0 B11R0.273 C=C(Br)CCOC(CC)C(=O)N 34a_100009813270_100000750255 [0,0,0,0,0,0|4,0,0]=4 1 B11R0.273 C=C(C)CCNC(CC)C(=O)N 2230a_100000733705_100000730704 [0,0,0,0,0,0|4,0,0]=4 2 B11R0.273 C=C(C)CCNC(CC)C(=O)N 34a_100000733705_100000730704 [0,0,0,0,0,0|4,0,0]=4 3 B11R0.273 C=C(C)CCNC(CO)C(=O)O 269956a_100000187304_100000730704 [0,0,0,0,0,0|4,0,0]=4 4 B11R0.273 C=C(C)CCN[C@H](CC)C(=O)O 269956a_100000747097_100000730704 [0,0,0,0,0,0|3,0,0]=3 5 B11R0.273 C=C(C)CCOC(CC)C(=O)N 34a_100000764851_100000750255 [0,0,0,0,0,0|4,0,0]=4 6 B11R0.273 C=C(C)CCSC(CC)C(=O)N 62a_100000730704_100000750255 [0,0,0,0,0,0|4,0,0]=4 7 B11R0.273 C=C(C)CCSC(CC)C(=O)N 62a_100000750255_100000730704 [0,0,0,0,0,0|4,0,0]=4 8 B11R0.273 C=C[C@H](NCCC(=O)C)C(=O)O 269956a_100016992060_100000053229 [0,0,0,0,0,0|2,0,2]=4 9 B11R0.273 C=C[C@H](NCCC(=O)N)C(=O)O 269956a_100016992060_100000744528 [0,0,0,0,0,0|2,0,2]=4 10 B11R0.273 CC(=O)CCNC(CO)C(=O)O 269956a_100000187304_100000053229 [0,0,0,0,0,0|3,0,0]=3 11 B11R0.273 CC(=O)OCNC(CO)C(=O)O 269956a_100000187304_100000076356 [0,0,0,0,0,0|4,0,0]=4 12 B11R0.273 CC(O)CCNC(CO)C(=O)O 269956a_100000187304_100012276601 [0,0,0,0,0,0|3,0,1]=4 13 B11R0.273 CCC(NCCC(=O)N)C(=O)N 2230a_100000733705_100000744528 [0,0,0,0,0,0|3,0,0]=3 14 B11R0.273 CCC(NCCC(=O)N)C(=O)N 34a_100000733705_100000731001 [0,0,0,0,0,0|3,0,0]=3 15 B11R0.273 CCC(NCCC(C)O)C(=O)N 2230a_100000733705_100012276601 [0,0,0,0,0,0|3,0,1]=4 16 B11R0.273 CCC(NCCC(C)O)C(=O)N 2230a_200000755665_100000750255 [0,0,0,0,0,0|3,0,1]=4 17 B11R0.273 CCC(NCCC(C)O)C(=O)N 34a_100000733705_100012276601 [0,0,0,0,0,0|3,0,1]=4 18 B11R0.273 CCC(NCOC(=O)C)C(=O)N 34a_100000733705_100009813279 [0,0,0,0,0,0|4,0,0]=4 19 B11R0.273 CCC(NOCC(=O)O)C(=O)N 269956a_100000106656_200011216081 [0,0,0,0,0,0|3,0,0]=3 20 B11R0.273 CCC(OCCC(=O)C)C(=O)N 34a_100000759926_100000750255 [0,0,0,0,0,0|3,0,0]=3 21 B11R0.273 CCC(OCCC(=O)C)C(=O)N 7a_100000759926_100000750255 [0,0,0,0,0,0|3,0,0]=3 22 B11R0.273 CCC(OCCC(=O)N)C(=O)N 34a_100000757172_100000750255 [0,0,0,0,0,0|3,0,0]=3 23 B11R0.273 CCC(OCCC(=O)N)C(=O)N 7a_100000757172_100000750255 [0,0,0,0,0,0|3,0,0]=3 24 B11R0.273 CCC(SCCC(=O)C)C(=O)N 62a_100000053229_100000750255 [0,0,0,0,0,0|3,0,0]=3 25 B11R0.273 CCC(SCCC(=O)C)C(=O)N 62a_100000750255_100000053229 [0,0,0,0,0,0|3,0,0]=3 26 B11R0.273 CCC(SCCC(=O)N)C(=O)N 62a_100000744528_100000750255 [0,0,0,0,0,0|3,0,0]=3 27 B11R0.273 CCC(SCCC(=O)N)C(=O)N 62a_100000750255_100000744528 [0,0,0,0,0,0|3,0,0]=3 28 B11R0.273 CCC(SCCC(C)O)C(=O)N 62a_100000750255_100012276601 [0,0,0,0,0,0|3,0,1]=4 29 B11R0.273 CCC(SCCC(C)O)C(=O)N 62a_100012276601_100000750255 [0,0,0,0,0,0|3,0,1]=4 30 B11R0.273 CCC(SCOC(=O)C)C(=O)N 62a_100000076356_100000750255 [0,0,0,0,0,0|4,0,0]=4 31 B11R0.273 CCC(SCOC(=O)C)C(=O)N 62a_100000750255_100000076356 [0,0,0,0,0,0|4,0,0]=4 32 B11R0.273 CC[C@@H](NCC=C(C)C)C(=O)O 269956a_100000747097_100000761012 [0,0,0,0,0,0|3,0,1]=4 33 B11R0.273 CC[C@@H](NCCC(=O)C)C(=O)O 269956a_100000747097_100000053229 [0,0,0,0,0,0|2,0,0]=2 34 B11R0.273 CC[C@@H](NCCC(=O)N)C(=O)O 269956a_100000747097_100000744528 [0,0,0,0,0,0|2,0,0]=2 35 B11R0.273 CC[C@@H](NCCC(C)C)C(=O)O 269956a_100000747097_100000210312 [0,0,0,0,0,0|3,0,1]=4 36 B11R0.273 CC[C@@H](NCCC(C)O)C(=O)O 269956a_100000747097_100012276601 [0,0,0,0,0,0|2,0,1]=3 37 B11R0.273 CC[C@@H](NCCN(C)C)C(=O)O 269956a_100000747097_100000755713 [0,0,0,0,0,0|4,0,0]=4 38 B11R0.273 CC[C@@H](NCOC(=O)C)C(=O)O 269956a_100000747097_100000076356 [0,0,0,0,0,0|3,0,0]=3 39 B11R0.273 CC[C@H](NCCC(=O)N)[C@@H](C)O 2230a_100161114882_100000744528 [0,0,0,0,0,0|3,0,1]=4 40 B11R0.273 CC[C@H](NCCC(=O)N)[C@@H](C)O 34a_100161114882_100000731001 [0,0,0,0,0,0|3,0,1]=4 41 B11R0.273 NC(=O)CCNC(CO)C(=O)O 269956a_100000187304_100000744528 [0,0,0,0,0,0|3,0,0]=3 42 B11R0.273 NC(=O)CCN[C@@H](CO)C(=O)N 2230a_100000729942_100000744528 [0,0,0,0,0,0|4,0,0]=4 43 B11R0.273 NC(=O)CCN[C@@H](CO)C(=O)N 34a_100000729942_100000731001 [0,0,0,0,0,0|4,0,0]=4 44 B10R0.77 C=CC(CC)OCCC(=O)C 7a_100000766422_100000053229 [1,0,0,0,0,0|3,0,0]=4 45 B10R0.77 C=CC(CC)OCCC(=O)N 34a_100000766422_100000731001 [1,0,0,0,0,0|3,0,0]=4 46 B10R0.77 C=CC(CC)OCCC(=O)N 7a_100000766422_100000744528 [1,0,0,0,0,0|3,0,0]=4 47 B10R0.77 CCC(CC)CNCC(=O)O 269956a_100016091260_100011215472 [1,0,0,0,0,0|2,0,1]=4 48 B10R0.77 CC[C@@H](CO)NCCC(=O)N 2230a_100000709445_100000744528 [1,0,0,0,0,0|2,0,1]=4 49 B10R0.86 C#CCCN[C@H](CC)C(=O)O 269956a_100000747097_100000688953 [1,0,0,0,0,0|2,0,1]=4 50 B10R0.86 C/C=C/CN[C@H](CC)C(=O)O 269956a_100000747097_100102629194 [1,0,0,0,0,0|2,0,1]=4 51 B10R0.86 C=CCCNC(CC)C(=O)N 2230a_100000733705_100000754431 [1,0,0,0,0,0|3,0,0]=4 52 B10R0.86 C=CCCNC(CC)C(=O)N 2230a_100015191253_100000750255 [1,0,0,0,0,0|3,0,0]=4 53 B10R0.86 C=CCCNC(CC)C(=O)N 34a_100000733705_100000754431 [1,0,0,0,0,0|3,0,0]=4 54 B10R0.86 C=CCCNC(CO)C(=O)O 269956a_100000187304_100000754431 [1,0,0,0,0,0|3,0,0]=4 55 B10R0.86 C=CCCN[C@H](CC)C(=O)O 269956a_100000747097_100000754431 [1,0,0,0,0,0|2,0,0]=3 56 B10R0.86 C=CCCOC(CC)C(=O)N 34a_100011205117_100000750255 [1,0,0,0,0,0|3,0,0]=4 57 B10R0.86 C=CCCSC(CC)C(=O)N 62a_100000750255_100000754431 [1,0,0,0,0,0|3,0,0]=4 58 B10R0.86 C=CCCSC(CC)C(=O)N 62a_100000754431_100000750255 [1,0,0,0,0,0|3,0,0]=4 59 B10R0.86 CCC(NCCCO)C(=O)N 2230a_100000733705_100000230001 [1,0,0,0,0,0|2,0,1]=4 60 B10R0.86 CCC(NCCCO)C(=O)N 34a_100000733705_100000230001 [1,0,0,0,0,0|2,0,1]=4 61 B10R0.86 CCC(SCCCO)C(=O)N 62a_100000750255_100011215043 [1,0,0,0,0,0|2,0,1]=4 62 B10R0.86 CCC(SCCCO)C(=O)N 62a_100011215043_100000750255 [1,0,0,0,0,0|2,0,1]=4 63 B10R0.86 CCCCCC(CC)C(=O)C 1458a_100000697129_200000210301 [1,0,0,0,0,0|2,0,1]=4 64 B10R0.86 CCCCCC(CC)C(=O)[13CH3] 1458a_100000697129_200025704644 [1,0,0,0,0,0|2,0,1]=4 65 B10R0.86 CCCCN[C@H](CC)C(=O)O 269956a_100000747097_100000210211 [1,0,0,0,0,0|2,0,1]=4 66 B10R0.86 CCN(CCCCO)C(=O)C 240690a_100011217355_100015343762 [1,0,0,0,0,0|2,0,1]=4 67 B10R0.86 CC[C@@H](NCCC#N)C(=O)O 269956a_100000747097_100011215226 [1,0,0,0,0,0|2,0,1]=4 68 B10R0.86 CC[C@@H](NCCCF)C(=O)O 269956a_100000747097_100011934791 [1,0,0,0,0,0|2,0,1]=4 69 B10R0.86 CC[C@@H](NCCCO)C(=O)O 269956a_100000747097_100011215043 [1,0,0,0,0,0|1,0,1]=3 70 B10R0.86 CC[C@@H](NCCOC)C(=O)O 269956a_100000747097_100000233755 [1,0,0,0,0,0|3,0,0]=4 71 B10R0.86 CC[C@@H](NCCSC)C(=O)O 269956a_100000747097_100000212216 [1,0,0,0,0,0|3,0,0]=4 72 B10R0.86 O=C(O)C(CO)NCCCO 269956a_100000187304_100011215043 [1,0,0,0,0,0|2,0,1]=4 73 B10R0.98 C=C(C)CCN[C@@H](C)C(=O)O 269956a_100000743915_100000730704 [1,0,0,0,0,0|3,0,0]=4 74 B10R0.98 C=C(C)CNCC(C)C(=O)O 269956a_100000749485_100000748629 [1,0,0,0,0,0|3,0,0]=4 75 B10R0.98 C=C(F)CNCC(C)C(=O)O 269956a_100000749485_100000042424 [1,0,0,0,0,0|3,0,0]=4 76 B10R0.98 CC(=O)C(C)COCC(=O)N 34a_100000032740_100000187820 [1,0,0,0,0,0|3,0,0]=4 77 B10R0.98 CC(=O)C(C)COCC(=O)N 7a_100000032740_100000187820 [1,0,0,0,0,0|3,0,0]=4 78 B10R0.98 CC(=O)C(C)COCC(=O)[O-] 34a_100000032740_100020667443 [1,0,0,0,0,0|2,0,1]=4 79 B10R0.98 CC(=O)C(C)NOCC(=O)O 269956a_100000106656_100009814033 [1,0,0,0,0,0|3,0,0]=4 80 B10R0.98 CC(=O)C(C)OCCC(=O)N 34a_100000212229_100000731001 [1,0,0,0,0,0|3,0,0]=4 81 B10R0.98 CC(=O)C(C)OCCC(=O)N 7a_100000757172_100000179758 [1,0,0,0,0,0|3,0,0]=4 82 B10R0.98 CC(=O)C(C)SCCC(=O)N 62a_100000744528_100009814033 [1,0,0,0,0,0|3,0,0]=4 83 B10R0.98 CC(=O)C(C)SCCC(=O)N 62a_100009814033_100000744528 [1,0,0,0,0,0|3,0,0]=4 84 B10R0.98 CC(=O)CCN[C@@H](C)C(=O)O 269956a_100000743915_100000053229 [1,0,0,0,0,0|2,0,0]=3 85 B10R0.98 CC(=O)CCOC(C)C(=O)C 7a_100000759926_100000179758 [1,0,0,0,0,0|3,0,0]=4 86 B10R0.98 CC(=O)CCOC(C)C(=O)N 34a_100000759926_100000702099 [1,0,0,0,0,0|3,0,0]=4 87 B10R0.98 CC(=O)CCOC(C)C(=O)N 7a_100000759926_100000702099 [1,0,0,0,0,0|3,0,0]=4 88 B10R0.98 CC(=O)CCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000053229 [1,0,0,0,0,0|2,0,1]=4 89 B10R0.98 CC(=O)CCO[C@H](C)C(=O)N 7a_100000731257_100000053229 [1,0,0,0,0,0|3,0,0]=4 90 B10R0.98 CC(=O)CCSC(C)C(=O)C 62a_100000053229_100009814033 [1,0,0,0,0,0|3,0,0]=4 91 B10R0.98 CC(=O)CCSC(C)C(=O)C 62a_100009814033_100000053229 [1,0,0,0,0,0|3,0,0]=4 92 B10R0.98 CC(=O)CCSC(C)C(=O)N 62a_100000053229_100000702099 [1,0,0,0,0,0|3,0,0]=4 93 B10R0.98 CC(=O)CCSC(C)C(=O)N 62a_100000702099_100000053229 [1,0,0,0,0,0|3,0,0]=4 94 B10R0.98 CC(=O)OCN[C@@H](C)C(=O)O 269956a_100000743915_100000076356 [1,0,0,0,0,0|3,0,0]=4 95 B10R0.98 CC(CNCC(=O)N)C(=O)O 269956a_100000749485_100000187820 [1,0,0,0,0,0|2,0,0]=3 96 B10R0.98 CC(CNCC(=O)[O-])C(=O)O 269956a_100000749485_100020667443 [1,0,0,0,0,0|1,0,1]=3 97 B10R0.98 CC(CNC[C@@H](C)O)C(=O)O 269956a_100000749485_100009817552 [1,0,0,0,0,0|2,0,1]=4 98 B10R0.98 CC(CNC[N+](=O)[O-])C(=O)O 269956a_100000749485_100000761209 [1,0,0,0,0,0|2,0,1]=4 99 B10R0.98 CC(O)CCN[C@@H](C)C(=O)O 269956a_100000743915_100012276601 [1,0,0,0,0,0|2,0,1]=4 100 B10R0.98 CC(O)CNCC(C)C(=O)O 269956a_100000749485_100011218427 [1,0,0,0,0,0|2,0,1]=4 101 B10R0.98 CC(OCCC(=O)N)C(=O)N 34a_100000757172_100000702099 [1,0,0,0,0,0|3,0,0]=4 102 B10R0.98 CC(OCCC(=O)N)C(=O)N 7a_100000757172_100000702099 [1,0,0,0,0,0|3,0,0]=4 103 B10R0.98 CC(SCCC(=O)N)C(=O)N 62a_100000702099_100000744528 [1,0,0,0,0,0|3,0,0]=4 104 B10R0.98 CC(SCCC(=O)N)C(=O)N 62a_100000744528_100000702099 [1,0,0,0,0,0|3,0,0]=4 105 B10R0.98 C[C@@H](NCCC(=O)N)C(=O)N 2230a_100000119354_100000744528 [1,0,0,0,0,0|3,0,0]=4 106 B10R0.98 C[C@@H](NCCC(=O)N)C(=O)N 34a_100000119354_100000731001 [1,0,0,0,0,0|3,0,0]=4 107 B10R0.98 C[C@@H](OCCC(=O)N)C(=O)N 34a_100000731257_100000731001 [1,0,0,0,0,0|3,0,0]=4 108 B10R0.98 C[C@@H](OCCC(=O)N)C(=O)N 7a_100000731257_100000744528 [1,0,0,0,0,0|3,0,0]=4 109 B10R0.98 C[C@H](NCCC(=O)N)C(=O)O 269956a_100000743915_100000744528 [1,0,0,0,0,0|2,0,0]=3 110 B10R0.98 C[C@H](OCCC(=O)N)C(=O)[O-] 7a_217856618621_100000744528 [1,0,0,0,0,0|2,0,1]=4 111 B10R0.98 NC(=O)CNCC(F)C(=O)O 269956a_100000084737_100000187820 [1,0,0,0,0,0|3,0,0]=4 112 B10R0.98 O=C([O-])CNCC(F)C(=O)O 269956a_100000084737_100020667443 [1,0,0,0,0,0|2,0,1]=4 113 B12R0.136 C=C(C)CCNC(C(=O)O)C(C)O 269956a_100000185852_100000730704 [0,1,0,0,0,0|3,0,0]=4 114 B12R0.136 C=C(C)CCN[C@@H](C(=O)O)C(C)C 269956a_100000745019_100000730704 [0,1,0,0,0,0|3,0,0]=4 115 B12R0.136 CC(=O)CCNC(C(=O)O)C(C)O 269956a_100000185852_100000053229 [0,1,0,0,0,0|2,0,0]=3 116 B12R0.136 CC(=O)CCN[C@@H](C(=O)O)C(C)C 269956a_100000745019_100000053229 [0,1,0,0,0,0|2,0,0]=3 117 B12R0.136 CC(=O)CCOC(C(=O)N)C(C)C 34a_100000759926_100000230017 [0,1,0,0,0,0|3,0,0]=4 118 B12R0.136 CC(=O)CCOC(C(=O)N)C(C)C 7a_100000759926_100000230017 [0,1,0,0,0,0|3,0,0]=4 119 B12R0.136 CC(=O)CCSC(C(=O)N)C(C)C 62a_100000053229_100000230017 [0,1,0,0,0,0|3,0,0]=4 120 B12R0.136 CC(=O)CCSC(C(=O)N)C(C)C 62a_100000230017_100000053229 [0,1,0,0,0,0|3,0,0]=4 121 B12R0.136 CC(=O)OCNC(C(=O)O)C(C)O 269956a_100000185852_100000076356 [0,1,0,0,0,0|3,0,0]=4 122 B12R0.136 CC(=O)OCN[C@@H](C(=O)O)C(C)C 269956a_100000745019_100000076356 [0,1,0,0,0,0|3,0,0]=4 123 B12R0.136 CC(C)C(OCCC(=O)N)C(=O)N 34a_100000757172_100000230017 [0,1,0,0,0,0|3,0,0]=4 124 B12R0.136 CC(C)C(OCCC(=O)N)C(=O)N 7a_100000757172_100000230017 [0,1,0,0,0,0|3,0,0]=4 125 B12R0.136 CC(C)C(SCCC(=O)N)C(=O)N 62a_100000230017_100000744528 [0,1,0,0,0,0|3,0,0]=4 126 B12R0.136 CC(C)C(SCCC(=O)N)C(=O)N 62a_100000744528_100000230017 [0,1,0,0,0,0|3,0,0]=4 127 B12R0.136 CC(C)[C@@H](NCCC(=O)N)C(=O)O 269956a_100000745019_100000744528 [0,1,0,0,0,0|2,0,0]=3 128 B12R0.136 CC(O)C(NCCC(=O)N)C(=O)O 269956a_100000185852_100000744528 [0,1,0,0,0,0|2,0,0]=3 129 B12R0.136 CC(O)CCNC(C(=O)O)C(C)O 269956a_100000185852_100012276601 [0,1,0,0,0,0|2,0,1]=4 130 B12R0.136 CC(O)CCN[C@@H](C(=O)O)C(C)C 269956a_100000745019_100012276601 [0,1,0,0,0,0|2,0,1]=4 131 B12R0.136 C[C@@H](O)[C@H](NCCC(=O)N)C(=O)N 2230a_100000003557_100000744528 [0,1,0,0,0,0|3,0,0]=4 132 B12R0.188 C=C(Br)CCOC(CC)C(=O)OC 34a_100009813270_100000235869 [0,1,0,0,0,0|3,0,0]=4 133 B12R0.188 C=C(C)CCOC(CC)C(=O)OC 34a_100000695916_100000730704 [0,1,0,0,0,0|3,0,0]=4 134 B12R0.188 C=C(C)CCOC(CC)C(=O)OC 34a_100000764851_100000235869 [0,1,0,0,0,0|3,0,0]=4 135 B12R0.188 C=C(C)CCOC(CC)C(=O)OC 7a_100000695916_100000730704 [0,1,0,0,0,0|3,0,0]=4 136 B12R0.188 C=C(C)CCSC(CC)C(=O)OC 62a_100000235869_100000730704 [0,1,0,0,0,0|3,0,0]=4 137 B12R0.188 C=C(C)CCSC(CC)C(=O)OC 62a_100000730704_100000235869 [0,1,0,0,0,0|3,0,0]=4 138 B12R0.188 CCC(=O)C(CC)OCCC(=O)C 7a_200011218131_100000053229 [0,1,0,0,0,0|3,0,0]=4 139 B12R0.188 CCC(=O)C(CC)OCCC(=O)N 34a_200011218131_100000731001 [0,1,0,0,0,0|3,0,0]=4 140 B12R0.188 CCC(=O)C(CC)OCCC(=O)N 7a_200011218131_100000744528 [0,1,0,0,0,0|3,0,0]=4 141 B12R0.188 CCC(NCCC(C)O)C(=O)OC 2230a_200000755665_100000235869 [0,1,0,0,0,0|2,0,1]=4 142 B12R0.188 CCC(OCCC(=O)C)C(=O)OC 34a_100000759926_100000235869 [0,1,0,0,0,0|2,0,0]=3 143 B12R0.188 CCC(OCCC(=O)C)C(=O)OC 7a_100000695916_100000053229 [0,1,0,0,0,0|2,0,0]=3 144 B12R0.188 CCC(OCCC(=O)C)C(=O)OC 7a_100000759926_100000742303 [0,1,0,0,0,0|2,0,0]=3 145 B12R0.188 CCC(OCCC(=O)N)C(=O)OC 34a_100000695916_100000731001 [0,1,0,0,0,0|2,0,0]=3 146 B12R0.188 CCC(OCCC(=O)N)C(=O)OC 34a_100000757172_100000235869 [0,1,0,0,0,0|2,0,0]=3 147 B12R0.188 CCC(OCCC(=O)N)C(=O)OC 7a_100000695916_100000744528 [0,1,0,0,0,0|2,0,0]=3 148 B12R0.188 CCC(OCCC(=O)N)C(=O)OC 7a_100000757172_100000742303 [0,1,0,0,0,0|2,0,0]=3 149 B12R0.188 CCC(OCCC(C)O)C(=O)OC 34a_100000695916_100012276601 [0,1,0,0,0,0|2,0,1]=4 150 B12R0.188 CCC(OCCC(C)O)C(=O)OC 7a_100000695916_100012276601 [0,1,0,0,0,0|2,0,1]=4 151 B12R0.188 CCC(OCOC(=O)C)C(=O)OC 34a_100000695916_100009813279 [0,1,0,0,0,0|3,0,0]=4 152 B12R0.188 CCC(SCCC(=O)C)C(=O)OC 62a_100000053229_100000235869 [0,1,0,0,0,0|2,0,0]=3 153 B12R0.188 CCC(SCCC(=O)C)C(=O)OC 62a_100000235869_100000053229 [0,1,0,0,0,0|2,0,0]=3 154 B12R0.188 CCC(SCCC(=O)N)C(=O)OC 62a_100000235869_100000744528 [0,1,0,0,0,0|2,0,0]=3 155 B12R0.188 CCC(SCCC(=O)N)C(=O)OC 62a_100000744528_100000235869 [0,1,0,0,0,0|2,0,0]=3 156 B12R0.188 CCC(SCCC(C)O)C(=O)OC 62a_100000235869_100012276601 [0,1,0,0,0,0|2,0,1]=4 157 B12R0.188 CCC(SCCC(C)O)C(=O)OC 62a_100012276601_100000235869 [0,1,0,0,0,0|2,0,1]=4 158 B12R0.188 CCC(SCOC(=O)C)C(=O)OC 62a_100000076356_100000235869 [0,1,0,0,0,0|3,0,0]=4 159 B12R0.188 CCC(SCOC(=O)C)C(=O)OC 62a_100000235869_100000076356 [0,1,0,0,0,0|3,0,0]=4 160 B12R0.188 CC[C@H](NCCC(=O)N)C(=O)NC 2230a_106657271573_100000744528 [0,1,0,0,0,0|3,0,0]=4 161 B12R0.188 CC[C@H](NCCC(=O)N)C(=O)NC 34a_106657271573_100000731001 [0,1,0,0,0,0|3,0,0]=4 162 B12R0.188 COC(=O)C(CN)OCCC(=O)N 34a_100000695228_100000731001 [0,1,0,0,0,0|3,0,0]=4 163 B12R0.188 COC(=O)C(CO)OCCC(=O)C 34a_100000759926_100012276630 [0,1,0,0,0,0|3,0,0]=4 164 B12R0.188 COC(=O)C(CO)OCCC(=O)N 34a_100000757172_100012276630 [0,1,0,0,0,0|3,0,0]=4 165 B12R0.188 COC(=O)C(CO)SCCC(=O)C 62a_100000053229_100012276630 [0,1,0,0,0,0|3,0,0]=4 166 B12R0.188 COC(=O)C(CO)SCCC(=O)C 62a_100012276630_100000053229 [0,1,0,0,0,0|3,0,0]=4 167 B12R0.188 COC(=O)C(CO)SCCC(=O)N 62a_100000744528_100012276630 [0,1,0,0,0,0|3,0,0]=4 168 B12R0.188 COC(=O)C(CO)SCCC(=O)N 62a_100012276630_100000744528 [0,1,0,0,0,0|3,0,0]=4 169 B12R0.188 COC(=O)C(OC)OCCC(=O)C 34a_100000759926_100000101307 [0,1,0,0,0,0|3,0,0]=4 170 B12R0.188 COC(=O)C(OC)OCCC(=O)N 34a_100000036821_100000731001 [0,1,0,0,0,0|3,0,0]=4 171 B12R0.188 COC(=O)C(OC)OCCC(=O)N 34a_100000757172_100000101307 [0,1,0,0,0,0|3,0,0]=4 172 B12R0.188 COC(=O)C(OC)SCCC(=O)C 62a_100000053229_100000101307 [0,1,0,0,0,0|3,0,0]=4 173 B12R0.188 COC(=O)C(OC)SCCC(=O)C 62a_100000101307_100000053229 [0,1,0,0,0,0|3,0,0]=4 174 B12R0.188 COC(=O)C(OC)SCCC(=O)N 62a_100000101307_100000744528 [0,1,0,0,0,0|3,0,0]=4 175 B12R0.188 COC(=O)C(OC)SCCC(=O)N 62a_100000744528_100000101307 [0,1,0,0,0,0|3,0,0]=4 176 B12R0.321 C=C[C@H](NCCC(=O)OC)C(=O)O 269956a_100016992060_100000204255 [0,1,0,0,0,0|1,0,2]=4 177 B12R0.321 CCC(NCCC(=O)NC)C(=O)N 2230a_100000733705_100000737683 [0,1,0,0,0,0|3,0,0]=4 178 B12R0.321 CCC(NCCC(=O)NC)C(=O)N 2230a_100000738227_100000750255 [0,1,0,0,0,0|3,0,0]=4 179 B12R0.321 CCC(NCCC(=O)NC)C(=O)N 34a_100000733705_100012179268 [0,1,0,0,0,0|3,0,0]=4 180 B12R0.321 CCC(NCCC(=O)NC)C(=O)N 34a_100000738227_100000750255 [0,1,0,0,0,0|3,0,0]=4 181 B12R0.321 CCC(NCCC(=O)OC)C(=O)N 2230a_100000733705_100000204255 [0,1,0,0,0,0|2,0,0]=3 182 B12R0.321 CCC(NCCC(=O)OC)C(=O)N 34a_100000733705_100000742370 [0,1,0,0,0,0|2,0,0]=3 183 B12R0.321 CCC(OCCC(=NO)N)C(=O)N 34a_100000749954_100000750255 [0,1,0,0,0,0|3,0,0]=4 184 B12R0.321 CCC(OCCC(=O)NC)C(=O)N 34a_100000754576_100000750255 [0,1,0,0,0,0|3,0,0]=4 185 B12R0.321 CCC(SCCC(=O)NC)C(=O)N 62a_100000737683_100000750255 [0,1,0,0,0,0|3,0,0]=4 186 B12R0.321 CCC(SCCC(=O)NC)C(=O)N 62a_100000750255_100000737683 [0,1,0,0,0,0|3,0,0]=4 187 B12R0.321 CCC(SCCC(=O)OC)C(=O)N 62a_100000204255_100000750255 [0,1,0,0,0,0|2,0,0]=3 188 B12R0.321 CCC(SCCC(=O)OC)C(=O)N 62a_100000750255_100000204255 [0,1,0,0,0,0|2,0,0]=3 189 B12R0.321 CCC(SCOC(=O)OC)C(=O)N 62a_100000750255_100000139417 [0,1,0,0,0,0|3,0,0]=4 190 B12R0.321 CC[C@@H](NCCC(=O)NC)C(=O)O 269956a_100000747097_100000737683 [0,1,0,0,0,0|2,0,0]=3 191 B12R0.321 CC[C@@H](NCCC(=O)OC)C(=O)O 269956a_100000747097_100000204255 [0,1,0,0,0,0|1,0,0]=2 192 B12R0.321 CC[C@H](NCCC(=O)OC)[C@@H](C)O 2230a_100161114882_100000204255 [0,1,0,0,0,0|2,0,1]=4 193 B12R0.321 CC[C@H](NCCC(=O)OC)[C@@H](C)O 34a_100161114882_100000742370 [0,1,0,0,0,0|2,0,1]=4 194 B12R0.321 CNC(=O)CCNC(CO)C(=O)O 269956a_100000187304_100000737683 [0,1,0,0,0,0|3,0,0]=4 195 B12R0.321 COC(=O)CCNC(CO)C(=O)O 269956a_100000187304_100000204255 [0,1,0,0,0,0|2,0,0]=3 196 B12R0.321 COC(=O)CCN[C@@H](CO)C(=O)N 2230a_100000729942_100000204255 [0,1,0,0,0,0|3,0,0]=4 197 B12R0.321 COC(=O)CCN[C@@H](CO)C(=O)N 34a_100000729942_100000742370 [0,1,0,0,0,0|3,0,0]=4 198 B12R0.397 C=C(C)CCN[C@@H](CCC)C(=O)O 269956a_100000750406_100000730704 [0,1,0,0,0,0|3,0,0]=4 199 B12R0.397 C=C(C)CCN[C@@H](CSC)C(=O)O 269956a_100011421858_100000730704 [0,1,0,0,0,0|3,0,0]=4 200 B12R0.397 C=C(C)CCN[C@@H](C[Se]C)C(=O)O 269956a_100015254316_100000730704 [0,1,0,0,0,0|3,0,0]=4 201 B12R0.397 C=C(C)CCN[C@H](COC)C(=O)O 269956a_100011998655_100000730704 [0,1,0,0,0,0|3,0,0]=4 202 B12R0.397 CCCC(OCCC(=O)C)C(=O)N 7a_100011626294_100000053229 [0,1,0,0,0,0|3,0,0]=4 203 B12R0.397 CCCC(OCCC(=O)N)C(=O)N 34a_100011626294_100000731001 [0,1,0,0,0,0|3,0,0]=4 204 B12R0.397 CCCC(OCCC(=O)N)C(=O)N 7a_100011626294_100000744528 [0,1,0,0,0,0|3,0,0]=4 205 B12R0.397 CCC[C@H](NCCC(=O)C)C(=O)O 269956a_100000750406_100000053229 [0,1,0,0,0,0|2,0,0]=3 206 B12R0.397 CCC[C@H](NCCC(=O)N)C(=O)N 2230a_100000729256_100000744528 [0,1,0,0,0,0|3,0,0]=4 207 B12R0.397 CCC[C@H](NCCC(=O)N)C(=O)N 34a_100000729256_100000731001 [0,1,0,0,0,0|3,0,0]=4 208 B12R0.397 CCC[C@H](NCCC(=O)N)C(=O)O 269956a_100000750406_100000744528 [0,1,0,0,0,0|2,0,0]=3 209 B12R0.397 CCC[C@H](NCCC(C)O)C(=O)O 269956a_100000750406_100012276601 [0,1,0,0,0,0|2,0,1]=4 210 B12R0.397 CCC[C@H](NCOC(=O)C)C(=O)O 269956a_100000750406_100000076356 [0,1,0,0,0,0|3,0,0]=4 211 B12R0.397 COC[C@@H](NCCC(=O)C)C(=O)O 269956a_100011998655_100000053229 [0,1,0,0,0,0|2,0,0]=3 212 B12R0.397 COC[C@@H](NCCC(=O)N)C(=O)O 269956a_100011998655_100000744528 [0,1,0,0,0,0|2,0,0]=3 213 B12R0.397 COC[C@@H](NCCC(C)O)C(=O)O 269956a_100011998655_100012276601 [0,1,0,0,0,0|2,0,1]=4 214 B12R0.397 COC[C@@H](NCOC(=O)C)C(=O)O 269956a_100011998655_100000076356 [0,1,0,0,0,0|3,0,0]=4 215 B12R0.397 CSC[C@H](NCCC(=O)C)C(=O)O 269956a_100011421858_100000053229 [0,1,0,0,0,0|2,0,0]=3 216 B12R0.397 CSC[C@H](NCCC(=O)N)C(=O)O 269956a_100011421858_100000744528 [0,1,0,0,0,0|2,0,0]=3 217 B12R0.397 CSC[C@H](NCCC(C)O)C(=O)O 269956a_100011421858_100012276601 [0,1,0,0,0,0|2,0,1]=4 218 B12R0.397 CSC[C@H](NCOC(=O)C)C(=O)O 269956a_100011421858_100000076356 [0,1,0,0,0,0|3,0,0]=4 219 B12R0.397 C[Se]C[C@H](NCCC(=O)C)C(=O)O 269956a_100015254316_100000053229 [0,1,0,0,0,0|2,0,0]=3 220 B12R0.397 C[Se]C[C@H](NCCC(=O)N)C(=O)O 269956a_100015254316_100000744528 [0,1,0,0,0,0|2,0,0]=3 221 B12R0.397 C[Se]C[C@H](NCCC(C)O)C(=O)O 269956a_100015254316_100012276601 [0,1,0,0,0,0|2,0,1]=4 222 B12R0.397 C[Se]C[C@H](NCOC(=O)C)C(=O)O 269956a_100015254316_100000076356 [0,1,0,0,0,0|3,0,0]=4 223 B12R0.543 CC[C@@H](NC(C)OC(=O)C)C(=O)O 269956a_100000747097_100009818208 [0,1,0,0,0,0|3,0,0]=4 224 B12R0.583 CC(=O)CCN(C)[C@@H](CO)C(=O)O 269956a_100015362447_100000053229 [0,1,0,0,0,0|3,0,0]=4 225 B12R0.583 CCC(C(=O)N)C(=O)CCC(=O)N 1458a_100011215257_100000750255 [0,1,0,0,0,0|2,0,1]=4 226 B12R0.583 CCC(C(=O)N)N(C)CCC(=O)N 2230a_100000730477_100000750255 [0,1,0,0,0,0|3,0,0]=4 227 B12R0.583 CC[C@@H](C(=O)N)N(C)CCC(=O)C 269982a_103436537554_100000053229 [0,1,0,0,0,0|3,0,0]=4 228 B12R0.583 CC[C@@H](C(=O)N)N(C)CCC(=O)N 2230a_103436537554_100000744528 [0,1,0,0,0,0|3,0,0]=4 229 B12R0.583 CC[C@@H](C(=O)N)N(C)CCC(=O)N 269982a_103436537554_100000744528 [0,1,0,0,0,0|3,0,0]=4 230 B12R0.583 CN(CCC(=O)N)[C@@H](CO)C(=O)O 269956a_100015362447_100000744528 [0,1,0,0,0,0|3,0,0]=4 231 B12R0.586 CC[C@@H](NCCC(C)(C)O)C(=O)O 269956a_100000747097_100000702414 [0,1,0,0,0,0|2,0,1]=4 232 B12R0.586 CC[C@@H](NCCS(=O)(=O)C)C(=O)O 269956a_100000747097_100000731031 [0,1,0,0,0,0|2,0,1]=4 233 B12R0.586 CC[C@@H](NCCS(=O)(=O)[O-])C(=O)O 269956a_100000747097_100000762736 [0,1,0,0,0,0|2,0,1]=4 234 B12R0.668 CCC(NCC(C)C(=O)O)C(=O)N 269956a_100000749485_200011216081 [0,1,0,0,0,0|2,0,0]=3 235 B12R0.668 CCC(NCC(F)C(=O)O)C(=O)N 269956a_100000084737_200011216081 [0,1,0,0,0,0|2,0,0]=3 236 B12R0.668 CCC(OCC(C)C(=O)C)C(=O)N 34a_100000032740_100000750255 [0,1,0,0,0,0|3,0,0]=4 237 B12R0.668 CCC(OCC(C)C(=O)C)C(=O)N 7a_100000032740_100000750255 [0,1,0,0,0,0|3,0,0]=4 238 B12R0.668 CCC(OC[C@H](N)C(=O)N)C(=O)N 34a_100000729942_100000750255 [0,1,0,0,0,0|3,0,0]=4 239 B12R0.668 CC[C@@H](NCC(=O)C(=O)C)C(=O)O 269956a_100000747097_100011261029 [0,1,0,0,0,0|2,0,1]=4 240 B12R0.763 C=C(C)CCNC(C)(CC)C(=O)O 269956a_100025756313_100000730704 [0,1,0,0,0,0|3,0,0]=4 241 B12R0.763 CCC(C)(NCCC(=O)C)C(=O)O 269956a_100025756313_100000053229 [0,1,0,0,0,0|2,0,0]=3 242 B12R0.763 CCC(C)(NCCC(=O)N)C(=O)O 269956a_100025756313_100000744528 [0,1,0,0,0,0|2,0,0]=3 243 B12R0.763 CCC(C)(NCCC(C)O)C(=O)O 269956a_100025756313_100012276601 [0,1,0,0,0,0|2,0,1]=4 244 B12R0.763 CCC(C)(NCOC(=O)C)C(=O)O 269956a_100025756313_100000076356 [0,1,0,0,0,0|3,0,0]=4 245 B12R1.130 C=C(Br)CCOC1CCOC1=O 34a_100009813270_100000211211 [0,0,0,1,0,0|3,0,0]=4 246 B12R1.130 C=C(C)CCOC1CCOC1=O 34a_100000764851_100000211211 [0,0,0,1,0,0|3,0,0]=4 247 B12R1.130 C=C(C)CCSC1CCOC1=O 62a_100000211211_100000730704 [0,0,0,1,0,0|3,0,0]=4 248 B12R1.130 C=C(C)CCSC1CCOC1=O 62a_100000730704_100000211211 [0,0,0,1,0,0|3,0,0]=4 249 B12R1.130 CC(=O)CCOC1CCCC1=O 34a_100000759926_100000709159 [0,0,0,1,0,0|3,0,0]=4 250 B12R1.130 CC(=O)CCOC1CCCC1=O 7a_100000759926_100000211823 [0,0,0,1,0,0|3,0,0]=4 251 B12R1.130 CC(=O)CCOC1CCOC1=O 34a_100000759926_100000211211 [0,0,0,1,0,0|2,0,0]=3 252 B12R1.130 CC(=O)CCOC1CCOC1=O 7a_100000759926_100000211211 [0,0,0,1,0,0|2,0,0]=3 253 B12R1.130 CC(=O)CCSC1CCCC1=O 62a_100000053229_100000211823 [0,0,0,1,0,0|3,0,0]=4 254 B12R1.130 CC(=O)CCSC1CCCC1=O 62a_100000211823_100000053229 [0,0,0,1,0,0|3,0,0]=4 255 B12R1.130 CC(=O)CCSC1CCOC1=O 62a_100000053229_100000211211 [0,0,0,1,0,0|2,0,0]=3 256 B12R1.130 CC(=O)CCSC1CCOC1=O 62a_100000211211_100000053229 [0,0,0,1,0,0|2,0,0]=3 257 B12R1.130 CC(=O)OCSC1CCOC1=O 62a_100000076356_100000211211 [0,0,0,1,0,0|3,0,0]=4 258 B12R1.130 CC(=O)OCSC1CCOC1=O 62a_100000211211_100000076356 [0,0,0,1,0,0|3,0,0]=4 259 B12R1.130 CC(O)CCNC1CCOC1=O 2230a_200000755665_100000211211 [0,0,0,1,0,0|2,0,1]=4 260 B12R1.130 CC(O)CCSC1CCOC1=O 62a_100000211211_100012276601 [0,0,0,1,0,0|2,0,1]=4 261 B12R1.130 CC(O)CCSC1CCOC1=O 62a_100012276601_100000211211 [0,0,0,1,0,0|2,0,1]=4 262 B12R1.130 NC(=O)CCNC1CCNC1=O 2230a_100016995588_100000744528 [0,0,0,1,0,0|3,0,0]=4 263 B12R1.130 NC(=O)CCNC1CCNC1=O 34a_100016995588_100000731001 [0,0,0,1,0,0|3,0,0]=4 264 B12R1.130 NC(=O)CCOC1CCCC1=O 34a_100000757172_100000709159 [0,0,0,1,0,0|3,0,0]=4 265 B12R1.130 NC(=O)CCOC1CCCC1=O 34a_200000719330_100000731001 [0,0,0,1,0,0|3,0,0]=4 266 B12R1.130 NC(=O)CCOC1CCCC1=O 7a_100000757172_100000211823 [0,0,0,1,0,0|3,0,0]=4 267 B12R1.130 NC(=O)CCOC1CCOC1=O 34a_100000757172_100000211211 [0,0,0,1,0,0|2,0,0]=3 268 B12R1.130 NC(=O)CCOC1CCOC1=O 7a_100000757172_100000211211 [0,0,0,1,0,0|2,0,0]=3 269 B12R1.130 NC(=O)CCO[C@H]1CCNC1=O 34a_100000688343_100000731001 [0,0,0,1,0,0|3,0,0]=4 270 B12R1.130 NC(=O)CCSC1CCCC1=O 62a_100000211823_100000744528 [0,0,0,1,0,0|3,0,0]=4 271 B12R1.130 NC(=O)CCSC1CCCC1=O 62a_100000744528_100000211823 [0,0,0,1,0,0|3,0,0]=4 272 B12R1.130 NC(=O)CCSC1CCOC1=O 62a_100000211211_100000744528 [0,0,0,1,0,0|2,0,0]=3 273 B12R1.130 NC(=O)CCSC1CCOC1=O 62a_100000744528_100000211211 [0,0,0,1,0,0|2,0,0]=3 274 B12R1.130 NC(=O)COCC1CCNC1=O 34a_100000133458_100000187820 [0,0,0,1,0,0|3,0,0]=4 275 B12R1.130 O=C(O)CNCN1CCCC1=O 269956a_100016091260_100000026320 [0,0,0,1,0,0|3,0,0]=4 276 B12R1.130 O=C(O)CONC1CCCC1=O 269956a_100000106656_100000211823 [0,0,0,1,0,0|3,0,0]=4 277 B12R1.130 O=C([O-])COCC1CCNC1=O 34a_100000133458_100020667443 [0,0,0,1,0,0|2,0,1]=4 278 B12R1.256 CC(=O)C1CCN(CC1)C(=O)C 1458a_100000194564_200000210301 [0,0,0,1,0,0|3,0,0]=4 279 B12R1.256 CC(=O)C1CCN(CC1)C(=O)N 1458a_100000199043_200000210301 [0,0,0,1,0,0|3,0,0]=4 280 B12R1.256 CC(=O)N1CCC(CC1)C(=O)N 11a_100000210938_100015343762 [0,0,0,1,0,0|3,0,0]=4 281 B12R1.256 CC(=O)N1CCC(CC1)C(=O)N 1626a_100000210938_100015343762 [0,0,0,1,0,0|3,0,0]=4 282 B12R1.256 CC(=O)N1CCC(CC1)C(=O)N 240690a_100000210938_100015343762 [0,0,0,1,0,0|3,0,0]=4 283 B12R1.256 CC(=O)N1CCC(CC1)C(=O)N 527a_100000210938_100103153847 [0,0,0,1,0,0|3,0,0]=4 284 B12R1.256 CC(=O)N1CCC(CC1)C(=O)[13CH3] 1458a_100000194564_200025704644 [0,0,0,1,0,0|3,0,0]=4 285 B12R1.256 [13CH3]C(=O)C1CCN(CC1)C(=O)N 1458a_100000199043_200025704644 [0,0,0,1,0,0|3,0,0]=4 286 B12R1.389 NC(=O)C1CCN(C1)CC(=O)[O-] 269982a_100000752358_100020667443 [0,0,0,1,0,0|2,0,1]=4 287 B12R1.389 NC(=O)C1CCN(C1)CC(=O)[O-] 34a_100000752358_100020667443 [0,0,0,1,0,0|2,0,1]=4 288 B12R1.389 NC(=O)CN1CCC(C1)C(=O)N 2230a_100000752358_100000747473 [0,0,0,1,0,0|3,0,0]=4 289 B12R1.389 NC(=O)CN1CCC(C1)C(=O)N 269982a_100000752358_100000187820 [0,0,0,1,0,0|3,0,0]=4 290 B12R1.389 NC(=O)CN1CCC(C1)C(=O)N 34a_100000752358_100000187820 [0,0,0,1,0,0|3,0,0]=4 291 B12R1.1535 CC[C@@H](NCCC1CO1)C(=O)O 269956a_100000747097_100000732470 [0,0,0,1,0,0|2,0,1]=4 292 B12R1.1804 C=C(C)CCN1CCC1C(=O)O 269956a_100000021838_100000730704 [0,0,0,1,0,0|3,0,0]=4 293 B12R1.1804 CC(=O)CCN1CCC1C(=O)O 269956a_100000021838_100000053229 [0,0,0,1,0,0|2,0,0]=3 294 B12R1.1804 CC(=O)OCN1CCC1C(=O)O 269956a_100000021838_100000076356 [0,0,0,1,0,0|3,0,0]=4 295 B12R1.1804 CC(O)CCN1CCC1C(=O)O 269956a_100000021838_100012276601 [0,0,0,1,0,0|2,0,1]=4 296 B12R1.1804 NC(=O)CCN1CCC1C(=O)O 269956a_100000021838_100000744528 [0,0,0,1,0,0|2,0,0]=3 297 B12R1.2131 CCC(SC1CC(=O)C1)C(=O)N 62a_100009894365_100000750255 [0,0,0,1,0,0|3,0,0]=4 298 B12R1.2131 CC[C@@H](NC1CC(=O)C1)C(=O)O 269956a_100000747097_100009894365 [0,0,0,1,0,0|2,0,0]=3 299 B12R1.2131 O=C1CC(C1)NC(CO)C(=O)O 269956a_100000187304_100009894365 [0,0,0,1,0,0|3,0,0]=4 300 B12R1.3582 C=C(C)CCNC1(CC1)C(=O)O 269956a_100000746478_100000730704 [0,0,0,1,0,0|3,0,0]=4 301 B12R1.3582 C=C(C)CNCC1(CC1)C(=O)O 269956a_100000703410_100000748629 [0,0,0,1,0,0|3,0,0]=4 302 B12R1.3582 C=C(F)CNCC1(CC1)C(=O)O 269956a_100000703410_100000042424 [0,0,0,1,0,0|3,0,0]=4 303 B12R1.3582 CC(=O)C1(CC1)NOCC(=O)O 269956a_100000106656_100000086384 [0,0,0,1,0,0|3,0,0]=4 304 B12R1.3582 CC(=O)C1(CC1)SCCC(=O)N 62a_100000086384_100000744528 [0,0,0,1,0,0|3,0,0]=4 305 B12R1.3582 CC(=O)C1(CC1)SCCC(=O)N 62a_100000744528_100000086384 [0,0,0,1,0,0|3,0,0]=4 306 B12R1.3582 CC(=O)CCNC1(CC1)C(=O)O 269956a_100000746478_100000053229 [0,0,0,1,0,0|2,0,0]=3 307 B12R1.3582 CC(=O)CCOC1(CC1)C(=O)N 34a_100000759926_100010760883 [0,0,0,1,0,0|3,0,0]=4 308 B12R1.3582 CC(=O)CCOC1(CC1)C(=O)N 7a_100000759926_100010760883 [0,0,0,1,0,0|3,0,0]=4 309 B12R1.3582 CC(=O)CCSC1(CC1)C(=O)C 62a_100000053229_100000086384 [0,0,0,1,0,0|3,0,0]=4 310 B12R1.3582 CC(=O)CCSC1(CC1)C(=O)C 62a_100000086384_100000053229 [0,0,0,1,0,0|3,0,0]=4 311 B12R1.3582 CC(=O)CCSC1(CC1)C(=O)N 62a_100000053229_100010760883 [0,0,0,1,0,0|3,0,0]=4 312 B12R1.3582 CC(=O)CCSC1(CC1)C(=O)N 62a_100010760883_100000053229 [0,0,0,1,0,0|3,0,0]=4 313 B12R1.3582 CC(=O)OCNC1(CC1)C(=O)O 269956a_100000746478_100000076356 [0,0,0,1,0,0|3,0,0]=4 314 B12R1.3582 CC(O)CCNC1(CC1)C(=O)O 269956a_100000746478_100012276601 [0,0,0,1,0,0|2,0,1]=4 315 B12R1.3582 CC(O)CNCC1(CC1)C(=O)O 269956a_100000703410_100011218427 [0,0,0,1,0,0|2,0,1]=4 316 B12R1.3582 C[C@@H](O)CNCC1(CC1)C(=O)O 269956a_100000703410_100009817552 [0,0,0,1,0,0|2,0,1]=4 317 B12R1.3582 NC(=O)C1(CC1)COCC(=O)[O-] 34a_100000117830_100020667443 [0,0,0,1,0,0|2,0,1]=4 318 B12R1.3582 NC(=O)CCNC1(CC1)C(=O)N 2230a_100000687655_100000744528 [0,0,0,1,0,0|3,0,0]=4 319 B12R1.3582 NC(=O)CCNC1(CC1)C(=O)O 269956a_100000746478_100000744528 [0,0,0,1,0,0|2,0,0]=3 320 B12R1.3582 NC(=O)CCOC1(CC1)C(=O)N 34a_100000757172_100010760883 [0,0,0,1,0,0|3,0,0]=4 321 B12R1.3582 NC(=O)CCOC1(CC1)C(=O)N 7a_100000757172_100010760883 [0,0,0,1,0,0|3,0,0]=4 322 B12R1.3582 NC(=O)CCSC1(CC1)C(=O)N 62a_100000744528_100010760883 [0,0,0,1,0,0|3,0,0]=4 323 B12R1.3582 NC(=O)CCSC1(CC1)C(=O)N 62a_100010760883_100000744528 [0,0,0,1,0,0|3,0,0]=4 324 B12R1.3582 NC(=O)CNCC1(CC1)C(=O)O 269956a_100000703410_100000187820 [0,0,0,1,0,0|2,0,0]=3 325 B12R1.3582 NC(=O)COCC1(CC1)C(=O)N 34a_100000117830_100000187820 [0,0,0,1,0,0|3,0,0]=4 326 B12R1.3582 NC(=O)COCC1(CC1)C(=O)N 7a_100000117830_100000187820 [0,0,0,1,0,0|3,0,0]=4 327 B12R1.3582 O=C(O)C1(CC1)CNC[N+](=O)[O-] 269956a_100000703410_100000761209 [0,0,0,1,0,0|2,0,1]=4 328 B12R1.3582 O=C([O-])CNCC1(CC1)C(=O)O 269956a_100000703410_100020667443 [0,0,0,1,0,0|1,0,1]=3 329 B10R0.84 C=C(C)CN[C@H](CC)C(=O)O 269956a_100000747097_100000748629 [0,0,0,0,1,0|3,0,0]=4 330 B10R0.84 C=C(F)CN[C@H](CC)C(=O)O 269956a_100000747097_100000042424 [0,0,0,0,1,0|3,0,0]=4 331 B10R0.84 CCC(NCC(=O)N)C(=O)N 2230a_100000711301_100000750255 [0,0,0,0,1,0|3,0,0]=4 332 B10R0.84 CCC(NCC(=O)N)C(=O)N 2230a_100000733705_100000747473 [0,0,0,0,1,0|3,0,0]=4 333 B10R0.84 CCC(NCC(=O)N)C(=O)N 34a_100000733705_100000187820 [0,0,0,0,1,0|3,0,0]=4 334 B10R0.84 CCC(NCC(=O)O)C(=O)N 269956a_100016091260_200011216081 [0,0,0,0,1,0|2,0,0]=3 335 B10R0.84 CCC(NCC(=O)[O-])C(=O)N 34a_100000733705_100020667443 [0,0,0,0,1,0|2,0,1]=4 336 B10R0.84 CCC(OCC(=O)C)C(=O)N 34a_100000211253_100000750255 [0,0,0,0,1,0|3,0,0]=4 337 B10R0.84 CCC(SCC(=O)N)C(=O)N 62a_100000747473_100000750255 [0,0,0,0,1,0|3,0,0]=4 338 B10R0.84 CCC(SCC(=O)N)C(=O)N 62a_100000750255_100000747473 [0,0,0,0,1,0|3,0,0]=4 339 B10R0.84 CCC(SCC(=O)[O-])C(=O)N 62a_100000750255_100020667443 [0,0,0,0,1,0|2,0,1]=4 340 B10R0.84 CCC(SCC(=O)[O-])C(=O)N 62a_100020667443_100000750255 [0,0,0,0,1,0|2,0,1]=4 341 B10R0.84 CCN(CCC(=O)N)C(=O)C 11a_100020645749_100015343762 [0,0,0,0,1,0|3,0,0]=4 342 B10R0.84 CCN(CCC(=O)N)C(=O)C 1626a_100020645749_100015343762 [0,0,0,0,1,0|3,0,0]=4 343 B10R0.84 CCN(CCC(=O)N)C(=O)C 240690a_100020645749_100015343762 [0,0,0,0,1,0|3,0,0]=4 344 B10R0.84 CCN(CCC(=O)N)C(=O)C 527a_100020645749_100103153847 [0,0,0,0,1,0|3,0,0]=4 345 B10R0.84 CC[C@@H](NCC(=O)N)C(=O)O 269956a_100000747097_100000187820 [0,0,0,0,1,0|2,0,0]=3 346 B10R0.84 CC[C@@H](NCC(=O)[O-])C(=O)O 269956a_100000747097_100020667443 [0,0,0,0,1,0|1,0,1]=3 347 B10R0.84 CC[C@@H](NCC(C)O)C(=O)O 269956a_100000747097_100011218427 [0,0,0,0,1,0|2,0,1]=4 348 B10R0.84 CC[C@@H](NC[C@@H](C)O)C(=O)O 269956a_100000747097_100009817552 [0,0,0,0,1,0|2,0,1]=4 349 B10R0.84 CC[C@@H](NC[N+](=O)[O-])C(=O)O 269956a_100000747097_100000761209 [0,0,0,0,1,0|2,0,1]=4 350 B10R0.84 CN[C@@H](CCC(=O)N)C(=O)N 2230a_200000143477_200000210301 [0,0,0,0,1,0|3,0,0]=4 351 B10R0.84 CN[C@@H](CCC(=O)N)C(=O)N 34a_200000143477_200000210301 [0,0,0,0,1,0|3,0,0]=4 352 B10R0.84 CN[C@@H](CCS(=O)C)C(=O)O 269956a_100015235763_200000210301 [0,0,0,0,1,0|3,0,0]=4 353 B10R0.84 CS(=O)CC[C@H](N[13CH3])C(=O)O 269956a_100015235763_200025704644 [0,0,0,0,1,0|3,0,0]=4 354 B10R0.84 NC(=O)CNC(CO)C(=O)O 269956a_100000187304_100000187820 [0,0,0,0,1,0|3,0,0]=4 355 B10R0.84 O=C([O-])CNC(CO)C(=O)O 269956a_100000187304_100020667443 [0,0,0,0,1,0|2,0,1]=4 356 B10R0.84 [13CH3]N[C@@H](CCC(=O)N)C(=O)N 2230a_200000143477_200025704644 [0,0,0,0,1,0|3,0,0]=4 357 B10R0.84 [13CH3]N[C@@H](CCC(=O)N)C(=O)N 34a_200000143477_200025704644 [0,0,0,0,1,0|3,0,0]=4 358 B12R0.238 C=C[C@H](NCCCC(=O)C)C(=O)O 269956a_100016992060_100011215641 [0,0,0,0,0,1|1,0,2]=4 359 B12R0.238 C=C[C@H](NCCCC(=O)N)C(=O)O 269956a_100016992060_100102525003 [0,0,0,0,0,1|1,0,2]=4 360 B12R0.238 CC(=O)CCCNC(CO)C(=O)O 269956a_100000187304_100011215641 [0,0,0,0,0,1|2,0,0]=3 361 B12R0.238 CC(=O)CCCN[C@@H](CO)C(=O)N 34a_100000729942_100000685027 [0,0,0,0,0,1|3,0,0]=4 362 B12R0.238 CC(=O)NCCNC(CO)C(=O)O 269956a_100000187304_100000189650 [0,0,0,0,0,1|3,0,0]=4 363 B12R0.238 CC(=O)OCCNC(CO)C(=O)O 269956a_100000187304_100009814007 [0,0,0,0,0,1|3,0,0]=4 364 B12R0.238 CC(O)CCCNC(CO)C(=O)O 269956a_100000187304_200000718107 [0,0,0,0,0,1|2,0,1]=4 365 B12R0.238 CCC(NCCCC(=O)C)C(=O)N 34a_100000733705_100000685027 [0,0,0,0,0,1|2,0,0]=3 366 B12R0.238 CCC(NCCCC(=O)N)C(=O)N 34a_100000733705_100102525003 [0,0,0,0,0,1|2,0,0]=3 367 B12R0.238 CCC(NCCCC(=O)N)C(=O)N 34a_100000739312_100000750255 [0,0,0,0,0,1|2,0,0]=3 368 B12R0.238 CCC(NCCCC(C)O)C(=O)N 2230a_100000733705_200000718107 [0,0,0,0,0,1|2,0,1]=4 369 B12R0.238 CCC(NCCCC(C)O)C(=O)N 34a_100000733705_200000718107 [0,0,0,0,0,1|2,0,1]=4 370 B12R0.238 CCC(NCCCS(=O)C)C(=O)N 2230a_200000753449_100000750255 [0,0,0,0,0,1|3,0,0]=4 371 B12R0.238 CCC(NCCNC(=O)C)C(=O)N 2230a_100000209853_100000750255 [0,0,0,0,0,1|3,0,0]=4 372 B12R0.238 CCC(NCCNC(=O)C)C(=O)N 2230a_100000733705_100000189650 [0,0,0,0,0,1|3,0,0]=4 373 B12R0.238 CCC(NCCNC(=O)N)C(=O)N 2230a_100000733705_200000034859 [0,0,0,0,0,1|3,0,0]=4 374 B12R0.238 CCC(NCCNC(=O)N)C(=O)N 34a_100020590234_100000750255 [0,0,0,0,0,1|3,0,0]=4 375 B12R0.238 CCC(NCCOC(=O)C)C(=O)N 34a_100000733705_100009814007 [0,0,0,0,0,1|3,0,0]=4 376 B12R0.238 CCC(NCCOC(=O)N)C(=O)N 34a_100000733705_200011214921 [0,0,0,0,0,1|3,0,0]=4 377 B12R0.238 CCC(OCCCC(=O)C)C(=O)N 34a_100000759063_100000750255 [0,0,0,0,0,1|2,0,0]=3 378 B12R0.238 CCC(OCCCC(=O)C)C(=O)N 7a_100000759063_100000750255 [0,0,0,0,0,1|2,0,0]=3 379 B12R0.238 CCC(OCCC[N+](=O)[O-])C(=O)N 34a_200000037920_100000750255 [0,0,0,0,0,1|2,0,1]=4 380 B12R0.238 CCC(OCCNC(=O)C)C(=O)N 34a_100000158858_100000750255 [0,0,0,0,0,1|3,0,0]=4 381 B12R0.238 CCC(OCCNC(=O)N)C(=O)N 34a_100000181757_100000750255 [0,0,0,0,0,1|3,0,0]=4 382 B12R0.238 CCC(OCCOC(=O)N)C(=O)N 7a_100000766696_100000750255 [0,0,0,0,0,1|3,0,0]=4 383 B12R0.238 CCC(SCCCC(=O)C)C(=O)N 62a_100000750255_100011215641 [0,0,0,0,0,1|2,0,0]=3 384 B12R0.238 CCC(SCCCC(=O)C)C(=O)N 62a_100011215641_100000750255 [0,0,0,0,0,1|2,0,0]=3 385 B12R0.238 CCC(SCCCC(=O)N)C(=O)N 62a_100000750255_100102525003 [0,0,0,0,0,1|2,0,0]=3 386 B12R0.238 CCC(SCCCC(=O)N)C(=O)N 62a_100102525003_100000750255 [0,0,0,0,0,1|2,0,0]=3 387 B12R0.238 CCC(SCCCC(C)O)C(=O)N 62a_100000750255_200000718107 [0,0,0,0,0,1|2,0,1]=4 388 B12R0.238 CCC(SCCCC(C)O)C(=O)N 62a_200000718107_100000750255 [0,0,0,0,0,1|2,0,1]=4 389 B12R0.238 CCC(SCCNC(=O)C)C(=O)N 62a_100000189650_100000750255 [0,0,0,0,0,1|3,0,0]=4 390 B12R0.238 CCC(SCCNC(=O)C)C(=O)N 62a_100000750255_100000189650 [0,0,0,0,0,1|3,0,0]=4 391 B12R0.238 CCC(SCCNC(=O)N)C(=O)N 62a_100000750255_200000034859 [0,0,0,0,0,1|3,0,0]=4 392 B12R0.238 CCC(SCCNC(=O)N)C(=O)N 62a_200000034859_100000750255 [0,0,0,0,0,1|3,0,0]=4 393 B12R0.238 CCC(SCCOC(=O)C)C(=O)N 62a_100000750255_100009814007 [0,0,0,0,0,1|3,0,0]=4 394 B12R0.238 CCC(SCCOC(=O)C)C(=O)N 62a_100009814007_100000750255 [0,0,0,0,0,1|3,0,0]=4 395 B12R0.238 CCC(SCCOC(=O)N)C(=O)N 62a_100000750255_200011214921 [0,0,0,0,0,1|3,0,0]=4 396 B12R0.238 CCC(SCCOC(=O)N)C(=O)N 62a_200011214921_100000750255 [0,0,0,0,0,1|3,0,0]=4 397 B12R0.238 CC[C@@H](NCCC=C(C)C)C(=O)O 269956a_100000747097_100011217483 [0,0,0,0,0,1|2,0,1]=4 398 B12R0.238 CC[C@@H](NCCC=C(F)F)C(=O)O 269956a_100000747097_200009816681 [0,0,0,0,0,1|2,0,1]=4 399 B12R0.238 CC[C@@H](NCCCC(=O)C)C(=O)O 269956a_100000747097_100011215641 [0,0,0,0,0,1|1,0,0]=2 400 B12R0.238 CC[C@@H](NCCCC(=O)N)C(=O)O 269956a_100000747097_100102525003 [0,0,0,0,0,1|1,0,0]=2 401 B12R0.238 CC[C@@H](NCCCC(C)C)C(=O)O 269956a_100000747097_100011214892 [0,0,0,0,0,1|2,0,1]=4 402 B12R0.238 CC[C@@H](NCCCC(C)O)C(=O)O 269956a_100000747097_200000718107 [0,0,0,0,0,1|1,0,1]=3 403 B12R0.238 CC[C@@H](NCCCN(C)C)C(=O)O 269956a_100000747097_100000757444 [0,0,0,0,0,1|3,0,0]=4 404 B12R0.238 CC[C@@H](NCCNC(=O)C)C(=O)O 269956a_100000747097_100000189650 [0,0,0,0,0,1|2,0,0]=3 405 B12R0.238 CC[C@@H](NCCNC(=O)N)C(=O)O 269956a_100000747097_200000034859 [0,0,0,0,0,1|2,0,0]=3 406 B12R0.238 CC[C@@H](NCCOC(=O)C)C(=O)O 269956a_100000747097_100009814007 [0,0,0,0,0,1|2,0,0]=3 407 B12R0.238 CC[C@H](NCCCC(=O)C)[C@@H](C)O 34a_100161114882_100000685027 [0,0,0,0,0,1|2,0,1]=4 408 B12R0.238 CC[C@H](NCCCC(=O)N)[C@@H](C)O 34a_100161114882_100102525003 [0,0,0,0,0,1|2,0,1]=4 409 B12R0.238 NC(=O)CCCNC(CO)C(=O)O 269956a_100000187304_100102525003 [0,0,0,0,0,1|2,0,0]=3 410 B12R0.238 NC(=O)CCCN[C@@H](CO)C(=O)N 34a_100000729942_100102525003 [0,0,0,0,0,1|3,0,0]=4 411 B12R0.238 NC(=O)NCCNC(CO)C(=O)O 269956a_100000187304_200000034859 [0,0,0,0,0,1|3,0,0]=4 412 B12R0.535 C=C(C)CCN[C@H](CC)CC(=O)O 269956a_100016995926_100000730704 [0,0,0,0,0,1|3,0,0]=4 413 B12R0.535 CC(=O)CCN[C@H](CO)CC(=O)O 269956a_100009816507_100000053229 [0,0,0,0,0,1|3,0,0]=4 414 B12R0.535 CCN(CCCC(=O)C)CC(=O)O 269956a_100000746405_100011215641 [0,0,0,0,0,1|2,0,0]=3 415 B12R0.535 CCN(CCCC(=O)N)CC(=O)O 269956a_100000746405_100102525003 [0,0,0,0,0,1|2,0,0]=3 416 B12R0.535 CCN(CCCC(C)O)CC(=O)O 269956a_100000746405_200000718107 [0,0,0,0,0,1|2,0,1]=4 417 B12R0.535 CCN(CCNC(=O)C)CC(=O)O 269956a_100000746405_100000189650 [0,0,0,0,0,1|3,0,0]=4 418 B12R0.535 CCN(CCNC(=O)N)CC(=O)O 269956a_100000746405_200000034859 [0,0,0,0,0,1|3,0,0]=4 419 B12R0.535 CCN(CCOC(=O)C)CC(=O)O 269956a_100000746405_100009814007 [0,0,0,0,0,1|3,0,0]=4 420 B12R0.535 CC[C@H](CC(=O)O)NCCC(=O)C 269956a_100016995926_100000053229 [0,0,0,0,0,1|2,0,0]=3 421 B12R0.535 CC[C@H](CC(=O)O)NCCC(=O)N 269956a_100016995926_100000744528 [0,0,0,0,0,1|2,0,0]=3 422 B12R0.535 CC[C@H](CC(=O)O)NCCC(C)O 269956a_100016995926_100012276601 [0,0,0,0,0,1|2,0,1]=4 423 B12R0.535 CC[C@H](CC(=O)O)NCOC(=O)C 269956a_100016995926_100000076356 [0,0,0,0,0,1|3,0,0]=4 424 B12R0.535 NC(=O)CCN[C@H](CO)CC(=O)O 269956a_100009816507_100000744528 [0,0,0,0,0,1|3,0,0]=4 425 B9R0.1 CCC(=O)CCCC(=O)C 1458a_100000210414_100011215641 [2,0,0,0,0,0|1,0,1]=4 426 B9R0.1 CCC(=O)CCCC(=O)N 1458a_100000210414_100102525003 [2,0,0,0,0,0|1,0,1]=4 427 B9R0.1 CCC(=O)CNCC(=O)O 269956a_100016091260_100000747405 [2,0,0,0,0,0|1,0,1]=4 428 B9R0.1 CCC(C)CNCC(=O)O 269956a_100016091260_100000748023 [2,0,0,0,0,0|1,0,1]=4 429 B9R0.1 CCC(O)CNCC(=O)N 2230a_100000711301_100011218378 [2,0,0,0,0,0|2,0,0]=4 430 B9R0.1 CCC(O)CNCC(=O)N 2230a_100011218483_100000747473 [2,0,0,0,0,0|2,0,0]=4 431 B9R0.1 CCC(O)CNCC(=O)O 269956a_100016091260_100011218378 [2,0,0,0,0,0|1,0,0]=3 432 B9R0.1 CCC(O)COCC(=O)C 34a_100000211253_100011218378 [2,0,0,0,0,0|2,0,0]=4 433 B9R0.1 CCC(O)CSCC(=O)N 62a_100000747473_100011218378 [2,0,0,0,0,0|2,0,0]=4 434 B9R0.1 CCC(O)CSCC(=O)N 62a_100011218378_100000747473 [2,0,0,0,0,0|2,0,0]=4 435 B9R0.1 CCC(O)CSCC(=O)[O-] 62a_100011218378_100020667443 [2,0,0,0,0,0|1,0,1]=4 436 B9R0.1 CCC(O)CSCC(=O)[O-] 62a_100020667443_100011218378 [2,0,0,0,0,0|1,0,1]=4 437 B9R0.1 CCN(C)CCCC(=O)O 269956a_100000719178_100000210202 [2,0,0,0,0,0|1,0,1]=4 438 B9R0.1 CC[C@H](C)CNCC(=O)O 269956a_100016091260_100009816398 [2,0,0,0,0,0|1,0,1]=4 439 B9R0.1 C[C@@H](CO)CNCC(=O)O 269956a_100016091260_100000059175 [2,0,0,0,0,0|1,0,1]=4 440 B9R0.1 O=C(O)CNCC(O)CO 269956a_100016091260_100011219619 [2,0,0,0,0,0|2,0,0]=4 441 B9R0.1 O=C(O)CNC[C@@H](O)CF 269956a_100016091260_100015614560 [2,0,0,0,0,0|2,0,0]=4 442 B9R0.1 O=C(O)CNC[C@@H](O)CO 269956a_100016091260_100009815848 [2,0,0,0,0,0|2,0,0]=4 443 B9R0.13 C=CCN[C@H](CC)C(=O)O 269956a_100000747097_100000210623 [2,0,0,0,0,0|1,0,1]=4 444 B9R0.13 CCC(NCC=O)C(=O)N 2230a_100000733705_200015260668 [2,0,0,0,0,0|2,0,0]=4 445 B9R0.13 CCC(NCC=O)C(=O)N 34a_100000733705_200009817547 [2,0,0,0,0,0|2,0,0]=4 446 B9R0.13 CCC(NCCO)C(=O)N 2230a_100000733705_100000211926 [2,0,0,0,0,0|2,0,0]=4 447 B9R0.13 CCC(NCCO)C(=O)N 2230a_100016997473_100000750255 [2,0,0,0,0,0|2,0,0]=4 448 B9R0.13 CCC(NCCO)C(=O)N 34a_100000733705_100000211926 [2,0,0,0,0,0|2,0,0]=4 449 B9R0.13 CCC(NCCO)C(=O)N 34a_100016990907_100000750255 [2,0,0,0,0,0|2,0,0]=4 450 B9R0.13 CCC(SCC=O)C(=O)N 62a_100000750255_200015260668 [2,0,0,0,0,0|2,0,0]=4 451 B9R0.13 CCC(SCC=O)C(=O)N 62a_200015260668_100000750255 [2,0,0,0,0,0|2,0,0]=4 452 B9R0.13 CCC(SCCO)C(=O)N 62a_100000211926_100000750255 [2,0,0,0,0,0|2,0,0]=4 453 B9R0.13 CCC(SCCO)C(=O)N 62a_100000750255_100000211926 [2,0,0,0,0,0|2,0,0]=4 454 B9R0.13 CCCCC(CC)C(=O)C 1458a_100000070787_200011216223 [2,0,0,0,0,0|1,0,1]=4 455 B9R0.13 CCCCC(CC)C(=O)C 1458a_100000211130_200000210301 [2,0,0,0,0,0|1,0,1]=4 456 B9R0.13 CCCCC(CC)C(=O)[13CH3] 1458a_100000211130_200025704644 [2,0,0,0,0,0|1,0,1]=4 457 B9R0.13 CCCN[C@H](CC)C(=O)O 269956a_100000747097_100000210207 [2,0,0,0,0,0|1,0,1]=4 458 B9R0.13 CC[C@@H](NCC=O)C(=O)O 269956a_100000747097_200015260668 [2,0,0,0,0,0|1,0,0]=3 459 B9R0.13 CC[C@@H](NCCF)C(=O)O 269956a_100000747097_100011217306 [2,0,0,0,0,0|2,0,0]=4 460 B9R0.13 CC[C@@H](NCCO)C(=O)O 269956a_100000747097_100000211926 [2,0,0,0,0,0|1,0,0]=3 461 B9R0.13 O=C(O)C(CO)NCCO 269956a_100000187304_100000211926 [2,0,0,0,0,0|2,0,0]=4 462 B9R0.13 O=CCNC(CO)C(=O)O 269956a_100000187304_200015260668 [2,0,0,0,0,0|2,0,0]=4 463 B9R0.47 C=CCCN[C@@H](C)C(=O)O 269956a_100000743915_100000754431 [2,0,0,0,0,0|2,0,0]=4 464 B9R0.47 C=CCNCC(C)C(=O)O 269956a_100000749485_100000210623 [2,0,0,0,0,0|2,0,0]=4 465 B9R0.47 CC(=O)C(C)COCC=O 34a_100000032740_200009817547 [2,0,0,0,0,0|2,0,0]=4 466 B9R0.47 CC(=O)C(C)COCC=O 7a_100000032740_200015260668 [2,0,0,0,0,0|2,0,0]=4 467 B9R0.47 CC(CNCC=O)C(=O)O 269956a_100000749485_200015260668 [2,0,0,0,0,0|1,0,0]=3 468 B9R0.47 CC(CNCCO)C(=O)O 269956a_100000749485_100000211926 [2,0,0,0,0,0|1,0,1]=4 469 B9R0.47 C[C@H](NCCCO)C(=O)O 269956a_100000743915_100011215043 [2,0,0,0,0,0|1,0,1]=4 470 B9R0.47 O=CCNCC(F)C(=O)O 269956a_100000084737_200015260668 [2,0,0,0,0,0|2,0,0]=4 471 B9R0.55 CC(=O)CCCCC(=O)C 1458a_100000070787_100000735457 [2,0,0,0,0,0|2,0,0]=4 472 B9R0.55 CC(=O)CCNCC(=O)O 269956a_100016091260_100000053229 [2,0,0,0,0,0|2,0,0]=4 473 B9R0.55 NC(=O)CCNCC(=O)O 269956a_100016091260_100000744528 [2,0,0,0,0,0|2,0,0]=4 474 B11R0.200 C=CC(CC)OCCC(=O)OC 34a_100000766422_100000742370 [1,1,0,0,0,0|2,0,0]=4 475 B11R0.200 C=CC(CC)OCCC(=O)OC 7a_100000766422_100000204255 [1,1,0,0,0,0|2,0,0]=4 476 B11R0.200 CC[C@@H](CO)NCCC(=O)OC 2230a_100000709445_100000204255 [1,1,0,0,0,0|1,0,1]=4 477 B11R0.55 CC[C@@H](NC(C)CCO)C(=O)O 269956a_100000747097_100009893172 [1,1,0,0,0,0|1,0,1]=4 478 B11R0.75 C=CCCNC(CC)C(=O)OC 2230a_100015191253_100000235869 [1,1,0,0,0,0|2,0,0]=4 479 B11R0.75 C=CCCOC(CC)C(=O)OC 34a_100000695916_100000754431 [1,1,0,0,0,0|2,0,0]=4 480 B11R0.75 C=CCCOC(CC)C(=O)OC 34a_100011205117_100000235869 [1,1,0,0,0,0|2,0,0]=4 481 B11R0.75 C=CCCOC(CC)C(=O)OC 7a_100000695916_100000754431 [1,1,0,0,0,0|2,0,0]=4 482 B11R0.75 C=CCCSC(CC)C(=O)OC 62a_100000235869_100000754431 [1,1,0,0,0,0|2,0,0]=4 483 B11R0.75 C=CCCSC(CC)C(=O)OC 62a_100000754431_100000235869 [1,1,0,0,0,0|2,0,0]=4 484 B11R0.75 CCC(OCCCO)C(=O)OC 34a_100000695916_100000230001 [1,1,0,0,0,0|1,0,1]=4 485 B11R0.75 CCC(OCCCO)C(=O)OC 7a_100000695916_100011215043 [1,1,0,0,0,0|1,0,1]=4 486 B11R0.75 CCC(SCCCO)C(=O)OC 62a_100000235869_100011215043 [1,1,0,0,0,0|1,0,1]=4 487 B11R0.75 CCC(SCCCO)C(=O)OC 62a_100011215043_100000235869 [1,1,0,0,0,0|1,0,1]=4 488 B11R0.75 CCN(CCCCO)C(=O)CO 240690a_100011217355_100000210174 [1,1,0,0,0,0|1,0,1]=4 489 B11R0.76 C#CCCCN[C@H](CC)C(=O)O 269956a_100000747097_100011215417 [1,1,0,0,0,0|1,0,1]=4 490 B11R0.76 C=CCCCNC(CC)C(=O)N 2230a_100000700776_100000750255 [1,1,0,0,0,0|2,0,0]=4 491 B11R0.76 C=CCCCNC(CC)C(=O)N 2230a_100000733705_100011713584 [1,1,0,0,0,0|2,0,0]=4 492 B11R0.76 C=CCCCNC(CC)C(=O)N 34a_100000700776_100000750255 [1,1,0,0,0,0|2,0,0]=4 493 B11R0.76 C=CCCCNC(CC)C(=O)N 34a_100000733705_100000757094 [1,1,0,0,0,0|2,0,0]=4 494 B11R0.76 C=CCCCNC(CO)C(=O)O 269956a_100000187304_100011713584 [1,1,0,0,0,0|2,0,0]=4 495 B11R0.76 C=CCCCN[C@H](CC)C(=O)O 269956a_100000747097_100011713584 [1,1,0,0,0,0|1,0,0]=3 496 B11R0.76 C=CCCCOC(CC)C(=O)N 34a_100000758997_100000750255 [1,1,0,0,0,0|2,0,0]=4 497 B11R0.76 C=CCCCOC(CC)C(=O)N 7a_100000758997_100000750255 [1,1,0,0,0,0|2,0,0]=4 498 B11R0.76 C=CCCCSC(CC)C(=O)N 62a_100000750255_100000757094 [1,1,0,0,0,0|2,0,0]=4 499 B11R0.76 C=CCCCSC(CC)C(=O)N 62a_100011713584_100000750255 [1,1,0,0,0,0|2,0,0]=4 500 B11R0.76 C=COCCN[C@H](CC)C(=O)O 269956a_100000747097_100000039644 [1,1,0,0,0,0|2,0,0]=4 501 B11R0.76 C=C[C@H](NCCCC=O)C(=O)O 269956a_100016992060_200011292268 [1,1,0,0,0,0|0,0,2]=4 502 B11R0.76 CCC(NCCCC=O)C(=O)N 2230a_100000733705_200011292268 [1,1,0,0,0,0|1,0,0]=3 503 B11R0.76 CCC(NCCCCO)C(=O)N 2230a_100000733705_100000210776 [1,1,0,0,0,0|1,0,1]=4 504 B11R0.76 CCC(NCCCCO)C(=O)N 2230a_100000750430_100000750255 [1,1,0,0,0,0|1,0,1]=4 505 B11R0.76 CCC(NCCCCO)C(=O)N 34a_100000733705_100011216708 [1,1,0,0,0,0|1,0,1]=4 506 B11R0.76 CCC(NCCCCO)C(=O)N 34a_100000750430_100000750255 [1,1,0,0,0,0|1,0,1]=4 507 B11R0.76 CCC(SCCCC=O)C(=O)N 62a_100000750255_200011292268 [1,1,0,0,0,0|1,0,0]=3 508 B11R0.76 CCC(SCCCC=O)C(=O)N 62a_200011292268_100000750255 [1,1,0,0,0,0|1,0,0]=3 509 B11R0.76 CCC(SCCCCO)C(=O)N 62a_100000210776_100000750255 [1,1,0,0,0,0|1,0,1]=4 510 B11R0.76 CCC(SCCCCO)C(=O)N 62a_100000750255_100000210776 [1,1,0,0,0,0|1,0,1]=4 511 B11R0.76 CCCCCN[C@H](CC)C(=O)O 269956a_100000747097_100000210326 [1,1,0,0,0,0|1,0,1]=4 512 B11R0.76 CC[C@@H](NCCCC#N)C(=O)O 269956a_100000747097_100000687738 [1,1,0,0,0,0|1,0,1]=4 513 B11R0.76 CC[C@@H](NCCCC=O)C(=O)O 269956a_100000747097_200011292268 [1,1,0,0,0,0|0,0,0]=2 514 B11R0.76 CC[C@@H](NCCCCF)C(=O)O 269956a_100000747097_100000729493 [1,1,0,0,0,0|1,0,1]=4 515 B11R0.76 CC[C@@H](NCCCCO)C(=O)O 269956a_100000747097_100000210776 [1,1,0,0,0,0|0,0,1]=3 516 B11R0.76 CC[C@@H](NCCCOC)C(=O)O 269956a_100000747097_100000740836 [1,1,0,0,0,0|1,0,1]=4 517 B11R0.76 CC[C@H](NCCCC=O)[C@@H](C)O 2230a_100161114882_200011292268 [1,1,0,0,0,0|1,0,1]=4 518 B11R0.76 NC(=O)[C@H](CO)NCCCC=O 2230a_100000729942_200011292268 [1,1,0,0,0,0|2,0,0]=4 519 B11R0.76 O=C(O)C(CO)NCCCCO 269956a_100000187304_100000210776 [1,1,0,0,0,0|1,0,1]=4 520 B11R0.76 O=CCCCNC(CO)C(=O)O 269956a_100000187304_200011292268 [1,1,0,0,0,0|1,0,0]=3 521 B11R0.78 C=CCCN[C@@H](CCC)C(=O)O 269956a_100000750406_100000754431 [1,1,0,0,0,0|2,0,0]=4 522 B11R0.78 C=CCCN[C@@H](CSC)C(=O)O 269956a_100011421858_100000754431 [1,1,0,0,0,0|2,0,0]=4 523 B11R0.78 C=CCCN[C@@H](C[Se]C)C(=O)O 269956a_100015254316_100000754431 [1,1,0,0,0,0|2,0,0]=4 524 B11R0.78 C=CCCN[C@H](COC)C(=O)O 269956a_100011998655_100000754431 [1,1,0,0,0,0|2,0,0]=4 525 B11R0.78 CCC[C@H](NCCCO)C(=O)O 269956a_100000750406_100011215043 [1,1,0,0,0,0|1,0,1]=4 526 B11R0.78 COC[C@@H](NCCCO)C(=O)O 269956a_100011998655_100011215043 [1,1,0,0,0,0|1,0,1]=4 527 B11R0.78 CSC[C@H](NCCCO)C(=O)O 269956a_100011421858_100011215043 [1,1,0,0,0,0|1,0,1]=4 528 B11R0.78 C[Se]C[C@H](NCCCO)C(=O)O 269956a_100015254316_100011215043 [1,1,0,0,0,0|1,0,1]=4 529 B11R0.90 C=CC(O)CN[C@H](CC)C(=O)O 269956a_100000747097_100000730141 [1,1,0,0,0,0|2,0,0]=4 530 B11R0.90 CC[C@@H](NCC(O)CO)C(=O)O 269956a_100000747097_100011219619 [1,1,0,0,0,0|1,0,1]=4 531 B11R0.90 CC[C@@H](NC[C@@H](C)CO)C(=O)O 269956a_100000747097_100000059175 [1,1,0,0,0,0|1,0,1]=4 532 B11R0.90 CC[C@@H](NC[C@@H](O)CO)C(=O)O 269956a_100000747097_100009815848 [1,1,0,0,0,0|1,0,1]=4 533 B11R0.153 C=CCCNC(C(=O)O)C(C)O 269956a_100000185852_100000754431 [1,1,0,0,0,0|2,0,0]=4 534 B11R0.153 C=CCCN[C@@H](C(=O)O)C(C)C 269956a_100000745019_100000754431 [1,1,0,0,0,0|2,0,0]=4 535 B11R0.153 CC(C)[C@@H](NCCCO)C(=O)O 269956a_100000745019_100011215043 [1,1,0,0,0,0|1,0,1]=4 536 B11R0.153 CC(O)C(NCCCO)C(=O)O 269956a_100000185852_100011215043 [1,1,0,0,0,0|1,0,1]=4 537 B11R0.329 C=CCCNC(C)(CC)C(=O)O 269956a_100025756313_100000754431 [1,1,0,0,0,0|2,0,0]=4 538 B11R0.329 CCC(C)(NCCCO)C(=O)O 269956a_100025756313_100011215043 [1,1,0,0,0,0|1,0,1]=4 539 B11R0.109 CCC(=O)CNCC(C)C(=O)O 269956a_100000749485_100000747405 [1,1,0,0,0,0|2,0,0]=4 540 B11R0.109 CNC(=O)CCN[C@@H](C)C(=O)O 269956a_100000743915_100000737683 [1,1,0,0,0,0|2,0,0]=4 541 B11R0.109 CNC(=O)CNCC(C)C(=O)O 269956a_100000749485_100000183359 [1,1,0,0,0,0|2,0,0]=4 542 B11R0.109 COC(=O)CCCN(C)C(=O)C 240690a_100000739225_100015343762 [1,1,0,0,0,0|2,0,0]=4 543 B11R0.109 COC(=O)CCCN(C)C(=O)C 527a_100000739225_100103153847 [1,1,0,0,0,0|2,0,0]=4 544 B11R0.109 COC(=O)CCN[C@@H](C)C(=O)O 269956a_100000743915_100000204255 [1,1,0,0,0,0|1,0,0]=3 545 B11R0.109 COC(=O)CCN[C@H](C)C(=O)N 2230a_100000119354_100000204255 [1,1,0,0,0,0|2,0,0]=4 546 B11R0.109 COC(=O)CCN[C@H](C)C(=O)N 34a_100000119354_100000742370 [1,1,0,0,0,0|2,0,0]=4 547 B11R0.109 COC(=O)CCOC(C)C(=O)C 34a_100000212229_100000742370 [1,1,0,0,0,0|2,0,0]=4 548 B11R0.109 COC(=O)CCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000204255 [1,1,0,0,0,0|1,0,1]=4 549 B11R0.109 COC(=O)CCO[C@H](C)C(=O)N 34a_100000731257_100000742370 [1,1,0,0,0,0|2,0,0]=4 550 B11R0.109 COC(=O)CCO[C@H](C)C(=O)N 7a_100000731257_100000204255 [1,1,0,0,0,0|2,0,0]=4 551 B11R0.109 COC(=O)CCSC(C)C(=O)C 62a_100000204255_100009814033 [1,1,0,0,0,0|2,0,0]=4 552 B11R0.109 COC(=O)CCSC(C)C(=O)C 62a_100009814033_100000204255 [1,1,0,0,0,0|2,0,0]=4 553 B11R0.109 COC(=O)CCSC(C)C(=O)N 62a_100000204255_100000702099 [1,1,0,0,0,0|2,0,0]=4 554 B11R0.109 COC(=O)CCSC(C)C(=O)N 62a_100000702099_100000204255 [1,1,0,0,0,0|2,0,0]=4 555 B11R0.109 COC(=O)CNCC(C)C(=O)O 269956a_100000749485_100000747449 [1,1,0,0,0,0|1,0,0]=3 556 B11R0.109 COC(=O)CNCC(F)C(=O)O 269956a_100000084737_100000747449 [1,1,0,0,0,0|2,0,0]=4 557 B11R0.109 COC(=O)COCC(C)C(=O)C 34a_100000032740_100000747449 [1,1,0,0,0,0|2,0,0]=4 558 B11R0.109 COC(=O)COCC(C)C(=O)C 7a_100000032740_100000747449 [1,1,0,0,0,0|2,0,0]=4 559 B11R0.145 COC(=O)C(C)COCC(=O)C 34a_100000211253_100000698445 [1,1,0,0,0,0|2,0,0]=4 560 B11R0.145 COC(=O)C(C)COCC(=O)N 34a_100000749362_100000187820 [1,1,0,0,0,0|2,0,0]=4 561 B11R0.145 COC(=O)C(C)COCC(=O)N 7a_100000749362_100000187820 [1,1,0,0,0,0|2,0,0]=4 562 B11R0.145 COC(=O)C(C)COCC(=O)[O-] 34a_100000749362_100020667443 [1,1,0,0,0,0|1,0,1]=4 563 B11R0.145 COC(=O)C(C)CSCC(=O)N 62a_100000698445_100000747473 [1,1,0,0,0,0|2,0,0]=4 564 B11R0.145 COC(=O)C(C)CSCC(=O)N 62a_100000747473_100000698445 [1,1,0,0,0,0|2,0,0]=4 565 B11R0.145 COC(=O)C(C)CSCC(=O)[O-] 62a_100000698445_100020667443 [1,1,0,0,0,0|1,0,1]=4 566 B11R0.145 COC(=O)C(C)CSCC(=O)[O-] 62a_100020667443_100000698445 [1,1,0,0,0,0|1,0,1]=4 567 B11R0.145 COC(=O)C(C)OCCC(=O)C 34a_100000759926_100000211248 [1,1,0,0,0,0|2,0,0]=4 568 B11R0.145 COC(=O)C(C)OCCC(=O)C 7a_100000759926_100000211248 [1,1,0,0,0,0|2,0,0]=4 569 B11R0.145 COC(=O)C(C)OCCC(=O)N 34a_100000757172_100000211248 [1,1,0,0,0,0|2,0,0]=4 570 B11R0.145 COC(=O)C(C)OCCC(=O)N 34a_100011215400_100000731001 [1,1,0,0,0,0|2,0,0]=4 571 B11R0.145 COC(=O)C(C)OCCC(=O)N 7a_100000757172_100000211248 [1,1,0,0,0,0|2,0,0]=4 572 B11R0.145 COC(=O)C(C)SCCC(=O)C 62a_100000053229_100000211248 [1,1,0,0,0,0|2,0,0]=4 573 B11R0.145 COC(=O)C(C)SCCC(=O)C 62a_100000211248_100000053229 [1,1,0,0,0,0|2,0,0]=4 574 B11R0.145 COC(=O)C(C)SCCC(=O)N 62a_100000211248_100000744528 [1,1,0,0,0,0|2,0,0]=4 575 B11R0.145 COC(=O)C(C)SCCC(=O)N 62a_100000744528_100000211248 [1,1,0,0,0,0|2,0,0]=4 576 B11R0.145 COC(=O)N(C)CCCC(=O)C 1458a_100000752137_200000210301 [1,1,0,0,0,0|2,0,0]=4 577 B11R0.145 COC(=O)N(C)CCCC(=O)[13CH3] 1458a_100000752137_200025704644 [1,1,0,0,0,0|2,0,0]=4 578 B11R0.150 CC(=O)C(C)NCC(C)C(=O)O 269956a_100000749485_100009814033 [1,1,0,0,0,0|2,0,0]=4 579 B11R0.150 CC(=O)C(C)NCC(F)C(=O)O 269956a_100000084737_100009814033 [1,1,0,0,0,0|2,0,0]=4 580 B11R0.173 CC(=O)CCN(C)C(C)C(=O)O 269956a_100000749554_100000053229 [1,1,0,0,0,0|2,0,0]=4 581 B11R0.173 CC(C(=O)O)N(C)CCC(=O)N 269956a_100000749554_100000744528 [1,1,0,0,0,0|2,0,0]=4 582 B11R0.202 CC(C)(CNCC(=O)N)C(=O)O 269956a_100000693527_100000187820 [1,1,0,0,0,0|2,0,0]=4 583 B11R0.202 CC(C)(CNCC(=O)[O-])C(=O)O 269956a_100000693527_100020667443 [1,1,0,0,0,0|1,0,1]=4 584 B11R0.28 CC(C)[C@@H](NCC(=O)N)C(=O)O 269956a_100000745019_100000187820 [0,1,0,0,1,0|2,0,0]=4 585 B11R0.28 CC(C)[C@@H](NCC(=O)[O-])C(=O)O 269956a_100000745019_100020667443 [0,1,0,0,1,0|1,0,1]=4 586 B11R0.28 CC(O)C(NCC(=O)N)C(=O)O 269956a_100000185852_100000187820 [0,1,0,0,1,0|2,0,0]=4 587 B11R0.28 CC(O)C(NCC(=O)[O-])C(=O)O 269956a_100000185852_100020667443 [0,1,0,0,1,0|1,0,1]=4 588 B11R0.118 CCC(NCC(=O)N)C(=O)OC 2230a_100000711301_100000235869 [0,1,0,0,1,0|2,0,0]=4 589 B11R0.118 CCC(OCC(=O)C)C(=O)OC 34a_100000211253_100000235869 [0,1,0,0,1,0|2,0,0]=4 590 B11R0.118 CCC(OCC(=O)N)C(=O)OC 34a_100000695916_100000187820 [0,1,0,0,1,0|2,0,0]=4 591 B11R0.118 CCC(OCC(=O)N)C(=O)OC 7a_100000695916_100000187820 [0,1,0,0,1,0|2,0,0]=4 592 B11R0.118 CCC(OCC(=O)[O-])C(=O)OC 34a_100000695916_100020667443 [0,1,0,0,1,0|1,0,1]=4 593 B11R0.118 CCC(SCC(=O)N)C(=O)OC 62a_100000235869_100000747473 [0,1,0,0,1,0|2,0,0]=4 594 B11R0.118 CCC(SCC(=O)N)C(=O)OC 62a_100000747473_100000235869 [0,1,0,0,1,0|2,0,0]=4 595 B11R0.118 CCC(SCC(=O)[O-])C(=O)OC 62a_100000235869_100020667443 [0,1,0,0,1,0|1,0,1]=4 596 B11R0.118 CCC(SCC(=O)[O-])C(=O)OC 62a_100020667443_100000235869 [0,1,0,0,1,0|1,0,1]=4 597 B11R0.118 CCN(CCC(=O)N)C(=O)CO 240690a_100020645749_100000210174 [0,1,0,0,1,0|2,0,0]=4 598 B11R0.118 CCN(CCC(=O)N)C(=O)CO 527a_100020645749_100000210174 [0,1,0,0,1,0|2,0,0]=4 599 B11R0.146 CCC[C@H](NCC(=O)N)C(=O)O 269956a_100000750406_100000187820 [0,1,0,0,1,0|2,0,0]=4 600 B11R0.146 CCC[C@H](NCC(=O)[O-])C(=O)O 269956a_100000750406_100020667443 [0,1,0,0,1,0|1,0,1]=4 601 B11R0.146 CCN[C@@H](CCC(=O)N)C(=O)N 2230a_200000143477_100000210202 [0,1,0,0,1,0|2,0,0]=4 602 B11R0.146 CCN[C@@H](CCC(=O)N)C(=O)N 34a_200000143477_100000210202 [0,1,0,0,1,0|2,0,0]=4 603 B11R0.146 CCN[C@@H](CCS(=O)C)C(=O)O 269956a_100015235763_100000210202 [0,1,0,0,1,0|2,0,0]=4 604 B11R0.146 COC[C@@H](NCC(=O)N)C(=O)O 269956a_100011998655_100000187820 [0,1,0,0,1,0|2,0,0]=4 605 B11R0.146 COC[C@@H](NCC(=O)[O-])C(=O)O 269956a_100011998655_100020667443 [0,1,0,0,1,0|1,0,1]=4 606 B11R0.146 CSC[C@H](NCC(=O)N)C(=O)O 269956a_100011421858_100000187820 [0,1,0,0,1,0|2,0,0]=4 607 B11R0.146 CSC[C@H](NCC(=O)[O-])C(=O)O 269956a_100011421858_100020667443 [0,1,0,0,1,0|1,0,1]=4 608 B11R0.146 C[Se]C[C@H](NCC(=O)N)C(=O)O 269956a_100015254316_100000187820 [0,1,0,0,1,0|2,0,0]=4 609 B11R0.146 C[Se]C[C@H](NCC(=O)[O-])C(=O)O 269956a_100015254316_100020667443 [0,1,0,0,1,0|1,0,1]=4 610 B11R0.275 CCC(N[C@@H](C)C(=O)O)C(=O)N 269956a_100000743915_200011216081 [0,1,0,0,1,0|2,0,0]=4 611 B11R0.275 CC[C@@H](NC(C)C(=O)C)C(=O)O 269956a_100000747097_100009814033 [0,1,0,0,1,0|2,0,0]=4 612 B11R0.282 CCC(C(=O)N)N(C)CC(=O)O 269956a_100000746989_200011216081 [0,1,0,0,1,0|2,0,0]=4 613 B11R0.371 CCC(C)(NCC(=O)N)C(=O)O 269956a_100025756313_100000187820 [0,1,0,0,1,0|2,0,0]=4 614 B11R0.371 CCC(C)(NCC(=O)[O-])C(=O)O 269956a_100025756313_100020667443 [0,1,0,0,1,0|1,0,1]=4 615 B13R0.329 CCCC(OCCCC(=O)C)C(=O)N 34a_100011626294_100000685027 [0,1,0,0,0,1|2,0,0]=4 616 B13R0.329 CCCC(OCCCC(=O)C)C(=O)N 7a_100011626294_100011215641 [0,1,0,0,0,1|2,0,0]=4 617 B13R0.329 CCCC(OCCCC(=O)N)C(=O)N 34a_100011626294_100102525003 [0,1,0,0,0,1|2,0,0]=4 618 B13R0.329 CCCC(OCCCC(=O)N)C(=O)N 7a_100011626294_100102525003 [0,1,0,0,0,1|2,0,0]=4 619 B13R0.329 CCC[C@H](NCCCC(=O)C)C(=O)N 34a_100000729256_100000685027 [0,1,0,0,0,1|2,0,0]=4 620 B13R0.329 CCC[C@H](NCCCC(=O)C)C(=O)O 269956a_100000750406_100011215641 [0,1,0,0,0,1|1,0,0]=3 621 B13R0.329 CCC[C@H](NCCCC(=O)N)C(=O)N 34a_100000729256_100102525003 [0,1,0,0,0,1|2,0,0]=4 622 B13R0.329 CCC[C@H](NCCCC(=O)N)C(=O)O 269956a_100000750406_100102525003 [0,1,0,0,0,1|1,0,0]=3 623 B13R0.329 CCC[C@H](NCCCC(C)O)C(=O)O 269956a_100000750406_200000718107 [0,1,0,0,0,1|1,0,1]=4 624 B13R0.329 CCC[C@H](NCCNC(=O)C)C(=O)O 269956a_100000750406_100000189650 [0,1,0,0,0,1|2,0,0]=4 625 B13R0.329 CCC[C@H](NCCNC(=O)N)C(=O)O 269956a_100000750406_200000034859 [0,1,0,0,0,1|2,0,0]=4 626 B13R0.329 CCC[C@H](NCCOC(=O)C)C(=O)O 269956a_100000750406_100009814007 [0,1,0,0,0,1|2,0,0]=4 627 B13R0.329 COC[C@@H](NCCCC(=O)C)C(=O)O 269956a_100011998655_100011215641 [0,1,0,0,0,1|1,0,0]=3 628 B13R0.329 COC[C@@H](NCCCC(=O)N)C(=O)O 269956a_100011998655_100102525003 [0,1,0,0,0,1|1,0,0]=3 629 B13R0.329 COC[C@@H](NCCCC(C)O)C(=O)O 269956a_100011998655_200000718107 [0,1,0,0,0,1|1,0,1]=4 630 B13R0.329 COC[C@@H](NCCNC(=O)C)C(=O)O 269956a_100011998655_100000189650 [0,1,0,0,0,1|2,0,0]=4 631 B13R0.329 COC[C@@H](NCCNC(=O)N)C(=O)O 269956a_100011998655_200000034859 [0,1,0,0,0,1|2,0,0]=4 632 B13R0.329 COC[C@@H](NCCOC(=O)C)C(=O)O 269956a_100011998655_100009814007 [0,1,0,0,0,1|2,0,0]=4 633 B13R0.329 CSC[C@H](NCCCC(=O)C)C(=O)O 269956a_100011421858_100011215641 [0,1,0,0,0,1|1,0,0]=3 634 B13R0.329 CSC[C@H](NCCCC(=O)N)C(=O)O 269956a_100011421858_100102525003 [0,1,0,0,0,1|1,0,0]=3 635 B13R0.329 CSC[C@H](NCCCC(C)O)C(=O)O 269956a_100011421858_200000718107 [0,1,0,0,0,1|1,0,1]=4 636 B13R0.329 CSC[C@H](NCCNC(=O)C)C(=O)O 269956a_100011421858_100000189650 [0,1,0,0,0,1|2,0,0]=4 637 B13R0.329 CSC[C@H](NCCNC(=O)N)C(=O)O 269956a_100011421858_200000034859 [0,1,0,0,0,1|2,0,0]=4 638 B13R0.329 CSC[C@H](NCCOC(=O)C)C(=O)O 269956a_100011421858_100009814007 [0,1,0,0,0,1|2,0,0]=4 639 B13R0.329 C[Se]C[C@H](NCCCC(=O)C)C(=O)O 269956a_100015254316_100011215641 [0,1,0,0,0,1|1,0,0]=3 640 B13R0.329 C[Se]C[C@H](NCCCC(=O)N)C(=O)O 269956a_100015254316_100102525003 [0,1,0,0,0,1|1,0,0]=3 641 B13R0.329 C[Se]C[C@H](NCCCC(C)O)C(=O)O 269956a_100015254316_200000718107 [0,1,0,0,0,1|1,0,1]=4 642 B13R0.329 C[Se]C[C@H](NCCNC(=O)C)C(=O)O 269956a_100015254316_100000189650 [0,1,0,0,0,1|2,0,0]=4 643 B13R0.329 C[Se]C[C@H](NCCNC(=O)N)C(=O)O 269956a_100015254316_200000034859 [0,1,0,0,0,1|2,0,0]=4 644 B13R0.329 C[Se]C[C@H](NCCOC(=O)C)C(=O)O 269956a_100015254316_100009814007 [0,1,0,0,0,1|2,0,0]=4 645 B13R0.441 CC(=O)CCCNC(C(=O)O)C(C)O 269956a_100000185852_100011215641 [0,1,0,0,0,1|1,0,0]=3 646 B13R0.441 CC(=O)CCCN[C@@H](C(=O)O)C(C)C 269956a_100000745019_100011215641 [0,1,0,0,0,1|1,0,0]=3 647 B13R0.441 CC(=O)CCCOC(C(=O)N)C(C)C 34a_100000759063_100000230017 [0,1,0,0,0,1|2,0,0]=4 648 B13R0.441 CC(=O)CCCOC(C(=O)N)C(C)C 7a_100000759063_100000230017 [0,1,0,0,0,1|2,0,0]=4 649 B13R0.441 CC(=O)CCCSC(C(=O)N)C(C)C 62a_100000230017_100011215641 [0,1,0,0,0,1|2,0,0]=4 650 B13R0.441 CC(=O)CCCSC(C(=O)N)C(C)C 62a_100011215641_100000230017 [0,1,0,0,0,1|2,0,0]=4 651 B13R0.441 CC(=O)NCCNC(C(=O)O)C(C)O 269956a_100000185852_100000189650 [0,1,0,0,0,1|2,0,0]=4 652 B13R0.441 CC(=O)NCCN[C@@H](C(=O)O)C(C)C 269956a_100000745019_100000189650 [0,1,0,0,0,1|2,0,0]=4 653 B13R0.441 CC(=O)OCCNC(C(=O)O)C(C)O 269956a_100000185852_100009814007 [0,1,0,0,0,1|2,0,0]=4 654 B13R0.441 CC(=O)OCCN[C@@H](C(=O)O)C(C)C 269956a_100000745019_100009814007 [0,1,0,0,0,1|2,0,0]=4 655 B13R0.441 CC(C)C(NCCCC(=O)N)C(=O)N 34a_100000739312_100000230017 [0,1,0,0,0,1|2,0,0]=4 656 B13R0.441 CC(C)C(SCCCC(=O)N)C(=O)N 62a_100000230017_100102525003 [0,1,0,0,0,1|2,0,0]=4 657 B13R0.441 CC(C)C(SCCCC(=O)N)C(=O)N 62a_100102525003_100000230017 [0,1,0,0,0,1|2,0,0]=4 658 B13R0.441 CC(C)[C@@H](NCCCC(=O)N)C(=O)O 269956a_100000745019_100102525003 [0,1,0,0,0,1|1,0,0]=3 659 B13R0.441 CC(C)[C@@H](NCCNC(=O)N)C(=O)O 269956a_100000745019_200000034859 [0,1,0,0,0,1|2,0,0]=4 660 B13R0.441 CC(O)C(NCCCC(=O)N)C(=O)O 269956a_100000185852_100102525003 [0,1,0,0,0,1|1,0,0]=3 661 B13R0.441 CC(O)C(NCCNC(=O)N)C(=O)O 269956a_100000185852_200000034859 [0,1,0,0,0,1|2,0,0]=4 662 B13R0.441 CC(O)CCCNC(C(=O)O)C(C)O 269956a_100000185852_200000718107 [0,1,0,0,0,1|1,0,1]=4 663 B13R0.441 CC(O)CCCN[C@@H](C(=O)O)C(C)C 269956a_100000745019_200000718107 [0,1,0,0,0,1|1,0,1]=4 664 B13R0.925 CCC(=O)C(CC)OCCCC(=O)C 34a_200011218131_100000685027 [0,1,0,0,0,1|2,0,0]=4 665 B13R0.925 CCC(=O)C(CC)OCCCC(=O)C 7a_200011218131_100011215641 [0,1,0,0,0,1|2,0,0]=4 666 B13R0.925 CCC(=O)C(CC)OCCCC(=O)N 34a_200011218131_100102525003 [0,1,0,0,0,1|2,0,0]=4 667 B13R0.925 CCC(=O)C(CC)OCCCC(=O)N 7a_200011218131_100102525003 [0,1,0,0,0,1|2,0,0]=4 668 B13R0.925 CCC(NCCCC(=O)N)C(=O)OC 34a_100000739312_100000235869 [0,1,0,0,0,1|1,0,0]=3 669 B13R0.925 CCC(NCCCS(=O)C)C(=O)OC 2230a_200000753449_100000235869 [0,1,0,0,0,1|2,0,0]=4 670 B13R0.925 CCC(NCCNC(=O)C)C(=O)OC 2230a_100000209853_100000235869 [0,1,0,0,0,1|2,0,0]=4 671 B13R0.925 CCC(NCCNC(=O)N)C(=O)OC 34a_100020590234_100000235869 [0,1,0,0,0,1|2,0,0]=4 672 B13R0.925 CCC(OCCCC(=O)C)C(=O)OC 34a_100000695916_100000685027 [0,1,0,0,0,1|1,0,0]=3 673 B13R0.925 CCC(OCCCC(=O)C)C(=O)OC 34a_100000759063_100000235869 [0,1,0,0,0,1|1,0,0]=3 674 B13R0.925 CCC(OCCCC(=O)C)C(=O)OC 7a_100000695916_100011215641 [0,1,0,0,0,1|1,0,0]=3 675 B13R0.925 CCC(OCCCC(=O)C)C(=O)OC 7a_100000759063_100000742303 [0,1,0,0,0,1|1,0,0]=3 676 B13R0.925 CCC(OCCCC(=O)N)C(=O)OC 34a_100000695916_100102525003 [0,1,0,0,0,1|1,0,0]=3 677 B13R0.925 CCC(OCCCC(=O)N)C(=O)OC 7a_100000695916_100102525003 [0,1,0,0,0,1|1,0,0]=3 678 B13R0.925 CCC(OCCCC(C)O)C(=O)OC 34a_100000695916_200000718107 [0,1,0,0,0,1|1,0,1]=4 679 B13R0.925 CCC(OCCCC(C)O)C(=O)OC 7a_100000695916_200000718107 [0,1,0,0,0,1|1,0,1]=4 680 B13R0.925 CCC(OCCC[N+](=O)[O-])C(=O)OC 34a_200000037920_100000235869 [0,1,0,0,0,1|1,0,1]=4 681 B13R0.925 CCC(OCCNC(=O)C)C(=O)OC 34a_100000158858_100000235869 [0,1,0,0,0,1|2,0,0]=4 682 B13R0.925 CCC(OCCNC(=O)C)C(=O)OC 7a_100000695916_100000189650 [0,1,0,0,0,1|2,0,0]=4 683 B13R0.925 CCC(OCCNC(=O)N)C(=O)OC 34a_100000181757_100000235869 [0,1,0,0,0,1|2,0,0]=4 684 B13R0.925 CCC(OCCNC(=O)N)C(=O)OC 7a_100000695916_200000034859 [0,1,0,0,0,1|2,0,0]=4 685 B13R0.925 CCC(OCCOC(=O)C)C(=O)OC 34a_100000695916_100009814007 [0,1,0,0,0,1|2,0,0]=4 686 B13R0.925 CCC(OCCOC(=O)C)C(=O)OC 7a_100000695916_100009814007 [0,1,0,0,0,1|2,0,0]=4 687 B13R0.925 CCC(OCCOC(=O)N)C(=O)OC 34a_100000695916_200011214921 [0,1,0,0,0,1|2,0,0]=4 688 B13R0.925 CCC(OCCOC(=O)N)C(=O)OC 7a_100000695916_200011214921 [0,1,0,0,0,1|2,0,0]=4 689 B13R0.925 CCC(OCCOC(=O)N)C(=O)OC 7a_100000766696_100000742303 [0,1,0,0,0,1|2,0,0]=4 690 B13R0.925 CCC(SCCCC(=O)C)C(=O)OC 62a_100000235869_100011215641 [0,1,0,0,0,1|1,0,0]=3 691 B13R0.925 CCC(SCCCC(=O)C)C(=O)OC 62a_100011215641_100000235869 [0,1,0,0,0,1|1,0,0]=3 692 B13R0.925 CCC(SCCCC(=O)N)C(=O)OC 62a_100000235869_100102525003 [0,1,0,0,0,1|1,0,0]=3 693 B13R0.925 CCC(SCCCC(=O)N)C(=O)OC 62a_100102525003_100000235869 [0,1,0,0,0,1|1,0,0]=3 694 B13R0.925 CCC(SCCCC(C)O)C(=O)OC 62a_100000235869_200000718107 [0,1,0,0,0,1|1,0,1]=4 695 B13R0.925 CCC(SCCCC(C)O)C(=O)OC 62a_200000718107_100000235869 [0,1,0,0,0,1|1,0,1]=4 696 B13R0.925 CCC(SCCNC(=O)C)C(=O)OC 62a_100000189650_100000235869 [0,1,0,0,0,1|2,0,0]=4 697 B13R0.925 CCC(SCCNC(=O)C)C(=O)OC 62a_100000235869_100000189650 [0,1,0,0,0,1|2,0,0]=4 698 B13R0.925 CCC(SCCNC(=O)N)C(=O)OC 62a_100000235869_200000034859 [0,1,0,0,0,1|2,0,0]=4 699 B13R0.925 CCC(SCCNC(=O)N)C(=O)OC 62a_200000034859_100000235869 [0,1,0,0,0,1|2,0,0]=4 700 B13R0.925 CCC(SCCOC(=O)C)C(=O)OC 62a_100000235869_100009814007 [0,1,0,0,0,1|2,0,0]=4 701 B13R0.925 CCC(SCCOC(=O)C)C(=O)OC 62a_100009814007_100000235869 [0,1,0,0,0,1|2,0,0]=4 702 B13R0.925 CCC(SCCOC(=O)N)C(=O)OC 62a_100000235869_200011214921 [0,1,0,0,0,1|2,0,0]=4 703 B13R0.925 CCC(SCCOC(=O)N)C(=O)OC 62a_200011214921_100000235869 [0,1,0,0,0,1|2,0,0]=4 704 B13R0.925 CC[C@H](NCCCC(=O)C)C(=O)NC 34a_106657271573_100000685027 [0,1,0,0,0,1|2,0,0]=4 705 B13R0.925 CC[C@H](NCCCC(=O)N)C(=O)NC 34a_106657271573_100102525003 [0,1,0,0,0,1|2,0,0]=4 706 B13R0.925 COC(=O)C(CN)OCCCC(=O)C 34a_100000695228_100000685027 [0,1,0,0,0,1|2,0,0]=4 707 B13R0.925 COC(=O)C(CN)OCCCC(=O)N 34a_100000695228_100102525003 [0,1,0,0,0,1|2,0,0]=4 708 B13R0.925 COC(=O)C(CO)NCCCC(=O)N 34a_100000739312_100012276630 [0,1,0,0,0,1|2,0,0]=4 709 B13R0.925 COC(=O)C(CO)OCCCC(=O)C 34a_100000759063_100012276630 [0,1,0,0,0,1|2,0,0]=4 710 B13R0.925 COC(=O)C(CO)SCCCC(=O)C 62a_100011215641_100012276630 [0,1,0,0,0,1|2,0,0]=4 711 B13R0.925 COC(=O)C(CO)SCCCC(=O)C 62a_100012276630_100011215641 [0,1,0,0,0,1|2,0,0]=4 712 B13R0.925 COC(=O)C(CO)SCCCC(=O)N 62a_100012276630_100102525003 [0,1,0,0,0,1|2,0,0]=4 713 B13R0.925 COC(=O)C(CO)SCCCC(=O)N 62a_100102525003_100012276630 [0,1,0,0,0,1|2,0,0]=4 714 B13R0.925 COC(=O)C(NCCCC(=O)N)OC 34a_100000739312_100000101307 [0,1,0,0,0,1|2,0,0]=4 715 B13R0.925 COC(=O)C(OC)OCCCC(=O)C 34a_100000036821_100000685027 [0,1,0,0,0,1|2,0,0]=4 716 B13R0.925 COC(=O)C(OC)OCCCC(=O)C 34a_100000759063_100000101307 [0,1,0,0,0,1|2,0,0]=4 717 B13R0.925 COC(=O)C(OC)OCCCC(=O)N 34a_100000036821_100102525003 [0,1,0,0,0,1|2,0,0]=4 718 B13R0.925 COC(=O)C(OC)SCCCC(=O)C 62a_100000101307_100011215641 [0,1,0,0,0,1|2,0,0]=4 719 B13R0.925 COC(=O)C(OC)SCCCC(=O)C 62a_100011215641_100000101307 [0,1,0,0,0,1|2,0,0]=4 720 B13R0.925 COC(=O)C(OC)SCCCC(=O)N 62a_100000101307_100102525003 [0,1,0,0,0,1|2,0,0]=4 721 B13R0.925 COC(=O)C(OC)SCCCC(=O)N 62a_100102525003_100000101307 [0,1,0,0,0,1|2,0,0]=4 722 B13R0.1173 CCC(NCC(O)CC(=O)O)C(=O)N 269956a_100011218706_200011216081 [0,1,0,0,0,1|1,0,0]=3 723 B13R0.1218 CC(=O)CCCN(C)[C@@H](CO)C(=O)O 269956a_100015362447_100011215641 [0,1,0,0,0,1|2,0,0]=4 724 B13R0.1218 CCC(C(=O)N)N(C)CCCC(=O)O 269956a_100000719178_200011216081 [0,1,0,0,0,1|1,0,0]=3 725 B13R0.1218 CC[C@@H](C(=O)N)N(C)CCCC(=O)C 269982a_103436537554_100011215641 [0,1,0,0,0,1|2,0,0]=4 726 B13R0.1218 CC[C@@H](C(=O)N)N(C)CCCC(=O)N 269982a_103436537554_100102525003 [0,1,0,0,0,1|2,0,0]=4 727 B13R0.1218 CN(CCCC(=O)N)[C@@H](CO)C(=O)O 269956a_100015362447_100102525003 [0,1,0,0,0,1|2,0,0]=4 728 B13R0.1247 C=C[C@H](NCCCC(=O)OC)C(=O)O 269956a_100016992060_100011218270 [0,1,0,0,0,1|0,0,2]=4 729 B13R0.1247 CCC(NCCCC(=O)NC)C(=O)N 2230a_100000733705_100000741757 [0,1,0,0,0,1|2,0,0]=4 730 B13R0.1247 CCC(NCCCC(=O)NC)C(=O)N 2230a_100000740002_100000750255 [0,1,0,0,0,1|2,0,0]=4 731 B13R0.1247 CCC(NCCCC(=O)NC)C(=O)N 34a_100000733705_100000741757 [0,1,0,0,0,1|2,0,0]=4 732 B13R0.1247 CCC(NCCCC(=O)NC)C(=O)N 34a_100000740002_100000750255 [0,1,0,0,0,1|2,0,0]=4 733 B13R0.1247 CCC(NCCCC(=O)OC)C(=O)N 2230a_100000733705_100011218270 [0,1,0,0,0,1|1,0,0]=3 734 B13R0.1247 CCC(NCCCC(=O)OC)C(=O)N 34a_100000733705_100000742333 [0,1,0,0,0,1|1,0,0]=3 735 B13R0.1247 CCC(OCCCC(=O)NN)C(=O)N 34a_100000211488_100000750255 [0,1,0,0,0,1|2,0,0]=4 736 B13R0.1247 CCC(OCCNC(=O)OC)C(=O)N 34a_100000757965_100000750255 [0,1,0,0,0,1|2,0,0]=4 737 B13R0.1247 CCC(OCCOC(=O)OC)C(=O)N 34a_100010262106_100000750255 [0,1,0,0,0,1|2,0,0]=4 738 B13R0.1247 CCC(SCCCC(=O)NC)C(=O)N 62a_100000741757_100000750255 [0,1,0,0,0,1|2,0,0]=4 739 B13R0.1247 CCC(SCCCC(=O)NC)C(=O)N 62a_100000750255_100000741757 [0,1,0,0,0,1|2,0,0]=4 740 B13R0.1247 CCC(SCCCC(=O)OC)C(=O)N 62a_100000750255_100011218270 [0,1,0,0,0,1|1,0,0]=3 741 B13R0.1247 CCC(SCCCC(=O)OC)C(=O)N 62a_100011218270_100000750255 [0,1,0,0,0,1|1,0,0]=3 742 B13R0.1247 CC[C@@H](NCCCC(=O)NC)C(=O)O 269956a_100000747097_100000741757 [0,1,0,0,0,1|1,0,0]=3 743 B13R0.1247 CC[C@@H](NCCCC(=O)OC)C(=O)O 269956a_100000747097_100011218270 [0,1,0,0,0,1|0,0,0]=2 744 B13R0.1247 CC[C@H](NCCCC(=O)OC)[C@@H](C)O 2230a_100161114882_100011218270 [0,1,0,0,0,1|1,0,1]=4 745 B13R0.1247 CC[C@H](NCCCC(=O)OC)[C@@H](C)O 34a_100161114882_100000742333 [0,1,0,0,0,1|1,0,1]=4 746 B13R0.1247 CNC(=O)CCCNC(CO)C(=O)O 269956a_100000187304_100000741757 [0,1,0,0,0,1|2,0,0]=4 747 B13R0.1247 COC(=O)CCCNC(CO)C(=O)O 269956a_100000187304_100011218270 [0,1,0,0,0,1|1,0,0]=3 748 B13R0.1247 COC(=O)CCCN[C@@H](CO)C(=O)N 2230a_100000729942_100011218270 [0,1,0,0,0,1|2,0,0]=4 749 B13R0.1247 COC(=O)CCCN[C@@H](CO)C(=O)N 34a_100000729942_100000742333 [0,1,0,0,0,1|2,0,0]=4 750 B13R0.1267 CCC(C)(NCCCC(=O)C)C(=O)O 269956a_100025756313_100011215641 [0,1,0,0,0,1|1,0,0]=3 751 B13R0.1267 CCC(C)(NCCCC(=O)N)C(=O)O 269956a_100025756313_100102525003 [0,1,0,0,0,1|1,0,0]=3 752 B13R0.1267 CCC(C)(NCCCC(C)O)C(=O)O 269956a_100025756313_200000718107 [0,1,0,0,0,1|1,0,1]=4 753 B13R0.1267 CCC(C)(NCCNC(=O)C)C(=O)O 269956a_100025756313_100000189650 [0,1,0,0,0,1|2,0,0]=4 754 B13R0.1267 CCC(C)(NCCNC(=O)N)C(=O)O 269956a_100025756313_200000034859 [0,1,0,0,0,1|2,0,0]=4 755 B13R0.1267 CCC(C)(NCCOC(=O)C)C(=O)O 269956a_100025756313_100009814007 [0,1,0,0,0,1|2,0,0]=4 756 B13R0.1296 CC[C@@H](NCCCC(C)(C)O)C(=O)O 269956a_100000747097_100009888830 [0,1,0,0,0,1|1,0,1]=4 757 B13R0.1296 CC[C@@H](NCCCS(=O)(=O)C)C(=O)O 269956a_100000747097_100000754308 [0,1,0,0,0,1|1,0,1]=4 758 B13R0.1296 CC[C@@H](NCCCS(=O)(=O)N)C(=O)O 269956a_100000747097_100000750626 [0,1,0,0,0,1|1,0,1]=4 759 B13R0.1296 CC[C@@H](NCCCS(=O)(=O)[O-])C(=O)O 269956a_100000747097_100009813499 [0,1,0,0,0,1|1,0,1]=4 760 B13R0.207 CC[C@@H](CC(=O)OC)OCCC(=O)C 7a_200015357724_100000053229 [0,1,0,0,0,1|2,0,0]=4 761 B13R0.207 CC[C@@H](CC(=O)OC)OCCC(=O)N 7a_200015357724_100000744528 [0,1,0,0,0,1|2,0,0]=4 762 B13R0.443 CC(=O)CCNC(CC(=O)O)C(C)C 269956a_100000695669_100000053229 [0,1,0,0,0,1|2,0,0]=4 763 B13R0.443 CC(C)C(CC(=O)O)NCCC(=O)N 269956a_100000695669_100000744528 [0,1,0,0,0,1|2,0,0]=4 764 B13R0.631 CC(=O)CCCN(CCO)CC(=O)O 269956a_100000747938_100011215641 [0,1,0,0,0,1|2,0,0]=4 765 B13R0.631 NC(=O)CCCN(CCO)CC(=O)O 269956a_100000747938_100102525003 [0,1,0,0,0,1|2,0,0]=4 766 B13R0.1248 CCN(CCCC(=O)NC)CC(=O)O 269956a_100000746405_100000741757 [0,1,0,0,0,1|2,0,0]=4 767 B13R0.1248 CCN(CCCC(=O)OC)CC(=O)O 269956a_100000746405_100011218270 [0,1,0,0,0,1|1,0,0]=3 768 B13R0.1248 CC[C@H](CC(=O)O)NCCC(=O)NC 269956a_100016995926_100000737683 [0,1,0,0,0,1|2,0,0]=4 769 B13R0.1248 CC[C@H](CC(=O)O)NCCC(=O)OC 269956a_100016995926_100000204255 [0,1,0,0,0,1|1,0,0]=3 770 B13R0.1248 COC(=O)CCN[C@H](CO)CC(=O)O 269956a_100009816507_100000204255 [0,1,0,0,0,1|2,0,0]=4 771 B13R0.428 CNC(=O)CCNC(C(=O)O)C(C)O 269956a_100000185852_100000737683 [0,2,0,0,0,0|2,0,0]=4 772 B13R0.428 CNC(=O)CCN[C@@H](C(=O)O)C(C)C 269956a_100000745019_100000737683 [0,2,0,0,0,0|2,0,0]=4 773 B13R0.428 COC(=O)CCNC(C(=O)O)C(C)O 269956a_100000185852_100000204255 [0,2,0,0,0,0|1,0,0]=3 774 B13R0.428 COC(=O)CCN[C@@H](C(=O)O)C(C)C 269956a_100000745019_100000204255 [0,2,0,0,0,0|1,0,0]=3 775 B13R0.428 COC(=O)CCN[C@H](C(=O)N)[C@@H](C)O 2230a_100000003557_100000204255 [0,2,0,0,0,0|2,0,0]=4 776 B13R0.428 COC(=O)CCSC(C(=O)N)C(C)C 62a_100000204255_100000230017 [0,2,0,0,0,0|2,0,0]=4 777 B13R0.428 COC(=O)CCSC(C(=O)N)C(C)C 62a_100000230017_100000204255 [0,2,0,0,0,0|2,0,0]=4 778 B13R0.616 CC(=O)CCN(C)[C@H](C(=O)O)C(C)C 269956a_100015941355_100000053229 [0,2,0,0,0,0|2,0,0]=4 779 B13R0.616 CC(C)[C@@H](C(=O)O)N(C)CCC(=O)N 269956a_100015941355_100000744528 [0,2,0,0,0,0|2,0,0]=4 780 B13R0.886 CC[C@H](C)[C@@H](NCCC(=O)C)C(=O)O 269956a_100009815163_100000053229 [0,2,0,0,0,0|2,0,0]=4 781 B13R0.886 CC[C@H](C)[C@@H](NCCC(=O)N)C(=O)O 269956a_100009815163_100000744528 [0,2,0,0,0,0|2,0,0]=4 782 B13R0.886 COC(=O)C(OCCC(=O)C)C(C)C 34a_100000759926_100000736125 [0,2,0,0,0,0|2,0,0]=4 783 B13R0.886 COC(=O)C(OCCC(=O)C)C(C)C 7a_100000759926_100000736125 [0,2,0,0,0,0|2,0,0]=4 784 B13R0.886 COC(=O)C(OCCC(=O)N)C(C)C 34a_100000757172_100000736125 [0,2,0,0,0,0|2,0,0]=4 785 B13R0.886 COC(=O)C(OCCC(=O)N)C(C)C 7a_100000757172_100000736125 [0,2,0,0,0,0|2,0,0]=4 786 B13R0.886 COC(=O)C(SCCC(=O)C)C(C)C 62a_100000053229_100000736125 [0,2,0,0,0,0|2,0,0]=4 787 B13R0.886 COC(=O)C(SCCC(=O)C)C(C)C 62a_100000736125_100000053229 [0,2,0,0,0,0|2,0,0]=4 788 B13R0.886 COC(=O)C(SCCC(=O)N)C(C)C 62a_100000736125_100000744528 [0,2,0,0,0,0|2,0,0]=4 789 B13R0.886 COC(=O)C(SCCC(=O)N)C(C)C 62a_100000744528_100000736125 [0,2,0,0,0,0|2,0,0]=4 790 B13R0.886 COC(=O)[C@H](OCCC(=O)C)C(C)C 7a_100009883636_100000053229 [0,2,0,0,0,0|2,0,0]=4 791 B13R0.886 COC(=O)[C@H](OCCC(=O)N)C(C)C 34a_100009883636_100000731001 [0,2,0,0,0,0|2,0,0]=4 792 B13R0.886 COC(=O)[C@H](OCCC(=O)N)C(C)C 7a_100009883636_100000744528 [0,2,0,0,0,0|2,0,0]=4 793 B13R0.886 CO[C@H](C)[C@H](NCCC(=O)C)C(=O)O 269956a_100015335849_100000053229 [0,2,0,0,0,0|2,0,0]=4 794 B13R0.886 CO[C@H](C)[C@H](NCCC(=O)N)C(=O)O 269956a_100015335849_100000744528 [0,2,0,0,0,0|2,0,0]=4 795 B13R0.1414 CC(=O)CCN[C@@H](C(=O)O)C(C)(C)C 269956a_100000753415_100000053229 [0,2,0,0,0,0|2,0,0]=4 796 B13R0.1414 CC(=O)CCN[C@@H](C(=O)O)C(C)(C)O 269956a_100015421311_100000053229 [0,2,0,0,0,0|2,0,0]=4 797 B13R0.1414 CC(C)(C)[C@@H](NCCC(=O)N)C(=O)O 269956a_100000753415_100000744528 [0,2,0,0,0,0|2,0,0]=4 798 B13R0.1414 CC(C)(O)[C@@H](NCCC(=O)N)C(=O)O 269956a_100015421311_100000744528 [0,2,0,0,0,0|2,0,0]=4 799 B13R0.94 CCOC(=O)C(CC)OCCC(=O)C 34a_100000759926_100000212269 [0,2,0,0,0,0|2,0,0]=4 800 B13R0.94 CCOC(=O)C(CC)OCCC(=O)C 7a_100000759926_100000212269 [0,2,0,0,0,0|2,0,0]=4 801 B13R0.94 CCOC(=O)C(CC)OCCC(=O)C 7a_100011216719_100000053229 [0,2,0,0,0,0|2,0,0]=4 802 B13R0.94 CCOC(=O)C(CC)OCCC(=O)N 34a_100000757172_100000212269 [0,2,0,0,0,0|2,0,0]=4 803 B13R0.94 CCOC(=O)C(CC)OCCC(=O)N 34a_100011216719_100000731001 [0,2,0,0,0,0|2,0,0]=4 804 B13R0.94 CCOC(=O)C(CC)OCCC(=O)N 7a_100000757172_100000212269 [0,2,0,0,0,0|2,0,0]=4 805 B13R0.94 CCOC(=O)C(CC)OCCC(=O)N 7a_100011216719_100000744528 [0,2,0,0,0,0|2,0,0]=4 806 B13R0.94 CCOC(=O)C(CC)SCCC(=O)C 62a_100000053229_100000212269 [0,2,0,0,0,0|2,0,0]=4 807 B13R0.94 CCOC(=O)C(CC)SCCC(=O)C 62a_100000212269_100000053229 [0,2,0,0,0,0|2,0,0]=4 808 B13R0.94 CCOC(=O)C(CC)SCCC(=O)N 62a_100000212269_100000744528 [0,2,0,0,0,0|2,0,0]=4 809 B13R0.94 CCOC(=O)C(CC)SCCC(=O)N 62a_100000744528_100000212269 [0,2,0,0,0,0|2,0,0]=4 810 B13R0.270 CCC(C(=O)CCC(=O)N)C(=O)OC 1458a_100011215257_100000235869 [0,2,0,0,0,0|1,0,1]=4 811 B13R0.270 CCC(C(=O)OC)N(C)CCC(=O)C 269982a_100000709176_100000053229 [0,2,0,0,0,0|2,0,0]=4 812 B13R0.270 CCC(C(=O)OC)N(C)CCC(=O)N 2230a_100000709176_100000744528 [0,2,0,0,0,0|2,0,0]=4 813 B13R0.270 CCC(C(=O)OC)N(C)CCC(=O)N 2230a_100000730477_100000235869 [0,2,0,0,0,0|2,0,0]=4 814 B13R0.270 CCC(C(=O)OC)N(C)CCC(=O)N 269982a_100000709176_100000744528 [0,2,0,0,0,0|2,0,0]=4 815 B13R0.709 CCCC(OCCC(=O)C)C(=O)OC 34a_100000759926_200009843822 [0,2,0,0,0,0|2,0,0]=4 816 B13R0.709 CCCC(OCCC(=O)C)C(=O)OC 7a_100000759926_200009843822 [0,2,0,0,0,0|2,0,0]=4 817 B13R0.709 CCCC(OCCC(=O)N)C(=O)OC 34a_100000757172_200009843822 [0,2,0,0,0,0|2,0,0]=4 818 B13R0.709 CCCC(OCCC(=O)N)C(=O)OC 7a_100000757172_200009843822 [0,2,0,0,0,0|2,0,0]=4 819 B13R0.709 CCCC(SCCC(=O)C)C(=O)OC 62a_100000053229_200009843822 [0,2,0,0,0,0|2,0,0]=4 820 B13R0.709 CCCC(SCCC(=O)C)C(=O)OC 62a_200009843822_100000053229 [0,2,0,0,0,0|2,0,0]=4 821 B13R0.709 CCCC(SCCC(=O)N)C(=O)OC 62a_100000744528_200009843822 [0,2,0,0,0,0|2,0,0]=4 822 B13R0.709 CCCC(SCCC(=O)N)C(=O)OC 62a_200009843822_100000744528 [0,2,0,0,0,0|2,0,0]=4 823 B13R0.709 COCC(OCCC(=O)C)C(=O)OC 34a_100000759926_100000717350 [0,2,0,0,0,0|2,0,0]=4 824 B13R0.709 COCC(OCCC(=O)N)C(=O)OC 34a_100000757172_100000717350 [0,2,0,0,0,0|2,0,0]=4 825 B13R0.709 COCC(SCCC(=O)C)C(=O)OC 62a_100000053229_100000717350 [0,2,0,0,0,0|2,0,0]=4 826 B13R0.709 COCC(SCCC(=O)C)C(=O)OC 62a_100000717350_100000053229 [0,2,0,0,0,0|2,0,0]=4 827 B13R0.709 COCC(SCCC(=O)N)C(=O)OC 62a_100000717350_100000744528 [0,2,0,0,0,0|2,0,0]=4 828 B13R0.709 COCC(SCCC(=O)N)C(=O)OC 62a_100000744528_100000717350 [0,2,0,0,0,0|2,0,0]=4 829 B13R0.924 CCC(OCC(C)C(=O)C)C(=O)OC 34a_100000032740_100000235869 [0,2,0,0,0,0|2,0,0]=4 830 B13R0.924 CCC(OCC(C)C(=O)C)C(=O)OC 7a_100000032740_100000742303 [0,2,0,0,0,0|2,0,0]=4 831 B13R0.924 CCC(OC[C@H](N)C(=O)N)C(=O)OC 34a_100000729942_100000235869 [0,2,0,0,0,0|2,0,0]=4 832 B13R0.1246 CCC(=O)C(CC)OCCC(=O)OC 34a_200011218131_100000742370 [0,2,0,0,0,0|2,0,0]=4 833 B13R0.1246 CCC(=O)C(CC)OCCC(=O)OC 7a_200011218131_100000204255 [0,2,0,0,0,0|2,0,0]=4 834 B13R0.1246 CCC(NCCC(=O)NC)C(=O)OC 2230a_100000738227_100000235869 [0,2,0,0,0,0|2,0,0]=4 835 B13R0.1246 CCC(NCCC(=O)NC)C(=O)OC 34a_100000738227_100000235869 [0,2,0,0,0,0|2,0,0]=4 836 B13R0.1246 CCC(OCCC(=NO)N)C(=O)OC 34a_100000749954_100000235869 [0,2,0,0,0,0|2,0,0]=4 837 B13R0.1246 CCC(OCCC(=O)NC)C(=O)OC 34a_100000695916_100012179268 [0,2,0,0,0,0|2,0,0]=4 838 B13R0.1246 CCC(OCCC(=O)NC)C(=O)OC 34a_100000754576_100000235869 [0,2,0,0,0,0|2,0,0]=4 839 B13R0.1246 CCC(OCCC(=O)NC)C(=O)OC 7a_100000695916_100000737683 [0,2,0,0,0,0|2,0,0]=4 840 B13R0.1246 CCC(OCCC(=O)OC)C(=O)OC 34a_100000695916_100000742370 [0,2,0,0,0,0|1,0,0]=3 841 B13R0.1246 CCC(OCCC(=O)OC)C(=O)OC 7a_100000695916_100000204255 [0,2,0,0,0,0|1,0,0]=3 842 B13R0.1246 CCC(SCCC(=O)NC)C(=O)OC 62a_100000235869_100000737683 [0,2,0,0,0,0|2,0,0]=4 843 B13R0.1246 CCC(SCCC(=O)NC)C(=O)OC 62a_100000737683_100000235869 [0,2,0,0,0,0|2,0,0]=4 844 B13R0.1246 CCC(SCCC(=O)OC)C(=O)OC 62a_100000204255_100000235869 [0,2,0,0,0,0|1,0,0]=3 845 B13R0.1246 CCC(SCCC(=O)OC)C(=O)OC 62a_100000235869_100000204255 [0,2,0,0,0,0|1,0,0]=3 846 B13R0.1246 CCC(SCOC(=O)OC)C(=O)OC 62a_100000235869_100000139417 [0,2,0,0,0,0|2,0,0]=4 847 B13R0.1246 CC[C@H](NCCC(=O)OC)C(=O)NC 2230a_106657271573_100000204255 [0,2,0,0,0,0|2,0,0]=4 848 B13R0.1246 CC[C@H](NCCC(=O)OC)C(=O)NC 34a_106657271573_100000742370 [0,2,0,0,0,0|2,0,0]=4 849 B13R0.1246 COC(=O)CCOC(CN)C(=O)OC 34a_100000695228_100000742370 [0,2,0,0,0,0|2,0,0]=4 850 B13R0.1246 COC(=O)CCOC(OC)C(=O)OC 34a_100000036821_100000742370 [0,2,0,0,0,0|2,0,0]=4 851 B13R0.1246 COC(=O)CCSC(CO)C(=O)OC 62a_100000204255_100012276630 [0,2,0,0,0,0|2,0,0]=4 852 B13R0.1246 COC(=O)CCSC(CO)C(=O)OC 62a_100012276630_100000204255 [0,2,0,0,0,0|2,0,0]=4 853 B13R0.1246 COC(=O)CCSC(OC)C(=O)OC 62a_100000101307_100000204255 [0,2,0,0,0,0|2,0,0]=4 854 B13R0.1246 COC(=O)CCSC(OC)C(=O)OC 62a_100000204255_100000101307 [0,2,0,0,0,0|2,0,0]=4 855 B13R0.69 CCC(NC(C)CC(=O)OC)C(=O)N 2230a_100000733705_100009817358 [0,2,0,0,0,0|2,0,0]=4 856 B13R0.69 CCC(NC(C)CC(=O)OC)C(=O)N 34a_100000733705_100009817358 [0,2,0,0,0,0|2,0,0]=4 857 B13R0.69 CCC(SC(C)CC(=O)OC)C(=O)N 62a_100000750255_100009817358 [0,2,0,0,0,0|2,0,0]=4 858 B13R0.69 CCC(SC(C)CC(=O)OC)C(=O)N 62a_100009817358_100000750255 [0,2,0,0,0,0|2,0,0]=4 859 B13R0.69 CC[C@@H](NC(C)CC(=O)OC)C(=O)O 269956a_100000747097_100009817358 [0,2,0,0,0,0|1,0,0]=3 860 B13R0.69 COC(=O)CC(C)NC(CO)C(=O)O 269956a_100000187304_100009817358 [0,2,0,0,0,0|2,0,0]=4 861 B13R0.359 CCNC(=O)CCN[C@H](CC)C(=O)O 269956a_100000747097_100000737597 [0,2,0,0,0,0|2,0,0]=4 862 B13R0.359 CCOC(=O)CCNC(CC)C(=O)N 2230a_100000733705_100011206558 [0,2,0,0,0,0|2,0,0]=4 863 B13R0.359 CCOC(=O)CCNC(CC)C(=O)N 34a_100000733705_100000765890 [0,2,0,0,0,0|2,0,0]=4 864 B13R0.359 CCOC(=O)CCNC(CO)C(=O)O 269956a_100000187304_100000765890 [0,2,0,0,0,0|2,0,0]=4 865 B13R0.359 CCOC(=O)CCN[C@H](CC)C(=O)O 269956a_100000747097_100000765890 [0,2,0,0,0,0|1,0,0]=3 866 B13R0.359 CCOC(=O)CCSC(CC)C(=O)N 62a_100000750255_100000765890 [0,2,0,0,0,0|2,0,0]=4 867 B13R0.359 CCOC(=O)CCSC(CC)C(=O)N 62a_100000765890_100000750255 [0,2,0,0,0,0|2,0,0]=4 868 B13R0.366 CCCC(OCCC(=O)OC)C(=O)N 34a_100011626294_100000742370 [0,2,0,0,0,0|2,0,0]=4 869 B13R0.366 CCCC(OCCC(=O)OC)C(=O)N 7a_100011626294_100000204255 [0,2,0,0,0,0|2,0,0]=4 870 B13R0.366 CCC[C@H](NCCC(=O)NC)C(=O)O 269956a_100000750406_100000737683 [0,2,0,0,0,0|2,0,0]=4 871 B13R0.366 CCC[C@H](NCCC(=O)OC)C(=O)N 2230a_100000729256_100000204255 [0,2,0,0,0,0|2,0,0]=4 872 B13R0.366 CCC[C@H](NCCC(=O)OC)C(=O)N 34a_100000729256_100000742370 [0,2,0,0,0,0|2,0,0]=4 873 B13R0.366 CCC[C@H](NCCC(=O)OC)C(=O)O 269956a_100000750406_100000204255 [0,2,0,0,0,0|1,0,0]=3 874 B13R0.366 CNC(=O)CCN[C@@H](CSC)C(=O)O 269956a_100011421858_100000737683 [0,2,0,0,0,0|2,0,0]=4 875 B13R0.366 CNC(=O)CCN[C@@H](C[Se]C)C(=O)O 269956a_100015254316_100000737683 [0,2,0,0,0,0|2,0,0]=4 876 B13R0.366 CNC(=O)CCN[C@H](COC)C(=O)O 269956a_100011998655_100000737683 [0,2,0,0,0,0|2,0,0]=4 877 B13R0.366 COC(=O)CCN[C@@H](CSC)C(=O)O 269956a_100011421858_100000204255 [0,2,0,0,0,0|1,0,0]=3 878 B13R0.366 COC(=O)CCN[C@@H](C[Se]C)C(=O)O 269956a_100015254316_100000204255 [0,2,0,0,0,0|1,0,0]=3 879 B13R0.366 COC[C@@H](NCCC(=O)OC)C(=O)O 269956a_100011998655_100000204255 [0,2,0,0,0,0|1,0,0]=3 880 B13R0.489 CCC(NCC(C)C(=O)OC)C(=O)N 34a_100000733705_100000698445 [0,2,0,0,0,0|2,0,0]=4 881 B13R0.489 CCC(OCC(C)C(=O)OC)C(=O)N 34a_100000749362_100000750255 [0,2,0,0,0,0|2,0,0]=4 882 B13R0.489 CCC(OCC(C)C(=O)OC)C(=O)N 7a_100000749362_100000750255 [0,2,0,0,0,0|2,0,0]=4 883 B13R0.489 CCC(OCC(F)C(=O)OC)C(=O)N 34a_200009849844_100000750255 [0,2,0,0,0,0|2,0,0]=4 884 B13R0.489 CCC(OC[C@@H](N)C(=O)OC)C(=O)N 34a_100000003586_100000750255 [0,2,0,0,0,0|2,0,0]=4 885 B13R0.489 CCC(SCC(C)C(=O)OC)C(=O)N 62a_100000698445_100000750255 [0,2,0,0,0,0|2,0,0]=4 886 B13R0.489 CCC(SCC(C)C(=O)OC)C(=O)N 62a_100000750255_100000698445 [0,2,0,0,0,0|2,0,0]=4 887 B13R0.832 CCC(C(=O)N)C(=O)CCC(=O)OC 1458a_100000187943_100000750255 [0,2,0,0,0,0|1,0,1]=4 888 B13R0.832 CCC(C(=O)N)N(C)CCC(=O)OC 269982a_100025711912_100000750255 [0,2,0,0,0,0|2,0,0]=4 889 B13R0.832 CC[C@@H](C(=O)N)N(C)CCC(=O)OC 2230a_103436537554_100000204255 [0,2,0,0,0,0|2,0,0]=4 890 B13R0.832 CC[C@@H](C(=O)N)N(C)CCC(=O)OC 269982a_103436537554_100000204255 [0,2,0,0,0,0|2,0,0]=4 891 B13R0.832 COC(=O)CCN(C)[C@@H](CO)C(=O)O 269956a_100015362447_100000204255 [0,2,0,0,0,0|2,0,0]=4 892 B13R0.1576 CCC(C)(NCCC(=O)NC)C(=O)O 269956a_100025756313_100000737683 [0,2,0,0,0,0|2,0,0]=4 893 B13R0.1576 CCC(C)(NCCC(=O)OC)C(=O)O 269956a_100025756313_100000204255 [0,2,0,0,0,0|1,0,0]=3 894 B13R0.1298 CSCC[C@H](NCCC(=O)C)C(=O)O 269956a_100000743919_100000053229 [0,2,0,0,0,0|2,0,0]=4 895 B13R0.1298 CSCC[C@H](NCCC(=O)N)C(=O)O 269956a_100000743919_100000744528 [0,2,0,0,0,0|2,0,0]=4 896 B13R0.1298 C[Se]CC[C@H](NCCC(=O)C)C(=O)O 269956a_100020619752_100000053229 [0,2,0,0,0,0|2,0,0]=4 897 B13R0.1298 C[Se]CC[C@H](NCCC(=O)N)C(=O)O 269956a_100020619752_100000744528 [0,2,0,0,0,0|2,0,0]=4 898 B13R0.1390 CCC(NC(C)(C)CC(=O)O)C(=O)N 269956a_100000755897_200011216081 [0,2,0,0,0,0|2,0,0]=4 899 B13R0.1869 CCC(N[C@H](CC)CC(=O)O)C(=O)N 269956a_100016995926_200011216081 [0,2,0,0,0,0|2,0,0]=4 900 B13R0.1869 CCC(N[C@H](CO)CC(=O)O)C(=O)N 269956a_100009816507_200011216081 [0,2,0,0,0,0|2,0,0]=4 901 B13R0.1389 CCC(NCC(C)(C)C(=O)O)C(=O)N 269956a_100000693527_200011216081 [0,2,0,0,0,0|2,0,0]=4 902 B13R0.1389 CCC(NCC(F)(F)C(=O)O)C(=O)N 269956a_100000734215_200011216081 [0,2,0,0,0,0|2,0,0]=4 903 B13R0.578 CCC(CC)(NCCC(=O)C)C(=O)O 269956a_100000727939_100000053229 [0,2,0,0,0,0|2,0,0]=4 904 B13R0.578 CCC(CC)(NCCC(=O)N)C(=O)O 269956a_100000727939_100000744528 [0,2,0,0,0,0|2,0,0]=4 905 B11R1.3 CC(=O)C1CCC(CC1)CO 1458a_100011217856_200000210301 [1,0,0,1,0,0|1,0,1]=4 906 B11R1.3 CN[C@H]1CC[C@H](CC1)C(=O)O 269956a_100009815960_200000210301 [1,0,0,1,0,0|2,0,0]=4 907 B11R1.3 [13CH3]C(=O)C1CCC(CC1)CO 1458a_100011217856_200025704644 [1,0,0,1,0,0|1,0,1]=4 908 B11R1.3 [13CH3]N[C@H]1CC[C@H](CC1)C(=O)O 269956a_100009815960_200025704644 [1,0,0,1,0,0|2,0,0]=4 909 B11R1.161 CC(=O)CCOC1CCC1=O 34a_100000759926_100009892977 [1,0,0,1,0,0|2,0,0]=4 910 B11R1.161 CC(=O)CCOC1CCC1=O 7a_100000759926_100009892977 [1,0,0,1,0,0|2,0,0]=4 911 B11R1.161 CC(=O)CCSC1CCC1=O 62a_100000053229_100009892977 [1,0,0,1,0,0|2,0,0]=4 912 B11R1.161 CC(=O)CCSC1CCC1=O 62a_100009892977_100000053229 [1,0,0,1,0,0|2,0,0]=4 913 B11R1.161 NC(=O)CCOC1CCC1=O 34a_100000757172_100009892977 [1,0,0,1,0,0|2,0,0]=4 914 B11R1.161 NC(=O)CCOC1CCC1=O 7a_100000757172_100009892977 [1,0,0,1,0,0|2,0,0]=4 915 B11R1.161 NC(=O)CCSC1CCC1=O 62a_100000744528_100009892977 [1,0,0,1,0,0|2,0,0]=4 916 B11R1.161 NC(=O)CCSC1CCC1=O 62a_100009892977_100000744528 [1,0,0,1,0,0|2,0,0]=4 917 B11R1.161 O=C(O)CONC1CCC1=O 269956a_100000106656_100009892977 [1,0,0,1,0,0|2,0,0]=4 918 B11R1.172 O=C(O)CNCC1CCOC1 269956a_100016091260_100011261433 [1,0,0,1,0,0|1,0,1]=4 919 B11R1.407 CCC1(CO1)CNCC(=O)O 269956a_100016091260_200000139556 [1,0,0,1,0,0|1,0,1]=4 920 B11R1.124 NC(=O)C1CCN(C1)CC=O 2230a_100000752358_200015260668 [1,0,0,1,0,0|2,0,0]=4 921 B11R1.124 NC(=O)C1CCN(C1)CC=O 269982a_100000752358_200015260668 [1,0,0,1,0,0|2,0,0]=4 922 B11R1.124 NC(=O)C1CCN(C1)CC=O 34a_100000752358_200009817547 [1,0,0,1,0,0|2,0,0]=4 923 B11R1.180 C=CCCNC1CCOC1=O 2230a_100015191253_100000211211 [1,0,0,1,0,0|2,0,0]=4 924 B11R1.180 C=CCCOC1CCOC1=O 34a_100011205117_100000211211 [1,0,0,1,0,0|2,0,0]=4 925 B11R1.180 C=CCCSC1CCOC1=O 62a_100000211211_100000754431 [1,0,0,1,0,0|2,0,0]=4 926 B11R1.180 C=CCCSC1CCOC1=O 62a_100000754431_100000211211 [1,0,0,1,0,0|2,0,0]=4 927 B11R1.180 O=C1OCCC1SCCCO 62a_100000211211_100011215043 [1,0,0,1,0,0|1,0,1]=4 928 B11R1.180 O=C1OCCC1SCCCO 62a_100011215043_100000211211 [1,0,0,1,0,0|1,0,1]=4 929 B11R1.180 O=CCOCC1CCNC1=O 34a_100000133458_200009817547 [1,0,0,1,0,0|2,0,0]=4 930 B11R1.204 C=CCCN1CCC1C(=O)O 269956a_100000021838_100000754431 [1,0,0,1,0,0|2,0,0]=4 931 B11R1.204 O=C(O)C1CCN1CCCO 269956a_100000021838_100011215043 [1,0,0,1,0,0|1,0,1]=4 932 B11R1.565 CN1CCCC(CC1)C(=O)O 269956a_100000134118_200000210301 [1,0,0,1,0,0|2,0,0]=4 933 B11R1.565 [13CH3]N1CCCC(CC1)C(=O)O 269956a_100000134118_200025704644 [1,0,0,1,0,0|2,0,0]=4 934 B11R1.706 CC(=O)C1CC/C=C\CCC1 1458a_100000070787_100021000466 [1,0,0,1,0,0|2,0,0]=4 935 B11R1.991 C=CCCNC1(CC1)C(=O)O 269956a_100000746478_100000754431 [1,0,0,1,0,0|2,0,0]=4 936 B11R1.991 C=CCNCC1(CC1)C(=O)O 269956a_100000703410_100000210623 [1,0,0,1,0,0|2,0,0]=4 937 B11R1.991 NC(=O)C1(CC1)COCC=O 34a_100000117830_200009817547 [1,0,0,1,0,0|2,0,0]=4 938 B11R1.991 NC(=O)C1(CC1)COCC=O 7a_100000117830_200015260668 [1,0,0,1,0,0|2,0,0]=4 939 B11R1.991 O=C(O)C1(CC1)CNCCO 269956a_100000703410_100000211926 [1,0,0,1,0,0|1,0,1]=4 940 B11R1.991 O=C(O)C1(CC1)NCCCO 269956a_100000746478_100011215043 [1,0,0,1,0,0|1,0,1]=4 941 B11R1.991 O=CCNCC1(CC1)C(=O)O 269956a_100000703410_200015260668 [1,0,0,1,0,0|1,0,0]=3 942 B11R1.1017 CC[C@@H](NCC1CO1)C(=O)O 269956a_100000747097_102125554688 [1,0,0,1,0,0|1,0,1]=4 943 B11R1.1017 CC[C@@H](NC[C@@H]1CO1)C(=O)O 269956a_100000747097_100000745022 [1,0,0,1,0,0|1,0,1]=4 944 B11R1.1064 CCC1(CCCN1C)C(=O)O 269956a_100000695297_200000210301 [1,0,0,1,0,0|2,0,0]=4 945 B11R1.1064 CCC1(CCCN1[13CH3])C(=O)O 269956a_100000695297_200025704644 [1,0,0,1,0,0|2,0,0]=4 946 B11R1.153 C[C@H](NC1CC(=O)C1)C(=O)O 269956a_100000743915_100009894365 [1,0,0,1,0,0|2,0,0]=4 947 B11R1.90 CC(=O)CCC1CCOC1=O 1458a_100000117037_200000210301 [0,0,0,1,1,0|1,0,0]=3 948 B11R1.90 CC(=O)CCN1CCOC1=O 1458a_100000744634_200000210301 [0,0,0,1,1,0|2,0,0]=4 949 B11R1.90 CC(=O)COC1CCOC1=O 34a_100000211253_100000211211 [0,0,0,1,1,0|2,0,0]=4 950 B11R1.90 NC(=O)CNC1CCOC1=O 2230a_100000711301_100000211211 [0,0,0,1,1,0|2,0,0]=4 951 B11R1.90 NC(=O)CSC1CCOC1=O 62a_100000211211_100000747473 [0,0,0,1,1,0|2,0,0]=4 952 B11R1.90 NC(=O)CSC1CCOC1=O 62a_100000747473_100000211211 [0,0,0,1,1,0|2,0,0]=4 953 B11R1.90 O=C(O)CNC1CCCC1=O 269956a_100016091260_100000211823 [0,0,0,1,1,0|2,0,0]=4 954 B11R1.90 O=C([O-])CSC1CCOC1=O 62a_100000211211_100020667443 [0,0,0,1,1,0|1,0,1]=4 955 B11R1.90 O=C([O-])CSC1CCOC1=O 62a_100020667443_100000211211 [0,0,0,1,1,0|1,0,1]=4 956 B11R1.90 [13CH3]C(=O)CCC1CCOC1=O 1458a_100000117037_200025704644 [0,0,0,1,1,0|1,0,0]=3 957 B11R1.90 [13CH3]C(=O)CCN1CCOC1=O 1458a_100000744634_200025704644 [0,0,0,1,1,0|2,0,0]=4 958 B11R1.708 NC(=O)CN1CCC1C(=O)O 269956a_100000021838_100000187820 [0,0,0,1,1,0|2,0,0]=4 959 B11R1.708 O=C([O-])CN1CCC1C(=O)O 269956a_100000021838_100020667443 [0,0,0,1,1,0|1,0,1]=4 960 B11R1.1391 CC(=O)C1(CC1)NCC(=O)O 269956a_100016091260_100000086384 [0,0,0,1,1,0|2,0,0]=4 961 B11R1.1391 NC(=O)CNC1(CC1)C(=O)O 269956a_100000746478_100000187820 [0,0,0,1,1,0|2,0,0]=4 962 B11R1.1391 O=C([O-])CNC1(CC1)C(=O)O 269956a_100000746478_100020667443 [0,0,0,1,1,0|1,0,1]=4 963 B13R1.167 CC(=O)CCCNC1CCNC1=O 34a_100016995588_100000685027 [0,0,0,1,0,1|2,0,0]=4 964 B13R1.167 CC(=O)CCCOC1CCCC1=O 34a_100000759063_100000709159 [0,0,0,1,0,1|2,0,0]=4 965 B13R1.167 CC(=O)CCCOC1CCCC1=O 34a_200000719330_100000685027 [0,0,0,1,0,1|2,0,0]=4 966 B13R1.167 CC(=O)CCCOC1CCCC1=O 7a_100000759063_100000211823 [0,0,0,1,0,1|2,0,0]=4 967 B13R1.167 CC(=O)CCCOC1CCOC1=O 34a_100000759063_100000211211 [0,0,0,1,0,1|1,0,0]=3 968 B13R1.167 CC(=O)CCCOC1CCOC1=O 7a_100000759063_100000211211 [0,0,0,1,0,1|1,0,0]=3 969 B13R1.167 CC(=O)CCCO[C@H]1CCNC1=O 34a_100000688343_100000685027 [0,0,0,1,0,1|2,0,0]=4 970 B13R1.167 CC(=O)CCCSC1CCCC1=O 62a_100000211823_100011215641 [0,0,0,1,0,1|2,0,0]=4 971 B13R1.167 CC(=O)CCCSC1CCCC1=O 62a_100011215641_100000211823 [0,0,0,1,0,1|2,0,0]=4 972 B13R1.167 CC(=O)CCCSC1CCOC1=O 62a_100000211211_100011215641 [0,0,0,1,0,1|1,0,0]=3 973 B13R1.167 CC(=O)CCCSC1CCOC1=O 62a_100011215641_100000211211 [0,0,0,1,0,1|1,0,0]=3 974 B13R1.167 CC(=O)NCCNC1CCOC1=O 2230a_100000209853_100000211211 [0,0,0,1,0,1|2,0,0]=4 975 B13R1.167 CC(=O)NCCOC1CCOC1=O 34a_100000158858_100000211211 [0,0,0,1,0,1|2,0,0]=4 976 B13R1.167 CC(=O)NCCSC1CCOC1=O 62a_100000189650_100000211211 [0,0,0,1,0,1|2,0,0]=4 977 B13R1.167 CC(=O)NCCSC1CCOC1=O 62a_100000211211_100000189650 [0,0,0,1,0,1|2,0,0]=4 978 B13R1.167 CC(=O)OCCSC1CCOC1=O 62a_100000211211_100009814007 [0,0,0,1,0,1|2,0,0]=4 979 B13R1.167 CC(=O)OCCSC1CCOC1=O 62a_100009814007_100000211211 [0,0,0,1,0,1|2,0,0]=4 980 B13R1.167 CC(O)CCCSC1CCOC1=O 62a_100000211211_200000718107 [0,0,0,1,0,1|1,0,1]=4 981 B13R1.167 CC(O)CCCSC1CCOC1=O 62a_200000718107_100000211211 [0,0,0,1,0,1|1,0,1]=4 982 B13R1.167 CS(=O)CCCNC1CCOC1=O 2230a_200000753449_100000211211 [0,0,0,1,0,1|2,0,0]=4 983 B13R1.167 NC(=O)CCCNC1CCCC1=O 34a_100000739312_100000709159 [0,0,0,1,0,1|2,0,0]=4 984 B13R1.167 NC(=O)CCCNC1CCNC1=O 34a_100016995588_100102525003 [0,0,0,1,0,1|2,0,0]=4 985 B13R1.167 NC(=O)CCCNC1CCOC1=O 34a_100000739312_100000211211 [0,0,0,1,0,1|1,0,0]=3 986 B13R1.167 NC(=O)CCCOC1CCCC1=O 34a_200000719330_100102525003 [0,0,0,1,0,1|2,0,0]=4 987 B13R1.167 NC(=O)CCCO[C@H]1CCNC1=O 34a_100000688343_100102525003 [0,0,0,1,0,1|2,0,0]=4 988 B13R1.167 NC(=O)CCCSC1CCCC1=O 62a_100000211823_100102525003 [0,0,0,1,0,1|2,0,0]=4 989 B13R1.167 NC(=O)CCCSC1CCCC1=O 62a_100102525003_100000211823 [0,0,0,1,0,1|2,0,0]=4 990 B13R1.167 NC(=O)CCCSC1CCOC1=O 62a_100000211211_100102525003 [0,0,0,1,0,1|1,0,0]=3 991 B13R1.167 NC(=O)CCCSC1CCOC1=O 62a_100102525003_100000211211 [0,0,0,1,0,1|1,0,0]=3 992 B13R1.167 NC(=O)CCOCC1CCNC1=O 34a_100000133458_100000731001 [0,0,0,1,0,1|2,0,0]=4 993 B13R1.167 NC(=O)NCCNC1CCOC1=O 34a_100020590234_100000211211 [0,0,0,1,0,1|2,0,0]=4 994 B13R1.167 NC(=O)NCCOC1CCOC1=O 34a_100000181757_100000211211 [0,0,0,1,0,1|2,0,0]=4 995 B13R1.167 NC(=O)NCCSC1CCOC1=O 62a_100000211211_200000034859 [0,0,0,1,0,1|2,0,0]=4 996 B13R1.167 NC(=O)NCCSC1CCOC1=O 62a_200000034859_100000211211 [0,0,0,1,0,1|2,0,0]=4 997 B13R1.167 NC(=O)OCCOC1CCOC1=O 7a_100000766696_100000211211 [0,0,0,1,0,1|2,0,0]=4 998 B13R1.167 NC(=O)OCCSC1CCOC1=O 62a_100000211211_200011214921 [0,0,0,1,0,1|2,0,0]=4 999 B13R1.167 NC(=O)OCCSC1CCOC1=O 62a_200011214921_100000211211 [0,0,0,1,0,1|2,0,0]=4 1000 B13R1.167 O=C(O)CNCCN1CCCC1=O 269956a_100016091260_100000739059 [0,0,0,1,0,1|2,0,0]=4 1001 B13R1.167 O=C(O)CNCCN1CCNC1=O 269956a_100016091260_100000090651 [0,0,0,1,0,1|2,0,0]=4 1002 B13R1.167 O=C1OCCC1OCCC[N+](=O)[O-] 34a_200000037920_100000211211 [0,0,0,1,0,1|1,0,1]=4 1003 B13R1.410 CCC(NC1COC(=O)O1)C(=O)N 34a_100000733705_100000032252 [0,0,0,1,0,1|2,0,0]=4 1004 B13R1.410 CCC(OC1CCC(=O)C1)C(=O)N 34a_100012614533_100000750255 [0,0,0,1,0,1|2,0,0]=4 1005 B13R1.410 CCC(SC1COC(=O)O1)C(=O)N 62a_100000750255_100000032252 [0,0,0,1,0,1|2,0,0]=4 1006 B13R1.585 C=C(C)CN1CCC(CC1)C(=O)O 269956a_100000210459_100000748629 [0,0,0,1,0,1|2,0,0]=4 1007 B13R1.585 C=C(F)CN1CCC(CC1)C(=O)O 269956a_100000210459_100000042424 [0,0,0,1,0,1|2,0,0]=4 1008 B13R1.585 CC(=O)C1CCN(CC1)CC(=O)N 1458a_200000238094_200000210301 [0,0,0,1,0,1|2,0,0]=4 1009 B13R1.585 CC(=O)CN1CCC(CC1)C(=O)N 1458a_100000754635_200000210301 [0,0,0,1,0,1|2,0,0]=4 1010 B13R1.585 CC(O)CN1CCC(CC1)C(=O)O 269956a_100000210459_100011218427 [0,0,0,1,0,1|1,0,1]=4 1011 B13R1.585 C[C@@H](O)CN1CCC(CC1)C(=O)O 269956a_100000210459_100009817552 [0,0,0,1,0,1|1,0,1]=4 1012 B13R1.585 NC(=O)C1CCN(CC1)CC(=O)[O-] 269982a_100000210938_100020667443 [0,0,0,1,0,1|1,0,1]=4 1013 B13R1.585 NC(=O)C1CCN(CC1)CC(=O)[O-] 34a_100000210938_100020667443 [0,0,0,1,0,1|1,0,1]=4 1014 B13R1.585 NC(=O)CN1CCC(CC1)C(=O)N 2230a_100000210938_100000747473 [0,0,0,1,0,1|2,0,0]=4 1015 B13R1.585 NC(=O)CN1CCC(CC1)C(=O)N 269982a_100000210938_100000187820 [0,0,0,1,0,1|2,0,0]=4 1016 B13R1.585 NC(=O)CN1CCC(CC1)C(=O)N 34a_100000210938_100000187820 [0,0,0,1,0,1|2,0,0]=4 1017 B13R1.585 NC(=O)CN1CCC(CC1)C(=O)O 269956a_100000210459_100000187820 [0,0,0,1,0,1|1,0,0]=3 1018 B13R1.585 O=C(O)C1CCN(CC1)C[N+](=O)[O-] 269956a_100000210459_100000761209 [0,0,0,1,0,1|1,0,1]=4 1019 B13R1.585 O=C([O-])CN1CCC(CC1)C(=O)O 269956a_100000210459_100020667443 [0,0,0,1,0,1|0,0,1]=3 1020 B13R1.585 [13CH3]C(=O)C1CCN(CC1)CC(=O)N 1458a_200000238094_200025704644 [0,0,0,1,0,1|2,0,0]=4 1021 B13R1.585 [13CH3]C(=O)CN1CCC(CC1)C(=O)N 1458a_100000754635_200025704644 [0,0,0,1,0,1|2,0,0]=4 1022 B13R1.1065 CC(=O)CCCN1CCC1C(=O)O 269956a_100000021838_100011215641 [0,0,0,1,0,1|1,0,0]=3 1023 B13R1.1065 CC(=O)NCCN1CCC1C(=O)O 269956a_100000021838_100000189650 [0,0,0,1,0,1|2,0,0]=4 1024 B13R1.1065 CC(=O)OCCN1CCC1C(=O)O 269956a_100000021838_100009814007 [0,0,0,1,0,1|2,0,0]=4 1025 B13R1.1065 CC(O)CCCN1CCC1C(=O)O 269956a_100000021838_200000718107 [0,0,0,1,0,1|1,0,1]=4 1026 B13R1.1065 NC(=O)CCCN1CCC1C(=O)O 269956a_100000021838_100102525003 [0,0,0,1,0,1|1,0,0]=3 1027 B13R1.1065 NC(=O)NCCN1CCC1C(=O)O 269956a_100000021838_200000034859 [0,0,0,1,0,1|2,0,0]=4 1028 B13R1.1985 C=C(C)CN[C@H]1CC[C@H](C1)C(=O)O 269956a_100015195206_100000748629 [0,0,0,1,0,1|2,0,0]=4 1029 B13R1.1985 C=C(F)CN[C@H]1CC[C@H](C1)C(=O)O 269956a_100015195206_100000042424 [0,0,0,1,0,1|2,0,0]=4 1030 B13R1.1985 CC(=O)CCN1CCC(C1)C(=O)N 269982a_100000752358_100000053229 [0,0,0,1,0,1|2,0,0]=4 1031 B13R1.1985 CC(O)CN[C@H]1CC[C@H](C1)C(=O)O 269956a_100015195206_100011218427 [0,0,0,1,0,1|1,0,1]=4 1032 B13R1.1985 C[C@@H](O)CN[C@H]1CC[C@H](C1)C(=O)O 269956a_100015195206_100009817552 [0,0,0,1,0,1|1,0,1]=4 1033 B13R1.1985 NC(=O)CCN1CCC(C1)C(=O)N 2230a_100000752358_100000744528 [0,0,0,1,0,1|2,0,0]=4 1034 B13R1.1985 NC(=O)CCN1CCC(C1)C(=O)N 269982a_100000752358_100000744528 [0,0,0,1,0,1|2,0,0]=4 1035 B13R1.1985 NC(=O)CCN1CCC(C1)C(=O)N 34a_100000752358_100000731001 [0,0,0,1,0,1|2,0,0]=4 1036 B13R1.1985 NC(=O)CN[C@H]1CC[C@H](C1)C(=O)O 269956a_100015195206_100000187820 [0,0,0,1,0,1|1,0,0]=3 1037 B13R1.1985 O=C(O)[C@@H]1CC[C@@H](C1)NC[N+](=O)[O-] 269956a_100015195206_100000761209 [0,0,0,1,0,1|1,0,1]=4 1038 B13R1.1985 O=C([O-])CN[C@H]1CC[C@H](C1)C(=O)O 269956a_100015195206_100020667443 [0,0,0,1,0,1|0,0,1]=3 1039 B13R1.2697 CCC(NCC1CC(=O)C1)C(=O)N 2230a_100000733705_100009874392 [0,0,0,1,0,1|2,0,0]=4 1040 B13R1.2697 CCC(OCC1CC(=O)C1)C(=O)N 34a_100000101936_100000750255 [0,0,0,1,0,1|2,0,0]=4 1041 B13R1.2697 CCC(SCC1CC(=O)C1)C(=O)N 62a_100000750255_100009874392 [0,0,0,1,0,1|2,0,0]=4 1042 B13R1.2697 CCC(SCC1CC(=O)C1)C(=O)N 62a_100009874392_100000750255 [0,0,0,1,0,1|2,0,0]=4 1043 B13R1.2697 CC[C@@H](NCC1CC(=O)C1)C(=O)O 269956a_100000747097_100009874392 [0,0,0,1,0,1|1,0,0]=3 1044 B13R1.2697 O=C1CC(C1)CNC(CO)C(=O)O 269956a_100000187304_100009874392 [0,0,0,1,0,1|2,0,0]=4 1045 B13R1.2698 CC[C@@H](NCCCC1CO1)C(=O)O 269956a_100000747097_100000733510 [0,0,0,1,0,1|1,0,1]=4 1046 B13R1.3033 CCC(C(=O)N)N1CCC1C(=O)O 269956a_100000021838_200011216081 [0,0,0,1,0,1|1,0,0]=3 1047 B13R1.8709 C=C(C)CCNCC1(CC1)C(=O)O 269956a_100000703410_100000730704 [0,0,0,1,0,1|2,0,0]=4 1048 B13R1.8709 C=C(C)CNCCC1(CC1)C(=O)O 269956a_100000690630_100000748629 [0,0,0,1,0,1|2,0,0]=4 1049 B13R1.8709 C=C(F)CNCCC1(CC1)C(=O)O 269956a_100000690630_100000042424 [0,0,0,1,0,1|2,0,0]=4 1050 B13R1.8709 CC(=O)C1(CC1)SCCCC(=O)N 62a_100000086384_100102525003 [0,0,0,1,0,1|2,0,0]=4 1051 B13R1.8709 CC(=O)C1(CC1)SCCCC(=O)N 62a_100102525003_100000086384 [0,0,0,1,0,1|2,0,0]=4 1052 B13R1.8709 CC(=O)CCCNC1(CC1)C(=O)O 269956a_100000746478_100011215641 [0,0,0,1,0,1|1,0,0]=3 1053 B13R1.8709 CC(=O)CCCOC1(CC1)C(=O)N 34a_100000759063_100010760883 [0,0,0,1,0,1|2,0,0]=4 1054 B13R1.8709 CC(=O)CCCOC1(CC1)C(=O)N 7a_100000759063_100010760883 [0,0,0,1,0,1|2,0,0]=4 1055 B13R1.8709 CC(=O)CCCSC1(CC1)C(=O)C 62a_100000086384_100011215641 [0,0,0,1,0,1|2,0,0]=4 1056 B13R1.8709 CC(=O)CCCSC1(CC1)C(=O)C 62a_100011215641_100000086384 [0,0,0,1,0,1|2,0,0]=4 1057 B13R1.8709 CC(=O)CCCSC1(CC1)C(=O)N 62a_100010760883_100011215641 [0,0,0,1,0,1|2,0,0]=4 1058 B13R1.8709 CC(=O)CCCSC1(CC1)C(=O)N 62a_100011215641_100010760883 [0,0,0,1,0,1|2,0,0]=4 1059 B13R1.8709 CC(=O)CCNCC1(CC1)C(=O)O 269956a_100000703410_100000053229 [0,0,0,1,0,1|1,0,0]=3 1060 B13R1.8709 CC(=O)CCOCC1(CC1)C(=O)N 7a_100000117830_100000053229 [0,0,0,1,0,1|2,0,0]=4 1061 B13R1.8709 CC(=O)NCCNC1(CC1)C(=O)O 269956a_100000746478_100000189650 [0,0,0,1,0,1|2,0,0]=4 1062 B13R1.8709 CC(=O)OCCNC1(CC1)C(=O)O 269956a_100000746478_100009814007 [0,0,0,1,0,1|2,0,0]=4 1063 B13R1.8709 CC(=O)OCNCC1(CC1)C(=O)O 269956a_100000703410_100000076356 [0,0,0,1,0,1|2,0,0]=4 1064 B13R1.8709 CC(O)CCCNC1(CC1)C(=O)O 269956a_100000746478_200000718107 [0,0,0,1,0,1|1,0,1]=4 1065 B13R1.8709 CC(O)CCNCC1(CC1)C(=O)O 269956a_100000703410_100012276601 [0,0,0,1,0,1|1,0,1]=4 1066 B13R1.8709 CC(O)CNCCC1(CC1)C(=O)O 269956a_100000690630_100011218427 [0,0,0,1,0,1|1,0,1]=4 1067 B13R1.8709 C[C@@H](O)CNCCC1(CC1)C(=O)O 269956a_100000690630_100009817552 [0,0,0,1,0,1|1,0,1]=4 1068 B13R1.8709 NC(=O)CCCNC1(CC1)C(=O)N 34a_100000739312_100010760883 [0,0,0,1,0,1|2,0,0]=4 1069 B13R1.8709 NC(=O)CCCNC1(CC1)C(=O)O 269956a_100000746478_100102525003 [0,0,0,1,0,1|1,0,0]=3 1070 B13R1.8709 NC(=O)CCCSC1(CC1)C(=O)N 62a_100010760883_100102525003 [0,0,0,1,0,1|2,0,0]=4 1071 B13R1.8709 NC(=O)CCCSC1(CC1)C(=O)N 62a_100102525003_100010760883 [0,0,0,1,0,1|2,0,0]=4 1072 B13R1.8709 NC(=O)CCNCC1(CC1)C(=O)O 269956a_100000703410_100000744528 [0,0,0,1,0,1|1,0,0]=3 1073 B13R1.8709 NC(=O)CCOCC1(CC1)C(=O)N 34a_100000117830_100000731001 [0,0,0,1,0,1|2,0,0]=4 1074 B13R1.8709 NC(=O)CCOCC1(CC1)C(=O)N 7a_100000117830_100000744528 [0,0,0,1,0,1|2,0,0]=4 1075 B13R1.8709 NC(=O)CNCCC1(CC1)C(=O)O 269956a_100000690630_100000187820 [0,0,0,1,0,1|1,0,0]=3 1076 B13R1.8709 NC(=O)NCCNC1(CC1)C(=O)O 269956a_100000746478_200000034859 [0,0,0,1,0,1|2,0,0]=4 1077 B13R1.8709 O=C(O)C1(CC1)CCNC[N+](=O)[O-] 269956a_100000690630_100000761209 [0,0,0,1,0,1|1,0,1]=4 1078 B13R1.8709 O=C([O-])CNCCC1(CC1)C(=O)O 269956a_100000690630_100020667443 [0,0,0,1,0,1|0,0,1]=3 1079 B13R1.583 NC(=O)CN1CCC(C1)CC(=O)O 269956a_100000719201_100000187820 [0,0,0,1,0,1|2,0,0]=4 1080 B13R1.583 O=C([O-])CN1CCC(C1)CC(=O)O 269956a_100000719201_100020667443 [0,0,0,1,0,1|1,0,1]=4 1081 B13R1.2743 CCN(CC(=O)O)CC1CC(=O)C1 269956a_100000746405_100009874392 [0,0,0,1,0,1|2,0,0]=4 1082 B13R1.2743 CC[C@H](CC(=O)O)NC1CC(=O)C1 269956a_100016995926_100009894365 [0,0,0,1,0,1|2,0,0]=4 1083 B13R1.5132 NC(=O)CNCC1(CC1)CC(=O)O 269956a_100020588786_100000187820 [0,0,0,1,0,1|2,0,0]=4 1084 B13R1.5132 O=C([O-])CNCC1(CC1)CC(=O)O 269956a_100020588786_100020667443 [0,0,0,1,0,1|1,0,1]=4 1085 B13R1.837 CC(C)[C@@H](NC1CC(=O)C1)C(=O)O 269956a_100000745019_100009894365 [0,1,0,1,0,0|2,0,0]=4 1086 B13R1.837 CC(O)C(NC1CC(=O)C1)C(=O)O 269956a_100000185852_100009894365 [0,1,0,1,0,0|2,0,0]=4 1087 B13R1.533 COC(=O)[C@@H]1CCN(C1)CC(=O)N 2230a_100016989057_100000747473 [0,1,0,1,0,0|2,0,0]=4 1088 B13R1.533 COC(=O)[C@@H]1CCN(C1)CC(=O)N 269982a_100016989057_100000187820 [0,1,0,1,0,0|2,0,0]=4 1089 B13R1.533 COC(=O)[C@@H]1CCN(C1)CC(=O)[O-] 269982a_100016989057_100020667443 [0,1,0,1,0,0|1,0,1]=4 1090 B13R1.533 COC(=O)[C@@H]1CC[C@@H](C1)CC(=O)C 1458a_100000070787_200159312670 [0,1,0,1,0,0|1,0,0]=3 1091 B13R1.533 COC(=O)[C@@H]1CC[C@@H](C1)NC(=O)C 188690a_100016994426_100015343762 [0,1,0,1,0,0|2,0,0]=4 1092 B13R1.537 COC(=O)C1CCN(CC1)C(=O)C 1626a_100000212072_100015343762 [0,1,0,1,0,0|2,0,0]=4 1093 B13R1.537 COC(=O)C1CCN(CC1)C(=O)C 240690a_100000212072_100015343762 [0,1,0,1,0,0|2,0,0]=4 1094 B13R1.537 COC(=O)C1CCN(CC1)C(=O)C 527a_100000212072_100103153847 [0,1,0,1,0,0|2,0,0]=4 1095 B13R1.537 COC(=O)N1CCC(CC1)C(=O)C 1458a_100000236020_200000210301 [0,1,0,1,0,0|2,0,0]=4 1096 B13R1.537 COC(=O)N1CCC(CC1)C(=O)[13CH3] 1458a_100000236020_200025704644 [0,1,0,1,0,0|2,0,0]=4 1097 B13R1.537 COC(=O)[C@H]1CC[C@@H](CC1)C(=O)C 1458a_100009820674_200000210301 [0,1,0,1,0,0|1,0,0]=3 1098 B13R1.537 COC(=O)[C@H]1CC[C@@H](CC1)C(=O)[13CH3] 1458a_100009820674_200025704644 [0,1,0,1,0,0|1,0,0]=3 1099 B13R1.537 NC(=O)C1CCN(CC1)C(=O)CO 240690a_100000210938_100000210174 [0,1,0,1,0,0|2,0,0]=4 1100 B13R1.537 NC(=O)C1CCN(CC1)C(=O)CO 527a_100000210938_100000210174 [0,1,0,1,0,0|2,0,0]=4 1101 B13R1.1726 CCC(SC1CC(=O)C1)C(=O)OC 62a_100009894365_100000235869 [0,1,0,1,0,0|2,0,0]=4 1102 B13R1.1803 COC(=O)[C@@H]1CCN1CCC(=O)C 269982a_102516456887_100000053229 [0,1,0,1,0,0|2,0,0]=4 1103 B13R1.1803 COC(=O)[C@@H]1CCN1CCC(=O)N 2230a_102516456887_100000744528 [0,1,0,1,0,0|2,0,0]=4 1104 B13R1.1803 COC(=O)[C@@H]1CCN1CCC(=O)N 269982a_102516456887_100000744528 [0,1,0,1,0,0|2,0,0]=4 1105 B13R1.1838 COC(=O)C1(CC1)COCC(=O)N 34a_100009885095_100000187820 [0,1,0,1,0,0|2,0,0]=4 1106 B13R1.1838 COC(=O)C1(CC1)COCC(=O)N 7a_100009885095_100000187820 [0,1,0,1,0,0|2,0,0]=4 1107 B13R1.1838 COC(=O)C1(CC1)COCC(=O)[O-] 34a_100009885095_100020667443 [0,1,0,1,0,0|1,0,1]=4 1108 B13R1.1838 COC(=O)C1(CC1)OCCC(=O)C 34a_100000759926_100000698272 [0,1,0,1,0,0|2,0,0]=4 1109 B13R1.1838 COC(=O)C1(CC1)OCCC(=O)C 7a_100000719341_100000053229 [0,1,0,1,0,0|2,0,0]=4 1110 B13R1.1838 COC(=O)C1(CC1)OCCC(=O)C 7a_100000759926_100000698272 [0,1,0,1,0,0|2,0,0]=4 1111 B13R1.1838 COC(=O)C1(CC1)OCCC(=O)N 34a_100000719341_100000731001 [0,1,0,1,0,0|2,0,0]=4 1112 B13R1.1838 COC(=O)C1(CC1)OCCC(=O)N 34a_100000757172_100000698272 [0,1,0,1,0,0|2,0,0]=4 1113 B13R1.1838 COC(=O)C1(CC1)OCCC(=O)N 7a_100000719341_100000744528 [0,1,0,1,0,0|2,0,0]=4 1114 B13R1.1838 COC(=O)C1(CC1)OCCC(=O)N 7a_100000757172_100000698272 [0,1,0,1,0,0|2,0,0]=4 1115 B13R1.1838 COC(=O)C1(CC1)SCCC(=O)C 62a_100000053229_100000698272 [0,1,0,1,0,0|2,0,0]=4 1116 B13R1.1838 COC(=O)C1(CC1)SCCC(=O)C 62a_100000698272_100000053229 [0,1,0,1,0,0|2,0,0]=4 1117 B13R1.1838 COC(=O)C1(CC1)SCCC(=O)N 62a_100000698272_100000744528 [0,1,0,1,0,0|2,0,0]=4 1118 B13R1.1838 COC(=O)C1(CC1)SCCC(=O)N 62a_100000744528_100000698272 [0,1,0,1,0,0|2,0,0]=4 1119 B13R1.599 CNC(=O)CCNC1CCOC1=O 2230a_100000738227_100000211211 [0,1,0,1,0,0|2,0,0]=4 1120 B13R1.599 CNC(=O)CCNC1CCOC1=O 34a_100000738227_100000211211 [0,1,0,1,0,0|2,0,0]=4 1121 B13R1.599 CNC(=O)CCOC1CCOC1=O 34a_100000754576_100000211211 [0,1,0,1,0,0|2,0,0]=4 1122 B13R1.599 CNC(=O)CCSC1CCOC1=O 62a_100000211211_100000737683 [0,1,0,1,0,0|2,0,0]=4 1123 B13R1.599 CNC(=O)CCSC1CCOC1=O 62a_100000737683_100000211211 [0,1,0,1,0,0|2,0,0]=4 1124 B13R1.599 COC(=O)CCNC1CCNC1=O 2230a_100016995588_100000204255 [0,1,0,1,0,0|2,0,0]=4 1125 B13R1.599 COC(=O)CCNC1CCNC1=O 34a_100016995588_100000742370 [0,1,0,1,0,0|2,0,0]=4 1126 B13R1.599 COC(=O)CCOC1CCCC1=O 34a_200000719330_100000742370 [0,1,0,1,0,0|2,0,0]=4 1127 B13R1.599 COC(=O)CCO[C@H]1CCNC1=O 34a_100000688343_100000742370 [0,1,0,1,0,0|2,0,0]=4 1128 B13R1.599 COC(=O)CCSC1CCCC1=O 62a_100000204255_100000211823 [0,1,0,1,0,0|2,0,0]=4 1129 B13R1.599 COC(=O)CCSC1CCCC1=O 62a_100000211823_100000204255 [0,1,0,1,0,0|2,0,0]=4 1130 B13R1.599 COC(=O)CCSC1CCOC1=O 62a_100000204255_100000211211 [0,1,0,1,0,0|1,0,0]=3 1131 B13R1.599 COC(=O)CCSC1CCOC1=O 62a_100000211211_100000204255 [0,1,0,1,0,0|1,0,0]=3 1132 B13R1.599 COC(=O)COCC1CCNC1=O 34a_100000133458_100000747449 [0,1,0,1,0,0|2,0,0]=4 1133 B13R1.599 COC(=O)OCSC1CCOC1=O 62a_100000211211_100000139417 [0,1,0,1,0,0|2,0,0]=4 1134 B13R1.599 NC(=NO)CCOC1CCOC1=O 34a_100000749954_100000211211 [0,1,0,1,0,0|2,0,0]=4 1135 B13R1.1706 COC(=O)CN1CCC(C1)C(=O)N 2230a_100000752358_100000747449 [0,1,0,1,0,0|2,0,0]=4 1136 B13R1.1706 COC(=O)CN1CCC(C1)C(=O)N 269982a_100000752358_100000747449 [0,1,0,1,0,0|2,0,0]=4 1137 B13R1.1706 COC(=O)CN1CCC(C1)C(=O)N 34a_100000752358_100000747449 [0,1,0,1,0,0|2,0,0]=4 1138 B13R1.1706 COC(=O)C[C@H]1CCN(C1)C(=O)C 11a_100020634416_100015343762 [0,1,0,1,0,0|2,0,0]=4 1139 B13R1.1706 COC(=O)C[C@H]1CCN(C1)C(=O)C 1626a_100020634416_100015343762 [0,1,0,1,0,0|2,0,0]=4 1140 B13R1.1706 COC(=O)C[C@H]1CCN(C1)C(=O)C 240690a_100020634416_100015343762 [0,1,0,1,0,0|2,0,0]=4 1141 B13R1.1706 COC(=O)C[C@H]1CCN(C1)C(=O)C 527a_100020634416_100103153847 [0,1,0,1,0,0|2,0,0]=4 1142 B13R1.1721 CNC(=O)CCN1CCC1C(=O)O 269956a_100000021838_100000737683 [0,1,0,1,0,0|2,0,0]=4 1143 B13R1.1721 COC(=O)CCN1CCC1C(=O)O 269956a_100000021838_100000204255 [0,1,0,1,0,0|1,0,0]=3 1144 B13R1.1795 CCC(C(=O)N)N1CC1C(=O)OC 2230a_200009830135_100000750255 [0,1,0,1,0,0|2,0,0]=4 1145 B13R1.5208 CCC(=O)CNCC1(CC1)C(=O)O 269956a_100000703410_100000747405 [0,1,0,1,0,0|2,0,0]=4 1146 B13R1.5208 CNC(=O)CCNC1(CC1)C(=O)O 269956a_100000746478_100000737683 [0,1,0,1,0,0|2,0,0]=4 1147 B13R1.5208 CNC(=O)CNCC1(CC1)C(=O)O 269956a_100000703410_100000183359 [0,1,0,1,0,0|2,0,0]=4 1148 B13R1.5208 COC(=O)CCNC1(CC1)C(=O)N 2230a_100000687655_100000204255 [0,1,0,1,0,0|2,0,0]=4 1149 B13R1.5208 COC(=O)CCNC1(CC1)C(=O)O 269956a_100000746478_100000204255 [0,1,0,1,0,0|1,0,0]=3 1150 B13R1.5208 COC(=O)CCSC1(CC1)C(=O)C 62a_100000086384_100000204255 [0,1,0,1,0,0|2,0,0]=4 1151 B13R1.5208 COC(=O)CCSC1(CC1)C(=O)C 62a_100000204255_100000086384 [0,1,0,1,0,0|2,0,0]=4 1152 B13R1.5208 COC(=O)CCSC1(CC1)C(=O)N 62a_100000204255_100010760883 [0,1,0,1,0,0|2,0,0]=4 1153 B13R1.5208 COC(=O)CCSC1(CC1)C(=O)N 62a_100010760883_100000204255 [0,1,0,1,0,0|2,0,0]=4 1154 B13R1.5208 COC(=O)CNCC1(CC1)C(=O)O 269956a_100000703410_100000747449 [0,1,0,1,0,0|1,0,0]=3 1155 B13R1.5208 COC(=O)COCC1(CC1)C(=O)N 34a_100000117830_100000747449 [0,1,0,1,0,0|2,0,0]=4 1156 B13R1.5208 COC(=O)COCC1(CC1)C(=O)N 7a_100000117830_100000747449 [0,1,0,1,0,0|2,0,0]=4 1157 B13R1.1383 CCC[C@H](NC1CC(=O)C1)C(=O)O 269956a_100000750406_100009894365 [0,1,0,1,0,0|2,0,0]=4 1158 B13R1.1383 COC[C@@H](NC1CC(=O)C1)C(=O)O 269956a_100011998655_100009894365 [0,1,0,1,0,0|2,0,0]=4 1159 B13R1.1383 CSC[C@H](NC1CC(=O)C1)C(=O)O 269956a_100011421858_100009894365 [0,1,0,1,0,0|2,0,0]=4 1160 B13R1.1383 C[Se]C[C@H](NC1CC(=O)C1)C(=O)O 269956a_100015254316_100009894365 [0,1,0,1,0,0|2,0,0]=4 1161 B13R1.3576 CC(=O)CCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000053229 [0,1,0,1,0,0|2,0,0]=4 1162 B13R1.3576 CC(=O)CCN1CCSC1C(=O)O 269956a_100000035718_100000053229 [0,1,0,1,0,0|2,0,0]=4 1163 B13R1.3576 CC(=O)CCN1CSC[C@H]1C(=O)O 269956a_100000743924_100000053229 [0,1,0,1,0,0|2,0,0]=4 1164 B13R1.3576 NC(=O)CCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000744528 [0,1,0,1,0,0|2,0,0]=4 1165 B13R1.3576 NC(=O)CCN1CCSC1C(=O)O 269956a_100000035718_100000744528 [0,1,0,1,0,0|2,0,0]=4 1166 B13R1.3576 NC(=O)CCN1CSC[C@H]1C(=O)O 269956a_100000743924_100000744528 [0,1,0,1,0,0|2,0,0]=4 1167 B13R1.8671 CC(=O)CCNC1(CCC1)C(=O)O 269956a_100000688724_100000053229 [0,1,0,1,0,0|2,0,0]=4 1168 B13R1.8671 NC(=O)CCNC1(CCC1)C(=O)O 269956a_100000688724_100000744528 [0,1,0,1,0,0|2,0,0]=4 1169 B13R1.8671 NC(=O)CNCC1(CCC1)C(=O)O 269956a_100000729485_100000187820 [0,1,0,1,0,0|2,0,0]=4 1170 B13R1.8671 O=C([O-])CNCC1(CCC1)C(=O)O 269956a_100000729485_100020667443 [0,1,0,1,0,0|1,0,1]=4 1171 B13R1.168 CN(CCC(=O)N)C1CCOC1=O 2230a_100000730477_100000211211 [0,1,0,1,0,0|2,0,0]=4 1172 B13R1.168 NC(=O)CCC(=O)C1CCOC1=O 1458a_100011215257_100000211211 [0,1,0,1,0,0|1,0,1]=4 1173 B13R1.169 CC(=O)C(C)COC1CCOC1=O 34a_100000032740_100000211211 [0,1,0,1,0,0|2,0,0]=4 1174 B13R1.169 CC(=O)C(C)COC1CCOC1=O 7a_100000032740_100000211211 [0,1,0,1,0,0|2,0,0]=4 1175 B13R1.169 CC(CNC1CCCC1=O)C(=O)O 269956a_100000749485_100000211823 [0,1,0,1,0,0|2,0,0]=4 1176 B13R1.169 NC(=O)[C@@H](N)COC1CCOC1=O 34a_100000729942_100000211211 [0,1,0,1,0,0|2,0,0]=4 1177 B13R1.169 O=C(O)C(F)CNC1CCCC1=O 269956a_100000084737_100000211823 [0,1,0,1,0,0|2,0,0]=4 1178 B13R1.8859 CC(=O)C(C)NCC1(CC1)C(=O)O 269956a_100000703410_100009814033 [0,1,0,1,0,0|2,0,0]=4 1179 B13R1.8859 CC(=O)C1(CC1)NCC(C)C(=O)O 269956a_100000749485_100000086384 [0,1,0,1,0,0|2,0,0]=4 1180 B13R1.8859 CC(=O)C1(CC1)NCC(F)C(=O)O 269956a_100000084737_100000086384 [0,1,0,1,0,0|2,0,0]=4 1181 B13R1.6633 CCC(C)(NC1CC(=O)C1)C(=O)O 269956a_100025756313_100009894365 [0,1,0,1,0,0|2,0,0]=4 1182 B13R2.361 O=C1CC(C1)SC2CCOC2=O 62a_100009894365_100000211211 [0,0,0,2,0,0|2,0,0]=4 1183 B13R2.5286 O=C1CC(C1)N2CCC2C(=O)O 269956a_100000021838_100009894365 [0,0,0,2,0,0|2,0,0]=4 1184 B13R2.5298 O=C1CC(C1)NC2(CC2)C(=O)O 269956a_100000746478_100009894365 [0,0,0,2,0,0|2,0,0]=4 1185 B9R0.7 CC(=O)C(C)NCC(=O)O 269956a_100016091260_100009814033 [1,0,0,0,1,0|2,0,0]=4 1186 B9R0.7 C[C@H](NCC(=O)N)C(=O)O 269956a_100000743915_100000187820 [1,0,0,0,1,0|2,0,0]=4 1187 B9R0.7 C[C@H](NCC(=O)[O-])C(=O)O 269956a_100000743915_100020667443 [1,0,0,0,1,0|1,0,1]=4 1188 B11R0.22 C=CC(CC)OCCCC(=O)C 34a_100000766422_100000685027 [1,0,0,0,0,1|2,0,0]=4 1189 B11R0.22 C=CC(CC)OCCCC(=O)C 7a_100000766422_100011215641 [1,0,0,0,0,1|2,0,0]=4 1190 B11R0.22 C=CC(CC)OCCCC(=O)N 34a_100000766422_100102525003 [1,0,0,0,0,1|2,0,0]=4 1191 B11R0.22 C=CC(CC)OCCCC(=O)N 7a_100000766422_100102525003 [1,0,0,0,0,1|2,0,0]=4 1192 B11R0.77 C=CCCCN(CC)CC(=O)O 269956a_100000746405_100011713584 [1,0,0,0,0,1|2,0,0]=4 1193 B11R0.77 C=CCCN[C@H](CC)CC(=O)O 269956a_100016995926_100000754431 [1,0,0,0,0,1|2,0,0]=4 1194 B11R0.77 CCN(CCCC=O)CC(=O)O 269956a_100000746405_200011292268 [1,0,0,0,0,1|1,0,0]=3 1195 B11R0.77 CCN(CCCCO)CC(=O)O 269956a_100000746405_100000210776 [1,0,0,0,0,1|1,0,1]=4 1196 B11R0.77 CC[C@H](CC(=O)O)NCCCO 269956a_100016995926_100011215043 [1,0,0,0,0,1|1,0,1]=4 1197 B11R0.6 CC(=O)CCCN(C)CC(=O)O 269956a_100000746989_100011215641 [1,0,0,0,0,1|2,0,0]=4 1198 B11R0.6 CN(CCCC(=O)N)CC(=O)O 269956a_100000746989_100102525003 [1,0,0,0,0,1|2,0,0]=4 1199 B11R0.6 CN(CCCC(=O)O)CC(=O)N 269956a_100000719178_100000187820 [1,0,0,0,0,1|2,0,0]=4 1200 B11R0.6 CN(CCCC(=O)O)CC(=O)[O-] 269956a_100000719178_100020667443 [1,0,0,0,0,1|1,0,1]=4 1201 B11R0.29 C=C(C)CCNCC(C)C(=O)O 269956a_100000749485_100000730704 [1,0,0,0,0,1|2,0,0]=4 1202 B11R0.29 CC(=O)C(C)COCCC(=O)N 34a_100000032740_100000731001 [1,0,0,0,0,1|2,0,0]=4 1203 B11R0.29 CC(=O)C(C)COCCC(=O)N 7a_100000032740_100000744528 [1,0,0,0,0,1|2,0,0]=4 1204 B11R0.29 CC(=O)C(C)OCCCC(=O)N 34a_100000212229_100102525003 [1,0,0,0,0,1|2,0,0]=4 1205 B11R0.29 CC(=O)C(C)SCCCC(=O)N 62a_100009814033_100102525003 [1,0,0,0,0,1|2,0,0]=4 1206 B11R0.29 CC(=O)C(C)SCCCC(=O)N 62a_100102525003_100009814033 [1,0,0,0,0,1|2,0,0]=4 1207 B11R0.29 CC(=O)CCCN[C@@H](C)C(=O)O 269956a_100000743915_100011215641 [1,0,0,0,0,1|1,0,0]=3 1208 B11R0.29 CC(=O)CCCN[C@H](C)C(=O)N 34a_100000119354_100000685027 [1,0,0,0,0,1|2,0,0]=4 1209 B11R0.29 CC(=O)CCCOC(C)C(=O)C 34a_100000212229_100000685027 [1,0,0,0,0,1|2,0,0]=4 1210 B11R0.29 CC(=O)CCCOC(C)C(=O)C 7a_100000759063_100000179758 [1,0,0,0,0,1|2,0,0]=4 1211 B11R0.29 CC(=O)CCCOC(C)C(=O)N 34a_100000759063_100000702099 [1,0,0,0,0,1|2,0,0]=4 1212 B11R0.29 CC(=O)CCCOC(C)C(=O)N 7a_100000759063_100000702099 [1,0,0,0,0,1|2,0,0]=4 1213 B11R0.29 CC(=O)CCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100011215641 [1,0,0,0,0,1|1,0,1]=4 1214 B11R0.29 CC(=O)CCCO[C@H](C)C(=O)N 34a_100000731257_100000685027 [1,0,0,0,0,1|2,0,0]=4 1215 B11R0.29 CC(=O)CCCO[C@H](C)C(=O)N 7a_100000731257_100011215641 [1,0,0,0,0,1|2,0,0]=4 1216 B11R0.29 CC(=O)CCCSC(C)C(=O)C 62a_100009814033_100011215641 [1,0,0,0,0,1|2,0,0]=4 1217 B11R0.29 CC(=O)CCCSC(C)C(=O)C 62a_100011215641_100009814033 [1,0,0,0,0,1|2,0,0]=4 1218 B11R0.29 CC(=O)CCCSC(C)C(=O)N 62a_100000702099_100011215641 [1,0,0,0,0,1|2,0,0]=4 1219 B11R0.29 CC(=O)CCCSC(C)C(=O)N 62a_100011215641_100000702099 [1,0,0,0,0,1|2,0,0]=4 1220 B11R0.29 CC(=O)CCNCC(C)C(=O)O 269956a_100000749485_100000053229 [1,0,0,0,0,1|1,0,0]=3 1221 B11R0.29 CC(=O)CCNCC(F)C(=O)O 269956a_100000084737_100000053229 [1,0,0,0,0,1|2,0,0]=4 1222 B11R0.29 CC(=O)CCOCC(C)C(=O)C 7a_100000032740_100000053229 [1,0,0,0,0,1|2,0,0]=4 1223 B11R0.29 CC(=O)NCCN[C@@H](C)C(=O)O 269956a_100000743915_100000189650 [1,0,0,0,0,1|2,0,0]=4 1224 B11R0.29 CC(=O)OCCN[C@@H](C)C(=O)O 269956a_100000743915_100009814007 [1,0,0,0,0,1|2,0,0]=4 1225 B11R0.29 CC(=O)OCNCC(C)C(=O)O 269956a_100000749485_100000076356 [1,0,0,0,0,1|2,0,0]=4 1226 B11R0.29 CC(CNCCC(=O)N)C(=O)O 269956a_100000749485_100000744528 [1,0,0,0,0,1|1,0,0]=3 1227 B11R0.29 CC(NCCCC(=O)N)C(=O)N 34a_100000739312_100000702099 [1,0,0,0,0,1|2,0,0]=4 1228 B11R0.29 CC(O)CCCN[C@@H](C)C(=O)O 269956a_100000743915_200000718107 [1,0,0,0,0,1|1,0,1]=4 1229 B11R0.29 CC(O)CCNCC(C)C(=O)O 269956a_100000749485_100012276601 [1,0,0,0,0,1|1,0,1]=4 1230 B11R0.29 CC(SCCCC(=O)N)C(=O)N 62a_100000702099_100102525003 [1,0,0,0,0,1|2,0,0]=4 1231 B11R0.29 CC(SCCCC(=O)N)C(=O)N 62a_100102525003_100000702099 [1,0,0,0,0,1|2,0,0]=4 1232 B11R0.29 C[C@@H](NCCCC(=O)N)C(=O)N 34a_100000119354_100102525003 [1,0,0,0,0,1|2,0,0]=4 1233 B11R0.29 C[C@@H](OCCCC(=O)N)C(=O)N 34a_100000731257_100102525003 [1,0,0,0,0,1|2,0,0]=4 1234 B11R0.29 C[C@@H](OCCCC(=O)N)C(=O)N 7a_100000731257_100102525003 [1,0,0,0,0,1|2,0,0]=4 1235 B11R0.29 C[C@H](NCCCC(=O)N)C(=O)O 269956a_100000743915_100102525003 [1,0,0,0,0,1|1,0,0]=3 1236 B11R0.29 C[C@H](NCCNC(=O)N)C(=O)O 269956a_100000743915_200000034859 [1,0,0,0,0,1|2,0,0]=4 1237 B11R0.29 C[C@H](OCCCC(=O)N)C(=O)[O-] 7a_217856618621_100102525003 [1,0,0,0,0,1|1,0,1]=4 1238 B11R0.29 NC(=O)CCNCC(F)C(=O)O 269956a_100000084737_100000744528 [1,0,0,0,0,1|2,0,0]=4 1239 B11R0.143 CCN(CCC(=O)C)CC(=O)O 269956a_100000746405_100000053229 [0,0,0,0,1,1|2,0,0]=4 1240 B11R0.143 CCN(CCC(=O)N)CC(=O)O 269956a_100000746405_100000744528 [0,0,0,0,1,1|2,0,0]=4 1241 B11R0.143 CC[C@H](CC(=O)O)NCC(=O)N 269956a_100016995926_100000187820 [0,0,0,0,1,1|2,0,0]=4 1242 B11R0.143 CC[C@H](CC(=O)O)NCC(=O)[O-] 269956a_100016995926_100020667443 [0,0,0,0,1,1|1,0,1]=4 1243 B13R0.364 CC(=O)CCCCNC(CO)C(=O)O 269956a_100000187304_100000735457 [0,0,0,0,0,2|2,0,0]=4 1244 B13R0.364 CC(=O)OCCCNC(CO)C(=O)O 269956a_100000187304_100000042594 [0,0,0,0,0,2|2,0,0]=4 1245 B13R0.364 CC(=O)SCCCNC(CO)C(=O)O 269956a_100000187304_100000038929 [0,0,0,0,0,2|2,0,0]=4 1246 B13R0.364 CCC(NCCCCC(=O)C)C(=O)N 34a_100000733705_100009817362 [0,0,0,0,0,2|2,0,0]=4 1247 B13R0.364 CCC(NCCCCC(=O)N)C(=O)N 34a_100000696515_100000750255 [0,0,0,0,0,2|2,0,0]=4 1248 B13R0.364 CCC(NCCCNC(=O)C)C(=O)N 34a_100000736810_100000750255 [0,0,0,0,0,2|2,0,0]=4 1249 B13R0.364 CCC(NCCCOC(=O)C)C(=O)N 34a_100000733705_100000042594 [0,0,0,0,0,2|2,0,0]=4 1250 B13R0.364 CCC(NCCCSC(=O)C)C(=O)N 2230a_100000733705_100000038929 [0,0,0,0,0,2|2,0,0]=4 1251 B13R0.364 CCC(NCCCSC(=O)C)C(=O)N 34a_100000733705_100000038929 [0,0,0,0,0,2|2,0,0]=4 1252 B13R0.364 CCC(NCCOCC(=O)N)C(=O)N 2230a_100000733705_100000076697 [0,0,0,0,0,2|2,0,0]=4 1253 B13R0.364 CCC(NCCOCC(=O)N)C(=O)N 34a_100000733705_100000076697 [0,0,0,0,0,2|2,0,0]=4 1254 B13R0.364 CCC(NCCOCC(=O)O)C(=O)N 269956a_100000700818_200011216081 [0,0,0,0,0,2|1,0,0]=3 1255 B13R0.364 CCC(OCCCCC(=O)N)C(=O)N 34a_100012022536_100000750255 [0,0,0,0,0,2|2,0,0]=4 1256 B13R0.364 CCC(OCCCCC(=O)N)C(=O)N 7a_100012022536_100000750255 [0,0,0,0,0,2|2,0,0]=4 1257 B13R0.364 CCC(OCCCNC(=O)C)C(=O)N 34a_100000752032_100000750255 [0,0,0,0,0,2|2,0,0]=4 1258 B13R0.364 CCC(SCCCCC(=O)C)C(=O)N 62a_100000735457_100000750255 [0,0,0,0,0,2|2,0,0]=4 1259 B13R0.364 CCC(SCCCCC(=O)C)C(=O)N 62a_100000750255_100000735457 [0,0,0,0,0,2|2,0,0]=4 1260 B13R0.364 CCC(SCCCOC(=O)C)C(=O)N 62a_100000042594_100000750255 [0,0,0,0,0,2|2,0,0]=4 1261 B13R0.364 CCC(SCCCOC(=O)C)C(=O)N 62a_100000750255_100000042594 [0,0,0,0,0,2|2,0,0]=4 1262 B13R0.364 CCC(SCCCSC(=O)C)C(=O)N 62a_100000038929_100000750255 [0,0,0,0,0,2|2,0,0]=4 1263 B13R0.364 CCC(SCCCSC(=O)C)C(=O)N 62a_100000750255_100000038929 [0,0,0,0,0,2|2,0,0]=4 1264 B13R0.364 CCC(SCCOCC(=O)N)C(=O)N 62a_100000076697_100000750255 [0,0,0,0,0,2|2,0,0]=4 1265 B13R0.364 CCC(SCCOCC(=O)N)C(=O)N 62a_100000750255_100000076697 [0,0,0,0,0,2|2,0,0]=4 1266 B13R0.364 CC[C@@H](NCCCCB(O)O)C(=O)O 269956a_100000747097_200009817182 [0,0,0,0,0,2|1,0,1]=4 1267 B13R0.364 CC[C@@H](NCCCCC(=O)C)C(=O)O 269956a_100000747097_100000735457 [0,0,0,0,0,2|1,0,0]=3 1268 B13R0.364 CC[C@@H](NCCCOC(=O)C)C(=O)O 269956a_100000747097_100000042594 [0,0,0,0,0,2|1,0,0]=3 1269 B13R0.364 CC[C@@H](NCCCOC(=S)C)C(=O)O 269956a_100000747097_200135323944 [0,0,0,0,0,2|1,1,0]=4 1270 B13R0.364 CC[C@@H](NCCCSC(=O)C)C(=O)O 269956a_100000747097_100000038929 [0,0,0,0,0,2|1,0,0]=3 1271 B13R0.364 CC[C@@H](NCCOCC(=O)N)C(=O)O 269956a_100000747097_100000076697 [0,0,0,0,0,2|1,0,0]=3 1272 B13R0.364 NC(=O)COCCNC(CO)C(=O)O 269956a_100000187304_100000076697 [0,0,0,0,0,2|2,0,0]=4 1273 B13R0.1236 CC(=O)CCCN[C@H](CO)CC(=O)O 269956a_100009816507_100011215641 [0,0,0,0,0,2|2,0,0]=4 1274 B13R0.1236 CCN(CCCCC(=O)C)CC(=O)O 269956a_100000746405_100000735457 [0,0,0,0,0,2|2,0,0]=4 1275 B13R0.1236 CCN(CCCOC(=O)C)CC(=O)O 269956a_100000746405_100000042594 [0,0,0,0,0,2|2,0,0]=4 1276 B13R0.1236 CCN(CCCSC(=O)C)CC(=O)O 269956a_100000746405_100000038929 [0,0,0,0,0,2|2,0,0]=4 1277 B13R0.1236 CCN(CCOCC(=O)N)CC(=O)O 269956a_100000746405_100000076697 [0,0,0,0,0,2|2,0,0]=4 1278 B13R0.1236 CC[C@H](CC(=O)O)NCCCC(=O)C 269956a_100016995926_100011215641 [0,0,0,0,0,2|1,0,0]=3 1279 B13R0.1236 CC[C@H](CC(=O)O)NCCCC(=O)N 269956a_100016995926_100102525003 [0,0,0,0,0,2|1,0,0]=3 1280 B13R0.1236 CC[C@H](CC(=O)O)NCCCC(C)O 269956a_100016995926_200000718107 [0,0,0,0,0,2|1,0,1]=4 1281 B13R0.1236 CC[C@H](CC(=O)O)NCCNC(=O)C 269956a_100016995926_100000189650 [0,0,0,0,0,2|2,0,0]=4 1282 B13R0.1236 CC[C@H](CC(=O)O)NCCNC(=O)N 269956a_100016995926_200000034859 [0,0,0,0,0,2|2,0,0]=4 1283 B13R0.1236 CC[C@H](CC(=O)O)NCCOC(=O)C 269956a_100016995926_100009814007 [0,0,0,0,0,2|2,0,0]=4 1284 B13R0.1236 NC(=O)CCCN[C@H](CO)CC(=O)O 269956a_100009816507_100102525003 [0,0,0,0,0,2|2,0,0]=4