)CSCC(=O)[13CH3] 1458a_100000191316_200025704644 [1,1,0,0,0,0|2,0,0]=4 266 B9R0.1 NC(=O)CCCC(=O)CO 1458a_100000210174_100102525003 [1,1,0,0,0,0|2,0,0]=4 267 B9R0.56 CC(=O)CCCS(=O)(=O)C 1458a_100000070787_100000754308 [1,1,0,0,0,0|1,0,1]=4 268 B9R0.39 CN[C@@H](CS(=O)C)C(=O)O 269956a_100009817418_200000210301 [0,1,0,0,1,0|0,0,0]=2 269 B9R0.39 CS(=O)C[C@H](N[13CH3])C(=O)O 269956a_100009817418_200025704644 [0,1,0,0,1,0|0,0,0]=2 270 B11R0.109 CCC(=O)CNCC(C)C(=O)O 269956a_100000749485_100000747405 [0,1,0,0,0,1|2,0,0]=4 271 B11R0.109 CCC(=O)CNCC(F)C(=O)O 269956a_100000084737_100000747405 [0,1,0,0,0,1|2,0,0]=4 272 B11R0.109 CNC(=O)CCN[C@@H](C)C(=O)O 269956a_100000743915_100000737683 [0,1,0,0,0,1|2,0,0]=4 273 B11R0.109 CNC(=O)CNCC(C)C(=O)O 269956a_100000749485_100000183359 [0,1,0,0,0,1|2,0,0]=4 274 B11R0.109 CNC(=O)CNCC(F)C(=O)O 269956a_100000084737_100000183359 [0,1,0,0,0,1|2,0,0]=4 275 B11R0.109 CNC(=O)COC[C@H](N)C(=O)N 34a_100000729942_100000183359 [0,1,0,0,0,1|2,0,0]=4 276 B11R0.109 COC(=O)CCN[C@@H](C)C(=O)O 269956a_100000743915_100000204255 [0,1,0,0,0,1|2,0,0]=4 277 B11R0.109 COC(=O)CNCC(C)C(=O)O 269956a_100000749485_100000747449 [0,1,0,0,0,1|2,0,0]=4 278 B11R0.109 COC(=O)CNCC(F)C(=O)O 269956a_100000084737_100000747449 [0,1,0,0,0,1|2,0,0]=4 279 B11R0.109 COC(=O)COC[C@H](N)C(=O)N 34a_100000729942_100000747449 [0,1,0,0,0,1|2,0,0]=4 280 B11R0.145 C=C(C)COC[C@@H](N)C(=O)OC 34a_100000003586_100000748629 [0,1,0,0,0,1|2,0,0]=4 281 B11R0.145 COC(=O)C(C)COCC(=O)C 34a_100000211253_100000698445 [0,1,0,0,0,1|2,0,0]=4 282 B11R0.145 COC(=O)C(C)OCCC(=O)C 34a_100000759926_100000211248 [0,1,0,0,0,1|2,0,0]=4 283 B11R0.145 COC(=O)C(C)OCCC(=O)C 7a_100000759926_100000211248 [0,1,0,0,0,1|2,0,0]=4 284 B11R0.145 COC(=O)C(C)SCCC(=O)C 62a_100000053229_100000211248 [0,1,0,0,0,1|2,0,0]=4 285 B11R0.145 COC(=O)C(C)SCCC(=O)C 62a_100000211248_100000053229 [0,1,0,0,0,1|2,0,0]=4 286 B11R0.145 COC(=O)[C@H](N)COCC(=O)N 34a_100000003586_100000187820 [0,1,0,0,0,1|2,0,0]=4 287 B11R0.145 COC(=O)[C@H](N)COCC(=O)[O-] 34a_100000003586_100020667443 [0,1,0,0,0,1|2,0,0]=4 288 B11R0.145 COC(=O)[C@H](N)COCC(C)C 34a_100000003586_100000210624 [0,1,0,0,0,1|2,0,0]=4 289 B11R0.145 COC(=O)[C@H](N)COCC(C)O 34a_100000003586_100011218427 [0,1,0,0,0,1|1,0,1]=4 290 B11R0.145 COC(=O)[C@H](N)COC[C@@H](C)O 34a_100000003586_100009817552 [0,1,0,0,0,1|1,0,1]=4 291 B11R0.145 COC(=O)[C@H](N)COC[N+](=O)[O-] 34a_100000003586_100000761209 [0,1,0,0,0,1|2,0,0]=4 292 B11R0.150 CC(=O)C(C)NCC(C)C(=O)O 269956a_100000749485_100009814033 [0,1,0,0,0,1|2,0,0]=4 293 B11R0.150 CC(=O)C(C)NCC(F)C(=O)O 269956a_100000084737_100009814033 [0,1,0,0,0,1|2,0,0]=4 294 B11R0.273 C=C[C@H](NCCC(=O)C)C(=O)O 269956a_100016992060_100000053229 [0,1,0,0,0,1|2,0,0]=4 295 B11R0.273 CC(=O)CCNC(CO)C(=O)O 269956a_100000187304_100000053229 [0,1,0,0,0,1|2,0,0]=4 296 B11R0.273 CC[C@@H](NCCC(=O)C)C(=O)O 269956a_100000747097_100000053229 [0,1,0,0,0,1|2,0,0]=4 297 B11R0.318 C[C@H](NCCS(=O)(=O)C)C(=O)O 269956a_100000743915_100000731031 [0,1,0,0,0,1|1,0,1]=4 298 B11R0.120 CCC(=O)CCC(C)C(=O)OC 1458a_100000210414_100000034942 [0,2,0,0,0,0|2,0,0]=4 299 B11R0.120 COC(=O)C(C)CCC(=O)CO 1458a_100000210174_100000034942 [0,2,0,0,0,0|2,0,0]=4 300 B11R0.146 CCNC(CC[S+](C)C)C(=O)O 269956a_100000210779_100000210202 [0,2,0,0,0,0|1,0,1]=4 301 B11R0.146 CCN[C@@H](CCS(=O)C)C(=O)O 269956a_100015235763_100000210202 [0,2,0,0,0,0|0,0,0]=2 302 B11R0.146 CS(=O)CC[C@H](NCF)C(=O)O 269956a_100015235763_100015361967 [0,2,0,0,0,0|0,0,0]=2 303 B11R0.146 C[S+](C)CCC(NCF)C(=O)O 269956a_100000210779_100015361967 [0,2,0,0,0,0|1,0,1]=4 304 B11R0.313 CC(C)(C)CC[C@H](N[13CH3])C(=O)O 269956a_200014094532_200025704644 [0,2,0,0,0,0|2,0,0]=4 305 B11R0.313 CN[C@@H](CCC(C)(C)C)C(=O)O 269956a_200014094532_200000210301 [0,2,0,0,0,0|2,0,0]=4 306 B9R1.35 CC(=O)C1CCC(=O)N1 1458a_100000210400_200000210301 [1,0,0,1,0,0|2,0,0]=4 307 B9R1.35 [13CH3]C(=O)C1CCC(=O)N1 1458a_100000210400_200025704644 [1,0,0,1,0,0|2,0,0]=4 308 B9R1.95 CN[C@H]1C[C@H](C1)C(=O)O 269956a_100000738708_200000210301 [1,0,0,1,0,0|2,0,0]=4 309 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]=4 310 B9R1.53 CC(=O)CC1CC(=O)C1 1458a_100000070787_100009874392 [1,0,0,1,0,0|2,0,0]=4 311 B9R1.53 CN1CC(C1)CC(=O)O 269956a_100016993960_200000210301 [1,0,0,1,0,0|2,0,0]=4 312 B9R1.53 [13CH3]N1CC(C1)CC(=O)O 269956a_100016993960_200025704644 [1,0,0,1,0,0|2,0,0]=4 313 B11R1.153 C[C@H](NC1CC(=O)C1)C(=O)O 269956a_100000743915_100009894365 [0,0,0,1,0,1|2,0,0]=4 314 B11R1.166 CN1CC(CCC1C(=O)O)O 269956a_100000089875_200000210301 [0,1,0,1,0,0|1,0,1]=4 315 B11R1.166 [13CH3]N1CC(CCC1C(=O)O)O 269956a_100000089875_200025704644 [0,1,0,1,0,0|1,0,1]=4 316 B11R1.22 O=C(CO)N1CCS(=O)CC1 240690a_100000752083_100000210174 [0,1,0,1,0,0|2,0,0]=4 317 B11R1.22 O=C(CO)N1CCS(=O)CC1 527a_100000752083_100000210174 [0,1,0,1,0,0|2,0,0]=4 318 B11R1.90 CC(=O)CCC1CCOC1=O 1458a_100000117037_200000210301 [0,1,0,1,0,0|2,0,0]=4 319 B11R1.90 [13CH3]C(=O)CCC1CCOC1=O 1458a_100000117037_200025704644 [0,1,0,1,0,0|2,0,0]=4 320 B11R1.853 COC(=O)C1CC(C1)C(=O)C 1458a_100000070787_100009897219 [0,1,0,1,0,0|2,0,0]=4 321 B9R0.55 C=C(C)CCNCC(=O)O 269956a_100016091260_100000730704 [1,0,0,0,0,1|2,0,0]=4 322 B9R0.55 CC(=O)CCCCC(=O)C 1458a_100000070787_100000735457 [1,0,0,0,0,1|2,0,0]=4 323 B9R0.55 CC(=O)CCCNC(=O)C 1458a_100000194741_200000210301 [1,0,0,0,0,1|2,0,0]=4 324 B9R0.55 CC(=O)CCCOC(=O)C 1458a_100000070787_100000042594 [1,0,0,0,0,1|2,0,0]=4 325 B9R0.55 CC(=O)CCCSC(=O)C 1458a_100000070787_100000038929 [1,0,0,0,0,1|2,0,0]=4 326 B9R0.55 CC(=O)CCNCC(=O)O 269956a_100016091260_100000053229 [1,0,0,0,0,1|1,0,0]=3 327 B9R0.55 CC(=O)CCOCC(=O)N 1458a_100000070787_100000076697 [1,0,0,0,0,1|2,0,0]=4 328 B9R0.55 CC(=O)CCOCC(=O)N 34a_100000759926_100000187820 [1,0,0,0,0,1|2,0,0]=4 329 B9R0.55 CC(=O)CCOCC(=O)N 7a_100000759926_100000187820 [1,0,0,0,0,1|2,0,0]=4 330 B9R0.55 CC(=O)CCOCC(=O)[O-] 34a_100000759926_100020667443 [1,0,0,0,0,1|1,0,1]=4 331 B9R0.55 CC(=O)CCSCC(=O)N 1458a_100000148550_200000210301 [1,0,0,0,0,1|2,0,0]=4 332 B9R0.55 CC(=O)CCSCC(=O)N 62a_100000053229_100000747473 [1,0,0,0,0,1|2,0,0]=4 333 B9R0.55 CC(=O)CCSCC(=O)N 62a_100000747473_100000053229 [1,0,0,0,0,1|2,0,0]=4 334 B9R0.55 CC(=O)CCSCC(=O)[O-] 62a_100000053229_100020667443 [1,0,0,0,0,1|1,0,1]=4 335 B9R0.55 CC(=O)CCSCC(=O)[O-] 62a_100020667443_100000053229 [1,0,0,0,0,1|1,0,1]=4 336 B9R0.55 CC(=O)COCCC(=O)N 34a_100000211253_100000731001 [1,0,0,0,0,1|2,0,0]=4 337 B9R0.55 CC(=O)NCCCC(=O)N 240690a_100000739312_100015343762 [1,0,0,0,0,1|2,0,0]=4 338 B9R0.55 CC(=O)NCCCC(=O)N 527a_100000739312_100103153847 [1,0,0,0,0,1|2,0,0]=4 339 B9R0.55 CC(=O)NCCCC(=O)[13CH3] 1458a_100000194741_200025704644 [1,0,0,0,0,1|2,0,0]=4 340 B9R0.55 CC(=O)NCCCS(=O)C 11a_200000753449_100015343762 [1,0,0,0,0,1|1,0,0]=3 341 B9R0.55 CC(=O)NCCCS(=O)C 240690a_200000753449_100015343762 [1,0,0,0,0,1|1,0,0]=3 342 B9R0.55 CC(=O)NCCCS(=O)C 527a_200000753449_100103153847 [1,0,0,0,0,1|1,0,0]=3 343 B9R0.55 CC(=O)OCNCC(=O)O 269956a_100016091260_100000076356 [1,0,0,0,0,1|2,0,0]=4 344 B9R0.55 CC(C)CCNCC(=O)O 269956a_100016091260_100000210312 [1,0,0,0,0,1|2,0,0]=4 345 B9R0.55 CC(O)CCNCC(=O)O 269956a_100016091260_100012276601 [1,0,0,0,0,1|1,0,1]=4 346 B9R0.55 CN(C)CCNCC(=O)O 269956a_100016091260_100000755713 [1,0,0,0,0,1|2,0,0]=4 347 B9R0.55 NC(=O)CCNCC(=O)O 269956a_100016091260_100000744528 [1,0,0,0,0,1|2,0,0]=4 348 B9R0.55 [13CH3]C(=O)CCSCC(=O)N 1458a_100000148550_200025704644 [1,0,0,0,0,1|2,0,0]=4 349 B11R0.29 CC(=O)C(C)NCCCS(=O)C 2230a_200000753449_100009814033 [0,0,0,0,0,2|2,0,0]=4 350 B11R0.29 CC(=O)CCCN[C@@H](C)C(=O)O 269956a_100000743915_100011215641 [0,0,0,0,0,2|2,0,0]=4 351 B11R0.29 CC(=O)CCNCC(C)C(=O)O 269956a_100000749485_100000053229 [0,0,0,0,0,2|2,0,0]=4 352 B11R0.29 CC(=O)CCNCC(F)C(=O)O 269956a_100000084737_100000053229 [0,0,0,0,0,2|2,0,0]=4 353 B11R0.29 CC(=O)NCCN[C@@H](C)C(=O)O 269956a_100000743915_100000189650 [0,0,0,0,0,2|2,0,0]=4 354 B11R0.29 CC(=O)OCCN[C@@H](C)C(=O)O 269956a_100000743915_100009814007 [0,0,0,0,0,2|2,0,0]=4 355 B11R0.29 CC(=O)OCNCC(C)C(=O)O 269956a_100000749485_100000076356 [0,0,0,0,0,2|2,0,0]=4 356 B11R0.29 CC(=O)OCNCC(F)C(=O)O 269956a_100000084737_100000076356 [0,0,0,0,0,2|2,0,0]=4 357 B11R0.29 CC(=O)OCOC[C@H](N)C(=O)N 34a_100000729942_100009813279 [0,0,0,0,0,2|2,0,0]=4 358 B11R0.29 CC(NCCCS(=O)C)C(=O)N 2230a_200000753449_100000702099 [0,0,0,0,0,2|2,0,0]=4 359 B11R0.29 CS(=O)CCCNC(F)C(=O)N 2230a_200000753449_100009813875 [0,0,0,0,0,2|2,0,0]=4