0 B15R0.2722 C=C(C)C(C)NCCC(C)CCCC(C)C 269862a_102516457229_100011216138 [0,0,0,0,0,0|3,0,0]=3 1 B15R0.2722 CC(=CCCC(C)CCN[C@@H](C)C(=O)O)C 269956a_100000743915_100009814015 [0,0,0,0,0,0|1,0,2]=3 2 B15R0.2722 CC(=CCCC(C)CCN[C@H](C)C(=O)N)C 2230a_100000119354_100009814015 [0,0,0,0,0,0|2,0,2]=4 3 B15R0.2722 CC(=CCCC(C)CCN[C@H](C)C(=O)N)C 270004a_100000119354_100000212096 [0,0,0,0,0,0|2,0,2]=4 4 B15R0.2722 CC(=CCCC(C)CCN[C@H](C)C(=O)N)C 34a_100000119354_100009814015 [0,0,0,0,0,0|2,0,2]=4 5 B15R0.2722 CC(=CCCC(C)CCOC(C)C(=O)N)C 34a_100000017536_100000702099 [0,0,0,0,0,0|2,0,2]=4 6 B15R0.2722 CC(=CCCC(C)CCOC(C)C(=O)N)C 7a_100000017536_100000702099 [0,0,0,0,0,0|2,0,2]=4 7 B15R0.2722 CC(=CCCC(C)CCO[C@@H](C)C(=O)[O-])C 7a_217856618621_100009814015 [0,0,0,0,0,0|1,0,3]=4 8 B15R0.2722 CC(=CCCC(C)CCO[C@H](C)C(=O)N)C 34a_100000731257_100009814015 [0,0,0,0,0,0|2,0,2]=4 9 B15R0.2722 CC(=CCCC(C)CCO[C@H](C)C(=O)N)C 7a_100000731257_100009814015 [0,0,0,0,0,0|2,0,2]=4 10 B15R0.2722 CC(=CCCC(C)CCSC(C)C(=O)N)C 62a_100000702099_100009814015 [0,0,0,0,0,0|2,0,2]=4 11 B15R0.2722 CC(=CCCC(C)CCSC(C)C(=O)N)C 62a_100009814015_100000702099 [0,0,0,0,0,0|2,0,2]=4 12 B15R0.2722 CC(=O)C(C)NCCC(C)CCCC(C)C 2230a_102516457229_100009814033 [0,0,0,0,0,0|2,0,0]=2 13 B15R0.2722 CC(=O)C(C)OCCC(C)CCC=C(C)C 34a_100000212229_100009814015 [0,0,0,0,0,0|2,0,2]=4 14 B15R0.2722 CC(=O)C(C)OCCC(C)CCC=C(C)C 7a_100000017536_100000179758 [0,0,0,0,0,0|2,0,2]=4 15 B15R0.2722 CC(=O)C(C)OCCC(C)CCCC(C)C 34a_100000212229_100009816328 [0,0,0,0,0,0|2,0,0]=2 16 B15R0.2722 CC(=O)C(C)OCCC(C)CCCC(C)C 7a_100000015991_100000179758 [0,0,0,0,0,0|2,0,0]=2 17 B15R0.2722 CC(=O)C(C)SCCC(C)CCC=C(C)C 62a_100009814015_100009814033 [0,0,0,0,0,0|2,0,2]=4 18 B15R0.2722 CC(=O)C(C)SCCC(C)CCC=C(C)C 62a_100009814033_100009814015 [0,0,0,0,0,0|2,0,2]=4 19 B15R0.2722 CC(=O)C(C)SCCC(C)CCCC(C)C 62a_100009814033_100009816328 [0,0,0,0,0,0|2,0,0]=2 20 B15R0.2722 CC(=O)C(C)SCCC(C)CCCC(C)C 62a_100009816328_100009814033 [0,0,0,0,0,0|2,0,0]=2 21 B15R0.2722 CC(C)CCCC(C)CCNC(=O)C(=O)N 240690a_102516457229_100011215815 [0,0,0,0,0,0|3,0,1]=4 22 B15R0.2722 CC(C)CCCC(C)CCNC(C)C(=O)N 2230a_102516457229_100000702099 [0,0,0,0,0,0|2,0,0]=2 23 B15R0.2722 CC(C)CCCC(C)CCNC(C)C(C)C 2230a_100000211541_100009816328 [0,0,0,0,0,0|3,0,1]=4 24 B15R0.2722 CC(C)CCCC(C)CCNC(F)C(=O)N 2230a_102516457229_100009813875 [0,0,0,0,0,0|3,0,0]=3 25 B15R0.2722 CC(C)CCCC(C)CCN[C@@H](C)C(=O)O 269956a_100000743915_100009816328 [0,0,0,0,0,0|1,0,0]=1 26 B15R0.2722 CC(C)CCCC(C)CCN[C@H](C)C(=O)N 2230a_100000119354_100009816328 [0,0,0,0,0,0|2,0,0]=2 27 B15R0.2722 CC(C)CCCC(C)CCN[C@H](C)C(=O)N 34a_100000119354_100009816328 [0,0,0,0,0,0|2,0,0]=2 28 B15R0.2722 CC(C)CCCC(C)CCOC(C)C(=O)N 34a_100000015991_100000702099 [0,0,0,0,0,0|2,0,0]=2 29 B15R0.2722 CC(C)CCCC(C)CCOC(C)C(=O)N 7a_100000015991_100000702099 [0,0,0,0,0,0|2,0,0]=2 30 B15R0.2722 CC(C)CCCC(C)CCOC(C)C(C)C 7a_100000748068_100009816328 [0,0,0,0,0,0|3,0,1]=4 31 B15R0.2722 CC(C)CCCC(C)CCOC(F)C(=O)N 34a_100000015991_100009813875 [0,0,0,0,0,0|3,0,0]=3 32 B15R0.2722 CC(C)CCCC(C)CCOC(F)C(=O)N 7a_100000015991_100009813875 [0,0,0,0,0,0|3,0,0]=3 33 B15R0.2722 CC(C)CCCC(C)CCOC(F)C(=O)[O-] 34a_100000015991_100020610796 [0,0,0,0,0,0|2,0,1]=3 34 B15R0.2722 CC(C)CCCC(C)CCO[C@@H](C)C(=O)[O-] 7a_217856618621_100009816328 [0,0,0,0,0,0|1,0,1]=2 35 B15R0.2722 CC(C)CCCC(C)CCO[C@H](C)C(=O)N 34a_100000731257_100009816328 [0,0,0,0,0,0|2,0,0]=2 36 B15R0.2722 CC(C)CCCC(C)CCO[C@H](C)C(=O)N 7a_100000731257_100009816328 [0,0,0,0,0,0|2,0,0]=2 37 B15R0.2722 CC(C)CCCC(C)CCSC(C)C(=O)N 62a_100000702099_100009816328 [0,0,0,0,0,0|2,0,0]=2 38 B15R0.2722 CC(C)CCCC(C)CCSC(C)C(=O)N 62a_100009816328_100000702099 [0,0,0,0,0,0|2,0,0]=2 39 B15R0.2722 CC(C)CCCC(C)CCSC(F)C(=O)N 62a_100009813875_100009816328 [0,0,0,0,0,0|3,0,0]=3 40 B15R0.2722 CC(C)CCCC(C)CCSC(F)C(=O)N 62a_100009816328_100009813875 [0,0,0,0,0,0|3,0,0]=3 41 B15R0.2722 CC(C)CCCC(C)CCSC(F)C(=O)[O-] 62a_100009816328_100020610796 [0,0,0,0,0,0|2,0,1]=3 42 B15R0.2722 CC(C)CCCC(C)CCSC(F)C(=O)[O-] 62a_100020610796_100009816328 [0,0,0,0,0,0|2,0,1]=3 43 B14R0.67 C=C(C)CNCCC(C)CCCC(C)C 2230a_102516457229_100000748629 [1,0,0,0,0,0|3,0,0]=4 44 B14R0.67 C=C(C)COCCC(C)CCCC(C)C 34a_100000015991_100000748629 [1,0,0,0,0,0|3,0,0]=4 45 B14R0.67 C=C(C)COCCC(C)CCCC(C)C 34a_100000210245_100009816328 [1,0,0,0,0,0|3,0,0]=4 46 B14R0.67 C=C(C)COCCC(C)CCCC(C)C 7a_100000015991_100000748629 [1,0,0,0,0,0|3,0,0]=4 47 B14R0.67 C=C(F)CNCCC(C)CCCC(C)C 2230a_102516457229_100009893438 [1,0,0,0,0,0|3,0,0]=4 48 B14R0.67 C=C(F)COCCC(C)CCCC(C)C 34a_100000015991_100009893438 [1,0,0,0,0,0|3,0,0]=4 49 B14R0.67 C=C(F)COCCC(C)CCCC(C)C 34a_200010262243_100009816328 [1,0,0,0,0,0|3,0,0]=4 50 B14R0.67 C=C(F)COCCC(C)CCCC(C)C 7a_100000015991_100000042424 [1,0,0,0,0,0|3,0,0]=4 51 B14R0.67 CC(=CCCC(C)CCNCC(=O)O)C 269956a_100016091260_100009814015 [1,0,0,0,0,0|1,0,2]=4 52 B14R0.67 CC(=O)CCCCC(=O)CCCC(C)C 1458a_100011216857_100000735457 [1,0,0,0,0,0|2,0,1]=4 53 B14R0.67 CC(=O)CCCCN(C)CCCN(C)C 269982a_100000225831_100000735457 [1,0,0,0,0,0|3,0,0]=4 54 B14R0.67 CC(=O)CCCOC(C)CCCC(C)C 34a_200011218570_100000685027 [1,0,0,0,0,0|2,0,0]=3 55 B14R0.67 CC(=O)CCCOC(C)CCCC(C)C 7a_200011218570_100011215641 [1,0,0,0,0,0|2,0,0]=3 56 B14R0.67 CC(=O)COCCC(C)CCCC(C)C 34a_100000211253_100009816328 [1,0,0,0,0,0|2,0,0]=3 57 B14R0.67 CC(=O)NCCNC(C)CCCC(C)C 2230a_100000210607_100000189650 [1,0,0,0,0,0|3,0,0]=4 58 B14R0.67 CC(=O)NCCOC(C)CCCC(C)C 7a_200011218570_100000189650 [1,0,0,0,0,0|3,0,0]=4 59 B14R0.67 CC(=O)OCCOC(C)CCCC(C)C 34a_200011218570_100009814007 [1,0,0,0,0,0|3,0,0]=4 60 B14R0.67 CC(=O)OCCOC(C)CCCC(C)C 7a_200011218570_100009814007 [1,0,0,0,0,0|3,0,0]=4 61 B14R0.67 CC(C)CCCC(C)CCNCC(=O)N 2230a_100000711301_100009816328 [1,0,0,0,0,0|2,0,0]=3 62 B14R0.67 CC(C)CCCC(C)CCNCC(=O)N 2230a_102516457229_100000747473 [1,0,0,0,0,0|2,0,0]=3 63 B14R0.67 CC(C)CCCC(C)CCNCC(=O)O 269956a_100016091260_100009816328 [1,0,0,0,0,0|1,0,0]=2 64 B14R0.67 CC(C)CCCC(C)CCNCC(C)O 2230a_100000210904_100009816328 [1,0,0,0,0,0|2,0,1]=4 65 B14R0.67 CC(C)CCCC(C)CCNCC(C)O 2230a_102516457229_100011218427 [1,0,0,0,0,0|2,0,1]=4 66 B14R0.67 CC(C)CCCC(C)CCNCC(C)O 34a_100000210904_100009816328 [1,0,0,0,0,0|2,0,1]=4 67 B14R0.67 CC(C)CCCC(C)CCNC[C@@H](C)O 2230a_102516457229_100009817552 [1,0,0,0,0,0|2,0,1]=4 68 B14R0.67 CC(C)CCCC(C)CCOCC(=O)N 34a_100000015991_100000187820 [1,0,0,0,0,0|2,0,0]=3 69 B14R0.67 CC(C)CCCC(C)CCOCC(=O)N 7a_100000015991_100000187820 [1,0,0,0,0,0|2,0,0]=3 70 B14R0.67 CC(C)CCCC(C)CCOCC(=O)[O-] 34a_100000015991_100020667443 [1,0,0,0,0,0|1,0,1]=3 71 B14R0.67 CC(C)CCCC(C)CCOCC(C)O 34a_100000015991_100011218427 [1,0,0,0,0,0|2,0,1]=4 72 B14R0.67 CC(C)CCCC(C)CCOCC(C)O 7a_100000015991_100011218427 [1,0,0,0,0,0|2,0,1]=4 73 B14R0.67 CC(C)CCCC(C)CCOC[C@@H](C)O 34a_100000015991_100009817552 [1,0,0,0,0,0|2,0,1]=4 74 B14R0.67 CC(C)CCCC(C)CCOC[C@@H](C)O 7a_100000015991_100009817552 [1,0,0,0,0,0|2,0,1]=4 75 B14R0.67 CC(C)CCCC(C)CCOC[N+](=O)[O-] 34a_100000015991_100000761209 [1,0,0,0,0,0|2,0,1]=4 76 B14R0.67 CC(C)CCCC(C)CCSCC(=O)N 62a_100000747473_100009816328 [1,0,0,0,0,0|2,0,0]=3 77 B14R0.67 CC(C)CCCC(C)CCSCC(=O)N 62a_100009816328_100000747473 [1,0,0,0,0,0|2,0,0]=3 78 B14R0.67 CC(C)CCCC(C)CCSCC(=O)[O-] 62a_100009816328_100020667443 [1,0,0,0,0,0|1,0,1]=3 79 B14R0.67 CC(C)CCCC(C)CCSCC(=O)[O-] 62a_100020667443_100009816328 [1,0,0,0,0,0|1,0,1]=3 80 B14R0.67 CC(C)CCCC(C)CCSCC(C)O 62a_100009816328_100011218427 [1,0,0,0,0,0|2,0,1]=4 81 B14R0.67 CC(C)CCCC(C)CCSCC(C)O 62a_100011218427_100009816328 [1,0,0,0,0,0|2,0,1]=4 82 B14R0.67 CC(C)CCCC(C)CCSC[C@@H](C)O 62a_100009816328_100009817552 [1,0,0,0,0,0|2,0,1]=4 83 B14R0.67 CC(C)CCCC(C)CCSC[C@@H](C)O 62a_100009817552_100009816328 [1,0,0,0,0,0|2,0,1]=4 84 B14R0.67 CC(C)CCCC(C)CCSC[N+](=O)[O-] 62a_100009816328_100000761209 [1,0,0,0,0,0|2,0,1]=4 85 B14R0.67 CC(C)CCCC(C)NCCCC(C)O 2230a_100000210607_200000718107 [1,0,0,0,0,0|2,0,1]=4 86 B14R0.67 CC(C)CCCC(C)NCCCS(=O)C 270004a_200000753449_100000753411 [1,0,0,0,0,0|3,0,0]=4 87 B14R0.67 CC(C)CCCC(C)NCCNC(=O)N 2230a_100000210607_200000034859 [1,0,0,0,0,0|3,0,0]=4 88 B14R0.67 CC(C)CCCC(C)OCCCC(=O)N 34a_200011218570_100102525003 [1,0,0,0,0,0|2,0,0]=3 89 B14R0.67 CC(C)CCCC(C)OCCCC(=O)N 7a_200011218570_100102525003 [1,0,0,0,0,0|2,0,0]=3 90 B14R0.67 CC(C)CCCC(C)OCCCC(C)O 34a_200011218570_200000718107 [1,0,0,0,0,0|2,0,1]=4 91 B14R0.67 CC(C)CCCC(C)OCCCC(C)O 7a_200011218570_200000718107 [1,0,0,0,0,0|2,0,1]=4 92 B14R0.67 CC(C)CCCC(C)OCCNC(=O)N 7a_200011218570_200000034859 [1,0,0,0,0,0|3,0,0]=4 93 B14R0.67 CC(C)CCCC(C)OCCOC(=O)N 34a_200011218570_200011214921 [1,0,0,0,0,0|3,0,0]=4 94 B14R0.67 CC(C)CCCC(C)OCCOC(=O)N 7a_200011218570_200011214921 [1,0,0,0,0,0|3,0,0]=4 95 B14R0.229 CCCCCC(=O)CNCC(C)C(=O)O 269956a_100000749485_200012276598 [1,0,0,0,0,0|2,0,1]=4 96 B14R0.304 C#CC(C)NCCC(C)CCCC(C)C 2230a_100000707721_100009816328 [1,0,0,0,0,0|2,0,1]=4 97 B14R0.304 C#CC(C)NCCC(C)CCCC(C)C 34a_100000707721_100009816328 [1,0,0,0,0,0|2,0,1]=4 98 B14R0.304 C#CC(C)OCCC(C)CCCC(C)C 34a_100000015991_200000035995 [1,0,0,0,0,0|2,0,1]=4 99 B14R0.304 C#CC(C)SCCC(C)CCCC(C)C 62a_200000035995_100009816328 [1,0,0,0,0,0|2,0,1]=4 100 B14R0.304 C#C[C@@H](C)OCCC(C)CCCC(C)C 34a_100009815206_100009816328 [1,0,0,0,0,0|2,0,1]=4 101 B14R0.304 C#C[C@@H](C)OCCC(C)CCCC(C)C 7a_100009815206_100009816328 [1,0,0,0,0,0|2,0,1]=4 102 B14R0.304 C=CC(C)OCCC(C)CCCC(C)C 34a_100000695699_100009816328 [1,0,0,0,0,0|2,0,0]=3 103 B14R0.304 CC(C)CCCC(C)CCNC(C)C#N 2230a_100000737613_100009816328 [1,0,0,0,0,0|2,0,1]=4 104 B14R0.304 CC(C)CCCC(C)CCNC(C)C#N 2230a_102516457229_100000184139 [1,0,0,0,0,0|2,0,1]=4 105 B14R0.304 CC(C)CCCC(C)CCNC(C)CO 2230a_102516457229_100012180447 [1,0,0,0,0,0|1,0,1]=3 106 B14R0.304 CC(C)CCCC(C)CCN[C@H](C)CO 2230a_100000737577_100009816328 [1,0,0,0,0,0|1,0,1]=3 107 B14R0.304 CC(C)CCCC(C)CCOC(C)C#N 34a_100011218135_100009816328 [1,0,0,0,0,0|2,0,1]=4 108 B14R0.304 CC(C)CCCC(C)CCOC(C)C#N 7a_100000015991_100000703298 [1,0,0,0,0,0|2,0,1]=4 109 B14R0.304 CC(C)CCCC(C)CCOC(C)CF 34a_100016041109_100009816328 [1,0,0,0,0,0|2,0,1]=4 110 B14R0.304 CC(C)CCCC(C)CCOC(C)CF 7a_100016041109_100009816328 [1,0,0,0,0,0|2,0,1]=4 111 B14R0.304 CC(C)CCCC(C)CCOC(C)CN 34a_100000210904_100009816328 [1,0,0,0,0,0|2,0,1]=4 112 B14R0.304 CC(C)CCCC(C)CCOC(C)CO 34a_100000015991_100012180447 [1,0,0,0,0,0|1,0,1]=3 113 B14R0.304 CC(C)CCCC(C)CCOC(C)CO 7a_100000015991_100012180447 [1,0,0,0,0,0|1,0,1]=3 114 B14R0.304 CC(C)CCCC(C)CCSC(C)C#N 62a_100000703298_100009816328 [1,0,0,0,0,0|2,0,1]=4 115 B14R0.304 CC(C)CCCC(C)CCSC(C)C#N 62a_100009816328_100000703298 [1,0,0,0,0,0|2,0,1]=4 116 B14R0.304 CC(C)CCCC(C)CCSC(C)CO 62a_100012180447_100009816328 [1,0,0,0,0,0|1,0,1]=3 117 B14R0.304 CC(C)CCCC(C)CCS[C@H](C)CO 62a_100009816328_100016084084 [1,0,0,0,0,0|1,0,1]=3 118 B14R0.304 CC(C)CCCC(C)CCS[C@H](C)CO 62a_100016084084_100009816328 [1,0,0,0,0,0|1,0,1]=3 119 B14R0.304 CC(C)CCCC(C)NCCC(C)CO 270004a_106354213184_100000753411 [1,0,0,0,0,0|1,0,1]=3 120 B14R0.304 CC(CO)CCNC(C)CCOC(C)C 270004a_106354213184_200011219172 [1,0,0,0,0,0|2,0,1]=4 121 B14R0.304 CCC(C)CCNC(C)CCCC(C)C 270004a_100020591266_100000753411 [1,0,0,0,0,0|2,0,1]=4 122 B14R0.304 CCC(C)NCCC(C)CCCC(C)C 2230a_100000209981_100009816328 [1,0,0,0,0,0|2,0,1]=4 123 B14R0.304 CCC(C)NCCC(C)CCCC(C)C 2230a_102516457229_100000758301 [1,0,0,0,0,0|2,0,1]=4 124 B14R0.304 CCC(C)OCCC(C)CCCC(C)C 34a_100000015991_100011215416 [1,0,0,0,0,0|2,0,1]=4 125 B14R0.304 CCC(C)OCCC(C)CCCC(C)C 7a_100000015991_100000758301 [1,0,0,0,0,0|2,0,1]=4 126 B14R0.304 CCC(C)OCCC(C)CCCC(C)C 7a_100000210228_100009816328 [1,0,0,0,0,0|2,0,1]=4 127 B14R0.304 COC(C)SCCC(C)CCCC(C)C 62a_100009816328_100009879195 [1,0,0,0,0,0|3,0,0]=4 128 B14R0.304 COC(C)SCCC(C)CCCC(C)C 62a_100009879195_100009816328 [1,0,0,0,0,0|3,0,0]=4 129 B14R0.549 C=C(C)C(C)NCCCCCCC(C)C 269862a_100000211014_100011216138 [1,0,0,0,0,0|3,0,0]=4 130 B14R0.549 CC(=O)C(C)COCCCCCC(C)C 34a_100000032740_100000210682 [1,0,0,0,0,0|2,0,0]=3 131 B14R0.549 CC(=O)C(C)COCCCCCC(C)C 7a_100000032740_100000210682 [1,0,0,0,0,0|2,0,0]=3 132 B14R0.549 CC(=O)C(C)NCCCCCCC(C)C 2230a_100000211014_100009814033 [1,0,0,0,0,0|2,0,0]=3 133 B14R0.549 CC(C)CCCCCCNC(C)C(=O)N 2230a_100000211014_100000702099 [1,0,0,0,0,0|2,0,0]=3 134 B14R0.549 CC(C)CCCCCCNC(C)C(=O)N 34a_100000211014_100000702099 [1,0,0,0,0,0|2,0,0]=3 135 B14R0.549 CC(C)CCCCCCNC(F)C(=O)N 2230a_100000211014_100009813875 [1,0,0,0,0,0|3,0,0]=4 136 B14R0.549 CC(C)CCCCCCNC(F)C(=O)N 34a_100000211014_100009813875 [1,0,0,0,0,0|3,0,0]=4 137 B14R0.549 CC(C)CCCCCCNC(F)C(=O)[O-] 34a_100000211014_100020610796 [1,0,0,0,0,0|2,0,1]=4 138 B14R0.549 CC(C)CCCCCNCC(C)C(=O)O 269956a_100000749485_100000210682 [1,0,0,0,0,0|1,0,0]=2 139 B14R0.549 CC(C)CCCCCNCC(F)C(=O)O 269956a_100000084737_100000210682 [1,0,0,0,0,0|2,0,0]=3 140 B14R0.549 CC(C)CCCCCOCC(C)[N+](=O)[O-] 34a_100000039676_100000210682 [1,0,0,0,0,0|2,0,1]=4 141 B14R0.549 CC(C)CCCCCOCC(C)[N+](=O)[O-] 7a_100000039676_100000210682 [1,0,0,0,0,0|2,0,1]=4 142 B14R0.549 CC(C)CCCCCOC[C@H](N)C(=O)N 34a_100000729942_100000210682 [1,0,0,0,0,0|3,0,0]=4 143 B14R0.549 CC(C)NCCCCCOC(C)C(=O)N 34a_100011629493_100000702099 [1,0,0,0,0,0|3,0,0]=4 144 B16R0.102 C/C=C(\C)/C(C)NCCC(C)CCCC(C)C 269862a_102516457229_100020675665 [0,1,0,0,0,0|3,0,0]=4 145 B16R0.102 CC(C)CCCC(C)CCOC(C)C(=O)NN 34a_100000725659_100009816328 [0,1,0,0,0,0|2,0,0]=3 146 B16R0.102 CCC(=O)C(C)NCCC(C)CCCC(C)C 2230a_102516457229_100000742827 [0,1,0,0,0,0|2,0,0]=3 147 B16R0.102 CCC(=O)C(C)OCCC(C)CCCC(C)C 7a_100000015991_100000742827 [0,1,0,0,0,0|2,0,0]=3 148 B16R0.102 CCC(=O)C(C)SCCC(C)CCCC(C)C 62a_100000742827_100009816328 [0,1,0,0,0,0|2,0,0]=3 149 B16R0.102 CCC(=O)C(C)SCCC(C)CCCC(C)C 62a_100009816328_100000742827 [0,1,0,0,0,0|2,0,0]=3 150 B16R0.102 CNC(=O)C(C)NCCC(C)CCCC(C)C 2230a_102516457229_100000731044 [0,1,0,0,0,0|2,0,0]=3 151 B16R0.102 CNC(=O)C(C)OCCC(C)CCCC(C)C 34a_100000015991_100000731044 [0,1,0,0,0,0|2,0,0]=3 152 B16R0.102 CNC(=O)C(C)OCCC(C)CCCC(C)C 7a_100000015991_100000209862 [0,1,0,0,0,0|2,0,0]=3 153 B16R0.102 CNC(=O)C(C)SCCC(C)CCCC(C)C 62a_100000209862_100009816328 [0,1,0,0,0,0|2,0,0]=3 154 B16R0.102 CNC(=O)C(C)SCCC(C)CCCC(C)C 62a_100009816328_100000731044 [0,1,0,0,0,0|2,0,0]=3 155 B16R0.102 CNC(=O)C(F)NCCC(C)CCCC(C)C 2230a_102516457229_100009813575 [0,1,0,0,0,0|3,0,0]=4 156 B16R0.102 CNC(=O)C(F)OCCC(C)CCCC(C)C 34a_100000015991_100009813575 [0,1,0,0,0,0|3,0,0]=4 157 B16R0.102 CNC(=O)C(F)OCCC(C)CCCC(C)C 7a_100000015991_100009813575 [0,1,0,0,0,0|3,0,0]=4 158 B16R0.102 CNC(=O)C(F)SCCC(C)CCCC(C)C 62a_100009813575_100009816328 [0,1,0,0,0,0|3,0,0]=4 159 B16R0.102 CNC(=O)C(F)SCCC(C)CCCC(C)C 62a_100009816328_100009813575 [0,1,0,0,0,0|3,0,0]=4 160 B16R0.102 CNC(=O)[C@@H](C)NCCC(C)CCCC(C)C 2230a_100000684985_100009816328 [0,1,0,0,0,0|2,0,0]=3 161 B16R0.102 CNC(=O)[C@@H](C)NCCC(C)CCCC(C)C 34a_100000684985_100009816328 [0,1,0,0,0,0|2,0,0]=3 162 B16R0.102 COC(=O)C(=O)NCCC(C)CCCC(C)C 1626a_102516457229_100000024059 [0,1,0,0,0,0|2,0,1]=4 163 B16R0.102 COC(=O)C(=O)NCCC(C)CCCC(C)C 240690a_102516457229_100000024059 [0,1,0,0,0,0|2,0,1]=4 164 B16R0.102 COC(=O)C(=O)NCCC(C)CCCC(C)C 527a_102516457229_100000024059 [0,1,0,0,0,0|2,0,1]=4 165 B16R0.102 COC(=O)C(C)CCNC(C)CCCC(C)C 2230a_100000210607_100000034942 [0,1,0,0,0,0|1,0,0]=2 166 B16R0.102 COC(=O)C(C)CCOC(C)CCC=C(C)C 34a_100102619829_100000034942 [0,1,0,0,0,0|1,0,2]=4 167 B16R0.102 COC(=O)C(C)CCOC(C)CCC=C(C)C 7a_100102619829_100000034942 [0,1,0,0,0,0|1,0,2]=4 168 B16R0.102 COC(=O)C(C)CCOC(C)CCCC(C)C 34a_200011218570_100000034942 [0,1,0,0,0,0|1,0,0]=2 169 B16R0.102 COC(=O)C(C)CCOC(C)CCCC(C)C 7a_200011218570_100000034942 [0,1,0,0,0,0|1,0,0]=2 170 B16R0.102 COC(=O)C(C)NCCC(C)CCCC(C)C 2230a_102516457229_100000211248 [0,1,0,0,0,0|1,0,0]=2 171 B16R0.102 COC(=O)C(C)OCCC(C)CCC=C(C)C 34a_100000017536_100000211248 [0,1,0,0,0,0|1,0,2]=4 172 B16R0.102 COC(=O)C(C)OCCC(C)CCC=C(C)C 34a_100011215400_100009814015 [0,1,0,0,0,0|1,0,2]=4 173 B16R0.102 COC(=O)C(C)OCCC(C)CCC=C(C)C 7a_100000017536_100000211248 [0,1,0,0,0,0|1,0,2]=4 174 B16R0.102 COC(=O)C(C)OCCC(C)CCCC(C)C 34a_100000015991_100000211248 [0,1,0,0,0,0|1,0,0]=2 175 B16R0.102 COC(=O)C(C)OCCC(C)CCCC(C)C 34a_100011215400_100009816328 [0,1,0,0,0,0|1,0,0]=2 176 B16R0.102 COC(=O)C(C)OCCC(C)CCCC(C)C 7a_100000015991_100000211248 [0,1,0,0,0,0|1,0,0]=2 177 B16R0.102 COC(=O)C(C)SCCC(C)CCC=C(C)C 62a_100000211248_100009814015 [0,1,0,0,0,0|1,0,2]=4 178 B16R0.102 COC(=O)C(C)SCCC(C)CCC=C(C)C 62a_100009814015_100000211248 [0,1,0,0,0,0|1,0,2]=4 179 B16R0.102 COC(=O)C(C)SCCC(C)CCCC(C)C 62a_100000211248_100009816328 [0,1,0,0,0,0|1,0,0]=2 180 B16R0.102 COC(=O)C(C)SCCC(C)CCCC(C)C 62a_100009816328_100000211248 [0,1,0,0,0,0|1,0,0]=2 181 B16R0.102 COC(=O)N(C)CCCC(=O)CCCC(C)C 1458a_100000752137_100011214892 [0,1,0,0,0,0|2,0,1]=4 182 B16R0.2206 C=C[C@H](NCCC(C)CCCC(C)C)C(=O)O 269956a_100016992060_100009816328 [0,1,0,0,0,0|1,0,1]=3 183 B16R0.2206 CC(=CCCC(C)CCNC(CO)C(=O)O)C 269956a_100000187304_100009814015 [0,1,0,0,0,0|1,0,2]=4 184 B16R0.2206 CC(C)CCCC(C)CCNC(C#N)C(=O)N 2230a_100000039599_100009816328 [0,1,0,0,0,0|2,0,1]=4 185 B16R0.2206 CC(C)CCCC(C)CCNC(CO)C(=O)O 269956a_100000187304_100009816328 [0,1,0,0,0,0|1,0,0]=2 186 B16R0.2206 CC(C)CCCC(C)CCN[C@@H](CO)C(=O)N 2230a_100000729942_100009816328 [0,1,0,0,0,0|2,0,0]=3 187 B16R0.2206 CC(C)CCCC(C)CCN[C@@H](CO)C(=O)N 34a_100000729942_100009816328 [0,1,0,0,0,0|2,0,0]=3 188 B16R0.2206 CC(C)CCCC(C)CCN[C@H](CO)[C@@H](C)O 2230a_100015196842_100009816328 [0,1,0,0,0,0|2,0,1]=4 189 B16R0.2206 CC(C)CCCC(C)CCN[C@H](CO)[C@@H](C)O 34a_100015196842_100009816328 [0,1,0,0,0,0|2,0,1]=4 190 B16R0.2206 CCC(NCCC(C)CCCC(C)C)C(=O)N 2230a_100000733705_100009816328 [0,1,0,0,0,0|2,0,0]=3 191 B16R0.2206 CCC(NCCC(C)CCCC(C)C)C(=O)N 2230a_102516457229_100000750255 [0,1,0,0,0,0|2,0,0]=3 192 B16R0.2206 CCC(NCCC(C)CCCC(C)C)C(=O)N 34a_100000733705_100009816328 [0,1,0,0,0,0|2,0,0]=3 193 B16R0.2206 CCC(OCCC(C)CCCC(C)C)C(=O)N 34a_100000015991_100000750255 [0,1,0,0,0,0|2,0,0]=3 194 B16R0.2206 CCC(OCCC(C)CCCC(C)C)C(=O)N 7a_100000015991_100000750255 [0,1,0,0,0,0|2,0,0]=3 195 B16R0.2206 CCC(SCCC(C)CCCC(C)C)C(=O)N 62a_100000750255_100009816328 [0,1,0,0,0,0|2,0,0]=3 196 B16R0.2206 CCC(SCCC(C)CCCC(C)C)C(=O)N 62a_100009816328_100000750255 [0,1,0,0,0,0|2,0,0]=3 197 B16R0.2206 CC[C@@H](NCCC(C)CCC=C(C)C)C(=O)O 269956a_100000747097_100009814015 [0,1,0,0,0,0|1,0,2]=4 198 B16R0.2206 CC[C@@H](NCCC(C)CCCC(C)C)C(=O)O 269956a_100000747097_100009816328 [0,1,0,0,0,0|1,0,0]=2 199 B16R0.2206 CC[C@H](NCCC(C)CCCC(C)C)[C@@H](C)O 2230a_100161114882_100009816328 [0,1,0,0,0,0|2,0,1]=4 200 B16R0.2206 CC[C@H](NCCC(C)CCCC(C)C)[C@@H](C)O 34a_100161114882_100009816328 [0,1,0,0,0,0|2,0,1]=4 201 B16R0.2338 CC(C)CCCC(C)CCNC(C)C(C)(C)O 269862a_102516457229_100000747739 [0,1,0,0,0,0|2,0,1]=4 202 B16R0.2338 CC(C)CCCC(C)CCN[C@@H](C)C(C)(C)O 2230a_100025708725_100009816328 [0,1,0,0,0,0|2,0,1]=4 203 B16R0.2341 CC(=CCCC(C)CCN(C)C(C)C(=O)O)C 269956a_100000749554_100009814015 [0,1,0,0,0,0|1,0,2]=4 204 B16R0.2341 CC(C)CCCC(C)CCN(C)C(C)C(=O)O 269956a_100000749554_100009816328 [0,1,0,0,0,0|1,0,0]=2 205 B16R0.6899 CC(=O)C(C)(C)OCCC(C)CCCC(C)C 34a_100000747739_100009816328 [0,1,0,0,0,0|2,0,0]=3 206 B16R0.6899 CC(=O)C(C)(C)OCCC(C)CCCC(C)C 7a_100000015991_100000075568 [0,1,0,0,0,0|2,0,0]=3 207 B16R0.6899 CC(=O)C(C)(C)OCCC(C)CCCC(C)C 7a_100000747739_100009816328 [0,1,0,0,0,0|2,0,0]=3 208 B16R0.6899 CC(=O)C(C)(C)SCCC(C)CCCC(C)C 62a_100000075568_100009816328 [0,1,0,0,0,0|2,0,0]=3 209 B16R0.6899 CC(=O)C(C)(C)SCCC(C)CCCC(C)C 62a_100009816328_100000075568 [0,1,0,0,0,0|2,0,0]=3 210 B16R0.6899 CC(C)CCCC(C)CCNC(C)(C)C(=O)N 2230a_100000743658_100009816328 [0,1,0,0,0,0|2,0,0]=3 211 B16R0.6899 CC(C)CCCC(C)CCNC(C)(C)C(=O)N 2230a_102516457229_100000702505 [0,1,0,0,0,0|2,0,0]=3 212 B16R0.6899 CC(C)CCCC(C)CCNC(C)(C)C(=O)N 34a_100000743658_100009816328 [0,1,0,0,0,0|2,0,0]=3 213 B16R0.6899 CC(C)CCCC(C)CCOC(C)(C)C(=O)N 34a_100000015991_100000702505 [0,1,0,0,0,0|2,0,0]=3 214 B16R0.6899 CC(C)CCCC(C)CCOC(C)(C)C(=O)N 34a_100011626353_100009816328 [0,1,0,0,0,0|2,0,0]=3 215 B16R0.6899 CC(C)CCCC(C)CCOC(C)(C)C(=O)N 7a_100000015991_100000702505 [0,1,0,0,0,0|2,0,0]=3 216 B16R0.6899 CC(C)CCCC(C)CCOC(C)(C)C(=O)N 7a_100011626353_100009816328 [0,1,0,0,0,0|2,0,0]=3 217 B16R0.6899 CC(C)CCCC(C)CCOC(F)(F)C(=O)N 7a_100000015991_100009811971 [0,1,0,0,0,0|3,0,0]=4 218 B16R0.6899 CC(C)CCCC(C)CCOC(F)(F)C(=O)[O-] 34a_100000015991_100020612412 [0,1,0,0,0,0|2,0,1]=4 219 B16R0.6899 CC(C)CCCC(C)CCSC(C)(C)C(=O)N 62a_100000702505_100009816328 [0,1,0,0,0,0|2,0,0]=3 220 B16R0.6899 CC(C)CCCC(C)CCSC(C)(C)C(=O)N 62a_100009816328_100000702505 [0,1,0,0,0,0|2,0,0]=3 221 B16R0.6899 CC(C)CCCC(C)CCSC(C)(C)[N+](=O)[O-] 62a_100009816328_200009813997 [0,1,0,0,0,0|2,0,1]=4 222 B16R0.6899 CC(C)CCCC(C)CCSC(C)(C)[N+](=O)[O-] 62a_200009813997_100009816328 [0,1,0,0,0,0|2,0,1]=4 223 B16R0.6899 CC(C)CCCC(C)CCSC(F)(F)C(=O)N 62a_100009811971_100009816328 [0,1,0,0,0,0|3,0,0]=4 224 B16R0.6899 CC(C)CCCC(C)CCSC(F)(F)C(=O)N 62a_100009816328_100009811971 [0,1,0,0,0,0|3,0,0]=4 225 B16R0.6899 CC(C)CCCC(C)CCSC(F)(F)C(=O)[O-] 62a_100000745680_100009816328 [0,1,0,0,0,0|2,0,1]=4 226 B16R0.6899 CC(C)CCCC(C)CCSC(F)(F)C(=O)[O-] 62a_100009816328_100000745680 [0,1,0,0,0,0|2,0,1]=4 227 B16R1.597 CC(=O)C(C)COCC1CCN(C1)C(C)C 34a_100000032740_100015187125 [0,0,0,1,0,0|3,0,0]=4 228 B16R1.597 CC(C)N1CCC(C1)CNCC(F)C(=O)O 269956a_100000084737_100015187125 [0,0,0,1,0,0|3,0,0]=4 229 B16R1.597 CC(CNCC1CCN(C1)C(C)C)C(=O)O 269956a_100000749485_100015187125 [0,0,0,1,0,0|2,0,0]=3 230 B16R1.1091 CC(C)CCCC(C)N1CCC(C(C1)O)C 270004a_100000696640_100000753411 [0,0,0,1,0,0|2,0,1]=4 231 B16R1.1091 CC(C)CCCC(C)N1CCN(C(=O)C1)C 270004a_100000187256_100000753411 [0,0,0,1,0,0|3,0,0]=4 232 B16R1.7092 CC(C)CCCC(C)NC1CC(=O)N(C1)C 270004a_100000748898_100000753411 [0,0,0,1,0,0|3,0,0]=4 233 B16R1.7092 CC1=CC(OC1=O)NC(C)CCCC(C)C 2230a_100000210607_200009893386 [0,0,0,1,0,0|1,0,2]=4 234 B16R1.10963 CC(C)CCCC(C)CCN1C[C@@H]([C@@H]1C)O 2230a_206633788156_100009816328 [0,0,0,1,0,0|2,0,1]=4 235 B16R1.10963 CC(C)CCCC(C)CCN1C[C@@H]([C@@H]1C)O 269982a_206633788156_100009816328 [0,0,0,1,0,0|2,0,1]=4 236 B16R1.11261 CC1CCCC(C1CCC(C)N(C)C)(C)C 270004a_100102631434_100000039614 [0,0,0,1,0,0|3,0,0]=4 237 B16R1.11302 CC(C)CCCC(C)CCOC1CCC1=O 34a_100000015991_100009892977 [0,0,0,1,0,0|2,0,0]=3 238 B16R1.11302 CC(C)CCCC(C)CCOC1CCC1=O 7a_100000015991_100009892977 [0,0,0,1,0,0|2,0,0]=3 239 B16R1.11302 CC(C)CCCC(C)CCSC1CCC1=O 62a_100009816328_100009892977 [0,0,0,1,0,0|2,0,0]=3 240 B16R1.11302 CC(C)CCCC(C)CCSC1CCC1=O 62a_100009892977_100009816328 [0,0,0,1,0,0|2,0,0]=3 241 B16R1.11302 CC(C)CCCC(C)NCCC1CCC1=O 2230a_100000210607_200016118888 [0,0,0,1,0,0|2,0,0]=3 242 B16R1.11302 CC(C)CCCC(C)OCCC1CCC1=O 7a_200011218570_200016118888 [0,0,0,1,0,0|2,0,0]=3 243 B16R1.11435 C=C(C)C(C)N[C@@H]1C[C@@H](CC[C@H]1C(C)C)C 269862a_100025773825_100011216138 [0,0,0,1,0,0|3,0,0]=4 244 B16R1.11435 CC(=O)C(C)N[C@@H]1C[C@@H](CC[C@H]1C(C)C)C 2230a_100025773825_100009814033 [0,0,0,1,0,0|2,0,0]=3 245 B16R1.11435 CC(=O)C(C)O[C@H]1C[C@H](CC[C@@H]1C(C)C)C 34a_100000212229_200009893639 [0,0,0,1,0,0|2,0,0]=3 246 B16R1.11435 CC(=O)C(C)O[C@H]1C[C@H](CC[C@@H]1C(C)C)C 7a_100000763588_100000179758 [0,0,0,1,0,0|2,0,0]=3 247 B16R1.11435 CC(=O)C(C)S[C@H]1C[C@H](CC[C@@H]1C(C)C)C 62a_100009814033_200009893639 [0,0,0,1,0,0|2,0,0]=3 248 B16R1.11435 CC(=O)C(C)S[C@H]1C[C@H](CC[C@@H]1C(C)C)C 62a_200009893639_100009814033 [0,0,0,1,0,0|2,0,0]=3 249 B16R1.11435 CC(C)[C@@H]1CC[C@H](C[C@H]1NC(F)C(=O)N)C 2230a_100025773825_100009813875 [0,0,0,1,0,0|3,0,0]=4 250 B16R1.11435 CC(C)[C@@H]1CC[C@H](C[C@H]1NC(F)C(=O)N)C 34a_100025773825_100009813875 [0,0,0,1,0,0|3,0,0]=4 251 B16R1.11435 CC(C)[C@@H]1CC[C@H](C[C@H]1NC(F)C(=O)[O-])C 34a_100025773825_100020610796 [0,0,0,1,0,0|2,0,1]=4 252 B16R1.11435 CC(C)[C@H]1CC[C@@H](C[C@@H]1N[C@@H](C)C(=O)O)C 269956a_100000743915_200009893639 [0,0,0,1,0,0|1,0,0]=2 253 B16R1.11435 CC(C)[C@H]1CC[C@@H](C[C@@H]1N[C@H](C)C(=O)N)C 34a_100000119354_200009893639 [0,0,0,1,0,0|2,0,0]=3 254 B16R1.11435 CC(C)[C@H]1CC[C@@H](C[C@@H]1OC(F)C(=O)N)C 34a_100000763588_100009813875 [0,0,0,1,0,0|3,0,0]=4 255 B16R1.11435 CC(C)[C@H]1CC[C@@H](C[C@@H]1OC(F)C(=O)N)C 7a_100000763588_100009813875 [0,0,0,1,0,0|3,0,0]=4 256 B16R1.11435 CC(C)[C@H]1CC[C@@H](C[C@@H]1OC(F)C(=O)[O-])C 34a_100000763588_100020610796 [0,0,0,1,0,0|2,0,1]=4 257 B16R1.11435 CC(C)[C@H]1CC[C@@H](C[C@@H]1O[C@H](C)C(=O)N)C 34a_100000731257_200009893639 [0,0,0,1,0,0|2,0,0]=3 258 B16R1.11435 CC(C)[C@H]1CC[C@@H](C[C@@H]1SC(F)C(=O)N)C 62a_100009813875_200009893639 [0,0,0,1,0,0|3,0,0]=4 259 B16R1.11435 CC(C)[C@H]1CC[C@@H](C[C@@H]1SC(F)C(=O)N)C 62a_200009893639_100009813875 [0,0,0,1,0,0|3,0,0]=4 260 B16R1.11435 CC(C)[C@H]1CC[C@@H](C[C@@H]1SC(F)C(=O)[O-])C 62a_100020610796_200009893639 [0,0,0,1,0,0|2,0,1]=4 261 B16R1.11435 CC(C)[C@H]1CC[C@@H](C[C@@H]1SC(F)C(=O)[O-])C 62a_200009893639_100020610796 [0,0,0,1,0,0|2,0,1]=4 262 B16R1.11435 CC(N[C@@H]1C[C@@H](CC[C@H]1C(C)C)C)C(=O)N 2230a_100025773825_100000702099 [0,0,0,1,0,0|2,0,0]=3 263 B16R1.11435 CC(N[C@@H]1C[C@@H](CC[C@H]1C(C)C)C)C(=O)N 34a_100025773825_100000702099 [0,0,0,1,0,0|2,0,0]=3 264 B16R1.11435 CC(O[C@H]1C[C@H](CC[C@@H]1C(C)C)C)C(=O)N 34a_100000763588_100000702099 [0,0,0,1,0,0|2,0,0]=3 265 B16R1.11435 CC(O[C@H]1C[C@H](CC[C@@H]1C(C)C)C)C(=O)N 7a_100000763588_100000702099 [0,0,0,1,0,0|2,0,0]=3 266 B16R1.11435 CC(S[C@H]1C[C@H](CC[C@@H]1C(C)C)C)C(=O)N 62a_100000702099_200009893639 [0,0,0,1,0,0|2,0,0]=3 267 B16R1.11435 CC(S[C@H]1C[C@H](CC[C@@H]1C(C)C)C)C(=O)N 62a_200009893639_100000702099 [0,0,0,1,0,0|2,0,0]=3 268 B16R1.12370 CC(C)CCCC(C)N1CCC(C1)C(=O)N 270004a_100000752358_100000753411 [0,0,0,1,0,0|2,0,0]=3 269 B16R1.12370 CC(C)OCCC(C)N1CCC(C1)C(=O)N 270004a_100000752358_200011219172 [0,0,0,1,0,0|3,0,0]=4 270 B16R1.40770 CC(=O)N(C)[C@H]1CCN(C1)CCCC(C)C 2230a_100020642128_100011214892 [0,0,0,1,0,0|3,0,0]=4 271 B16R1.40770 CC(=O)N(C)[C@H]1CCN(C1)CCCC(C)C 269982a_100020642128_100011214892 [0,0,0,1,0,0|3,0,0]=4 272 B16R1.57979 CC(C)CCCC(C)CCNC(C)C1CO1 270004a_102516457229_100000031964 [0,0,0,1,0,0|2,0,1]=4 273 B16R1.58009 CC(=O)N1CC(C1)NC(C)CCCC(C)C 270004a_100102955437_100000753411 [0,0,0,1,0,0|3,0,0]=4 274 B16R1.81228 CC(=CCCN1CCCC(CC1)C(=O)O)C 269956a_100000134118_100011217483 [0,0,0,1,0,0|1,0,2]=4 275 B16R1.81228 CC(=O)CCCN1CCCC(CC1)C(=O)O 269956a_100000134118_100011215641 [0,0,0,1,0,0|2,0,1]=4 276 B16R1.81228 CC(=O)N1CCCN(CC1)CCCC(C)C 2230a_100000233754_100011214892 [0,0,0,1,0,0|3,0,0]=4 277 B16R1.81228 CC(=O)N1CCCN(CC1)CCCC(C)C 269982a_100000233754_100011214892 [0,0,0,1,0,0|3,0,0]=4 278 B16R1.81228 CC(C)CCCN1CCCC(CC1)C(=O)O 269956a_100000134118_100011214892 [0,0,0,1,0,0|1,0,0]=2 279 B16R1.81228 CC(C)OCCN1CCCC(CC1)C(=O)O 269956a_100000134118_100000211751 [0,0,0,1,0,0|2,0,0]=3 280 B16R1.81228 CC(C)SCCN1CCCC(CC1)C(=O)O 269956a_100000134118_100000730970 [0,0,0,1,0,0|2,0,0]=3 281 B16R1.81228 CC(O)CCCN1CCCC(CC1)C(=O)O 269956a_100000134118_200000718107 [0,0,0,1,0,0|2,0,0]=3 282 B16R1.81228 CN(C)CCCN1CCCC(CC1)C(=O)O 269956a_100000134118_100000757444 [0,0,0,1,0,0|2,0,0]=3 283 B16R0.206 CC(=O)OC(C)SCCC(C)CCCC(C)C 62a_100009816328_100009818208 [0,0,0,0,0,1|2,0,0]=3 284 B16R0.206 CC(=O)OC(C)SCCC(C)CCCC(C)C 62a_100009818208_100009816328 [0,0,0,0,0,1|2,0,0]=3 285 B16R0.2249 CC(=CCCC(C)CCNCC(C)C(=O)O)C 269956a_100000749485_100009814015 [0,0,0,0,0,1|0,0,2]=3 286 B16R0.2249 CC(=CCCC(C)CCNCC(F)C(=O)O)C 269956a_100000084737_100009814015 [0,0,0,0,0,1|1,0,2]=4 287 B16R0.2249 CC(=O)C(=O)COCCC(C)CCCC(C)C 34a_100000015991_100011261029 [0,0,0,0,0,1|2,0,1]=4 288 B16R0.2249 CC(=O)C(=O)CSCCC(C)CCCC(C)C 62a_100009816328_100011261029 [0,0,0,0,0,1|2,0,1]=4 289 B16R0.2249 CC(=O)C(=O)CSCCC(C)CCCC(C)C 62a_100011261029_100009816328 [0,0,0,0,0,1|2,0,1]=4 290 B16R0.2249 CC(=O)C(C)COCCC(C)CCC=C(C)C 34a_100000032740_100009814015 [0,0,0,0,0,1|1,0,2]=4 291 B16R0.2249 CC(=O)C(C)COCCC(C)CCC=C(C)C 7a_100000032740_100009814015 [0,0,0,0,0,1|1,0,2]=4 292 B16R0.2249 CC(=O)C(C)COCCC(C)CCCC(C)C 34a_100000032740_100009816328 [0,0,0,0,0,1|1,0,0]=2 293 B16R0.2249 CC(=O)C(C)COCCC(C)CCCC(C)C 7a_100000032740_100009816328 [0,0,0,0,0,1|1,0,0]=2 294 B16R0.2249 CC(C)CCCC(C)CCNCC(C)C(=O)O 269956a_100000749485_100009816328 [0,0,0,0,0,1|0,0,0]=1 295 B16R0.2249 CC(C)CCCC(C)CCNCC(F)C(=O)O 269956a_100000084737_100009816328 [0,0,0,0,0,1|1,0,0]=2 296 B16R0.2249 CC(C)CCCC(C)CCOCC(C)[N+](=O)[O-] 34a_100000039676_100009816328 [0,0,0,0,0,1|1,0,1]=3 297 B16R0.2249 CC(C)CCCC(C)CCOCC(C)[N+](=O)[O-] 7a_100000039676_100009816328 [0,0,0,0,0,1|1,0,1]=3 298 B16R0.2249 CC(C)CCCC(C)CCOC[C@H](N)C(=O)N 34a_100000729942_100009816328 [0,0,0,0,0,1|2,0,0]=3 299 B13R0.1 C=CCCCCN(C)CCCC(C)C 2230a_100012000471_100011214892 [2,0,0,0,0,0|2,0,0]=4 300 B13R0.1 C=CCCCCN(C)CCCC(C)C 269982a_100012000471_100011214892 [2,0,0,0,0,0|2,0,0]=4 301 B13R0.1 C=CCCCNC(C)CCCC(C)C 2230a_100000210607_100011713584 [2,0,0,0,0,0|2,0,0]=4 302 B13R0.1 C=CCCCNC(C)CCCC(C)C 270004a_100000700776_100000753411 [2,0,0,0,0,0|2,0,0]=4 303 B13R0.1 C=CCCCOC(C)CCCC(C)C 34a_200011218570_100000757094 [2,0,0,0,0,0|2,0,0]=4 304 B13R0.1 C=CCCCOC(C)CCCC(C)C 7a_200011218570_100000757094 [2,0,0,0,0,0|2,0,0]=4 305 B13R0.1 C=CCNCCC(C)CCCC(C)C 2230a_100020586998_100009816328 [2,0,0,0,0,0|2,0,0]=4 306 B13R0.1 C=CCNCCC(C)CCCC(C)C 2230a_102516457229_100000210623 [2,0,0,0,0,0|2,0,0]=4 307 B13R0.1 C=CCOCCC(C)CCCC(C)C 34a_100000015991_100015514636 [2,0,0,0,0,0|2,0,0]=4 308 B13R0.1 C=CCOCCC(C)CCCC(C)C 34a_200000210373_100009816328 [2,0,0,0,0,0|2,0,0]=4 309 B13R0.1 C=CCOCCC(C)CCCC(C)C 7a_100000015991_100015514636 [2,0,0,0,0,0|2,0,0]=4 310 B13R0.1 C=CCSCCC(C)CCCC(C)C 62a_100000210623_100009816328 [2,0,0,0,0,0|2,0,0]=4 311 B13R0.1 C=CCSCCC(C)CCCC(C)C 62a_100009816328_100000210623 [2,0,0,0,0,0|2,0,0]=4 312 B13R0.1 CC(C)CCCC(C)CCNCC=O 2230a_102516457229_200015260668 [2,0,0,0,0,0|1,0,0]=3 313 B13R0.1 CC(C)CCCC(C)CCNCCO 2230a_100016997473_100009816328 [2,0,0,0,0,0|1,0,1]=4 314 B13R0.1 CC(C)CCCC(C)CCNCCO 2230a_102516457229_100000211926 [2,0,0,0,0,0|1,0,1]=4 315 B13R0.1 CC(C)CCCC(C)CCNCCO 34a_100016990907_100009816328 [2,0,0,0,0,0|1,0,1]=4 316 B13R0.1 CC(C)CCCC(C)CCOCC=O 34a_100000015991_200009817547 [2,0,0,0,0,0|1,0,0]=3 317 B13R0.1 CC(C)CCCC(C)CCOCC=O 7a_100000015991_200015260668 [2,0,0,0,0,0|1,0,0]=3 318 B13R0.1 CC(C)CCCC(C)CCOCCO 34a_100000015991_100000211926 [2,0,0,0,0,0|1,0,1]=4 319 B13R0.1 CC(C)CCCC(C)CCOCCO 7a_100000015991_100000211926 [2,0,0,0,0,0|1,0,1]=4 320 B13R0.1 CC(C)CCCC(C)CCSCC=O 62a_100009816328_200015260668 [2,0,0,0,0,0|1,0,0]=3 321 B13R0.1 CC(C)CCCC(C)CCSCC=O 62a_200015260668_100009816328 [2,0,0,0,0,0|1,0,0]=3 322 B13R0.1 CC(C)CCCC(C)CCSCCO 62a_100000211926_100009816328 [2,0,0,0,0,0|1,0,1]=4 323 B13R0.1 CC(C)CCCC(C)CCSCCO 62a_100009816328_100000211926 [2,0,0,0,0,0|1,0,1]=4 324 B13R0.1 CC(C)CCCC(C)NCCCC=O 2230a_100000210607_200011292268 [2,0,0,0,0,0|1,0,0]=3 325 B13R0.1 CC(C)CCCC(C)NCCCCO 2230a_100000210607_100000210776 [2,0,0,0,0,0|1,0,1]=4 326 B13R0.1 CC(C)CCCC(C)NCCCCO 270004a_100000750430_100000753411 [2,0,0,0,0,0|1,0,1]=4 327 B13R0.1 CC(C)CCCC(C)OCCCC=O 7a_200011218570_200011292268 [2,0,0,0,0,0|1,0,0]=3 328 B13R0.1 CC(C)CCCC(C)OCCCCO 34a_200011218570_100011216708 [2,0,0,0,0,0|1,0,1]=4 329 B13R0.1 CC(C)CCCC(C)OCCCCO 7a_200011218570_100000210776 [2,0,0,0,0,0|1,0,1]=4 330 B13R0.1 CC(C)CCCN(C)CCCCCO 2230a_100000722520_100011214892 [2,0,0,0,0,0|1,0,1]=4 331 B13R0.1 CC(C)CCCN(C)CCCCCO 269982a_100000722520_100011214892 [2,0,0,0,0,0|1,0,1]=4 332 B13R0.1 CN(C)CCCN(C)CCCCC=O 269982a_100000225831_100000139335 [2,0,0,0,0,0|2,0,0]=4 333 B13R0.179 CC(=O)CCCCNCCCC(C)C 34a_200000737386_100009817362 [2,0,0,0,0,0|2,0,0]=4 334 B13R0.179 CC(=O)CCCCOCCCC(C)C 34a_100000210774_100009817362 [2,0,0,0,0,0|2,0,0]=4 335 B13R0.179 CC(=O)CCCCOCCCC(C)C 7a_100000210774_100000735457 [2,0,0,0,0,0|2,0,0]=4 336 B13R0.179 CC(=O)CCCCSCCCC(C)C 62a_100000735457_100011214892 [2,0,0,0,0,0|2,0,0]=4 337 B13R0.179 CC(=O)CCCCSCCCC(C)C 62a_100011214892_100000735457 [2,0,0,0,0,0|2,0,0]=4 338 B13R0.179 CC(=O)CCCOCCCCC(C)C 34a_100000759063_100011216152 [2,0,0,0,0,0|2,0,0]=4 339 B13R0.179 CC(=O)CCCOCCCCC(C)C 34a_100011214890_100000685027 [2,0,0,0,0,0|2,0,0]=4 340 B13R0.179 CC(=O)CCCOCCCCC(C)C 7a_100000759063_100011216152 [2,0,0,0,0,0|2,0,0]=4 341 B13R0.179 CC(=O)CCCOCCCCC(C)C 7a_100011214890_100011215641 [2,0,0,0,0,0|2,0,0]=4 342 B13R0.179 CC(=O)CCCSCCCCC(C)C 62a_100011215641_100011216152 [2,0,0,0,0,0|2,0,0]=4 343 B13R0.179 CC(=O)CCCSCCCCC(C)C 62a_100011216152_100011215641 [2,0,0,0,0,0|2,0,0]=4 344 B13R0.179 CC(=O)CCOCCCCCC(C)C 34a_100000759926_100000210682 [2,0,0,0,0,0|2,0,0]=4 345 B13R0.179 CC(=O)CCOCCCCCC(C)C 7a_100000759926_100000210682 [2,0,0,0,0,0|2,0,0]=4 346 B13R0.179 CC(=O)CCOCCCCCC(C)C 7a_100011995859_100000053229 [2,0,0,0,0,0|2,0,0]=4 347 B13R0.179 CC(=O)CCSCCCCCC(C)C 62a_100000053229_100000210682 [2,0,0,0,0,0|2,0,0]=4 348 B13R0.179 CC(=O)CCSCCCCCC(C)C 62a_100000210682_100000053229 [2,0,0,0,0,0|2,0,0]=4 349 B13R0.179 CC(C)CCCCCCNCC(=O)N 2230a_100000211014_100000747473 [2,0,0,0,0,0|2,0,0]=4 350 B13R0.179 CC(C)CCCCCCNCC(=O)N 34a_100000211014_100000187820 [2,0,0,0,0,0|2,0,0]=4 351 B13R0.179 CC(C)CCCCCCNCC(=O)[O-] 34a_100000211014_100020667443 [2,0,0,0,0,0|1,0,1]=4 352 B13R0.179 CC(C)CCCCCNCCC(=O)N 2230a_100011290863_100000744528 [2,0,0,0,0,0|2,0,0]=4 353 B13R0.179 CC(C)CCCCCNCCC(=O)N 34a_100011290863_100000731001 [2,0,0,0,0,0|2,0,0]=4 354 B13R0.179 CC(C)CCCCCNOCC(=O)O 269956a_100000106656_100000210682 [2,0,0,0,0,0|2,0,0]=4 355 B13R0.179 CC(C)CCCCCOCCC(=O)N 34a_100000757172_100000210682 [2,0,0,0,0,0|2,0,0]=4 356 B13R0.179 CC(C)CCCCCOCCC(=O)N 34a_100011995859_100000731001 [2,0,0,0,0,0|2,0,0]=4 357 B13R0.179 CC(C)CCCCCOCCC(=O)N 7a_100000757172_100000210682 [2,0,0,0,0,0|2,0,0]=4 358 B13R0.179 CC(C)CCCCCOCCC(=O)N 7a_100011995859_100000744528 [2,0,0,0,0,0|2,0,0]=4 359 B13R0.179 CC(C)CCCCCSCCC(=O)N 62a_100000210682_100000744528 [2,0,0,0,0,0|2,0,0]=4 360 B13R0.179 CC(C)CCCCCSCCC(=O)N 62a_100000744528_100000210682 [2,0,0,0,0,0|2,0,0]=4 361 B13R0.179 CC(C)CCCCNCCCC(=O)N 34a_100000739312_100011216152 [2,0,0,0,0,0|2,0,0]=4 362 B13R0.179 CC(C)CCCCOCCCC(=O)N 34a_100011214890_100102525003 [2,0,0,0,0,0|2,0,0]=4 363 B13R0.179 CC(C)CCCCOCCCC(=O)N 7a_100011214890_100102525003 [2,0,0,0,0,0|2,0,0]=4 364 B13R0.179 CC(C)CCCCSCCCC(=O)N 62a_100011216152_100102525003 [2,0,0,0,0,0|2,0,0]=4 365 B13R0.179 CC(C)CCCCSCCCC(=O)N 62a_100102525003_100011216152 [2,0,0,0,0,0|2,0,0]=4 366 B13R0.179 CC(C)CCCNCCCCC(=O)N 34a_100000696515_100011214892 [2,0,0,0,0,0|2,0,0]=4 367 B13R0.179 CC(C)CCCNCCOCC(=O)O 269956a_100000700818_100011214892 [2,0,0,0,0,0|2,0,0]=4 368 B13R0.179 CC(C)CCCOCCCCC(=O)N 34a_100012022536_100011214892 [2,0,0,0,0,0|2,0,0]=4 369 B13R0.179 CC(C)CCCOCCCCC(=O)N 7a_100012022536_100011214892 [2,0,0,0,0,0|2,0,0]=4 370 B13R0.179 CC(C)CCOCCCCCC(=O)N 34a_100000123541_100000210312 [2,0,0,0,0,0|2,0,0]=4 371 B13R0.179 CC(C)CCOCCCCCC(=O)N 34a_100000210254_100009817443 [2,0,0,0,0,0|2,0,0]=4 372 B13R0.179 CC(C)CCOCCCCCC(=O)N 7a_100000123541_100000210626 [2,0,0,0,0,0|2,0,0]=4 373 B13R0.179 CC(C)CCOCCCCCC(=O)N 7a_100000210254_100009817443 [2,0,0,0,0,0|2,0,0]=4 374 B13R0.179 CC(C)CCOCCCCCC(=O)[O-] 7a_100102619762_100000210626 [2,0,0,0,0,0|1,0,1]=4 375 B13R0.179 CC(C)CCSCCCCCC(=O)N 62a_100000210312_100009817443 [2,0,0,0,0,0|2,0,0]=4 376 B13R0.179 CC(C)CCSCCCCCC(=O)N 62a_100009817443_100000210312 [2,0,0,0,0,0|2,0,0]=4 377 B13R0.188 CCCCCC(C)NCCCC(=O)N 34a_100000739312_200011218191 [2,0,0,0,0,0|2,0,0]=4 378 B13R0.188 CCCCCC(C)OCCCC(=O)C 34a_100000759063_200011218191 [2,0,0,0,0,0|2,0,0]=4 379 B13R0.188 CCCCCC(C)OCCCC(=O)C 34a_100011215632_100000685027 [2,0,0,0,0,0|2,0,0]=4 380 B13R0.188 CCCCCC(C)OCCCC(=O)C 7a_100000759063_200011218191 [2,0,0,0,0,0|2,0,0]=4 381 B13R0.188 CCCCCC(C)OCCCC(=O)C 7a_100011215632_100011215641 [2,0,0,0,0,0|2,0,0]=4 382 B13R0.188 CCCCCC(C)OCCCC(=O)N 34a_100011215632_100102525003 [2,0,0,0,0,0|2,0,0]=4 383 B13R0.188 CCCCCC(C)OCCCC(=O)N 7a_100011215632_100102525003 [2,0,0,0,0,0|2,0,0]=4 384 B13R0.188 CCCCCC(C)SCCCC(=O)C 62a_100011215641_200011218191 [2,0,0,0,0,0|2,0,0]=4 385 B13R0.188 CCCCCC(C)SCCCC(=O)C 62a_200011218191_100011215641 [2,0,0,0,0,0|2,0,0]=4 386 B13R0.188 CCCCCC(C)SCCCC(=O)N 62a_100102525003_200011218191 [2,0,0,0,0,0|2,0,0]=4 387 B13R0.188 CCCCCC(C)SCCCC(=O)N 62a_200011218191_100102525003 [2,0,0,0,0,0|2,0,0]=4 388 B13R0.188 CCCCCN(C)CCCCC(=O)C 269982a_100000223495_100000735457 [2,0,0,0,0,0|2,0,0]=4 389 B13R0.150 CC(CNCCCCCCF)C(=O)O 269956a_100000749485_100015922095 [2,0,0,0,0,0|2,0,0]=4 390 B13R0.150 CC(CNCCCCCCO)C(=O)O 269956a_100000749485_100000766143 [2,0,0,0,0,0|2,0,0]=4 391 B13R0.150 CCCCCCCCCN(C)C(=O)C 11a_100000232482_100015343762 [2,0,0,0,0,0|2,0,0]=4 392 B13R0.150 CCCCCCCCCN(C)C(=O)C 1626a_100000232482_100015343762 [2,0,0,0,0,0|2,0,0]=4 393 B13R0.150 CCCCCCCCCN(C)C(=O)C 240690a_100000232482_100015343762 [2,0,0,0,0,0|2,0,0]=4 394 B13R0.150 CCCCCCCCCN(C)C(=O)C 527a_100000232482_100103153847 [2,0,0,0,0,0|2,0,0]=4 395 B13R0.150 CCCCCCCCNC(C)C(=O)C 2230a_100000229939_100009814033 [2,0,0,0,0,0|2,0,0]=4 396 B13R0.150 CCCCCCCCNC(C)C(=O)N 2230a_100000229939_100000702099 [2,0,0,0,0,0|2,0,0]=4 397 B13R0.150 CCCCCCCCNC(C)C(=O)N 34a_100000229939_100000702099 [2,0,0,0,0,0|2,0,0]=4 398 B13R0.150 CCCCCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210759 [2,0,0,0,0,0|1,0,0]=3 399 B13R0.150 CCCCCCCCN[C@H](C)C(=O)N 2230a_100000119354_100000210759 [2,0,0,0,0,0|2,0,0]=4 400 B13R0.150 CCCCCCCCN[C@H](C)C(=O)N 34a_100000119354_100000210759 [2,0,0,0,0,0|2,0,0]=4 401 B13R0.150 CCCCCCCCOC(C)C(=O)C 34a_100000212229_100000210759 [2,0,0,0,0,0|2,0,0]=4 402 B13R0.150 CCCCCCCCOC(C)C(=O)C 7a_100000210232_100000179758 [2,0,0,0,0,0|2,0,0]=4 403 B13R0.150 CCCCCCCCOC(C)C(=O)N 34a_100000210232_100000702099 [2,0,0,0,0,0|2,0,0]=4 404 B13R0.150 CCCCCCCCOC(C)C(=O)N 7a_100000210232_100000702099 [2,0,0,0,0,0|2,0,0]=4 405 B13R0.150 CCCCCCCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210759 [2,0,0,0,0,0|1,0,1]=4 406 B13R0.150 CCCCCCCCO[C@H](C)C(=O)N 34a_100000731257_100000210759 [2,0,0,0,0,0|2,0,0]=4 407 B13R0.150 CCCCCCCCO[C@H](C)C(=O)N 7a_100000731257_100000210759 [2,0,0,0,0,0|2,0,0]=4 408 B13R0.150 CCCCCCCCSC(C)C(=O)C 62a_100000210759_100009814033 [2,0,0,0,0,0|2,0,0]=4 409 B13R0.150 CCCCCCCCSC(C)C(=O)C 62a_100009814033_100000210317 [2,0,0,0,0,0|2,0,0]=4 410 B13R0.150 CCCCCCCCSC(C)C(=O)N 62a_100000210759_100000702099 [2,0,0,0,0,0|2,0,0]=4 411 B13R0.150 CCCCCCCCSC(C)C(=O)N 62a_100000702099_100000210317 [2,0,0,0,0,0|2,0,0]=4 412 B13R0.150 CCCCCCCNCC(C)C(=O)O 269956a_100000749485_100000210614 [2,0,0,0,0,0|1,0,0]=3 413 B13R0.150 CCCCCCCNCC(F)C(=O)O 269956a_100000084737_100000210614 [2,0,0,0,0,0|2,0,0]=4 414 B13R0.150 CCCCCCCOCC(C)C(=O)C 34a_100000032740_100000210614 [2,0,0,0,0,0|2,0,0]=4 415 B13R0.150 CCCCCCCOCC(C)C(=O)C 7a_100000032740_100000210614 [2,0,0,0,0,0|2,0,0]=4 416 B13R0.150 CCCCOCCNCC(C)C(=O)O 269956a_100000749485_100000743108 [2,0,0,0,0,0|2,0,0]=4 417 B13R0.150 COCCCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100011998445 [2,0,0,0,0,0|2,0,0]=4 418 B13R0.150 C[C@H](NCCCCCCCO)C(=O)O 269956a_100000743915_100000760002 [2,0,0,0,0,0|2,0,0]=4 419 B13R0.194 CCCCCC(C)NCCC(C)CO 2230a_106354213184_200011218191 [2,0,0,0,0,0|1,0,1]=4 420 B13R0.194 CCCCCC(C)NCCC(C)CO 270004a_106354213184_100000211708 [2,0,0,0,0,0|1,0,1]=4 421 B13R0.194 CCCCCC(C)NCCC(C)CO 34a_106354213184_200011218191 [2,0,0,0,0,0|1,0,1]=4 422 B13R0.202 C=CC(C)COCCCCCC(C)C 34a_100011215527_100000210682 [2,0,0,0,0,0|2,0,0]=4 423 B13R0.202 C=CC(C)COCCCCCC(C)C 7a_100011215527_100000210682 [2,0,0,0,0,0|2,0,0]=4 424 B13R0.202 CC(C)CCCCCCNC(C)CO 2230a_100000211014_100012180447 [2,0,0,0,0,0|1,0,1]=4 425 B13R0.202 CC(C)CCCCCCNC(C)CO 34a_100000211014_100012180447 [2,0,0,0,0,0|1,0,1]=4 426 B13R0.202 CC(C)CCCCCNCC(C)CO 34a_100000744482_100000210682 [2,0,0,0,0,0|1,0,1]=4 427 B13R0.202 CC(C)CCCCCNC[C@@H](C)CO 2230a_100011290863_100000059175 [2,0,0,0,0,0|1,0,1]=4 428 B13R0.202 CC(C)CCCCCNC[C@@H](C)CO 34a_100011290863_100000059175 [2,0,0,0,0,0|1,0,1]=4 429 B13R0.202 CC(C)CCCCCOC[C@@H](C)CO 34a_100011995859_100000059175 [2,0,0,0,0,0|1,0,1]=4 430 B13R0.202 CC(C)CCCCCOC[C@@H](C)CO 7a_100011995859_100000059175 [2,0,0,0,0,0|1,0,1]=4 431 B13R0.202 CC(C)CCCCCSC[C@@H](C)CO 62a_100000059175_100000210682 [2,0,0,0,0,0|1,0,1]=4 432 B13R0.202 CC(C)CCCCCSC[C@@H](C)CO 62a_100000210682_100000059175 [2,0,0,0,0,0|1,0,1]=4 433 B13R0.202 CC(C)CCCCNCCC(C)CO 2230a_106354213184_100011216152 [2,0,0,0,0,0|1,0,1]=4 434 B13R0.202 CC(C)CCCCNCCC(C)CO 34a_106354213184_100011216152 [2,0,0,0,0,0|1,0,1]=4 435 B13R0.1398 C=C(C)CCNC(C)CCCC(C)C 2230a_100000210607_100000730704 [2,0,0,0,0,0|1,0,1]=4 436 B13R0.1398 C=C(C)CCOC(C)CCCC(C)C 34a_200011218570_100000730704 [2,0,0,0,0,0|1,0,1]=4 437 B13R0.1398 C=C(C)CCOC(C)CCCC(C)C 7a_200011218570_100000730704 [2,0,0,0,0,0|1,0,1]=4 438 B13R0.1398 CC(=O)CCOC(C)CCCC(C)C 7a_200011218570_100000053229 [2,0,0,0,0,0|1,0,1]=4 439 B13R0.1398 CC(=O)NCCC(C)CCCC(C)C 1626a_102516457229_100015343762 [2,0,0,0,0,0|1,0,1]=4 440 B13R0.1398 CC(=O)NCCC(C)CCCC(C)C 240690a_102516457229_100015343762 [2,0,0,0,0,0|1,0,1]=4 441 B13R0.1398 CC(=O)NCCC(C)CCCC(C)C 527a_102516457229_100103153847 [2,0,0,0,0,0|1,0,1]=4 442 B13R0.1398 CC(C)CCCC(=O)CCCC(C)O 1458a_100011216857_200000718107 [2,0,0,0,0,0|1,0,1]=4 443 B13R0.1398 CC(C)CCCC(C)CCNC(C)C 2230a_100138425928_100009816328 [2,0,0,0,0,0|1,0,1]=4 444 B13R0.1398 CC(C)CCCC(C)CCNC(C)C 2230a_102516457229_100000210206 [2,0,0,0,0,0|1,0,1]=4 445 B13R0.1398 CC(C)CCCC(C)CCNC(C)C 34a_100138425928_100009816328 [2,0,0,0,0,0|1,0,1]=4 446 B13R0.1398 CC(C)CCCC(C)CCOC(C)C 34a_100000015991_100000210206 [2,0,0,0,0,0|1,0,1]=4 447 B13R0.1398 CC(C)CCCC(C)CCOC(C)C 34a_100000212225_100009816328 [2,0,0,0,0,0|1,0,1]=4 448 B13R0.1398 CC(C)CCCC(C)CCOC(C)C 7a_100000015991_100000210206 [2,0,0,0,0,0|1,0,1]=4 449 B13R0.1398 CC(C)CCCC(C)CCSC(C)C 62a_100000210206_100009816328 [2,0,0,0,0,0|1,0,1]=4 450 B13R0.1398 CC(C)CCCC(C)CCSC(C)C 62a_100009816328_100000210206 [2,0,0,0,0,0|1,0,1]=4 451 B13R0.1398 CC(C)CCCC(C)NCCC(C)C 2230a_100000210607_100000210312 [2,0,0,0,0,0|1,0,1]=4 452 B13R0.1398 CC(C)CCCC(C)NCCC(C)C 269862a_100000210607_100000185833 [2,0,0,0,0,0|1,0,1]=4 453 B13R0.1398 CC(C)CCCC(C)NCCC(C)C 270004a_100000210545_100000753411 [2,0,0,0,0,0|1,0,1]=4 454 B13R0.1398 CC(C)CCCC(C)NCCC(C)O 2230a_100000210607_100012276601 [2,0,0,0,0,0|1,0,0]=3 455 B13R0.1398 CC(C)CCCC(C)NCCC(C)O 270004a_200000755665_100000753411 [2,0,0,0,0,0|1,0,0]=3 456 B13R0.1398 CC(C)CCCC(C)OCCC(C)C 34a_200011218570_100000210312 [2,0,0,0,0,0|1,0,1]=4 457 B13R0.1398 CC(C)CCCC(C)OCCC(C)C 7a_200011218570_100000210626 [2,0,0,0,0,0|1,0,1]=4 458 B13R0.1398 CC(C)CCCC(C)OCCC(C)O 34a_200011218570_100012276601 [2,0,0,0,0,0|1,0,0]=3 459 B13R0.1398 CC(C)CCCC(C)OCCC(C)O 7a_200011218570_100012276601 [2,0,0,0,0,0|1,0,0]=3 460 B13R0.1398 CC(O)CCCN(C)CCCN(C)C 269982a_100000225831_200000718107 [2,0,0,0,0,0|2,0,0]=4 461 B13R0.1398 CC(O)CCNC(C)CCOC(C)C 270004a_200000755665_200011219172 [2,0,0,0,0,0|2,0,0]=4 462 B15R0.246 CCC(=O)COCCC(C)CCCC(C)C 34a_100000725409_100009816328 [1,1,0,0,0,0|2,0,0]=4 463 B15R0.246 CCC(=O)COCCC(C)CCCC(C)C 7a_100000015991_100000747405 [1,1,0,0,0,0|2,0,0]=4 464 B15R0.246 CCC(=O)CSCCC(C)CCCC(C)C 62a_100000747405_100009816328 [1,1,0,0,0,0|2,0,0]=4 465 B15R0.246 CCC(=O)CSCCC(C)CCCC(C)C 62a_100009816328_100000747405 [1,1,0,0,0,0|2,0,0]=4 466 B15R0.246 CNC(=O)CCCNC(C)CCCC(C)C 2230a_100000210607_100000741757 [1,1,0,0,0,0|2,0,0]=4 467 B15R0.246 CNC(=O)CCCNC(C)CCCC(C)C 270004a_100000740002_100000753411 [1,1,0,0,0,0|2,0,0]=4 468 B15R0.246 CNC(=O)CCCOC(C)CCCC(C)C 34a_200011218570_100000741757 [1,1,0,0,0,0|2,0,0]=4 469 B15R0.246 CNC(=O)CCCOC(C)CCCC(C)C 7a_200011218570_100000741757 [1,1,0,0,0,0|2,0,0]=4 470 B15R0.246 CNC(=O)CNCCC(C)CCCC(C)C 2230a_100000693194_100009816328 [1,1,0,0,0,0|2,0,0]=4 471 B15R0.246 CNC(=O)CNCCC(C)CCCC(C)C 2230a_102516457229_100000183359 [1,1,0,0,0,0|2,0,0]=4 472 B15R0.246 CNC(=O)COCCC(C)CCCC(C)C 34a_100000015991_100000183359 [1,1,0,0,0,0|2,0,0]=4 473 B15R0.246 CNC(=O)COCCC(C)CCCC(C)C 34a_100000750040_100009816328 [1,1,0,0,0,0|2,0,0]=4 474 B15R0.246 CNC(=O)COCCC(C)CCCC(C)C 7a_100000015991_100000183359 [1,1,0,0,0,0|2,0,0]=4 475 B15R0.246 CNC(=O)CSCCC(C)CCCC(C)C 62a_100000183359_100009816328 [1,1,0,0,0,0|2,0,0]=4 476 B15R0.246 CNC(=O)CSCCC(C)CCCC(C)C 62a_100009816328_100000183359 [1,1,0,0,0,0|2,0,0]=4 477 B15R0.246 COC(=O)CCCCC(=O)CCCC(C)C 1458a_100000695723_100011214892 [1,1,0,0,0,0|1,0,1]=4 478 B15R0.246 COC(=O)CCCCC(=O)CCCC(C)C 1458a_100011216857_100000204269 [1,1,0,0,0,0|1,0,1]=4 479 B15R0.246 COC(=O)CCCCN(C)CCCN(C)C 269982a_100000225831_100000204269 [1,1,0,0,0,0|2,0,0]=4 480 B15R0.246 COC(=O)CCCNC(C)CCCC(C)C 2230a_100000210607_100011218270 [1,1,0,0,0,0|1,0,0]=3 481 B15R0.246 COC(=O)CCCOC(C)CCCC(C)C 34a_200011218570_100000742333 [1,1,0,0,0,0|1,0,0]=3 482 B15R0.246 COC(=O)CCCOC(C)CCCC(C)C 7a_200011218570_100011218270 [1,1,0,0,0,0|1,0,0]=3 483 B15R0.246 COC(=O)CNCCC(C)CCCC(C)C 2230a_102516457229_100000747449 [1,1,0,0,0,0|1,0,0]=3 484 B15R0.246 COC(=O)COCCC(C)CCCC(C)C 34a_100000015991_100000747449 [1,1,0,0,0,0|1,0,0]=3 485 B15R0.246 COC(=O)COCCC(C)CCCC(C)C 7a_100000015991_100000747449 [1,1,0,0,0,0|1,0,0]=3 486 B15R0.246 COC(=O)CSCCC(C)CCCC(C)C 62a_100000747449_100009816328 [1,1,0,0,0,0|1,0,0]=3 487 B15R0.246 COC(=O)CSCCC(C)CCCC(C)C 62a_100009816328_100000747449 [1,1,0,0,0,0|1,0,0]=3 488 B15R0.2721 CC(C)CCCC(C)CCC(=O)CC(=O)N 1458a_100134613110_100009816328 [1,1,0,0,0,0|1,0,1]=4 489 B15R0.2721 CC(C)CCCC(C)CCN(C)CC(=O)N 2230a_100000739694_100009816328 [1,1,0,0,0,0|2,0,0]=4 490 B15R0.2721 CC(C)CCCC(C)CCN(C)CC(=O)O 269956a_100000746989_100009816328 [1,1,0,0,0,0|1,0,0]=3 491 B15R0.4060 CC(=O)CCCOC(C)(C)CCCC(C)C 7a_100011215742_100011215641 [1,1,0,0,0,0|2,0,0]=4 492 B15R0.4060 CC(C)CCCC(C)(C)OCCCC(=O)N 7a_100011215742_100102525003 [1,1,0,0,0,0|2,0,0]=4 493 B15R0.195 CCCCCCC(C)CCOC(C)C(=O)C 7a_200011024964_100000179758 [1,1,0,0,0,0|2,0,0]=4 494 B15R0.195 CCCCCCC(C)CCOC(C)C(=O)N 34a_200011024964_100000702099 [1,1,0,0,0,0|2,0,0]=4 495 B15R0.195 CCCCCCC(C)CCOC(C)C(=O)N 7a_200011024964_100000702099 [1,1,0,0,0,0|2,0,0]=4 496 B15R0.2206 CCCCCC(C)CCC(=O)C(C)C(=O)C 1458a_100000034243_100000179758 [1,1,0,0,0,0|1,0,1]=4 497 B15R0.2206 CCCCCC(C)CCC(=O)C(C)C(=O)N 1458a_100000034243_100000702099 [1,1,0,0,0,0|1,0,1]=4 498 B15R0.2208 CCCCCC(C)NCCC(C)C(=O)OC 2230a_100000211957_100000034942 [1,1,0,0,0,0|1,0,0]=3 499 B15R0.2208 CCCCCC(C)OCCC(C)C(=O)OC 34a_100011215632_100000034942 [1,1,0,0,0,0|1,0,0]=3 500 B15R0.2208 CCCCCC(C)OCCC(C)C(=O)OC 7a_100011215632_100000034942 [1,1,0,0,0,0|1,0,0]=3 501 B15R0.2208 CCCCCC(C)SCCC(C)C(=O)OC 62a_100000034942_200011218191 [1,1,0,0,0,0|1,0,0]=3 502 B15R0.2208 CCCCCC(C)SCCC(C)C(=O)OC 62a_200011218191_100000034942 [1,1,0,0,0,0|1,0,0]=3 503 B15R0.2208 COCCCC(C)OCCC(C)C(=O)OC 34a_200011539412_100000034942 [1,1,0,0,0,0|2,0,0]=4 504 B15R0.2208 COCCCC(C)OCCC(C)C(=O)OC 7a_200011539412_100000034942 [1,1,0,0,0,0|2,0,0]=4 505 B15R0.110 C/C=C/C(C)OCCC(C)CCCC(C)C 34a_200102604097_100009816328 [1,1,0,0,0,0|2,0,0]=4 506 B15R0.110 C=CC[C@@H](C)OCCC(C)CCCC(C)C 34a_100000731007_100009816328 [1,1,0,0,0,0|2,0,0]=4 507 B15R0.110 C=CC[C@@H](C)OCCC(C)CCCC(C)C 7a_100000731007_100009816328 [1,1,0,0,0,0|2,0,0]=4 508 B15R0.110 CC(C)CCCC(C)CCNC(C)CCO 2230a_102516457229_100009893172 [1,1,0,0,0,0|1,0,1]=4 509 B15R0.110 CC(C)CCCC(C)CCN[C@H](C)CCO 2230a_100000706166_100009816328 [1,1,0,0,0,0|1,0,1]=4 510 B15R0.110 CC(C)CCCC(C)CCN[C@H](C)CCO 34a_100000706166_100009816328 [1,1,0,0,0,0|1,0,1]=4 511 B15R0.110 CC(C)CCCC(C)CCOC(C)CCO 34a_100000015991_100009893172 [1,1,0,0,0,0|1,0,1]=4 512 B15R0.110 CC(C)CCCC(C)CCOC(C)CCO 7a_100000015991_100009893172 [1,1,0,0,0,0|1,0,1]=4 513 B15R0.110 CC(C)CCCC(C)CCSC(C)CCO 62a_100009816328_100009893172 [1,1,0,0,0,0|1,0,1]=4 514 B15R0.110 CC(C)CCCC(C)CCSC(C)CCO 62a_100009893172_100009816328 [1,1,0,0,0,0|1,0,1]=4 515 B15R0.110 COCC(C)NCCC(C)CCCC(C)C 2230a_102516457229_100000765312 [1,1,0,0,0,0|1,0,1]=4 516 B15R0.110 COCC(C)NCCC(C)CCCC(C)C 270004a_102516457229_100000749346 [1,1,0,0,0,0|1,0,1]=4 517 B15R0.110 COCC(C)OCCC(C)CCCC(C)C 34a_100000015991_100000765312 [1,1,0,0,0,0|1,0,1]=4 518 B15R0.110 COCC(C)OCCC(C)CCCC(C)C 7a_100000015991_100000765312 [1,1,0,0,0,0|1,0,1]=4 519 B15R0.110 COCC(C)SCCC(C)CCCC(C)C 62a_100000765312_100009816328 [1,1,0,0,0,0|1,0,1]=4 520 B15R0.110 COCC(C)SCCC(C)CCCC(C)C 62a_100009816328_100000765312 [1,1,0,0,0,0|1,0,1]=4 521 B15R0.110 COC[C@@H](C)NCCC(C)CCCC(C)C 2230a_100000764878_100009816328 [1,1,0,0,0,0|1,0,1]=4 522 B15R0.110 COC[C@@H](C)OCCC(C)CCCC(C)C 34a_100011934205_100009816328 [1,1,0,0,0,0|1,0,1]=4 523 B15R0.331 C=CC(C)(C)OCCC(C)CCCC(C)C 34a_100011215311_100009816328 [1,1,0,0,0,0|2,0,0]=4 524 B15R0.331 C=CC(C)(C)OCCC(C)CCCC(C)C 7a_100011215311_100009816328 [1,1,0,0,0,0|2,0,0]=4 525 B15R0.331 CC(C)CCCC(C)CCNC(C)(C)CO 2230a_100000210608_100009816328 [1,1,0,0,0,0|1,0,1]=4 526 B15R0.906 C=CC(C)CCCC(C)(C)OCCC(C)C 7a_100000032255_100000210626 [1,1,0,0,0,0|2,0,0]=4 527 B15R0.1697 C=CC(C)C(=O)CCC(C)CCCC(C)C 1458a_100011216780_100009816328 [1,1,0,0,0,0|1,0,1]=4 528 B15R0.1697 CC(C)CCCC(C)CCN(C)C(C)CO 2230a_100000693034_100009816328 [1,1,0,0,0,0|1,0,1]=4 529 B15R0.1697 CC(C)CCCC(C)CCN(C)C(C)CO 269982a_100000693034_100009816328 [1,1,0,0,0,0|1,0,1]=4 530 B15R0.1746 C=CC(CC)OCCC(C)CCCC(C)C 34a_100000766422_100009816328 [1,1,0,0,0,0|2,0,0]=4 531 B15R0.1746 C=CC(CC)OCCC(C)CCCC(C)C 7a_100000766422_100009816328 [1,1,0,0,0,0|2,0,0]=4 532 B15R0.1746 C=C[C@@H](CO)NCCC(C)CCCC(C)C 2230a_100016989147_100009816328 [1,1,0,0,0,0|2,0,0]=4 533 B15R0.1746 C=C[C@@H](CO)NCCC(C)CCCC(C)C 34a_100016989147_100009816328 [1,1,0,0,0,0|2,0,0]=4 534 B15R0.1746 CC(C)CCCC(C)CCNC(C=O)C=O 2230a_102516457229_100000736813 [1,1,0,0,0,0|1,0,1]=4 535 B15R0.1746 CC(C)CCCC(C)CCNC(CO)CO 2230a_100000759517_100009816328 [1,1,0,0,0,0|1,0,1]=4 536 B15R0.1746 CC(C)CCCC(C)CCOC(C=O)C=O 34a_100000015991_100000736813 [1,1,0,0,0,0|1,0,1]=4 537 B15R0.1746 CC(C)CCCC(C)CCSC(C=O)C=O 62a_100000736813_100009816328 [1,1,0,0,0,0|1,0,1]=4 538 B15R0.1746 CC(C)CCCC(C)CCSC(C=O)C=O 62a_100009816328_100000736813 [1,1,0,0,0,0|1,0,1]=4 539 B15R0.1746 CC[C@@H](CO)NCCC(C)CCCC(C)C 2230a_100000709445_100009816328 [1,1,0,0,0,0|1,0,1]=4 540 B15R0.1698 CCC(=O)C(C)NCCCCCCC(C)C 2230a_100000211014_100000742827 [1,1,0,0,0,0|2,0,0]=4 541 B15R0.1698 CNC(=O)C(C)CNCCCCCC(C)C 2230a_100015187722_100000210682 [1,1,0,0,0,0|2,0,0]=4 542 B15R0.1698 CNC(=O)C(C)CNCCCCCC(C)C 34a_100015187722_100000210682 [1,1,0,0,0,0|2,0,0]=4 543 B15R0.1698 CNC(=O)C(C)NCCCCCCC(C)C 2230a_100000211014_100000731044 [1,1,0,0,0,0|2,0,0]=4 544 B15R0.1698 CNC(=O)C(C)NCCCCCCC(C)C 34a_100000211014_100000731044 [1,1,0,0,0,0|2,0,0]=4 545 B15R0.1698 COC(=O)C(C)CCNCCCOC(C)C 2230a_100000737246_100000034942 [1,1,0,0,0,0|2,0,0]=4 546 B15R0.1698 COC(=O)C(C)CCNCCCOC(C)C 34a_100000737246_100000034942 [1,1,0,0,0,0|2,0,0]=4 547 B15R0.1698 COC(=O)C(C)CCOCCCCC(C)C 34a_100011214890_100000034942 [1,1,0,0,0,0|1,0,0]=3 548 B15R0.1698 COC(=O)C(C)CCOCCCCC(C)C 7a_100011214890_100000034942 [1,1,0,0,0,0|1,0,0]=3 549 B15R0.1698 COC(=O)C(C)CCOCCCNC(C)C 34a_100000182298_100000034942 [1,1,0,0,0,0|2,0,0]=4 550 B15R0.1698 COC(=O)C(C)CCOCCNCC(C)C 34a_100015185251_100000034942 [1,1,0,0,0,0|2,0,0]=4 551 B15R0.1698 COC(=O)C(C)CCOCCOCC(C)C 34a_100000703358_100000034942 [1,1,0,0,0,0|2,0,0]=4 552 B15R0.1698 COC(=O)C(C)CCOCCOCC(C)C 7a_100000703358_100000034942 [1,1,0,0,0,0|2,0,0]=4 553 B15R0.1698 COC(=O)C(C)CCOCCSCC(C)C 34a_200000230437_100000034942 [1,1,0,0,0,0|2,0,0]=4 554 B15R0.1698 COC(=O)C(C)CCOCCSCC(C)C 7a_200000230437_100000034942 [1,1,0,0,0,0|2,0,0]=4 555 B15R0.1698 COC(=O)C(C)CCSCCCCC(C)C 62a_100000034942_100011216152 [1,1,0,0,0,0|1,0,0]=3 556 B15R0.1698 COC(=O)C(C)CCSCCCCC(C)C 62a_100011216152_100000034942 [1,1,0,0,0,0|1,0,0]=3 557 B15R0.1698 COC(=O)C(C)CCSCCCCN(C)C 62a_100000034942_100000690147 [1,1,0,0,0,0|2,0,0]=4 558 B15R0.1698 COC(=O)C(C)CNCCCCCC(C)C 34a_100011290863_100000698445 [1,1,0,0,0,0|1,0,0]=3 559 B15R0.1698 COC(=O)C(C)CNCCCOCC(C)C 34a_100000205972_100000698445 [1,1,0,0,0,0|2,0,0]=4 560 B15R0.1698 COC(=O)C(C)COCCCCCC(C)C 34a_100000749362_100000210682 [1,1,0,0,0,0|1,0,0]=3 561 B15R0.1698 COC(=O)C(C)COCCCCCC(C)C 34a_100011995859_100000698445 [1,1,0,0,0,0|1,0,0]=3 562 B15R0.1698 COC(=O)C(C)COCCCCCC(C)C 7a_100000749362_100000210682 [1,1,0,0,0,0|1,0,0]=3 563 B15R0.1698 COC(=O)C(C)COCCCCNC(C)C 34a_100011521146_100000698445 [1,1,0,0,0,0|2,0,0]=4 564 B15R0.1698 COC(=O)C(C)CSCCCCCC(C)C 62a_100000210682_100000698445 [1,1,0,0,0,0|1,0,0]=3 565 B15R0.1698 COC(=O)C(C)CSCCCCCC(C)C 62a_100000698445_100000210682 [1,1,0,0,0,0|1,0,0]=3 566 B15R0.1698 COC(=O)C(C)NCCCCCCC(C)C 2230a_100000211014_100000211248 [1,1,0,0,0,0|1,0,0]=3 567 B15R0.1698 COC(=O)C(C)NCCCCCCC(C)C 34a_100000211014_100000211248 [1,1,0,0,0,0|1,0,0]=3 568 B15R0.1698 COC(=O)C(C)OCCCCCNC(C)C 34a_100011629493_100000211248 [1,1,0,0,0,0|2,0,0]=4 569 B15R0.1698 COC(=O)C(F)COCCCCCC(C)C 34a_200009849844_100000210682 [1,1,0,0,0,0|2,0,0]=4 570 B15R0.1698 COC(=O)[C@H](N)COCCCCCC(C)C 34a_100000003586_100000210682 [1,1,0,0,0,0|2,0,0]=4 571 B15R0.1785 CCC(NCCCCCCC(C)C)C(=O)N 2230a_100000211014_100000750255 [1,1,0,0,0,0|2,0,0]=4 572 B15R0.1785 CCC(NCCCCCCC(C)C)C(=O)N 34a_100000211014_100000750255 [1,1,0,0,0,0|2,0,0]=4 573 B15R0.2644 CC(C)CCCCCCNC(C)(C)C(=O)N 2230a_100000211014_100000702505 [1,1,0,0,0,0|2,0,0]=4 574 B15R0.2644 CC(C)CCCCCCNC(C)(C)C(=O)N 34a_100000211014_100000702505 [1,1,0,0,0,0|2,0,0]=4 575 B15R0.2644 CC(C)CCCCCNCC(C)(C)C(=O)N 2230a_100000740840_100000210682 [1,1,0,0,0,0|2,0,0]=4 576 B15R0.2644 CC(C)CCCCCNCC(C)(C)C(=O)N 34a_100000740840_100000210682 [1,1,0,0,0,0|2,0,0]=4 577 B15R0.2644 CC(C)CCCCCNCC(C)(C)C(=O)N 34a_100011290863_200009895572 [1,1,0,0,0,0|2,0,0]=4 578 B15R0.2644 CC(C)CCCCCNCC(C)(C)C(=O)O 269956a_100000693527_100000210682 [1,1,0,0,0,0|1,0,0]=3 579 B15R0.2644 CC(C)CCCCCNCC(F)(F)C(=O)O 269956a_100000734215_100000210682 [1,1,0,0,0,0|2,0,0]=4 580 B15R0.2644 CC(C)CCCCCNOC(C)(C)C(=O)O 269956a_100016989451_100000210682 [1,1,0,0,0,0|2,0,0]=4 581 B15R0.2644 CC(C)CCCCCOCC(C)(C)C(=O)N 34a_100011995859_200009895572 [1,1,0,0,0,0|2,0,0]=4 582 B15R0.2644 CC(C)CCCCCSCC(C)(C)C(=O)N 62a_100000210682_200009895572 [1,1,0,0,0,0|2,0,0]=4 583 B15R0.2644 CC(C)CCCCCSCC(C)(C)C(=O)N 62a_200009895572_100000210682 [1,1,0,0,0,0|2,0,0]=4 584 B15R0.2680 CC(=O)C(C)COCCCCCC(C)(C)O 34a_100000032740_100010402123 [1,1,0,0,0,0|2,0,0]=4 585 B15R0.2680 CC(=O)C(C)COCCCCCC(C)(C)O 7a_100000032740_100010402123 [1,1,0,0,0,0|2,0,0]=4 586 B15R0.2680 CC(C)(O)CCCCCNCC(F)C(=O)O 269956a_100000084737_100010402123 [1,1,0,0,0,0|2,0,0]=4 587 B15R0.2680 CC(CNCCCCCC(C)(C)O)C(=O)O 269956a_100000749485_100010402123 [1,1,0,0,0,0|1,0,0]=3 588 B15R0.2680 CC(CNCCCCC[N+](C)(C)C)C(=O)O 269956a_100000749485_100009813293 [1,1,0,0,0,0|2,0,0]=4 589 B15R0.2680 C[C@H](NCCCCCC[N+](C)(C)C)C(=O)O 269956a_100000743915_100009996864 [1,1,0,0,0,0|2,0,0]=4 590 B15R0.3316 CC(=O)C(C)C(=O)CCCCCCC(C)C 1458a_100000040743_100000179758 [1,1,0,0,0,0|1,0,1]=4 591 B15R0.3316 CC(C)CCCCCCC(=O)C(C)C(=O)N 1458a_100000040743_100000702099 [1,1,0,0,0,0|1,0,1]=4 592 B15R0.2715 CC(C)CCCC(C)NCC(C)(C)C(=O)N 270004a_100000740840_100000753411 [0,1,0,0,1,0|2,0,0]=4 593 B15R0.2715 CC(C)CCCC(C)OCC(C)(C)C(=O)N 34a_200011218570_200009895572 [0,1,0,0,1,0|2,0,0]=4 594 B15R0.3442 COC(=O)C(C)CCNC(C)CCC(C)C 2230a_100138410893_100000034942 [0,1,0,0,1,0|1,0,0]=3 595 B15R0.3442 COC(=O)C(C)CCOC(C)CCC(C)C 34a_100011215350_100000034942 [0,1,0,0,1,0|1,0,0]=3 596 B15R0.3442 COC(=O)C(C)CCOC(C)CCC(C)C 7a_100011215350_100000034942 [0,1,0,0,1,0|1,0,0]=3 597 B15R0.3442 COC(=O)C(C)CCSC(C)CCC(C)C 62a_100000034942_100011261404 [0,1,0,0,1,0|1,0,0]=3 598 B15R0.3442 COC(=O)C(C)CCSC(C)CCC(C)C 62a_100011261404_100000034942 [0,1,0,0,1,0|1,0,0]=3 599 B17R0.59 COC(=O)CC(C)NCCC(C)CCCC(C)C 2230a_102516457229_100009817358 [0,1,0,0,0,1|1,0,0]=3 600 B17R0.59 COC(=O)CC(C)OCCC(C)CCCC(C)C 34a_100000015991_100009817358 [0,1,0,0,0,1|1,0,0]=3 601 B17R0.59 COC(=O)CC(C)OCCC(C)CCCC(C)C 7a_100000015991_100009817358 [0,1,0,0,0,1|1,0,0]=3 602 B17R0.59 COC(=O)CC(C)SCCC(C)CCCC(C)C 62a_100009816328_100009817358 [0,1,0,0,0,1|1,0,0]=3 603 B17R0.59 COC(=O)CC(C)SCCC(C)CCCC(C)C 62a_100009817358_100009816328 [0,1,0,0,0,1|1,0,0]=3 604 B17R0.1558 CC(C)CCCC(C)CCN[C@H](CO)CC(=O)O 269956a_100009816507_100009816328 [0,1,0,0,0,1|1,0,0]=3 605 B17R0.1558 CC[C@H](CC(=O)O)NCCC(C)CCCC(C)C 269956a_100016995926_100009816328 [0,1,0,0,0,1|1,0,0]=3 606 B17R0.1633 CC(C)CCCC(C)CCO[C@H](C)[C@H](N)C(=O)N 34a_100000003557_100009816328 [0,1,0,0,0,1|2,0,0]=4 607 B17R0.5437 CC(=O)N[C@H](C)C(=O)CCC(C)CCCC(C)C 1458a_100011504603_100009816328 [0,1,0,0,0,1|1,0,1]=4 608 B17R0.5437 CC(=O)O[C@@H](C)C(=O)CCC(C)CCCC(C)C 1458a_100009816467_100009816328 [0,1,0,0,0,1|1,0,1]=4 609 B17R0.46738 CC(=O)CC(C)(C)OCCC(C)CCCC(C)C 7a_100000210262_100009816328 [0,1,0,0,0,1|2,0,0]=4 610 B17R0.46738 CC(C)CCCC(C)CCNC(C)(C)CC(=O)N 2230a_100000763158_100009816328 [0,1,0,0,0,1|2,0,0]=4 611 B17R0.46738 CC(C)CCCC(C)CCNC(C)(C)CC(=O)O 269956a_100000755897_100009816328 [0,1,0,0,0,1|1,0,0]=3 612 B17R0.1634 CC(C)CCCC(C)NC(=O)CN[C@@H](C)C(=O)O 269956a_100000743915_100000230334 [0,1,0,0,0,1|1,0,1]=4 613 B17R0.1731 CC(=O)N(C)CC(=O)CCC(C)CCCC(C)C 1458a_100000194957_100009816328 [0,1,0,0,0,1|2,0,0]=4 614 B17R0.1731 CC(C)CCCC(C)CCC(=O)CN(C)C(=O)N 1458a_100000218718_100009816328 [0,1,0,0,0,1|2,0,0]=4 615 B17R0.3298 C=C(COCCC(C)CCCC(C)C)C(=O)OC 34a_100000015991_100009813391 [0,1,0,0,0,1|0,0,2]=4 616 B17R0.3298 C=C(CSCCC(C)CCCC(C)C)C(=O)OC 62a_100009813391_100009816328 [0,1,0,0,0,1|0,0,2]=4 617 B17R0.3298 C=C(CSCCC(C)CCCC(C)C)C(=O)OC 62a_100009816328_100009813391 [0,1,0,0,0,1|0,0,2]=4 618 B17R0.3298 CC(C)CCCC(C)CCOCC(N)C(=O)NN 34a_100016989258_100009816328 [0,1,0,0,0,1|2,0,0]=4 619 B17R0.3298 CNC(=O)C(C)CNCCC(C)CCCC(C)C 2230a_100015187722_100009816328 [0,1,0,0,0,1|1,0,0]=3 620 B17R0.3298 CNC(=O)C(C)CNCCC(C)CCCC(C)C 34a_100015187722_100009816328 [0,1,0,0,0,1|1,0,0]=3 621 B17R0.3298 COC(=O)C(=O)COCCC(C)CCCC(C)C 34a_100000015991_100011610305 [0,1,0,0,0,1|1,0,1]=4 622 B17R0.3298 COC(=O)C(=O)CSCCC(C)CCCC(C)C 62a_100009816328_100011610305 [0,1,0,0,0,1|1,0,1]=4 623 B17R0.3298 COC(=O)C(=O)CSCCC(C)CCCC(C)C 62a_100011610305_100009816328 [0,1,0,0,0,1|1,0,1]=4 624 B17R0.3298 COC(=O)C(C)COCCC(C)CCC=C(C)C 34a_100000017536_100000698445 [0,1,0,0,0,1|0,0,2]=4 625 B17R0.3298 COC(=O)C(C)COCCC(C)CCC=C(C)C 34a_100000749362_100009814015 [0,1,0,0,0,1|0,0,2]=4 626 B17R0.3298 COC(=O)C(C)COCCC(C)CCC=C(C)C 7a_100000749362_100009814015 [0,1,0,0,0,1|0,0,2]=4 627 B17R0.3298 COC(=O)C(C)COCCC(C)CCCC(C)C 34a_100000015991_100000698445 [0,1,0,0,0,1|0,0,0]=2 628 B17R0.3298 COC(=O)C(C)COCCC(C)CCCC(C)C 34a_100000749362_100009816328 [0,1,0,0,0,1|0,0,0]=2 629 B17R0.3298 COC(=O)C(C)COCCC(C)CCCC(C)C 7a_100000749362_100009816328 [0,1,0,0,0,1|0,0,0]=2 630 B17R0.3298 COC(=O)C(C)CSCCC(C)CCC=C(C)C 62a_100000698445_100009814015 [0,1,0,0,0,1|0,0,2]=4 631 B17R0.3298 COC(=O)C(C)CSCCC(C)CCC=C(C)C 62a_100009814015_100000698445 [0,1,0,0,0,1|0,0,2]=4 632 B17R0.3298 COC(=O)C(C)CSCCC(C)CCCC(C)C 62a_100000698445_100009816328 [0,1,0,0,0,1|0,0,0]=2 633 B17R0.3298 COC(=O)C(C)CSCCC(C)CCCC(C)C 62a_100009816328_100000698445 [0,1,0,0,0,1|0,0,0]=2 634 B17R0.3298 COC(=O)C(F)COCCC(C)CCCC(C)C 34a_200009849844_100009816328 [0,1,0,0,0,1|1,0,0]=3 635 B17R0.3298 COC(=O)[C@H](N)COCCC(C)CCCC(C)C 34a_100000003586_100009816328 [0,1,0,0,0,1|1,0,0]=3 636 B17R0.46300 CC(=CCCC(C)CCNCC(C)(C)C(=O)O)C 269956a_100000693527_100009814015 [0,1,0,0,0,1|0,0,2]=4 637 B17R0.46300 CC(C)CCCC(C)CCNCC(C)(C)C(=O)N 2230a_100000740840_100009816328 [0,1,0,0,0,1|1,0,0]=3 638 B17R0.46300 CC(C)CCCC(C)CCNCC(C)(C)C(=O)N 34a_100000740840_100009816328 [0,1,0,0,0,1|1,0,0]=3 639 B17R0.46300 CC(C)CCCC(C)CCNCC(C)(C)C(=O)O 269956a_100000693527_100009816328 [0,1,0,0,0,1|0,0,0]=2 640 B17R0.46300 CC(C)CCCC(C)CCNCC(F)(F)C(=O)O 269956a_100000734215_100009816328 [0,1,0,0,0,1|1,0,0]=3 641 B17R0.46300 CC(C)CCCC(C)CCNOC(C)(C)C(=O)O 269956a_100016989451_100009816328 [0,1,0,0,0,1|1,0,0]=3 642 B17R0.46300 CC(C)CCCC(C)CCOCC(C)(C)C(=O)N 34a_100000015991_200009895572 [0,1,0,0,0,1|1,0,0]=3 643 B17R0.46300 CC(C)CCCC(C)CCOCC(C)(C)[N+](=O)[O-] 34a_100000032158_100009816328 [0,1,0,0,0,1|1,0,1]=4 644 B17R0.46300 CC(C)CCCC(C)CCOCC(C)(C)[N+](=O)[O-] 7a_100000032158_100009816328 [0,1,0,0,0,1|1,0,1]=4 645 B17R0.46300 CC(C)CCCC(C)CCSCC(C)(C)C(=O)N 62a_100009816328_200009895572 [0,1,0,0,0,1|1,0,0]=3 646 B17R0.46300 CC(C)CCCC(C)CCSCC(C)(C)C(=O)N 62a_200009895572_100009816328 [0,1,0,0,0,1|1,0,0]=3 647 B17R0.223 CCNC(=O)C(C)NCCC(C)CCCC(C)C 2230a_100000736553_100009816328 [0,2,0,0,0,0|2,0,0]=4 648 B17R0.223 CCNC(=O)C(C)NCCC(C)CCCC(C)C 2230a_102516457229_100000230173 [0,2,0,0,0,0|2,0,0]=4 649 B17R0.223 CCNC(=O)C(C)NCCC(C)CCCC(C)C 34a_100000736553_100009816328 [0,2,0,0,0,0|2,0,0]=4 650 B17R0.223 CCNC(=O)C(C)OCCC(C)CCCC(C)C 34a_100000015991_100000230173 [0,2,0,0,0,0|2,0,0]=4 651 B17R0.223 CCNC(=O)C(C)OCCC(C)CCCC(C)C 7a_100000015991_100000230173 [0,2,0,0,0,0|2,0,0]=4 652 B17R0.223 CCNC(=O)C(C)SCCC(C)CCCC(C)C 62a_100000230173_100009816328 [0,2,0,0,0,0|2,0,0]=4 653 B17R0.223 CCNC(=O)C(C)SCCC(C)CCCC(C)C 62a_100009816328_100000230173 [0,2,0,0,0,0|2,0,0]=4 654 B17R0.223 CCOC(=O)C(C)NCCC(C)CCCC(C)C 2230a_102516457229_100011215307 [0,2,0,0,0,0|1,0,0]=3 655 B17R0.223 CCOC(=O)C(C)OCCC(C)CCCC(C)C 34a_100000015991_100011216346 [0,2,0,0,0,0|1,0,0]=3 656 B17R0.223 CCOC(=O)C(C)OCCC(C)CCCC(C)C 7a_100000015991_100011216346 [0,2,0,0,0,0|1,0,0]=3 657 B17R0.223 CCOC(=O)C(C)SCCC(C)CCCC(C)C 62a_100009816328_100011216346 [0,2,0,0,0,0|1,0,0]=3 658 B17R0.223 CCOC(=O)C(C)SCCC(C)CCCC(C)C 62a_100011216346_100009816328 [0,2,0,0,0,0|1,0,0]=3 659 B17R0.223 CCOC(=O)C(F)NCCC(C)CCCC(C)C 2230a_102516457229_100000760018 [0,2,0,0,0,0|2,0,0]=4 660 B17R0.223 CCOC(=O)C(F)OCCC(C)CCCC(C)C 34a_100000015991_100000760018 [0,2,0,0,0,0|2,0,0]=4 661 B17R0.223 CCOC(=O)C(F)OCCC(C)CCCC(C)C 7a_100000015991_100000040065 [0,2,0,0,0,0|2,0,0]=4 662 B17R0.223 CCOC(=O)C(F)SCCC(C)CCCC(C)C 62a_100000760018_100009816328 [0,2,0,0,0,0|2,0,0]=4 663 B17R0.223 CCOC(=O)C(F)SCCC(C)CCCC(C)C 62a_100009816328_100000760018 [0,2,0,0,0,0|2,0,0]=4 664 B17R0.223 CCOC(=O)[C@H](C)OCCC(C)CCCC(C)C 7a_100000751109_100009816328 [0,2,0,0,0,0|1,0,0]=3 665 B17R0.223 CCSC(=O)[C@H](C)NCCC(C)CCCC(C)C 2230a_100103168634_100009816328 [0,2,0,0,0,0|1,1,0]=4 666 B17R0.7525 COC(=O)C(C)CCOC(C)(C)CCCC(C)C 7a_100011215742_100000034942 [0,2,0,0,0,0|1,0,0]=3 667 B17R0.11373 COC(=O)C(C)C(=O)CCC(C)CCCC(C)C 1458a_100012027023_100009816328 [0,2,0,0,0,0|0,0,1]=3 668 B17R0.11373 COC(=O)C(C)N(C)CCC(C)CCCC(C)C 2230a_100000725243_100009816328 [0,2,0,0,0,0|1,0,0]=3 669 B17R0.11373 COC(=O)C(C)N(C)CCC(C)CCCC(C)C 269982a_100000725243_100009816328 [0,2,0,0,0,0|1,0,0]=3 670 B17R0.11466 CCC(=O)C(CC)OCCC(C)CCCC(C)C 34a_200011218131_100009816328 [0,2,0,0,0,0|2,0,0]=4 671 B17R0.11466 CCC(=O)C(CC)OCCC(C)CCCC(C)C 7a_200011218131_100009816328 [0,2,0,0,0,0|2,0,0]=4 672 B17R0.11466 CCC(NCCC(C)CCCC(C)C)C(=O)OC 2230a_102516457229_100000235869 [0,2,0,0,0,0|1,0,0]=3 673 B17R0.11466 CCC(OCCC(C)CCCC(C)C)C(=O)OC 34a_100000015991_100000235869 [0,2,0,0,0,0|1,0,0]=3 674 B17R0.11466 CCC(OCCC(C)CCCC(C)C)C(=O)OC 34a_100000695916_100009816328 [0,2,0,0,0,0|1,0,0]=3 675 B17R0.11466 CCC(OCCC(C)CCCC(C)C)C(=O)OC 7a_100000015991_100000742303 [0,2,0,0,0,0|1,0,0]=3 676 B17R0.11466 CCC(OCCC(C)CCCC(C)C)C(=O)OC 7a_100000695916_100009816328 [0,2,0,0,0,0|1,0,0]=3 677 B17R0.11466 CCC(SCCC(C)CCCC(C)C)C(=O)OC 62a_100000235869_100009816328 [0,2,0,0,0,0|1,0,0]=3 678 B17R0.11466 CCC(SCCC(C)CCCC(C)C)C(=O)OC 62a_100009816328_100000235869 [0,2,0,0,0,0|1,0,0]=3 679 B17R0.11466 CC[C@H](NCCC(C)CCCC(C)C)C(=O)NC 2230a_106657271573_100009816328 [0,2,0,0,0,0|2,0,0]=4 680 B17R0.11466 CC[C@H](NCCC(C)CCCC(C)C)C(=O)NC 34a_106657271573_100009816328 [0,2,0,0,0,0|2,0,0]=4 681 B17R0.11466 COC(=O)C(C=O)OCCC(C)CCCC(C)C 34a_100000015991_100000046368 [0,2,0,0,0,0|1,0,1]=4 682 B17R0.11466 COC(=O)C(C=O)SCCC(C)CCCC(C)C 62a_100000046368_100009816328 [0,2,0,0,0,0|1,0,1]=4 683 B17R0.11466 COC(=O)C(C=O)SCCC(C)CCCC(C)C 62a_100009816328_100000046368 [0,2,0,0,0,0|1,0,1]=4 684 B17R0.11466 COC(=O)C(CN)OCCC(C)CCCC(C)C 34a_100000695228_100009816328 [0,2,0,0,0,0|1,0,0]=3 685 B17R0.11466 COC(=O)C(CO)OCCC(C)CCCC(C)C 34a_100000015991_100012276630 [0,2,0,0,0,0|1,0,0]=3 686 B17R0.11466 COC(=O)C(CO)SCCC(C)CCCC(C)C 62a_100009816328_100012276630 [0,2,0,0,0,0|1,0,0]=3 687 B17R0.11466 COC(=O)C(CO)SCCC(C)CCCC(C)C 62a_100012276630_100009816328 [0,2,0,0,0,0|1,0,0]=3 688 B17R0.11466 COC(=O)C(OC)OCCC(C)CCCC(C)C 34a_100000015991_100000101307 [0,2,0,0,0,0|1,0,0]=3 689 B17R0.11466 COC(=O)C(OC)OCCC(C)CCCC(C)C 34a_100000036821_100009816328 [0,2,0,0,0,0|1,0,0]=3 690 B17R0.11466 COC(=O)C(OC)SCCC(C)CCCC(C)C 62a_100000101307_100009816328 [0,2,0,0,0,0|1,0,0]=3 691 B17R0.11466 COC(=O)C(OC)SCCC(C)CCCC(C)C 62a_100009816328_100000101307 [0,2,0,0,0,0|1,0,0]=3 692 B17R0.14215 CC(C)CCCC(C)CCOC(C)(C)C(=O)NN 34a_100000061348_100009816328 [0,2,0,0,0,0|2,0,0]=4 693 B17R0.14215 CNC(=O)C(C)(C)NCCC(C)CCCC(C)C 2230a_102516457229_100000732697 [0,2,0,0,0,0|2,0,0]=4 694 B17R0.14215 CNC(=O)C(C)(C)OCCC(C)CCCC(C)C 34a_100000015991_100000732697 [0,2,0,0,0,0|2,0,0]=4 695 B17R0.14215 CNC(=O)C(C)(C)SCCC(C)CCCC(C)C 62a_100000732697_100009816328 [0,2,0,0,0,0|2,0,0]=4 696 B17R0.14215 CNC(=O)C(C)(C)SCCC(C)CCCC(C)C 62a_100009816328_100000732697 [0,2,0,0,0,0|2,0,0]=4 697 B17R0.14215 COC(=O)C(C)(C)CCCC(=O)CCCC(C)C 1458a_100011216857_100010114820 [0,2,0,0,0,0|1,0,1]=4 698 B17R0.14215 COC(=O)C(C)(C)CCCN(C)CCCN(C)C 269982a_100000225831_100010114820 [0,2,0,0,0,0|2,0,0]=4 699 B17R0.14215 COC(=O)C(C)(C)NCCC(C)CCCC(C)C 2230a_102516457229_100000689032 [0,2,0,0,0,0|1,0,0]=3 700 B17R0.14215 COC(=O)C(C)(C)OCCC(C)CCCC(C)C 34a_100011217581_100009816328 [0,2,0,0,0,0|1,0,0]=3 701 B17R0.14215 COC(=O)C(C)(C)OCCC(C)CCCC(C)C 7a_100011217581_100009816328 [0,2,0,0,0,0|1,0,0]=3 702 B17R0.14215 COC(=O)C(C)(C)SCCC(C)CCCC(C)C 62a_100000689032_100009816328 [0,2,0,0,0,0|1,0,0]=3 703 B17R0.14215 COC(=O)C(C)(C)SCCC(C)CCCC(C)C 62a_100009816328_100000689032 [0,2,0,0,0,0|1,0,0]=3 704 B17R0.14215 COC(=O)C(C)(F)NCCC(C)CCCC(C)C 2230a_102516457229_200009867631 [0,2,0,0,0,0|1,0,0]=3 705 B17R0.14215 COC(=O)C(C)(F)OCCC(C)CCCC(C)C 34a_100000015991_200009867631 [0,2,0,0,0,0|1,0,0]=3 706 B17R0.14215 COC(=O)C(C)(F)SCCC(C)CCCC(C)C 62a_100009816328_200009867631 [0,2,0,0,0,0|1,0,0]=3 707 B17R0.14215 COC(=O)C(C)(F)SCCC(C)CCCC(C)C 62a_200009867631_100009816328 [0,2,0,0,0,0|1,0,0]=3 708 B17R0.14215 COC(=O)C(F)(F)OCCC(C)CCCC(C)C 34a_100000015991_100000211177 [0,2,0,0,0,0|2,0,0]=4 709 B17R0.14215 COC(=O)C(F)(F)OCCC(C)CCCC(C)C 7a_100000015991_100000211177 [0,2,0,0,0,0|2,0,0]=4 710 B17R0.14215 COC(=O)C(F)(F)SCCC(C)CCCC(C)C 62a_100000211177_100009816328 [0,2,0,0,0,0|2,0,0]=4 711 B17R0.14215 COC(=O)C(F)(F)SCCC(C)CCCC(C)C 62a_100009816328_100000211177 [0,2,0,0,0,0|2,0,0]=4 712 B17R0.1728 CC(=O)C(SCCC(C)CCCC(C)C)C(=O)C 62a_100000210371_100009816328 [0,2,0,0,0,0|2,0,0]=4 713 B17R0.1728 CC(=O)C(SCCC(C)CCCC(C)C)C(=O)C 62a_100009816328_100000210371 [0,2,0,0,0,0|2,0,0]=4 714 B17R0.1728 CC(C)CCCC(C)CCNC(C(=O)O)C(C)O 269956a_100000185852_100009816328 [0,2,0,0,0,0|1,0,0]=3 715 B17R0.1728 CC(C)CCCC(C)CCN[C@@H](C(=O)O)C(C)C 269956a_100000745019_100009816328 [0,2,0,0,0,0|1,0,0]=3 716 B17R0.1728 CC(C)CCCC(C)CCN[C@H](C(=O)N)[C@@H](C)O 2230a_100000003557_100009816328 [0,2,0,0,0,0|2,0,0]=4 717 B17R0.1728 CC(C)CCCC(C)CCOC(C(=O)N)C(C)C 34a_100000015991_100000230017 [0,2,0,0,0,0|2,0,0]=4 718 B17R0.1728 CC(C)CCCC(C)CCOC(C(=O)N)C(C)C 7a_100000015991_100000230017 [0,2,0,0,0,0|2,0,0]=4 719 B17R0.1728 CC(C)CCCC(C)CCSC(C(=O)N)C(C)C 62a_100000230017_100009816328 [0,2,0,0,0,0|2,0,0]=4 720 B17R0.1728 CC(C)CCCC(C)CCSC(C(=O)N)C(C)C 62a_100009816328_100000230017 [0,2,0,0,0,0|2,0,0]=4 721 B17R0.4969 CCCC(OCCC(C)CCCC(C)C)C(=O)N 34a_100011626294_100009816328 [0,2,0,0,0,0|2,0,0]=4 722 B17R0.4969 CCCC(OCCC(C)CCCC(C)C)C(=O)N 7a_100011626294_100009816328 [0,2,0,0,0,0|2,0,0]=4 723 B17R0.4969 CCC[C@H](NCCC(C)CCCC(C)C)C(=O)N 2230a_100000729256_100009816328 [0,2,0,0,0,0|2,0,0]=4 724 B17R0.4969 CCC[C@H](NCCC(C)CCCC(C)C)C(=O)N 34a_100000729256_100009816328 [0,2,0,0,0,0|2,0,0]=4 725 B17R0.4969 CCC[C@H](NCCC(C)CCCC(C)C)C(=O)O 269956a_100000750406_100009816328 [0,2,0,0,0,0|1,0,0]=3 726 B17R0.4969 COC[C@@H](NCCC(C)CCCC(C)C)C(=O)O 269956a_100011998655_100009816328 [0,2,0,0,0,0|1,0,0]=3 727 B17R0.4969 CSC[C@H](NCCC(C)CCCC(C)C)C(=O)O 269956a_100011421858_100009816328 [0,2,0,0,0,0|1,0,0]=3 728 B17R0.4969 C[Se]C[C@H](NCCC(C)CCCC(C)C)C(=O)O 269956a_100015254316_100009816328 [0,2,0,0,0,0|1,0,0]=3 729 B17R0.39327 CC(C)CCCC(C)CCN(C)[C@@H](CO)C(=O)O 269956a_100015362447_100009816328 [0,2,0,0,0,0|1,0,0]=3 730 B17R0.39327 CC[C@@H](C(=O)N)N(C)CCC(C)CCCC(C)C 2230a_103436537554_100009816328 [0,2,0,0,0,0|2,0,0]=4 731 B17R0.39327 CC[C@@H](C(=O)N)N(C)CCC(C)CCCC(C)C 269982a_103436537554_100009816328 [0,2,0,0,0,0|2,0,0]=4 732 B17R0.39787 CCC(C)(NCCC(C)CCCC(C)C)C(=O)O 269956a_100025756313_100009816328 [0,2,0,0,0,0|1,0,0]=3 733 B17R0.36935 CCN(CCC(C)CCCC(C)C)C(C)C(=O)N 2230a_100020603310_100009816328 [0,2,0,0,0,0|2,0,0]=4 734 B17R0.36935 CCN(CCC(C)CCCC(C)C)C(C)C(=O)N 269982a_100020603310_100009816328 [0,2,0,0,0,0|2,0,0]=4 735 B15R1.5468 CC(C)CCCC(C)OC1COC(=O)O1 34a_200011218570_100000032252 [1,0,0,1,0,0|2,0,0]=4 736 B15R1.6612 CC(=O)CCCCN1CCCC(CC1)C 269982a_100025706717_100000735457 [1,0,0,1,0,0|2,0,0]=4 737 B15R1.6612 CC(=O)CCCCN1CCCC(CC1)C 34a_100025706717_100009817362 [1,0,0,1,0,0|2,0,0]=4 738 B15R1.6620 CC(C)CCN1C(CCCC1C(=O)O)C 269956a_100000704260_100000210312 [1,0,0,1,0,0|1,0,0]=3 739 B15R1.6620 CC(C)OCN1C(CCCC1C(=O)O)C 269956a_100000704260_100000709892 [1,0,0,1,0,0|2,0,0]=4 740 B15R1.6620 CC(O)CCN1C(CCCC1C(=O)O)C 269956a_100000704260_100012276601 [1,0,0,1,0,0|2,0,0]=4 741 B15R1.6620 CC1CCCC(N1CCN(C)C)C(=O)O 269956a_100000704260_100000755713 [1,0,0,1,0,0|2,0,0]=4 742 B15R1.6713 CC(C)CCCC(C)NCC1CC(=O)C1 2230a_100000210607_100009874392 [1,0,0,1,0,0|2,0,0]=4 743 B15R1.6713 CC(C)CCCC(C)OCC1CC(=O)C1 7a_200011218570_100009874392 [1,0,0,1,0,0|2,0,0]=4 744 B15R1.8435 CC(=O)COC1CC(CCC1C(C)C)C 1458a_100000239268_200000210301 [1,0,0,1,0,0|2,0,0]=4 745 B15R1.8435 CC(=O)CO[C@H]1C[C@H](CC[C@@H]1C(C)C)C 34a_100000211253_200009893639 [1,0,0,1,0,0|2,0,0]=4 746 B15R1.8435 CC(C)[C@@H]1CC[C@H](C[C@H]1NCC(=O)N)C 2230a_100025773825_100000747473 [1,0,0,1,0,0|2,0,0]=4 747 B15R1.8435 CC(C)[C@@H]1CC[C@H](C[C@H]1NCC(=O)N)C 34a_100025773825_100000187820 [1,0,0,1,0,0|2,0,0]=4 748 B15R1.8435 CC(C)[C@@H]1CC[C@H](C[C@H]1NCC(=O)[O-])C 34a_100025773825_100020667443 [1,0,0,1,0,0|1,0,1]=4 749 B15R1.8435 CC(C)[C@H]1CC[C@@H](C[C@@H]1NCC(=O)O)C 269956a_100016091260_200009893639 [1,0,0,1,0,0|1,0,0]=3 750 B15R1.8435 CC(C)[C@H]1CC[C@@H](C[C@@H]1OCC(=O)N)C 34a_100000763588_100000187820 [1,0,0,1,0,0|2,0,0]=4 751 B15R1.8435 CC(C)[C@H]1CC[C@@H](C[C@@H]1OCC(=O)N)C 7a_100000763588_100000187820 [1,0,0,1,0,0|2,0,0]=4 752 B15R1.8435 CC(C)[C@H]1CC[C@@H](C[C@@H]1OCC(=O)[O-])C 34a_100000763588_100020667443 [1,0,0,1,0,0|1,0,1]=4 753 B15R1.8435 CC(C)[C@H]1CC[C@@H](C[C@@H]1SCC(=O)N)C 62a_100000747473_200009893639 [1,0,0,1,0,0|2,0,0]=4 754 B15R1.8435 CC(C)[C@H]1CC[C@@H](C[C@@H]1SCC(=O)N)C 62a_200009893639_100000747473 [1,0,0,1,0,0|2,0,0]=4 755 B15R1.8435 CC(C)[C@H]1CC[C@@H](C[C@@H]1SCC(=O)[O-])C 62a_100020667443_200009893639 [1,0,0,1,0,0|1,0,1]=4 756 B15R1.8435 CC(C)[C@H]1CC[C@@H](C[C@@H]1SCC(=O)[O-])C 62a_200009893639_100020667443 [1,0,0,1,0,0|1,0,1]=4 757 B15R1.8435 CC1CCC(C(C1)OCC(=O)[13CH3])C(C)C 1458a_100000239268_200025704644 [1,0,0,1,0,0|2,0,0]=4 758 B15R1.8879 CC(C)CCCN1CCC(C1)CC(=O)O 269956a_100000719201_100011214892 [1,0,0,1,0,0|1,0,0]=3 759 B15R1.8879 CC(C)OCCN1CCC(C1)CC(=O)O 269956a_100000719201_100000211751 [1,0,0,1,0,0|2,0,0]=4 760 B15R1.8879 CC(C)SCCN1CCC(C1)CC(=O)O 269956a_100000719201_100000730970 [1,0,0,1,0,0|2,0,0]=4 761 B15R1.8879 CC(O)CCCN1CCC(C1)CC(=O)O 269956a_100000719201_200000718107 [1,0,0,1,0,0|2,0,0]=4 762 B15R1.8879 CN(C)CCCN1CCC(C1)CC(=O)O 269956a_100000719201_100000757444 [1,0,0,1,0,0|2,0,0]=4 763 B15R1.8921 CC(=O)CCCCN1CC(C1)CC(C)C 269982a_214813039686_100000735457 [1,0,0,1,0,0|2,0,0]=4 764 B15R1.8921 CC(=O)CCCCN1CC(C1)CC(C)C 34a_214813039686_100009817362 [1,0,0,1,0,0|2,0,0]=4 765 B15R1.9000 CC(C)CCCN1CCCC(C1)C(=O)N 2230a_100000195536_100011214892 [1,0,0,1,0,0|2,0,0]=4 766 B15R1.9000 CC(C)CCCN1CCCC(C1)C(=O)N 269982a_100000195536_100011214892 [1,0,0,1,0,0|2,0,0]=4 767 B15R1.9000 CC(C)CCCN1CCCC(C1)C(=O)N 34a_100000195536_100011214892 [1,0,0,1,0,0|2,0,0]=4 768 B15R1.9000 CC(C)CCNC1CCCC(C1)C(=O)N 2230a_100000749473_100000210312 [1,0,0,1,0,0|2,0,0]=4 769 B15R1.9000 CC(C)CCNC1CCCC(C1)C(=O)N 269862a_100000749473_100000185833 [1,0,0,1,0,0|2,0,0]=4 770 B15R1.9000 CC(C)CCNC1CCCC(C1)C(=O)N 34a_100000749473_100000210312 [1,0,0,1,0,0|2,0,0]=4 771 B15R1.9000 CC(C)CCNC1CCCC(C1)C(=O)O 269956a_100011216634_100000210312 [1,0,0,1,0,0|1,0,0]=3 772 B15R1.9000 CC(C)OCNC1CCCC(C1)C(=O)O 269956a_100011216634_100000709892 [1,0,0,1,0,0|2,0,0]=4 773 B15R1.9000 CC(O)CCNC1CCCC(C1)C(=O)O 269956a_100011216634_100012276601 [1,0,0,1,0,0|2,0,0]=4 774 B15R1.9000 CN(C)CCNC1CCCC(C1)C(=O)O 269956a_100011216634_100000755713 [1,0,0,1,0,0|2,0,0]=4 775 B15R1.12232 CC(=O)CCCCN1CCCC(C1)(C)C 269982a_100000716857_100000735457 [1,0,0,1,0,0|2,0,0]=4 776 B15R1.12232 CC(=O)CCCCN1CCCC(C1)(C)C 34a_100000716857_100009817362 [1,0,0,1,0,0|2,0,0]=4 777 B15R1.12232 CC(=O)CCCOC1CCCC(C1)(C)C 7a_100011995757_100011215641 [1,0,0,1,0,0|2,0,0]=4 778 B15R1.12232 CC1(CCCC(C1)OCCCC(=O)N)C 7a_100011995757_100102525003 [1,0,0,1,0,0|2,0,0]=4 779 B15R1.45 CCN1CCC(C1)CNCC(C)C(=O)O 269956a_100000749485_100015184589 [1,0,0,1,0,0|2,0,0]=4 780 B15R1.121 CC(CNCC1CCCN(C1)C)C(=O)O 269956a_100000749485_100000752043 [1,0,0,1,0,0|2,0,0]=4 781 B15R1.121 CC1CCCN(C1)CCN[C@@H](C)C(=O)O 269956a_100000743915_100000766211 [1,0,0,1,0,0|2,0,0]=4 782 B15R1.1388 CCCCCC(C)N1CCC(C1)C(=O)N 2230a_100000752358_200011218191 [1,0,0,1,0,0|2,0,0]=4 783 B15R1.1388 CCCCCC(C)N1CCC(C1)C(=O)N 269982a_100000752358_200011218191 [1,0,0,1,0,0|2,0,0]=4 784 B15R1.1388 CCCCCC(C)N1CCC(C1)C(=O)N 270004a_100000752358_100000211708 [1,0,0,1,0,0|2,0,0]=4 785 B15R1.1388 CCCCCC(C)N1CCC(C1)C(=O)N 34a_100000752358_200011218191 [1,0,0,1,0,0|2,0,0]=4 786 B15R1.1398 CCCCCC(C)NCCC1CCC1=O 2230a_100000211957_200016118888 [1,0,0,1,0,0|2,0,0]=4 787 B15R1.1398 CCCCCC(C)OCCC1CCC1=O 7a_100011215632_200016118888 [1,0,0,1,0,0|2,0,0]=4 788 B15R1.1398 CCCCCC(C)SCCC1CCC1=O 62a_200011218191_200016118888 [1,0,0,1,0,0|2,0,0]=4 789 B15R1.1398 CCCCCC(C)SCCC1CCC1=O 62a_200016118888_200011218191 [1,0,0,1,0,0|2,0,0]=4 790 B15R1.3388 CCCCCC(C)N[C@H]1C[C@H](C1)C(=O)O 269956a_100000738708_200011218191 [1,0,0,1,0,0|1,0,0]=3 791 B15R1.3669 CC(CNCC(C)N1CCCC1)C(=O)O 269956a_100000749485_200015187269 [1,0,0,1,0,0|2,0,0]=4 792 B15R1.15940 CC(=O)C(C)COCC1CCCCCC1 34a_100000032740_200000696569 [1,0,0,1,0,0|2,0,0]=4 793 B15R1.15940 CC(=O)C(C)COCC1CCCCCC1 7a_100000032740_200000696569 [1,0,0,1,0,0|2,0,0]=4 794 B15R1.15940 CC(=O)C(C)NCCC1CCCCCC1 2230a_100011532351_100009814033 [1,0,0,1,0,0|2,0,0]=4 795 B15R1.15940 CC(CNCC1CCCCCC1)C(=O)O 269956a_100000749485_200000696569 [1,0,0,1,0,0|1,0,0]=3 796 B15R1.15940 CC(NCCC1CCCCCC1)C(=O)N 2230a_100011532351_100000702099 [1,0,0,1,0,0|2,0,0]=4 797 B15R1.15940 CC(NCCC1CCCCCC1)C(=O)N 34a_100011532351_100000702099 [1,0,0,1,0,0|2,0,0]=4 798 B15R1.15940 C[C@H](NCCN1CCCCCC1)C(=O)O 269956a_100000743915_100000722644 [1,0,0,1,0,0|2,0,0]=4 799 B15R1.15940 O=C(O)C(F)CNCC1CCCCCC1 269956a_100000084737_200000696569 [1,0,0,1,0,0|2,0,0]=4 800 B15R1.32337 CCCCCN1CCCC(CC1)C(=O)O 269956a_100000134118_100000210326 [1,0,0,1,0,0|1,0,0]=3 801 B15R1.32337 CCOCCN1CCCC(CC1)C(=O)O 269956a_100000134118_100000210147 [1,0,0,1,0,0|2,0,0]=4 802 B15R1.32337 CCSCCN1CCCC(CC1)C(=O)O 269956a_100000134118_100000757381 [1,0,0,1,0,0|2,0,0]=4 803 B15R1.32337 COCCCN1CCCC(CC1)C(=O)O 269956a_100000134118_100000740836 [1,0,0,1,0,0|2,0,0]=4 804 B15R1.32337 O=C(O)C1CCCN(CC1)CCCCF 269956a_100000134118_100000729493 [1,0,0,1,0,0|2,0,0]=4 805 B15R1.32337 O=C(O)C1CCCN(CC1)CCCCO 269956a_100000134118_100000210776 [1,0,0,1,0,0|2,0,0]=4 806 B15R1.1496 CC(C)CCCC(C)NC1CC(C1)CO 270004a_100000095622_100000753411 [1,0,0,1,0,0|1,0,1]=4 807 B15R1.1496 CC(C)CCCC(C)NC1CC(C1)CO 270004a_100000210607_100000101936 [1,0,0,1,0,0|1,0,1]=4 808 B15R1.3825 C=CC(C)O[C@H]1C[C@H](CC[C@@H]1C(C)C)C 34a_100000695699_200009893639 [1,0,0,1,0,0|2,0,0]=4 809 B15R1.3825 C=CC(C)S[C@H]1C[C@H](CC[C@@H]1C(C)C)C 62a_100011215867_200009893639 [1,0,0,1,0,0|2,0,0]=4 810 B15R1.3825 CC(C)[C@@H]1CC[C@H](CC1N[C@H](C)CO)C 269862a_100000737577_100009815803 [1,0,0,1,0,0|1,0,1]=4 811 B15R1.3825 CC(C)[C@H]1CC[C@@H](C[C@@H]1S[C@H](C)CO)C 62a_100016084084_200009893639 [1,0,0,1,0,0|1,0,1]=4 812 B15R1.3825 CC(C)[C@H]1CC[C@@H](C[C@@H]1S[C@H](C)CO)C 62a_200009893639_100016084084 [1,0,0,1,0,0|1,0,1]=4 813 B15R1.3825 CC(CO)N[C@@H]1C[C@@H](CC[C@H]1C(C)C)C 2230a_100025773825_100012180447 [1,0,0,1,0,0|1,0,1]=4 814 B15R1.3825 CC(CO)N[C@@H]1C[C@@H](CC[C@H]1C(C)C)C 34a_100025773825_100012180447 [1,0,0,1,0,0|1,0,1]=4 815 B15R1.3825 CC(CO)O[C@H]1C[C@H](CC[C@@H]1C(C)C)C 34a_100000763588_100012180447 [1,0,0,1,0,0|1,0,1]=4 816 B15R1.3825 CC(CO)O[C@H]1C[C@H](CC[C@@H]1C(C)C)C 7a_100000763588_100012180447 [1,0,0,1,0,0|1,0,1]=4 817 B15R1.3825 CC(CO)S[C@H]1C[C@H](CC[C@@H]1C(C)C)C 62a_100012180447_200009893639 [1,0,0,1,0,0|1,0,1]=4 818 B15R1.4103 CC(C)CCCC(C)N1CCC(C1)CO 270004a_100000748654_100000753411 [1,0,0,1,0,0|1,0,1]=4 819 B15R1.8993 CC(C)CCCC(C)CCNC1COC1 2230a_100016991112_100009816328 [1,0,0,1,0,0|1,0,1]=4 820 B15R1.8993 CC(C)CCCC(C)CCOC1COC1 34a_100000015991_100009818527 [1,0,0,1,0,0|1,0,1]=4 821 B15R1.8993 CC(C)CCCC(C)CCOC1COC1 7a_100000015991_100009818527 [1,0,0,1,0,0|1,0,1]=4 822 B15R1.8993 CC(C)CCCC(C)CCSC1COC1 62a_100009816328_100009818527 [1,0,0,1,0,0|1,0,1]=4 823 B15R1.11629 CC(CO)CCNC1CCCC(C1)(C)C 270004a_106354213184_100000031663 [1,0,0,1,0,0|1,0,1]=4 824 B15R1.25565 CC(C)CCCN1CCCN(C(=O)C1)C 2230a_100000709885_100011214892 [1,0,0,1,0,0|2,0,0]=4 825 B15R1.25565 CC(C)CCCN1CCCN(C(=O)C1)C 269982a_100000709885_100011214892 [1,0,0,1,0,0|2,0,0]=4 826 B15R1.25565 CC(C)CCCN1CCCN(C(=O)C1)C 34a_100000709885_100011214892 [1,0,0,1,0,0|2,0,0]=4 827 B15R1.38786 CNC(C)CCC1C(CCCC1(C)C)C 270004a_106832991635_100000039614 [1,0,0,1,0,0|2,0,0]=4 828 B15R1.259 CC(C)CCCCCCNC1CCC1=O 34a_100000211014_100009892977 [1,0,0,1,0,0|2,0,0]=4 829 B15R1.259 CC(C)CCCCOCCC1CCC1=O 7a_100011214890_200016118888 [1,0,0,1,0,0|2,0,0]=4 830 B15R1.259 CC(C)CCCCSCCC1CCC1=O 62a_100011216152_200016118888 [1,0,0,1,0,0|2,0,0]=4 831 B15R1.259 CC(C)CCCCSCCC1CCC1=O 62a_200016118888_100011216152 [1,0,0,1,0,0|2,0,0]=4 832 B15R1.8875 CC(=O)C(C)OC1CCCCC1C(C)C 7a_100011709184_100000179758 [1,0,0,1,0,0|2,0,0]=4 833 B15R1.8875 CC(OC1CCCCC1C(C)C)C(=O)N 34a_100011709184_100000702099 [1,0,0,1,0,0|2,0,0]=4 834 B15R1.8875 CC(OC1CCCCC1C(C)C)C(=O)N 7a_100011709184_100000702099 [1,0,0,1,0,0|2,0,0]=4 835 B15R1.8961 CC(C)CCCCCN1CC(C1)C(=O)N 34a_100025753142_100000210682 [1,0,0,1,0,0|2,0,0]=4 836 B15R1.8961 CC(C)CCCCN[C@H]1C[C@H](C1)C(=O)O 269956a_100000738708_100011216152 [1,0,0,1,0,0|1,0,0]=3 837 B15R1.8961 CN(C)CCCCN[C@H]1C[C@H](C1)C(=O)O 269956a_100000738708_100000690147 [1,0,0,1,0,0|2,0,0]=4 838 B15R1.8985 CC(=O)C(C)N1CCCCCC1C(C)C 2230a_100000697956_100009814033 [1,0,0,1,0,0|2,0,0]=4 839 B15R1.8985 CC(=O)C(C)N1CCCCCC1C(C)C 269982a_100000697956_100009814033 [1,0,0,1,0,0|2,0,0]=4 840 B15R1.8985 CC(C)C1CCCCCN1C(C)C(=O)N 2230a_100000697956_100000702099 [1,0,0,1,0,0|2,0,0]=4 841 B15R1.8985 CC(C)C1CCCCCN1C(C)C(=O)N 269982a_100000697956_100000184083 [1,0,0,1,0,0|2,0,0]=4 842 B15R1.8985 CC(C)C1CCCCCN1C(C)C(=O)N 34a_100000697956_100000702099 [1,0,0,1,0,0|2,0,0]=4 843 B15R1.23929 CC(C)CCN1CCCCC1(C)C(=O)O 269956a_100000698061_100000210312 [1,0,0,1,0,0|1,0,0]=3 844 B15R1.23929 CC(C)OCN1CCCCC1(C)C(=O)O 269956a_100000698061_100000709892 [1,0,0,1,0,0|2,0,0]=4 845 B15R1.23929 CC(O)CCN1CCCCC1(C)C(=O)O 269956a_100000698061_100012276601 [1,0,0,1,0,0|2,0,0]=4 846 B15R1.23929 CN(C)CCN1CCCCC1(C)C(=O)O 269956a_100000698061_100000755713 [1,0,0,1,0,0|2,0,0]=4 847 B15R1.30957 CC(C)CCCN1CCC[C@@]1(C)C(=O)O 269956a_100009816582_100011214892 [1,0,0,1,0,0|1,0,0]=3 848 B15R1.30957 CC(C)OCCN1CCC[C@@]1(C)C(=O)O 269956a_100009816582_100000211751 [1,0,0,1,0,0|2,0,0]=4 849 B15R1.30957 CC(C)SCCN1CCC[C@@]1(C)C(=O)O 269956a_100009816582_100000730970 [1,0,0,1,0,0|2,0,0]=4 850 B15R1.30957 CC(O)CCCN1CCC[C@@]1(C)C(=O)O 269956a_100009816582_200000718107 [1,0,0,1,0,0|2,0,0]=4 851 B15R1.30957 CN(C)CCCN1CCC[C@@]1(C)C(=O)O 269956a_100009816582_100000757444 [1,0,0,1,0,0|2,0,0]=4 852 B15R1.1080 CC(C)CCCN1CCC(CC1)C(=O)N 2230a_100000210938_100011214892 [0,0,0,1,1,0|2,0,0]=4 853 B15R1.1080 CC(C)CCCN1CCC(CC1)C(=O)N 269982a_100000210938_100011214892 [0,0,0,1,1,0|2,0,0]=4 854 B15R1.1080 CC(C)CCCN1CCC(CC1)C(=O)N 34a_100000210938_100011214892 [0,0,0,1,1,0|2,0,0]=4 855 B15R1.1080 CC(C)CCCN1CCC(CC1)C(=O)O 269956a_100000210459_100011214892 [0,0,0,1,1,0|1,0,0]=3 856 B15R1.1080 CC(C)CCNC1CCC(CC1)C(=O)N 270004a_100000210545_200000102705 [0,0,0,1,1,0|2,0,0]=4 857 B15R1.1080 CC(C)CCN[C@H]1CC[C@H](CC1)C(=O)O 269956a_100009815960_100000210312 [0,0,0,1,1,0|1,0,0]=3 858 B15R1.1080 CC(C)CNC[C@H]1CC[C@@H](CC1)C(=O)O 269956a_100000694822_100000210760 [0,0,0,1,1,0|1,0,0]=3 859 B15R1.1080 CC(C)OCCN1CCC(CC1)C(=O)O 269956a_100000210459_100000211751 [0,0,0,1,1,0|2,0,0]=4 860 B15R1.1080 CC(C)OCN[C@H]1CC[C@H](CC1)C(=O)O 269956a_100009815960_100000709892 [0,0,0,1,1,0|2,0,0]=4 861 B15R1.1080 CC(C)SCCN1CCC(CC1)C(=O)O 269956a_100000210459_100000730970 [0,0,0,1,1,0|2,0,0]=4 862 B15R1.1080 CC(O)CCCN1CCC(CC1)C(=O)O 269956a_100000210459_200000718107 [0,0,0,1,1,0|2,0,0]=4 863 B15R1.1080 CC(O)CCN[C@H]1CC[C@H](CC1)C(=O)O 269956a_100009815960_100012276601 [0,0,0,1,1,0|2,0,0]=4 864 B15R1.1080 CC(O)CNC[C@H]1CC[C@@H](CC1)C(=O)O 269956a_100000694822_100011218427 [0,0,0,1,1,0|2,0,0]=4 865 B15R1.1080 CN(C)CCCN1CCC(CC1)C(=O)O 269956a_100000210459_100000757444 [0,0,0,1,1,0|2,0,0]=4 866 B15R1.1080 CN(C)CCN[C@H]1CC[C@H](CC1)C(=O)O 269956a_100009815960_100000755713 [0,0,0,1,1,0|2,0,0]=4 867 B15R1.1080 C[C@@H](O)CNC[C@H]1CC[C@@H](CC1)C(=O)O 269956a_100000694822_100009817552 [0,0,0,1,1,0|2,0,0]=4 868 B15R1.8938 CC(C)N1CCC(C1)CN[C@@H](C)C(=O)O 269956a_100000743915_100015187125 [0,0,0,1,1,0|2,0,0]=4 869 B15R1.15986 CC(CNC1CCOC(C1)(C)C)C(=O)O 269956a_100000749485_100010191092 [0,0,0,1,1,0|2,0,0]=4 870 B15R1.31247 CC(C)CCCC(C)N1CC(C1)C(=O)N 270004a_100025753142_100000753411 [0,0,0,1,1,0|2,0,0]=4 871 B15R1.112 CC(CNCC1CCN(CC1)C)C(=O)O 269956a_100000749485_100015183002 [0,0,0,1,1,0|2,0,0]=4 872 B15R1.3929 CC(C)CCC(C)N1CCC(C1)C(=O)N 2230a_100000752358_100011261404 [0,0,0,1,1,0|2,0,0]=4 873 B15R1.3929 CC(C)CCC(C)N1CCC(C1)C(=O)N 269982a_100000752358_100011261404 [0,0,0,1,1,0|2,0,0]=4 874 B15R1.3929 CC(C)CCC(C)N1CCC(C1)C(=O)N 270004a_100000752358_100000210476 [0,0,0,1,1,0|2,0,0]=4 875 B15R1.3929 CC(C)CCC(C)N1CCC(C1)C(=O)N 34a_100000752358_100011261404 [0,0,0,1,1,0|2,0,0]=4 876 B15R1.5739 CC(C)CCC(C)NCCC1CCC1=O 2230a_100138410893_200016118888 [0,0,0,1,1,0|2,0,0]=4 877 B15R1.5739 CC(C)CCC(C)OCCC1CCC1=O 7a_100011215350_200016118888 [0,0,0,1,1,0|2,0,0]=4 878 B15R1.5739 CC(C)CCC(C)SCCC1CCC1=O 62a_100011261404_200016118888 [0,0,0,1,1,0|2,0,0]=4 879 B15R1.5739 CC(C)CCC(C)SCCC1CCC1=O 62a_200016118888_100011261404 [0,0,0,1,1,0|2,0,0]=4 880 B15R1.16778 CC(C)CCC(C)N[C@H]1C[C@H](C1)C(=O)O 269956a_100000738708_100011261404 [0,0,0,1,1,0|1,0,0]=3 881 B15R1.31015 CC(C)CCN1CCCC(CC1)C(=O)O 269956a_100000134118_100000210312 [0,0,0,1,1,0|1,0,0]=3 882 B15R1.31015 CC(C)OCN1CCCC(CC1)C(=O)O 269956a_100000134118_100000709892 [0,0,0,1,1,0|2,0,0]=4 883 B15R1.31015 CC(O)CCN1CCCC(CC1)C(=O)O 269956a_100000134118_100012276601 [0,0,0,1,1,0|2,0,0]=4 884 B15R1.31015 CN(C)CCN1CCCC(CC1)C(=O)O 269956a_100000134118_100000755713 [0,0,0,1,1,0|2,0,0]=4 885 B17R1.8254 CC(C)CCCC(C)CCNC1CNC(=O)C1 2230a_100000697751_100009816328 [0,0,0,1,0,1|2,0,0]=4 886 B17R1.8254 CC(C)CCCC(C)CCOC1CCC(=O)C1 34a_100012614533_100009816328 [0,0,0,1,0,1|2,0,0]=4 887 B17R1.8254 CC(C)CCCC(C)CCOC1CNC(=O)C1 34a_100000690082_100009816328 [0,0,0,1,0,1|2,0,0]=4 888 B17R1.8254 CC(C)CCCC(C)CCOC1COC(=O)O1 34a_100000015991_100000032252 [0,0,0,1,0,1|1,0,0]=3 889 B17R1.8254 CC(C)CCCC(C)CCSC1COC(=O)O1 62a_100009816328_100000032252 [0,0,0,1,0,1|1,0,0]=3 890 B17R1.8254 CC(C)CCCC(C)OCCC1COS(=O)O1 7a_200011218570_100009840081 [0,0,0,1,0,1|2,0,0]=4 891 B17R1.14621 CC(=O)OC(C)S[C@H]1C[C@H](CC[C@@H]1C(C)C)C 62a_100009818208_200009893639 [0,0,0,1,0,1|2,0,0]=4 892 B17R1.14621 CC(=O)OC(C)S[C@H]1C[C@H](CC[C@@H]1C(C)C)C 62a_200009893639_100009818208 [0,0,0,1,0,1|2,0,0]=4 893 B17R1.16377 CC(=O)N[C@H]1CCN(C1)C(C)CCCC(C)C 270004a_100016989438_100000753411 [0,0,0,1,0,1|2,0,0]=4 894 B17R1.1066 CC(C)CCCC(C)NC1CCN(C(=O)C1)C 270004a_100000126938_100000753411 [0,0,0,1,0,1|2,0,0]=4 895 B17R1.8506 CC(C)CCCC(C)CCN1C[C@H]([C@H](C1)O)C 2230a_200015306588_100009816328 [0,0,0,1,0,1|1,0,1]=4 896 B17R1.8506 CC(C)CCCC(C)CCN1C[C@H]([C@H](C1)O)C 269982a_200015306588_100009816328 [0,0,0,1,0,1|1,0,1]=4 897 B17R1.14599 CC(=O)C(C)CO[C@H]1C[C@H](CC[C@@H]1C(C)C)C 34a_100000032740_200009893639 [0,0,0,1,0,1|1,0,0]=3 898 B17R1.14599 CC(C)[C@H]1CC[C@@H](C[C@@H]1NCC(F)C(=O)O)C 269956a_100000084737_200009893639 [0,0,0,1,0,1|1,0,0]=3 899 B17R1.14599 CC(C)[C@H]1CC[C@@H](C[C@@H]1OCC(C)[N+](=O)[O-])C 34a_100000039676_200009893639 [0,0,0,1,0,1|1,0,1]=4 900 B17R1.14599 CC(C)[C@H]1CC[C@@H](C[C@@H]1OC[C@H](N)C(=O)N)C 34a_100000729942_200009893639 [0,0,0,1,0,1|2,0,0]=4 901 B17R1.14599 CC(CN[C@H]1C[C@H](CC[C@@H]1C(C)C)C)C(=O)O 269956a_100000749485_200009893639 [0,0,0,1,0,1|0,0,0]=2 902 B17R1.16382 CC(C)CCCC(C)N1CCCC(C1)C(=O)N 270004a_100000195536_100000753411 [0,0,0,1,0,1|1,0,0]=3 903 B17R1.16382 CC(C)CCCC(C)N1CCCC(C1)C(C)O 270004a_100000740858_100000753411 [0,0,0,1,0,1|1,0,1]=4 904 B17R1.16382 CC(C)CCCC(C)N1CCOC(C1)C(=O)N 270004a_100000748043_100000753411 [0,0,0,1,0,1|2,0,0]=4 905 B17R1.16382 CC(C)OCCC(C)N1CCCC(C1)C(=O)N 270004a_100000195536_200011219172 [0,0,0,1,0,1|2,0,0]=4 906 B17R1.26268 CC(=O)N1CCC(C1)NC(C)CCCC(C)C 270004a_100000705975_100000753411 [0,0,0,1,0,1|2,0,0]=4 907 B17R1.76830 CC(C)CCCC(C)N1CCCN(C(=O)C1)C 270004a_100000709885_100000753411 [0,0,0,1,0,1|2,0,0]=4 908 B17R1.103056 CC(C)CCCC(C)CCN1CC(C1)C(=O)N 34a_100025753142_100009816328 [0,0,0,1,0,1|1,0,0]=3 909 B17R1.16334 CC(C)COCCC(C)N1CCC(C1)C(=O)N 270004a_100000752358_200011216429 [0,0,0,1,0,1|2,0,0]=4 910 B17R1.102519 CC(C)CCCCN1CCCC(CC1)C(=O)O 269956a_100000134118_100011216152 [0,0,0,1,0,1|1,0,0]=3 911 B17R1.102519 CN(C)CCCCN1CCCC(CC1)C(=O)O 269956a_100000134118_100000690147 [0,0,0,1,0,1|2,0,0]=4 912 B17R1.152931 CCN(C)CCCN1CCCC(CC1)C(=O)O 269956a_100000134118_100015186262 [0,1,0,1,0,0|2,0,0]=4 913 B17R1.2205 COC(=O)C(C)CCNC1CCOC(C1)(C)C 2230a_100000696200_100000034942 [0,1,0,1,0,0|2,0,0]=4 914 B17R1.2205 COC(=O)C(C)CCOC1CCCC(C1)(C)C 7a_100011995757_100000034942 [0,1,0,1,0,0|1,0,0]=3 915 B17R1.2205 COC(=O)C(C)CCOC1CCOC(C1)(C)C 34a_100000693217_100000034942 [0,1,0,1,0,0|2,0,0]=4 916 B17R1.2205 COC(=O)C(C)CCOC1CCOC(C1)(C)C 7a_100000693217_100000034942 [0,1,0,1,0,0|2,0,0]=4 917 B17R1.2205 COC(=O)C(C)CCSC1CCOC(C1)(C)C 62a_100000034942_100010191092 [0,1,0,1,0,0|2,0,0]=4 918 B17R1.2205 COC(=O)C(C)CCSC1CCOC(C1)(C)C 62a_100010191092_100000034942 [0,1,0,1,0,0|2,0,0]=4 919 B17R1.8320 CC(O[C@H]1C[C@H](CC[C@@H]1C(C)C)C)C(=O)NN 34a_100000725659_200009893639 [0,1,0,1,0,0|2,0,0]=4 920 B17R1.8320 CCC(=O)C(C)N[C@@H]1C[C@@H](CC[C@H]1C(C)C)C 2230a_100025773825_100000742827 [0,1,0,1,0,0|2,0,0]=4 921 B17R1.8320 CCC(=O)C(C)O[C@H]1C[C@H](CC[C@@H]1C(C)C)C 7a_100000763588_100000742827 [0,1,0,1,0,0|2,0,0]=4 922 B17R1.8320 CCC(=O)C(C)S[C@H]1C[C@H](CC[C@@H]1C(C)C)C 62a_100000742827_200009893639 [0,1,0,1,0,0|2,0,0]=4 923 B17R1.8320 CCC(=O)C(C)S[C@H]1C[C@H](CC[C@@H]1C(C)C)C 62a_200009893639_100000742827 [0,1,0,1,0,0|2,0,0]=4 924 B17R1.8320 CNC(=O)C(C)N[C@@H]1C[C@@H](CC[C@H]1C(C)C)C 2230a_100025773825_100000731044 [0,1,0,1,0,0|2,0,0]=4 925 B17R1.8320 CNC(=O)C(C)N[C@@H]1C[C@@H](CC[C@H]1C(C)C)C 34a_100025773825_100000731044 [0,1,0,1,0,0|2,0,0]=4 926 B17R1.8320 CNC(=O)C(C)O[C@H]1C[C@H](CC[C@@H]1C(C)C)C 34a_100000763588_100000731044 [0,1,0,1,0,0|2,0,0]=4 927 B17R1.8320 CNC(=O)C(C)O[C@H]1C[C@H](CC[C@@H]1C(C)C)C 7a_100000763588_100000209862 [0,1,0,1,0,0|2,0,0]=4 928 B17R1.8320 CNC(=O)C(C)S[C@H]1C[C@H](CC[C@@H]1C(C)C)C 62a_100000209862_200009893639 [0,1,0,1,0,0|2,0,0]=4 929 B17R1.8320 CNC(=O)C(C)S[C@H]1C[C@H](CC[C@@H]1C(C)C)C 62a_200009893639_100000731044 [0,1,0,1,0,0|2,0,0]=4 930 B17R1.8320 CNC(=O)[C@@H](C)N[C@H]1C[C@H](CC[C@@H]1C(C)C)C 34a_100000684985_200009893639 [0,1,0,1,0,0|2,0,0]=4 931 B17R1.8320 COC(=O)C(C)N[C@@H]1C[C@@H](CC[C@H]1C(C)C)C 2230a_100025773825_100000211248 [0,1,0,1,0,0|1,0,0]=3 932 B17R1.8320 COC(=O)C(C)N[C@@H]1C[C@@H](CC[C@H]1C(C)C)C 34a_100025773825_100000211248 [0,1,0,1,0,0|1,0,0]=3 933 B17R1.8320 COC(=O)C(C)O[C@H]1C[C@H](CC[C@@H]1C(C)C)C 34a_100000763588_100000211248 [0,1,0,1,0,0|1,0,0]=3 934 B17R1.8320 COC(=O)C(C)O[C@H]1C[C@H](CC[C@@H]1C(C)C)C 34a_100011215400_200009893639 [0,1,0,1,0,0|1,0,0]=3 935 B17R1.8320 COC(=O)C(C)O[C@H]1C[C@H](CC[C@@H]1C(C)C)C 7a_100000763588_100000211248 [0,1,0,1,0,0|1,0,0]=3 936 B17R1.8320 COC(=O)C(C)S[C@H]1C[C@H](CC[C@@H]1C(C)C)C 62a_100000211248_200009893639 [0,1,0,1,0,0|1,0,0]=3 937 B17R1.8320 COC(=O)C(C)S[C@H]1C[C@H](CC[C@@H]1C(C)C)C 62a_200009893639_100000211248 [0,1,0,1,0,0|1,0,0]=3 938 B17R1.9205 CC(C)CCCC(C)CCNC1CCCC1=O 2230a_102516457229_100000211823 [0,1,0,1,0,0|2,0,0]=4 939 B17R1.9205 CC(C)CCCC(C)CCNC1CCNC1=O 2230a_100016995588_100009816328 [0,1,0,1,0,0|2,0,0]=4 940 B17R1.9205 CC(C)CCCC(C)CCNC1CCNC1=O 34a_100016995588_100009816328 [0,1,0,1,0,0|2,0,0]=4 941 B17R1.9205 CC(C)CCCC(C)CCNC1CCOC1=O 2230a_102516457229_100000211211 [0,1,0,1,0,0|1,0,0]=3 942 B17R1.9205 CC(C)CCCC(C)CCN[C@@H]1CONC1=O 2230a_100000765999_100009816328 [0,1,0,1,0,0|1,0,0]=3 943 B17R1.9205 CC(C)CCCC(C)CCN[C@@H]1CONC1=O 34a_100000765999_100009816328 [0,1,0,1,0,0|1,0,0]=3 944 B17R1.9205 CC(C)CCCC(C)CCOC1CCCC1=O 34a_100000015991_100000709159 [0,1,0,1,0,0|2,0,0]=4 945 B17R1.9205 CC(C)CCCC(C)CCOC1CCCC1=O 34a_200000719330_100009816328 [0,1,0,1,0,0|2,0,0]=4 946 B17R1.9205 CC(C)CCCC(C)CCOC1CCCC1=O 7a_100000015991_100000211823 [0,1,0,1,0,0|2,0,0]=4 947 B17R1.9205 CC(C)CCCC(C)CCOC1CCOC1=O 34a_100000015991_100000211211 [0,1,0,1,0,0|1,0,0]=3 948 B17R1.9205 CC(C)CCCC(C)CCOC1CCOC1=O 7a_100000015991_100000211211 [0,1,0,1,0,0|1,0,0]=3 949 B17R1.9205 CC(C)CCCC(C)CCO[C@H]1CCNC1=O 34a_100000688343_100009816328 [0,1,0,1,0,0|2,0,0]=4 950 B17R1.9205 CC(C)CCCC(C)CCSC1CCCC1=O 62a_100000211823_100009816328 [0,1,0,1,0,0|2,0,0]=4 951 B17R1.9205 CC(C)CCCC(C)CCSC1CCCC1=O 62a_100009816328_100000211823 [0,1,0,1,0,0|2,0,0]=4 952 B17R1.9205 CC(C)CCCC(C)CCSC1CCOC1=O 62a_100000211211_100009816328 [0,1,0,1,0,0|1,0,0]=3 953 B17R1.9205 CC(C)CCCC(C)CCSC1CCOC1=O 62a_100009816328_100000211211 [0,1,0,1,0,0|1,0,0]=3 954 B17R1.24127 CNC(=O)C1CCN(C1)C(C)CCCC(C)C 270004a_100020588580_100000753411 [0,1,0,1,0,0|2,0,0]=4 955 B17R1.24127 COC(=O)C1CCC(C1)C(=O)CCCC(C)C 1458a_100000684823_100011214892 [0,1,0,1,0,0|1,0,1]=4 956 B17R1.24127 COC(=O)[C@@H]1CCN(C1)C(C)CCCC(C)C 270004a_100016989057_100000753411 [0,1,0,1,0,0|1,0,0]=3 957 B17R1.24127 COC(=O)[C@@H]1CCN(C1)C(C)CCOC(C)C 270004a_100016989057_200011219172 [0,1,0,1,0,0|2,0,0]=4 958 B17R1.31586 COC(=O)C(C)CCNC1CCN(C1)C(C)C 2230a_100000746141_100000034942 [0,1,0,1,0,0|2,0,0]=4 959 B17R1.31586 COC(=O)C(C)CNCC1CCN(C1)C(C)C 34a_100000743801_100000698445 [0,1,0,1,0,0|2,0,0]=4 960 B17R1.31586 COC(=O)C(C)COCC1CCN(C1)C(C)C 34a_100000749362_100015187125 [0,1,0,1,0,0|2,0,0]=4 961 B17R1.31586 COC(=O)C(C)COCC1CCN(C1)C(C)C 34a_200011652538_100000698445 [0,1,0,1,0,0|2,0,0]=4 962 B17R1.31586 COC(=O)C(C)CSCC1CCN(C1)C(C)C 62a_100000698445_100015187125 [0,1,0,1,0,0|2,0,0]=4 963 B17R1.31586 COC(=O)C(C)CSCC1CCN(C1)C(C)C 62a_100015187125_100000698445 [0,1,0,1,0,0|2,0,0]=4 964 B17R1.136592 COC(=O)N1CCCN(CC1)CCCC(C)C 2230a_100000748934_100011214892 [0,1,0,1,0,0|2,0,0]=4 965 B17R1.136592 COC(=O)N1CCCN(CC1)CCCC(C)C 269982a_100000748934_100011214892 [0,1,0,1,0,0|2,0,0]=4 966 B17R1.136809 COC(=O)C1CC(C1)OC(C)CCCC(C)C 34a_200011218570_100009897219 [0,1,0,1,0,0|1,0,0]=3 967 B17R1.136809 COC(=O)C1CC(C1)OC(C)CCCC(C)C 7a_200011218570_100009897219 [0,1,0,1,0,0|1,0,0]=3 968 B17R1.141593 COC(=O)C1CN1CCC(C)CCCC(C)C 2230a_200009830135_100009816328 [0,1,0,1,0,0|1,0,0]=3 969 B17R1.101985 CC(C)(O)CCCN1CCCC(CC1)C(=O)O 269956a_100000134118_100009888830 [0,1,0,1,0,0|1,0,0]=3 970 B17R1.101985 C[N+](C)(C)CCCN1CCCC(CC1)C(=O)O 269956a_100000134118_100016990835 [0,1,0,1,0,0|2,0,0]=4 971 B17R1.101985 C[Si](C)(C)CCCN1CCCC(CC1)C(=O)O 269956a_100000134118_100011219597 [0,1,0,1,0,0|1,1,0]=4 972 B17R1.16380 CC(C)CCCC(C)N1CCC(CC1)C(=O)N 270004a_100000210938_100000753411 [0,1,0,1,0,0|2,0,0]=4 973 B17R1.19418 C=C[C@H](N[C@H]1C[C@H](CC[C@@H]1C(C)C)C)C(=O)O 269956a_100016992060_200009893639 [0,1,0,1,0,0|1,0,1]=4 974 B17R1.19418 CC(C)[C@H]1CC[C@@H](C[C@@H]1NC(CO)C(=O)O)C 269956a_100000187304_200009893639 [0,1,0,1,0,0|1,0,0]=3 975 B17R1.19418 CC(C)[C@H]1CC[C@@H](C[C@@H]1N[C@@H](CO)C(=O)N)C 34a_100000729942_200009893639 [0,1,0,1,0,0|2,0,0]=4 976 B17R1.19418 CCC(N[C@@H]1C[C@@H](CC[C@H]1C(C)C)C)C(=O)N 2230a_100025773825_100000750255 [0,1,0,1,0,0|2,0,0]=4 977 B17R1.19418 CCC(N[C@@H]1C[C@@H](CC[C@H]1C(C)C)C)C(=O)N 34a_100025773825_100000750255 [0,1,0,1,0,0|2,0,0]=4 978 B17R1.19418 CCC(N[C@H]1C[C@H](CC[C@@H]1C(C)C)C)C(=O)N 34a_100000733705_200009893639 [0,1,0,1,0,0|2,0,0]=4 979 B17R1.19418 CCC(O[C@H]1C[C@H](CC[C@@H]1C(C)C)C)C(=O)N 34a_100000763588_100000750255 [0,1,0,1,0,0|2,0,0]=4 980 B17R1.19418 CCC(O[C@H]1C[C@H](CC[C@@H]1C(C)C)C)C(=O)N 7a_100000763588_100000750255 [0,1,0,1,0,0|2,0,0]=4 981 B17R1.19418 CCC(S[C@H]1C[C@H](CC[C@@H]1C(C)C)C)C(=O)N 62a_100000750255_200009893639 [0,1,0,1,0,0|2,0,0]=4 982 B17R1.19418 CCC(S[C@H]1C[C@H](CC[C@@H]1C(C)C)C)C(=O)N 62a_200009893639_100000750255 [0,1,0,1,0,0|2,0,0]=4 983 B17R1.19418 CC[C@@H](N[C@H]1C[C@H](CC[C@@H]1C(C)C)C)C(=O)O 269956a_100000747097_200009893639 [0,1,0,1,0,0|1,0,0]=3 984 B17R1.150359 CC(C)CCCC(C)CCN1CCC1C(=O)O 269956a_100000021838_100009816328 [0,1,0,1,0,0|1,0,0]=3 985 B17R1.193661 CCC1(CCCN(C1)CCCC(C)C)C(=O)N 2230a_100015185036_100011214892 [0,1,0,1,0,0|2,0,0]=4 986 B17R1.193661 CCC1(CCCN(C1)CCCC(C)C)C(=O)N 269982a_100015185036_100011214892 [0,1,0,1,0,0|2,0,0]=4 987 B17R1.193661 CCC1(CCCN(C1)CCCC(C)C)C(=O)N 34a_100015185036_100011214892 [0,1,0,1,0,0|2,0,0]=4 988 B17R1.410806 CC(=O)C1(CC1)SCCC(C)CCCC(C)C 62a_100000086384_100009816328 [0,1,0,1,0,0|2,0,0]=4 989 B17R1.410806 CC(=O)C1(CC1)SCCC(C)CCCC(C)C 62a_100009816328_100000086384 [0,1,0,1,0,0|2,0,0]=4 990 B17R1.410806 CC(C)CCCC(C)CCNC1(CC1)C(=O)N 2230a_100000687655_100009816328 [0,1,0,1,0,0|2,0,0]=4 991 B17R1.410806 CC(C)CCCC(C)CCNC1(CC1)C(=O)O 269956a_100000746478_100009816328 [0,1,0,1,0,0|1,0,0]=3 992 B17R1.410806 CC(C)CCCC(C)CCOC1(CC1)C(=O)N 34a_100000015991_100010760883 [0,1,0,1,0,0|2,0,0]=4 993 B17R1.410806 CC(C)CCCC(C)CCOC1(CC1)C(=O)N 7a_100000015991_100010760883 [0,1,0,1,0,0|2,0,0]=4 994 B17R1.410806 CC(C)CCCC(C)CCSC1(CC1)C(=O)N 62a_100009816328_100010760883 [0,1,0,1,0,0|2,0,0]=4 995 B17R1.410806 CC(C)CCCC(C)CCSC1(CC1)C(=O)N 62a_100010760883_100009816328 [0,1,0,1,0,0|2,0,0]=4 996 B17R1.13924 CC(C)CCCC(C)(C)OCCC1CCC1=O 7a_100011215742_200016118888 [0,1,0,1,0,0|2,0,0]=4 997 B17R1.14593 CC(=O)C(C)C(=O)[C@@H]1C[C@@H](CC[C@H]1C(C)C)C 1458a_100009868045_100000179758 [0,1,0,1,0,0|1,0,1]=4 998 B17R1.14593 CC(C(=O)N)C(=O)[C@@H]1C[C@@H](CC[C@H]1C(C)C)C 1458a_100009868045_100000702099 [0,1,0,1,0,0|1,0,1]=4 999 B17R1.14593 CC(C)[C@H]1CC[C@@H](C[C@@H]1N(C)C(C)C(=O)O)C 269956a_100000749554_200009893639 [0,1,0,1,0,0|1,0,0]=3 1000 B17R1.260236 CC(CN(C)C)CN1CCCC(CC1)C(=O)O 269956a_100000134118_100015348159 [0,1,0,1,0,0|2,0,0]=4 1001 B17R1.206707 CC(C)CCC(C)N1CCCC(CC1)C(=O)O 269956a_100000134118_100011261404 [0,1,0,1,0,0|1,0,0]=3 1002 B17R1.9112 CC(=O)C(C)(C)O[C@H]1C[C@H](CC[C@@H]1C(C)C)C 34a_100000747739_200009893639 [0,1,0,1,0,0|2,0,0]=4 1003 B17R1.9112 CC(=O)C(C)(C)O[C@H]1C[C@H](CC[C@@H]1C(C)C)C 7a_100000763588_100000075568 [0,1,0,1,0,0|2,0,0]=4 1004 B17R1.9112 CC(=O)C(C)(C)S[C@H]1C[C@H](CC[C@@H]1C(C)C)C 62a_100000075568_200009893639 [0,1,0,1,0,0|2,0,0]=4 1005 B17R1.9112 CC(=O)C(C)(C)S[C@H]1C[C@H](CC[C@@H]1C(C)C)C 62a_200009893639_100000075568 [0,1,0,1,0,0|2,0,0]=4 1006 B17R1.9112 CC(C)[C@@H]1CC[C@H](C[C@H]1NC(C)(C)C(=O)N)C 2230a_100025773825_100000702505 [0,1,0,1,0,0|2,0,0]=4 1007 B17R1.9112 CC(C)[C@@H]1CC[C@H](C[C@H]1NC(C)(C)C(=O)N)C 34a_100025773825_100000702505 [0,1,0,1,0,0|2,0,0]=4 1008 B17R1.9112 CC(C)[C@H]1CC[C@@H](C[C@@H]1NC(C)(C)C(=O)N)C 34a_100000743658_200009893639 [0,1,0,1,0,0|2,0,0]=4 1009 B17R1.9112 CC(C)[C@H]1CC[C@@H](C[C@@H]1OC(C)(C)C(=O)N)C 34a_100000763588_100000702505 [0,1,0,1,0,0|2,0,0]=4 1010 B17R1.9112 CC(C)[C@H]1CC[C@@H](C[C@@H]1OC(C)(C)C(=O)N)C 34a_100011626353_200009893639 [0,1,0,1,0,0|2,0,0]=4 1011 B17R1.9112 CC(C)[C@H]1CC[C@@H](C[C@@H]1OC(C)(C)C(=O)N)C 7a_100000763588_100000702505 [0,1,0,1,0,0|2,0,0]=4 1012 B17R1.9112 CC(C)[C@H]1CC[C@@H](C[C@@H]1SC(C)(C)C(=O)N)C 62a_100000702505_200009893639 [0,1,0,1,0,0|2,0,0]=4 1013 B17R1.9112 CC(C)[C@H]1CC[C@@H](C[C@@H]1SC(C)(C)C(=O)N)C 62a_200009893639_100000702505 [0,1,0,1,0,0|2,0,0]=4 1014 B17R1.16261 CC(C)N1CCC(C1)CNCC(C)(C)C(=O)O 269956a_100000693527_100015187125 [0,1,0,1,0,0|2,0,0]=4 1015 B17R2.146381 CN1CCC(C1)N2CCCC(CC2)C(=O)O 269956a_100000134118_200012183744 [0,0,0,2,0,0|2,0,0]=4 1016 B17R2.20933 CC(C)[C@@H]1CC[C@H](C[C@H]1NC2CCC2=O)C 34a_100025773825_100009892977 [0,0,0,2,0,0|2,0,0]=4 1017 B17R2.20933 CC(C)[C@H]1CC[C@@H](C[C@@H]1OC2CCC2=O)C 34a_100000763588_100009892977 [0,0,0,2,0,0|2,0,0]=4 1018 B17R2.20933 CC(C)[C@H]1CC[C@@H](C[C@@H]1OC2CCC2=O)C 7a_100000763588_100009892977 [0,0,0,2,0,0|2,0,0]=4 1019 B17R2.20933 CC(C)[C@H]1CC[C@@H](C[C@@H]1SC2CCC2=O)C 62a_100009892977_200009893639 [0,0,0,2,0,0|2,0,0]=4 1020 B17R2.20933 CC(C)[C@H]1CC[C@@H](C[C@@H]1SC2CCC2=O)C 62a_200009893639_100009892977 [0,0,0,2,0,0|2,0,0]=4 1021 B17R2.42107 CC1(CCCC(C1)OCCC2CCC2=O)C 7a_100011995757_200016118888 [0,0,0,2,0,0|2,0,0]=4 1022 B17R2.5648 CC1(CCCC(C1)N2CCC(C2)C(=O)N)C 270004a_100000752358_100000031663 [0,0,0,2,0,0|2,0,0]=4 1023 B17R2.948386 O=C(O)C1CCCN(CC1)CCCC2CO2 269956a_100000134118_100000733510 [0,0,0,2,0,0|2,0,0]=4 1024 B17R2.288227 CC1(CC(CCO1)N[C@H]2C[C@H](C2)C(=O)O)C 269956a_100000738708_100010191092 [0,0,0,2,0,0|2,0,0]=4 1025 B13R0.182 CC(=O)CCCCN(C)CCC(C)C 269982a_100000742789_100000735457 [1,0,0,0,1,0|2,0,0]=4 1026 B13R0.182 CC(=O)CCCOC(C)CCC(C)C 34a_100000759063_100011261404 [1,0,0,0,1,0|2,0,0]=4 1027 B13R0.182 CC(=O)CCCOC(C)CCC(C)C 34a_100011215350_100000685027 [1,0,0,0,1,0|2,0,0]=4 1028 B13R0.182 CC(=O)CCCOC(C)CCC(C)C 7a_100011215350_100011215641 [1,0,0,0,1,0|2,0,0]=4 1029 B13R0.182 CC(=O)CCCSC(C)CCC(C)C 62a_100011215641_100011261404 [1,0,0,0,1,0|2,0,0]=4 1030 B13R0.182 CC(=O)CCCSC(C)CCC(C)C 62a_100011261404_100011215641 [1,0,0,0,1,0|2,0,0]=4 1031 B13R0.182 CC(C)CCC(C)NCCCC(=O)N 34a_100000739312_100011261404 [1,0,0,0,1,0|2,0,0]=4 1032 B13R0.182 CC(C)CCC(C)OCCCC(=O)N 34a_100011215350_100102525003 [1,0,0,0,1,0|2,0,0]=4 1033 B13R0.182 CC(C)CCC(C)OCCCC(=O)N 7a_100011215350_100102525003 [1,0,0,0,1,0|2,0,0]=4 1034 B13R0.182 CC(C)CCC(C)SCCCC(=O)N 62a_100011261404_100102525003 [1,0,0,0,1,0|2,0,0]=4 1035 B13R0.182 CC(C)CCC(C)SCCCC(=O)N 62a_100102525003_100011261404 [1,0,0,0,1,0|2,0,0]=4 1036 B13R0.339 CCCCCC(C)NCC(C)C(=O)O 269956a_100000749485_200011218191 [1,0,0,0,1,0|1,0,0]=3 1037 B13R0.339 CCCCCC(C)NCC(F)C(=O)O 269956a_100000084737_200011218191 [1,0,0,0,1,0|2,0,0]=4 1038 B13R0.339 CCCCCC(C)OCC(C)C(=O)C 34a_100000032740_200011218191 [1,0,0,0,1,0|2,0,0]=4 1039 B13R0.339 CCCCCC(C)OCC(C)C(=O)C 7a_100000032740_200011218191 [1,0,0,0,1,0|2,0,0]=4 1040 B13R0.208 CC(C)CCC(C)NCCC(C)CO 2230a_106354213184_100011261404 [1,0,0,0,1,0|1,0,1]=4 1041 B13R0.208 CC(C)CCC(C)NCCC(C)CO 270004a_106354213184_100000210476 [1,0,0,0,1,0|1,0,1]=4 1042 B13R0.208 CC(C)CCC(C)NCCC(C)CO 34a_106354213184_100011261404 [1,0,0,0,1,0|1,0,1]=4 1043 B13R0.493 CC(C)CCCC(C)NC[C@@H](C)CO 2230a_100000210607_100000059175 [1,0,0,0,1,0|1,0,1]=4 1044 B13R0.493 CC(C)CCCC(C)OC[C@@H](C)CO 34a_200011218570_100000059175 [1,0,0,0,1,0|1,0,1]=4 1045 B13R0.493 CC(C)CCCC(C)OC[C@@H](C)CO 7a_200011218570_100000059175 [1,0,0,0,1,0|1,0,1]=4 1046 B13R0.180 CC(=O)C(C)COCCCCC(C)C 34a_100000032740_100011216152 [1,0,0,0,1,0|2,0,0]=4 1047 B13R0.180 CC(=O)C(C)COCCCCC(C)C 7a_100000032740_100011216152 [1,0,0,0,1,0|2,0,0]=4 1048 B13R0.180 CC(=O)C(C)NCCCCCC(C)C 2230a_100011290863_100009814033 [1,0,0,0,1,0|2,0,0]=4 1049 B13R0.180 CC(=O)C(C)OCCCCCC(C)C 34a_100000212229_100000210682 [1,0,0,0,1,0|2,0,0]=4 1050 B13R0.180 CC(=O)C(C)OCCCCCC(C)C 7a_100011995859_100000179758 [1,0,0,0,1,0|2,0,0]=4 1051 B13R0.180 CC(=O)C(C)SCCCCCC(C)C 62a_100000210682_100009814033 [1,0,0,0,1,0|2,0,0]=4 1052 B13R0.180 CC(=O)C(C)SCCCCCC(C)C 62a_100009814033_100000210682 [1,0,0,0,1,0|2,0,0]=4 1053 B13R0.180 CC(C)CCCCCNC(C)C(=O)N 2230a_100011290863_100000702099 [1,0,0,0,1,0|2,0,0]=4 1054 B13R0.180 CC(C)CCCCCNC(C)C(=O)N 34a_100011290863_100000702099 [1,0,0,0,1,0|2,0,0]=4 1055 B13R0.180 CC(C)CCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210682 [1,0,0,0,1,0|1,0,0]=3 1056 B13R0.180 CC(C)CCCCCN[C@H](C)C(=O)N 2230a_100000119354_100000210682 [1,0,0,0,1,0|2,0,0]=4 1057 B13R0.180 CC(C)CCCCCN[C@H](C)C(=O)N 34a_100000119354_100000210682 [1,0,0,0,1,0|2,0,0]=4 1058 B13R0.180 CC(C)CCCCCOC(C)C(=O)N 34a_100011995859_100000702099 [1,0,0,0,1,0|2,0,0]=4 1059 B13R0.180 CC(C)CCCCCOC(C)C(=O)N 7a_100011995859_100000702099 [1,0,0,0,1,0|2,0,0]=4 1060 B13R0.180 CC(C)CCCCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210682 [1,0,0,0,1,0|1,0,1]=4 1061 B13R0.180 CC(C)CCCCCO[C@H](C)C(=O)N 34a_100000731257_100000210682 [1,0,0,0,1,0|2,0,0]=4 1062 B13R0.180 CC(C)CCCCCO[C@H](C)C(=O)N 7a_100000731257_100000210682 [1,0,0,0,1,0|2,0,0]=4 1063 B13R0.180 CC(C)CCCCCSC(C)C(=O)N 62a_100000210682_100000702099 [1,0,0,0,1,0|2,0,0]=4 1064 B13R0.180 CC(C)CCCCCSC(C)C(=O)N 62a_100000702099_100000210682 [1,0,0,0,1,0|2,0,0]=4 1065 B13R0.180 CC(C)CCCCNCC(C)C(=O)O 269956a_100000749485_100011216152 [1,0,0,0,1,0|1,0,0]=3 1066 B13R0.180 CC(C)CCCCNCC(F)C(=O)O 269956a_100000084737_100011216152 [1,0,0,0,1,0|2,0,0]=4 1067 B13R0.180 CC(CNCCCCN(C)C)C(=O)O 269956a_100000749485_100000690147 [1,0,0,0,1,0|2,0,0]=4 1068 B13R0.51 CC(=O)C(C)COC(C)CCC(C)C 34a_100000032740_100011261404 [0,0,0,0,2,0|2,0,0]=4 1069 B13R0.51 CC(C)CCC(C)NCC(C)C(=O)O 269956a_100000749485_100011261404 [0,0,0,0,2,0|1,0,0]=3 1070 B13R0.51 CC(C)CCC(C)NCC(F)C(=O)O 269956a_100000084737_100011261404 [0,0,0,0,2,0|2,0,0]=4 1071 B13R0.444 CC(=O)C(C)NC(C)CCCC(C)C 2230a_100000210607_100009814033 [0,0,0,0,2,0|2,0,0]=4 1072 B13R0.444 CC(=O)C(C)OC(C)CCCC(C)C 7a_200011218570_100000179758 [0,0,0,0,2,0|2,0,0]=4 1073 B13R0.444 CC(C)CCCC(C)NC(C)C(=O)N 2230a_100000210607_100000702099 [0,0,0,0,2,0|2,0,0]=4 1074 B13R0.444 CC(C)CCCC(C)N[C@H](C)C(=O)N 270004a_100000119354_100000753411 [0,0,0,0,2,0|2,0,0]=4 1075 B13R0.444 CC(C)CCCC(C)OC(C)C(=O)N 34a_200011218570_100000702099 [0,0,0,0,2,0|2,0,0]=4 1076 B13R0.444 CC(C)CCCC(C)OC(C)C(=O)N 7a_200011218570_100000702099 [0,0,0,0,2,0|2,0,0]=4 1077 B13R0.78 CC(CNCC(C)C(=O)O)CN(C)C 269956a_100000749485_100015348159 [0,0,0,0,2,0|2,0,0]=4 1078 B15R0.221 C=C(C)CCNCCC(C)CCCC(C)C 2230a_102516457229_100000730704 [1,0,0,0,0,1|2,0,0]=4 1079 B15R0.221 C=C(C)CCOCCC(C)CCCC(C)C 34a_100000015991_100000730704 [1,0,0,0,0,1|2,0,0]=4 1080 B15R0.221 C=C(C)CCOCCC(C)CCCC(C)C 34a_100000764851_100009816328 [1,0,0,0,0,1|2,0,0]=4 1081 B15R0.221 C=C(C)CCOCCC(C)CCCC(C)C 7a_100000015991_100000730704 [1,0,0,0,0,1|2,0,0]=4 1082 B15R0.221 CC(=O)CCCCOC(C)CCCC(C)C 34a_200011218570_100009817362 [1,0,0,0,0,1|1,0,0]=3 1083 B15R0.221 CC(=O)CCCCOC(C)CCCC(C)C 7a_200011218570_100000735457 [1,0,0,0,0,1|1,0,0]=3 1084 B15R0.221 CC(=O)CCOCCC(C)CCCC(C)C 34a_100000759926_100009816328 [1,0,0,0,0,1|1,0,0]=3 1085 B15R0.221 CC(=O)CCOCCC(C)CCCC(C)C 7a_100000015991_100000053229 [1,0,0,0,0,1|1,0,0]=3 1086 B15R0.221 CC(=O)CCOCCC(C)CCCC(C)C 7a_100000759926_100009816328 [1,0,0,0,0,1|1,0,0]=3 1087 B15R0.221 CC(=O)CCSCCC(C)CCCC(C)C 62a_100000053229_100009816328 [1,0,0,0,0,1|1,0,0]=3 1088 B15R0.221 CC(=O)CCSCCC(C)CCCC(C)C 62a_100009816328_100000053229 [1,0,0,0,0,1|1,0,0]=3 1089 B15R0.221 CC(=O)NCCCNC(C)CCCC(C)C 270004a_100000736810_100000753411 [1,0,0,0,0,1|2,0,0]=4 1090 B15R0.221 CC(=O)OCCCOC(C)CCCC(C)C 34a_200011218570_100000042594 [1,0,0,0,0,1|2,0,0]=4 1091 B15R0.221 CC(=O)OCCCOC(C)CCCC(C)C 7a_200011218570_100000042594 [1,0,0,0,0,1|2,0,0]=4 1092 B15R0.221 CC(=O)OCOCCC(C)CCCC(C)C 34a_100000015991_100009813279 [1,0,0,0,0,1|2,0,0]=4 1093 B15R0.221 CC(=O)OCSCCC(C)CCCC(C)C 62a_100000076356_100009816328 [1,0,0,0,0,1|2,0,0]=4 1094 B15R0.221 CC(=O)OCSCCC(C)CCCC(C)C 62a_100009816328_100000076356 [1,0,0,0,0,1|2,0,0]=4 1095 B15R0.221 CC(=O)SCCCNC(C)CCCC(C)C 2230a_100000210607_100000038929 [1,0,0,0,0,1|2,0,0]=4 1096 B15R0.221 CC(=O)SCCCOC(C)CCCC(C)C 34a_200011218570_100000038929 [1,0,0,0,0,1|2,0,0]=4 1097 B15R0.221 CC(=O)SCCCOC(C)CCCC(C)C 7a_200011218570_100000038929 [1,0,0,0,0,1|2,0,0]=4 1098 B15R0.221 CC(C)CCCC(C)CCNCCC(=O)N 2230a_102516457229_100000744528 [1,0,0,0,0,1|1,0,0]=3 1099 B15R0.221 CC(C)CCCC(C)CCNCCC(C)O 2230a_102516457229_100012276601 [1,0,0,0,0,1|1,0,1]=4 1100 B15R0.221 CC(C)CCCC(C)CCNCCC(C)O 2230a_200000755665_100009816328 [1,0,0,0,0,1|1,0,1]=4 1101 B15R0.221 CC(C)CCCC(C)CCNOCC(=O)O 269956a_100000106656_100009816328 [1,0,0,0,0,1|1,0,0]=3 1102 B15R0.221 CC(C)CCCC(C)CCOCCC(=O)N 34a_100000015991_100000731001 [1,0,0,0,0,1|1,0,0]=3 1103 B15R0.221 CC(C)CCCC(C)CCOCCC(=O)N 34a_100000757172_100009816328 [1,0,0,0,0,1|1,0,0]=3 1104 B15R0.221 CC(C)CCCC(C)CCOCCC(=O)N 7a_100000015991_100000744528 [1,0,0,0,0,1|1,0,0]=3 1105 B15R0.221 CC(C)CCCC(C)CCOCCC(=O)N 7a_100000757172_100009816328 [1,0,0,0,0,1|1,0,0]=3 1106 B15R0.221 CC(C)CCCC(C)CCOCCC(C)O 34a_100000015991_100012276601 [1,0,0,0,0,1|1,0,1]=4 1107 B15R0.221 CC(C)CCCC(C)CCOCCC(C)O 7a_100000015991_100012276601 [1,0,0,0,0,1|1,0,1]=4 1108 B15R0.221 CC(C)CCCC(C)CCSCCC(=O)N 62a_100000744528_100009816328 [1,0,0,0,0,1|1,0,0]=3 1109 B15R0.221 CC(C)CCCC(C)CCSCCC(=O)N 62a_100009816328_100000744528 [1,0,0,0,0,1|1,0,0]=3 1110 B15R0.221 CC(C)CCCC(C)CCSCCC(C)O 62a_100009816328_100012276601 [1,0,0,0,0,1|1,0,1]=4 1111 B15R0.221 CC(C)CCCC(C)CCSCCC(C)O 62a_100012276601_100009816328 [1,0,0,0,0,1|1,0,1]=4 1112 B15R0.221 CC(C)CCCC(C)NCCCCB(O)O 2230a_100000210607_200009817182 [1,0,0,0,0,1|1,0,1]=4 1113 B15R0.221 CC(C)CCCC(C)NCCCCC(=O)N 270004a_100000696515_100000753411 [1,0,0,0,0,1|1,0,0]=3 1114 B15R0.221 CC(C)CCCC(C)NCCOCC(=O)N 2230a_100000210607_100000076697 [1,0,0,0,0,1|2,0,0]=4 1115 B15R0.221 CC(C)CCCC(C)OCCCCB(O)O 34a_200011218570_200009817182 [1,0,0,0,0,1|1,0,1]=4 1116 B15R0.221 CC(C)CCCC(C)OCCCCB(O)O 7a_200011218570_200009817182 [1,0,0,0,0,1|1,0,1]=4 1117 B15R0.221 CC(C)CCCC(C)OCCOCC(=O)N 34a_200011218570_100000076697 [1,0,0,0,0,1|2,0,0]=4 1118 B15R0.221 CC(C)CCCC(C)OCCOCC(=O)N 7a_200011218570_100000076697 [1,0,0,0,0,1|2,0,0]=4 1119 B15R0.221 CC(CCOC(C)C)NCCCCC(=O)N 270004a_100000696515_200011219172 [1,0,0,0,0,1|2,0,0]=4 1120 B15R0.226 CC(C)CCCCCNCC(O)CC(=O)O 269956a_100011218706_100000210682 [1,0,0,0,0,1|2,0,0]=4 1121 B15R0.2702 CC(=O)C(C)OCCCCCCCC(C)C 7a_200000210741_100000179758 [1,0,0,0,0,1|1,0,0]=3 1122 B15R0.2702 CC(C)CCCCCCCOC(C)C(=O)N 34a_200000210741_100000702099 [1,0,0,0,0,1|1,0,0]=3 1123 B15R0.2702 CC(C)CCCCCCCOC(C)C(=O)N 7a_200000210741_100000702099 [1,0,0,0,0,1|1,0,0]=3 1124 B15R0.2702 CC(C)CCCCCCCOC(F)C(=O)N 34a_200000210741_100009813875 [1,0,0,0,0,1|2,0,0]=4 1125 B15R0.2702 CC(C)CCCCCCCOC(F)C(=O)N 7a_200000210741_100009813875 [1,0,0,0,0,1|2,0,0]=4 1126 B15R0.2702 CC(C)CCCCCCCOC(F)C(=O)[O-] 34a_200000210741_100020610796 [1,0,0,0,0,1|1,0,1]=4 1127 B17R0.1608 CC(=O)OCC(C)NCCC(C)CCCC(C)C 270004a_102516457229_100000000629 [0,0,0,0,0,2|2,0,0]=4 1128 B17R0.1739 CC(C)CCCC(C)CCNCC(O)CC(=O)O 269956a_100011218706_100009816328 [0,0,0,0,0,2|1,0,0]=3