0 B18R0.233 C=C(C)CNNC(=O)CCCCCCCCCCC 22a_100000729518_100000210736 [0,0,0,0,0,0|4,0,0]=4 1 B18R0.233 C=C(C)COCC(=O)OCCCCCCCCCC 34a_100000210245_100000210668 [0,0,0,0,0,0|4,0,0]=4 2 B18R0.233 C=C(C)CSCC(=O)OCCCCCCCCCC 62a_100000680656_100000211660 [0,0,0,0,0,0|4,0,0]=4 3 B18R0.233 C=C(C)CSCC(=O)OCCCCCCCCCC 62a_100000748629_100000680656 [0,0,0,0,0,0|4,0,0]=4 4 B18R0.233 C=C(F)COCC(=O)OCCCCCCCCCC 34a_200010262243_100000210668 [0,0,0,0,0,0|4,0,0]=4 5 B18R0.233 C=C(F)CSCC(=O)OCCCCCCCCCC 62a_100000042424_100000680656 [0,0,0,0,0,0|4,0,0]=4 6 B18R0.233 C=C(F)CSCC(=O)OCCCCCCCCCC 62a_100000680656_100000042424 [0,0,0,0,0,0|4,0,0]=4 7 B18R0.233 C=CCCCCCCCCCC(=O)CCC[N+](=O)[O-] 1458a_100016109205_100009814027 [0,0,0,0,0,0|1,0,3]=4 8 B18R0.233 C=CCCCCCCCCCC(=O)CCNC(=O)C 1458a_100000183196_100009814027 [0,0,0,0,0,0|2,0,2]=4 9 B18R0.233 C=CCCCCCCCCCC(=O)CCNC(=O)N 1458a_100000181464_100009814027 [0,0,0,0,0,0|2,0,2]=4 10 B18R0.233 C=CCCCCCCCCCC(=O)CCSC(=O)C 1458a_100000048949_100009814027 [0,0,0,0,0,0|2,0,2]=4 11 B18R0.233 C=CCCCCCCCCCC(=O)COCC(=O)N 1458a_100011219004_100009814027 [0,0,0,0,0,0|2,0,2]=4 12 B18R0.233 C=CCCCCCCCCCN(C)CCCC(=O)O 269956a_100000719178_100009814027 [0,0,0,0,0,0|2,0,2]=4 13 B18R0.233 CC(=O)NCCC(=O)CCCCCCCCCCO 1458a_100000183196_100009813290 [0,0,0,0,0,0|3,0,0]=3 14 B18R0.233 CC(=O)NCCC(=O)NCCCCCCCCCO 240690a_100000078944_100000183196 [0,0,0,0,0,0|4,0,0]=4 15 B18R0.233 CC(=O)SCCC(=O)CCCCCCCCCCO 1458a_100000048949_100009813290 [0,0,0,0,0,0|3,0,0]=3 16 B18R0.233 CC(=O)SCCC(=O)NCCCCCCCCCO 240690a_100000078944_100000048949 [0,0,0,0,0,0|4,0,0]=4 17 B18R0.233 CC(C)CCCC(=O)CCCCCCCCCCO 1458a_100011216857_100009813290 [0,0,0,0,0,0|3,0,1]=4 18 B18R0.233 CC(O)CCNC(=O)CCCCCCCCCCO 240690a_200000755665_200000016029 [0,0,0,0,0,0|3,0,1]=4 19 B18R0.233 CCCCCCCCCC=CC(=O)CCCC(=O)C 1458a_200015352897_100011215641 [0,0,0,0,0,0|1,0,2]=3 20 B18R0.233 CCCCCCCCCC=CC(=O)CCCC(=O)N 1458a_200015352897_100102525003 [0,0,0,0,0,0|1,0,2]=3 21 B18R0.233 CCCCCCCCCC=CC(=O)CCCC(C)O 1458a_200015352897_200000718107 [0,0,0,0,0,0|1,0,3]=4 22 B18R0.233 CCCCCCCCCC=CC(=O)CCNC(=O)C 1458a_200015352897_100000189650 [0,0,0,0,0,0|2,0,2]=4 23 B18R0.233 CCCCCCCCCC=CC(=O)CCNC(=O)N 1458a_200015352897_200000034859 [0,0,0,0,0,0|2,0,2]=4 24 B18R0.233 CCCCCCCCCC=CC(=O)CCOC(=O)C 1458a_200015352897_100009814007 [0,0,0,0,0,0|2,0,2]=4 25 B18R0.233 CCCCCCCCCC=CC(=O)CCOC(=O)N 1458a_200015352897_200011214921 [0,0,0,0,0,0|2,0,2]=4 26 B18R0.233 CCCCCCCCCC=CC(=O)NCCC(=O)N 11a_100000740010_200015352897 [0,0,0,0,0,0|2,0,2]=4 27 B18R0.233 CCCCCCCCCC=CC(=O)NCCC(=O)N 240690a_100000740010_200015352897 [0,0,0,0,0,0|2,0,2]=4 28 B18R0.233 CCCCCCCCCCCC(=O)C/C=C/B(O)O 1458a_100000210736_100016262062 [0,0,0,0,0,0|1,0,3]=4 29 B18R0.233 CCCCCCCCCCCC(=O)CCCC(=O)C 1458a_100000210736_100011215641 [0,0,0,0,0,0|1,0,0]=1 30 B18R0.233 CCCCCCCCCCCC(=O)CCCC(=O)N 1458a_100000210736_100102525003 [0,0,0,0,0,0|1,0,0]=1 31 B18R0.233 CCCCCCCCCCCC(=O)CCCC(C)O 1458a_100000210736_200000718107 [0,0,0,0,0,0|1,0,1]=2 32 B18R0.233 CCCCCCCCCCCC(=O)CCCN(C)C 1458a_100000210736_100000695564 [0,0,0,0,0,0|3,0,0]=3 33 B18R0.233 CCCCCCCCCCCC(=O)CCC[N+](=O)[O-] 1458a_100016109205_100011215454 [0,0,0,0,0,0|1,0,1]=2 34 B18R0.233 CCCCCCCCCCCC(=O)CCN=C(N)N 1458a_100000033030_100011215454 [0,0,0,0,0,0|3,0,0]=3 35 B18R0.233 CCCCCCCCCCCC(=O)CCNC(=O)C 1458a_100000183196_100011215454 [0,0,0,0,0,0|2,0,0]=2 36 B18R0.233 CCCCCCCCCCCC(=O)CCNC(=O)C 1458a_100000210736_100000189650 [0,0,0,0,0,0|2,0,0]=2 37 B18R0.233 CCCCCCCCCCCC(=O)CCNC(=O)N 1458a_100000181464_100011215454 [0,0,0,0,0,0|2,0,0]=2 38 B18R0.233 CCCCCCCCCCCC(=O)CCNC(=O)N 1458a_100000210736_200000034859 [0,0,0,0,0,0|2,0,0]=2 39 B18R0.233 CCCCCCCCCCCC(=O)CCOC(=O)C 1458a_100000210736_100009814007 [0,0,0,0,0,0|2,0,0]=2 40 B18R0.233 CCCCCCCCCCCC(=O)CCOC(=O)N 1458a_100000210736_200011214921 [0,0,0,0,0,0|2,0,0]=2 41 B18R0.233 CCCCCCCCCCCC(=O)CCOC(C)C 1458a_100000210736_100000211751 [0,0,0,0,0,0|3,0,1]=4 42 B18R0.233 CCCCCCCCCCCC(=O)CCSC(=O)C 1458a_100000048949_100011215454 [0,0,0,0,0,0|2,0,0]=2 43 B18R0.233 CCCCCCCCCCCC(=O)COCC(=O)N 1458a_100011219004_100011215454 [0,0,0,0,0,0|2,0,0]=2 44 B18R0.233 CCCCCCCCCCCC(=O)COCC(C)C 1458a_100011223364_100011215454 [0,0,0,0,0,0|3,0,1]=4 45 B18R0.233 CCCCCCCCCCCC(=O)NCC=C(C)C 11a_100000718196_100000210736 [0,0,0,0,0,0|3,0,1]=4 46 B18R0.233 CCCCCCCCCCCC(=O)NCC=C(C)C 1626a_100000718196_100000210736 [0,0,0,0,0,0|3,0,1]=4 47 B18R0.233 CCCCCCCCCCCC(=O)NCCC(=O)N 11a_100000740010_100000210736 [0,0,0,0,0,0|2,0,0]=2 48 B18R0.233 CCCCCCCCCCCC(=O)NCCC(=O)N 240690a_100000740010_100000210736 [0,0,0,0,0,0|2,0,0]=2 49 B18R0.233 CCCCCCCCCCCC(=O)NCCC(C)C 11a_100000210545_100000210736 [0,0,0,0,0,0|3,0,1]=4 50 B18R0.233 CCCCCCCCCCCC(=O)NCCC(C)C 1626a_100000210545_100000210736 [0,0,0,0,0,0|3,0,1]=4 51 B18R0.233 CCCCCCCCCCCC(=O)NCCC(C)C 240690a_100000210545_100000210736 [0,0,0,0,0,0|3,0,1]=4 52 B18R0.233 CCCCCCCCCCCC(=O)NCCC(C)O 240690a_200000755665_100000210736 [0,0,0,0,0,0|2,0,1]=3 53 B18R0.233 CCCCCCCCCCCC(=O)NCCN(C)C 240690a_100000210585_100000210736 [0,0,0,0,0,0|4,0,0]=4 54 B18R0.233 CCCCCCCCCCCC(=O)NNCC(C)O 22a_200000730056_100000210736 [0,0,0,0,0,0|3,0,1]=4 55 B18R0.233 CCCCCCCCCCCC(=O)OCCC(=O)C 1458a_100000070787_100000091854 [0,0,0,0,0,0|2,0,0]=2 56 B18R0.233 CCCCCCCCCCCC(=O)OCCN(C)C 2230a_100102631434_100000091854 [0,0,0,0,0,0|4,0,0]=4 57 B18R0.233 CCCCCCCCCCCC(=O)OCCN(C)C 269982a_100102631434_100000091854 [0,0,0,0,0,0|4,0,0]=4 58 B18R0.233 CCCCCCCCCCCC(C)OCCC(=O)C 7a_100011217895_100000053229 [0,0,0,0,0,0|3,0,1]=4 59 B18R0.233 CCCCCCCCCCCC(C)OCCC(=O)N 34a_100011217895_100000731001 [0,0,0,0,0,0|3,0,1]=4 60 B18R0.233 CCCCCCCCCCCC(C)OCCC(=O)N 7a_100011217895_100000744528 [0,0,0,0,0,0|3,0,1]=4 61 B18R0.233 CCCCCCCCCCCN(C)CCCC(=O)O 269956a_100000719178_100011215454 [0,0,0,0,0,0|2,0,0]=2 62 B18R0.233 CCCCCCCCCCNC(=O)CCCC(C)C 11a_100000684558_100011216857 [0,0,0,0,0,0|3,0,1]=4 63 B18R0.233 CCCCCCCCCCNC(=O)CCCC(C)C 1626a_100000684558_100011216857 [0,0,0,0,0,0|3,0,1]=4 64 B18R0.233 CCCCCCCCCCNC(=O)CCCC(C)C 240690a_100000684558_100011216857 [0,0,0,0,0,0|3,0,1]=4 65 B18R0.233 CCCCCCCCCCNC(=O)CCCC(C)C 527a_100000684558_100011216857 [0,0,0,0,0,0|3,0,1]=4 66 B18R0.233 CCCCCCCCCCNC(=O)CCCC(C)O 1626a_100000684558_100000761597 [0,0,0,0,0,0|2,0,1]=3 67 B18R0.233 CCCCCCCCCCNC(=O)CCCC(C)O 527a_100000684558_100000761597 [0,0,0,0,0,0|2,0,1]=3 68 B18R0.233 CCCCCCCCCCNC(=O)CCCN(C)C 11a_100000684558_100000740757 [0,0,0,0,0,0|4,0,0]=4 69 B18R0.233 CCCCCCCCCCNC(=O)CCCN(C)C 240690a_100000684558_100000740757 [0,0,0,0,0,0|4,0,0]=4 70 B18R0.233 CCCCCCCCCCNC(=O)CCC[N+](=O)[O-] 11a_100000684558_100016109205 [0,0,0,0,0,0|2,0,1]=3 71 B18R0.233 CCCCCCCCCCNC(=O)CCC[N+](=O)[O-] 1626a_100000684558_100016109205 [0,0,0,0,0,0|2,0,1]=3 72 B18R0.233 CCCCCCCCCCNC(=O)CCC[N+](=O)[O-] 240690a_100000684558_100016109205 [0,0,0,0,0,0|2,0,1]=3 73 B18R0.233 CCCCCCCCCCNC(=O)CCC[N+](=O)[O-] 527a_100000684558_100016109205 [0,0,0,0,0,0|2,0,1]=3 74 B18R0.233 CCCCCCCCCCNC(=O)CCN=C(N)N 240690a_100000684558_100000033030 [0,0,0,0,0,0|4,0,0]=4 75 B18R0.233 CCCCCCCCCCNC(=O)CCNC(=O)C 11a_100000684558_100000183196 [0,0,0,0,0,0|3,0,0]=3 76 B18R0.233 CCCCCCCCCCNC(=O)CCNC(=O)C 1626a_100000684558_100000183196 [0,0,0,0,0,0|3,0,0]=3 77 B18R0.233 CCCCCCCCCCNC(=O)CCNC(=O)C 240690a_100000684558_100000183196 [0,0,0,0,0,0|3,0,0]=3 78 B18R0.233 CCCCCCCCCCNC(=O)CCNC(=O)C 527a_100000684558_100000183196 [0,0,0,0,0,0|3,0,0]=3 79 B18R0.233 CCCCCCCCCCNC(=O)CCNC(=O)N 240690a_100000684558_100000181464 [0,0,0,0,0,0|3,0,0]=3 80 B18R0.233 CCCCCCCCCCNC(=O)CCNC(=O)N 527a_100000684558_100000181464 [0,0,0,0,0,0|3,0,0]=3 81 B18R0.233 CCCCCCCCCCNC(=O)CCSC(=O)C 1626a_100000684558_100000048949 [0,0,0,0,0,0|3,0,0]=3 82 B18R0.233 CCCCCCCCCCNC(=O)CCSC(=O)C 240690a_100000684558_100000048949 [0,0,0,0,0,0|3,0,0]=3 83 B18R0.233 CCCCCCCCCCNC(=O)COCC(=O)N 1626a_100000684558_100011219004 [0,0,0,0,0,0|3,0,0]=3 84 B18R0.233 CCCCCCCCCCNC(=O)COCC(=O)N 240690a_100000684558_100011219004 [0,0,0,0,0,0|3,0,0]=3 85 B18R0.233 CCCCCCCCCCNC(=O)COCC(=O)N 527a_100000684558_100011219004 [0,0,0,0,0,0|3,0,0]=3 86 B18R0.233 CCCCCCCCCCNC(=O)CSCC(=O)N 11a_100000684558_100000150265 [0,0,0,0,0,0|3,0,0]=3 87 B18R0.233 CCCCCCCCCCNC(=O)CSCC(=O)N 240690a_100000684558_100000150265 [0,0,0,0,0,0|3,0,0]=3 88 B18R0.233 CCCCCCCCCCNC(=O)CSCC(=O)N 527a_100000684558_100000150265 [0,0,0,0,0,0|3,0,0]=3 89 B18R0.233 CCCCCCCCCCNC(=O)NCCC(=O)N 2708a_100000684558_100000740010 [0,0,0,0,0,0|3,0,0]=3 90 B18R0.233 CCCCCCCCCCNC(=O)NCCC(=O)N 273464a_100000684558_100000740010 [0,0,0,0,0,0|3,0,0]=3 91 B18R0.233 CCCCCCCCCCNC(=O)NCCC(=O)N 273464a_100000740010_100000684558 [0,0,0,0,0,0|3,0,0]=3 92 B18R0.233 CCCCCCCCCCNC(=O)NCCC(=O)N 512a_100000684558_100000740010 [0,0,0,0,0,0|3,0,0]=3 93 B18R0.233 CCCCCCCCCCNC(=O)NCCC(C)O 2708a_100000684558_200000755665 [0,0,0,0,0,0|3,0,1]=4 94 B18R0.233 CCCCCCCCCCNC(=O)NCCC(C)O 273464a_200000755665_100000684558 [0,0,0,0,0,0|3,0,1]=4 95 B18R0.233 CCCCCCCCCCNC(=O)NCCC(C)O 512a_100000684558_200000755665 [0,0,0,0,0,0|3,0,1]=4 96 B18R0.233 CCCCCCCCCCNC(=O)NCCC(C)O 512a_200000755665_100000684558 [0,0,0,0,0,0|3,0,1]=4 97 B18R0.233 CCCCCCCCCCOC(=O)CNCC(=O)N 2230a_100000711301_100000210668 [0,0,0,0,0,0|3,0,0]=3 98 B18R0.233 CCCCCCCCCCOC(=O)CNCC(=O)O 269956a_100016091260_100000210668 [0,0,0,0,0,0|2,0,0]=2 99 B18R0.233 CCCCCCCCCCOC(=O)CNCC(C)O 2230a_100000210904_100000210668 [0,0,0,0,0,0|3,0,1]=4 100 B18R0.233 CCCCCCCCCCOC(=O)CNCC(C)O 34a_100000210904_100000210668 [0,0,0,0,0,0|3,0,1]=4 101 B18R0.233 CCCCCCCCCCOC(=O)COCC(=O)C 34a_100000211253_100000210668 [0,0,0,0,0,0|3,0,0]=3 102 B18R0.233 CCCCCCCCCCOC(=O)CSCC(=O)N 62a_100000680656_100000747473 [0,0,0,0,0,0|3,0,0]=3 103 B18R0.233 CCCCCCCCCCOC(=O)CSCC(=O)N 62a_100000747473_100000680656 [0,0,0,0,0,0|3,0,0]=3 104 B18R0.233 CCCCCCCCCCOC(=O)CSCC(=O)[O-] 62a_100000680656_100020667443 [0,0,0,0,0,0|2,0,1]=3 105 B18R0.233 CCCCCCCCCCOC(=O)CSCC(=O)[O-] 62a_100020667443_100000680656 [0,0,0,0,0,0|2,0,1]=3 106 B18R0.233 CCCCCCCCCCOC(=O)CSCC(C)O 62a_100000680656_100011218427 [0,0,0,0,0,0|3,0,1]=4 107 B18R0.233 CCCCCCCCCCOC(=O)CSCC(C)O 62a_100011218427_100000680656 [0,0,0,0,0,0|3,0,1]=4 108 B18R0.233 CCCCCCCCCCOC(=O)CSC[C@@H](C)O 62a_100000680656_100009817552 [0,0,0,0,0,0|3,0,1]=4 109 B18R0.233 CCCCCCCCCCOC(=O)CSC[C@@H](C)O 62a_100009817552_100000680656 [0,0,0,0,0,0|3,0,1]=4 110 B18R0.233 CCCCCCCCCCOC(=O)CSC[N+](=O)[O-] 62a_100000680656_100000761209 [0,0,0,0,0,0|3,0,1]=4 111 B18R0.233 CCCCCCCCCCOC(C)CCCC(=O)[O-] 7a_100000761597_100000210320 [0,0,0,0,0,0|2,0,2]=4 112 B18R0.233 CCCCCCCCCNCC(=O)NCCC(=O)N 2230a_200138414118_100011214924 [0,0,0,0,0,0|3,0,0]=3 113 B18R0.233 CN(CCCCCCCCCCO)CCCC(=O)O 269956a_100000719178_100009813290 [0,0,0,0,0,0|3,0,0]=3 114 B18R0.233 NC(=NCCC(=O)CCCCCCCCCCO)N 1458a_100000033030_100009813290 [0,0,0,0,0,0|4,0,0]=4 115 B18R0.233 NC(=O)CCNC(=O)CCCCCCCCCCO 240690a_100000740010_200000016029 [0,0,0,0,0,0|3,0,0]=3 116 B18R0.233 NC(=O)CCNC(=O)CNCCCCCCCCO 2230a_200138414118_100000033203 [0,0,0,0,0,0|4,0,0]=4 117 B18R0.233 NC(=O)CCNC(=O)NCCCCCCCCCO 2708a_100000078944_100000740010 [0,0,0,0,0,0|4,0,0]=4 118 B18R0.233 NC(=O)CCNC(=O)NCCCCCCCCCO 273464a_100000078944_100000740010 [0,0,0,0,0,0|4,0,0]=4 119 B18R0.233 NC(=O)CCNC(=O)NCCCCCCCCCO 273464a_100000740010_100000078944 [0,0,0,0,0,0|4,0,0]=4 120 B18R0.233 NC(=O)CCNC(=O)NCCCCCCCCCO 512a_100000078944_100000740010 [0,0,0,0,0,0|4,0,0]=4 121 B18R0.233 NC(=O)COCC(=O)CCCCCCCCCCO 1458a_100011219004_100009813290 [0,0,0,0,0,0|3,0,0]=3 122 B18R0.233 NC(=O)COCC(=O)NCCCCCCCCCO 240690a_100000078944_100011219004 [0,0,0,0,0,0|4,0,0]=4 123 B18R0.233 NC(=O)CSCC(=O)NCCCCCCCCCO 240690a_100000078944_100000150265 [0,0,0,0,0,0|4,0,0]=4 124 B18R0.233 NC(=O)NCCC(=O)CCCCCCCCCCO 1458a_100000181464_100009813290 [0,0,0,0,0,0|3,0,0]=3 125 B18R0.233 NC(=O)NCCC(=O)NCCCCCCCCCO 240690a_100000078944_100000181464 [0,0,0,0,0,0|4,0,0]=4 126 B18R0.233 O=C(CCCCCCCCCCO)CCC[N+](=O)[O-] 1458a_100016109205_100009813290 [0,0,0,0,0,0|2,0,1]=3 127 B18R0.233 O=C(CCC[N+](=O)[O-])NCCCCCCCCCO 240690a_100000078944_100016109205 [0,0,0,0,0,0|3,0,1]=4 128 B17R0.38 C#CCCCCCCCCC(=O)CCCC(=O)C 1458a_100000029693_100011215641 [1,0,0,0,0,0|1,0,2]=4 129 B17R0.38 C#CCCCCCCCCC(=O)CCCC(=O)N 1458a_100000029693_100102525003 [1,0,0,0,0,0|1,0,2]=4 130 B17R0.38 C=CCCCCCCCCC(=O)CCCC(=O)C 1458a_100000211349_100011215641 [1,0,0,0,0,0|1,0,2]=4 131 B17R0.38 C=CCCCCCCCCC(=O)CCCC(=O)N 1458a_100000211349_100102525003 [1,0,0,0,0,0|1,0,2]=4 132 B17R0.38 CC#CCCCCCCCC(=O)CCCC(=O)C 1458a_100000066323_100011215641 [1,0,0,0,0,0|1,0,2]=4 133 B17R0.38 CC#CCCCCCCCC(=O)CCCC(=O)N 1458a_100000066323_100102525003 [1,0,0,0,0,0|1,0,2]=4 134 B17R0.38 CC(=O)CCCC(=O)CCCCCCCCCF 1458a_200009909015_100011215641 [1,0,0,0,0,0|2,0,0]=3 135 B17R0.38 CC(=O)NCCC(=O)CCCCCCCCCF 1458a_200009909015_100000189650 [1,0,0,0,0,0|3,0,0]=4 136 B17R0.38 CC(=O)NCCC(=O)CCCCCCCCCO 1458a_100000183196_100009813782 [1,0,0,0,0,0|3,0,0]=4 137 B17R0.38 CC(=O)OCCC(=O)CCCCCCCCCF 1458a_200009909015_100009814007 [1,0,0,0,0,0|3,0,0]=4 138 B17R0.38 CC(=O)SCCC(=O)CCCCCCCCCO 1458a_100000048949_100009813782 [1,0,0,0,0,0|3,0,0]=4 139 B17R0.38 CC(O)CCCC(=O)CCCCCCCCCF 1458a_200009909015_200000718107 [1,0,0,0,0,0|2,0,1]=4 140 B17R0.38 CCCCCCCCC=CC(=O)CCCC(=O)C 1458a_100015345288_100011215641 [1,0,0,0,0,0|1,0,2]=4 141 B17R0.38 CCCCCCCCC=CC(=O)CCCC(=O)N 1458a_100015345288_100102525003 [1,0,0,0,0,0|1,0,2]=4 142 B17R0.38 CCCCCCCCCCC(=O)CCC=C(C)C 1458a_100000210375_100011217483 [1,0,0,0,0,0|2,0,1]=4 143 B17R0.38 CCCCCCCCCCC(=O)CCC=C(F)F 1458a_100000210375_200009816681 [1,0,0,0,0,0|2,0,1]=4 144 B17R0.38 CCCCCCCCCCC(=O)CCCC(=O)C 1458a_100000210375_100011215641 [1,0,0,0,0,0|1,0,0]=2 145 B17R0.38 CCCCCCCCCCC(=O)CCCC(=O)N 1458a_100000210375_100102525003 [1,0,0,0,0,0|1,0,0]=2 146 B17R0.38 CCCCCCCCCCC(=O)CCCC(C)C 1458a_100000210375_100011214892 [1,0,0,0,0,0|2,0,1]=4 147 B17R0.38 CCCCCCCCCCC(=O)CCCC(C)C 1458a_100011216857_100000210319 [1,0,0,0,0,0|2,0,1]=4 148 B17R0.38 CCCCCCCCCCC(=O)CCCC(C)O 1458a_100000210375_200000718107 [1,0,0,0,0,0|1,0,1]=3 149 B17R0.38 CCCCCCCCCCC(=O)CCCN(C)C 1458a_100000210375_100000695564 [1,0,0,0,0,0|3,0,0]=4 150 B17R0.38 CCCCCCCCCCC(=O)CCC[N+](=O)[O-] 1458a_100016109205_100000210319 [1,0,0,0,0,0|1,0,1]=3 151 B17R0.38 CCCCCCCCCCC(=O)CCN=C(N)N 1458a_100000033030_100000210319 [1,0,0,0,0,0|3,0,0]=4 152 B17R0.38 CCCCCCCCCCC(=O)CCNC(=O)C 1458a_100000183196_100000210319 [1,0,0,0,0,0|2,0,0]=3 153 B17R0.38 CCCCCCCCCCC(=O)CCNC(=O)C 1458a_100000210375_100000189650 [1,0,0,0,0,0|2,0,0]=3 154 B17R0.38 CCCCCCCCCCC(=O)CCNC(=O)N 1458a_100000181464_100000210319 [1,0,0,0,0,0|2,0,0]=3 155 B17R0.38 CCCCCCCCCCC(=O)CCNC(=O)N 1458a_100000210375_200000034859 [1,0,0,0,0,0|2,0,0]=3 156 B17R0.38 CCCCCCCCCCC(=O)CCOC(=O)C 1458a_100000210375_100009814007 [1,0,0,0,0,0|2,0,0]=3 157 B17R0.38 CCCCCCCCCCC(=O)CCOC(=O)N 1458a_100000210375_200011214921 [1,0,0,0,0,0|2,0,0]=3 158 B17R0.38 CCCCCCCCCCC(=O)CCSC(=O)C 1458a_100000048949_100000210319 [1,0,0,0,0,0|2,0,0]=3 159 B17R0.38 CCCCCCCCCCC(=O)COCC(=O)N 1458a_100011219004_100000210319 [1,0,0,0,0,0|2,0,0]=3 160 B17R0.38 CCCCCCCCCCC(=O)NCCC(=O)N 11a_100000740010_100000210375 [1,0,0,0,0,0|2,0,0]=3 161 B17R0.38 CCCCCCCCCCC(=O)NCCC(=O)N 240690a_100000740010_100000210375 [1,0,0,0,0,0|2,0,0]=3 162 B17R0.38 CCCCCCCCCCC(=O)NCCC(C)O 240690a_200000755665_100000210375 [1,0,0,0,0,0|2,0,1]=4 163 B17R0.38 CCCCCCCCCCN(C)CCCC(=O)C 269982a_100000207566_100011215641 [1,0,0,0,0,0|3,0,0]=4 164 B17R0.38 CCCCCCCCCCN(C)CCCC(=O)N 269982a_100000207566_100102525003 [1,0,0,0,0,0|3,0,0]=4 165 B17R0.38 CCCCCCCCCCN(C)CCCC(=O)O 269956a_100000719178_100000210320 [1,0,0,0,0,0|2,0,0]=3 166 B17R0.38 CCCCCCCCCNC(=O)CCCC(C)O 1626a_100000212291_100000761597 [1,0,0,0,0,0|2,0,1]=4 167 B17R0.38 CCCCCCCCCNC(=O)CCCC(C)O 527a_100000212291_100000761597 [1,0,0,0,0,0|2,0,1]=4 168 B17R0.38 CCCCCCCCCNC(=O)CCC[N+](=O)[O-] 11a_100000212291_100016109205 [1,0,0,0,0,0|2,0,1]=4 169 B17R0.38 CCCCCCCCCNC(=O)CCC[N+](=O)[O-] 1626a_100000212291_100016109205 [1,0,0,0,0,0|2,0,1]=4 170 B17R0.38 CCCCCCCCCNC(=O)CCC[N+](=O)[O-] 240690a_100000212291_100016109205 [1,0,0,0,0,0|2,0,1]=4 171 B17R0.38 CCCCCCCCCNC(=O)CCC[N+](=O)[O-] 527a_100000212291_100016109205 [1,0,0,0,0,0|2,0,1]=4 172 B17R0.38 CCCCCCCCCNC(=O)CCNC(=O)C 11a_100000212291_100000183196 [1,0,0,0,0,0|3,0,0]=4 173 B17R0.38 CCCCCCCCCNC(=O)CCNC(=O)C 1626a_100000212291_100000183196 [1,0,0,0,0,0|3,0,0]=4 174 B17R0.38 CCCCCCCCCNC(=O)CCNC(=O)C 240690a_100000212291_100000183196 [1,0,0,0,0,0|3,0,0]=4 175 B17R0.38 CCCCCCCCCNC(=O)CCNC(=O)C 527a_100000212291_100000183196 [1,0,0,0,0,0|3,0,0]=4 176 B17R0.38 CCCCCCCCCNC(=O)CCNC(=O)N 240690a_100000212291_100000181464 [1,0,0,0,0,0|3,0,0]=4 177 B17R0.38 CCCCCCCCCNC(=O)CCNC(=O)N 527a_100000212291_100000181464 [1,0,0,0,0,0|3,0,0]=4 178 B17R0.38 CCCCCCCCCNC(=O)CCSC(=O)C 1626a_100000212291_100000048949 [1,0,0,0,0,0|3,0,0]=4 179 B17R0.38 CCCCCCCCCNC(=O)CCSC(=O)C 240690a_100000212291_100000048949 [1,0,0,0,0,0|3,0,0]=4 180 B17R0.38 CCCCCCCCCNC(=O)COCC(=O)N 1626a_100000212291_100011219004 [1,0,0,0,0,0|3,0,0]=4 181 B17R0.38 CCCCCCCCCNC(=O)COCC(=O)N 240690a_100000212291_100011219004 [1,0,0,0,0,0|3,0,0]=4 182 B17R0.38 CCCCCCCCCNC(=O)COCC(=O)N 527a_100000212291_100011219004 [1,0,0,0,0,0|3,0,0]=4 183 B17R0.38 CCCCCCCCCNC(=O)CSCC(=O)N 11a_100000212291_100000150265 [1,0,0,0,0,0|3,0,0]=4 184 B17R0.38 CCCCCCCCCNC(=O)CSCC(=O)N 240690a_100000212291_100000150265 [1,0,0,0,0,0|3,0,0]=4 185 B17R0.38 CCCCCCCCCNC(=O)CSCC(=O)N 527a_100000212291_100000150265 [1,0,0,0,0,0|3,0,0]=4 186 B17R0.38 CCCCCCCCCNC(=O)NCCC(=O)N 2708a_100000212291_100000740010 [1,0,0,0,0,0|3,0,0]=4 187 B17R0.38 CCCCCCCCCNC(=O)NCCC(=O)N 273464a_100000212291_100000740010 [1,0,0,0,0,0|3,0,0]=4 188 B17R0.38 CCCCCCCCCNC(=O)NCCC(=O)N 273464a_100000740010_100000212291 [1,0,0,0,0,0|3,0,0]=4 189 B17R0.38 CCCCCCCCCNC(=O)NCCC(=O)N 512a_100000212291_100000740010 [1,0,0,0,0,0|3,0,0]=4 190 B17R0.38 CCCCCCCCNCC(=O)NCCC(=O)N 2230a_200138414118_100000210759 [1,0,0,0,0,0|3,0,0]=4 191 B17R0.38 CCCCCCCCOCC(=O)CCCC(=O)C 1458a_100000759886_100011215641 [1,0,0,0,0,0|2,0,0]=3 192 B17R0.38 CCCCCCCCOCC(=O)CCCC(=O)N 1458a_100000759886_100102525003 [1,0,0,0,0,0|2,0,0]=3 193 B17R0.38 CCCCCCCCOCC(=O)CCCC(C)O 1458a_100000759886_200000718107 [1,0,0,0,0,0|2,0,1]=4 194 B17R0.38 CCCCCCCCOCC(=O)CCNC(=O)C 1458a_100000759886_100000189650 [1,0,0,0,0,0|3,0,0]=4 195 B17R0.38 CCCCCCCCOCC(=O)CCNC(=O)N 1458a_100000759886_200000034859 [1,0,0,0,0,0|3,0,0]=4 196 B17R0.38 CCCCCCCCOCC(=O)CCOC(=O)C 1458a_100000759886_100009814007 [1,0,0,0,0,0|3,0,0]=4 197 B17R0.38 CCCCCCCCOCC(=O)CCOC(=O)N 1458a_100000759886_200011214921 [1,0,0,0,0,0|3,0,0]=4 198 B17R0.38 CCCCCCCCOCC(=O)NCCC(=O)N 11a_100000740010_100000759886 [1,0,0,0,0,0|3,0,0]=4 199 B17R0.38 CCCCCCCCOCC(=O)NCCC(=O)N 240690a_100000740010_100000759886 [1,0,0,0,0,0|3,0,0]=4 200 B17R0.38 CCCCCCCCOCC(=O)NCCC(=O)N 527a_100000740010_100000759886 [1,0,0,0,0,0|3,0,0]=4 201 B17R0.38 CN(CCCCCCCCCO)CCCC(=O)O 269956a_100000719178_100009813782 [1,0,0,0,0,0|3,0,0]=4 202 B17R0.38 NC(=O)CCCC(=O)CCCCCCCCCF 1458a_200009909015_100102525003 [1,0,0,0,0,0|2,0,0]=3 203 B17R0.38 NC(=O)CCNC(=O)CCCCCCCCCF 11a_100000740010_200009909015 [1,0,0,0,0,0|3,0,0]=4 204 B17R0.38 NC(=O)CCNC(=O)CCCCCCCCCF 240690a_100000740010_200009909015 [1,0,0,0,0,0|3,0,0]=4 205 B17R0.38 NC(=O)CCNC(=O)CCCCCCCCCF 527a_100000740010_200009909015 [1,0,0,0,0,0|3,0,0]=4 206 B17R0.38 NC(=O)CCNC(=O)CCCCCCCCCO 240690a_100000740010_100000032657 [1,0,0,0,0,0|3,0,0]=4 207 B17R0.38 NC(=O)COCC(=O)CCCCCCCCCO 1458a_100011219004_100009813782 [1,0,0,0,0,0|3,0,0]=4 208 B17R0.38 NC(=O)NCCC(=O)CCCCCCCCCF 1458a_200009909015_200000034859 [1,0,0,0,0,0|3,0,0]=4 209 B17R0.38 NC(=O)NCCC(=O)CCCCCCCCCO 1458a_100000181464_100009813782 [1,0,0,0,0,0|3,0,0]=4 210 B17R0.38 NC(=O)OCCC(=O)CCCCCCCCCF 1458a_200009909015_200011214921 [1,0,0,0,0,0|3,0,0]=4 211 B17R0.38 O=C(CCCCCCCCCO)CCC[N+](=O)[O-] 1458a_100016109205_100009813782 [1,0,0,0,0,0|2,0,1]=4 212 B17R0.43 CC(=O)CCCCCCCCCCCCCCO 1458a_100000070787_100009828009 [1,0,0,0,0,0|2,0,1]=4 213 B17R0.43 CC(=O)CCCNCCCCCCCCCCO 34a_100000066964_100000685027 [1,0,0,0,0,0|3,0,0]=4 214 B17R0.43 CC(=O)CCCOCCCCCCCCCCBr 34a_100009813290_100000685027 [1,0,0,0,0,0|3,0,0]=4 215 B17R0.43 CC(=O)CCCOCCCCCCCCCCBr 7a_100009813290_100011215641 [1,0,0,0,0,0|3,0,0]=4 216 B17R0.43 CC(=O)CCCOCCCCCCCCCCCl 34a_200000033068_100000685027 [1,0,0,0,0,0|3,0,0]=4 217 B17R0.43 CC(=O)CCCOCCCCCCCCCCCl 7a_200000033068_100011215641 [1,0,0,0,0,0|3,0,0]=4 218 B17R0.43 CC(=O)CCCOCCCCCCCCCCN 34a_100000066964_100000685027 [1,0,0,0,0,0|3,0,0]=4 219 B17R0.43 CC(=O)CCCOCCCCCCCCCCO 34a_100000759063_100009813290 [1,0,0,0,0,0|3,0,0]=4 220 B17R0.43 CC(=O)CCCOCCCCCCCCCCO 7a_100000759063_100009813290 [1,0,0,0,0,0|3,0,0]=4 221 B17R0.43 CC(=O)CCCSCCCCCCCCCCO 62a_100009813290_100011215641 [1,0,0,0,0,0|3,0,0]=4 222 B17R0.43 CC(=O)CCCSCCCCCCCCCCO 62a_100011215641_200000033068 [1,0,0,0,0,0|3,0,0]=4 223 B17R0.43 CCCCCCCCCC/C=C/COCC(=O)N 34a_200025761149_100000187820 [1,0,0,0,0,0|2,0,1]=4 224 B17R0.43 CCCCCCCCCC/C=C/COCC(=O)N 7a_200025761149_100000187820 [1,0,0,0,0,0|2,0,1]=4 225 B17R0.43 CCCCCCCCCC/C=C/COCC(=O)[O-] 34a_200025761149_100020667443 [1,0,0,0,0,0|1,0,2]=4 226 B17R0.43 CCCCCCCCCCCCCCNC(=O)C 11a_100011217771_100015343762 [1,0,0,0,0,0|2,0,1]=4 227 B17R0.43 CCCCCCCCCCCCCCNC(=O)C 1626a_100011217771_100015343762 [1,0,0,0,0,0|2,0,1]=4 228 B17R0.43 CCCCCCCCCCCCCCNC(=O)C 240690a_100011217771_100015343762 [1,0,0,0,0,0|2,0,1]=4 229 B17R0.43 CCCCCCCCCCCCCCNC(=O)C 527a_100011217771_100103153847 [1,0,0,0,0,0|2,0,1]=4 230 B17R0.43 CCCCCCCCCCCCCNCC(=O)N 2230a_100000711301_100000210684 [1,0,0,0,0,0|2,0,1]=4 231 B17R0.43 CCCCCCCCCCCCCNCC(=O)N 2230a_100011215765_100000747473 [1,0,0,0,0,0|2,0,1]=4 232 B17R0.43 CCCCCCCCCCCCCNCC(=O)N 34a_100011215765_100000187820 [1,0,0,0,0,0|2,0,1]=4 233 B17R0.43 CCCCCCCCCCCCCNCC(=O)O 269956a_100016091260_100000210684 [1,0,0,0,0,0|1,0,1]=3 234 B17R0.43 CCCCCCCCCCCCCNCC(=O)[O-] 34a_100011215765_100020667443 [1,0,0,0,0,0|1,0,2]=4 235 B17R0.43 CCCCCCCCCCCCCOCC(=O)C 34a_100000211253_100000210684 [1,0,0,0,0,0|2,0,1]=4 236 B17R0.43 CCCCCCCCCCCCCOCC(=O)N 34a_100000185773_100000187820 [1,0,0,0,0,0|2,0,1]=4 237 B17R0.43 CCCCCCCCCCCCCOCC(=O)N 7a_100000185773_100000187820 [1,0,0,0,0,0|2,0,1]=4 238 B17R0.43 CCCCCCCCCCCCCOCC(=O)[O-] 34a_100000185773_100020667443 [1,0,0,0,0,0|1,0,2]=4 239 B17R0.43 CCCCCCCCCCCCCSCC(=O)N 62a_100000747473_100011934334 [1,0,0,0,0,0|2,0,1]=4 240 B17R0.43 CCCCCCCCCCCCCSCC(=O)[O-] 62a_100020667443_100011934334 [1,0,0,0,0,0|1,0,2]=4 241 B17R0.43 CCCCCCCCCCCCNCCC(=O)N 2230a_100000210451_100000744528 [1,0,0,0,0,0|2,0,1]=4 242 B17R0.43 CCCCCCCCCCCCNCCC(=O)N 34a_100000210451_100000731001 [1,0,0,0,0,0|2,0,1]=4 243 B17R0.43 CCCCCCCCCCCCNOCC(=O)O 269956a_100000106656_100000759014 [1,0,0,0,0,0|2,0,1]=4 244 B17R0.43 CCCCCCCCCCCCOCCC(=O)C 34a_100000759926_100000759014 [1,0,0,0,0,0|2,0,1]=4 245 B17R0.43 CCCCCCCCCCCCOCCC(=O)C 7a_100000210810_100000053229 [1,0,0,0,0,0|2,0,1]=4 246 B17R0.43 CCCCCCCCCCCCOCCC(=O)C 7a_100000759926_100000759014 [1,0,0,0,0,0|2,0,1]=4 247 B17R0.43 CCCCCCCCCCCCOCCC(=O)N 34a_100000210810_100000731001 [1,0,0,0,0,0|2,0,1]=4 248 B17R0.43 CCCCCCCCCCCCOCCC(=O)N 34a_100000757172_100000759014 [1,0,0,0,0,0|2,0,1]=4 249 B17R0.43 CCCCCCCCCCCCOCCC(=O)N 7a_100000210810_100000744528 [1,0,0,0,0,0|2,0,1]=4 250 B17R0.43 CCCCCCCCCCCCOCCC(=O)N 7a_100000757172_100000759014 [1,0,0,0,0,0|2,0,1]=4 251 B17R0.43 CCCCCCCCCCCCSCCC(=O)C 1458a_100008107568_200000210301 [1,0,0,0,0,0|2,0,1]=4 252 B17R0.43 CCCCCCCCCCCCSCCC(=O)C 62a_100000053229_100000759014 [1,0,0,0,0,0|2,0,1]=4 253 B17R0.43 CCCCCCCCCCCCSCCC(=O)N 62a_100000744528_100000759014 [1,0,0,0,0,0|2,0,1]=4 254 B17R0.43 CCCCCCCCCCCCSCCC(=O)[13CH3] 1458a_100008107568_200025704644 [1,0,0,0,0,0|2,0,1]=4 255 B17R0.43 CCCCCCCCCCCNCCCC(=O)C 34a_200011215754_100000685027 [1,0,0,0,0,0|2,0,0]=3 256 B17R0.43 CCCCCCCCCCCNCCCC(=O)N 34a_100000739312_100011215454 [1,0,0,0,0,0|2,0,0]=3 257 B17R0.43 CCCCCCCCCCCNCCCC(=O)N 34a_200011215754_100102525003 [1,0,0,0,0,0|2,0,0]=3 258 B17R0.43 CCCCCCCCCCCNCCCC(C)O 2230a_200011215754_200000718107 [1,0,0,0,0,0|2,0,1]=4 259 B17R0.43 CCCCCCCCCCCNCCCC(C)O 34a_200011215754_200000718107 [1,0,0,0,0,0|2,0,1]=4 260 B17R0.43 CCCCCCCCCCCNCCCS(=O)C 2230a_200000753449_100011215454 [1,0,0,0,0,0|3,0,0]=4 261 B17R0.43 CCCCCCCCCCCNCCNC(=O)C 2230a_100000209853_100011215454 [1,0,0,0,0,0|3,0,0]=4 262 B17R0.43 CCCCCCCCCCCNCCNC(=O)C 2230a_200011215754_100000189650 [1,0,0,0,0,0|3,0,0]=4 263 B17R0.43 CCCCCCCCCCCNCCNC(=O)N 2230a_200011215754_200000034859 [1,0,0,0,0,0|3,0,0]=4 264 B17R0.43 CCCCCCCCCCCNCCNC(=O)N 34a_100020590234_100011215454 [1,0,0,0,0,0|3,0,0]=4 265 B17R0.43 CCCCCCCCCCCNCCOC(=O)C 34a_200011215754_100009814007 [1,0,0,0,0,0|3,0,0]=4 266 B17R0.43 CCCCCCCCCCCNCCOC(=O)N 34a_200011215754_200011214921 [1,0,0,0,0,0|3,0,0]=4 267 B17R0.43 CCCCCCCCCCCOCCCC(=O)C 34a_100000210809_100000685027 [1,0,0,0,0,0|2,0,0]=3 268 B17R0.43 CCCCCCCCCCCOCCCC(=O)C 34a_100000759063_100011215454 [1,0,0,0,0,0|2,0,0]=3 269 B17R0.43 CCCCCCCCCCCOCCCC(=O)C 7a_100000210809_100011215641 [1,0,0,0,0,0|2,0,0]=3 270 B17R0.43 CCCCCCCCCCCOCCCC(=O)C 7a_100000759063_100011215454 [1,0,0,0,0,0|2,0,0]=3 271 B17R0.43 CCCCCCCCCCCOCCCC(=O)N 34a_100000210809_100102525003 [1,0,0,0,0,0|2,0,0]=3 272 B17R0.43 CCCCCCCCCCCOCCCC(=O)N 7a_100000210809_100102525003 [1,0,0,0,0,0|2,0,0]=3 273 B17R0.43 CCCCCCCCCCCOCCCC(C)O 34a_100000210809_200000718107 [1,0,0,0,0,0|2,0,1]=4 274 B17R0.43 CCCCCCCCCCCOCCCC(C)O 7a_100000210809_200000718107 [1,0,0,0,0,0|2,0,1]=4 275 B17R0.43 CCCCCCCCCCCOCCC[N+](=O)[O-] 34a_200000037920_100011215454 [1,0,0,0,0,0|2,0,1]=4 276 B17R0.43 CCCCCCCCCCCOCCNC(=O)C 34a_100000158858_100011215454 [1,0,0,0,0,0|3,0,0]=4 277 B17R0.43 CCCCCCCCCCCOCCNC(=O)C 7a_100000210809_100000189650 [1,0,0,0,0,0|3,0,0]=4 278 B17R0.43 CCCCCCCCCCCOCCNC(=O)N 34a_100000181757_100011215454 [1,0,0,0,0,0|3,0,0]=4 279 B17R0.43 CCCCCCCCCCCOCCNC(=O)N 7a_100000210809_200000034859 [1,0,0,0,0,0|3,0,0]=4 280 B17R0.43 CCCCCCCCCCCOCCOC(=O)C 34a_100000210809_100009814007 [1,0,0,0,0,0|3,0,0]=4 281 B17R0.43 CCCCCCCCCCCOCCOC(=O)C 7a_100000210809_100009814007 [1,0,0,0,0,0|3,0,0]=4 282 B17R0.43 CCCCCCCCCCCOCCOC(=O)N 34a_100000210809_200011214921 [1,0,0,0,0,0|3,0,0]=4 283 B17R0.43 CCCCCCCCCCCOCCOC(=O)N 7a_100000210809_200011214921 [1,0,0,0,0,0|3,0,0]=4 284 B17R0.43 CCCCCCCCCCCOCCOC(=O)N 7a_100000766696_100011215454 [1,0,0,0,0,0|3,0,0]=4 285 B17R0.43 CCCCCCCCCCCSCCCC(=O)C 62a_100011215641_100011215454 [1,0,0,0,0,0|2,0,0]=3 286 B17R0.43 CCCCCCCCCCCSCCCC(=O)N 62a_100102525003_100011215454 [1,0,0,0,0,0|2,0,0]=3 287 B17R0.43 CCCCCCCCCCCSCCCC(C)O 62a_200000718107_100011215454 [1,0,0,0,0,0|2,0,1]=4 288 B17R0.43 CCCCCCCCCCCSCCNC(=O)C 62a_100000189650_100011215454 [1,0,0,0,0,0|3,0,0]=4 289 B17R0.43 CCCCCCCCCCCSCCNC(=O)N 62a_200000034859_100011215454 [1,0,0,0,0,0|3,0,0]=4 290 B17R0.43 CCCCCCCCCCCSCCOC(=O)C 62a_100009814007_100011215454 [1,0,0,0,0,0|3,0,0]=4 291 B17R0.43 CCCCCCCCCCCSCCOC(=O)N 62a_200011214921_100011215454 [1,0,0,0,0,0|3,0,0]=4 292 B17R0.43 CCCCCCCCCCNCCCCC(=O)C 34a_100000684558_100009817362 [1,0,0,0,0,0|2,0,1]=4 293 B17R0.43 CCCCCCCCCCNCCCCC(=O)N 34a_100000696515_100000210320 [1,0,0,0,0,0|2,0,1]=4 294 B17R0.43 CCCCCCCCCCNCCOCC(=O)O 269956a_100000700818_100000210320 [1,0,0,0,0,0|2,0,1]=4 295 B17R0.43 CCCCCCCCCCOCCCCC(=O)C 34a_100000210711_100009817362 [1,0,0,0,0,0|2,0,1]=4 296 B17R0.43 CCCCCCCCCCOCCCCC(=O)C 7a_100000210711_100000735457 [1,0,0,0,0,0|2,0,1]=4 297 B17R0.43 CCCCCCCCCCOCCCCC(=O)N 34a_100012022536_100000210320 [1,0,0,0,0,0|2,0,1]=4 298 B17R0.43 CCCCCCCCCCOCCCCC(=O)N 7a_100012022536_100000210320 [1,0,0,0,0,0|2,0,1]=4 299 B17R0.43 CCCCCCCCCCSCCCCC(=O)C 62a_100000735457_100000210320 [1,0,0,0,0,0|2,0,1]=4 300 B17R0.43 CCCCCCCCCNCCCCCC(=O)N 2230a_100000212291_100009817443 [1,0,0,0,0,0|2,0,1]=4 301 B17R0.43 CCCCCCCCCNCCCCCC(=O)N 34a_100000212291_100009817443 [1,0,0,0,0,0|2,0,1]=4 302 B17R0.43 CCCCCCCCCOCCCCCC(=O)N 34a_100000123541_100011214924 [1,0,0,0,0,0|2,0,1]=4 303 B17R0.43 CCCCCCCCCOCCCCCC(=O)N 34a_100000210712_100009817443 [1,0,0,0,0,0|2,0,1]=4 304 B17R0.43 CCCCCCCCCOCCCCCC(=O)N 7a_100000123541_100000210328 [1,0,0,0,0,0|2,0,1]=4 305 B17R0.43 CCCCCCCCCOCCCCCC(=O)N 7a_100000210712_100009817443 [1,0,0,0,0,0|2,0,1]=4 306 B17R0.43 CCCCCCCCCOCCCCCC(=O)[O-] 7a_100102619762_100000210328 [1,0,0,0,0,0|1,0,2]=4 307 B17R0.43 CCCCCCCCCSCCCCCC(=O)N 62a_100009817443_100000210670 [1,0,0,0,0,0|2,0,1]=4 308 B17R0.43 CCCCNCCCCCCCCCCC(=O)N 2230a_100000102301_200010167045 [1,0,0,0,0,0|2,0,1]=4 309 B17R0.43 CCCCNCCCCCCCCCCC(=O)N 7a_106832991798_200010167045 [1,0,0,0,0,0|2,0,1]=4 310 B17R0.43 CCCCOCCCCCCCCCCC(=O)N 34a_100000210227_200010167045 [1,0,0,0,0,0|2,0,1]=4 311 B17R0.43 CCCCOCCCCCCCCCCC(=O)N 7a_100000210227_200010167045 [1,0,0,0,0,0|2,0,1]=4 312 B17R0.43 CCCCSCCCCCCCCCCC(=O)N 62a_100000210211_200010167045 [1,0,0,0,0,0|2,0,1]=4 313 B17R0.43 CCCCSCCCCCCCCCCC(=O)N 62a_200010167045_100000210210 [1,0,0,0,0,0|2,0,1]=4 314 B17R0.43 NC(=O)CCCNCCCCCCCCCCO 34a_100000066964_100102525003 [1,0,0,0,0,0|3,0,0]=4 315 B17R0.43 NC(=O)CCCNCCCCCCCCCCO 34a_100000739312_100009813290 [1,0,0,0,0,0|3,0,0]=4 316 B17R0.43 NC(=O)CCCOCCCCCCCCCCBr 34a_100009813290_100102525003 [1,0,0,0,0,0|3,0,0]=4 317 B17R0.43 NC(=O)CCCOCCCCCCCCCCBr 7a_100009813290_100102525003 [1,0,0,0,0,0|3,0,0]=4 318 B17R0.43 NC(=O)CCCOCCCCCCCCCCCl 34a_200000033068_100102525003 [1,0,0,0,0,0|3,0,0]=4 319 B17R0.43 NC(=O)CCCOCCCCCCCCCCCl 7a_200000033068_100102525003 [1,0,0,0,0,0|3,0,0]=4 320 B17R0.43 NC(=O)CCCSCCCCCCCCCCO 62a_100009813290_100102525003 [1,0,0,0,0,0|3,0,0]=4 321 B17R0.43 NC(=O)CCCSCCCCCCCCCCO 62a_100102525003_200000033068 [1,0,0,0,0,0|3,0,0]=4 322 B17R0.43 NCCCCCCCCCCOCCCC(=O)N 34a_100000066964_100102525003 [1,0,0,0,0,0|3,0,0]=4 323 B17R0.43 O=C(O)CNCCCCCCCCCCCCO 269956a_100016091260_100009813331 [1,0,0,0,0,0|2,0,1]=4 324 B17R0.3110 C#CCCCC(=O)CCCCCCCCCCC 1458a_100000210736_100000731252 [1,0,0,0,0,0|1,0,1]=3 325 B17R0.3110 C#CCCCC(=O)CCCCCCCCCCC 1458a_100000690238_100011215454 [1,0,0,0,0,0|1,0,1]=3 326 B17R0.3110 C#CCCCC(=O)CCCCCCCCCCO 1458a_100000690238_100009813290 [1,0,0,0,0,0|2,0,1]=4 327 B17R0.3110 C#CCCCC(=O)NCCCCCCCCCC 11a_100000684558_100000690238 [1,0,0,0,0,0|2,0,1]=4 328 B17R0.3110 C#CCCCC(=O)NCCCCCCCCCC 1626a_100000684558_100000690238 [1,0,0,0,0,0|2,0,1]=4 329 B17R0.3110 C#CCCCC(=O)NCCCCCCCCCC 240690a_100000684558_100000690238 [1,0,0,0,0,0|2,0,1]=4 330 B17R0.3110 C#CCCCC(=O)NCCCCCCCCCC 527a_100000684558_100000690238 [1,0,0,0,0,0|2,0,1]=4 331 B17R0.3110 C#CCCNC(=O)CCCCCCCCCCC 11a_100000755551_100000210736 [1,0,0,0,0,0|2,0,1]=4 332 B17R0.3110 C#CCCNC(=O)CCCCCCCCCCC 1626a_100000755551_100000210736 [1,0,0,0,0,0|2,0,1]=4 333 B17R0.3110 C#CCCNC(=O)CCCCCCCCCCC 240690a_100000755551_100000210736 [1,0,0,0,0,0|2,0,1]=4 334 B17R0.3110 C#CCOCC(=O)CCCCCCCCCCC 1458a_100011251226_100011215454 [1,0,0,0,0,0|2,0,1]=4 335 B17R0.3110 C=CCCCC(=O)C=CCCCCCCCCC 1458a_200015352897_100000757094 [1,0,0,0,0,0|1,0,2]=4 336 B17R0.3110 C=CCCCC(=O)CCCCCCCCCCC 1458a_100000210736_100000757094 [1,0,0,0,0,0|1,0,0]=2 337 B17R0.3110 C=CCCCC(=O)CCCCCCCCCCC 1458a_100000766728_100011215454 [1,0,0,0,0,0|1,0,0]=2 338 B17R0.3110 C=CCCCC(=O)CCCCCCCCCCO 1458a_100000766728_100009813290 [1,0,0,0,0,0|2,0,0]=3 339 B17R0.3110 C=CCCCC(=O)NCCCCCCCCCC 11a_100000684558_100000766728 [1,0,0,0,0,0|2,0,0]=3 340 B17R0.3110 C=CCCCC(=O)NCCCCCCCCCC 1626a_100000684558_100000766728 [1,0,0,0,0,0|2,0,0]=3 341 B17R0.3110 C=CCCCC(=O)NCCCCCCCCCC 240690a_100000684558_100000766728 [1,0,0,0,0,0|2,0,0]=3 342 B17R0.3110 C=CCCCC(=O)NCCCCCCCCCC 527a_100000684558_100000766728 [1,0,0,0,0,0|2,0,0]=3 343 B17R0.3110 C=CCCCC(=O)NCCCCCCCCCO 240690a_100000078944_100000766728 [1,0,0,0,0,0|3,0,0]=4 344 B17R0.3110 C=CCCCCCCCCCC(=O)CCCC=C 1458a_100000766728_100009814027 [1,0,0,0,0,0|1,0,2]=4 345 B17R0.3110 C=CCCCCCCCCCC(=O)CCCCO 1458a_100000695505_100009814027 [1,0,0,0,0,0|0,0,3]=4 346 B17R0.3110 C=CCCNC(=O)CCCCCCCCCCC 11a_100015191253_100000210736 [1,0,0,0,0,0|2,0,0]=3 347 B17R0.3110 C=CCCNC(=O)CCCCCCCCCCC 1626a_100015191253_100000210736 [1,0,0,0,0,0|2,0,0]=3 348 B17R0.3110 C=CCCNC(=O)CCCCCCCCCCC 240690a_100015191253_100000210736 [1,0,0,0,0,0|2,0,0]=3 349 B17R0.3110 C=CCCNC(=O)CCCCCCCCCCO 240690a_100015191253_200000016029 [1,0,0,0,0,0|3,0,0]=4 350 B17R0.3110 C=CCCNC(=O)NCCCCCCCCCC 2708a_100000684558_100015191253 [1,0,0,0,0,0|3,0,0]=4 351 B17R0.3110 C=CCCNC(=O)NCCCCCCCCCC 2708a_100015191253_100000684558 [1,0,0,0,0,0|3,0,0]=4 352 B17R0.3110 C=CCCNC(=O)NCCCCCCCCCC 273464a_100000684558_100015191253 [1,0,0,0,0,0|3,0,0]=4 353 B17R0.3110 C=CCCNC(=O)NCCCCCCCCCC 273464a_100015191253_100000684558 [1,0,0,0,0,0|3,0,0]=4 354 B17R0.3110 C=CCCNC(=O)NCCCCCCCCCC 512a_100000684558_100015191253 [1,0,0,0,0,0|3,0,0]=4 355 B17R0.3110 C=CCCNC(=O)NCCCCCCCCCC 512a_100015191253_100000684558 [1,0,0,0,0,0|3,0,0]=4 356 B17R0.3110 C=CCNCC(=O)OCCCCCCCCCC 2230a_100020586998_100000210668 [1,0,0,0,0,0|3,0,0]=4 357 B17R0.3110 C=CCNNC(=O)CCCCCCCCCCC 22a_100020588587_100000210736 [1,0,0,0,0,0|3,0,0]=4 358 B17R0.3110 C=CCOCC(=O)OCCCCCCCCCC 34a_200000210373_100000210668 [1,0,0,0,0,0|3,0,0]=4 359 B17R0.3110 C=CCSCC(=O)CCCCCCCCCCC 1458a_100000230395_100011215454 [1,0,0,0,0,0|2,0,0]=3 360 B17R0.3110 C=CCSCC(=O)CCCCCCCCCCO 1458a_100000230395_100009813290 [1,0,0,0,0,0|3,0,0]=4 361 B17R0.3110 C=CCSCC(=O)NCCCCCCCCCC 11a_100000684558_100000230395 [1,0,0,0,0,0|3,0,0]=4 362 B17R0.3110 C=CCSCC(=O)NCCCCCCCCCC 1626a_100000684558_100000230395 [1,0,0,0,0,0|3,0,0]=4 363 B17R0.3110 C=CCSCC(=O)NCCCCCCCCCC 240690a_100000684558_100000230395 [1,0,0,0,0,0|3,0,0]=4 364 B17R0.3110 C=CCSCC(=O)NCCCCCCCCCC 527a_100000684558_100000230395 [1,0,0,0,0,0|3,0,0]=4 365 B17R0.3110 C=CCSCC(=O)OCCCCCCCCCC 62a_100000210623_100000680656 [1,0,0,0,0,0|3,0,0]=4 366 B17R0.3110 C=CCSCC(=O)OCCCCCCCCCC 62a_100000680656_100000210623 [1,0,0,0,0,0|3,0,0]=4 367 B17R0.3110 C=COCCC(=O)CCCCCCCCCCC 1458a_100000210736_100000039644 [1,0,0,0,0,0|2,0,0]=3 368 B17R0.3110 CCCCCC(=O)CCCCCCCCCCO 1458a_100000212188_100009813290 [1,0,0,0,0,0|2,0,1]=4 369 B17R0.3110 CCCCCCCCCC=CC(=O)CCCCO 1458a_200015352897_100000210776 [1,0,0,0,0,0|0,0,3]=4 370 B17R0.3110 CCCCCCCCCCCC(=O)CC#CCO 1458a_100000210736_200000047223 [1,0,0,0,0,0|0,0,3]=4 371 B17R0.3110 CCCCCCCCCCCC(=O)CCCC#N 1458a_100000075515_100011215454 [1,0,0,0,0,0|1,0,1]=3 372 B17R0.3110 CCCCCCCCCCCC(=O)CCCC#N 1458a_100000210736_100000211468 [1,0,0,0,0,0|1,0,1]=3 373 B17R0.3110 CCCCCCCCCCCC(=O)CCCCF 1458a_100000210736_100000729493 [1,0,0,0,0,0|1,0,1]=3 374 B17R0.3110 CCCCCCCCCCCC(=O)CCCCO 1458a_100000210736_100000210776 [1,0,0,0,0,0|0,0,1]=2 375 B17R0.3110 CCCCCCCCCCCC(=O)CCCCO 1458a_100000695505_100011215454 [1,0,0,0,0,0|0,0,1]=2 376 B17R0.3110 CCCCCCCCCCCC(=O)CCCOC 1458a_100000210736_100000740836 [1,0,0,0,0,0|2,0,0]=3 377 B17R0.3110 CCCCCCCCCCCC(=O)CCCOC 1458a_100000741012_100011215454 [1,0,0,0,0,0|2,0,0]=3 378 B17R0.3110 CCCCCCCCCCCC(=O)CCCSC 1458a_100000173376_100011215454 [1,0,0,0,0,0|2,0,0]=3 379 B17R0.3110 CCCCCCCCCCCC(=O)CCN=[N+]=[N-] 1458a_100000688302_100011215454 [1,0,0,0,0,0|3,0,0]=4 380 B17R0.3110 CCCCCCCCCCCC(=O)CCOCC 1458a_100000210736_100011215890 [1,0,0,0,0,0|2,0,1]=4 381 B17R0.3110 CCCCCCCCCCCC(=O)CCOCC 1458a_100000749530_100011215454 [1,0,0,0,0,0|2,0,1]=4 382 B17R0.3110 CCCCCCCCCCCC(=O)CCSCC 1458a_100000210736_100000757381 [1,0,0,0,0,0|2,0,1]=4 383 B17R0.3110 CCCCCCCCCCCC(=O)CCSCC 1458a_100000230768_100011215454 [1,0,0,0,0,0|2,0,1]=4 384 B17R0.3110 CCCCCCCCCCCC(=O)COCCC 1458a_100000745993_100011215454 [1,0,0,0,0,0|2,0,1]=4 385 B17R0.3110 CCCCCCCCCCCC(=O)COCCO 1458a_100000708028_100011215454 [1,0,0,0,0,0|1,0,1]=3 386 B17R0.3110 CCCCCCCCCCCC(=O)CSCC#N 1458a_100000150266_100011215454 [1,0,0,0,0,0|2,0,1]=4 387 B17R0.3110 CCCCCCCCCCCC(=O)CSCCC 1458a_100000217233_100011215454 [1,0,0,0,0,0|2,0,1]=4 388 B17R0.3110 CCCCCCCCCCCC(=O)NCCC#N 11a_100000720768_100000210736 [1,0,0,0,0,0|2,0,1]=4 389 B17R0.3110 CCCCCCCCCCCC(=O)NCCC#N 1626a_100000720768_100000210736 [1,0,0,0,0,0|2,0,1]=4 390 B17R0.3110 CCCCCCCCCCCC(=O)NCCC#N 240690a_100000720768_100000210736 [1,0,0,0,0,0|2,0,1]=4 391 B17R0.3110 CCCCCCCCCCCC(=O)NCCCC 11a_100000102301_100000210736 [1,0,0,0,0,0|2,0,1]=4 392 B17R0.3110 CCCCCCCCCCCC(=O)NCCCC 1626a_100000102301_100000210736 [1,0,0,0,0,0|2,0,1]=4 393 B17R0.3110 CCCCCCCCCCCC(=O)NCCCC 240690a_100000102301_100000210736 [1,0,0,0,0,0|2,0,1]=4 394 B17R0.3110 CCCCCCCCCCCC(=O)NCCCF 11a_100015189416_100000210736 [1,0,0,0,0,0|2,0,1]=4 395 B17R0.3110 CCCCCCCCCCCC(=O)NCCCF 1626a_100015189416_100000210736 [1,0,0,0,0,0|2,0,1]=4 396 B17R0.3110 CCCCCCCCCCCC(=O)NCCCF 240690a_100015189416_100000210736 [1,0,0,0,0,0|2,0,1]=4 397 B17R0.3110 CCCCCCCCCCCC(=O)NCCCO 240690a_100000182051_100000210736 [1,0,0,0,0,0|1,0,1]=3 398 B17R0.3110 CCCCCCCCCCCC(=O)NCCOC 1626a_100000209980_100000210736 [1,0,0,0,0,0|3,0,0]=4 399 B17R0.3110 CCCCCCCCCCCC(=O)NCCOC 240690a_100000209980_100000210736 [1,0,0,0,0,0|3,0,0]=4 400 B17R0.3110 CCCCCCCCCCCC(=O)NCCOC 34a_100007860320_200000210301 [1,0,0,0,0,0|3,0,0]=4 401 B17R0.3110 CCCCCCCCCCCC(=O)NCCOC 7a_100007860320_200000210301 [1,0,0,0,0,0|3,0,0]=4 402 B17R0.3110 CCCCCCCCCCCC(=O)NCCO[13CH3] 34a_100007860320_200025704644 [1,0,0,0,0,0|3,0,0]=4 403 B17R0.3110 CCCCCCCCCCCC(=O)NCCO[13CH3] 7a_100007860320_200025704644 [1,0,0,0,0,0|3,0,0]=4 404 B17R0.3110 CCCCCCCCCCCC(=O)NCCSC 11a_100020590264_100000210736 [1,0,0,0,0,0|3,0,0]=4 405 B17R0.3110 CCCCCCCCCCCC(=O)NCCSC 1626a_100020590264_100000210736 [1,0,0,0,0,0|3,0,0]=4 406 B17R0.3110 CCCCCCCCCCCC(=O)NCCSC 240690a_100020590264_100000210736 [1,0,0,0,0,0|3,0,0]=4 407 B17R0.3110 CCCCCCCCCCCC(=O)NNCCO 22a_100000210001_100000210736 [1,0,0,0,0,0|2,0,1]=4 408 B17R0.3110 CCCCCCCCCCCC(=O)OCCNC 2230a_106832991635_100000091854 [1,0,0,0,0,0|3,0,0]=4 409 B17R0.3110 CCCCCCCCCCCC(=O)OCCNC 34a_100102657272_100000091854 [1,0,0,0,0,0|3,0,0]=4 410 B17R0.3110 CCCCCCCCCCCC(=O)OCCNC 7a_106832991635_100000091854 [1,0,0,0,0,0|3,0,0]=4 411 B17R0.3110 CCCCCCCCCCCC(=O)OCCOC 34a_100138415774_100000091854 [1,0,0,0,0,0|3,0,0]=4 412 B17R0.3110 CCCCCCCCCCCC(=O)OCCSC 62a_200000210301_100000091854 [1,0,0,0,0,0|3,0,0]=4 413 B17R0.3110 CCCCCCCCCCCC(=O)OCCS[13CH3] 62a_200025704644_100000091854 [1,0,0,0,0,0|3,0,0]=4 414 B17R0.3110 CCCCCCCCCCCN(C)CCCCO 2230a_100000717598_100011215454 [1,0,0,0,0,0|2,0,1]=4 415 B17R0.3110 CCCCCCCCCCCN(C)CCCCO 269982a_100000717598_100011215454 [1,0,0,0,0,0|2,0,1]=4 416 B17R0.3110 CCCCCCCCCCNC(=O)CCCC#N 11a_100000684558_100000075515 [1,0,0,0,0,0|2,0,1]=4 417 B17R0.3110 CCCCCCCCCCNC(=O)CCCC#N 1626a_100000684558_100000075515 [1,0,0,0,0,0|2,0,1]=4 418 B17R0.3110 CCCCCCCCCCNC(=O)CCCC#N 240690a_100000684558_100000075515 [1,0,0,0,0,0|2,0,1]=4 419 B17R0.3110 CCCCCCCCCCNC(=O)CCCC#N 527a_100000684558_100000075515 [1,0,0,0,0,0|2,0,1]=4 420 B17R0.3110 CCCCCCCCCCNC(=O)CCCCC 11a_100000684558_100000212188 [1,0,0,0,0,0|2,0,1]=4 421 B17R0.3110 CCCCCCCCCCNC(=O)CCCCC 1626a_100000684558_100000212188 [1,0,0,0,0,0|2,0,1]=4 422 B17R0.3110 CCCCCCCCCCNC(=O)CCCCC 240690a_100000684558_100000212188 [1,0,0,0,0,0|2,0,1]=4 423 B17R0.3110 CCCCCCCCCCNC(=O)CCCCC 527a_100000684558_100000212188 [1,0,0,0,0,0|2,0,1]=4 424 B17R0.3110 CCCCCCCCCCNC(=O)CCCCO 1626a_100000684558_100000695505 [1,0,0,0,0,0|1,0,1]=3 425 B17R0.3110 CCCCCCCCCCNC(=O)CCCOC 11a_100000684558_100000741012 [1,0,0,0,0,0|3,0,0]=4 426 B17R0.3110 CCCCCCCCCCNC(=O)CCCOC 1626a_100000684558_100000741012 [1,0,0,0,0,0|3,0,0]=4 427 B17R0.3110 CCCCCCCCCCNC(=O)CCCOC 240690a_100000684558_100000741012 [1,0,0,0,0,0|3,0,0]=4 428 B17R0.3110 CCCCCCCCCCNC(=O)CCCOC 527a_100000684558_100000741012 [1,0,0,0,0,0|3,0,0]=4 429 B17R0.3110 CCCCCCCCCCNC(=O)CCCSC 11a_100000684558_100000173376 [1,0,0,0,0,0|3,0,0]=4 430 B17R0.3110 CCCCCCCCCCNC(=O)CCCSC 1626a_100000684558_100000173376 [1,0,0,0,0,0|3,0,0]=4 431 B17R0.3110 CCCCCCCCCCNC(=O)CCCSC 240690a_100000684558_100000173376 [1,0,0,0,0,0|3,0,0]=4 432 B17R0.3110 CCCCCCCCCCNC(=O)CCCSC 527a_100000684558_100000173376 [1,0,0,0,0,0|3,0,0]=4 433 B17R0.3110 CCCCCCCCCCNC(=O)COCCO 1626a_100000684558_100000708028 [1,0,0,0,0,0|2,0,1]=4 434 B17R0.3110 CCCCCCCCCCNC(=O)COCCO 240690a_100000684558_100000708028 [1,0,0,0,0,0|2,0,1]=4 435 B17R0.3110 CCCCCCCCCCNC(=O)NCCCO 2708a_100000684558_100000182051 [1,0,0,0,0,0|2,0,1]=4 436 B17R0.3110 CCCCCCCCCCNC(=O)NCCCO 273464a_100000182051_100000684558 [1,0,0,0,0,0|2,0,1]=4 437 B17R0.3110 CCCCCCCCCCNC(=O)NCCCO 273464a_100000684558_100000182051 [1,0,0,0,0,0|2,0,1]=4 438 B17R0.3110 CCCCCCCCCCNC(=O)NCCCO 512a_100000684558_100000182051 [1,0,0,0,0,0|2,0,1]=4 439 B17R0.3110 CCCCCCCCCCOC(=O)CNCCO 2230a_100016997473_100000210668 [1,0,0,0,0,0|2,0,1]=4 440 B17R0.3110 CCCCCCCCCCOC(=O)CNCCO 34a_100016990907_100000210668 [1,0,0,0,0,0|2,0,1]=4 441 B17R0.3110 CCCCCCCCCCOC(=O)CSCC=O 62a_100000680656_200015260668 [1,0,0,0,0,0|2,0,0]=3 442 B17R0.3110 CCCCCCCCCCOC(=O)CSCC=O 62a_200015260668_100000680656 [1,0,0,0,0,0|2,0,0]=3 443 B17R0.3110 CCCCCCCCCCOC(=O)CSCCO 62a_100000211926_100000680656 [1,0,0,0,0,0|2,0,1]=4 444 B17R0.3110 CCCCCCCCCCOC(=O)CSCCO 62a_100000680656_100000211926 [1,0,0,0,0,0|2,0,1]=4 445 B17R0.3110 CCCCCCCCCNCC(=O)CCCCC 2230a_100000212291_200012276598 [1,0,0,0,0,0|2,0,1]=4 446 B17R0.3110 CCCCCCCCCNCC(=O)CCCCC 34a_100000212291_200012276598 [1,0,0,0,0,0|2,0,1]=4 447 B17R0.3110 CCCCCCCCCOCC(=O)CCCCC 34a_100000210712_200012276598 [1,0,0,0,0,0|2,0,1]=4 448 B17R0.3110 CCCCCCCCCOCC(=O)CCCCC 7a_100000210712_200012276598 [1,0,0,0,0,0|2,0,1]=4 449 B17R0.3110 CCCCCCCCCSCC(=O)CCCCC 62a_200012276598_100000210670 [1,0,0,0,0,0|2,0,1]=4 450 B17R0.3110 COCCCC(=O)CCCCCCCCCCO 1458a_100000741012_100009813290 [1,0,0,0,0,0|3,0,0]=4 451 B17R0.3110 CSCCCC(=O)CCCCCCCCCCO 1458a_100000173376_100009813290 [1,0,0,0,0,0|3,0,0]=4 452 B17R0.3110 N#CCCCC(=O)CCCCCCCCCCO 1458a_100000075515_100009813290 [1,0,0,0,0,0|2,0,1]=4 453 B17R0.3110 O=C(CCCCCCCCCCO)COCCO 1458a_100000708028_100009813290 [1,0,0,0,0,0|2,0,1]=4 454 B17R0.3110 O=C(CCCCCCCCCCO)NCCCO 240690a_100000182051_200000016029 [1,0,0,0,0,0|2,0,1]=4 455 B17R0.3110 O=C(CCCCO)CCCCCCCCCCO 1458a_100000695505_100009813290 [1,0,0,0,0,0|1,0,1]=3 456 B19R0.33 CCCCCCCCCCCC(=O)CC(=O)NC(=O)C 1458a_100000210736_100000183797 [0,1,0,0,0,0|2,0,1]=4 457 B19R0.33 CCCCCCCCCCCC(=O)CC(=O)NC(=O)N 1458a_100000210736_100000182717 [0,1,0,0,0,0|2,0,1]=4 458 B19R0.33 CCCCCCCCCCOC(=O)CC(=O)CC(=O)N 1458a_100134613110_100000210668 [0,1,0,0,0,0|2,0,1]=4 459 B19R0.33 CCCCCCCCCCOC(=O)CN(C)CC(=O)N 2230a_100000739694_100000210668 [0,1,0,0,0,0|3,0,0]=4 460 B19R0.33 CCCCCCCCCCOC(=O)CN(C)CC(=O)O 269956a_100000746989_100000210668 [0,1,0,0,0,0|2,0,0]=3 461 B19R0.92 C=CCCCCCCCCCCC(=O)CCNC(=O)C 1458a_100000183196_100011093070 [0,1,0,0,0,0|2,0,1]=4 462 B19R0.92 C=CCCCCCCCCCCC(=O)CCNC(=O)N 1458a_100000181464_100011093070 [0,1,0,0,0,0|2,0,1]=4 463 B19R0.92 C=CCCCCCCCCCCC(=O)CCSC(=O)C 1458a_100000048949_100011093070 [0,1,0,0,0,0|2,0,1]=4 464 B19R0.92 CC(=O)NCCC(=O)CCCCCCCCCCCO 1458a_100000183196_100009812471 [0,1,0,0,0,0|2,0,0]=3 465 B19R0.92 CC(=O)NCCC(=O)NCCCCCCCCCCO 240690a_100000066964_100000183196 [0,1,0,0,0,0|3,0,0]=4 466 B19R0.92 CC(=O)SCCC(=O)CCCCCCCCCCCO 1458a_100000048949_100009812471 [0,1,0,0,0,0|2,0,0]=3 467 B19R0.92 CC(=O)SCCC(=O)NCCCCCCCCCCO 240690a_100000066964_100000048949 [0,1,0,0,0,0|3,0,0]=4 468 B19R0.92 CC(O)CCNC(=O)CCCCCCCCCCCO 240690a_200000755665_100000037981 [0,1,0,0,0,0|2,0,1]=4 469 B19R0.92 CCCCC#CCCCCCCC(=O)CCC[N+](=O)[O-] 1458a_100016109205_200000043322 [0,1,0,0,0,0|1,0,2]=4 470 B19R0.92 CCCCC#CCCCCCCC(=O)CCNC(=O)C 1458a_100000183196_200000043322 [0,1,0,0,0,0|2,0,1]=4 471 B19R0.92 CCCCC#CCCCCCCC(=O)CCNC(=O)N 1458a_100000181464_200000043322 [0,1,0,0,0,0|2,0,1]=4 472 B19R0.92 CCCCC#CCCCCCCC(=O)CCSC(=O)C 1458a_100000048949_200000043322 [0,1,0,0,0,0|2,0,1]=4 473 B19R0.92 CCCCC#CCCCCCCC(=O)COCC(=O)N 1458a_100011219004_200000043322 [0,1,0,0,0,0|2,0,1]=4 474 B19R0.92 CCCCC#CCCCCCCN(C)CCCC(=O)O 269956a_100000719178_200000043322 [0,1,0,0,0,0|2,0,1]=4 475 B19R0.92 CCCCCCCCCCC=CC(=O)NCCC(=O)N 11a_100000740010_100015291182 [0,1,0,0,0,0|2,0,1]=4 476 B19R0.92 CCCCCCCCCCC=CC(=O)NCCC(=O)N 240690a_100000740010_100015291182 [0,1,0,0,0,0|2,0,1]=4 477 B19R0.92 CCCCCCCCCCCCC(=O)CCN=C(N)N 1458a_100000033030_100000759014 [0,1,0,0,0,0|3,0,0]=4 478 B19R0.92 CCCCCCCCCCCCC(=O)CCNC(=O)C 1458a_100000183196_100000759014 [0,1,0,0,0,0|2,0,0]=3 479 B19R0.92 CCCCCCCCCCCCC(=O)CCNC(=O)C 1458a_100011215791_100000189650 [0,1,0,0,0,0|2,0,0]=3 480 B19R0.92 CCCCCCCCCCCCC(=O)CCNC(=O)N 1458a_100000181464_100000759014 [0,1,0,0,0,0|2,0,0]=3 481 B19R0.92 CCCCCCCCCCCCC(=O)CCNC(=O)N 1458a_100011215791_200000034859 [0,1,0,0,0,0|2,0,0]=3 482 B19R0.92 CCCCCCCCCCCCC(=O)CCOC(=O)C 1458a_100011215791_100009814007 [0,1,0,0,0,0|2,0,0]=3 483 B19R0.92 CCCCCCCCCCCCC(=O)CCOC(=O)N 1458a_100011215791_200011214921 [0,1,0,0,0,0|2,0,0]=3 484 B19R0.92 CCCCCCCCCCCCC(=O)CCSC(=O)C 1458a_100000048949_100000759014 [0,1,0,0,0,0|2,0,0]=3 485 B19R0.92 CCCCCCCCCCCCC(=O)NCCC(=O)N 11a_100000740010_100011215791 [0,1,0,0,0,0|2,0,0]=3 486 B19R0.92 CCCCCCCCCCCCC(=O)NCCC(=O)N 240690a_100000740010_100011215791 [0,1,0,0,0,0|2,0,0]=3 487 B19R0.92 CCCCCCCCCCCCC(=O)NCCC(C)O 240690a_200000755665_100011215791 [0,1,0,0,0,0|2,0,1]=4 488 B19R0.92 CCCCCCCCCCCNC(=O)CCCC(C)C 11a_200011215754_100011216857 [0,1,0,0,0,0|2,0,1]=4 489 B19R0.92 CCCCCCCCCCCNC(=O)CCCC(C)C 1626a_200011215754_100011216857 [0,1,0,0,0,0|2,0,1]=4 490 B19R0.92 CCCCCCCCCCCNC(=O)CCCC(C)C 240690a_200011215754_100011216857 [0,1,0,0,0,0|2,0,1]=4 491 B19R0.92 CCCCCCCCCCCNC(=O)CCCC(C)C 527a_200011215754_100011216857 [0,1,0,0,0,0|2,0,1]=4 492 B19R0.92 CCCCCCCCCCCNC(=O)CCCC(C)O 1626a_200011215754_100000761597 [0,1,0,0,0,0|1,0,1]=3 493 B19R0.92 CCCCCCCCCCCNC(=O)CCCC(C)O 527a_200011215754_100000761597 [0,1,0,0,0,0|1,0,1]=3 494 B19R0.92 CCCCCCCCCCCNC(=O)CCCN(C)C 11a_200011215754_100000740757 [0,1,0,0,0,0|3,0,0]=4 495 B19R0.92 CCCCCCCCCCCNC(=O)CCCN(C)C 240690a_200011215754_100000740757 [0,1,0,0,0,0|3,0,0]=4 496 B19R0.92 CCCCCCCCCCCNC(=O)CCC[N+](=O)[O-] 11a_200011215754_100016109205 [0,1,0,0,0,0|1,0,1]=3 497 B19R0.92 CCCCCCCCCCCNC(=O)CCC[N+](=O)[O-] 1626a_200011215754_100016109205 [0,1,0,0,0,0|1,0,1]=3 498 B19R0.92 CCCCCCCCCCCNC(=O)CCC[N+](=O)[O-] 240690a_200011215754_100016109205 [0,1,0,0,0,0|1,0,1]=3 499 B19R0.92 CCCCCCCCCCCNC(=O)CCC[N+](=O)[O-] 527a_200011215754_100016109205 [0,1,0,0,0,0|1,0,1]=3 500 B19R0.92 CCCCCCCCCCCNC(=O)CCN=C(N)N 240690a_200011215754_100000033030 [0,1,0,0,0,0|3,0,0]=4 501 B19R0.92 CCCCCCCCCCCNC(=O)CCNC(=O)C 11a_200011215754_100000183196 [0,1,0,0,0,0|2,0,0]=3 502 B19R0.92 CCCCCCCCCCCNC(=O)CCNC(=O)C 1626a_200011215754_100000183196 [0,1,0,0,0,0|2,0,0]=3 503 B19R0.92 CCCCCCCCCCCNC(=O)CCNC(=O)C 240690a_200011215754_100000183196 [0,1,0,0,0,0|2,0,0]=3 504 B19R0.92 CCCCCCCCCCCNC(=O)CCNC(=O)C 527a_200011215754_100000183196 [0,1,0,0,0,0|2,0,0]=3 505 B19R0.92 CCCCCCCCCCCNC(=O)CCNC(=O)N 240690a_200011215754_100000181464 [0,1,0,0,0,0|2,0,0]=3 506 B19R0.92 CCCCCCCCCCCNC(=O)CCNC(=O)N 527a_200011215754_100000181464 [0,1,0,0,0,0|2,0,0]=3 507 B19R0.92 CCCCCCCCCCCNC(=O)CCSC(=O)C 1626a_200011215754_100000048949 [0,1,0,0,0,0|2,0,0]=3 508 B19R0.92 CCCCCCCCCCCNC(=O)CCSC(=O)C 240690a_200011215754_100000048949 [0,1,0,0,0,0|2,0,0]=3 509 B19R0.92 CCCCCCCCCCCNC(=O)COCC(=O)N 1626a_200011215754_100011219004 [0,1,0,0,0,0|2,0,0]=3 510 B19R0.92 CCCCCCCCCCCNC(=O)COCC(=O)N 240690a_200011215754_100011219004 [0,1,0,0,0,0|2,0,0]=3 511 B19R0.92 CCCCCCCCCCCNC(=O)COCC(=O)N 527a_200011215754_100011219004 [0,1,0,0,0,0|2,0,0]=3 512 B19R0.92 CCCCCCCCCCCNC(=O)CSCC(=O)N 11a_200011215754_100000150265 [0,1,0,0,0,0|2,0,0]=3 513 B19R0.92 CCCCCCCCCCCNC(=O)CSCC(=O)N 240690a_200011215754_100000150265 [0,1,0,0,0,0|2,0,0]=3 514 B19R0.92 CCCCCCCCCCCNC(=O)CSCC(=O)N 527a_200011215754_100000150265 [0,1,0,0,0,0|2,0,0]=3 515 B19R0.92 CCCCCCCCCCCNC(=O)NCCC(=O)N 2708a_200011215754_100000740010 [0,1,0,0,0,0|2,0,0]=3 516 B19R0.92 CCCCCCCCCCCNC(=O)NCCC(=O)N 273464a_100000740010_200011215754 [0,1,0,0,0,0|2,0,0]=3 517 B19R0.92 CCCCCCCCCCCNC(=O)NCCC(=O)N 273464a_200011215754_100000740010 [0,1,0,0,0,0|2,0,0]=3 518 B19R0.92 CCCCCCCCCCCNC(=O)NCCC(=O)N 512a_200011215754_100000740010 [0,1,0,0,0,0|2,0,0]=3 519 B19R0.92 CCCCCCCCCCCNC(=O)NCCC(C)O 2708a_200011215754_200000755665 [0,1,0,0,0,0|2,0,1]=4 520 B19R0.92 CCCCCCCCCCCNC(=O)NCCC(C)O 273464a_200000755665_200011215754 [0,1,0,0,0,0|2,0,1]=4 521 B19R0.92 CCCCCCCCCCCNC(=O)NCCC(C)O 512a_200000755665_200011215754 [0,1,0,0,0,0|2,0,1]=4 522 B19R0.92 CCCCCCCCCCCNC(=O)NCCC(C)O 512a_200011215754_200000755665 [0,1,0,0,0,0|2,0,1]=4 523 B19R0.92 CCCCCCCCCCNCC(=O)NCCC(=O)N 2230a_200138414118_100000210320 [0,1,0,0,0,0|2,0,0]=3 524 B19R0.92 NC(=NCCC(=O)CCCCCCCCCCCO)N 1458a_100000033030_100009812471 [0,1,0,0,0,0|3,0,0]=4 525 B19R0.92 NC(=O)CCNC(=O)CCCCCCCCCCCO 240690a_100000740010_100000037981 [0,1,0,0,0,0|2,0,0]=3 526 B19R0.92 NC(=O)CCNC(=O)CNCCCCCCCCCO 2230a_200138414118_100009813782 [0,1,0,0,0,0|3,0,0]=4 527 B19R0.92 NC(=O)CCNC(=O)NCCCCCCCCCCO 2708a_100000066964_100000740010 [0,1,0,0,0,0|3,0,0]=4 528 B19R0.92 NC(=O)CCNC(=O)NCCCCCCCCCCO 273464a_100000066964_100000740010 [0,1,0,0,0,0|3,0,0]=4 529 B19R0.92 NC(=O)CCNC(=O)NCCCCCCCCCCO 273464a_100000740010_100000066964 [0,1,0,0,0,0|3,0,0]=4 530 B19R0.92 NC(=O)CCNC(=O)NCCCCCCCCCCO 512a_100000066964_100000740010 [0,1,0,0,0,0|3,0,0]=4 531 B19R0.92 NC(=O)COCC(=O)NCCCCCCCCCCO 240690a_100000066964_100011219004 [0,1,0,0,0,0|3,0,0]=4 532 B19R0.92 NC(=O)CSCC(=O)NCCCCCCCCCCO 240690a_100000066964_100000150265 [0,1,0,0,0,0|3,0,0]=4 533 B19R0.92 NC(=O)NCCC(=O)CCCCCCCCCCCO 1458a_100000181464_100009812471 [0,1,0,0,0,0|2,0,0]=3 534 B19R0.92 NC(=O)NCCC(=O)NCCCCCCCCCCO 240690a_100000066964_100000181464 [0,1,0,0,0,0|3,0,0]=4 535 B19R0.92 O=C(CCC[N+](=O)[O-])NCCCCCCCCCCO 240690a_100000066964_100016109205 [0,1,0,0,0,0|2,0,1]=4 536 B19R0.140 COC(=O)CCCCCCCCC(=O)CCCC(=O)C 1458a_100000036616_100011215641 [0,1,0,0,0,0|2,0,1]=4 537 B19R0.140 COC(=O)CCCCCCCCC(=O)CCCC(=O)N 1458a_100000036616_100102525003 [0,1,0,0,0,0|2,0,1]=4 538 B19R0.2990 CCCCCCCCCC(O)CC(=O)NCCC(=O)N 240690a_100000740010_200012339438 [0,1,0,0,0,0|2,0,0]=3 539 B19R0.2990 CCCCCCCCCC(O)CC(=O)NCCC(C)O 240690a_200000755665_200012339438 [0,1,0,0,0,0|2,0,1]=4 540 B19R0.9202 C#CC(=O)CCOC(=O)CCCCCCCCCCC 1458a_100000211873_100000091854 [0,1,0,0,0,0|2,0,0]=3 541 B19R0.9202 C=CC(=O)CCOC(=O)CCCCCCCCCCC 1458a_100000185746_100000091854 [0,1,0,0,0,0|2,0,0]=3 542 B19R0.9202 C=CC(=O)OCCC(=O)CCCCCCCCCCC 1458a_100000065099_100011215454 [0,1,0,0,0,0|2,0,0]=3 543 B19R0.9202 C=CC(=O)OCCC(=O)CCCCCCCCCCC 1458a_100000210736_100009813456 [0,1,0,0,0,0|2,0,0]=3 544 B19R0.9202 C=CC(=O)OCCC(=O)CCCCCCCCCCO 1458a_100000065099_100009813290 [0,1,0,0,0,0|3,0,0]=4 545 B19R0.9202 C=CC(=O)OCCC(=O)NCCCCCCCCCC 240690a_100000684558_100000065099 [0,1,0,0,0,0|3,0,0]=4 546 B19R0.9202 C=CCCCCCCCCCC(=O)CCCC(=O)OC 1458a_100000239890_100009814027 [0,1,0,0,0,0|0,0,2]=3 547 B19R0.9202 C=CCCCCCCCCCC(=O)CSCC(=O)OC 1458a_100000191316_100009814027 [0,1,0,0,0,0|1,0,2]=4 548 B19R0.9202 CCCCCCCCCC=CC(=O)CCCC(=O)NC 1458a_200015352897_100000741757 [0,1,0,0,0,0|1,0,2]=4 549 B19R0.9202 CCCCCCCCCC=CC(=O)CCCC(=O)OC 1458a_200015352897_100011218270 [0,1,0,0,0,0|0,0,2]=3 550 B19R0.9202 CCCCCCCCCC=CC(=O)NCCC(=O)OC 188690a_100000683876_200015352897 [0,1,0,0,0,0|1,0,2]=4 551 B19R0.9202 CCCCCCCCCCCC(=O)CCCC(=O)NC 1458a_100000210736_100000741757 [0,1,0,0,0,0|1,0,0]=2 552 B19R0.9202 CCCCCCCCCCCC(=O)CCCC(=O)OC 1458a_100000210736_100011218270 [0,1,0,0,0,0|0,0,0]=1 553 B19R0.9202 CCCCCCCCCCCC(=O)CCCC(=O)OC 1458a_100000239890_100011215454 [0,1,0,0,0,0|0,0,0]=1 554 B19R0.9202 CCCCCCCCCCCC(=O)CCOC(=O)NC 1458a_100000210736_200011997002 [0,1,0,0,0,0|2,0,0]=3 555 B19R0.9202 CCCCCCCCCCCC(=O)CSCC(=O)OC 1458a_100000191316_100011215454 [0,1,0,0,0,0|1,0,0]=2 556 B19R0.9202 CCCCCCCCCCCC(=O)NCCC(=O)NC 11a_100000738227_100000210736 [0,1,0,0,0,0|2,0,0]=3 557 B19R0.9202 CCCCCCCCCCCC(=O)NCCC(=O)NC 240690a_100000738227_100000210736 [0,1,0,0,0,0|2,0,0]=3 558 B19R0.9202 CCCCCCCCCCCC(=O)NCCC(=O)OC 188690a_100000683876_100000210736 [0,1,0,0,0,0|1,0,0]=2 559 B19R0.9202 CCCCCCCCCCCC(=O)NCCC(C)CO 240690a_106354213184_100000210736 [0,1,0,0,0,0|2,0,1]=4 560 B19R0.9202 CCCCCCCCCCCC(=O)NN=CC(=O)OC 4a_200011219152_200011823558 [0,1,0,0,0,0|2,0,1]=4 561 B19R0.9202 CCCCCCCCCCCC(=O)OCCC(=O)CC 1458a_100000210414_100000091854 [0,1,0,0,0,0|2,0,0]=3 562 B19R0.9202 CCCCCCCCCCCC(=O)OCCC(=O)CO 1458a_100000210174_100000091854 [0,1,0,0,0,0|1,0,0]=2 563 B19R0.9202 CCCCCCCCCCCC(C)OCCC(=O)OC 34a_100011217895_100000742370 [0,1,0,0,0,0|2,0,1]=4 564 B19R0.9202 CCCCCCCCCCCC(C)OCCC(=O)OC 7a_100011217895_100000204255 [0,1,0,0,0,0|2,0,1]=4 565 B19R0.9202 CCCCCCCCCCCN(C)CCCC(=O)OC 269982a_100000739225_100011215454 [0,1,0,0,0,0|2,0,0]=3 566 B19R0.9202 CCCCCCCCCCNC(=O)CCCC(=O)OC 11a_100000684558_100000239890 [0,1,0,0,0,0|1,0,0]=2 567 B19R0.9202 CCCCCCCCCCNC(=O)CCCC(=O)OC 1626a_100000684558_100000239890 [0,1,0,0,0,0|1,0,0]=2 568 B19R0.9202 CCCCCCCCCCNC(=O)CCCC(=O)OC 240690a_100000684558_100000239890 [0,1,0,0,0,0|1,0,0]=2 569 B19R0.9202 CCCCCCCCCCNC(=O)CCCC(=O)OC 527a_100000684558_100000239890 [0,1,0,0,0,0|1,0,0]=2 570 B19R0.9202 CCCCCCCCCCNC(=O)CCCN(C)N=O 11a_100000684558_200000076914 [0,1,0,0,0,0|3,0,0]=4 571 B19R0.9202 CCCCCCCCCCNC(=O)CCCN(C)N=O 1626a_100000684558_200000076914 [0,1,0,0,0,0|3,0,0]=4 572 B19R0.9202 CCCCCCCCCCNC(=O)CCCN(C)N=O 240690a_100000684558_200000076914 [0,1,0,0,0,0|3,0,0]=4 573 B19R0.9202 CCCCCCCCCCNC(=O)CCCN(C)N=O 527a_100000684558_200000076914 [0,1,0,0,0,0|3,0,0]=4 574 B19R0.9202 CCCCCCCCCCNC(=O)CSCC(=O)OC 11a_100000684558_100000191316 [0,1,0,0,0,0|2,0,0]=3 575 B19R0.9202 CCCCCCCCCCNC(=O)CSCC(=O)OC 1626a_100000684558_100000191316 [0,1,0,0,0,0|2,0,0]=3 576 B19R0.9202 CCCCCCCCCCNC(=O)CSCC(=O)OC 240690a_100000684558_100000191316 [0,1,0,0,0,0|2,0,0]=3 577 B19R0.9202 CCCCCCCCCCNC(=O)NCCC(=O)NC 2708a_100000684558_100000738227 [0,1,0,0,0,0|3,0,0]=4 578 B19R0.9202 CCCCCCCCCCNC(=O)NCCC(=O)NC 273464a_100000684558_100000738227 [0,1,0,0,0,0|3,0,0]=4 579 B19R0.9202 CCCCCCCCCCNC(=O)NCCC(=O)NC 273464a_100000738227_100000684558 [0,1,0,0,0,0|3,0,0]=4 580 B19R0.9202 CCCCCCCCCCNC(=O)NCCC(=O)NC 512a_100000684558_100000738227 [0,1,0,0,0,0|3,0,0]=4 581 B19R0.9202 CCCCCCCCCCNC(=O)NCCC(=O)NC 512a_100000738227_100000684558 [0,1,0,0,0,0|3,0,0]=4 582 B19R0.9202 CCCCCCCCCCOC(=O)CNCC(=O)NC 2230a_100000693194_100000210668 [0,1,0,0,0,0|3,0,0]=4 583 B19R0.9202 CCCCCCCCCCOC(=O)COCC(=O)CC 34a_100000725409_100000210668 [0,1,0,0,0,0|3,0,0]=4 584 B19R0.9202 CCCCCCCCCCOC(=O)COCC(=O)NC 34a_100000750040_100000210668 [0,1,0,0,0,0|3,0,0]=4 585 B19R0.9202 CCCCCCCCCCOC(=O)CSCC(=O)CC 62a_100000680656_100000747405 [0,1,0,0,0,0|3,0,0]=4 586 B19R0.9202 CCCCCCCCCCOC(=O)CSCC(=O)CC 62a_100000747405_100000680656 [0,1,0,0,0,0|3,0,0]=4 587 B19R0.9202 CCCCCCCCCCOC(=O)CSCC(=O)NC 62a_100000183359_100000680656 [0,1,0,0,0,0|3,0,0]=4 588 B19R0.9202 CCCCCCCCCCOC(=O)CSCC(=O)NC 62a_100000680656_100000183359 [0,1,0,0,0,0|3,0,0]=4 589 B19R0.9202 CCCCCCCCCCOC(=O)CSCC(=O)OC 62a_100000680656_100000747449 [0,1,0,0,0,0|2,0,0]=3 590 B19R0.9202 CCCCCCCCCCOC(=O)CSCC(=O)OC 62a_100000747449_100000680656 [0,1,0,0,0,0|2,0,0]=3 591 B19R0.9202 CCCCCCCCCNCC(=O)NCCC(=O)OC 2230a_100000212291_100000230212 [0,1,0,0,0,0|2,0,0]=3 592 B19R0.9202 CCCCCCCCCNCC(=O)NCCC(=O)OC 34a_100000212291_100000230212 [0,1,0,0,0,0|2,0,0]=3 593 B19R0.9202 CCCCCCCCCOCC(=O)NCCC(=O)OC 34a_100000210712_100000230212 [0,1,0,0,0,0|2,0,0]=3 594 B19R0.9202 CCCCCCCCCOCC(=O)NCCC(=O)OC 7a_100000210712_100000230212 [0,1,0,0,0,0|2,0,0]=3 595 B19R0.9202 CCCCCCCCCSCC(=O)NCCC(=O)OC 62a_100000230212_100000210670 [0,1,0,0,0,0|2,0,0]=3 596 B19R0.9202 CCCCCCOCCOCC(=O)NCCC(=O)OC 34a_100000691444_100000230212 [0,1,0,0,0,0|3,0,0]=4 597 B19R0.9202 CCCCCCOCCOCC(=O)NCCC(=O)OC 7a_100000691444_100000230212 [0,1,0,0,0,0|3,0,0]=4 598 B19R0.9202 CCCCNCCCCOCC(=O)NCCC(=O)OC 34a_200011216965_100000230212 [0,1,0,0,0,0|3,0,0]=4 599 B19R0.9202 CCCCOCCCCOCC(=O)NCCC(=O)OC 34a_200000760531_100000230212 [0,1,0,0,0,0|3,0,0]=4 600 B19R0.9202 CCCCOCCCCOCC(=O)NCCC(=O)OC 7a_200000760531_100000230212 [0,1,0,0,0,0|3,0,0]=4 601 B19R0.9202 CNC(=O)CCNC(=O)CCCCCCCCCCO 240690a_100000738227_200000016029 [0,1,0,0,0,0|3,0,0]=4 602 B19R0.9202 COC(=O)CCCC(=O)CCCCCCCCCCO 1458a_100000239890_100009813290 [0,1,0,0,0,0|1,0,0]=2 603 B19R0.9202 COC(=O)CCCC(=O)NCCCCCCCCCO 240690a_100000078944_100000239890 [0,1,0,0,0,0|2,0,0]=3 604 B19R0.9202 COC(=O)CCCN(C)CCCCCCCCCCO 269982a_100000739225_100009813290 [0,1,0,0,0,0|3,0,0]=4 605 B19R0.9202 COC(=O)CCNC(=O)CCCCCCCCCCO 188690a_100000683876_200000016029 [0,1,0,0,0,0|2,0,0]=3 606 B19R0.9202 COC(=O)CCNC(=O)CNCCCCCCCCO 2230a_102515433106_100000230212 [0,1,0,0,0,0|3,0,0]=4 607 B19R0.9202 COC(=O)CCNC(=O)CNCCCCCCCCO 34a_102515433106_100000230212 [0,1,0,0,0,0|3,0,0]=4 608 B19R0.9202 COC(=O)CCNC(=O)COCCCCCCCCBr 34a_100009813846_100000230212 [0,1,0,0,0,0|3,0,0]=4 609 B19R0.9202 COC(=O)CCNC(=O)COCCCCCCCCBr 7a_100009813846_100000230212 [0,1,0,0,0,0|3,0,0]=4 610 B19R0.9202 COC(=O)CCNC(=O)COCCCCCCCCCl 34a_100000033203_100000230212 [0,1,0,0,0,0|3,0,0]=4 611 B19R0.9202 COC(=O)CCNC(=O)COCCCCCCCCCl 7a_100000033203_100000230212 [0,1,0,0,0,0|3,0,0]=4 612 B19R0.9202 COC(=O)CCNC(=O)COCCCCCCCCN 34a_102515433106_100000230212 [0,1,0,0,0,0|3,0,0]=4 613 B19R0.9202 COC(=O)CCNC(=O)CSCCCCCCCCO 62a_100000033203_100000230212 [0,1,0,0,0,0|3,0,0]=4 614 B19R0.9202 COC(=O)CCNC(=O)CSCCCCCCCCO 62a_100000230212_100000033203 [0,1,0,0,0,0|3,0,0]=4 615 B19R0.9202 COC(=O)CSCC(=O)CCCCCCCCCCO 1458a_100000191316_100009813290 [0,1,0,0,0,0|2,0,0]=3 616 B19R0.9202 COC(=O)CSCC(=O)NCCCCCCCCCO 240690a_100000078944_100000191316 [0,1,0,0,0,0|3,0,0]=4 617 B19R0.9211 CCCCCCCCCCCC(=O)CCCS(=O)(=O)C 1458a_100000210736_100000754308 [0,1,0,0,0,0|1,0,1]=3 618 B19R0.9211 CCCCCCCCCCCC(=O)CCCS(=O)(=O)N 1458a_100000210736_100000750626 [0,1,0,0,0,0|1,0,1]=3 619 B19R0.9211 CCCCCCCCCCCC(=O)CCCS(=O)(=O)N 1458a_100000739357_100011215454 [0,1,0,0,0,0|1,0,1]=3 620 B19R0.9211 CCCCCCCCCCCC(=O)CCCS(=O)(=O)[O-] 1458a_100000210736_100009813499 [0,1,0,0,0,0|1,0,1]=3 621 B19R0.9211 CCCCCCCCCCCC(=O)CCC[N+](C)(C)C 1458a_100000085584_100011215454 [0,1,0,0,0,0|3,0,0]=4 622 B19R0.9211 CCCCCCCCCCCC(=O)CCC[N+](C)(C)C 1458a_100000210736_100016990835 [0,1,0,0,0,0|3,0,0]=4 623 B19R0.9211 CCCCCCCCCCCC(=O)CCNS(=O)(=O)C 1458a_100000165793_100011215454 [0,1,0,0,0,0|2,0,1]=4 624 B19R0.9211 CCCCCCCCCCCC(=O)CCNS(=O)(=O)C 1458a_100000210736_100000754112 [0,1,0,0,0,0|2,0,1]=4 625 B19R0.9211 CCCCCCCCCCCC(=O)CCOS(=O)(=O)C 1458a_100000210736_200000036756 [0,1,0,0,0,0|2,0,1]=4 626 B19R0.9211 CCCCCCCCCCCC(=O)NCCC(C)(C)O 1626a_100000707701_100000210736 [0,1,0,0,0,0|2,0,1]=4 627 B19R0.9211 CCCCCCCCCCCC(=O)NCCS(=O)(=O)C 11a_100000740961_100000210736 [0,1,0,0,0,0|2,0,1]=4 628 B19R0.9211 CCCCCCCCCCCC(=O)NCCS(=O)(=O)C 1626a_100000740961_100000210736 [0,1,0,0,0,0|2,0,1]=4 629 B19R0.9211 CCCCCCCCCCCC(=O)NCCS(=O)(=O)C 240690a_100000740961_100000210736 [0,1,0,0,0,0|2,0,1]=4 630 B19R0.9211 CCCCCCCCCCCC(=O)NCCS(=O)(=O)N 240690a_100000738205_100000210736 [0,1,0,0,0,0|2,0,1]=4 631 B19R0.9211 CCCCCCCCCCNC(=O)CCCS(=O)(=O)N 240690a_100000684558_100000739357 [0,1,0,0,0,0|2,0,1]=4 632 B19R0.9211 NS(=O)(=O)CCCC(=O)CCCCCCCCCCO 1458a_100000739357_100009813290 [0,1,0,0,0,0|2,0,1]=4 633 B19R0.14111 CC(=O)SC[C@@H](C)C(=O)CCCCCCCCCCO 1458a_200015407212_100009813290 [0,1,0,0,0,0|3,0,0]=4 634 B19R0.14111 CCCCCCCCCCCC(=O)N(C)CCC(=O)N 11a_100000730477_100000210736 [0,1,0,0,0,0|2,0,0]=3 635 B19R0.14111 CCCCCCCCCCCC(=O)N(C)CCC(=O)N 240690a_100000730477_100000210736 [0,1,0,0,0,0|2,0,0]=3 636 B19R0.14111 CCCCCCCCCCCC(=O)[C@H](C)CSC(=O)C 1458a_200015407212_100011215454 [0,1,0,0,0,0|2,0,0]=3 637 B19R0.14111 CCCCCCCCCCNC(=O)N(C)CCC(=O)N 2708a_100000684558_100000730477 [0,1,0,0,0,0|3,0,0]=4 638 B19R0.14111 CCCCCCCCCCNC(=O)N(C)CCC(=O)N 273464a_100000684558_100000730477 [0,1,0,0,0,0|3,0,0]=4 639 B19R0.14111 CCCCCCCCCCNC(=O)[C@H](C)CSC(=O)C 11a_100000684558_200015407212 [0,1,0,0,0,0|3,0,0]=4 640 B19R0.14111 CCCCCCCCCCNC(=O)[C@H](C)CSC(=O)C 1626a_100000684558_200015407212 [0,1,0,0,0,0|3,0,0]=4 641 B19R0.14111 CCCCCCCCCCNC(=O)[C@H](C)CSC(=O)C 240690a_100000684558_200015407212 [0,1,0,0,0,0|3,0,0]=4 642 B19R0.14111 CCCCCCCCCCNC(=O)[C@H](C)CSC(=O)C 527a_100000684558_200015407212 [0,1,0,0,0,0|3,0,0]=4 643 B19R0.14111 CN(CCC(=O)N)C(=O)CCCCCCCCCCO 240690a_100000730477_200000016029 [0,1,0,0,0,0|3,0,0]=4 644 B19R0.25649 CC(=O)N(C)CCC(=O)CCCCCCCCCCO 1458a_100011216537_100009813290 [0,1,0,0,0,0|3,0,0]=4 645 B19R0.25649 CCCCCCCCCCCC(=O)CCN(C)C(=O)C 1458a_100011216537_100011215454 [0,1,0,0,0,0|2,0,0]=3 646 B19R0.25649 CCCCCCCCCCNC(=O)CCN(C)C(=O)C 11a_100000684558_100011216537 [0,1,0,0,0,0|3,0,0]=4 647 B19R0.25649 CCCCCCCCCCNC(=O)CCN(C)C(=O)C 1626a_100000684558_100011216537 [0,1,0,0,0,0|3,0,0]=4 648 B19R0.25649 CCCCCCCCCCNC(=O)CCN(C)C(=O)C 240690a_100000684558_100011216537 [0,1,0,0,0,0|3,0,0]=4 649 B19R0.25649 CCCCCCCCCCOC(=O)CN[C@@H](C)C(=O)O 269956a_100000743915_100000210668 [0,1,0,0,0,0|2,0,0]=3 650 B19R0.25649 CCCCCCCCCCOC(=O)CN[C@H](C)C(=O)N 2230a_100000119354_100000210668 [0,1,0,0,0,0|3,0,0]=4 651 B19R0.25649 CCCCCCCCCCOC(=O)CN[C@H](C)C(=O)N 34a_100000119354_100000210668 [0,1,0,0,0,0|3,0,0]=4 652 B19R0.25649 CCCCCCCCCCOC(=O)COC(C)C(=O)C 34a_100000212229_100000210668 [0,1,0,0,0,0|3,0,0]=4 653 B19R0.25649 CCCCCCCCCCOC(=O)CO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210668 [0,1,0,0,0,0|2,0,1]=4 654 B19R0.25649 CCCCCCCCCCOC(=O)CO[C@H](C)C(=O)N 34a_100000731257_100000210668 [0,1,0,0,0,0|3,0,0]=4 655 B19R0.25649 CCCCCCCCCCOC(=O)CO[C@H](C)C(=O)N 7a_100000731257_100000210668 [0,1,0,0,0,0|3,0,0]=4 656 B19R0.25649 CCCCCCCCCCOC(=O)CSC(C)C(=O)C 62a_100000680656_100009814033 [0,1,0,0,0,0|3,0,0]=4 657 B19R0.25649 CCCCCCCCCCOC(=O)CSC(C)C(=O)C 62a_100009814033_100000680656 [0,1,0,0,0,0|3,0,0]=4 658 B19R0.25649 CCCCCCCCCCOC(=O)CSC(C)C(=O)N 62a_100000680656_100000702099 [0,1,0,0,0,0|3,0,0]=4 659 B19R0.25649 CCCCCCCCCCOC(=O)CSC(C)C(=O)N 62a_100000702099_100000680656 [0,1,0,0,0,0|3,0,0]=4 660 B19R0.25649 CCCCCCCCCCOC(=O)CSC(F)C(=O)N 62a_100000680656_100009813875 [0,1,0,0,0,0|3,0,0]=4 661 B19R0.25649 CCCCCCCCCCOC(=O)CSC(F)C(=O)N 62a_100009813875_100000680656 [0,1,0,0,0,0|3,0,0]=4 662 B19R0.25649 CCCCCCCCCCOC(=O)CSC(F)C(=O)[O-] 62a_100000680656_100020610796 [0,1,0,0,0,0|2,0,1]=4 663 B19R0.25649 CCCCCCCCCCOC(=O)CSC(F)C(=O)[O-] 62a_100020610796_100000680656 [0,1,0,0,0,0|2,0,1]=4 664 B19R0.25655 CCCCCCCCCCN(C)C(=O)CCCC(C)O 1626a_100000207566_100000761597 [0,1,0,0,0,0|2,0,1]=4 665 B19R0.25655 CCCCCCCCCCN(C)C(=O)CCCC(C)O 527a_100000207566_100000761597 [0,1,0,0,0,0|2,0,1]=4 666 B19R0.25655 CCCCCCCCCCN(C)C(=O)CCC[N+](=O)[O-] 11a_100000207566_100016109205 [0,1,0,0,0,0|2,0,1]=4 667 B19R0.25655 CCCCCCCCCCN(C)C(=O)CCC[N+](=O)[O-] 1626a_100000207566_100016109205 [0,1,0,0,0,0|2,0,1]=4 668 B19R0.25655 CCCCCCCCCCN(C)C(=O)CCC[N+](=O)[O-] 240690a_100000207566_100016109205 [0,1,0,0,0,0|2,0,1]=4 669 B19R0.25655 CCCCCCCCCCN(C)C(=O)CCC[N+](=O)[O-] 527a_100000207566_100016109205 [0,1,0,0,0,0|2,0,1]=4 670 B19R0.25655 CCCCCCCCCCN(C)C(=O)CCNC(=O)C 11a_100000207566_100000183196 [0,1,0,0,0,0|3,0,0]=4 671 B19R0.25655 CCCCCCCCCCN(C)C(=O)CCNC(=O)C 1626a_100000207566_100000183196 [0,1,0,0,0,0|3,0,0]=4 672 B19R0.25655 CCCCCCCCCCN(C)C(=O)CCNC(=O)C 240690a_100000207566_100000183196 [0,1,0,0,0,0|3,0,0]=4 673 B19R0.25655 CCCCCCCCCCN(C)C(=O)CCNC(=O)C 527a_100000207566_100000183196 [0,1,0,0,0,0|3,0,0]=4 674 B19R0.25655 CCCCCCCCCCN(C)C(=O)CCNC(=O)N 240690a_100000207566_100000181464 [0,1,0,0,0,0|3,0,0]=4 675 B19R0.25655 CCCCCCCCCCN(C)C(=O)CCNC(=O)N 527a_100000207566_100000181464 [0,1,0,0,0,0|3,0,0]=4 676 B19R0.25655 CCCCCCCCCCN(C)C(=O)CCSC(=O)C 1626a_100000207566_100000048949 [0,1,0,0,0,0|3,0,0]=4 677 B19R0.25655 CCCCCCCCCCN(C)C(=O)CCSC(=O)C 240690a_100000207566_100000048949 [0,1,0,0,0,0|3,0,0]=4 678 B19R0.25655 CCCCCCCCCCN(C)C(=O)COCC(=O)N 1626a_100000207566_100011219004 [0,1,0,0,0,0|3,0,0]=4 679 B19R0.25655 CCCCCCCCCCN(C)C(=O)COCC(=O)N 240690a_100000207566_100011219004 [0,1,0,0,0,0|3,0,0]=4 680 B19R0.25655 CCCCCCCCCCN(C)C(=O)COCC(=O)N 527a_100000207566_100011219004 [0,1,0,0,0,0|3,0,0]=4 681 B19R0.25655 CCCCCCCCCCN(C)C(=O)CSCC(=O)N 11a_100000207566_100000150265 [0,1,0,0,0,0|3,0,0]=4 682 B19R0.25655 CCCCCCCCCCN(C)C(=O)CSCC(=O)N 240690a_100000207566_100000150265 [0,1,0,0,0,0|3,0,0]=4 683 B19R0.25655 CCCCCCCCCCN(C)C(=O)CSCC(=O)N 527a_100000207566_100000150265 [0,1,0,0,0,0|3,0,0]=4 684 B19R0.25655 CCCCCCCCCCN(C)C(=O)NCCC(=O)N 273464a_100000740010_100000207566 [0,1,0,0,0,0|3,0,0]=4 685 B19R1.1007 C=CCCCCCCCCCC(=O)C1CCC(=O)N1 1458a_100000210400_100009814027 [0,0,0,1,0,0|1,0,2]=4 686 B19R1.1007 C=CCCCCCCCCCC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_100009814027 [0,0,0,1,0,0|0,0,2]=3 687 B19R1.1007 CCCCCCCCCCCC(=O)C1CCC(=O)N1 1458a_100000210400_100011215454 [0,0,0,1,0,0|1,0,0]=2 688 B19R1.1007 CCCCCCCCCCCC(=O)C1CCC(C1)O 1458a_100000688591_100011215454 [0,0,0,1,0,0|1,0,1]=3 689 B19R1.1007 CCCCCCCCCCCC(=O)C1CCN(C1)C 1458a_100000739633_100011215454 [0,0,0,1,0,0|3,0,0]=4 690 B19R1.1007 CCCCCCCCCCCC(=O)C1CNC(=O)C1 1458a_100000747279_100011215454 [0,0,0,1,0,0|2,0,0]=3 691 B19R1.1007 CCCCCCCCCCCC(=O)C1CNC(=O)N1 1458a_100000033324_100011215454 [0,0,0,1,0,0|2,0,0]=3 692 B19R1.1007 CCCCCCCCCCCC(=O)C1CSC(=N1)N 1458a_100000002200_100011215454 [0,0,0,1,0,0|3,0,0]=4 693 B19R1.1007 CCCCCCCCCCCC(=O)N1CCC(C1)O 240690a_100011215560_100000210736 [0,0,0,1,0,0|2,0,1]=4 694 B19R1.1007 CCCCCCCCCCCC(=O)N1CNC(=O)C1 11a_200000708111_100000210736 [0,0,0,1,0,0|3,0,0]=4 695 B19R1.1007 CCCCCCCCCCCC(=O)N1CNC(=O)C1 1626a_200000708111_100000210736 [0,0,0,1,0,0|3,0,0]=4 696 B19R1.1007 CCCCCCCCCCCC(=O)N1CNC(=O)C1 240690a_200000708111_100000210736 [0,0,0,1,0,0|3,0,0]=4 697 B19R1.1007 CCCCCCCCCCCC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_100011215454 [0,0,0,1,0,0|0,0,0]=1 698 B19R1.1007 CCCCCCCCCCCC(=O)[C@@H]1CSC(=O)N1 1458a_100000735014_100011215454 [0,0,0,1,0,0|2,0,0]=3 699 B19R1.1007 CCCCCCCCCCNC(=O)C1CCC(=O)N1 240690a_100000684558_100000210400 [0,0,0,1,0,0|2,0,0]=3 700 B19R1.1007 CCCCCCCCCCNC(=O)C1CCC(C1)O 1626a_100000684558_100000688591 [0,0,0,1,0,0|2,0,1]=4 701 B19R1.1007 CCCCCCCCCCNC(=O)C1CCC(C1)O 240690a_100000684558_100000688591 [0,0,0,1,0,0|2,0,1]=4 702 B19R1.1007 CCCCCCCCCCNC(=O)C1CNC(=O)C1 11a_100000684558_100000747279 [0,0,0,1,0,0|3,0,0]=4 703 B19R1.1007 CCCCCCCCCCNC(=O)C1CNC(=O)C1 1626a_100000684558_100000747279 [0,0,0,1,0,0|3,0,0]=4 704 B19R1.1007 CCCCCCCCCCNC(=O)C1CNC(=O)C1 240690a_100000684558_100000747279 [0,0,0,1,0,0|3,0,0]=4 705 B19R1.1007 CCCCCCCCCCNC(=O)C1CNC(=O)C1 527a_100000684558_100000747279 [0,0,0,1,0,0|3,0,0]=4 706 B19R1.1007 CCCCCCCCCCNC(=O)C1CNC(=O)N1 11a_100000684558_100000033324 [0,0,0,1,0,0|3,0,0]=4 707 B19R1.1007 CCCCCCCCCCNC(=O)C1CNC(=O)N1 240690a_100000684558_100000033324 [0,0,0,1,0,0|3,0,0]=4 708 B19R1.1007 CCCCCCCCCCNC(=O)[C@@H]1CCC(=O)O1 11a_100000684558_100009814974 [0,0,0,1,0,0|1,0,0]=2 709 B19R1.1007 CCCCCCCCCCNC(=O)[C@@H]1CCC(=O)O1 1626a_100000684558_100009814974 [0,0,0,1,0,0|1,0,0]=2 710 B19R1.1007 CCCCCCCCCCNC(=O)[C@@H]1CCC(=O)O1 240690a_100000684558_100009814974 [0,0,0,1,0,0|1,0,0]=2 711 B19R1.1007 CCCCCCCCCCNC(=O)[C@@H]1CCC(=O)O1 527a_100000684558_100009814974 [0,0,0,1,0,0|1,0,0]=2 712 B19R1.1007 CCCCCCCCCCNC(=O)[C@@H]1CSC(=O)N1 240690a_100000684558_100000735014 [0,0,0,1,0,0|3,0,0]=4 713 B19R1.1007 O=C(CCCCCCCCCCO)C1CCC(C1)O 1458a_100000688591_100009813290 [0,0,0,1,0,0|2,0,1]=4 714 B19R1.1007 O=C1CC(CN1)C(=O)CCCCCCCCCCO 1458a_100000747279_100009813290 [0,0,0,1,0,0|3,0,0]=4 715 B19R1.1007 O=C1CCC(N1)C(=O)CCCCCCCCCCO 1458a_100000210400_100009813290 [0,0,0,1,0,0|2,0,0]=3 716 B19R1.1007 O=C1CCC(N1)C(=O)NCCCCCCCCCO 240690a_100000078944_100000210400 [0,0,0,1,0,0|3,0,0]=4 717 B19R1.1007 O=C1CC[C@H](O1)C(=O)CCCCCCCCCCO 1458a_100009814974_100009813290 [0,0,0,1,0,0|1,0,0]=2 718 B19R1.1007 O=C1CC[C@H](O1)C(=O)NCCCCCCCCCO 240690a_100000078944_100009814974 [0,0,0,1,0,0|2,0,0]=3 719 B19R1.1007 O=C1NCC(N1)C(=O)CCCCCCCCCCO 1458a_100000033324_100009813290 [0,0,0,1,0,0|3,0,0]=4 720 B19R1.1007 O=C1N[C@@H](CS1)C(=O)CCCCCCCCCCO 1458a_100000735014_100009813290 [0,0,0,1,0,0|3,0,0]=4 721 B19R1.5144 CCCCCCCCCN1CC(CCC1C(=O)O)O 269956a_100000089875_100000210670 [0,0,0,1,0,0|1,0,2]=4 722 B19R1.10598 CC1CCCCC1OCCNC(=O)CNCC(=O)O 269956a_100016091260_100000048872 [0,0,0,1,0,0|3,0,0]=4 723 B19R1.15484 CCCCCCCCCCCN1CC(C1)CC(=O)O 269956a_100016993960_100011215454 [0,0,0,1,0,0|2,0,0]=3 724 B19R1.15484 O=C(O)CC1CN(C1)CCCCCCCCCCO 269956a_100016993960_100009813290 [0,0,0,1,0,0|3,0,0]=4 725 B19R1.15489 CCCCCCCCCCCN1CCC(C1)C(=O)N 2230a_100000752358_100011215454 [0,0,0,1,0,0|3,0,0]=4 726 B19R1.15489 CCCCCCCCCCCN1CCC(C1)C(=O)N 269982a_100000752358_100011215454 [0,0,0,1,0,0|3,0,0]=4 727 B19R1.15489 CCCCCCCCCCCN1CCC(C1)C(=O)N 34a_100000752358_100011215454 [0,0,0,1,0,0|3,0,0]=4 728 B19R1.15489 CCCCCCCCCCN[C@H]1CC[C@H](C1)C(=O)O 269956a_100015195206_100000210320 [0,0,0,1,0,0|2,0,1]=4 729 B19R1.26149 CC(=O)CCCC(=O)CCCCCN1CCCCC1 1458a_100012051570_100011215641 [0,0,0,1,0,0|2,0,0]=3 730 B19R1.26149 CC(=O)CCCC(=O)CCCCCN1CCOCC1 1458a_100012051560_100011215641 [0,0,0,1,0,0|3,0,0]=4 731 B19R1.26149 CC(=O)NCCC(=O)CCCCCN1CCCCC1 1458a_100012051570_100000189650 [0,0,0,1,0,0|3,0,0]=4 732 B19R1.26149 CC(=O)OCCC(=O)CCCCCN1CCCCC1 1458a_100012051570_100009814007 [0,0,0,1,0,0|3,0,0]=4 733 B19R1.26149 CC(O)CCCC(=O)CCCCCN1CCCCC1 1458a_100012051570_200000718107 [0,0,0,1,0,0|2,0,1]=4 734 B19R1.26149 NC(=O)CCCC(=O)CCCCCN1CCCCC1 1458a_100012051570_100102525003 [0,0,0,1,0,0|2,0,0]=3 735 B19R1.26149 NC(=O)CCCC(=O)CCCCCN1CCOCC1 1458a_100012051560_100102525003 [0,0,0,1,0,0|3,0,0]=4 736 B19R1.26149 NC(=O)CCNC(=O)CCCCCN1CCCCC1 11a_100000740010_100012051570 [0,0,0,1,0,0|3,0,0]=4 737 B19R1.26149 NC(=O)CCNC(=O)CCCCCN1CCCCC1 240690a_100000740010_100012051570 [0,0,0,1,0,0|3,0,0]=4 738 B19R1.26149 NC(=O)CCNC(=O)CNCCCC1CCCCC1 2230a_200138414118_100011713725 [0,0,0,1,0,0|3,0,0]=4 739 B19R1.26149 NC(=O)NCCC(=O)CCCCCN1CCCCC1 1458a_100012051570_200000034859 [0,0,0,1,0,0|3,0,0]=4 740 B19R1.26149 NC(=O)OCCC(=O)CCCCCN1CCCCC1 1458a_100012051570_200011214921 [0,0,0,1,0,0|3,0,0]=4 741 B19R1.26149 O=C(O)CNCC(=O)NCCCOC1CCCCC1 269956a_100016091260_100000742070 [0,0,0,1,0,0|3,0,0]=4 742 B19R1.55077 C=C1CC(C1)NC(=O)CCCCCCCCCCC 11a_100132301982_100000210736 [0,0,0,1,0,0|3,0,0]=4 743 B19R1.55077 C=C1CC(C1)NC(=O)CCCCCCCCCCC 1626a_100132301982_100000210736 [0,0,0,1,0,0|3,0,0]=4 744 B19R1.55077 CCCCCCCCCC=CC(=O)CC1CC(=O)C1 1458a_200015352897_100009874392 [0,0,0,1,0,0|1,0,2]=4 745 B19R1.55077 CCCCCCCCCCCC(=O)CC1CC(=O)C1 1458a_100000210736_100009874392 [0,0,0,1,0,0|1,0,0]=2 746 B19R1.55077 CCCCCCCCCCCC(=O)N[C@H]1C[C@@H](C1)O 11a_100020629032_100000210736 [0,0,0,1,0,0|2,0,1]=4 747 B19R1.55077 CCCCCCCCCCCC(=O)N[C@H]1C[C@@H](C1)O 1626a_100020629032_100000210736 [0,0,0,1,0,0|2,0,1]=4 748 B19R1.55077 CCCCCCCCCCCC(=O)N[C@H]1C[C@@H](C1)O 240690a_100020629032_100000210736 [0,0,0,1,0,0|2,0,1]=4 749 B19R1.55079 CCCCCCCCCCCC(=O)CCCC1CO1 1458a_100000210736_100000733510 [0,0,0,1,0,0|1,0,1]=3 750 B19R1.437254 CC(=O)NCCC(=O)NCCC1CCCCCCC1 11a_100011532352_100000183196 [0,0,0,1,0,0|3,0,0]=4 751 B19R1.437254 CC(=O)NCCC(=O)NCCC1CCCCCCC1 1626a_100011532352_100000183196 [0,0,0,1,0,0|3,0,0]=4 752 B19R1.437254 CC(=O)NCCC(=O)NCCC1CCCCCCC1 240690a_100011532352_100000183196 [0,0,0,1,0,0|3,0,0]=4 753 B19R1.437254 CC(=O)NCCC(=O)NCCC1CCCCCCC1 527a_100011532352_100000183196 [0,0,0,1,0,0|3,0,0]=4 754 B19R1.437254 CC(=O)SCCC(=O)NCCC1CCCCCCC1 1626a_100011532352_100000048949 [0,0,0,1,0,0|3,0,0]=4 755 B19R1.437254 CC(=O)SCCC(=O)NCCC1CCCCCCC1 240690a_100011532352_100000048949 [0,0,0,1,0,0|3,0,0]=4 756 B19R1.437254 CC(O)CCCC(=O)NCCC1CCCCCCC1 1626a_100011532352_100000761597 [0,0,0,1,0,0|2,0,1]=4 757 B19R1.437254 CC(O)CCCC(=O)NCCC1CCCCCCC1 527a_100011532352_100000761597 [0,0,0,1,0,0|2,0,1]=4 758 B19R1.437254 NC(=O)CCNC(=O)NCCC1CCCCCCC1 2708a_100011532352_100000740010 [0,0,0,1,0,0|3,0,0]=4 759 B19R1.437254 NC(=O)CCNC(=O)NCCC1CCCCCCC1 273464a_100000740010_100011532352 [0,0,0,1,0,0|3,0,0]=4 760 B19R1.437254 NC(=O)CCNC(=O)NCCC1CCCCCCC1 273464a_100011532352_100000740010 [0,0,0,1,0,0|3,0,0]=4 761 B19R1.437254 NC(=O)COCC(=O)NCCC1CCCCCCC1 1626a_100011532352_100011219004 [0,0,0,1,0,0|3,0,0]=4 762 B19R1.437254 NC(=O)COCC(=O)NCCC1CCCCCCC1 240690a_100011532352_100011219004 [0,0,0,1,0,0|3,0,0]=4 763 B19R1.437254 NC(=O)COCC(=O)NCCC1CCCCCCC1 527a_100011532352_100011219004 [0,0,0,1,0,0|3,0,0]=4 764 B19R1.437254 NC(=O)CSCC(=O)NCCC1CCCCCCC1 11a_100011532352_100000150265 [0,0,0,1,0,0|3,0,0]=4 765 B19R1.437254 NC(=O)CSCC(=O)NCCC1CCCCCCC1 240690a_100011532352_100000150265 [0,0,0,1,0,0|3,0,0]=4 766 B19R1.437254 NC(=O)CSCC(=O)NCCC1CCCCCCC1 527a_100011532352_100000150265 [0,0,0,1,0,0|3,0,0]=4 767 B19R1.437254 NC(=O)NCCC(=O)NCCC1CCCCCCC1 240690a_100011532352_100000181464 [0,0,0,1,0,0|3,0,0]=4 768 B19R1.437254 NC(=O)NCCC(=O)NCCC1CCCCCCC1 527a_100011532352_100000181464 [0,0,0,1,0,0|3,0,0]=4 769 B19R1.437254 O=C(CCC[N+](=O)[O-])NCCC1CCCCCCC1 11a_100011532352_100016109205 [0,0,0,1,0,0|2,0,1]=4 770 B19R1.437254 O=C(CCC[N+](=O)[O-])NCCC1CCCCCCC1 1626a_100011532352_100016109205 [0,0,0,1,0,0|2,0,1]=4 771 B19R1.437254 O=C(CCC[N+](=O)[O-])NCCC1CCCCCCC1 240690a_100011532352_100016109205 [0,0,0,1,0,0|2,0,1]=4 772 B19R1.437254 O=C(CCC[N+](=O)[O-])NCCC1CCCCCCC1 527a_100011532352_100016109205 [0,0,0,1,0,0|2,0,1]=4 773 B19R1.499308 CCCCCCCCCCCC(=O)CC1CC1(F)F 1458a_100000138109_100011215454 [0,0,0,1,0,0|2,0,1]=4 774 B19R1.499308 CCCCCCCCCCCC(=O)CC1CC1(F)F 1458a_100000210736_100009817841 [0,0,0,1,0,0|2,0,1]=4 775 B17R0.192 C=C(C)CCC(=O)CCCCCCCCCCC 1458a_100000210736_100000730704 [0,0,0,0,1,0|2,0,0]=3 776 B17R0.192 C=C(C)CCC(=O)CCCCCCCCCCC 1458a_200000688413_100011215454 [0,0,0,0,1,0|2,0,0]=3 777 B17R0.192 C=C(C)CCC(=O)CCCCCCCCCCO 1458a_200000688413_100009813290 [0,0,0,0,1,0|3,0,0]=4 778 B17R0.192 C=C(C)CCC(=O)NCCCCCCCCCC 11a_100000684558_200000688413 [0,0,0,0,1,0|3,0,0]=4 779 B17R0.192 C=C(C)CCC(=O)NCCCCCCCCCC 1626a_100000684558_200000688413 [0,0,0,0,1,0|3,0,0]=4 780 B17R0.192 C=C(C)CCC(=O)NCCCCCCCCCC 240690a_100000684558_200000688413 [0,0,0,0,1,0|3,0,0]=4 781 B17R0.192 C=C(C)CCC(=O)NCCCCCCCCCC 527a_100000684558_200000688413 [0,0,0,0,1,0|3,0,0]=4 782 B17R0.192 C=C(C)CNC(=O)CCCCCCCCCCC 11a_100000765925_100000210736 [0,0,0,0,1,0|3,0,0]=4 783 B17R0.192 C=C(C)CNC(=O)CCCCCCCCCCC 1626a_100000765925_100000210736 [0,0,0,0,1,0|3,0,0]=4 784 B17R0.192 C=C(C)CNC(=O)CCCCCCCCCCC 240690a_100000765925_100000210736 [0,0,0,0,1,0|3,0,0]=4 785 B17R0.192 C=CCCCCCCCCCC(=O)CCC(=O)N 1458a_100011215257_100009814027 [0,0,0,0,1,0|1,0,2]=4 786 B17R0.192 CC(=O)NCC(=O)CCCCCCCCCCO 1458a_100000194580_100009813290 [0,0,0,0,1,0|3,0,0]=4 787 B17R0.192 CC(=O)OCC(=O)CCCCCCCCCCO 1458a_100000183556_100009813290 [0,0,0,0,1,0|3,0,0]=4 788 B17R0.192 CC(=O)SCC(=O)CCCCCCCCCCO 1458a_100000049016_100009813290 [0,0,0,0,1,0|3,0,0]=4 789 B17R0.192 CCCCCCCCCCCC(=O)CC=C(C)C 1458a_100000210736_100000761012 [0,0,0,0,1,0|2,0,1]=4 790 B17R0.192 CCCCCCCCCCCC(=O)CC=C(C)C 1458a_100011220947_100011215454 [0,0,0,0,1,0|2,0,1]=4 791 B17R0.192 CCCCCCCCCCCC(=O)CCC(=O)N 1458a_100011215257_100011215454 [0,0,0,0,1,0|1,0,0]=2 792 B17R0.192 CCCCCCCCCCCC(=O)CCC(C)C 1458a_100000181311_100011215454 [0,0,0,0,1,0|2,0,1]=4 793 B17R0.192 CCCCCCCCCCCC(=O)CCC(C)C 1458a_100000210736_100000210312 [0,0,0,0,1,0|2,0,1]=4 794 B17R0.192 CCCCCCCCCCCC(=O)CCC(C)O 1458a_100000210736_100012276601 [0,0,0,0,1,0|1,0,1]=3 795 B17R0.192 CCCCCCCCCCCC(=O)CC[N+](=O)[O-] 1458a_200000064761_100011215454 [0,0,0,0,1,0|1,0,1]=3 796 B17R0.192 CCCCCCCCCCCC(=O)CC[S+](C)C 1458a_100009452791_100011215454 [0,0,0,0,1,0|3,0,0]=4 797 B17R0.192 CCCCCCCCCCCC(=O)CNC(=O)C 1458a_100000194580_100011215454 [0,0,0,0,1,0|2,0,0]=3 798 B17R0.192 CCCCCCCCCCCC(=O)CNC(=O)N 1458a_100000184981_100011215454 [0,0,0,0,1,0|2,0,0]=3 799 B17R0.192 CCCCCCCCCCCC(=O)COC(=O)C 1458a_100000183556_100011215454 [0,0,0,0,1,0|2,0,0]=3 800 B17R0.192 CCCCCCCCCCCC(=O)CSC(=O)C 1458a_100000049016_100011215454 [0,0,0,0,1,0|2,0,0]=3 801 B17R0.192 CCCCCCCCCCCC(=O)NCC(=O)C 1458a_100001278556_200000210301 [0,0,0,0,1,0|2,0,0]=3 802 B17R0.192 CCCCCCCCCCCC(=O)NCC(=O)N 11a_100000711301_100000210736 [0,0,0,0,1,0|2,0,0]=3 803 B17R0.192 CCCCCCCCCCCC(=O)NCC(=O)N 240690a_100000711301_100000210736 [0,0,0,0,1,0|2,0,0]=3 804 B17R0.192 CCCCCCCCCCCC(=O)NCC(=O)[13CH3] 1458a_100001278556_200025704644 [0,0,0,0,1,0|2,0,0]=3 805 B17R0.192 CCCCCCCCCCCC(=O)NCC(C)O 11a_100000210904_100000210736 [0,0,0,0,1,0|2,0,1]=4 806 B17R0.192 CCCCCCCCCCCC(=O)NCC(C)O 240690a_100000210904_100000210736 [0,0,0,0,1,0|2,0,1]=4 807 B17R0.192 CCCCCCCCCCCC(=O)NNC(=O)C 22a_100000189765_100000210736 [0,0,0,0,1,0|3,0,0]=4 808 B17R0.192 CCCCCCCCCCCC(=O)OCC(=O)C 1458a_100000070787_100020644155 [0,0,0,0,1,0|2,0,0]=3 809 B17R0.192 CCCCCCCCCCCN(C)CCC(=O)N 2230a_100000730477_100011215454 [0,0,0,0,1,0|3,0,0]=4 810 B17R0.192 CCCCCCCCCCNC(=O)CCC(=O)N 240690a_100000684558_100011215257 [0,0,0,0,1,0|2,0,0]=3 811 B17R0.192 CCCCCCCCCCNC(=O)CCC(=O)N 527a_100000684558_100011215257 [0,0,0,0,1,0|2,0,0]=3 812 B17R0.192 CCCCCCCCCCNC(=O)CCC(C)O 1626a_100000684558_100000718519 [0,0,0,0,1,0|2,0,1]=4 813 B17R0.192 CCCCCCCCCCNC(=O)CC[N+](=O)[O-] 11a_100000684558_200000064761 [0,0,0,0,1,0|2,0,1]=4 814 B17R0.192 CCCCCCCCCCNC(=O)CC[N+](=O)[O-] 1626a_100000684558_200000064761 [0,0,0,0,1,0|2,0,1]=4 815 B17R0.192 CCCCCCCCCCNC(=O)CC[N+](=O)[O-] 240690a_100000684558_200000064761 [0,0,0,0,1,0|2,0,1]=4 816 B17R0.192 CCCCCCCCCCNC(=O)CNC(=O)C 11a_100000684558_100000194580 [0,0,0,0,1,0|3,0,0]=4 817 B17R0.192 CCCCCCCCCCNC(=O)CNC(=O)C 1626a_100000684558_100000194580 [0,0,0,0,1,0|3,0,0]=4 818 B17R0.192 CCCCCCCCCCNC(=O)CNC(=O)C 240690a_100000684558_100000194580 [0,0,0,0,1,0|3,0,0]=4 819 B17R0.192 CCCCCCCCCCNC(=O)CNC(=O)C 527a_100000684558_100000194580 [0,0,0,0,1,0|3,0,0]=4 820 B17R0.192 CCCCCCCCCCNC(=O)CNC(=O)N 240690a_100000684558_100000184981 [0,0,0,0,1,0|3,0,0]=4 821 B17R0.192 CCCCCCCCCCNC(=O)CNC(=O)N 527a_100000684558_100000184981 [0,0,0,0,1,0|3,0,0]=4 822 B17R0.192 CCCCCCCCCCNC(=O)COC(=O)C 1626a_100000684558_100000183556 [0,0,0,0,1,0|3,0,0]=4 823 B17R0.192 CCCCCCCCCCNC(=O)COC(=O)C 240690a_100000684558_100000183556 [0,0,0,0,1,0|3,0,0]=4 824 B17R0.192 CCCCCCCCCCNC(=O)COC(=O)C 527a_100000684558_100000183556 [0,0,0,0,1,0|3,0,0]=4 825 B17R0.192 CCCCCCCCCCNC(=O)CSC(=O)C 11a_100000684558_100000049016 [0,0,0,0,1,0|3,0,0]=4 826 B17R0.192 CCCCCCCCCCNC(=O)CSC(=O)C 1626a_100000684558_100000049016 [0,0,0,0,1,0|3,0,0]=4 827 B17R0.192 CCCCCCCCCCNC(=O)CSC(=O)C 240690a_100000684558_100000049016 [0,0,0,0,1,0|3,0,0]=4 828 B17R0.192 CCCCCCCCCCNC(=O)CSC(=O)N 240690a_100000684558_200015941356 [0,0,0,0,1,0|3,0,0]=4 829 B17R0.192 CCCCCCCCCCNC(=O)NCC(=O)N 2708a_100000684558_100000711301 [0,0,0,0,1,0|3,0,0]=4 830 B17R0.192 CCCCCCCCCCNC(=O)NCC(=O)N 273464a_100000684558_100000711301 [0,0,0,0,1,0|3,0,0]=4 831 B17R0.192 CCCCCCCCCCNC(=O)NCC(=O)N 273464a_100000711301_100000684558 [0,0,0,0,1,0|3,0,0]=4 832 B17R0.192 CCCCCCCCCCNC(=O)NCC(=O)N 512a_100000684558_100000711301 [0,0,0,0,1,0|3,0,0]=4 833 B17R0.192 CCCCCCCCCNCC(=O)COC(=O)C 34a_100000212291_100000036994 [0,0,0,0,1,0|3,0,0]=4 834 B17R0.192 CCCCCCCCCNCC(=O)NCC(=O)O 269956a_100000183575_100000210670 [0,0,0,0,1,0|2,0,0]=3 835 B17R0.192 CCCCCCCCCOCC(=O)COC(=O)C 34a_100000210712_100000036994 [0,0,0,0,1,0|3,0,0]=4 836 B17R0.192 CCCCCCCCCSCC(=O)COC(=O)C 62a_100000036994_100000210670 [0,0,0,0,1,0|3,0,0]=4 837 B17R0.192 CCCCCCCCNCCC(=O)NCC(=O)O 269956a_100000722369_100000210759 [0,0,0,0,1,0|2,0,0]=3 838 B17R0.192 COCCCCCCNCCC(=O)NCC(=O)O 269956a_100000722369_100011998445 [0,0,0,0,1,0|3,0,0]=4 839 B17R0.192 NC(=O)CCC(=O)CCCCCCCCCCO 1458a_100011215257_100009813290 [0,0,0,0,1,0|2,0,0]=3 840 B17R0.192 NC(=O)CCC(=O)NCCCCCCCCCO 240690a_100000078944_100011215257 [0,0,0,0,1,0|3,0,0]=4 841 B17R0.192 NC(=O)CNC(=O)CCCCCCCCCCO 240690a_100000711301_200000016029 [0,0,0,0,1,0|3,0,0]=4 842 B17R0.192 NC(=O)NCC(=O)CCCCCCCCCCO 1458a_100000184981_100009813290 [0,0,0,0,1,0|3,0,0]=4 843 B17R0.192 O=C(CCCCCCCCCCO)CC[N+](=O)[O-] 1458a_200000064761_100009813290 [0,0,0,0,1,0|2,0,1]=4 844 B17R0.192 O=C(O)CNC(=O)CCNCCCCCCCO 269956a_100000722369_100000760002 [0,0,0,0,1,0|3,0,0]=4 845 B17R0.192 O=C(O)CNC(=O)CNCCCCCCCCO 269956a_100000183575_100000033203 [0,0,0,0,1,0|3,0,0]=4 846 B19R0.9205 C=C(Br)CCOCC(=O)OCCCCCCCCCC 34a_100009813270_100000210668 [0,0,0,0,0,1|3,0,0]=4 847 B19R0.9205 C=C(C)CCOCC(=O)OCCCCCCCCCC 34a_100000764851_100000210668 [0,0,0,0,0,1|3,0,0]=4 848 B19R0.9205 C=C(C)CCSCC(=O)OCCCCCCCCCC 62a_100000680656_100000730704 [0,0,0,0,0,1|3,0,0]=4 849 B19R0.9205 C=C(C)CCSCC(=O)OCCCCCCCCCC 62a_100000730704_100000680656 [0,0,0,0,0,1|3,0,0]=4 850 B19R0.9205 C=C(C)COCOC(=O)CCCCCCCCCCC 34a_100000210245_100020644155 [0,0,0,0,0,1|3,0,0]=4 851 B19R0.9205 C=C(C)CSCOC(=O)CCCCCCCCCCC 62a_100000748629_100020644155 [0,0,0,0,0,1|3,0,0]=4 852 B19R0.9205 C=C(F)COCOC(=O)CCCCCCCCCCC 34a_200010262243_100020644155 [0,0,0,0,0,1|3,0,0]=4 853 B19R0.9205 C=C(F)CSCOC(=O)CCCCCCCCCCC 62a_100000042424_100020644155 [0,0,0,0,0,1|3,0,0]=4 854 B19R0.9205 C=CCCCCCCCCCC(=O)CCCNC(=O)C 1458a_100000194741_100009814027 [0,0,0,0,0,1|1,0,2]=4 855 B19R0.9205 CC(=O)NCCCC(=O)CCCCCCCCCCO 1458a_100000194741_100009813290 [0,0,0,0,0,1|2,0,0]=3 856 B19R0.9205 CC(=O)NCCCC(=O)NCCCCCCCCCO 240690a_100000078944_100000194741 [0,0,0,0,0,1|3,0,0]=4 857 B19R0.9205 CC(=O)NCCNC(=O)CCCCCCCCCCO 240690a_100000209853_200000016029 [0,0,0,0,0,1|3,0,0]=4 858 B19R0.9205 CC(=O)OCCNC(=O)CCCCCCCCCCO 240690a_100000724843_200000016029 [0,0,0,0,0,1|3,0,0]=4 859 B19R0.9205 CC(=O)SCCNC(=O)CCCCCCCCCCO 240690a_100020647217_200000016029 [0,0,0,0,0,1|3,0,0]=4 860 B19R0.9205 CCCCCCCCCC=CC(=O)CCCCC(=O)C 1458a_200015352897_100000735457 [0,0,0,0,0,1|1,0,2]=4 861 B19R0.9205 CCCCCCCCCC=CC(=O)CCCOC(=O)C 1458a_200015352897_100000042594 [0,0,0,0,0,1|1,0,2]=4 862 B19R0.9205 CCCCCCCCCC=CC(=O)CCCSC(=O)C 1458a_200015352897_100000038929 [0,0,0,0,0,1|1,0,2]=4 863 B19R0.9205 CCCCCCCCCC=CC(=O)CCOCC(=O)N 1458a_200015352897_100000076697 [0,0,0,0,0,1|1,0,2]=4 864 B19R0.9205 CCCCCCCCCC=CC(=O)NCCCC(=O)N 240690a_100000739312_200015352897 [0,0,0,0,0,1|1,0,2]=4 865 B19R0.9205 CCCCCCCCCCCC(=O)CCCN=C(N)N 1458a_100000034108_100011215454 [0,0,0,0,0,1|2,0,0]=3 866 B19R0.9205 CCCCCCCCCCCC(=O)CCCNC(=O)C 1458a_100000194741_100011215454 [0,0,0,0,0,1|1,0,0]=2 867 B19R0.9205 CCCCCCCCCCCC(=O)CCCOC(=O)C 1458a_100000210736_100000042594 [0,0,0,0,0,1|1,0,0]=2 868 B19R0.9205 CCCCCCCCCCCC(=O)CCCOC(=S)C 1458a_100000210736_200135323944 [0,0,0,0,0,1|1,1,0]=3 869 B19R0.9205 CCCCCCCCCCCC(=O)CCCSC(=O)C 1458a_100000210736_100000038929 [0,0,0,0,0,1|1,0,0]=2 870 B19R0.9205 CCCCCCCCCCCC(=O)NCCCC(=O)N 240690a_100000739312_100000210736 [0,0,0,0,0,1|1,0,0]=2 871 B19R0.9205 CCCCCCCCCCCC(=O)NCCCC(C)C 11a_200000737386_100000210736 [0,0,0,0,0,1|2,0,1]=4 872 B19R0.9205 CCCCCCCCCCCC(=O)NCCCC(C)C 1626a_200000737386_100000210736 [0,0,0,0,0,1|2,0,1]=4 873 B19R0.9205 CCCCCCCCCCCC(=O)NCCCC(C)C 240690a_200000737386_100000210736 [0,0,0,0,0,1|2,0,1]=4 874 B19R0.9205 CCCCCCCCCCCC(=O)NCCCN(C)C 240690a_102531767803_100000210736 [0,0,0,0,0,1|3,0,0]=4 875 B19R0.9205 CCCCCCCCCCCC(=O)NCCCS(=O)C 11a_200000753449_100000210736 [0,0,0,0,0,1|2,0,0]=3 876 B19R0.9205 CCCCCCCCCCCC(=O)NCCCS(=O)C 240690a_200000753449_100000210736 [0,0,0,0,0,1|2,0,0]=3 877 B19R0.9205 CCCCCCCCCCCC(=O)NCCNC(=O)C 240690a_100000209853_100000210736 [0,0,0,0,0,1|2,0,0]=3 878 B19R0.9205 CCCCCCCCCCCC(=O)NCCNC(=O)N 240690a_100020590234_100000210736 [0,0,0,0,0,1|2,0,0]=3 879 B19R0.9205 CCCCCCCCCCCC(=O)NCCOC(=O)C 11a_100000724843_100000210736 [0,0,0,0,0,1|2,0,0]=3 880 B19R0.9205 CCCCCCCCCCCC(=O)NCCOC(=O)C 240690a_100000724843_100000210736 [0,0,0,0,0,1|2,0,0]=3 881 B19R0.9205 CCCCCCCCCCCC(=O)NCCSC(=O)C 11a_100020647217_100000210736 [0,0,0,0,0,1|2,0,0]=3 882 B19R0.9205 CCCCCCCCCCCC(=O)NCCSC(=O)C 240690a_100020647217_100000210736 [0,0,0,0,0,1|2,0,0]=3 883 B19R0.9205 CCCCCCCCCCCC(=O)OCNCC(=O)N 2230a_100000711301_100020644155 [0,0,0,0,0,1|2,0,0]=3 884 B19R0.9205 CCCCCCCCCCCC(=O)OCNCC(=O)O 269956a_100016091260_100020644155 [0,0,0,0,0,1|1,0,0]=2 885 B19R0.9205 CCCCCCCCCCCC(=O)OCNCC(C)O 2230a_100000210904_100020644155 [0,0,0,0,0,1|2,0,1]=4 886 B19R0.9205 CCCCCCCCCCCC(=O)OCNCC(C)O 34a_100000210904_100020644155 [0,0,0,0,0,1|2,0,1]=4 887 B19R0.9205 CCCCCCCCCCCC(=O)OCOCC(=O)C 34a_100000211253_100020644155 [0,0,0,0,0,1|2,0,0]=3 888 B19R0.9205 CCCCCCCCCCCC(=O)OCSCC(=O)N 62a_100000747473_100020644155 [0,0,0,0,0,1|2,0,0]=3 889 B19R0.9205 CCCCCCCCCCCC(=O)OCSCC(=O)[O-] 62a_100020667443_100020644155 [0,0,0,0,0,1|1,0,1]=3 890 B19R0.9205 CCCCCCCCCCCC(=O)OCSCC(C)O 62a_100011218427_100020644155 [0,0,0,0,0,1|2,0,1]=4 891 B19R0.9205 CCCCCCCCCCCC(=O)OCSC[C@@H](C)O 62a_100009817552_100020644155 [0,0,0,0,0,1|2,0,1]=4 892 B19R0.9205 CCCCCCCCCCNC(=O)CCCN=C(N)N 240690a_100000684558_100000034108 [0,0,0,0,0,1|3,0,0]=4 893 B19R0.9205 CCCCCCCCCCNC(=O)CCCNC(=O)C 11a_100000684558_100000194741 [0,0,0,0,0,1|2,0,0]=3 894 B19R0.9205 CCCCCCCCCCNC(=O)CCCNC(=O)C 1626a_100000684558_100000194741 [0,0,0,0,0,1|2,0,0]=3 895 B19R0.9205 CCCCCCCCCCNC(=O)CCCNC(=O)C 240690a_100000684558_100000194741 [0,0,0,0,0,1|2,0,0]=3 896 B19R0.9205 CCCCCCCCCCNC(=O)CCCNC(=O)C 527a_100000684558_100000194741 [0,0,0,0,0,1|2,0,0]=3 897 B19R0.9205 CCCCCCCCCCNC(=O)CCSCC(=O)N 11a_100000684558_100000148550 [0,0,0,0,0,1|2,0,0]=3 898 B19R0.9205 CCCCCCCCCCNC(=O)CCSCC(=O)N 240690a_100000684558_100000148550 [0,0,0,0,0,1|2,0,0]=3 899 B19R0.9205 CCCCCCCCCCNC(=O)CCSCC(=O)N 527a_100000684558_100000148550 [0,0,0,0,0,1|2,0,0]=3 900 B19R0.9205 CCCCCCCCCCNC(=O)NCCCC(=O)N 273464a_100000684558_100000739312 [0,0,0,0,0,1|2,0,0]=3 901 B19R0.9205 CCCCCCCCCCNC(=O)NCCCC(=O)N 273464a_100000739312_100000684558 [0,0,0,0,0,1|2,0,0]=3 902 B19R0.9205 CCCCCCCCCCNC(=O)NCCCC(=O)N 512a_100000684558_100000739312 [0,0,0,0,0,1|2,0,0]=3 903 B19R0.9205 CCCCCCCCCCNC(=O)NCCCC(=O)N 512a_100000739312_100000684558 [0,0,0,0,0,1|2,0,0]=3 904 B19R0.9205 CCCCCCCCCCNC(=O)NCCCS(=O)C 2708a_100000684558_200000753449 [0,0,0,0,0,1|3,0,0]=4 905 B19R0.9205 CCCCCCCCCCNC(=O)NCCCS(=O)C 2708a_200000753449_100000684558 [0,0,0,0,0,1|3,0,0]=4 906 B19R0.9205 CCCCCCCCCCNC(=O)NCCCS(=O)C 273464a_100000684558_200000753449 [0,0,0,0,0,1|3,0,0]=4 907 B19R0.9205 CCCCCCCCCCNC(=O)NCCCS(=O)C 273464a_200000753449_100000684558 [0,0,0,0,0,1|3,0,0]=4 908 B19R0.9205 CCCCCCCCCCNC(=O)NCCCS(=O)C 512a_100000684558_200000753449 [0,0,0,0,0,1|3,0,0]=4 909 B19R0.9205 CCCCCCCCCCNC(=O)NCCCS(=O)C 512a_200000753449_100000684558 [0,0,0,0,0,1|3,0,0]=4 910 B19R0.9205 CCCCCCCCCCNC(=O)NCCNC(=O)C 2708a_100000209853_100000684558 [0,0,0,0,0,1|3,0,0]=4 911 B19R0.9205 CCCCCCCCCCNC(=O)NCCNC(=O)C 2708a_100000684558_100000209853 [0,0,0,0,0,1|3,0,0]=4 912 B19R0.9205 CCCCCCCCCCNC(=O)NCCNC(=O)C 273464a_100000209853_100000684558 [0,0,0,0,0,1|3,0,0]=4 913 B19R0.9205 CCCCCCCCCCNC(=O)NCCNC(=O)C 273464a_100000684558_100000209853 [0,0,0,0,0,1|3,0,0]=4 914 B19R0.9205 CCCCCCCCCCNC(=O)NCCNC(=O)C 512a_100000209853_100000684558 [0,0,0,0,0,1|3,0,0]=4 915 B19R0.9205 CCCCCCCCCCNC(=O)NCCNC(=O)C 512a_100000684558_100000209853 [0,0,0,0,0,1|3,0,0]=4 916 B19R0.9205 CCCCCCCCCCNC(=O)NCCNC(=O)N 2708a_100000684558_100020590234 [0,0,0,0,0,1|3,0,0]=4 917 B19R0.9205 CCCCCCCCCCNC(=O)NCCNC(=O)N 273464a_100000684558_100020590234 [0,0,0,0,0,1|3,0,0]=4 918 B19R0.9205 CCCCCCCCCCNC(=O)NCCNC(=O)N 273464a_100020590234_100000684558 [0,0,0,0,0,1|3,0,0]=4 919 B19R0.9205 CCCCCCCCCCNC(=O)NCCNC(=O)N 512a_100000684558_100020590234 [0,0,0,0,0,1|3,0,0]=4 920 B19R0.9205 CCCCCCCCCCNC(=O)NCCNC(=O)N 512a_100020590234_100000684558 [0,0,0,0,0,1|3,0,0]=4 921 B19R0.9205 CCCCCCCCCCNC(=O)NCCOC(=O)C 2708a_100000684558_100000724843 [0,0,0,0,0,1|3,0,0]=4 922 B19R0.9205 CCCCCCCCCCNC(=O)NCCOC(=O)C 273464a_100000684558_100000724843 [0,0,0,0,0,1|3,0,0]=4 923 B19R0.9205 CCCCCCCCCCNC(=O)NCCOC(=O)C 273464a_100000724843_100000684558 [0,0,0,0,0,1|3,0,0]=4 924 B19R0.9205 CCCCCCCCCCNC(=O)NCCOC(=O)C 512a_100000684558_100000724843 [0,0,0,0,0,1|3,0,0]=4 925 B19R0.9205 CCCCCCCCCCNC(=O)NCCOC(=O)C 512a_100000724843_100000684558 [0,0,0,0,0,1|3,0,0]=4 926 B19R0.9205 CCCCCCCCCCNC(=O)NCCSC(=O)C 2708a_100000684558_100020647217 [0,0,0,0,0,1|3,0,0]=4 927 B19R0.9205 CCCCCCCCCCNC(=O)NCCSC(=O)C 2708a_100020647217_100000684558 [0,0,0,0,0,1|3,0,0]=4 928 B19R0.9205 CCCCCCCCCCNC(=O)NCCSC(=O)C 273464a_100000684558_100020647217 [0,0,0,0,0,1|3,0,0]=4 929 B19R0.9205 CCCCCCCCCCNC(=O)NCCSC(=O)C 273464a_100020647217_100000684558 [0,0,0,0,0,1|3,0,0]=4 930 B19R0.9205 CCCCCCCCCCNC(=O)NCCSC(=O)C 512a_100000684558_100020647217 [0,0,0,0,0,1|3,0,0]=4 931 B19R0.9205 CCCCCCCCCCNC(=O)NCCSC(=O)C 512a_100020647217_100000684558 [0,0,0,0,0,1|3,0,0]=4 932 B19R0.9205 CCCCCCCCCCOC(=O)CNCCC(C)O 2230a_200000755665_100000210668 [0,0,0,0,0,1|2,0,1]=4 933 B19R0.9205 CCCCCCCCCCOC(=O)CNOCC(=O)O 269956a_100000106656_100000210668 [0,0,0,0,0,1|2,0,0]=3 934 B19R0.9205 CCCCCCCCCCOC(=O)COCCC(=O)C 34a_100000759926_100000210668 [0,0,0,0,0,1|2,0,0]=3 935 B19R0.9205 CCCCCCCCCCOC(=O)COCCC(=O)C 7a_100000759926_100000210668 [0,0,0,0,0,1|2,0,0]=3 936 B19R0.9205 CCCCCCCCCCOC(=O)COCCC(=O)N 34a_100000757172_100000210668 [0,0,0,0,0,1|2,0,0]=3 937 B19R0.9205 CCCCCCCCCCOC(=O)COCCC(=O)N 7a_100000757172_100000210668 [0,0,0,0,0,1|2,0,0]=3 938 B19R0.9205 CCCCCCCCCCOC(=O)CSCCC(=O)C 62a_100000053229_100000680656 [0,0,0,0,0,1|2,0,0]=3 939 B19R0.9205 CCCCCCCCCCOC(=O)CSCCC(=O)C 62a_100000680656_100000053229 [0,0,0,0,0,1|2,0,0]=3 940 B19R0.9205 CCCCCCCCCCOC(=O)CSCCC(=O)N 62a_100000680656_100000744528 [0,0,0,0,0,1|2,0,0]=3 941 B19R0.9205 CCCCCCCCCCOC(=O)CSCCC(=O)N 62a_100000744528_100000680656 [0,0,0,0,0,1|2,0,0]=3 942 B19R0.9205 CCCCCCCCCCOC(=O)CSCCC(C)O 62a_100000680656_100012276601 [0,0,0,0,0,1|2,0,1]=4 943 B19R0.9205 CCCCCCCCCCOC(=O)CSCCC(C)O 62a_100012276601_100000680656 [0,0,0,0,0,1|2,0,1]=4 944 B19R0.9205 CCCCCCCCCCOC(=O)CSCOC(=O)C 62a_100000076356_100000680656 [0,0,0,0,0,1|3,0,0]=4 945 B19R0.9205 CCCCCCCCCCOC(=O)CSCOC(=O)C 62a_100000680656_100000076356 [0,0,0,0,0,1|3,0,0]=4 946 B19R0.9205 CS(=O)CCCNC(=O)CCCCCCCCCCO 240690a_200000753449_200000016029 [0,0,0,0,0,1|3,0,0]=4 947 B19R0.9205 NC(=NCCCC(=O)CCCCCCCCCCO)N 1458a_100000034108_100009813290 [0,0,0,0,0,1|3,0,0]=4 948 B19R0.9205 NC(=O)CCCNC(=O)CCCCCCCCCCO 240690a_100000739312_200000016029 [0,0,0,0,0,1|2,0,0]=3 949 B19R0.9205 NC(=O)CCCNC(=O)NCCCCCCCCCO 273464a_100000078944_100000739312 [0,0,0,0,0,1|3,0,0]=4 950 B19R0.9205 NC(=O)CCCNC(=O)NCCCCCCCCCO 273464a_100000739312_100000078944 [0,0,0,0,0,1|3,0,0]=4 951 B19R0.9205 NC(=O)CCCNC(=O)NCCCCCCCCCO 512a_100000078944_100000739312 [0,0,0,0,0,1|3,0,0]=4 952 B19R0.9205 NC(=O)CCCNC(=O)NCCCCCCCCCO 512a_100000739312_100000078944 [0,0,0,0,0,1|3,0,0]=4 953 B19R0.9205 NC(=O)CSCCC(=O)NCCCCCCCCCO 240690a_100000078944_100000148550 [0,0,0,0,0,1|3,0,0]=4 954 B19R0.9205 NC(=O)NCCNC(=O)CCCCCCCCCCO 240690a_100020590234_200000016029 [0,0,0,0,0,1|3,0,0]=4 955 B16R0.68 C#CCCCC(=O)CCCCCCCCCC 1458a_100000210375_100000731252 [2,0,0,0,0,0|1,0,1]=4 956 B16R0.68 C#CCCCC(=O)CCCCCCCCCC 1458a_100000690238_100000210319 [2,0,0,0,0,0|1,0,1]=4 957 B16R0.68 C=CCCCC(=O)CCCCCCCCCC 1458a_100000210375_100000757094 [2,0,0,0,0,0|1,0,0]=3 958 B16R0.68 C=CCCCC(=O)CCCCCCCCCC 1458a_100000766728_100000210319 [2,0,0,0,0,0|1,0,0]=3 959 B16R0.68 C=CCCCC(=O)CCCCCCCCCF 1458a_200009909015_100000757094 [2,0,0,0,0,0|2,0,0]=4 960 B16R0.68 C=CCCCC(=O)CCCCCCCCCO 1458a_100000766728_100009813782 [2,0,0,0,0,0|2,0,0]=4 961 B16R0.68 C=CCCCC(=O)COCCCCCCCC 1458a_100000759886_100000757094 [2,0,0,0,0,0|2,0,0]=4 962 B16R0.68 C=CCCCC(=O)NCCCCCCCCC 11a_100000212291_100000766728 [2,0,0,0,0,0|2,0,0]=4 963 B16R0.68 C=CCCCC(=O)NCCCCCCCCC 1626a_100000212291_100000766728 [2,0,0,0,0,0|2,0,0]=4 964 B16R0.68 C=CCCCC(=O)NCCCCCCCCC 240690a_100000212291_100000766728 [2,0,0,0,0,0|2,0,0]=4 965 B16R0.68 C=CCCCC(=O)NCCCCCCCCC 527a_100000212291_100000766728 [2,0,0,0,0,0|2,0,0]=4 966 B16R0.68 C=CCCNC(=O)CCCCCCCCCC 11a_100015191253_100000210375 [2,0,0,0,0,0|2,0,0]=4 967 B16R0.68 C=CCCNC(=O)CCCCCCCCCC 1626a_100015191253_100000210375 [2,0,0,0,0,0|2,0,0]=4 968 B16R0.68 C=CCCNC(=O)CCCCCCCCCC 240690a_100015191253_100000210375 [2,0,0,0,0,0|2,0,0]=4 969 B16R0.68 C=CCSCC(=O)CCCCCCCCCC 1458a_100000230395_100000210319 [2,0,0,0,0,0|2,0,0]=4 970 B16R0.68 C=COCCC(=O)CCCCCCCCCC 1458a_100000210375_100000039644 [2,0,0,0,0,0|2,0,0]=4 971 B16R0.68 CCCCCCCCCCC(=O)CCCC#N 1458a_100000075515_100000210319 [2,0,0,0,0,0|1,0,1]=4 972 B16R0.68 CCCCCCCCCCC(=O)CCCC#N 1458a_100000210375_100000211468 [2,0,0,0,0,0|1,0,1]=4 973 B16R0.68 CCCCCCCCCCC(=O)CCCCC 1458a_100000210375_100000210326 [2,0,0,0,0,0|1,0,1]=4 974 B16R0.68 CCCCCCCCCCC(=O)CCCCC 1458a_100000212188_100000210319 [2,0,0,0,0,0|1,0,1]=4 975 B16R0.68 CCCCCCCCCCC(=O)CCCCF 1458a_100000210375_100000729493 [2,0,0,0,0,0|1,0,1]=4 976 B16R0.68 CCCCCCCCCCC(=O)CCCCO 1458a_100000210375_100000210776 [2,0,0,0,0,0|0,0,1]=3 977 B16R0.68 CCCCCCCCCCC(=O)CCCCO 1458a_100000695505_100000210319 [2,0,0,0,0,0|0,0,1]=3 978 B16R0.68 CCCCCCCCCCC(=O)CCCOC 1458a_100000210375_100000740836 [2,0,0,0,0,0|2,0,0]=4 979 B16R0.68 CCCCCCCCCCC(=O)CCCOC 1458a_100000741012_100000210319 [2,0,0,0,0,0|2,0,0]=4 980 B16R0.68 CCCCCCCCCCC(=O)CCCSC 1458a_100000173376_100000210319 [2,0,0,0,0,0|2,0,0]=4 981 B16R0.68 CCCCCCCCCCC(=O)COCCO 1458a_100000708028_100000210319 [2,0,0,0,0,0|1,0,1]=4 982 B16R0.68 CCCCCCCCCCC(=O)NCCCO 240690a_100000182051_100000210375 [2,0,0,0,0,0|1,0,1]=4 983 B16R0.68 CCCCCCCCCCN(C)CCCC=O 2230a_100000207566_200011292268 [2,0,0,0,0,0|2,0,0]=4 984 B16R0.68 CCCCCCCCCCN(C)CCCC=O 269982a_100000207566_200011292268 [2,0,0,0,0,0|2,0,0]=4 985 B16R0.68 CCCCCCCCCNC(=O)CCCCO 1626a_100000212291_100000695505 [2,0,0,0,0,0|1,0,1]=4 986 B16R0.68 CCCCCCCCOCC(=O)CCCCO 1458a_100000759886_100000210776 [2,0,0,0,0,0|1,0,1]=4 987 B16R0.68 O=C(CCCCO)CCCCCCCCCF 1458a_200009909015_100000210776 [2,0,0,0,0,0|1,0,1]=4 988 B16R0.68 O=C(CCCCO)CCCCCCCCCO 1458a_100000695505_100009813782 [2,0,0,0,0,0|1,0,1]=4 989 B16R0.274 CC(=O)CCCCCCCCCCCCCO 1458a_100000070787_100009812470 [2,0,0,0,0,0|2,0,0]=4 990 B16R0.274 CCCCCCCCCCCCCCC(=O)C 1458a_100000070787_100011215471 [2,0,0,0,0,0|1,0,0]=3 991 B16R0.274 CCCCCCCCCCCCCCC(=O)C 1458a_100000297455_200000210301 [2,0,0,0,0,0|1,0,0]=3 992 B16R0.274 CCCCCCCCCCCCCCC(=O)[13CH3] 1458a_100000297455_200025704644 [2,0,0,0,0,0|1,0,0]=3 993 B16R0.274 CCCCCCCCCCCCCNC(=O)C 11a_100011215765_100015343762 [2,0,0,0,0,0|2,0,0]=4 994 B16R0.274 CCCCCCCCCCCCCNC(=O)C 1626a_100011215765_100015343762 [2,0,0,0,0,0|2,0,0]=4 995 B16R0.274 CCCCCCCCCCCCCNC(=O)C 240690a_100011215765_100015343762 [2,0,0,0,0,0|2,0,0]=4 996 B16R0.274 CCCCCCCCCCCCCNC(=O)C 527a_100011215765_100103153847 [2,0,0,0,0,0|2,0,0]=4 997 B16R0.274 CCCCCCCCCCCCNCC(=O)N 2230a_100000210451_100000747473 [2,0,0,0,0,0|2,0,0]=4 998 B16R0.274 CCCCCCCCCCCCNCC(=O)N 2230a_100000711301_100011215052 [2,0,0,0,0,0|2,0,0]=4 999 B16R0.274 CCCCCCCCCCCCNCC(=O)N 34a_100000210451_100000187820 [2,0,0,0,0,0|2,0,0]=4 1000 B16R0.274 CCCCCCCCCCCCNCC(=O)O 269956a_100016091260_100000759014 [2,0,0,0,0,0|1,0,0]=3 1001 B16R0.274 CCCCCCCCCCCCNCC(=O)[O-] 34a_100000210451_100020667443 [2,0,0,0,0,0|1,0,1]=4 1002 B16R0.274 CCCCCCCCCCCCOCC(=O)C 34a_100000211253_100000759014 [2,0,0,0,0,0|2,0,0]=4 1003 B16R0.274 CCCCCCCCCCCCOCC(=O)N 34a_100000210810_100000187820 [2,0,0,0,0,0|2,0,0]=4 1004 B16R0.274 CCCCCCCCCCCCOCC(=O)N 7a_100000210810_100000187820 [2,0,0,0,0,0|2,0,0]=4 1005 B16R0.274 CCCCCCCCCCCCOCC(=O)[O-] 34a_100000210810_100020667443 [2,0,0,0,0,0|1,0,1]=4 1006 B16R0.274 CCCCCCCCCCCCSCC(=O)N 62a_100000747473_100000759014 [2,0,0,0,0,0|2,0,0]=4 1007 B16R0.274 CCCCCCCCCCCCSCC(=O)[O-] 62a_100020667443_100000759014 [2,0,0,0,0,0|1,0,1]=4 1008 B16R0.274 CCCCCCCCCCCNCCC(=O)N 2230a_200011215754_100000744528 [2,0,0,0,0,0|2,0,0]=4 1009 B16R0.274 CCCCCCCCCCCNCCC(=O)N 34a_200011215754_100000731001 [2,0,0,0,0,0|2,0,0]=4 1010 B16R0.274 CCCCCCCCCCCNOCC(=O)O 269956a_100000106656_100011215454 [2,0,0,0,0,0|2,0,0]=4 1011 B16R0.274 CCCCCCCCCCCOCCC(=O)C 34a_100000759926_100011215454 [2,0,0,0,0,0|2,0,0]=4 1012 B16R0.274 CCCCCCCCCCCOCCC(=O)C 7a_100000210809_100000053229 [2,0,0,0,0,0|2,0,0]=4 1013 B16R0.274 CCCCCCCCCCCOCCC(=O)C 7a_100000759926_100011215454 [2,0,0,0,0,0|2,0,0]=4 1014 B16R0.274 CCCCCCCCCCCOCCC(=O)N 34a_100000210809_100000731001 [2,0,0,0,0,0|2,0,0]=4 1015 B16R0.274 CCCCCCCCCCCOCCC(=O)N 34a_100000757172_100011215454 [2,0,0,0,0,0|2,0,0]=4 1016 B16R0.274 CCCCCCCCCCCOCCC(=O)N 7a_100000210809_100000744528 [2,0,0,0,0,0|2,0,0]=4 1017 B16R0.274 CCCCCCCCCCCOCCC(=O)N 7a_100000757172_100011215454 [2,0,0,0,0,0|2,0,0]=4 1018 B16R0.274 CCCCCCCCCCCSCCC(=O)C 62a_100000053229_100011215454 [2,0,0,0,0,0|2,0,0]=4 1019 B16R0.274 CCCCCCCCCCCSCCC(=O)N 62a_100000744528_100011215454 [2,0,0,0,0,0|2,0,0]=4 1020 B16R0.274 CCCCCCCCCCNCCCC(=O)C 34a_100000684558_100000685027 [2,0,0,0,0,0|2,0,0]=4 1021 B16R0.274 CCCCCCCCCCNCCCC(=O)N 34a_100000684558_100102525003 [2,0,0,0,0,0|2,0,0]=4 1022 B16R0.274 CCCCCCCCCCNCCCC(=O)N 34a_100000739312_100000210320 [2,0,0,0,0,0|2,0,0]=4 1023 B16R0.274 CCCCCCCCCCOCCCC(=O)C 34a_100000210711_100000685027 [2,0,0,0,0,0|2,0,0]=4 1024 B16R0.274 CCCCCCCCCCOCCCC(=O)C 34a_100000759063_100000210320 [2,0,0,0,0,0|2,0,0]=4 1025 B16R0.274 CCCCCCCCCCOCCCC(=O)C 7a_100000210711_100011215641 [2,0,0,0,0,0|2,0,0]=4 1026 B16R0.274 CCCCCCCCCCOCCCC(=O)C 7a_100000759063_100000210320 [2,0,0,0,0,0|2,0,0]=4 1027 B16R0.274 CCCCCCCCCCOCCCC(=O)N 34a_100000210711_100102525003 [2,0,0,0,0,0|2,0,0]=4 1028 B16R0.274 CCCCCCCCCCOCCCC(=O)N 7a_100000210711_100102525003 [2,0,0,0,0,0|2,0,0]=4 1029 B16R0.274 CCCCCCCCCCSCCCC(=O)C 62a_100011215641_100000210320 [2,0,0,0,0,0|2,0,0]=4 1030 B16R0.274 CCCCCCCCCCSCCCC(=O)N 62a_100102525003_100000210320 [2,0,0,0,0,0|2,0,0]=4 1031 B16R0.274 CCCCCCCCCNCCCCC(=O)C 34a_100000212291_100009817362 [2,0,0,0,0,0|2,0,0]=4 1032 B16R0.274 CCCCCCCCCNCCCCC(=O)N 34a_100000696515_100011214924 [2,0,0,0,0,0|2,0,0]=4 1033 B16R0.274 CCCCCCCCCNCCOCC(=O)O 269956a_100000700818_100000210670 [2,0,0,0,0,0|2,0,0]=4 1034 B16R0.274 CCCCCCCCCOCCCCC(=O)C 34a_100000210712_100009817362 [2,0,0,0,0,0|2,0,0]=4 1035 B16R0.274 CCCCCCCCCOCCCCC(=O)C 7a_100000210712_100000735457 [2,0,0,0,0,0|2,0,0]=4 1036 B16R0.274 CCCCCCCCCOCCCCC(=O)N 34a_100012022536_100011214924 [2,0,0,0,0,0|2,0,0]=4 1037 B16R0.274 CCCCCCCCCOCCCCC(=O)N 7a_100012022536_100000210328 [2,0,0,0,0,0|2,0,0]=4 1038 B16R0.274 CCCCCCCCCSCCCCC(=O)C 62a_100000735457_100000210670 [2,0,0,0,0,0|2,0,0]=4 1039 B16R0.274 CCCCCCCCNCCCCCC(=O)N 2230a_100000229939_100009817443 [2,0,0,0,0,0|2,0,0]=4 1040 B16R0.274 CCCCCCCCNCCCCCC(=O)N 34a_100000229939_100009817443 [2,0,0,0,0,0|2,0,0]=4 1041 B16R0.274 CCCCCCCCOCCCCCC(=O)N 34a_100000123541_100000210759 [2,0,0,0,0,0|2,0,0]=4 1042 B16R0.274 CCCCCCCCOCCCCCC(=O)N 34a_100000210232_100009817443 [2,0,0,0,0,0|2,0,0]=4 1043 B16R0.274 CCCCCCCCOCCCCCC(=O)N 7a_100000123541_100000210759 [2,0,0,0,0,0|2,0,0]=4 1044 B16R0.274 CCCCCCCCOCCCCCC(=O)N 7a_100000210232_100009817443 [2,0,0,0,0,0|2,0,0]=4 1045 B16R0.274 CCCCCCCCOCCCCCC(=O)[O-] 7a_100102619762_100000210759 [2,0,0,0,0,0|1,0,1]=4 1046 B16R0.274 CCCCCCCCSCCCCCC(=O)N 62a_100000210759_100009817443 [2,0,0,0,0,0|2,0,0]=4 1047 B16R0.274 CCCCCCCCSCCCCCC(=O)N 62a_100009817443_100000210317 [2,0,0,0,0,0|2,0,0]=4 1048 B16R0.274 CCCOCCCCCCCCCCC(=O)N 34a_100000210258_200010167045 [2,0,0,0,0,0|2,0,0]=4 1049 B16R0.274 CCCSCCCCCCCCCCC(=O)N 62a_100000210303_200010167045 [2,0,0,0,0,0|2,0,0]=4 1050 B16R0.274 CCCSCCCCCCCCCCC(=O)N 62a_200010167045_100000210303 [2,0,0,0,0,0|2,0,0]=4 1051 B16R0.274 O=C(O)CNCCCCCCCCCCCO 269956a_100016091260_100009812471 [2,0,0,0,0,0|2,0,0]=4 1052 B16R0.297 CCCCCCCCCC(=O)CCCC(=O)C 1458a_100000210558_100011215641 [2,0,0,0,0,0|1,0,0]=3 1053 B16R0.297 CCCCCCCCCC(=O)CCCC(=O)N 1458a_100000210558_100102525003 [2,0,0,0,0,0|1,0,0]=3 1054 B16R0.297 CCCCCCCCCC(=O)CCCC(C)O 1458a_100000210558_200000718107 [2,0,0,0,0,0|1,0,1]=4 1055 B16R0.297 CCCCCCCCCC(=O)CCC[N+](=O)[O-] 1458a_100016109205_100000210670 [2,0,0,0,0,0|1,0,1]=4 1056 B16R0.297 CCCCCCCCCC(=O)CCNC(=O)C 1458a_100000183196_100000210670 [2,0,0,0,0,0|2,0,0]=4 1057 B16R0.297 CCCCCCCCCC(=O)CCNC(=O)C 1458a_100000210558_100000189650 [2,0,0,0,0,0|2,0,0]=4 1058 B16R0.297 CCCCCCCCCC(=O)CCNC(=O)N 1458a_100000181464_100000210670 [2,0,0,0,0,0|2,0,0]=4 1059 B16R0.297 CCCCCCCCCC(=O)CCNC(=O)N 1458a_100000210558_200000034859 [2,0,0,0,0,0|2,0,0]=4 1060 B16R0.297 CCCCCCCCCC(=O)CCOC(=O)C 1458a_100000210558_100009814007 [2,0,0,0,0,0|2,0,0]=4 1061 B16R0.297 CCCCCCCCCC(=O)CCOC(=O)N 1458a_100000210558_200011214921 [2,0,0,0,0,0|2,0,0]=4 1062 B16R0.297 CCCCCCCCCC(=O)CCSC(=O)C 1458a_100000048949_100000210670 [2,0,0,0,0,0|2,0,0]=4 1063 B16R0.297 CCCCCCCCCC(=O)COCC(=O)N 1458a_100011219004_100000210670 [2,0,0,0,0,0|2,0,0]=4 1064 B16R0.297 CCCCCCCCCC(=O)NCCC(=O)N 11a_100000740010_100000210558 [2,0,0,0,0,0|2,0,0]=4 1065 B16R0.297 CCCCCCCCCC(=O)NCCC(=O)N 240690a_100000740010_100000210558 [2,0,0,0,0,0|2,0,0]=4 1066 B16R0.297 CCCCCCCCCC(=O)NCCC(=O)N 527a_100000740010_100000210558 [2,0,0,0,0,0|2,0,0]=4 1067 B16R0.297 CCCCCCCCCN(C)CCCC(=O)O 269956a_100000719178_100000210670 [2,0,0,0,0,0|2,0,0]=4 1068 B16R0.303 C=CCCCNCCCCCCCCCCC 2230a_100000700776_100011215454 [2,0,0,0,0,0|2,0,0]=4 1069 B16R0.303 C=CCCCNCCCCCCCCCCC 2230a_200011215754_100011713584 [2,0,0,0,0,0|2,0,0]=4 1070 B16R0.303 C=CCCCNCCCCCCCCCCC 34a_100000700776_100011215454 [2,0,0,0,0,0|2,0,0]=4 1071 B16R0.303 C=CCCCNCCCCCCCCCCC 34a_200011215754_100000757094 [2,0,0,0,0,0|2,0,0]=4 1072 B16R0.303 C=CCCCOCCCCCCCCCCC 34a_100000210809_100000757094 [2,0,0,0,0,0|2,0,0]=4 1073 B16R0.303 C=CCCCOCCCCCCCCCCC 34a_100000758997_100011215454 [2,0,0,0,0,0|2,0,0]=4 1074 B16R0.303 C=CCCCOCCCCCCCCCCC 7a_100000210809_100000757094 [2,0,0,0,0,0|2,0,0]=4 1075 B16R0.303 C=CCCCOCCCCCCCCCCC 7a_100000758997_100011215454 [2,0,0,0,0,0|2,0,0]=4 1076 B16R0.303 CCCCCCCCCC/C=C/COCC=O 34a_200025761149_200009817547 [2,0,0,0,0,0|1,0,1]=4 1077 B16R0.303 CCCCCCCCCC/C=C/COCC=O 7a_200025761149_200015260668 [2,0,0,0,0,0|1,0,1]=4 1078 B16R0.303 CCCCCCCCCCCCCNCC=O 2230a_100011215765_200015260668 [2,0,0,0,0,0|1,0,1]=4 1079 B16R0.303 CCCCCCCCCCCCCNCC=O 34a_100011215765_200009817547 [2,0,0,0,0,0|1,0,1]=4 1080 B16R0.303 CCCCCCCCCCCCCOCC=O 34a_100000185773_200009817547 [2,0,0,0,0,0|1,0,1]=4 1081 B16R0.303 CCCCCCCCCCCCCOCC=O 7a_100000185773_200015260668 [2,0,0,0,0,0|1,0,1]=4 1082 B16R0.303 CCCCCCCCCCCCCSCC=O 62a_200015260668_100011934334 [2,0,0,0,0,0|1,0,1]=4 1083 B16R0.303 CCCCCCCCCCCNCCCC=O 2230a_200011215754_200011292268 [2,0,0,0,0,0|1,0,0]=3 1084 B16R0.303 CCCCCCCCCCCNCCCCO 2230a_100000750430_100011215454 [2,0,0,0,0,0|1,0,1]=4 1085 B16R0.303 CCCCCCCCCCCNCCCCO 2230a_200011215754_100000210776 [2,0,0,0,0,0|1,0,1]=4 1086 B16R0.303 CCCCCCCCCCCNCCCCO 34a_100000750430_100011215454 [2,0,0,0,0,0|1,0,1]=4 1087 B16R0.303 CCCCCCCCCCCNCCCCO 34a_200011215754_100011216708 [2,0,0,0,0,0|1,0,1]=4 1088 B16R0.303 CCCCCCCCCCCOCCCC=O 7a_100000210809_200011292268 [2,0,0,0,0,0|1,0,0]=3 1089 B16R0.303 CCCCCCCCCCCOCCCCO 34a_100000210809_100011216708 [2,0,0,0,0,0|1,0,1]=4 1090 B16R0.303 CCCCCCCCCCCOCCCCO 7a_100000210809_100000210776 [2,0,0,0,0,0|1,0,1]=4 1091 B16R0.303 CCCCCCCCCCCSCCCC=O 62a_200011292268_100011215454 [2,0,0,0,0,0|1,0,0]=3 1092 B16R0.303 CCCCCCCCCCCSCCCCO 62a_100000210776_100011215454 [2,0,0,0,0,0|1,0,1]=4 1093 B16R0.303 CCCCCCCCCCNCCCCC=O 2230a_100000684558_100000139335 [2,0,0,0,0,0|1,0,1]=4 1094 B16R0.303 CCCCCCCCCCOCCCCC=O 7a_100000210711_100000139335 [2,0,0,0,0,0|1,0,1]=4 1095 B16R0.303 CCCCCCCCCCSCCCCC=O 62a_100000139335_100000210320 [2,0,0,0,0,0|1,0,1]=4 1096 B16R0.303 CCCCCCCCCNCCCCCC=O 2230a_100000212291_100000139337 [2,0,0,0,0,0|1,0,1]=4 1097 B16R0.303 CCCCCCCCCOCCCCCC=O 7a_100000210712_100000139337 [2,0,0,0,0,0|1,0,1]=4 1098 B16R0.303 CCCCCCCCCSCCCCCC=O 62a_100000139337_100000210670 [2,0,0,0,0,0|1,0,1]=4 1099 B16R0.303 O=CCCCNCCCCCCCCCCO 2230a_100000066964_200011292268 [2,0,0,0,0,0|2,0,0]=4 1100 B16R0.303 O=CCCCOCCCCCCCCCCBr 7a_100009813290_200011292268 [2,0,0,0,0,0|2,0,0]=4 1101 B16R0.303 O=CCCCOCCCCCCCCCCCl 7a_200000033068_200011292268 [2,0,0,0,0,0|2,0,0]=4 1102 B16R0.303 O=CCCCSCCCCCCCCCCO 62a_100009813290_200011292268 [2,0,0,0,0,0|2,0,0]=4 1103 B16R0.303 O=CCCCSCCCCCCCCCCO 62a_200011292268_200000033068 [2,0,0,0,0,0|2,0,0]=4 1104 B16R0.661 C#CCCC(=O)CCCCCCCCCCC 1458a_100000210736_100000753159 [2,0,0,0,0,0|0,0,2]=4 1105 B16R0.661 C#CCCC(=O)CCCCCCCCCCC 1458a_100000692101_100011215454 [2,0,0,0,0,0|0,0,2]=4 1106 B16R0.661 C/C=C/CC(=O)CCCCCCCCCCC 1458a_100000210736_100102629194 [2,0,0,0,0,0|1,0,1]=4 1107 B16R0.661 C=CCCC(=O)CCCCCCCCCCC 1458a_100000210736_100000754431 [2,0,0,0,0,0|0,0,1]=3 1108 B16R0.661 C=CCCC(=O)CCCCCCCCCCC 1458a_100000749702_100011215454 [2,0,0,0,0,0|0,0,1]=3 1109 B16R0.661 C=CCCC(=O)CCCCCCCCCCO 1458a_100000749702_100009813290 [2,0,0,0,0,0|1,0,1]=4 1110 B16R0.661 C=CCCC(=O)NCCCCCCCCCC 11a_100000684558_100000749702 [2,0,0,0,0,0|1,0,1]=4 1111 B16R0.661 C=CCCC(=O)NCCCCCCCCCC 1626a_100000684558_100000749702 [2,0,0,0,0,0|1,0,1]=4 1112 B16R0.661 C=CCCC(=O)NCCCCCCCCCC 240690a_100000684558_100000749702 [2,0,0,0,0,0|1,0,1]=4 1113 B16R0.661 C=CCCC(=O)NCCCCCCCCCC 527a_100000684558_100000749702 [2,0,0,0,0,0|1,0,1]=4 1114 B16R0.661 C=CCNC(=O)CCCCCCCCCCC 1626a_100020586998_100000210736 [2,0,0,0,0,0|1,0,1]=4 1115 B16R0.661 C=CCNC(=O)CCCCCCCCCCC 240690a_100020586998_100000210736 [2,0,0,0,0,0|1,0,1]=4 1116 B16R0.661 CC=CCC(=O)CCCCCCCCCCC 1458a_100000210736_100000070051 [2,0,0,0,0,0|1,0,1]=4 1117 B16R0.661 CC=CCC(=O)CCCCCCCCCCC 1458a_100121576822_100011215454 [2,0,0,0,0,0|1,0,1]=4 1118 B16R0.661 CCCCC(=O)CCCCCCCCCCO 1458a_100000210183_100009813290 [2,0,0,0,0,0|1,0,1]=4 1119 B16R0.661 CCCCCCCCCC=CC(=O)CCCO 1458a_200015352897_100011215043 [2,0,0,0,0,0|0,0,2]=4 1120 B16R0.661 CCCCCCCCCCCC(=O)C#CCO 1458a_100000049017_100011215454 [2,0,0,0,0,0|0,0,2]=4 1121 B16R0.661 CCCCCCCCCCCC(=O)CCC#N 1458a_100000210736_100011215226 [2,0,0,0,0,0|1,0,1]=4 1122 B16R0.661 CCCCCCCCCCCC(=O)CCC#N 1458a_100011934036_100011215454 [2,0,0,0,0,0|1,0,1]=4 1123 B16R0.661 CCCCCCCCCCCC(=O)CCCC 1458a_100000210183_100011215454 [2,0,0,0,0,0|0,0,1]=3 1124 B16R0.661 CCCCCCCCCCCC(=O)CCCC 1458a_100000210736_100000210211 [2,0,0,0,0,0|0,0,1]=3 1125 B16R0.661 CCCCCCCCCCCC(=O)CCCF 1458a_100000210736_100011934791 [2,0,0,0,0,0|1,0,0]=3 1126 B16R0.661 CCCCCCCCCCCC(=O)CCCO 1458a_100000210736_100011215043 [2,0,0,0,0,0|0,0,0]=2 1127 B16R0.661 CCCCCCCCCCCC(=O)CCOC 1458a_100000210736_100000233755 [2,0,0,0,0,0|1,0,1]=4 1128 B16R0.661 CCCCCCCCCCCC(=O)CCOC 1458a_100000749529_100011215454 [2,0,0,0,0,0|1,0,1]=4 1129 B16R0.661 CCCCCCCCCCCC(=O)CCSC 1458a_100000174002_100011215454 [2,0,0,0,0,0|1,0,1]=4 1130 B16R0.661 CCCCCCCCCCCC(=O)CCSC 1458a_100000210736_100000751147 [2,0,0,0,0,0|1,0,1]=4 1131 B16R0.661 CCCCCCCCCCCC(=O)COCC 1458a_100000211967_100011215454 [2,0,0,0,0,0|1,0,1]=4 1132 B16R0.661 CCCCCCCCCCCC(=O)CSCC 1458a_100000230394_100011215454 [2,0,0,0,0,0|1,0,1]=4 1133 B16R0.661 CCCCCCCCCCCC(=O)NCCC 11a_100020643023_100000210736 [2,0,0,0,0,0|1,0,1]=4 1134 B16R0.661 CCCCCCCCCCCC(=O)NCCC 1626a_100020643023_100000210736 [2,0,0,0,0,0|1,0,1]=4 1135 B16R0.661 CCCCCCCCCCCC(=O)NCCC 240690a_100020643023_100000210736 [2,0,0,0,0,0|1,0,1]=4 1136 B16R0.661 CCCCCCCCCCCC(=O)NCCF 11a_100000724931_100000210736 [2,0,0,0,0,0|2,0,0]=4 1137 B16R0.661 CCCCCCCCCCCC(=O)NCCF 1626a_100000724931_100000210736 [2,0,0,0,0,0|2,0,0]=4 1138 B16R0.661 CCCCCCCCCCCC(=O)NCCF 240690a_100000724931_100000210736 [2,0,0,0,0,0|2,0,0]=4 1139 B16R0.661 CCCCCCCCCCCC(=O)NCCO 240690a_100000210304_100000210736 [2,0,0,0,0,0|1,0,0]=3 1140 B16R0.661 CCCCCCCCCCCN(C)CCCO 2230a_100000213112_100011215454 [2,0,0,0,0,0|2,0,0]=4 1141 B16R0.661 CCCCCCCCCCCN(C)CCCO 269982a_100000213112_100011215454 [2,0,0,0,0,0|2,0,0]=4 1142 B16R0.661 CCCCCCCCCCNC(=O)CCCC 11a_100000684558_100000210183 [2,0,0,0,0,0|1,0,1]=4 1143 B16R0.661 CCCCCCCCCCNC(=O)CCCC 1626a_100000684558_100000210183 [2,0,0,0,0,0|1,0,1]=4 1144 B16R0.661 CCCCCCCCCCNC(=O)CCCC 240690a_100000684558_100000210183 [2,0,0,0,0,0|1,0,1]=4 1145 B16R0.661 CCCCCCCCCCNC(=O)CCCC 527a_100000684558_100000210183 [2,0,0,0,0,0|1,0,1]=4 1146 B16R0.661 CCCCCCCCCCNC(=O)NCCO 2708a_100000684558_100000210304 [2,0,0,0,0,0|2,0,0]=4 1147 B16R0.661 CCCCCCCCCCNC(=O)NCCO 273464a_100000210304_100000684558 [2,0,0,0,0,0|2,0,0]=4 1148 B16R0.661 CCCCCCCCCCNC(=O)NCCO 273464a_100000684558_100000210304 [2,0,0,0,0,0|2,0,0]=4 1149 B16R0.661 CCCCCCCCCCNC(=O)NCCO 512a_100000684558_100000210304 [2,0,0,0,0,0|2,0,0]=4 1150 B16R0.661 O=C(CCCCCCCCCCO)NCCO 240690a_100000210304_200000016029 [2,0,0,0,0,0|2,0,0]=4 1151 B18R0.17427 C#CCCCCCCCCC(=O)CCCC(=O)OC 1458a_100000029693_100011218270 [1,1,0,0,0,0|0,0,2]=4 1152 B18R0.17427 C=CC(=O)OCCC(=O)CCCCCCCCCC 1458a_100000065099_100000210319 [1,1,0,0,0,0|2,0,0]=4 1153 B18R0.17427 C=CC(=O)OCCC(=O)CCCCCCCCCC 1458a_100000210375_100009813456 [1,1,0,0,0,0|2,0,0]=4 1154 B18R0.17427 C=CCCCCCCCCC(=O)CCCC(=O)OC 1458a_100000211349_100011218270 [1,1,0,0,0,0|0,0,2]=4 1155 B18R0.17427 C=CCCCCCCCCC(=O)CCCC(=O)OC 1458a_100000239890_100011933949 [1,1,0,0,0,0|0,0,2]=4 1156 B18R0.17427 CC#CCCCCCCCC(=O)CCCC(=O)OC 1458a_100000066323_100011218270 [1,1,0,0,0,0|0,0,2]=4 1157 B18R0.17427 CCC#CCCCCCCC(=O)CCCC(=O)OC 1458a_100000239890_200000036426 [1,1,0,0,0,0|0,0,2]=4 1158 B18R0.17427 CCCCCCCCC=CC(=O)CCCC(=O)OC 1458a_100015345288_100011218270 [1,1,0,0,0,0|0,0,2]=4 1159 B18R0.17427 CCCCCCCCCCC(=O)CCCC(=O)NC 1458a_100000210375_100000741757 [1,1,0,0,0,0|1,0,0]=3 1160 B18R0.17427 CCCCCCCCCCC(=O)CCCC(=O)OC 1458a_100000210375_100011218270 [1,1,0,0,0,0|0,0,0]=2 1161 B18R0.17427 CCCCCCCCCCC(=O)CCCC(=O)OC 1458a_100000239890_100000210319 [1,1,0,0,0,0|0,0,0]=2 1162 B18R0.17427 CCCCCCCCCCC(=O)CCCN(C)N=O 1458a_200000076914_100000210319 [1,1,0,0,0,0|2,0,0]=4 1163 B18R0.17427 CCCCCCCCCCC(=O)CCOC(=O)NC 1458a_100000210375_200011997002 [1,1,0,0,0,0|2,0,0]=4 1164 B18R0.17427 CCCCCCCCCCC(=O)CSCC(=O)OC 1458a_100000191316_100000210319 [1,1,0,0,0,0|1,0,0]=3 1165 B18R0.17427 CCCCCCCCCCC(=O)NCCC(=O)NC 11a_100000738227_100000210375 [1,1,0,0,0,0|2,0,0]=4 1166 B18R0.17427 CCCCCCCCCCC(=O)NCCC(=O)NC 240690a_100000738227_100000210375 [1,1,0,0,0,0|2,0,0]=4 1167 B18R0.17427 CCCCCCCCCCC(=O)NCCC(=O)OC 188690a_100000683876_100000210375 [1,1,0,0,0,0|1,0,0]=3 1168 B18R0.17427 CCCCCCCCCCN(C)CCCC(=O)OC 2230a_100000207566_100011218270 [1,1,0,0,0,0|2,0,0]=4 1169 B18R0.17427 CCCCCCCCCCN(C)CCCC(=O)OC 269982a_100000207566_100011218270 [1,1,0,0,0,0|2,0,0]=4 1170 B18R0.17427 CCCCCCCCCCN(C)CCCC(=O)OC 269982a_100000739225_100000210320 [1,1,0,0,0,0|2,0,0]=4 1171 B18R0.17427 CCCCCCCCCNC(=O)CCCC(=O)OC 11a_100000212291_100000239890 [1,1,0,0,0,0|1,0,0]=3 1172 B18R0.17427 CCCCCCCCCNC(=O)CCCC(=O)OC 1626a_100000212291_100000239890 [1,1,0,0,0,0|1,0,0]=3 1173 B18R0.17427 CCCCCCCCCNC(=O)CCCC(=O)OC 240690a_100000212291_100000239890 [1,1,0,0,0,0|1,0,0]=3 1174 B18R0.17427 CCCCCCCCCNC(=O)CCCC(=O)OC 527a_100000212291_100000239890 [1,1,0,0,0,0|1,0,0]=3 1175 B18R0.17427 CCCCCCCCCNC(=O)CSCC(=O)OC 11a_100000212291_100000191316 [1,1,0,0,0,0|2,0,0]=4 1176 B18R0.17427 CCCCCCCCCNC(=O)CSCC(=O)OC 1626a_100000212291_100000191316 [1,1,0,0,0,0|2,0,0]=4 1177 B18R0.17427 CCCCCCCCCNC(=O)CSCC(=O)OC 240690a_100000212291_100000191316 [1,1,0,0,0,0|2,0,0]=4 1178 B18R0.17427 CCCCCCCCNCC(=O)NCCC(=O)OC 2230a_100000229939_100000230212 [1,1,0,0,0,0|2,0,0]=4 1179 B18R0.17427 CCCCCCCCNCC(=O)NCCC(=O)OC 34a_100000229939_100000230212 [1,1,0,0,0,0|2,0,0]=4 1180 B18R0.17427 CCCCCCCCOCC(=O)CCCC(=O)NC 1458a_100000759886_100000741757 [1,1,0,0,0,0|2,0,0]=4 1181 B18R0.17427 CCCCCCCCOCC(=O)CCCC(=O)OC 1458a_100000759886_100011218270 [1,1,0,0,0,0|1,0,0]=3 1182 B18R0.17427 CCCCCCCCOCC(=O)NCCC(=O)OC 188690a_100000683876_100000759886 [1,1,0,0,0,0|2,0,0]=4 1183 B18R0.17427 CCCCCCCCOCC(=O)NCCC(=O)OC 34a_100000210232_100000230212 [1,1,0,0,0,0|2,0,0]=4 1184 B18R0.17427 CCCCCCCCOCC(=O)NCCC(=O)OC 7a_100000210232_100000230212 [1,1,0,0,0,0|2,0,0]=4 1185 B18R0.17427 CCCCCCCCSCC(=O)NCCC(=O)OC 62a_100000210759_100000230212 [1,1,0,0,0,0|2,0,0]=4 1186 B18R0.17427 CCCCCCCCSCC(=O)NCCC(=O)OC 62a_100000230212_100000210317 [1,1,0,0,0,0|2,0,0]=4 1187 B18R0.17427 CNC(=O)CCCC(=O)CCCCCCCCCF 1458a_200009909015_100000741757 [1,1,0,0,0,0|2,0,0]=4 1188 B18R0.17427 COC(=O)CCCC(=O)CCCCCCCCCF 1458a_200009909015_100011218270 [1,1,0,0,0,0|1,0,0]=3 1189 B18R0.17427 COC(=O)CCCC(=O)CCCCCCCCCO 1458a_100000239890_100009813782 [1,1,0,0,0,0|1,0,0]=3 1190 B18R0.17427 COC(=O)CCCC(=O)NCCCCCCCCO 240690a_102515433106_100000239890 [1,1,0,0,0,0|2,0,0]=4 1191 B18R0.17427 COC(=O)CCNC(=O)CCCCCCCCCF 188690a_100000683876_200009909015 [1,1,0,0,0,0|2,0,0]=4 1192 B18R0.17427 COC(=O)CCNC(=O)CCCCCCCCCO 188690a_100000683876_100000032657 [1,1,0,0,0,0|2,0,0]=4 1193 B18R0.17427 COC(=O)CSCC(=O)CCCCCCCCCO 1458a_100000191316_100009813782 [1,1,0,0,0,0|2,0,0]=4 1194 B18R0.17436 CCCCCCCCCCC(=O)CCCS(=O)(=O)C 1458a_100000210375_100000754308 [1,1,0,0,0,0|1,0,1]=4 1195 B18R0.17436 CCCCCCCCCCC(=O)CCCS(=O)(=O)N 1458a_100000210375_100000750626 [1,1,0,0,0,0|1,0,1]=4 1196 B18R0.17436 CCCCCCCCCCC(=O)CCCS(=O)(=O)N 1458a_100000739357_100000210319 [1,1,0,0,0,0|1,0,1]=4 1197 B18R0.17436 CCCCCCCCCCC(=O)CCCS(=O)(=O)[O-] 1458a_100000210375_100009813499 [1,1,0,0,0,0|1,0,1]=4 1198 B18R0.19789 CCCCCCCCCCC(=O)CCN(C)C(=O)C 1458a_100011216537_100000210319 [1,1,0,0,0,0|2,0,0]=4 1199 B18R0.20350 CCCCCCCCCCC(=O)N(C)CCC(=O)N 11a_100000730477_100000210375 [1,1,0,0,0,0|2,0,0]=4 1200 B18R0.20350 CCCCCCCCCCC(=O)N(C)CCC(=O)N 240690a_100000730477_100000210375 [1,1,0,0,0,0|2,0,0]=4 1201 B18R0.20350 CCCCCCCCCCC(=O)[C@H](C)CSC(=O)C 1458a_200015407212_100000210319 [1,1,0,0,0,0|2,0,0]=4 1202 B18R0.171 C#CC(=O)CCCCCCCCCCCCCCC 1458a_100000211873_100000210322 [1,1,0,0,0,0|1,0,1]=4 1203 B18R0.171 CCCCCCCCCC/C=C/COCC(=O)OC 34a_200025761149_100000747449 [1,1,0,0,0,0|1,0,1]=4 1204 B18R0.171 CCCCCCCCCC/C=C/COCC(=O)OC 7a_200025761149_100000747449 [1,1,0,0,0,0|1,0,1]=4 1205 B18R0.171 CCCCCCCCCCCCCCCC(=O)NC 11a_106832991635_100000610636 [1,1,0,0,0,0|1,0,1]=4 1206 B18R0.171 CCCCCCCCCCCCCCCC(=O)NC 1626a_100102657272_100000610636 [1,1,0,0,0,0|1,0,1]=4 1207 B18R0.171 CCCCCCCCCCCCCCCC(=O)NC 240690a_100102657272_100000610636 [1,1,0,0,0,0|1,0,1]=4 1208 B18R0.171 CCCCCCCCCCCCCCNC(=O)CO 240690a_100011217771_100000210174 [1,1,0,0,0,0|1,0,1]=4 1209 B18R0.171 CCCCCCCCCCCCCCNC(=O)CO 527a_100011217771_100000210174 [1,1,0,0,0,0|1,0,1]=4 1210 B18R0.171 CCCCCCCCCCCCCNCC(=O)OC 2230a_100011215765_100000747449 [1,1,0,0,0,0|1,0,1]=4 1211 B18R0.171 CCCCCCCCCCCCCNCC(=O)OC 34a_100011215765_100000747449 [1,1,0,0,0,0|1,0,1]=4 1212 B18R0.171 CCCCCCCCCCCCCOCC(=O)OC 34a_100000185773_100000747449 [1,1,0,0,0,0|1,0,1]=4 1213 B18R0.171 CCCCCCCCCCCCCOCC(=O)OC 7a_100000185773_100000747449 [1,1,0,0,0,0|1,0,1]=4 1214 B18R0.171 CCCCCCCCCCCCCSCC(=O)OC 62a_100000747449_100011934334 [1,1,0,0,0,0|1,0,1]=4 1215 B18R0.171 CCCCCCCCCCCCNCCC(=O)OC 2230a_100000210451_100000204255 [1,1,0,0,0,0|1,0,1]=4 1216 B18R0.171 CCCCCCCCCCCCNCCC(=O)OC 34a_100000210451_100000742370 [1,1,0,0,0,0|1,0,1]=4 1217 B18R0.171 CCCCCCCCCCCCOCCC(=O)OC 34a_100000210810_100000742370 [1,1,0,0,0,0|1,0,1]=4 1218 B18R0.171 CCCCCCCCCCCCOCCC(=O)OC 7a_100000210810_100000204255 [1,1,0,0,0,0|1,0,1]=4 1219 B18R0.171 CCCCCCCCCCCCSCCC(=O)OC 62a_100000204255_100000759014 [1,1,0,0,0,0|1,0,1]=4 1220 B18R0.171 CCCCCCCCCCCNCCCC(=O)NC 2230a_100000740002_100011215454 [1,1,0,0,0,0|2,0,0]=4 1221 B18R0.171 CCCCCCCCCCCNCCCC(=O)NC 2230a_200011215754_100000741757 [1,1,0,0,0,0|2,0,0]=4 1222 B18R0.171 CCCCCCCCCCCNCCCC(=O)NC 34a_100000740002_100011215454 [1,1,0,0,0,0|2,0,0]=4 1223 B18R0.171 CCCCCCCCCCCNCCCC(=O)NC 34a_200011215754_100000741757 [1,1,0,0,0,0|2,0,0]=4 1224 B18R0.171 CCCCCCCCCCCNCCCC(=O)OC 2230a_200011215754_100011218270 [1,1,0,0,0,0|1,0,0]=3 1225 B18R0.171 CCCCCCCCCCCNCCCC(=O)OC 34a_200011215754_100000742333 [1,1,0,0,0,0|1,0,0]=3 1226 B18R0.171 CCCCCCCCCCCOCCCC(=O)NC 34a_100000210809_100000741757 [1,1,0,0,0,0|2,0,0]=4 1227 B18R0.171 CCCCCCCCCCCOCCCC(=O)NC 7a_100000210809_100000741757 [1,1,0,0,0,0|2,0,0]=4 1228 B18R0.171 CCCCCCCCCCCOCCCC(=O)NN 34a_100000211488_100011215454 [1,1,0,0,0,0|2,0,0]=4 1229 B18R0.171 CCCCCCCCCCCOCCCC(=O)OC 34a_100000210809_100000742333 [1,1,0,0,0,0|1,0,0]=3 1230 B18R0.171 CCCCCCCCCCCOCCCC(=O)OC 7a_100000210809_100011218270 [1,1,0,0,0,0|1,0,0]=3 1231 B18R0.171 CCCCCCCCCCCOCCNC(=O)OC 34a_100000757965_100011215454 [1,1,0,0,0,0|2,0,0]=4 1232 B18R0.171 CCCCCCCCCCCOCCOC(=O)OC 34a_100010262106_100011215454 [1,1,0,0,0,0|2,0,0]=4 1233 B18R0.171 CCCCCCCCCCCSCCCC(=O)NC 62a_100000741757_100011215454 [1,1,0,0,0,0|2,0,0]=4 1234 B18R0.171 CCCCCCCCCCCSCCCC(=O)OC 62a_100011218270_100011215454 [1,1,0,0,0,0|1,0,0]=3 1235 B18R0.171 CCCCCCCCCCNCCCCC(=O)OC 2230a_100000684558_100000204269 [1,1,0,0,0,0|1,0,1]=4 1236 B18R0.171 CCCCCCCCCCNCCCCC(=O)OC 34a_100000684558_100000204269 [1,1,0,0,0,0|1,0,1]=4 1237 B18R0.171 CCCCCCCCCCOCCCCC(=O)OC 34a_100000059025_100000210320 [1,1,0,0,0,0|1,0,1]=4 1238 B18R0.171 CCCCCCCCCCOCCCCC(=O)OC 34a_100000210711_100000204269 [1,1,0,0,0,0|1,0,1]=4 1239 B18R0.171 CCCCCCCCCCOCCCCC(=O)OC 7a_100000059025_100000210320 [1,1,0,0,0,0|1,0,1]=4 1240 B18R0.171 CCCCCCCCCCOCCCCC(=O)OC 7a_100000210711_100000204269 [1,1,0,0,0,0|1,0,1]=4 1241 B18R0.171 CCCCCCCCCCSCCCCC(=O)OC 62a_100000204269_100000210320 [1,1,0,0,0,0|1,0,1]=4 1242 B18R0.171 CCCCCCCCCNCCCCCC(=O)OC 2230a_100000212291_100009816466 [1,1,0,0,0,0|1,0,1]=4 1243 B18R0.171 CCCCCCCCCNCCCCCC(=O)OC 34a_100000212291_100009816466 [1,1,0,0,0,0|1,0,1]=4 1244 B18R0.171 CCCCCCCCCOCCCCCC(=O)OC 34a_100000074720_100011214924 [1,1,0,0,0,0|1,0,1]=4 1245 B18R0.171 CCCCCCCCCOCCCCCC(=O)OC 34a_100000210712_100009816466 [1,1,0,0,0,0|1,0,1]=4 1246 B18R0.171 CCCCCCCCCOCCCCCC(=O)OC 7a_100000074720_100000210328 [1,1,0,0,0,0|1,0,1]=4 1247 B18R0.171 CCCCCCCCCOCCCCCC(=O)OC 7a_100000210712_100009816466 [1,1,0,0,0,0|1,0,1]=4 1248 B18R0.171 CCCCCCCCCSCCCCCC(=O)OC 62a_100009816466_100000210670 [1,1,0,0,0,0|1,0,1]=4 1249 B18R0.171 CCCCCCCCNCCCCCCC(=O)OC 2230a_100000229939_100009815986 [1,1,0,0,0,0|1,0,1]=4 1250 B18R0.171 CCCCCCCCNCCCCCCC(=O)OC 34a_100000229939_100009815986 [1,1,0,0,0,0|1,0,1]=4 1251 B18R0.171 CCCCCCCCOCCCCCCC(=O)OC 34a_100000210232_100009815986 [1,1,0,0,0,0|1,0,1]=4 1252 B18R0.171 CCCCCCCCOCCCCCCC(=O)OC 34a_100009863599_100000210759 [1,1,0,0,0,0|1,0,1]=4 1253 B18R0.171 CCCCCCCCOCCCCCCC(=O)OC 7a_100000210232_100009815986 [1,1,0,0,0,0|1,0,1]=4 1254 B18R0.171 CCCCCCCCOCCCCCCC(=O)OC 7a_100009863599_100000210759 [1,1,0,0,0,0|1,0,1]=4 1255 B18R0.171 CCCCCCCCSCCCCCCC(=O)OC 62a_100000210759_100009815986 [1,1,0,0,0,0|1,0,1]=4 1256 B18R0.171 CCCCCCCCSCCCCCCC(=O)OC 62a_100009815986_100000210317 [1,1,0,0,0,0|1,0,1]=4 1257 B18R0.171 CCCCCCCNCCCCCCCC(=O)OC 2230a_100000229938_100010004213 [1,1,0,0,0,0|1,0,1]=4 1258 B18R0.171 CCCCCCCOCCCCCCCC(=O)OC 34a_100000210272_100010004213 [1,1,0,0,0,0|1,0,1]=4 1259 B18R0.171 CCCCCCCOCCCCCCCC(=O)OC 34a_100011022521_100000210614 [1,1,0,0,0,0|1,0,1]=4 1260 B18R0.171 CCCCCCCOCCCCCCCC(=O)OC 7a_100000210272_100010004213 [1,1,0,0,0,0|1,0,1]=4 1261 B18R0.171 CCCCCCCOCCCCCCCC(=O)OC 7a_100011022521_100000210614 [1,1,0,0,0,0|1,0,1]=4 1262 B18R0.171 CCCCCCCSCCCCCCCC(=O)OC 62a_100000210614_100010004213 [1,1,0,0,0,0|1,0,1]=4 1263 B18R0.171 CCCCCCCSCCCCCCCC(=O)OC 62a_100010004213_100000210316 [1,1,0,0,0,0|1,0,1]=4 1264 B18R0.171 CCCCCCNCCCCCCCCC(=O)OC 2230a_100000210581_100010282707 [1,1,0,0,0,0|1,0,1]=4 1265 B18R0.171 CCCCCCOCCCCCCCCC(=O)OC 34a_100000035544_100000210314 [1,1,0,0,0,0|1,0,1]=4 1266 B18R0.171 CCCCCCOCCCCCCCCC(=O)OC 34a_100000210259_100010282707 [1,1,0,0,0,0|1,0,1]=4 1267 B18R0.171 CCCCCCOCCCCCCCCC(=O)OC 7a_100000035544_100000210314 [1,1,0,0,0,0|1,0,1]=4 1268 B18R0.171 CCCCCCOCCCCCCCCC(=O)OC 7a_100000210259_100010282707 [1,1,0,0,0,0|1,0,1]=4 1269 B18R0.171 CCCCCCSCCCCCCCCC(=O)OC 62a_100000210314_100010282707 [1,1,0,0,0,0|1,0,1]=4 1270 B18R0.171 CCCCCCSCCCCCCCCC(=O)OC 62a_100010282707_100000210757 [1,1,0,0,0,0|1,0,1]=4 1271 B18R0.171 CCCCCNCCCCCCCCCC(=O)OC 2230a_100000209983_100009813843 [1,1,0,0,0,0|1,0,1]=4 1272 B18R0.171 CCCCCOCCCCCCCCCC(=O)OC 34a_100000210253_100009813843 [1,1,0,0,0,0|1,0,1]=4 1273 B18R0.171 CCCCCOCCCCCCCCCC(=O)OC 7a_100000210253_100009813843 [1,1,0,0,0,0|1,0,1]=4 1274 B18R0.171 CCCCCSCCCCCCCCCC(=O)OC 62a_100000210326_100009813843 [1,1,0,0,0,0|1,0,1]=4 1275 B18R0.171 CCCCNCCCCCCCCCCC(=O)OC 2230a_100000102301_100009812566 [1,1,0,0,0,0|1,0,1]=4 1276 B18R0.171 CCCCNCCCCCCCCCCC(=O)OC 7a_106832991798_100009812566 [1,1,0,0,0,0|1,0,1]=4 1277 B18R0.171 CCCCOCCCCCCCCCCC(=O)OC 34a_100000210227_100009812566 [1,1,0,0,0,0|1,0,1]=4 1278 B18R0.171 CCCCOCCCCCCCCCCC(=O)OC 34a_100011003013_100000210210 [1,1,0,0,0,0|1,0,1]=4 1279 B18R0.171 CCCCOCCCCCCCCCCC(=O)OC 7a_100000210227_100009812566 [1,1,0,0,0,0|1,0,1]=4 1280 B18R0.171 CCCCOCCCCCCCCCCC(=O)OC 7a_100011003013_100000210211 [1,1,0,0,0,0|1,0,1]=4 1281 B18R0.171 CCCCSCCCCCCCCCCC(=O)OC 62a_100000210211_100009812566 [1,1,0,0,0,0|1,0,1]=4 1282 B18R0.171 CCCOCCCCCCCCCCCC(=O)OC 34a_100000210258_100010983606 [1,1,0,0,0,0|1,0,1]=4 1283 B18R0.171 CCCSCCCCCCCCCCCC(=O)OC 62a_100000210303_100010983606 [1,1,0,0,0,0|1,0,1]=4 1284 B18R0.171 CCNCCCCCCCCCCCCC(=O)OC 2230a_100015525214_209314222159 [1,1,0,0,0,0|1,0,1]=4 1285 B18R0.171 CCOCCCCCCCCCCCCC(=O)OC 34a_100121572206_209314222159 [1,1,0,0,0,0|1,0,1]=4 1286 B18R0.171 CCSCCCCCCCCCCCCC(=O)OC 62a_100000210202_209314222159 [1,1,0,0,0,0|1,0,1]=4 1287 B18R0.171 COC(=O)CCCNCCCCCCCCCCO 2230a_100000066964_100011218270 [1,1,0,0,0,0|2,0,0]=4 1288 B18R0.171 COC(=O)CCCNCCCCCCCCCCO 34a_100000066964_100000742333 [1,1,0,0,0,0|2,0,0]=4 1289 B18R0.171 COC(=O)CCCOCCCCCCCCCCBr 34a_100009813290_100000742333 [1,1,0,0,0,0|2,0,0]=4 1290 B18R0.171 COC(=O)CCCOCCCCCCCCCCBr 7a_100009813290_100011218270 [1,1,0,0,0,0|2,0,0]=4 1291 B18R0.171 COC(=O)CCCOCCCCCCCCCCCl 34a_200000033068_100000742333 [1,1,0,0,0,0|2,0,0]=4 1292 B18R0.171 COC(=O)CCCOCCCCCCCCCCCl 7a_200000033068_100011218270 [1,1,0,0,0,0|2,0,0]=4 1293 B18R0.171 COC(=O)CCCOCCCCCCCCCCN 34a_100000066964_100000742333 [1,1,0,0,0,0|2,0,0]=4 1294 B18R0.171 COC(=O)CCCSCCCCCCCCCCO 62a_100009813290_100011218270 [1,1,0,0,0,0|2,0,0]=4 1295 B18R0.171 COC(=O)CCCSCCCCCCCCCCO 62a_100011218270_200000033068 [1,1,0,0,0,0|2,0,0]=4 1296 B18R0.174 CCCCCCCCCCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210684 [1,1,0,0,0,0|1,0,1]=4 1297 B18R0.174 CCCCCCCCCCCCNCC(C)C(=O)O 269956a_100000749485_100000759014 [1,1,0,0,0,0|1,0,1]=4 1298 B18R0.174 CCCCCCCCCCCCNCC(F)C(=O)O 269956a_100000084737_100000759014 [1,1,0,0,0,0|1,0,1]=4 1299 B18R0.176 CCCCCCCCCC/C=C/COCCC(=O)C 7a_200025761149_100000053229 [1,1,0,0,0,0|1,0,1]=4 1300 B18R0.176 CCCCCCCCCC/C=C/COCCC(=O)N 34a_200025761149_100000731001 [1,1,0,0,0,0|1,0,1]=4 1301 B18R0.176 CCCCCCCCCC/C=C/COCCC(=O)N 7a_200025761149_100000744528 [1,1,0,0,0,0|1,0,1]=4 1302 B18R0.176 CCCCCCCCCCCCCCCNC(=O)C 11a_200000297553_100015343762 [1,1,0,0,0,0|1,0,1]=4 1303 B18R0.176 CCCCCCCCCCCCCCCNC(=O)C 1626a_200000297553_100015343762 [1,1,0,0,0,0|1,0,1]=4 1304 B18R0.176 CCCCCCCCCCCCCCCNC(=O)C 240690a_200000297553_100015343762 [1,1,0,0,0,0|1,0,1]=4 1305 B18R0.176 CCCCCCCCCCCCCCCNC(=O)C 527a_200000297553_100103153847 [1,1,0,0,0,0|1,0,1]=4 1306 B18R0.176 CCCCCCCCCCCNCCCNC(=O)C 34a_100000736810_100011215454 [1,1,0,0,0,0|2,0,0]=4 1307 B18R0.176 CCCCCCCCCCCNCCCOC(=O)C 34a_200011215754_100000042594 [1,1,0,0,0,0|2,0,0]=4 1308 B18R0.176 CCCCCCCCCCCNCCCSC(=O)C 2230a_200011215754_100000038929 [1,1,0,0,0,0|2,0,0]=4 1309 B18R0.176 CCCCCCCCCCCNCCCSC(=O)C 34a_200011215754_100000038929 [1,1,0,0,0,0|2,0,0]=4 1310 B18R0.176 CCCCCCCCCCCOCCCNC(=O)C 34a_100000752032_100011215454 [1,1,0,0,0,0|2,0,0]=4 1311 B18R0.176 CCCCCCCCCCCOCCCOC(=O)C 34a_100000210809_100000042594 [1,1,0,0,0,0|2,0,0]=4 1312 B18R0.176 CCCCCCCCCCCOCCCOC(=O)C 7a_100000210809_100000042594 [1,1,0,0,0,0|2,0,0]=4 1313 B18R0.176 CCCCCCCCCCCOCCCSC(=O)C 34a_100000210809_100000038929 [1,1,0,0,0,0|2,0,0]=4 1314 B18R0.176 CCCCCCCCCCCOCCCSC(=O)C 7a_100000210809_100000038929 [1,1,0,0,0,0|2,0,0]=4 1315 B18R0.176 CCCCCCCCCCCSCCCOC(=O)C 62a_100000042594_100011215454 [1,1,0,0,0,0|2,0,0]=4 1316 B18R0.176 CCCCCCCCCCCSCCCSC(=O)C 62a_100000038929_100011215454 [1,1,0,0,0,0|2,0,0]=4 1317 B18R0.220 CCCCCCCCCCCCCN(C)CC(=O)O 269956a_100000746989_100000210684 [1,1,0,0,0,0|1,0,1]=4 1318 B18R0.220 CCCCCCCCCCCNCC(O)CC(=O)O 269956a_100011218706_100011215454 [1,1,0,0,0,0|1,0,0]=3 1319 B18R0.220 O=C(O)CC(O)CNCCCCCCCCCCO 269956a_100011218706_100009813290 [1,1,0,0,0,0|2,0,0]=4 1320 B18R0.17430 CCCCCCCCCCC(C)OCCCC(=O)C 34a_100011215000_100000685027 [1,1,0,0,0,0|2,0,0]=4 1321 B18R0.17430 CCCCCCCCCCC(C)OCCCC(=O)C 7a_100011215000_100011215641 [1,1,0,0,0,0|2,0,0]=4 1322 B18R0.17430 CCCCCCCCCCC(C)OCCCC(=O)N 34a_100011215000_100102525003 [1,1,0,0,0,0|2,0,0]=4 1323 B18R0.17430 CCCCCCCCCCC(C)OCCCC(=O)N 7a_100011215000_100102525003 [1,1,0,0,0,0|2,0,0]=4 1324 B18R0.19183 CCCCCCCCCCCCC(C)NCC(=O)O 269956a_100016091260_200011217028 [1,1,0,0,0,0|1,0,1]=4 1325 B18R0.45 CCCCCCCCCCCC(=O)N[C@H](C)CCO 240690a_100000706166_100000210736 [1,1,0,0,0,0|1,0,1]=4 1326 B18R0.7792 C#CCCCCC(=O)CCCCCCCCCCC 1458a_100000210736_100010269958 [1,1,0,0,0,0|1,0,1]=4 1327 B18R0.7792 C#CCCCCC(=O)CCCCCCCCCCC 1458a_100000696528_100011215454 [1,1,0,0,0,0|1,0,1]=4 1328 B18R0.7792 C#CCCCNC(=O)CCCCCCCCCCC 11a_100000718082_100000210736 [1,1,0,0,0,0|1,0,1]=4 1329 B18R0.7792 C#CCCCNC(=O)CCCCCCCCCCC 1626a_100000718082_100000210736 [1,1,0,0,0,0|1,0,1]=4 1330 B18R0.7792 C#CCCCNC(=O)CCCCCCCCCCC 240690a_100000718082_100000210736 [1,1,0,0,0,0|1,0,1]=4 1331 B18R0.7792 C#CCOCCC(=O)CCCCCCCCCCC 1458a_100000210736_100010402529 [1,1,0,0,0,0|1,0,1]=4 1332 B18R0.7792 C#CCOCCC(=O)CCCCCCCCCCC 1458a_100000693358_100011215454 [1,1,0,0,0,0|1,0,1]=4 1333 B18R0.7792 C=CCCCCC(=O)NCCCCCCCCCC 11a_100000684558_100011215552 [1,1,0,0,0,0|2,0,0]=4 1334 B18R0.7792 C=CCCCCC(=O)NCCCCCCCCCC 1626a_100000684558_100011215552 [1,1,0,0,0,0|2,0,0]=4 1335 B18R0.7792 C=CCCCCC(=O)NCCCCCCCCCC 240690a_100000684558_100011215552 [1,1,0,0,0,0|2,0,0]=4 1336 B18R0.7792 C=CCCCCC(=O)NCCCCCCCCCC 527a_100000684558_100011215552 [1,1,0,0,0,0|2,0,0]=4 1337 B18R0.7792 C=CCCCNC(=O)CCCCCCCCCCC 11a_100000700776_100000210736 [1,1,0,0,0,0|1,0,0]=3 1338 B18R0.7792 C=CCCCNC(=O)CCCCCCCCCCC 1626a_100000700776_100000210736 [1,1,0,0,0,0|1,0,0]=3 1339 B18R0.7792 C=CCCCNC(=O)CCCCCCCCCCC 240690a_100000700776_100000210736 [1,1,0,0,0,0|1,0,0]=3 1340 B18R0.7792 C=CCCCNC(=O)CCCCCCCCCCO 240690a_100000700776_200000016029 [1,1,0,0,0,0|2,0,0]=4 1341 B18R0.7792 C=CCCCNC(=O)NCCCCCCCCCC 2708a_100000684558_100000700776 [1,1,0,0,0,0|2,0,0]=4 1342 B18R0.7792 C=CCCCNC(=O)NCCCCCCCCCC 2708a_100000700776_100000684558 [1,1,0,0,0,0|2,0,0]=4 1343 B18R0.7792 C=CCCCNC(=O)NCCCCCCCCCC 273464a_100000684558_100000700776 [1,1,0,0,0,0|2,0,0]=4 1344 B18R0.7792 C=CCCCNC(=O)NCCCCCCCCCC 273464a_100000700776_100000684558 [1,1,0,0,0,0|2,0,0]=4 1345 B18R0.7792 C=CCCCNC(=O)NCCCCCCCCCC 512a_100000684558_100000700776 [1,1,0,0,0,0|2,0,0]=4 1346 B18R0.7792 C=CCCCNC(=O)NCCCCCCCCCC 512a_100000700776_100000684558 [1,1,0,0,0,0|2,0,0]=4 1347 B18R0.7792 C=CCCNCC(=O)OCCCCCCCCCC 2230a_100015191253_100000210668 [1,1,0,0,0,0|2,0,0]=4 1348 B18R0.7792 C=CCCOCC(=O)OCCCCCCCCCC 34a_100011205117_100000210668 [1,1,0,0,0,0|2,0,0]=4 1349 B18R0.7792 C=CCCSCC(=O)OCCCCCCCCCC 62a_100000680656_100000754431 [1,1,0,0,0,0|2,0,0]=4 1350 B18R0.7792 C=CCCSCC(=O)OCCCCCCCCCC 62a_100000754431_100000680656 [1,1,0,0,0,0|2,0,0]=4 1351 B18R0.7792 C=CCNCOC(=O)CCCCCCCCCCC 2230a_100020586998_100020644155 [1,1,0,0,0,0|2,0,0]=4 1352 B18R0.7792 C=CCOCCC(=O)NCCCCCCCCCC 11a_100000684558_200011217002 [1,1,0,0,0,0|2,0,0]=4 1353 B18R0.7792 C=CCOCCC(=O)NCCCCCCCCCC 1626a_100000684558_200011217002 [1,1,0,0,0,0|2,0,0]=4 1354 B18R0.7792 C=CCOCCC(=O)NCCCCCCCCCC 240690a_100000684558_200011217002 [1,1,0,0,0,0|2,0,0]=4 1355 B18R0.7792 C=CCOCCC(=O)NCCCCCCCCCC 527a_100000684558_200011217002 [1,1,0,0,0,0|2,0,0]=4 1356 B18R0.7792 C=CCOCOC(=O)CCCCCCCCCCC 34a_200000210373_100020644155 [1,1,0,0,0,0|2,0,0]=4 1357 B18R0.7792 C=CCSCOC(=O)CCCCCCCCCCC 62a_100000210623_100020644155 [1,1,0,0,0,0|2,0,0]=4 1358 B18R0.7792 CCCCCCCCCCCC(=O)CCCCC#N 1458a_100000210736_100000211819 [1,1,0,0,0,0|1,0,1]=4 1359 B18R0.7792 CCCCCCCCCCCC(=O)CCCN=[N+]=[N-] 1458a_100010262590_100011215454 [1,1,0,0,0,0|2,0,0]=4 1360 B18R0.7792 CCCCCCCCCCCC(=O)CCOCC#N 1458a_100000210736_200000047693 [1,1,0,0,0,0|1,0,1]=4 1361 B18R0.7792 CCCCCCCCCCCC(=O)NCCCCC 11a_100000209983_100000210736 [1,1,0,0,0,0|1,0,1]=4 1362 B18R0.7792 CCCCCCCCCCCC(=O)NCCCCC 1626a_100000209983_100000210736 [1,1,0,0,0,0|1,0,1]=4 1363 B18R0.7792 CCCCCCCCCCCC(=O)NCCCCC 240690a_100000209983_100000210736 [1,1,0,0,0,0|1,0,1]=4 1364 B18R0.7792 CCCCCCCCCCCC(=O)NCCCCO 240690a_100000750430_100000210736 [1,1,0,0,0,0|0,0,1]=3 1365 B18R0.7792 CCCCCCCCCCCC(=O)NCCCOC 1626a_100150723488_100000210736 [1,1,0,0,0,0|1,0,1]=4 1366 B18R0.7792 CCCCCCCCCCCC(=O)NCCCOC 240690a_100150723488_100000210736 [1,1,0,0,0,0|1,0,1]=4 1367 B18R0.7792 CCCCCCCCCCCC(=O)NCCCSC 11a_100000749238_100000210736 [1,1,0,0,0,0|2,0,0]=4 1368 B18R0.7792 CCCCCCCCCCCC(=O)NCCCSC 1626a_100000749238_100000210736 [1,1,0,0,0,0|2,0,0]=4 1369 B18R0.7792 CCCCCCCCCCCC(=O)NCCCSC 240690a_100000749238_100000210736 [1,1,0,0,0,0|2,0,0]=4 1370 B18R0.7792 CCCCCCCCCCCC(=O)OCNCCO 2230a_100016997473_100020644155 [1,1,0,0,0,0|1,0,1]=4 1371 B18R0.7792 CCCCCCCCCCCC(=O)OCNCCO 34a_100016990907_100020644155 [1,1,0,0,0,0|1,0,1]=4 1372 B18R0.7792 CCCCCCCCCCCC(=O)OCSCC=O 62a_200015260668_100020644155 [1,1,0,0,0,0|1,0,0]=3 1373 B18R0.7792 CCCCCCCCCCCC(=O)OCSCCO 62a_100000211926_100020644155 [1,1,0,0,0,0|1,0,1]=4 1374 B18R0.7792 CCCCCCCCCCNC(=O)CCCCCO 240690a_100000684558_100102619762 [1,1,0,0,0,0|1,0,1]=4 1375 B18R0.7792 CCCCCCCCCCNC(=O)CCOCCO 1626a_100000684558_100011229844 [1,1,0,0,0,0|1,0,1]=4 1376 B18R0.7792 CCCCCCCCCCNC(=O)CCOCCO 240690a_100000684558_100011229844 [1,1,0,0,0,0|1,0,1]=4 1377 B18R0.7792 CCCCCCCCCCNC(=O)NCCCCO 2708a_100000684558_100000750430 [1,1,0,0,0,0|1,0,1]=4 1378 B18R0.7792 CCCCCCCCCCNC(=O)NCCCCO 2708a_100000750430_100000684558 [1,1,0,0,0,0|1,0,1]=4 1379 B18R0.7792 CCCCCCCCCCNC(=O)NCCCCO 273464a_100000684558_100000750430 [1,1,0,0,0,0|1,0,1]=4 1380 B18R0.7792 CCCCCCCCCCNC(=O)NCCCCO 273464a_100000750430_100000684558 [1,1,0,0,0,0|1,0,1]=4 1381 B18R0.7792 CCCCCCCCCCNC(=O)NCCCCO 512a_100000684558_100000750430 [1,1,0,0,0,0|1,0,1]=4 1382 B18R0.7792 CCCCCCCCCCNC(=O)NCCCCO 512a_100000750430_100000684558 [1,1,0,0,0,0|1,0,1]=4 1383 B18R0.7792 CCCCCCCCCCOC(=O)CSCCCO 62a_100000680656_100011215043 [1,1,0,0,0,0|1,0,1]=4 1384 B18R0.7792 CCCCCCCCCCOC(=O)CSCCCO 62a_100011215043_100000680656 [1,1,0,0,0,0|1,0,1]=4 1385 B18R0.7792 O=C(CCCCCCCCCCO)NCCCCO 240690a_100000750430_200000016029 [1,1,0,0,0,0|1,0,1]=4 1386 B18R0.7795 CCCCCCCCCCCC(=O)NCC(C)CO 240690a_100000744482_100000210736 [1,1,0,0,0,0|1,0,1]=4 1387 B18R0.7795 CCCCCCCCCCCC(=O)NC[C@@H](F)CO 240690a_100015665980_100000210736 [1,1,0,0,0,0|1,0,1]=4 1388 B18R0.7795 CCCCCCCCCCCC(=O)NC[C@H](O)CO 240690a_100020644852_100000210736 [1,1,0,0,0,0|1,0,1]=4 1389 B18R0.7796 C=CCCN(C)C(=O)CCCCCCCCCCC 11a_100020639649_100000210736 [1,1,0,0,0,0|2,0,0]=4 1390 B18R0.7796 C=CCCN(C)C(=O)CCCCCCCCCCC 1626a_100020639649_100000210736 [1,1,0,0,0,0|2,0,0]=4 1391 B18R0.7796 C=CCCN(C)C(=O)CCCCCCCCCCC 240690a_100020639649_100000210736 [1,1,0,0,0,0|2,0,0]=4 1392 B18R0.7796 C=CCSC(C)C(=O)CCCCCCCCCCC 1458a_100000230602_100011215454 [1,1,0,0,0,0|2,0,0]=4 1393 B18R0.7796 CCCCCCCCCCCC(=O)C(O)CCCC 1458a_100000720857_100011215454 [1,1,0,0,0,0|1,0,1]=4 1394 B18R0.7796 CCCCCCCCCCCC(=O)C(O)CCSC 1458a_100000685904_100011215454 [1,1,0,0,0,0|2,0,0]=4 1395 B18R0.7796 CCCCCCCCCCCC(=O)N(C)CCCO 240690a_100000213112_100000210736 [1,1,0,0,0,0|1,0,1]=4 1396 B18R0.11006 C=CCCCC(=O)N(C)CCCCCCCCCC 11a_100000207566_100000766728 [1,1,0,0,0,0|2,0,0]=4 1397 B18R0.11006 C=CCCCC(=O)N(C)CCCCCCCCCC 1626a_100000207566_100000766728 [1,1,0,0,0,0|2,0,0]=4 1398 B18R0.11006 C=CCCCC(=O)N(C)CCCCCCCCCC 240690a_100000207566_100000766728 [1,1,0,0,0,0|2,0,0]=4 1399 B18R0.11006 C=CCCCC(=O)N(C)CCCCCCCCCC 527a_100000207566_100000766728 [1,1,0,0,0,0|2,0,0]=4 1400 B18R0.11006 CCCCCCCCCCN(C)C(=O)CCCCO 1626a_100000207566_100000695505 [1,1,0,0,0,0|1,0,1]=4 1401 B18R0.19321 C=CCCNC(=O)CC(O)CCCCCCCCC 1626a_100015191253_200012339438 [1,1,0,0,0,0|2,0,0]=4 1402 B18R0.19321 C=CCCNC(=O)CC(O)CCCCCCCCC 240690a_100015191253_200012339438 [1,1,0,0,0,0|2,0,0]=4 1403 B18R0.19321 CCCCCCCCCC(O)CC(=O)NCCCO 240690a_100000182051_200012339438 [1,1,0,0,0,0|1,0,1]=4 1404 B18R0.19788 C#CCCCC(=O)CCCCCCCCCCCC 1458a_100000690238_100000759014 [1,1,0,0,0,0|1,0,1]=4 1405 B18R0.19788 C#CCCCC(=O)CCCCCCCCCCCC 1458a_100011215791_100000731252 [1,1,0,0,0,0|1,0,1]=4 1406 B18R0.19788 C#CCCCC(=O)CCCCCCCCCCCO 1458a_100000690238_100009812471 [1,1,0,0,0,0|1,0,1]=4 1407 B18R0.19788 C#CCCCC(=O)NCCCCCCCCCCC 11a_200011215754_100000690238 [1,1,0,0,0,0|1,0,1]=4 1408 B18R0.19788 C#CCCCC(=O)NCCCCCCCCCCC 1626a_200011215754_100000690238 [1,1,0,0,0,0|1,0,1]=4 1409 B18R0.19788 C#CCCCC(=O)NCCCCCCCCCCC 240690a_200011215754_100000690238 [1,1,0,0,0,0|1,0,1]=4 1410 B18R0.19788 C#CCCCC(=O)NCCCCCCCCCCC 527a_200011215754_100000690238 [1,1,0,0,0,0|1,0,1]=4 1411 B18R0.19788 C=CCCCC(=O)CCCCCCC#CCCCC 1458a_100000766728_200000043322 [1,1,0,0,0,0|1,0,1]=4 1412 B18R0.19788 C=CCCCC(=O)NCCCCCCCCCCC 11a_200011215754_100000766728 [1,1,0,0,0,0|1,0,0]=3 1413 B18R0.19788 C=CCCCC(=O)NCCCCCCCCCCC 1626a_200011215754_100000766728 [1,1,0,0,0,0|1,0,0]=3 1414 B18R0.19788 C=CCCCC(=O)NCCCCCCCCCCC 240690a_200011215754_100000766728 [1,1,0,0,0,0|1,0,0]=3 1415 B18R0.19788 C=CCCCC(=O)NCCCCCCCCCCC 527a_200011215754_100000766728 [1,1,0,0,0,0|1,0,0]=3 1416 B18R0.19788 C=CCCCC(=O)NCCCCCCCCCCO 240690a_100000066964_100000766728 [1,1,0,0,0,0|2,0,0]=4 1417 B18R0.19788 C=CCCNC(=O)CCCCCCCCCCCC 11a_100015191253_100011215791 [1,1,0,0,0,0|2,0,0]=4 1418 B18R0.19788 C=CCCNC(=O)CCCCCCCCCCCC 1626a_100015191253_100011215791 [1,1,0,0,0,0|2,0,0]=4 1419 B18R0.19788 C=CCCNC(=O)CCCCCCCCCCCC 240690a_100015191253_100011215791 [1,1,0,0,0,0|2,0,0]=4 1420 B18R0.19788 C=CCCNC(=O)CCCCCCCCCCCO 240690a_100015191253_100000037981 [1,1,0,0,0,0|2,0,0]=4 1421 B18R0.19788 C=CCCNC(=O)NCCCCCCCCCCC 2708a_100015191253_200011215754 [1,1,0,0,0,0|2,0,0]=4 1422 B18R0.19788 C=CCCNC(=O)NCCCCCCCCCCC 2708a_200011215754_100015191253 [1,1,0,0,0,0|2,0,0]=4 1423 B18R0.19788 C=CCCNC(=O)NCCCCCCCCCCC 273464a_100015191253_200011215754 [1,1,0,0,0,0|2,0,0]=4 1424 B18R0.19788 C=CCCNC(=O)NCCCCCCCCCCC 273464a_200011215754_100015191253 [1,1,0,0,0,0|2,0,0]=4 1425 B18R0.19788 C=CCCNC(=O)NCCCCCCCCCCC 512a_100015191253_200011215754 [1,1,0,0,0,0|2,0,0]=4 1426 B18R0.19788 C=CCCNC(=O)NCCCCCCCCCCC 512a_200011215754_100015191253 [1,1,0,0,0,0|2,0,0]=4 1427 B18R0.19788 C=CCSCC(=O)NCCCCCCCCCCC 11a_200011215754_100000230395 [1,1,0,0,0,0|2,0,0]=4 1428 B18R0.19788 C=CCSCC(=O)NCCCCCCCCCCC 1626a_200011215754_100000230395 [1,1,0,0,0,0|2,0,0]=4 1429 B18R0.19788 C=CCSCC(=O)NCCCCCCCCCCC 240690a_200011215754_100000230395 [1,1,0,0,0,0|2,0,0]=4 1430 B18R0.19788 C=CCSCC(=O)NCCCCCCCCCCC 527a_200011215754_100000230395 [1,1,0,0,0,0|2,0,0]=4 1431 B18R0.19788 CCCCC#CCCCCCCC(=O)CCCCO 1458a_100000695505_200000043322 [1,1,0,0,0,0|0,0,2]=4 1432 B18R0.19788 CCCCCCCCCCCCC(=O)CCCC#N 1458a_100000075515_100000759014 [1,1,0,0,0,0|1,0,1]=4 1433 B18R0.19788 CCCCCCCCCCCCC(=O)CCCC#N 1458a_100011215791_100000211468 [1,1,0,0,0,0|1,0,1]=4 1434 B18R0.19788 CCCCCCCCCCCCC(=O)NCCCO 240690a_100000182051_100011215791 [1,1,0,0,0,0|1,0,1]=4 1435 B18R0.19788 CCCCCCCCCCCNC(=O)CCCC#N 11a_200011215754_100000075515 [1,1,0,0,0,0|1,0,1]=4 1436 B18R0.19788 CCCCCCCCCCCNC(=O)CCCC#N 1626a_200011215754_100000075515 [1,1,0,0,0,0|1,0,1]=4 1437 B18R0.19788 CCCCCCCCCCCNC(=O)CCCC#N 240690a_200011215754_100000075515 [1,1,0,0,0,0|1,0,1]=4 1438 B18R0.19788 CCCCCCCCCCCNC(=O)CCCC#N 527a_200011215754_100000075515 [1,1,0,0,0,0|1,0,1]=4 1439 B18R0.19788 CCCCCCCCCCCNC(=O)CCCCC 11a_200011215754_100000212188 [1,1,0,0,0,0|1,0,1]=4 1440 B18R0.19788 CCCCCCCCCCCNC(=O)CCCCC 1626a_200011215754_100000212188 [1,1,0,0,0,0|1,0,1]=4 1441 B18R0.19788 CCCCCCCCCCCNC(=O)CCCCC 240690a_200011215754_100000212188 [1,1,0,0,0,0|1,0,1]=4 1442 B18R0.19788 CCCCCCCCCCCNC(=O)CCCCC 527a_200011215754_100000212188 [1,1,0,0,0,0|1,0,1]=4 1443 B18R0.19788 CCCCCCCCCCCNC(=O)CCCCO 1626a_200011215754_100000695505 [1,1,0,0,0,0|0,0,1]=3 1444 B18R0.19788 CCCCCCCCCCCNC(=O)CCCOC 11a_200011215754_100000741012 [1,1,0,0,0,0|2,0,0]=4 1445 B18R0.19788 CCCCCCCCCCCNC(=O)CCCOC 1626a_200011215754_100000741012 [1,1,0,0,0,0|2,0,0]=4 1446 B18R0.19788 CCCCCCCCCCCNC(=O)CCCOC 240690a_200011215754_100000741012 [1,1,0,0,0,0|2,0,0]=4 1447 B18R0.19788 CCCCCCCCCCCNC(=O)CCCOC 527a_200011215754_100000741012 [1,1,0,0,0,0|2,0,0]=4 1448 B18R0.19788 CCCCCCCCCCCNC(=O)CCCSC 11a_200011215754_100000173376 [1,1,0,0,0,0|2,0,0]=4 1449 B18R0.19788 CCCCCCCCCCCNC(=O)CCCSC 1626a_200011215754_100000173376 [1,1,0,0,0,0|2,0,0]=4 1450 B18R0.19788 CCCCCCCCCCCNC(=O)CCCSC 240690a_200011215754_100000173376 [1,1,0,0,0,0|2,0,0]=4 1451 B18R0.19788 CCCCCCCCCCCNC(=O)CCCSC 527a_200011215754_100000173376 [1,1,0,0,0,0|2,0,0]=4 1452 B18R0.19788 CCCCCCCCCCCNC(=O)COCCO 1626a_200011215754_100000708028 [1,1,0,0,0,0|1,0,1]=4 1453 B18R0.19788 CCCCCCCCCCCNC(=O)COCCO 240690a_200011215754_100000708028 [1,1,0,0,0,0|1,0,1]=4 1454 B18R0.19788 CCCCCCCCCCCNC(=O)NCCCO 2708a_200011215754_100000182051 [1,1,0,0,0,0|1,0,1]=4 1455 B18R0.19788 CCCCCCCCCCCNC(=O)NCCCO 273464a_100000182051_200011215754 [1,1,0,0,0,0|1,0,1]=4 1456 B18R0.19788 CCCCCCCCCCCNC(=O)NCCCO 273464a_200011215754_100000182051 [1,1,0,0,0,0|1,0,1]=4 1457 B18R0.19788 CCCCCCCCCCCNC(=O)NCCCO 512a_200011215754_100000182051 [1,1,0,0,0,0|1,0,1]=4 1458 B18R0.19788 N#CCCCC(=O)CCCCCCCCCCCO 1458a_100000075515_100009812471 [1,1,0,0,0,0|1,0,1]=4 1459 B18R0.19788 O=C(CCCCCCCCCCCO)NCCCO 240690a_100000182051_100000037981 [1,1,0,0,0,0|1,0,1]=4 1460 B18R0.186 CCCCCCCCCCCC(=O)CC(=O)C(=O)C 1458a_100000210736_100011261029 [0,1,0,0,1,0|1,0,1]=4 1461 B18R0.186 CCCCCCCCCCCC(=O)CN(C)C(=O)C 1458a_100000194957_100011215454 [0,1,0,0,1,0|2,0,0]=4 1462 B18R0.186 CCCCCCCCCCCC(=O)CN(C)C(=O)N 1458a_100000218718_100011215454 [0,1,0,0,1,0|2,0,0]=4 1463 B18R0.186 CCCCCCCCCCCC(=O)N[C@@H](C)C(=O)C 1458a_100007851598_200000210301 [0,1,0,0,1,0|2,0,0]=4 1464 B18R0.186 CCCCCCCCCCCC(=O)N[C@@H](C)C(=O)[13CH3] 1458a_100007851598_200025704644 [0,1,0,0,1,0|2,0,0]=4 1465 B18R0.186 CCCCCCCCCCCC(=O)N[C@H](C)C(=O)N 11a_100000119354_100000210736 [0,1,0,0,1,0|2,0,0]=4 1466 B18R0.186 CCCCCCCCCCCC(=O)N[C@H](C)C(=O)N 240690a_100000119354_100000210736 [0,1,0,0,1,0|2,0,0]=4 1467 B18R0.186 CCCCCCCCCNCC(=O)N[C@@H](C)C(=O)O 269956a_100011417567_100000210670 [0,1,0,0,1,0|2,0,0]=4 1468 B18R0.6543 CCCCCCCCCCCC(=O)C(C)OC(=O)C 1458a_100000210736_100009818208 [0,1,0,0,1,0|2,0,0]=4 1469 B18R0.6543 CCCCCCCCCCCC(=O)N(C)CC(=O)C 1458a_100032006452_200000210301 [0,1,0,0,1,0|2,0,0]=4 1470 B18R0.6543 CCCCCCCCCCCC(=O)N(C)CC(=O)N 11a_100000739694_100000210736 [0,1,0,0,1,0|2,0,0]=4 1471 B18R0.6543 CCCCCCCCCCCC(=O)N(C)CC(=O)[13CH3] 1458a_100032006452_200025704644 [0,1,0,0,1,0|2,0,0]=4 1472 B18R0.6543 CCCCCCCCCCCC(=O)[C@@H](C)NC(=O)C 1458a_100011504603_100011215454 [0,1,0,0,1,0|2,0,0]=4 1473 B18R0.6543 CCCCCCCCCCCC(=O)[C@H](C)OC(=O)C 1458a_100009816467_100011215454 [0,1,0,0,1,0|2,0,0]=4 1474 B18R0.6543 CCCCCCCCCNCC(=O)N(C)CC(=O)O 269956a_100011216108_100000210670 [0,1,0,0,1,0|2,0,0]=4 1475 B18R0.7797 CCCCCCCCCCCC(=O)CCS(=O)(=O)C 1458a_100000210736_100000731031 [0,1,0,0,1,0|1,0,1]=4 1476 B18R0.7797 CCCCCCCCCCCC(=O)CCS(=O)(=O)C 1458a_100000737124_100011215454 [0,1,0,0,1,0|1,0,1]=4 1477 B18R0.7797 CCCCCCCCCCCC(=O)CCS(=O)(=O)N 1458a_100000737202_100011215454 [0,1,0,0,1,0|1,0,1]=4 1478 B18R0.7797 CCCCCCCCCCCC(=O)CCS(=O)(=O)[O-] 1458a_100000210736_100000762736 [0,1,0,0,1,0|1,0,1]=4 1479 B18R0.11636 CCCCCCCCCC(O)CC(=O)NCC(=O)N 240690a_100000711301_200012339438 [0,1,0,0,1,0|2,0,0]=4 1480 B18R0.19343 CCCCCCCC(C)NCCC(=O)NCC(=O)O 269956a_100000722369_200011218727 [0,1,0,0,1,0|2,0,0]=4 1481 B20R0.8490 CCCCCCCCCCCC(=O)NCCCS(=O)(=O)C 11a_100000742409_100000210736 [0,1,0,0,0,1|1,0,1]=4 1482 B20R0.8490 CCCCCCCCCCCC(=O)NCCCS(=O)(=O)C 1626a_100000742409_100000210736 [0,1,0,0,0,1|1,0,1]=4 1483 B20R0.8490 CCCCCCCCCCCC(=O)NCCCS(=O)(=O)C 240690a_100000742409_100000210736 [0,1,0,0,0,1|1,0,1]=4 1484 B20R0.10416 CCCCCCCCCCCC(=O)NCC(=O)CC(=O)N 1458a_100001278556_100000187820 [0,1,0,0,0,1|1,0,1]=4 1485 B20R0.10416 CCCCCCCCCCCC(=O)NCC(=O)CC(=O)[O-] 1458a_100001278556_100020667443 [0,1,0,0,0,1|0,0,2]=4 1486 B20R0.10416 CCCCCCCCCCCC(=O)OCC(=O)CC(=O)N 1458a_100134613110_100020644155 [0,1,0,0,0,1|1,0,1]=4 1487 B20R0.10416 CCCCCCCCCCCC(=O)OCN(C)CC(=O)N 2230a_100000739694_100020644155 [0,1,0,0,0,1|2,0,0]=4 1488 B20R0.10416 CCCCCCCCCCCC(=O)OCN(C)CC(=O)O 269956a_100000746989_100020644155 [0,1,0,0,0,1|1,0,0]=3 1489 B20R0.10421 C=CC(=O)NCCNC(=O)CCCCCCCCCCC 11a_114873766552_100000210736 [0,1,0,0,0,1|2,0,0]=4 1490 B20R0.10421 C=CC(=O)NCCNC(=O)CCCCCCCCCCC 1626a_114873766552_100000210736 [0,1,0,0,0,1|2,0,0]=4 1491 B20R0.10421 C=CCCCCCCCCCC(=O)CCCNC(=O)OC 1458a_100000753017_100009814027 [0,1,0,0,0,1|0,0,2]=4 1492 B20R0.10421 CCCCCCCCCC=CC(=O)CCCCC(=O)OC 1458a_200015352897_100000204269 [0,1,0,0,0,1|0,0,2]=4 1493 B20R0.10421 CCCCCCCCCC=CC(=O)CCOCC(=O)OC 1458a_200015352897_100000090808 [0,1,0,0,0,1|0,0,2]=4 1494 B20R0.10421 CCCCCCCCCC=CC(=O)NCCCC(=O)OC 188690a_100000184769_200015352897 [0,1,0,0,0,1|0,0,2]=4 1495 B20R0.10421 CCCCCCCCCCCC(=O)CCCNC(=O)OC 1458a_100000753017_100011215454 [0,1,0,0,0,1|0,0,0]=2 1496 B20R0.10421 CCCCCCCCCCCC(=O)NCCCC(=O)NC 11a_100000740002_100000210736 [0,1,0,0,0,1|1,0,0]=3 1497 B20R0.10421 CCCCCCCCCCCC(=O)NCCCC(=O)NC 240690a_100000740002_100000210736 [0,1,0,0,0,1|1,0,0]=3 1498 B20R0.10421 CCCCCCCCCCCC(=O)NCCCC(=O)OC 188690a_100000184769_100000210736 [0,1,0,0,0,1|0,0,0]=2 1499 B20R0.10421 CCCCCCCCCCCC(=O)NCCNC(=O)CC 11a_100132302217_100000210736 [0,1,0,0,0,1|2,0,0]=4 1500 B20R0.10421 CCCCCCCCCCCC(=O)NCCNC(=O)CC 1626a_100132302217_100000210736 [0,1,0,0,0,1|2,0,0]=4 1501 B20R0.10421 CCCCCCCCCCCC(=O)NCCNC(=O)CC 240690a_100132302217_100000210736 [0,1,0,0,0,1|2,0,0]=4 1502 B20R0.10421 CCCCCCCCCCCC(=O)NCCNC(=O)NC 11a_100015205895_100000210736 [0,1,0,0,0,1|2,0,0]=4 1503 B20R0.10421 CCCCCCCCCCCC(=O)NCCNC(=O)NC 240690a_100015205895_100000210736 [0,1,0,0,0,1|2,0,0]=4 1504 B20R0.10421 CCCCCCCCCCCC(=O)NN=CCC(=O)OC 4a_200011219152_200011552997 [0,1,0,0,0,1|1,0,1]=4 1505 B20R0.10421 CCCCCCCCCCCC(=O)OCNCC(=O)NC 2230a_100000693194_100020644155 [0,1,0,0,0,1|2,0,0]=4 1506 B20R0.10421 CCCCCCCCCCCC(=O)OCOCC(=O)NC 34a_100000750040_100020644155 [0,1,0,0,0,1|2,0,0]=4 1507 B20R0.10421 CCCCCCCCCCCC(=O)OCSCC(=O)NC 62a_100000183359_100020644155 [0,1,0,0,0,1|2,0,0]=4 1508 B20R0.10421 CCCCCCCCCCCC(=O)OCSCC(=O)OC 62a_100000747449_100020644155 [0,1,0,0,0,1|1,0,0]=3 1509 B20R0.10421 CCCCCCCCCCNC(=O)CCCCC(=O)OC 11a_100000684558_100000695723 [0,1,0,0,0,1|1,0,0]=3 1510 B20R0.10421 CCCCCCCCCCNC(=O)CCCCC(=O)OC 1626a_100000684558_100000695723 [0,1,0,0,0,1|1,0,0]=3 1511 B20R0.10421 CCCCCCCCCCNC(=O)CCCCC(=O)OC 240690a_100000684558_100000695723 [0,1,0,0,0,1|1,0,0]=3 1512 B20R0.10421 CCCCCCCCCCNC(=O)CCCCC(=O)OC 527a_100000684558_100000695723 [0,1,0,0,0,1|1,0,0]=3 1513 B20R0.10421 CCCCCCCCCCNC(=O)CCCNC(=O)OC 11a_100000684558_100000753017 [0,1,0,0,0,1|1,0,0]=3 1514 B20R0.10421 CCCCCCCCCCNC(=O)CCCNC(=O)OC 1626a_100000684558_100000753017 [0,1,0,0,0,1|1,0,0]=3 1515 B20R0.10421 CCCCCCCCCCNC(=O)CCCNC(=O)OC 240690a_100000684558_100000753017 [0,1,0,0,0,1|1,0,0]=3 1516 B20R0.10421 CCCCCCCCCCNC(=O)CCCNC(=O)OC 527a_100000684558_100000753017 [0,1,0,0,0,1|1,0,0]=3 1517 B20R0.10421 CCCCCCCCCCNC(=O)NCCCC(=O)NC 2708a_100000684558_100000740002 [0,1,0,0,0,1|2,0,0]=4 1518 B20R0.10421 CCCCCCCCCCNC(=O)NCCCC(=O)NC 2708a_100000740002_100000684558 [0,1,0,0,0,1|2,0,0]=4 1519 B20R0.10421 CCCCCCCCCCNC(=O)NCCCC(=O)NC 273464a_100000684558_100000740002 [0,1,0,0,0,1|2,0,0]=4 1520 B20R0.10421 CCCCCCCCCCNC(=O)NCCCC(=O)NC 273464a_100000740002_100000684558 [0,1,0,0,0,1|2,0,0]=4 1521 B20R0.10421 CCCCCCCCCCNC(=O)NCCCC(=O)NC 512a_100000684558_100000740002 [0,1,0,0,0,1|2,0,0]=4 1522 B20R0.10421 CCCCCCCCCCNC(=O)NCCCC(=O)NC 512a_100000740002_100000684558 [0,1,0,0,0,1|2,0,0]=4 1523 B20R0.10421 CCCCCCCCCCOC(=O)CNCCC(=O)NC 2230a_100000738227_100000210668 [0,1,0,0,0,1|2,0,0]=4 1524 B20R0.10421 CCCCCCCCCCOC(=O)CNCCC(=O)NC 34a_100000738227_100000210668 [0,1,0,0,0,1|2,0,0]=4 1525 B20R0.10421 CCCCCCCCCCOC(=O)COCCC(=NO)N 34a_100000749954_100000210668 [0,1,0,0,0,1|2,0,0]=4 1526 B20R0.10421 CCCCCCCCCCOC(=O)COCCC(=O)NC 34a_100000754576_100000210668 [0,1,0,0,0,1|2,0,0]=4 1527 B20R0.10421 CCCCCCCCCCOC(=O)CSCCC(=O)NC 62a_100000680656_100000737683 [0,1,0,0,0,1|2,0,0]=4 1528 B20R0.10421 CCCCCCCCCCOC(=O)CSCCC(=O)NC 62a_100000737683_100000680656 [0,1,0,0,0,1|2,0,0]=4 1529 B20R0.10421 CCCCCCCCCCOC(=O)CSCCC(=O)OC 62a_100000204255_100000680656 [0,1,0,0,0,1|1,0,0]=3 1530 B20R0.10421 CCCCCCCCCCOC(=O)CSCCC(=O)OC 62a_100000680656_100000204255 [0,1,0,0,0,1|1,0,0]=3 1531 B20R0.10421 CCCCCCCCCCOC(=O)CSCOC(=O)OC 62a_100000680656_100000139417 [0,1,0,0,0,1|2,0,0]=4 1532 B20R0.10421 CCCCCCCCCNCC(=O)NCCCC(=O)OC 2230a_100000212291_100000230218 [0,1,0,0,0,1|1,0,0]=3 1533 B20R0.10421 CCCCCCCCCNCC(=O)NCCCC(=O)OC 34a_100000212291_100000230218 [0,1,0,0,0,1|1,0,0]=3 1534 B20R0.10421 CCCCCCCCCOCC(=O)NCCCC(=O)OC 34a_100000210712_100000230218 [0,1,0,0,0,1|1,0,0]=3 1535 B20R0.10421 CCCCCCCCCOCC(=O)NCCCC(=O)OC 7a_100000210712_100000230218 [0,1,0,0,0,1|1,0,0]=3 1536 B20R0.10421 CCCCCCCCCSCC(=O)NCCCC(=O)OC 62a_100000230218_100000210670 [0,1,0,0,0,1|1,0,0]=3 1537 B20R0.10421 CCCCCCOCCOCC(=O)NCCCC(=O)OC 34a_100000691444_100000230218 [0,1,0,0,0,1|2,0,0]=4 1538 B20R0.10421 CCCCCCOCCOCC(=O)NCCCC(=O)OC 7a_100000691444_100000230218 [0,1,0,0,0,1|2,0,0]=4 1539 B20R0.10421 CCCCNCCCCOCC(=O)NCCCC(=O)OC 34a_200011216965_100000230218 [0,1,0,0,0,1|2,0,0]=4 1540 B20R0.10421 CCCCOCCCCOCC(=O)NCCCC(=O)OC 34a_200000760531_100000230218 [0,1,0,0,0,1|2,0,0]=4 1541 B20R0.10421 CCCCOCCCCOCC(=O)NCCCC(=O)OC 7a_200000760531_100000230218 [0,1,0,0,0,1|2,0,0]=4 1542 B20R0.10421 CNC(=O)CCCNC(=O)CCCCCCCCCCO 240690a_100000740002_200000016029 [0,1,0,0,0,1|2,0,0]=4 1543 B20R0.10421 COC(=O)CCCCC(=O)NCCCCCCCCCO 240690a_100000078944_100000695723 [0,1,0,0,0,1|2,0,0]=4 1544 B20R0.10421 COC(=O)CCCNC(=O)CCCCCCCCCCO 188690a_100000184769_200000016029 [0,1,0,0,0,1|1,0,0]=3 1545 B20R0.10421 COC(=O)CCCNC(=O)CNCCCCCCCCO 2230a_102515433106_100000230218 [0,1,0,0,0,1|2,0,0]=4 1546 B20R0.10421 COC(=O)CCCNC(=O)CNCCCCCCCCO 34a_102515433106_100000230218 [0,1,0,0,0,1|2,0,0]=4 1547 B20R0.10421 COC(=O)CCCNC(=O)COCCCCCCCCBr 34a_100009813846_100000230218 [0,1,0,0,0,1|2,0,0]=4 1548 B20R0.10421 COC(=O)CCCNC(=O)COCCCCCCCCBr 7a_100009813846_100000230218 [0,1,0,0,0,1|2,0,0]=4 1549 B20R0.10421 COC(=O)CCCNC(=O)COCCCCCCCCCl 34a_100000033203_100000230218 [0,1,0,0,0,1|2,0,0]=4 1550 B20R0.10421 COC(=O)CCCNC(=O)COCCCCCCCCCl 7a_100000033203_100000230218 [0,1,0,0,0,1|2,0,0]=4 1551 B20R0.10421 COC(=O)CCCNC(=O)COCCCCCCCCN 34a_102515433106_100000230218 [0,1,0,0,0,1|2,0,0]=4 1552 B20R0.10421 COC(=O)CCCNC(=O)CSCCCCCCCCO 62a_100000033203_100000230218 [0,1,0,0,0,1|2,0,0]=4 1553 B20R0.10421 COC(=O)CCCNC(=O)CSCCCCCCCCO 62a_100000230218_100000033203 [0,1,0,0,0,1|2,0,0]=4 1554 B20R0.10421 COC(=O)NCCCC(=O)CCCCCCCCCCO 1458a_100000753017_100009813290 [0,1,0,0,0,1|1,0,0]=3 1555 B20R0.10421 COC(=O)NCCCC(=O)NCCCCCCCCCO 240690a_100000078944_100000753017 [0,1,0,0,0,1|2,0,0]=4 1556 B20R0.10426 CCCCCCCCCCCC(=O)OCN[C@@H](C)C(=O)O 269956a_100000743915_100020644155 [0,1,0,0,0,1|1,0,0]=3 1557 B20R0.10426 CCCCCCCCCCCC(=O)OCN[C@H](C)C(=O)N 2230a_100000119354_100020644155 [0,1,0,0,0,1|2,0,0]=4 1558 B20R0.10426 CCCCCCCCCCCC(=O)OCN[C@H](C)C(=O)N 34a_100000119354_100020644155 [0,1,0,0,0,1|2,0,0]=4 1559 B20R0.10426 CCCCCCCCCCCC(=O)OCOC(C)C(=O)C 34a_100000212229_100020644155 [0,1,0,0,0,1|2,0,0]=4 1560 B20R0.10426 CCCCCCCCCCCC(=O)OCO[C@@H](C)C(=O)[O-] 7a_217856618621_100020644155 [0,1,0,0,0,1|1,0,1]=4 1561 B20R0.10426 CCCCCCCCCCCC(=O)OCO[C@H](C)C(=O)N 34a_100000731257_100020644155 [0,1,0,0,0,1|2,0,0]=4 1562 B20R0.10426 CCCCCCCCCCCC(=O)OCO[C@H](C)C(=O)N 7a_100000731257_100020644155 [0,1,0,0,0,1|2,0,0]=4 1563 B20R0.10426 CCCCCCCCCCCC(=O)OCSC(C)C(=O)C 62a_100009814033_100020644155 [0,1,0,0,0,1|2,0,0]=4 1564 B20R0.10426 CCCCCCCCCCCC(=O)OCSC(C)C(=O)N 62a_100000702099_100020644155 [0,1,0,0,0,1|2,0,0]=4 1565 B20R0.10426 CCCCCCCCCCCC(=O)OCSC(F)C(=O)N 62a_100009813875_100020644155 [0,1,0,0,0,1|2,0,0]=4 1566 B20R0.10426 CCCCCCCCCCCC(=O)OCSC(F)C(=O)[O-] 62a_100020610796_100020644155 [0,1,0,0,0,1|1,0,1]=4 1567 B20R0.10426 CCCCCCCCCCOC(=O)CNCC(C)C(=O)O 269956a_100000749485_100000210668 [0,1,0,0,0,1|1,0,0]=3 1568 B20R0.10426 CCCCCCCCCCOC(=O)CNCC(F)C(=O)O 269956a_100000084737_100000210668 [0,1,0,0,0,1|1,0,0]=3 1569 B20R0.10426 CCCCCCCCCCOC(=O)COCC(C)C(=O)C 34a_100000032740_100000210668 [0,1,0,0,0,1|2,0,0]=4 1570 B20R0.10426 CCCCCCCCCCOC(=O)COCC(C)C(=O)C 7a_100000032740_100000210668 [0,1,0,0,0,1|2,0,0]=4 1571 B20R0.10426 CCCCCCCCCCOC(=O)COC[C@H](N)C(=O)N 34a_100000729942_100000210668 [0,1,0,0,0,1|2,0,0]=4 1572 B20R0.10430 CCCCCCCCCCCC(=O)CC(C)CSC(=O)C 1458a_100000210736_200000116872 [0,1,0,0,0,1|1,0,0]=3 1573 B20R0.10430 CCCCCCCCCCOC(=O)CC(=O)CCC(=O)N 1458a_100011215257_100000210668 [0,1,0,0,0,1|2,0,0]=4 1574 B20R0.10430 CCCCCCCCCCOC(=O)CN(C)CCC(=O)N 2230a_100000730477_100000210668 [0,1,0,0,0,1|2,0,0]=4 1575 B20R0.16455 CCCCCCCCCCN(C)C(=O)CCCNC(=O)C 11a_100000207566_100000194741 [0,1,0,0,0,1|2,0,0]=4 1576 B20R0.16455 CCCCCCCCCCN(C)C(=O)CCCNC(=O)C 1626a_100000207566_100000194741 [0,1,0,0,0,1|2,0,0]=4 1577 B20R0.16455 CCCCCCCCCCN(C)C(=O)CCCNC(=O)C 240690a_100000207566_100000194741 [0,1,0,0,0,1|2,0,0]=4 1578 B20R0.16455 CCCCCCCCCCN(C)C(=O)CCCNC(=O)C 527a_100000207566_100000194741 [0,1,0,0,0,1|2,0,0]=4 1579 B20R0.16455 CCCCCCCCCCN(C)C(=O)CCSCC(=O)N 11a_100000207566_100000148550 [0,1,0,0,0,1|2,0,0]=4 1580 B20R0.16455 CCCCCCCCCCN(C)C(=O)CCSCC(=O)N 240690a_100000207566_100000148550 [0,1,0,0,0,1|2,0,0]=4 1581 B20R0.16455 CCCCCCCCCCN(C)C(=O)CCSCC(=O)N 527a_100000207566_100000148550 [0,1,0,0,0,1|2,0,0]=4 1582 B20R0.16455 CCCCCCCCCCN(C)C(=O)NCCCC(=O)N 273464a_100000739312_100000207566 [0,1,0,0,0,1|2,0,0]=4 1583 B20R0.22238 CC(=O)NCCCC(=O)NCCCCCCCCCCO 240690a_100000066964_100000194741 [0,1,0,0,0,1|2,0,0]=4 1584 B20R0.22238 CC(=O)NCCNC(=O)CCCCCCCCCCCO 240690a_100000209853_100000037981 [0,1,0,0,0,1|2,0,0]=4 1585 B20R0.22238 CC(=O)OCCNC(=O)CCCCCCCCCCCO 240690a_100000724843_100000037981 [0,1,0,0,0,1|2,0,0]=4 1586 B20R0.22238 CC(=O)SCCNC(=O)CCCCCCCCCCCO 240690a_100020647217_100000037981 [0,1,0,0,0,1|2,0,0]=4 1587 B20R0.22238 CCCCC#CCCCCCCC(=O)CCCNC(=O)C 1458a_100000194741_200000043322 [0,1,0,0,0,1|1,0,1]=4 1588 B20R0.22238 CCCCC#CCCCCCCC(=O)CCSCC(=O)N 1458a_100000148550_200000043322 [0,1,0,0,0,1|1,0,1]=4 1589 B20R0.22238 CCCCCCCCCCC=CC(=O)NCCCC(=O)N 240690a_100000739312_100015291182 [0,1,0,0,0,1|1,0,1]=4 1590 B20R0.22238 CCCCCCCCCCCCC(=O)NCCNC(=O)C 240690a_100000209853_100011215791 [0,1,0,0,0,1|2,0,0]=4 1591 B20R0.22238 CCCCCCCCCCCCC(=O)NCCNC(=O)N 240690a_100020590234_100011215791 [0,1,0,0,0,1|2,0,0]=4 1592 B20R0.22238 CCCCCCCCCCCCC(=O)NCCOC(=O)C 11a_100000724843_100011215791 [0,1,0,0,0,1|2,0,0]=4 1593 B20R0.22238 CCCCCCCCCCCCC(=O)NCCOC(=O)C 240690a_100000724843_100011215791 [0,1,0,0,0,1|2,0,0]=4 1594 B20R0.22238 CCCCCCCCCCCCC(=O)NCCSC(=O)C 11a_100020647217_100011215791 [0,1,0,0,0,1|2,0,0]=4 1595 B20R0.22238 CCCCCCCCCCCCC(=O)NCCSC(=O)C 240690a_100020647217_100011215791 [0,1,0,0,0,1|2,0,0]=4 1596 B20R0.22238 CCCCCCCCCCCNC(=O)CCCN=C(N)N 240690a_200011215754_100000034108 [0,1,0,0,0,1|2,0,0]=4 1597 B20R0.22238 CCCCCCCCCCCNC(=O)CCCNC(=O)C 11a_200011215754_100000194741 [0,1,0,0,0,1|1,0,0]=3 1598 B20R0.22238 CCCCCCCCCCCNC(=O)CCCNC(=O)C 1626a_200011215754_100000194741 [0,1,0,0,0,1|1,0,0]=3 1599 B20R0.22238 CCCCCCCCCCCNC(=O)CCCNC(=O)C 240690a_200011215754_100000194741 [0,1,0,0,0,1|1,0,0]=3 1600 B20R0.22238 CCCCCCCCCCCNC(=O)CCCNC(=O)C 527a_200011215754_100000194741 [0,1,0,0,0,1|1,0,0]=3 1601 B20R0.22238 CCCCCCCCCCCNC(=O)NCCCC(=O)N 273464a_100000739312_200011215754 [0,1,0,0,0,1|1,0,0]=3 1602 B20R0.22238 CCCCCCCCCCCNC(=O)NCCCC(=O)N 273464a_200011215754_100000739312 [0,1,0,0,0,1|1,0,0]=3 1603 B20R0.22238 CCCCCCCCCCCNC(=O)NCCCC(=O)N 512a_100000739312_200011215754 [0,1,0,0,0,1|1,0,0]=3 1604 B20R0.22238 CCCCCCCCCCCNC(=O)NCCCC(=O)N 512a_200011215754_100000739312 [0,1,0,0,0,1|1,0,0]=3 1605 B20R0.22238 CCCCCCCCCCCNC(=O)NCCCS(=O)C 2708a_200000753449_200011215754 [0,1,0,0,0,1|2,0,0]=4 1606 B20R0.22238 CCCCCCCCCCCNC(=O)NCCCS(=O)C 2708a_200011215754_200000753449 [0,1,0,0,0,1|2,0,0]=4 1607 B20R0.22238 CCCCCCCCCCCNC(=O)NCCCS(=O)C 273464a_200000753449_200011215754 [0,1,0,0,0,1|2,0,0]=4 1608 B20R0.22238 CCCCCCCCCCCNC(=O)NCCCS(=O)C 273464a_200011215754_200000753449 [0,1,0,0,0,1|2,0,0]=4 1609 B20R0.22238 CCCCCCCCCCCNC(=O)NCCCS(=O)C 512a_200000753449_200011215754 [0,1,0,0,0,1|2,0,0]=4 1610 B20R0.22238 CCCCCCCCCCCNC(=O)NCCCS(=O)C 512a_200011215754_200000753449 [0,1,0,0,0,1|2,0,0]=4 1611 B20R0.22238 CCCCCCCCCCCNC(=O)NCCNC(=O)C 2708a_100000209853_200011215754 [0,1,0,0,0,1|2,0,0]=4 1612 B20R0.22238 CCCCCCCCCCCNC(=O)NCCNC(=O)C 2708a_200011215754_100000209853 [0,1,0,0,0,1|2,0,0]=4 1613 B20R0.22238 CCCCCCCCCCCNC(=O)NCCNC(=O)C 273464a_100000209853_200011215754 [0,1,0,0,0,1|2,0,0]=4 1614 B20R0.22238 CCCCCCCCCCCNC(=O)NCCNC(=O)C 273464a_200011215754_100000209853 [0,1,0,0,0,1|2,0,0]=4 1615 B20R0.22238 CCCCCCCCCCCNC(=O)NCCNC(=O)C 512a_100000209853_200011215754 [0,1,0,0,0,1|2,0,0]=4 1616 B20R0.22238 CCCCCCCCCCCNC(=O)NCCNC(=O)C 512a_200011215754_100000209853 [0,1,0,0,0,1|2,0,0]=4 1617 B20R0.22238 CCCCCCCCCCCNC(=O)NCCNC(=O)N 2708a_200011215754_100020590234 [0,1,0,0,0,1|2,0,0]=4 1618 B20R0.22238 CCCCCCCCCCCNC(=O)NCCNC(=O)N 273464a_100020590234_200011215754 [0,1,0,0,0,1|2,0,0]=4 1619 B20R0.22238 CCCCCCCCCCCNC(=O)NCCNC(=O)N 273464a_200011215754_100020590234 [0,1,0,0,0,1|2,0,0]=4 1620 B20R0.22238 CCCCCCCCCCCNC(=O)NCCNC(=O)N 512a_100020590234_200011215754 [0,1,0,0,0,1|2,0,0]=4 1621 B20R0.22238 CCCCCCCCCCCNC(=O)NCCNC(=O)N 512a_200011215754_100020590234 [0,1,0,0,0,1|2,0,0]=4 1622 B20R0.22238 CCCCCCCCCCCNC(=O)NCCOC(=O)C 2708a_200011215754_100000724843 [0,1,0,0,0,1|2,0,0]=4 1623 B20R0.22238 CCCCCCCCCCCNC(=O)NCCOC(=O)C 273464a_100000724843_200011215754 [0,1,0,0,0,1|2,0,0]=4 1624 B20R0.22238 CCCCCCCCCCCNC(=O)NCCOC(=O)C 273464a_200011215754_100000724843 [0,1,0,0,0,1|2,0,0]=4 1625 B20R0.22238 CCCCCCCCCCCNC(=O)NCCOC(=O)C 512a_100000724843_200011215754 [0,1,0,0,0,1|2,0,0]=4 1626 B20R0.22238 CCCCCCCCCCCNC(=O)NCCOC(=O)C 512a_200011215754_100000724843 [0,1,0,0,0,1|2,0,0]=4 1627 B20R0.22238 CCCCCCCCCCCNC(=O)NCCSC(=O)C 2708a_100020647217_200011215754 [0,1,0,0,0,1|2,0,0]=4 1628 B20R0.22238 CCCCCCCCCCCNC(=O)NCCSC(=O)C 2708a_200011215754_100020647217 [0,1,0,0,0,1|2,0,0]=4 1629 B20R0.22238 CCCCCCCCCCCNC(=O)NCCSC(=O)C 273464a_100020647217_200011215754 [0,1,0,0,0,1|2,0,0]=4 1630 B20R0.22238 CCCCCCCCCCCNC(=O)NCCSC(=O)C 273464a_200011215754_100020647217 [0,1,0,0,0,1|2,0,0]=4 1631 B20R0.22238 CCCCCCCCCCCNC(=O)NCCSC(=O)C 512a_100020647217_200011215754 [0,1,0,0,0,1|2,0,0]=4 1632 B20R0.22238 CCCCCCCCCCCNC(=O)NCCSC(=O)C 512a_200011215754_100020647217 [0,1,0,0,0,1|2,0,0]=4 1633 B20R0.22238 NC(=O)CCCNC(=O)NCCCCCCCCCCO 273464a_100000066964_100000739312 [0,1,0,0,0,1|2,0,0]=4 1634 B20R0.22238 NC(=O)CCCNC(=O)NCCCCCCCCCCO 273464a_100000739312_100000066964 [0,1,0,0,0,1|2,0,0]=4 1635 B20R0.22238 NC(=O)CCCNC(=O)NCCCCCCCCCCO 512a_100000066964_100000739312 [0,1,0,0,0,1|2,0,0]=4 1636 B20R0.22238 NC(=O)CCCNC(=O)NCCCCCCCCCCO 512a_100000739312_100000066964 [0,1,0,0,0,1|2,0,0]=4 1637 B20R0.22238 NC(=O)NCCNC(=O)CCCCCCCCCCCO 240690a_100020590234_100000037981 [0,1,0,0,0,1|2,0,0]=4 1638 B20R0.32054 CCCCCCCCCC(O)CC(=O)NCCCC(=O)N 240690a_100000739312_200012339438 [0,1,0,0,0,1|1,0,0]=3 1639 B20R0.32054 CCCCCCCCCC(O)CC(=O)NCCCS(=O)C 240690a_200000753449_200012339438 [0,1,0,0,0,1|2,0,0]=4 1640 B20R0.32054 CCCCCCCCCC(O)CC(=O)NCCNC(=O)C 240690a_100000209853_200012339438 [0,1,0,0,0,1|2,0,0]=4 1641 B20R0.32054 CCCCCCCCCC(O)CC(=O)NCCNC(=O)N 240690a_100020590234_200012339438 [0,1,0,0,0,1|2,0,0]=4 1642 B20R0.32054 CCCCCCCCCC(O)CC(=O)NCCOC(=O)C 240690a_100000724843_200012339438 [0,1,0,0,0,1|2,0,0]=4 1643 B20R0.32054 CCCCCCCCCC(O)CC(=O)NCCSC(=O)C 240690a_100020647217_200012339438 [0,1,0,0,0,1|2,0,0]=4 1644 B20R0.8484 C=CCCCCCCCCCC(=O)CC(C)CC(=O)OC 1458a_100000732146_100009814027 [0,2,0,0,0,0|0,0,2]=4 1645 B20R0.8484 CCCCCCCCCCCC(=O)CC(=O)NC(=O)OC 1458a_100000210736_100000010850 [0,2,0,0,0,0|1,0,1]=4 1646 B20R0.8484 CCCCCCCCCCCC(=O)CC(C)CC(=O)OC 1458a_100000732146_100011215454 [0,2,0,0,0,0|0,0,0]=2 1647 B20R0.8484 CCCCCCCCCCCC(=O)N[C@H](C)CC(=O)OC 188690a_100016994721_100000210736 [0,2,0,0,0,0|1,0,0]=3 1648 B20R0.8484 CCCCCCCCCCNC(=O)CC(C)CC(=O)OC 11a_100000684558_100000732146 [0,2,0,0,0,0|1,0,0]=3 1649 B20R0.8484 CCCCCCCCCCNC(=O)CC(C)CC(=O)OC 1626a_100000684558_100000732146 [0,2,0,0,0,0|1,0,0]=3 1650 B20R0.8484 CCCCCCCCCCNC(=O)CC(C)CC(=O)OC 240690a_100000684558_100000732146 [0,2,0,0,0,0|1,0,0]=3 1651 B20R0.8484 CCCCCCCCCCNC(=O)CC(C)CC(=O)OC 527a_100000684558_100000732146 [0,2,0,0,0,0|1,0,0]=3 1652 B20R0.8484 CCCCCCCCCCOC(=O)CC(=O)CC(=O)OC 1458a_100000211351_100000210668 [0,2,0,0,0,0|1,0,1]=4 1653 B20R0.8484 CCCCCCCCCCOC(=O)CN(C)CC(=O)OC 2230a_100000198492_100000210668 [0,2,0,0,0,0|2,0,0]=4 1654 B20R0.8484 COC(=O)CC(C)CC(=O)CCCCCCCCCCO 1458a_100000732146_100009813290 [0,2,0,0,0,0|1,0,0]=3 1655 B20R0.8484 COC(=O)CC(C)CC(=O)NCCCCCCCCCO 240690a_100000078944_100000732146 [0,2,0,0,0,0|2,0,0]=4 1656 B20R0.8484 COC(=O)C[C@@H](C)NC(=O)CCCCCCCCCCO 188690a_100016994721_200000016029 [0,2,0,0,0,0|2,0,0]=4 1657 B20R0.8496 CCCCCCCCCCCC(=O)CC(O)CS(=O)(=O)[O-] 1458a_100000210736_100016993520 [0,2,0,0,0,0|1,0,1]=4 1658 B20R0.28385 CCCCCCCCCCOC(=O)CN(CC)CC(=O)O 269956a_100000746405_100000210668 [0,2,0,0,0,0|2,0,0]=4 1659 B20R0.28387 CCCCCCCCCCOC(=O)CN(C)C(C)C(=O)O 269956a_100000749554_100000210668 [0,2,0,0,0,0|2,0,0]=4 1660 B20R0.113806 CCCCCCCCCCCC(=O)NC(C)(C)CC(=O)N 11a_100000763158_100000210736 [0,2,0,0,0,0|2,0,0]=4 1661 B20R0.113806 CCCCCCCCCCCC(=O)NC(C)(C)CC(=O)N 1626a_100000763158_100000210736 [0,2,0,0,0,0|2,0,0]=4 1662 B20R0.113806 CCCCCCCCCCCC(=O)NC(C)(C)CC(=O)N 240690a_100000763158_100000210736 [0,2,0,0,0,0|2,0,0]=4 1663 B20R0.428 CCOC(=O)CCCCCCCC(=O)CCCC(=O)OC 1458a_100000239890_100009991516 [0,2,0,0,0,0|1,0,1]=4 1664 B20R0.34 CCOC(=O)CCCCCCCCC(=O)CCCC(=O)C 1458a_200000016031_100011215641 [0,2,0,0,0,0|1,0,1]=4 1665 B20R0.34 CCOC(=O)CCCCCCCCC(=O)CCCC(=O)N 1458a_200000016031_100102525003 [0,2,0,0,0,0|1,0,1]=4 1666 B20R0.111 CC(=O)N(C)CCC(=O)CCCCCCCCCCCO 1458a_100011216537_100009812471 [0,2,0,0,0,0|2,0,0]=4 1667 B20R0.111 CCCCCCCCCCCCC(=O)CCN(C)C(=O)C 1458a_100011216537_100000759014 [0,2,0,0,0,0|2,0,0]=4 1668 B20R0.111 CCCCCCCCCCCNC(=O)CCN(C)C(=O)C 11a_200011215754_100011216537 [0,2,0,0,0,0|2,0,0]=4 1669 B20R0.111 CCCCCCCCCCCNC(=O)CCN(C)C(=O)C 1626a_200011215754_100011216537 [0,2,0,0,0,0|2,0,0]=4 1670 B20R0.111 CCCCCCCCCCCNC(=O)CCN(C)C(=O)C 240690a_200011215754_100011216537 [0,2,0,0,0,0|2,0,0]=4 1671 B20R0.138 CCCCCCCCCCCCNC(=O)CCNC(=O)C 11a_100000210451_100000183196 [0,2,0,0,0,0|2,0,0]=4 1672 B20R0.138 CCCCCCCCCCCCNC(=O)CCNC(=O)C 1626a_100000210451_100000183196 [0,2,0,0,0,0|2,0,0]=4 1673 B20R0.138 CCCCCCCCCCCCNC(=O)CCNC(=O)C 240690a_100000210451_100000183196 [0,2,0,0,0,0|2,0,0]=4 1674 B20R0.138 CCCCCCCCCCCCNC(=O)CCNC(=O)C 527a_100000210451_100000183196 [0,2,0,0,0,0|2,0,0]=4 1675 B20R0.138 CCCCCCCCCCCCNC(=O)CCNC(=O)N 240690a_100000210451_100000181464 [0,2,0,0,0,0|2,0,0]=4 1676 B20R0.138 CCCCCCCCCCCCNC(=O)CCNC(=O)N 527a_100000210451_100000181464 [0,2,0,0,0,0|2,0,0]=4 1677 B20R0.138 CCCCCCCCCCCCNC(=O)CCSC(=O)C 1626a_100000210451_100000048949 [0,2,0,0,0,0|2,0,0]=4 1678 B20R0.138 CCCCCCCCCCCCNC(=O)CCSC(=O)C 240690a_100000210451_100000048949 [0,2,0,0,0,0|2,0,0]=4 1679 B20R0.138 CCCCCCCCCCCCNC(=O)NCCC(=O)N 2708a_100000210451_100000740010 [0,2,0,0,0,0|2,0,0]=4 1680 B20R0.138 CCCCCCCCCCCCNC(=O)NCCC(=O)N 273464a_100000210451_100000740010 [0,2,0,0,0,0|2,0,0]=4 1681 B20R0.138 CCCCCCCCCCCCNC(=O)NCCC(=O)N 273464a_100000740010_100000210451 [0,2,0,0,0,0|2,0,0]=4 1682 B20R0.138 CCCCCCCCCCCCNC(=O)NCCC(=O)N 512a_100000210451_100000740010 [0,2,0,0,0,0|2,0,0]=4 1683 B20R0.3022 COC(=O)CCCCCCCCCC(=O)CCCC(=O)C 1458a_100009997464_100011215641 [0,2,0,0,0,0|1,0,1]=4 1684 B20R0.3022 COC(=O)CCCCCCCCCC(=O)CCCC(=O)N 1458a_100009997464_100102525003 [0,2,0,0,0,0|1,0,1]=4 1685 B20R0.22235 C=CC(=O)OCCC(=O)NCCCCCCCCCCC 240690a_200011215754_100000065099 [0,2,0,0,0,0|2,0,0]=4 1686 B20R0.22235 C=CCCCCCCCCCNC(=O)CCCC(=O)OC 11a_100000081888_100000239890 [0,2,0,0,0,0|0,0,2]=4 1687 B20R0.22235 C=CCCCCCCCCCNC(=O)CCCC(=O)OC 1626a_100000081888_100000239890 [0,2,0,0,0,0|0,0,2]=4 1688 B20R0.22235 C=CCCCCCCCCCNC(=O)CCCC(=O)OC 240690a_100000081888_100000239890 [0,2,0,0,0,0|0,0,2]=4 1689 B20R0.22235 C=CCCCCCCCCCNC(=O)CCCC(=O)OC 527a_100000081888_100000239890 [0,2,0,0,0,0|0,0,2]=4 1690 B20R0.22235 CCCCC#CCCCCCCC(=O)CCCC(=O)OC 1458a_100000239890_200000043322 [0,2,0,0,0,0|0,0,1]=3 1691 B20R0.22235 CCCCC#CCCCCCCC(=O)CSCC(=O)OC 1458a_100000191316_200000043322 [0,2,0,0,0,0|1,0,1]=4 1692 B20R0.22235 CCCCCCCCCCC=CC(=O)NCCC(=O)OC 188690a_100000683876_100015291182 [0,2,0,0,0,0|1,0,1]=4 1693 B20R0.22235 CCCCCCCCCCCCC(=O)CCOC(=O)NC 1458a_100011215791_200011997002 [0,2,0,0,0,0|2,0,0]=4 1694 B20R0.22235 CCCCCCCCCCCCC(=O)NCCC(=O)NC 11a_100000738227_100011215791 [0,2,0,0,0,0|2,0,0]=4 1695 B20R0.22235 CCCCCCCCCCCCC(=O)NCCC(=O)NC 240690a_100000738227_100011215791 [0,2,0,0,0,0|2,0,0]=4 1696 B20R0.22235 CCCCCCCCCCCCC(=O)NCCC(=O)OC 188690a_100000683876_100011215791 [0,2,0,0,0,0|1,0,0]=3 1697 B20R0.22235 CCCCCCCCCCCNC(=O)CCCC(=O)OC 11a_200011215754_100000239890 [0,2,0,0,0,0|0,0,0]=2 1698 B20R0.22235 CCCCCCCCCCCNC(=O)CCCC(=O)OC 1626a_200011215754_100000239890 [0,2,0,0,0,0|0,0,0]=2 1699 B20R0.22235 CCCCCCCCCCCNC(=O)CCCC(=O)OC 240690a_200011215754_100000239890 [0,2,0,0,0,0|0,0,0]=2 1700 B20R0.22235 CCCCCCCCCCCNC(=O)CCCC(=O)OC 527a_200011215754_100000239890 [0,2,0,0,0,0|0,0,0]=2 1701 B20R0.22235 CCCCCCCCCCCNC(=O)CSCC(=O)OC 11a_200011215754_100000191316 [0,2,0,0,0,0|1,0,0]=3 1702 B20R0.22235 CCCCCCCCCCCNC(=O)CSCC(=O)OC 1626a_200011215754_100000191316 [0,2,0,0,0,0|1,0,0]=3 1703 B20R0.22235 CCCCCCCCCCCNC(=O)CSCC(=O)OC 240690a_200011215754_100000191316 [0,2,0,0,0,0|1,0,0]=3 1704 B20R0.22235 CCCCCCCCCCCNC(=O)NCCC(=O)NC 2708a_200011215754_100000738227 [0,2,0,0,0,0|2,0,0]=4 1705 B20R0.22235 CCCCCCCCCCCNC(=O)NCCC(=O)NC 273464a_100000738227_200011215754 [0,2,0,0,0,0|2,0,0]=4 1706 B20R0.22235 CCCCCCCCCCCNC(=O)NCCC(=O)NC 273464a_200011215754_100000738227 [0,2,0,0,0,0|2,0,0]=4 1707 B20R0.22235 CCCCCCCCCCCNC(=O)NCCC(=O)NC 512a_100000738227_200011215754 [0,2,0,0,0,0|2,0,0]=4 1708 B20R0.22235 CCCCCCCCCCCNC(=O)NCCC(=O)NC 512a_200011215754_100000738227 [0,2,0,0,0,0|2,0,0]=4 1709 B20R0.22235 CCCCCCCCCCNCC(=O)NCCC(=O)OC 2230a_100000684558_100000230212 [0,2,0,0,0,0|1,0,0]=3 1710 B20R0.22235 CCCCCCCCCCNCC(=O)NCCC(=O)OC 34a_100000684558_100000230212 [0,2,0,0,0,0|1,0,0]=3 1711 B20R0.22235 CCCCCCCCCCOCC(=O)NCCC(=O)OC 34a_100000210711_100000230212 [0,2,0,0,0,0|1,0,0]=3 1712 B20R0.22235 CCCCCCCCCCOCC(=O)NCCC(=O)OC 7a_100000210711_100000230212 [0,2,0,0,0,0|1,0,0]=3 1713 B20R0.22235 CCCCCCCCCCSCC(=O)NCCC(=O)OC 62a_100000230212_100000210320 [0,2,0,0,0,0|1,0,0]=3 1714 B20R0.22235 CNC(=O)CCNC(=O)CCCCCCCCCCCO 240690a_100000738227_100000037981 [0,2,0,0,0,0|2,0,0]=4 1715 B20R0.22235 COC(=O)CCCC(=O)NCCCCCCCCCCO 240690a_100000066964_100000239890 [0,2,0,0,0,0|1,0,0]=3 1716 B20R0.22235 COC(=O)CCNC(=O)CCCCCCCCCCCO 188690a_100000683876_100000037981 [0,2,0,0,0,0|1,0,0]=3 1717 B20R0.22235 COC(=O)CCNC(=O)CNCCCCCCCCCO 2230a_100000078944_100000230212 [0,2,0,0,0,0|2,0,0]=4 1718 B20R0.22235 COC(=O)CCNC(=O)CNCCCCCCCCCO 34a_100000078944_100000230212 [0,2,0,0,0,0|2,0,0]=4 1719 B20R0.22235 COC(=O)CCNC(=O)COCCCCCCCCCBr 34a_100009813782_100000230212 [0,2,0,0,0,0|2,0,0]=4 1720 B20R0.22235 COC(=O)CCNC(=O)COCCCCCCCCCBr 7a_100009813782_100000230212 [0,2,0,0,0,0|2,0,0]=4 1721 B20R0.22235 COC(=O)CCNC(=O)COCCCCCCCCCCl 34a_100009868337_100000230212 [0,2,0,0,0,0|2,0,0]=4 1722 B20R0.22235 COC(=O)CCNC(=O)COCCCCCCCCCCl 7a_100009868337_100000230212 [0,2,0,0,0,0|2,0,0]=4 1723 B20R0.22235 COC(=O)CCNC(=O)COCCCCCCCCCN 34a_100000078944_100000230212 [0,2,0,0,0,0|2,0,0]=4 1724 B20R0.22235 COC(=O)CCNC(=O)CSCCCCCCCCCO 62a_100000230212_100009813782 [0,2,0,0,0,0|2,0,0]=4 1725 B20R0.22235 COC(=O)CCNC(=O)CSCCCCCCCCCO 62a_100009813782_100000230212 [0,2,0,0,0,0|2,0,0]=4 1726 B20R0.22235 COC(=O)CSCC(=O)NCCCCCCCCCCO 240690a_100000066964_100000191316 [0,2,0,0,0,0|2,0,0]=4 1727 B20R0.22244 CCCCCCCCCCCNC(=O)CCCS(=O)(=O)N 240690a_200011215754_100000739357 [0,2,0,0,0,0|1,0,1]=4 1728 B20R0.28260 CC(=O)SC[C@@H](C)C(=O)CCCCCCCCCCCO 1458a_200015407212_100009812471 [0,2,0,0,0,0|2,0,0]=4 1729 B20R0.28260 CCCCCCCCCCCCC(=O)N(C)CCC(=O)N 11a_100000730477_100011215791 [0,2,0,0,0,0|2,0,0]=4 1730 B20R0.28260 CCCCCCCCCCCCC(=O)N(C)CCC(=O)N 240690a_100000730477_100011215791 [0,2,0,0,0,0|2,0,0]=4 1731 B20R0.28260 CCCCCCCCCCCCC(=O)[C@H](C)CSC(=O)C 1458a_200015407212_100000759014 [0,2,0,0,0,0|2,0,0]=4 1732 B20R0.28260 CCCCCCCCCCCNC(=O)N(C)CCC(=O)N 2708a_200011215754_100000730477 [0,2,0,0,0,0|2,0,0]=4 1733 B20R0.28260 CCCCCCCCCCCNC(=O)N(C)CCC(=O)N 273464a_200011215754_100000730477 [0,2,0,0,0,0|2,0,0]=4 1734 B20R0.28260 CCCCCCCCCCCNC(=O)[C@H](C)CSC(=O)C 11a_200011215754_200015407212 [0,2,0,0,0,0|2,0,0]=4 1735 B20R0.28260 CCCCCCCCCCCNC(=O)[C@H](C)CSC(=O)C 1626a_200011215754_200015407212 [0,2,0,0,0,0|2,0,0]=4 1736 B20R0.28260 CCCCCCCCCCCNC(=O)[C@H](C)CSC(=O)C 240690a_200011215754_200015407212 [0,2,0,0,0,0|2,0,0]=4 1737 B20R0.28260 CCCCCCCCCCCNC(=O)[C@H](C)CSC(=O)C 527a_200011215754_200015407212 [0,2,0,0,0,0|2,0,0]=4 1738 B20R0.28260 CN(CCC(=O)N)C(=O)CCCCCCCCCCCO 240690a_100000730477_100000037981 [0,2,0,0,0,0|2,0,0]=4 1739 B20R0.26207 COC(=O)CCNC(=O)COCCCCCCCC(C)C 34a_200000210741_100000230212 [0,2,0,0,0,0|2,0,0]=4 1740 B20R0.26207 COC(=O)CCNC(=O)COCCCCCCCC(C)C 7a_200000210741_100000230212 [0,2,0,0,0,0|2,0,0]=4 1741 B20R0.18538 COC(=O)CCCCCCCCC(=O)CCCC(=O)OC 1458a_100000036616_100011218270 [0,2,0,0,0,0|1,0,1]=4 1742 B20R0.18538 COC(=O)CCCCCCCCC(=O)CCCC(=O)OC 1458a_100000239890_100010282707 [0,2,0,0,0,0|1,0,1]=4 1743 B20R0.32057 CCCCCCCCCC(O)CC(=O)N(C)CCC(=O)N 240690a_100000730477_200012339438 [0,2,0,0,0,0|2,0,0]=4 1744 B20R0.32062 CCCCCCCCCC(=O)CC(=O)NCCC(=O)OC 1458a_100000210558_100000230212 [0,2,0,0,0,0|1,0,1]=4 1745 B20R0.32062 CCCCCCCCCC(O)CC(=O)NCCC(=O)NC 240690a_100000738227_200012339438 [0,2,0,0,0,0|2,0,0]=4 1746 B20R0.32062 CCCCCCCCCC(O)CC(=O)NCCC(=O)OC 188690a_100000683876_200012339438 [0,2,0,0,0,0|1,0,0]=3 1747 B20R0.32062 CCCCCCCCCN(C)CC(=O)NCCC(=O)OC 2230a_100000232482_100000230212 [0,2,0,0,0,0|2,0,0]=4 1748 B20R0.32062 CCCCCCCCCN(C)CC(=O)NCCC(=O)OC 269982a_100000232482_100000230212 [0,2,0,0,0,0|2,0,0]=4 1749 B20R0.3599 CCCCC(C)CCCCOCC(=O)NCCC(=O)OC 34a_200011021034_100000230212 [0,2,0,0,0,0|2,0,0]=4 1750 B20R0.3599 CCCCC(C)CCCCOCC(=O)NCCC(=O)OC 7a_200011021034_100000230212 [0,2,0,0,0,0|2,0,0]=4 1751 B20R0.8497 CCCCCCCCCC=CC(=O)CCC(C)C(=O)OC 1458a_200015352897_100000034942 [0,2,0,0,0,0|0,0,2]=4 1752 B20R0.8497 CCCCCCCCCCCC(=O)CCC(C)C(=O)OC 1458a_100000210736_100000034942 [0,2,0,0,0,0|0,0,0]=2 1753 B20R0.8497 CCCCCCCCCCCC(=O)NCC(C)C(=O)NC 11a_100015187722_100000210736 [0,2,0,0,0,0|2,0,0]=4 1754 B20R0.8497 CCCCCCCCCCCC(=O)NCC(C)C(=O)NC 240690a_100015187722_100000210736 [0,2,0,0,0,0|2,0,0]=4 1755 B20R0.8497 CCCCCCCCCCCC(=O)NCC(O)C(=O)OC 188690a_100000695228_100000210736 [0,2,0,0,0,0|1,0,0]=3 1756 B20R0.8497 CCCCCCCCCCOC(=O)COC(C)C(=O)OC 34a_100011215400_100000210668 [0,2,0,0,0,0|2,0,0]=4 1757 B20R0.8497 CCCCCCCCCCOC(=O)CSC(C)C(=O)OC 62a_100000211248_100000680656 [0,2,0,0,0,0|2,0,0]=4 1758 B20R0.8497 CCCCCCCCCCOC(=O)CSC(C)C(=O)OC 62a_100000680656_100000211248 [0,2,0,0,0,0|2,0,0]=4 1759 B20R0.8497 COC(=O)C(O)CNC(=O)CCCCCCCCCCO 188690a_100000695228_200000016029 [0,2,0,0,0,0|2,0,0]=4 1760 B20R0.10432 C#CCC(=O)CCOC(=O)CCCCCCCCCCC 1458a_100011220946_100000091854 [0,2,0,0,0,0|2,0,0]=4 1761 B20R0.10432 C=COC(=O)CSCC(=O)OCCCCCCCCCC 62a_100000036128_100000680656 [0,2,0,0,0,0|2,0,0]=4 1762 B20R0.10432 C=COC(=O)CSCC(=O)OCCCCCCCCCC 62a_100000680656_100000036128 [0,2,0,0,0,0|2,0,0]=4 1763 B20R0.10432 CC#CC(=O)CCOC(=O)CCCCCCCCCCC 1458a_100000763181_100000091854 [0,2,0,0,0,0|2,0,0]=4 1764 B20R0.10432 CC=CC(=O)CCOC(=O)CCCCCCCCCCC 1458a_100000210699_100000091854 [0,2,0,0,0,0|2,0,0]=4 1765 B20R0.10432 CCCCCCCCCC=CC(=O)CCCC(=O)OCC 1458a_200015352897_100011215271 [0,2,0,0,0,0|0,0,2]=4 1766 B20R0.10432 CCCCCCCCCCCC(=O)CCNC(=O)OCC 1458a_100000210736_200011445536 [0,2,0,0,0,0|1,0,0]=3 1767 B20R0.10432 CCCCCCCCCCCC(=O)NCCC(=O)NCC 11a_100025743525_100000210736 [0,2,0,0,0,0|2,0,0]=4 1768 B20R0.10432 CCCCCCCCCCCC(=O)NCCC(=O)NCC 1626a_100025743525_100000210736 [0,2,0,0,0,0|2,0,0]=4 1769 B20R0.10432 CCCCCCCCCCCC(=O)NCCC(=O)NCC 240690a_100025743525_100000210736 [0,2,0,0,0,0|2,0,0]=4 1770 B20R0.10432 CCCCCCCCCCCC(=O)NCCC(=O)OCC 188690a_100000746078_100000210736 [0,2,0,0,0,0|1,0,0]=3 1771 B20R0.10432 CCCCCCCCCCCC(=O)OCCC(=O)C=CBr 1458a_100016273825_100000091854 [0,2,0,0,0,0|2,0,0]=4 1772 B20R0.10432 CCCCCCCCCCCC(=O)OCCC(=O)C=CCl 1458a_200016279998_100000091854 [0,2,0,0,0,0|2,0,0]=4 1773 B20R0.10432 CCCCCCCCCCCC(=O)OCCC(=O)C=CI 1458a_100016256311_100000091854 [0,2,0,0,0,0|2,0,0]=4 1774 B20R0.10432 CCCCCCCCCCCC(=O)OCCC(=O)CC#N 1458a_100051588842_100000091854 [0,2,0,0,0,0|2,0,0]=4 1775 B20R0.10432 CCCCCCCCCCNC(=O)CCCC(=O)NCC 11a_100000684558_100000199580 [0,2,0,0,0,0|2,0,0]=4 1776 B20R0.10432 CCCCCCCCCCNC(=O)CCCC(=O)NCC 1626a_100000684558_100000199580 [0,2,0,0,0,0|2,0,0]=4 1777 B20R0.10432 CCCCCCCCCCNC(=O)CCCC(=O)NCC 240690a_100000684558_100000199580 [0,2,0,0,0,0|2,0,0]=4 1778 B20R0.10432 CCCCCCCCCCNC(=O)CCCC(=O)NCC 527a_100000684558_100000199580 [0,2,0,0,0,0|2,0,0]=4 1779 B20R0.10432 CCCCCCCCCCNC(=O)CCCC(=O)OCC 11a_100000684558_100000210991 [0,2,0,0,0,0|1,0,0]=3 1780 B20R0.10432 CCCCCCCCCCNC(=O)CCCC(=O)OCC 1626a_100000684558_100000210991 [0,2,0,0,0,0|1,0,0]=3 1781 B20R0.10432 CCCCCCCCCCNC(=O)CCCC(=O)OCC 240690a_100000684558_100000210991 [0,2,0,0,0,0|1,0,0]=3 1782 B20R0.10432 CCCCCCCCCCNC(=O)CCCC(=O)OCC 527a_100000684558_100000210991 [0,2,0,0,0,0|1,0,0]=3 1783 B20R0.10432 CCCCCCCCCCOC(=O)CSCC(=O)NCO 62a_100000185155_100000680656 [0,2,0,0,0,0|2,0,0]=4 1784 B20R0.10432 CCCCCCCCCCOC(=O)CSCC(=O)NCO 62a_100000680656_100000185155 [0,2,0,0,0,0|2,0,0]=4 1785 B20R0.10432 CCCCCCCCCCOC(=O)CSCC(=O)OCC 62a_100000188475_100000680656 [0,2,0,0,0,0|2,0,0]=4 1786 B20R0.10432 CCCCCCCCCCOC(=O)CSCC(=O)OCC 62a_100000680656_100000188475 [0,2,0,0,0,0|2,0,0]=4 1787 B20R0.10432 CCOC(=O)CCCC(=O)NCCCCCCCCCO 240690a_100000078944_100000210991 [0,2,0,0,0,0|2,0,0]=4 1788 B20R0.10432 CCOC(=O)CCNC(=O)CCCCCCCCCCO 188690a_100000746078_200000016029 [0,2,0,0,0,0|2,0,0]=4 1789 B20R0.16451 CCCCCCCCCCN(C)C(=O)CCCC(=O)OC 11a_100000207566_100000239890 [0,2,0,0,0,0|1,0,0]=3 1790 B20R0.16451 CCCCCCCCCCN(C)C(=O)CCCC(=O)OC 1626a_100000207566_100000239890 [0,2,0,0,0,0|1,0,0]=3 1791 B20R0.16451 CCCCCCCCCCN(C)C(=O)CCCC(=O)OC 240690a_100000207566_100000239890 [0,2,0,0,0,0|1,0,0]=3 1792 B20R0.16451 CCCCCCCCCCN(C)C(=O)CCCC(=O)OC 527a_100000207566_100000239890 [0,2,0,0,0,0|1,0,0]=3 1793 B20R0.16451 CCCCCCCCCCN(C)C(=O)CSCC(=O)OC 11a_100000207566_100000191316 [0,2,0,0,0,0|2,0,0]=4 1794 B20R0.16451 CCCCCCCCCCN(C)C(=O)CSCC(=O)OC 1626a_100000207566_100000191316 [0,2,0,0,0,0|2,0,0]=4 1795 B20R0.16451 CCCCCCCCCCN(C)C(=O)CSCC(=O)OC 240690a_100000207566_100000191316 [0,2,0,0,0,0|2,0,0]=4 1796 B20R0.18911 CCCCCCC(C)CCOCC(=O)NCCC(=O)OC 34a_200011024964_100000230212 [0,2,0,0,0,0|2,0,0]=4 1797 B20R0.18911 CCCCCCC(C)CCOCC(=O)NCCC(=O)OC 7a_200011024964_100000230212 [0,2,0,0,0,0|2,0,0]=4 1798 B20R0.28040 CCCCCCCCCCCC(=O)N(C)CCC(=O)NC 11a_100000750875_100000210736 [0,2,0,0,0,0|2,0,0]=4 1799 B20R0.28040 CCCCCCCCCCCC(=O)N(C)CCC(=O)NC 240690a_100000750875_100000210736 [0,2,0,0,0,0|2,0,0]=4 1800 B20R0.28040 CCCCCCCCCCCC(=O)N(C)CCC(=O)OC 11a_100025711912_100000210736 [0,2,0,0,0,0|1,0,0]=3 1801 B20R0.28040 CCCCCCCCCCCC(=O)N(C)CCC(=O)OC 1626a_100025711912_100000210736 [0,2,0,0,0,0|1,0,0]=3 1802 B20R0.28040 CCCCCCCCCCCC(=O)N(C)CCC(=O)OC 240690a_100025711912_100000210736 [0,2,0,0,0,0|1,0,0]=3 1803 B20R0.28040 COC(=O)CCN(C)C(=O)CCCCCCCCCCO 240690a_100025711912_200000016029 [0,2,0,0,0,0|2,0,0]=4 1804 B20R0.28812 CCCCCCCCC(C)OCC(=O)NCCC(=O)OC 34a_100000210740_100000230212 [0,2,0,0,0,0|2,0,0]=4 1805 B20R0.28812 CCCCCCCCC(C)OCC(=O)NCCC(=O)OC 7a_100000210740_100000230212 [0,2,0,0,0,0|2,0,0]=4 1806 B20R0.8495 CCCCCCCCCCCC(=O)N(CC)CCC(=O)N 11a_100020645749_100000210736 [0,2,0,0,0,0|2,0,0]=4 1807 B20R0.8495 CCCCCCCCCCCC(=O)N(CC)CCC(=O)N 1626a_100020645749_100000210736 [0,2,0,0,0,0|2,0,0]=4 1808 B20R0.8495 CCCCCCCCCCCC(=O)N(CC)CCC(=O)N 240690a_100020645749_100000210736 [0,2,0,0,0,0|2,0,0]=4 1809 B20R0.28384 C=C[C@H](NCC(=O)OCCCCCCCCCC)C(=O)O 269956a_100016992060_100000210668 [0,2,0,0,0,0|2,0,0]=4 1810 B20R0.28384 CCCCCCCCCCOC(=O)CNC(CO)C(=O)O 269956a_100000187304_100000210668 [0,2,0,0,0,0|2,0,0]=4 1811 B20R0.28384 CCCCCCCCCCOC(=O)CN[C@H](CC)C(=O)O 269956a_100000747097_100000210668 [0,2,0,0,0,0|2,0,0]=4 1812 B20R0.31984 CCCCCCCCCCCC(=O)NCC(C)(C)C(=O)N 11a_100000740840_100000210736 [0,2,0,0,0,0|2,0,0]=4 1813 B20R0.31984 CCCCCCCCCCCC(=O)NCC(C)(C)C(=O)N 1626a_100000740840_100000210736 [0,2,0,0,0,0|2,0,0]=4 1814 B20R0.31984 CCCCCCCCCCCC(=O)NCC(C)(C)C(=O)N 240690a_100000740840_100000210736 [0,2,0,0,0,0|2,0,0]=4 1815 B18R1.1145 C=CCCCCCCCCC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_100011933949 [1,0,0,1,0,0|0,0,2]=4 1816 B18R1.1145 CCC#CCCCCCCC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_200000036426 [1,0,0,1,0,0|0,0,2]=4 1817 B18R1.1145 CCCCCCCCCCC(=O)C1CCC(=O)N1 1458a_100000210400_100000210319 [1,0,0,1,0,0|1,0,0]=3 1818 B18R1.1145 CCCCCCCCCCC(=O)C1CCC(C1)O 1458a_100000688591_100000210319 [1,0,0,1,0,0|1,0,1]=4 1819 B18R1.1145 CCCCCCCCCCC(=O)C1CNC(=O)C1 1458a_100000747279_100000210319 [1,0,0,1,0,0|2,0,0]=4 1820 B18R1.1145 CCCCCCCCCCC(=O)C1CNC(=O)N1 1458a_100000033324_100000210319 [1,0,0,1,0,0|2,0,0]=4 1821 B18R1.1145 CCCCCCCCCCC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_100000210319 [1,0,0,1,0,0|0,0,0]=2 1822 B18R1.1145 CCCCCCCCCCC(=O)[C@@H]1CSC(=O)N1 1458a_100000735014_100000210319 [1,0,0,1,0,0|2,0,0]=4 1823 B18R1.1145 CCCCCCCCCNC(=O)C1CCC(=O)N1 240690a_100000212291_100000210400 [1,0,0,1,0,0|2,0,0]=4 1824 B18R1.1145 CCCCCCCCCNC(=O)[C@@H]1CCC(=O)O1 11a_100000212291_100009814974 [1,0,0,1,0,0|1,0,0]=3 1825 B18R1.1145 CCCCCCCCCNC(=O)[C@@H]1CCC(=O)O1 1626a_100000212291_100009814974 [1,0,0,1,0,0|1,0,0]=3 1826 B18R1.1145 CCCCCCCCCNC(=O)[C@@H]1CCC(=O)O1 240690a_100000212291_100009814974 [1,0,0,1,0,0|1,0,0]=3 1827 B18R1.1145 CCCCCCCCCNC(=O)[C@@H]1CCC(=O)O1 527a_100000212291_100009814974 [1,0,0,1,0,0|1,0,0]=3 1828 B18R1.1145 O=C1CCC(N1)C(=O)CCCCCCCCCO 1458a_100000210400_100009813782 [1,0,0,1,0,0|2,0,0]=4 1829 B18R1.1145 O=C1CC[C@H](O1)C(=O)CCCCCCCCCO 1458a_100009814974_100009813782 [1,0,0,1,0,0|1,0,0]=3 1830 B18R1.1145 O=C1CC[C@H](O1)C(=O)NCCCCCCCCO 240690a_102515433106_100009814974 [1,0,0,1,0,0|2,0,0]=4 1831 B18R1.13568 CCCCCCCCCCC(=O)CCCC1CO1 1458a_100000210375_100000733510 [1,0,0,1,0,0|1,0,1]=4 1832 B18R1.17255 CC(=O)COC1CCCCCCCCCCC1=O 34a_100000211253_200009990614 [1,0,0,1,0,0|2,0,0]=4 1833 B18R1.17255 NC(=O)CNC1CCCCCCCCCCC1=O 2230a_100000711301_200009990614 [1,0,0,1,0,0|2,0,0]=4 1834 B18R1.17255 NC(=O)CSC1CCCCCCCCCCC1=O 62a_100000747473_200009990614 [1,0,0,1,0,0|2,0,0]=4 1835 B18R1.17255 NC(=O)CSC1CCCCCCCCCCC1=O 62a_200009990614_100000747473 [1,0,0,1,0,0|2,0,0]=4 1836 B18R1.17255 O=C(O)CNC1CCCCCCCCCCC1=O 269956a_100016091260_200009990614 [1,0,0,1,0,0|1,0,0]=3 1837 B18R1.17255 O=C([O-])CSC1CCCCCCCCCCC1=O 62a_100020667443_200009990614 [1,0,0,1,0,0|1,0,1]=4 1838 B18R1.17255 O=C([O-])CSC1CCCCCCCCCCC1=O 62a_200009990614_100020667443 [1,0,0,1,0,0|1,0,1]=4 1839 B18R1.21046 CC(=O)CCCC(=O)CCCCC1CCCCC1 1458a_200011215547_100011215641 [1,0,0,1,0,0|1,0,0]=3 1840 B18R1.21046 CC(=O)CCCC(=O)CCCCN1CCCCC1 1458a_100000754417_100011215641 [1,0,0,1,0,0|2,0,0]=4 1841 B18R1.21046 CC(=O)NCCC(=O)CCCCC1CCCCC1 1458a_200011215547_100000189650 [1,0,0,1,0,0|2,0,0]=4 1842 B18R1.21046 CC(=O)OCCC(=O)CCCCC1CCCCC1 1458a_200011215547_100009814007 [1,0,0,1,0,0|2,0,0]=4 1843 B18R1.21046 CC(O)CCCC(=O)CCCCC1CCCCC1 1458a_200011215547_200000718107 [1,0,0,1,0,0|1,0,1]=4 1844 B18R1.21046 NC(=O)CCCC(=O)CCCCC1CCCCC1 1458a_200011215547_100102525003 [1,0,0,1,0,0|1,0,0]=3 1845 B18R1.21046 NC(=O)CCCC(=O)CCCCN1CCCCC1 1458a_100000754417_100102525003 [1,0,0,1,0,0|2,0,0]=4 1846 B18R1.21046 NC(=O)CCNC(=O)CCCCC1CCCCC1 11a_100000740010_200011215547 [1,0,0,1,0,0|2,0,0]=4 1847 B18R1.21046 NC(=O)CCNC(=O)CCCCC1CCCCC1 240690a_100000740010_200011215547 [1,0,0,1,0,0|2,0,0]=4 1848 B18R1.21046 NC(=O)CCNC(=O)CCCCC1CCCCC1 527a_100000740010_200011215547 [1,0,0,1,0,0|2,0,0]=4 1849 B18R1.21046 NC(=O)NCCC(=O)CCCCC1CCCCC1 1458a_200011215547_200000034859 [1,0,0,1,0,0|2,0,0]=4 1850 B18R1.21046 NC(=O)OCCC(=O)CCCCC1CCCCC1 1458a_200011215547_200011214921 [1,0,0,1,0,0|2,0,0]=4 1851 B18R1.21046 O=C(O)CNCC(=O)NCCCC1CCCCC1 269956a_100016091260_200000048884 [1,0,0,1,0,0|2,0,0]=4 1852 B18R1.36736 CCCCCCCCCCC(=O)CC1CC(=O)C1 1458a_100000210375_100009874392 [1,0,0,1,0,0|1,0,0]=3 1853 B18R1.36736 CCCCCCCCOCC(=O)CC1CC(=O)C1 1458a_100000759886_100009874392 [1,0,0,1,0,0|2,0,0]=4 1854 B18R1.36736 O=C(CCCCCCCCCF)CC1CC(=O)C1 1458a_200009909015_100009874392 [1,0,0,1,0,0|2,0,0]=4 1855 B18R1.40552 CCCCCCCCCCN1CC(C1)CC(=O)O 269956a_100016993960_100000210320 [1,0,0,1,0,0|2,0,0]=4 1856 B18R1.174478 CC(=O)CCCC(=O)CCN1CCCCCCC1 1458a_200015187237_100011215641 [1,0,0,1,0,0|2,0,0]=4 1857 B18R1.174478 NC(=O)CCCC(=O)CCN1CCCCCCC1 1458a_200015187237_100102525003 [1,0,0,1,0,0|2,0,0]=4 1858 B18R1.372 CCCCCCC1CCCC1NCCCC(=O)N 269862a_100000739312_100000189428 [1,0,0,1,0,0|2,0,0]=4 1859 B18R1.1260 CCCCCCCCCCCNC1COC(=O)O1 34a_200011215754_100000032252 [1,0,0,1,0,0|2,0,0]=4 1860 B18R1.1260 CCCCCCCCCCCOC1CCC(=O)C1 34a_100012614533_100011215454 [1,0,0,1,0,0|2,0,0]=4 1861 B18R1.1260 CCCCCCCCCCCOC1COC(=O)O1 34a_100000210809_100000032252 [1,0,0,1,0,0|2,0,0]=4 1862 B18R1.4119 CCCCCCCN1CCCCC1CCC(=O)O 269956a_100000694054_100000210614 [1,0,0,1,0,0|1,0,1]=4 1863 B18R1.5438 CCCCCCCCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000210670 [1,0,0,1,0,0|1,0,1]=4 1864 B18R1.5438 CCCCCCCCCN1CSCCC1C(=O)O 269956a_100015185162_100000210670 [1,0,0,1,0,0|2,0,0]=4 1865 B18R1.5438 CCCCCCCCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100000210759 [1,0,0,1,0,0|1,0,1]=4 1866 B18R1.8743 CCCCCCCCCCCNCC1CC(=O)C1 2230a_200011215754_100009874392 [1,0,0,1,0,0|2,0,0]=4 1867 B18R1.8743 CCCCCCCCCCCOCC1CC(=O)C1 34a_100000101936_100011215454 [1,0,0,1,0,0|2,0,0]=4 1868 B18R1.8743 CCCCCCCCCCCOCC1CC(=O)C1 7a_100000210809_100009874392 [1,0,0,1,0,0|2,0,0]=4 1869 B18R1.8743 CCCCCCCCCCCSCC1CC(=O)C1 62a_100009874392_100011215454 [1,0,0,1,0,0|2,0,0]=4 1870 B18R1.13145 CCCCCCCCCCCN1CCC1C(=O)O 269956a_100000021838_100011215454 [1,0,0,1,0,0|1,0,0]=3 1871 B18R1.13145 O=C(O)C1CCN1CCCCCCCCCCO 269956a_100000021838_100009813290 [1,0,0,1,0,0|2,0,0]=4 1872 B18R1.21929 CCCCCCCCCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000210320 [1,0,0,1,0,0|1,0,1]=4 1873 B18R1.22565 CCCCCCCCN1CCCCCC1C(=O)O 269956a_100000758484_100000210759 [1,0,0,1,0,0|1,0,1]=4 1874 B18R1.36057 CCCCCCN[C@@H]1CCCCCC[C@@H]1C(=O)O 269956a_200049070474_100000210757 [1,0,0,1,0,0|1,0,1]=4 1875 B18R1.1327 CCCCCCCCCCCC(=O)C1CC=CC1 1458a_100000759439_100011215454 [1,0,0,1,0,0|1,0,1]=4 1876 B18R1.1327 CCCCCCCCCCCC(=O)C1CCCC1 1458a_100000210718_100011215454 [1,0,0,1,0,0|1,0,1]=4 1877 B18R1.1327 CCCCCCCCCCCC(=O)C1CCCC1 1458a_100000210736_100000179811 [1,0,0,1,0,0|1,0,1]=4 1878 B18R1.1327 CCCCCCCCCCCC(=O)C1CCCS1 1458a_100012002731_100011215454 [1,0,0,1,0,0|0,1,1]=4 1879 B18R1.1327 CCCCCCCCCCCC(=O)C1CCOC1 1458a_100000210736_100000690089 [1,0,0,1,0,0|2,0,0]=4 1880 B18R1.1327 CCCCCCCCCCCC(=O)C1CCOC1 1458a_100011219752_100011215454 [1,0,0,1,0,0|2,0,0]=4 1881 B18R1.1327 CCCCCCCCCCCC(=O)[C@@H]1CCCO1 1458a_100000686382_100011215454 [1,0,0,1,0,0|0,0,1]=3 1882 B18R1.1327 CCCCCCCCCCNC(=O)[C@@H]1CCCO1 11a_100000684558_100000686382 [1,0,0,1,0,0|1,0,1]=4 1883 B18R1.1327 CCCCCCCCCCNC(=O)[C@@H]1CCCO1 1626a_100000684558_100000686382 [1,0,0,1,0,0|1,0,1]=4 1884 B18R1.1327 CCCCCCCCCCNC(=O)[C@@H]1CCCO1 240690a_100000684558_100000686382 [1,0,0,1,0,0|1,0,1]=4 1885 B18R1.1327 CCCCCCCCCCNC(=O)[C@@H]1CCCO1 527a_100000684558_100000686382 [1,0,0,1,0,0|1,0,1]=4 1886 B18R1.1327 O=C(CCCCCCCCCCO)[C@@H]1CCCO1 1458a_100000686382_100009813290 [1,0,0,1,0,0|1,0,1]=4 1887 B18R1.1731 C=CCCCC(=O)CCCCCN1CCCCC1 1458a_100012051570_100000757094 [1,0,0,1,0,0|2,0,0]=4 1888 B18R1.1731 O=C(CCCCO)CCCCCN1CCCCC1 1458a_100012051570_100000210776 [1,0,0,1,0,0|1,0,1]=4 1889 B18R1.3010 C=CCCCC(=O)NCCC1CCCCCCC1 11a_100011532352_100000766728 [1,0,0,1,0,0|2,0,0]=4 1890 B18R1.3010 C=CCCCC(=O)NCCC1CCCCCCC1 1626a_100011532352_100000766728 [1,0,0,1,0,0|2,0,0]=4 1891 B18R1.3010 C=CCCCC(=O)NCCC1CCCCCCC1 240690a_100011532352_100000766728 [1,0,0,1,0,0|2,0,0]=4 1892 B18R1.3010 C=CCCCC(=O)NCCC1CCCCCCC1 527a_100011532352_100000766728 [1,0,0,1,0,0|2,0,0]=4 1893 B18R1.3010 O=C(CCCCO)NCCC1CCCCCCC1 1626a_100011532352_100000695505 [1,0,0,1,0,0|1,0,1]=4 1894 B18R1.41511 CCCCCCCCCCCC(=O)C1CC1CC 1458a_200011661523_100011215454 [1,0,0,1,0,0|1,0,1]=4 1895 B18R1.41511 CCCCCCCCCCCC(=O)[C@@H]1C[C@H]1C#N 1458a_100015294237_100011215454 [1,0,0,1,0,0|1,0,1]=4 1896 B18R1.41513 CCCCCCCCCCCC(=O)CC1CCC1 1458a_100000210736_100000763275 [1,0,0,1,0,0|1,0,1]=4 1897 B18R1.41513 CCCCCCCCCCCC(=O)CC1CCC1 1458a_100000763092_100011215454 [1,0,0,1,0,0|1,0,1]=4 1898 B18R1.41513 CCCCCCCCCCCC(=O)CC1CCO1 1458a_100000210736_100000103362 [1,0,0,1,0,0|0,0,1]=3 1899 B18R1.41513 CCCCCCCCCCCC(=O)CC1COC1 1458a_100000210736_100010264016 [1,0,0,1,0,0|2,0,0]=4 1900 B18R1.41513 CCCCCCCCCCCC(=O)CC1COC1 1458a_100000687760_100011215454 [1,0,0,1,0,0|2,0,0]=4 1901 B18R1.41514 CCCCCCCCCCCC(=O)CCC1CC1 1458a_100000210736_100000694398 [1,0,0,1,0,0|1,0,1]=4 1902 B18R1.41514 CCCCCCCCCCCC(=O)CCC1CC1 1458a_100000756386_100011215454 [1,0,0,1,0,0|1,0,1]=4 1903 B18R1.41514 CCCCCCCCCCCC(=O)CCC1CO1 1458a_100000210736_100000732470 [1,0,0,1,0,0|0,0,1]=3 1904 B18R1.41515 CCCCCCCCCC=CC(=O)C1CCC1=O 1458a_200015352897_100009892977 [1,0,0,1,0,0|0,0,2]=4 1905 B18R1.41515 CCCCCCCCCCCC(=O)C1CCC1=O 1458a_100000210736_100009892977 [1,0,0,1,0,0|0,0,0]=2 1906 B18R1.293864 CCCCCCCCCNC1C(=O)CCCC1=O 2230a_100000212291_100009814513 [1,0,0,1,0,0|1,0,0]=3 1907 B18R1.293864 CCCCCCCCCOC1C(=O)CCCC1=O 7a_100000210712_100009814513 [1,0,0,1,0,0|1,0,0]=3 1908 B18R1.293864 CCCCCCCCCSC1C(=O)CCCC1=O 62a_100009814513_100000210670 [1,0,0,1,0,0|1,0,0]=3 1909 B18R1.293864 CCCCCCOCCOC1C(=O)CCCC1=O 7a_100000691444_100009814513 [1,0,0,1,0,0|2,0,0]=4 1910 B18R1.293864 CCCCOCCCCOC1C(=O)CCCC1=O 7a_200000760531_100009814513 [1,0,0,1,0,0|2,0,0]=4 1911 B18R1.293864 O=C1CCCC(=O)C1NCCCCCCCCO 2230a_102515433106_100009814513 [1,0,0,1,0,0|2,0,0]=4 1912 B18R1.293864 O=C1CCCC(=O)C1OCCCCCCCCBr 7a_100009813846_100009814513 [1,0,0,1,0,0|2,0,0]=4 1913 B18R1.293864 O=C1CCCC(=O)C1OCCCCCCCCCl 7a_100000033203_100009814513 [1,0,0,1,0,0|2,0,0]=4 1914 B18R1.293864 O=C1CCCC(=O)C1SCCCCCCCCO 62a_100000033203_100009814513 [1,0,0,1,0,0|2,0,0]=4 1915 B18R1.293864 O=C1CCCC(=O)C1SCCCCCCCCO 62a_100009814513_100000033203 [1,0,0,1,0,0|2,0,0]=4 1916 B18R1.5072 O=C(O)CNC(=O)CCNCCC1CCCCC1 269956a_100000722369_100011273959 [0,0,0,1,1,0|2,0,0]=4 1917 B18R1.5072 O=C(O)CNC(=O)CNCCCC1CCCCC1 269956a_100000183575_100011713725 [0,0,0,1,1,0|2,0,0]=4 1918 B18R1.5077 O=C(O)CNC(=O)CCNCCCC1CCCC1 269956a_100000722369_100011713738 [0,0,0,1,1,0|2,0,0]=4 1919 B18R1.41516 C=C1CC(C1)C(=O)CCCCCCCCCCC 1458a_100000065620_100011215454 [0,0,0,1,1,0|2,0,0]=4 1920 B18R1.41516 CCCCCCCCCCCC(=O)[C@@H]1CC(=O)N1 1458a_100016090685_100011215454 [0,0,0,1,1,0|1,0,0]=3 1921 B18R1.41516 CCCCCCCCCCCC(=O)[C@H]1C[C@H](C1)O 1458a_100015266633_100011215454 [0,0,0,1,1,0|1,0,1]=4 1922 B18R1.41516 CCCCCCCCCCNC(=O)[C@@H]1CC(=O)N1 527a_100000684558_100016090685 [0,0,0,1,1,0|2,0,0]=4 1923 B18R1.41516 O=C1C[C@H](N1)C(=O)CCCCCCCCCCO 1458a_100016090685_100009813290 [0,0,0,1,1,0|2,0,0]=4 1924 B18R1.58550 O=C(O)CNC(=O)CCNCC1CCCCCC1 269956a_100000722369_200000696569 [0,0,0,1,1,0|2,0,0]=4 1925 B18R1.174775 NC(=O)CCC(=O)NCCC1CCCCCCC1 240690a_100011532352_100011215257 [0,0,0,1,1,0|2,0,0]=4 1926 B18R1.174775 NC(=O)CCC(=O)NCCC1CCCCCCC1 527a_100011532352_100011215257 [0,0,0,1,1,0|2,0,0]=4 1927 B20R1.699 CCCCCCCCCCCC(=O)C1CCCC(C1)O 1458a_100000707227_100011215454 [0,0,0,1,0,1|1,0,1]=4 1928 B20R1.699 CCCCCCCCCCCC(=O)C1CCNC(=O)C1 1458a_100000132800_100011215454 [0,0,0,1,0,1|1,0,0]=3 1929 B20R1.699 CCCCCCCCCCCC(=O)C1CSCC(=O)N1 1458a_100000045068_100011215454 [0,0,0,1,0,1|1,0,0]=3 1930 B20R1.699 CCCCCCCCCCCC(=O)N1CCCC(C1)O 240690a_100000211013_100000210736 [0,0,0,1,0,1|1,0,1]=4 1931 B20R1.699 CCCCCCCCCCCC(=O)N1CCNC(=O)C1 11a_100000184651_100000210736 [0,0,0,1,0,1|2,0,0]=4 1932 B20R1.699 CCCCCCCCCCCC(=O)N1CCNC(=O)C1 1626a_100000184651_100000210736 [0,0,0,1,0,1|2,0,0]=4 1933 B20R1.699 CCCCCCCCCCCC(=O)N1CCNC(=O)C1 240690a_100000184651_100000210736 [0,0,0,1,0,1|2,0,0]=4 1934 B20R1.699 CCCCCCCCCCCC(=O)N1CCOC(=O)C1 11a_100000131268_100000210736 [0,0,0,1,0,1|2,0,0]=4 1935 B20R1.699 CCCCCCCCCCCC(=O)N1CCOC(=O)C1 240690a_100000131268_100000210736 [0,0,0,1,0,1|2,0,0]=4 1936 B20R1.699 CCCCCCCCCCCC(=O)[C@@H]1CCN=C(N1)C 1458a_100015271614_100011215454 [0,0,0,1,0,1|2,0,0]=4 1937 B20R1.699 CCCCCCCCCCCC(=O)[C@H]1CCCC(=O)N1 1458a_100000705292_100011215454 [0,0,0,1,0,1|1,0,0]=3 1938 B20R1.699 CCCCCCCCCCNC(=O)C1CCNC(=O)C1 11a_100000684558_100000132800 [0,0,0,1,0,1|2,0,0]=4 1939 B20R1.699 CCCCCCCCCCNC(=O)C1CCNC(=O)C1 1626a_100000684558_100000132800 [0,0,0,1,0,1|2,0,0]=4 1940 B20R1.699 CCCCCCCCCCNC(=O)C1CCNC(=O)C1 240690a_100000684558_100000132800 [0,0,0,1,0,1|2,0,0]=4 1941 B20R1.699 CCCCCCCCCCNC(=O)C1CCNC(=O)C1 527a_100000684558_100000132800 [0,0,0,1,0,1|2,0,0]=4 1942 B20R1.699 CCCCCCCCCCNC(=O)C1CSCC(=O)N1 240690a_100000684558_100000045068 [0,0,0,1,0,1|2,0,0]=4 1943 B20R1.699 CCCCCCCCCCNC(=O)C1CSCC(=O)N1 527a_100000684558_100000045068 [0,0,0,1,0,1|2,0,0]=4 1944 B20R1.699 CCCCCCCCCCNC(=O)[C@H]1CCCC(=O)N1 240690a_100000684558_100000705292 [0,0,0,1,0,1|2,0,0]=4 1945 B20R1.699 CCCCCCCCCCNC(=O)[C@H]1CCCC(=O)N1 527a_100000684558_100000705292 [0,0,0,1,0,1|2,0,0]=4 1946 B20R1.699 O=C1CC(CCN1)C(=O)CCCCCCCCCCO 1458a_100000132800_100009813290 [0,0,0,1,0,1|2,0,0]=4 1947 B20R1.699 O=C1CCC[C@@H](N1)C(=O)CCCCCCCCCCO 1458a_100000705292_100009813290 [0,0,0,1,0,1|2,0,0]=4 1948 B20R1.699 O=C1CSCC(N1)C(=O)CCCCCCCCCCO 1458a_100000045068_100009813290 [0,0,0,1,0,1|2,0,0]=4 1949 B20R1.3360 CCCCCCCCCC=CC(=O)CC1CNC(=O)O1 1458a_200015352897_100000181169 [0,0,0,1,0,1|0,0,2]=4 1950 B20R1.3360 CCCCCCCCCC=CC(=O)CC1COC(=O)O1 1458a_200015352897_100000073702 [0,0,0,1,0,1|0,0,2]=4 1951 B20R1.3360 CCCCCCCCCCCC(=O)CC1CCC(=O)N1 1458a_100000026770_100011215454 [0,0,0,1,0,1|1,0,0]=3 1952 B20R1.3360 CCCCCCCCCCCC(=O)CC1CNC(=O)O1 1458a_100000210736_100000181169 [0,0,0,1,0,1|0,0,0]=2 1953 B20R1.3360 CCCCCCCCCCCC(=O)CC1COC(=O)O1 1458a_100000210736_100000073702 [0,0,0,1,0,1|0,0,0]=2 1954 B20R1.3360 CCCCCCCCCCCC(=O)CN1CCC(=N1)C 1458a_100015183194_100011215454 [0,0,0,1,0,1|2,0,0]=4 1955 B20R1.3360 CCCCCCCCCCCC(=O)C[C@@H]1CCC(=O)N1 1458a_100000210736_100015189358 [0,0,0,1,0,1|1,0,0]=3 1956 B20R1.3360 CCCCCCCCCCCC(=O)C[C@H]1COC(=O)N1 1458a_100000210736_100015307671 [0,0,0,1,0,1|1,0,0]=3 1957 B20R1.3360 CCCCCCCCCCCC(=O)NC1CNC(=O)C1 11a_100000697751_100000210736 [0,0,0,1,0,1|2,0,0]=4 1958 B20R1.3360 CCCCCCCCCCCC(=O)NC1CNC(=O)C1 1626a_100000697751_100000210736 [0,0,0,1,0,1|2,0,0]=4 1959 B20R1.3360 CCCCCCCCCCCC(=O)NC1CNC(=O)C1 240690a_100000697751_100000210736 [0,0,0,1,0,1|2,0,0]=4 1960 B20R1.3360 CCCCCCCCCCCC(=O)N[C@H]1CC[C@H](C1)O 1626a_100015195300_100000210736 [0,0,0,1,0,1|1,0,1]=4 1961 B20R1.3360 CCCCCCCCCCCC(=O)N[C@H]1CC[C@H](C1)O 240690a_100015195300_100000210736 [0,0,0,1,0,1|1,0,1]=4 1962 B20R1.3360 CCCCCCCCCCNC(=O)CC1CCC(=O)N1 1626a_100000684558_100000026770 [0,0,0,1,0,1|2,0,0]=4 1963 B20R1.3360 CCCCCCCCCCNC(=O)CC1CCC(=O)N1 240690a_100000684558_100000026770 [0,0,0,1,0,1|2,0,0]=4 1964 B20R1.3360 O=C(CCCCCCCCCCO)CC1CCC(=O)N1 1458a_100000026770_100009813290 [0,0,0,1,0,1|2,0,0]=4 1965 B20R1.17383 CCCCCCCCCCCN1CCC(C1)CC(=O)O 269956a_100000719201_100011215454 [0,0,0,1,0,1|2,0,0]=4 1966 B20R1.30950 CC(=O)CCCCC(=O)CCCCCN1CCCCC1 1458a_100012051570_100000735457 [0,0,0,1,0,1|2,0,0]=4 1967 B20R1.30950 CC(=O)OCCCC(=O)CCCCCN1CCCCC1 1458a_100012051570_100000042594 [0,0,0,1,0,1|2,0,0]=4 1968 B20R1.30950 CC(=O)SCCCC(=O)CCCCCN1CCCCC1 1458a_100012051570_100000038929 [0,0,0,1,0,1|2,0,0]=4 1969 B20R1.30950 NC(=O)CCCNC(=O)CCCCCN1CCCCC1 240690a_100000739312_100012051570 [0,0,0,1,0,1|2,0,0]=4 1970 B20R1.30950 NC(=O)COCCC(=O)CCCCCN1CCCCC1 1458a_100012051570_100000076697 [0,0,0,1,0,1|2,0,0]=4 1971 B20R1.68695 C=C1CC(C1)CNC(=O)CCCCCCCCCCC 11a_100102567296_100000210736 [0,0,0,1,0,1|2,0,0]=4 1972 B20R1.68695 C=C1CC(C1)CNC(=O)CCCCCCCCCCC 1626a_100102567296_100000210736 [0,0,0,1,0,1|2,0,0]=4 1973 B20R1.68695 C=C1CC(C1)CNC(=O)CCCCCCCCCCC 240690a_100102567296_100000210736 [0,0,0,1,0,1|2,0,0]=4 1974 B20R1.68695 CCCCCCCCCCCC(=O)NCC1CC(C1)O 11a_100016992100_100000210736 [0,0,0,1,0,1|1,0,1]=4 1975 B20R1.68695 CCCCCCCCCCCC(=O)NCC1CC(C1)O 240690a_100016992100_100000210736 [0,0,0,1,0,1|1,0,1]=4 1976 B20R1.68695 CCCCCCCCCCOC(=O)CSC1CC(=O)C1 62a_100009894365_100000680656 [0,0,0,1,0,1|2,0,0]=4 1977 B20R1.427017 CC(=O)NCCCC(=O)NCCC1CCCCCCC1 11a_100011532352_100000194741 [0,0,0,1,0,1|2,0,0]=4 1978 B20R1.427017 CC(=O)NCCCC(=O)NCCC1CCCCCCC1 1626a_100011532352_100000194741 [0,0,0,1,0,1|2,0,0]=4 1979 B20R1.427017 CC(=O)NCCCC(=O)NCCC1CCCCCCC1 240690a_100011532352_100000194741 [0,0,0,1,0,1|2,0,0]=4 1980 B20R1.427017 CC(=O)NCCCC(=O)NCCC1CCCCCCC1 527a_100011532352_100000194741 [0,0,0,1,0,1|2,0,0]=4 1981 B20R1.427017 NC(=O)CCCNC(=O)NCCC1CCCCCCC1 273464a_100000739312_100011532352 [0,0,0,1,0,1|2,0,0]=4 1982 B20R1.427017 NC(=O)CCCNC(=O)NCCC1CCCCCCC1 273464a_100011532352_100000739312 [0,0,0,1,0,1|2,0,0]=4 1983 B20R1.427017 NC(=O)CCCNC(=O)NCCC1CCCCCCC1 512a_100000739312_100011532352 [0,0,0,1,0,1|2,0,0]=4 1984 B20R1.427017 NC(=O)CSCCC(=O)NCCC1CCCCCCC1 11a_100011532352_100000148550 [0,0,0,1,0,1|2,0,0]=4 1985 B20R1.427017 NC(=O)CSCCC(=O)NCCC1CCCCCCC1 240690a_100011532352_100000148550 [0,0,0,1,0,1|2,0,0]=4 1986 B20R1.427017 NC(=O)CSCCC(=O)NCCC1CCCCCCC1 527a_100011532352_100000148550 [0,0,0,1,0,1|2,0,0]=4 1987 B20R1.788344 CC(=O)N1CC[C@H]1C(=O)CCCCCCCCCCO 1458a_200015362969_100009813290 [0,0,0,1,0,1|2,0,0]=4 1988 B20R1.788344 CCCCCCCCCCCC(=O)[C@@H]1CCN1C(=O)C 1458a_200015362969_100011215454 [0,0,0,1,0,1|1,0,0]=3 1989 B20R1.788344 CCCCCCCCCCNC(=O)[C@@H]1CCN1C(=O)C 11a_100000684558_200015362969 [0,0,0,1,0,1|2,0,0]=4 1990 B20R1.788344 CCCCCCCCCCNC(=O)[C@@H]1CCN1C(=O)C 1626a_100000684558_200015362969 [0,0,0,1,0,1|2,0,0]=4 1991 B20R1.788344 CCCCCCCCCCNC(=O)[C@@H]1CCN1C(=O)C 240690a_100000684558_200015362969 [0,0,0,1,0,1|2,0,0]=4 1992 B20R1.788344 CCCCCCCCCCNC(=O)[C@@H]1CCN1C(=O)C 527a_100000684558_200015362969 [0,0,0,1,0,1|2,0,0]=4 1993 B20R1.807 CCOC(=O)CCCCCCCC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_100009991516 [0,1,0,1,0,0|1,0,1]=4 1994 B20R1.287 C=CCCCCCCCCCCC(=O)C1CCC(=O)N1 1458a_100000210400_100011093070 [0,1,0,1,0,0|1,0,1]=4 1995 B20R1.287 C=CCCCCCCCCCCC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_100011093070 [0,1,0,1,0,0|0,0,1]=3 1996 B20R1.287 C=CCCCCCCCCCNC(=O)[C@@H]1CCC(=O)O1 11a_100000081888_100009814974 [0,1,0,1,0,0|0,0,2]=4 1997 B20R1.287 C=CCCCCCCCCCNC(=O)[C@@H]1CCC(=O)O1 1626a_100000081888_100009814974 [0,1,0,1,0,0|0,0,2]=4 1998 B20R1.287 C=CCCCCCCCCCNC(=O)[C@@H]1CCC(=O)O1 240690a_100000081888_100009814974 [0,1,0,1,0,0|0,0,2]=4 1999 B20R1.287 C=CCCCCCCCCCNC(=O)[C@@H]1CCC(=O)O1 527a_100000081888_100009814974 [0,1,0,1,0,0|0,0,2]=4 2000 B20R1.287 CCCCC#CCCCCCCC(=O)C1CCC(=O)N1 1458a_100000210400_200000043322 [0,1,0,1,0,0|1,0,1]=4 2001 B20R1.287 CCCCC#CCCCCCCC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_200000043322 [0,1,0,1,0,0|0,0,1]=3 2002 B20R1.287 CCCCCCCCCCCCC(=O)C1CCC(=O)N1 1458a_100000210400_100000759014 [0,1,0,1,0,0|1,0,0]=3 2003 B20R1.287 CCCCCCCCCCCCC(=O)C1CCC(C1)O 1458a_100000688591_100000759014 [0,1,0,1,0,0|1,0,1]=4 2004 B20R1.287 CCCCCCCCCCCCC(=O)C1CNC(=O)C1 1458a_100000747279_100000759014 [0,1,0,1,0,0|2,0,0]=4 2005 B20R1.287 CCCCCCCCCCCCC(=O)C1CNC(=O)N1 1458a_100000033324_100000759014 [0,1,0,1,0,0|2,0,0]=4 2006 B20R1.287 CCCCCCCCCCCCC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_100000759014 [0,1,0,1,0,0|0,0,0]=2 2007 B20R1.287 CCCCCCCCCCCCC(=O)[C@@H]1CSC(=O)N1 1458a_100000735014_100000759014 [0,1,0,1,0,0|2,0,0]=4 2008 B20R1.287 CCCCCCCCCCCNC(=O)C1CCC(=O)N1 240690a_200011215754_100000210400 [0,1,0,1,0,0|1,0,0]=3 2009 B20R1.287 CCCCCCCCCCCNC(=O)C1CCC(C1)O 1626a_200011215754_100000688591 [0,1,0,1,0,0|1,0,1]=4 2010 B20R1.287 CCCCCCCCCCCNC(=O)C1CCC(C1)O 240690a_200011215754_100000688591 [0,1,0,1,0,0|1,0,1]=4 2011 B20R1.287 CCCCCCCCCCCNC(=O)C1CNC(=O)C1 11a_200011215754_100000747279 [0,1,0,1,0,0|2,0,0]=4 2012 B20R1.287 CCCCCCCCCCCNC(=O)C1CNC(=O)C1 1626a_200011215754_100000747279 [0,1,0,1,0,0|2,0,0]=4 2013 B20R1.287 CCCCCCCCCCCNC(=O)C1CNC(=O)C1 240690a_200011215754_100000747279 [0,1,0,1,0,0|2,0,0]=4 2014 B20R1.287 CCCCCCCCCCCNC(=O)C1CNC(=O)C1 527a_200011215754_100000747279 [0,1,0,1,0,0|2,0,0]=4 2015 B20R1.287 CCCCCCCCCCCNC(=O)C1CNC(=O)N1 11a_200011215754_100000033324 [0,1,0,1,0,0|2,0,0]=4 2016 B20R1.287 CCCCCCCCCCCNC(=O)C1CNC(=O)N1 240690a_200011215754_100000033324 [0,1,0,1,0,0|2,0,0]=4 2017 B20R1.287 CCCCCCCCCCCNC(=O)[C@@H]1CCC(=O)O1 11a_200011215754_100009814974 [0,1,0,1,0,0|0,0,0]=2 2018 B20R1.287 CCCCCCCCCCCNC(=O)[C@@H]1CCC(=O)O1 1626a_200011215754_100009814974 [0,1,0,1,0,0|0,0,0]=2 2019 B20R1.287 CCCCCCCCCCCNC(=O)[C@@H]1CCC(=O)O1 240690a_200011215754_100009814974 [0,1,0,1,0,0|0,0,0]=2 2020 B20R1.287 CCCCCCCCCCCNC(=O)[C@@H]1CCC(=O)O1 527a_200011215754_100009814974 [0,1,0,1,0,0|0,0,0]=2 2021 B20R1.287 CCCCCCCCCCCNC(=O)[C@@H]1CSC(=O)N1 240690a_200011215754_100000735014 [0,1,0,1,0,0|2,0,0]=4 2022 B20R1.287 O=C(CCCCCCCCCCCO)C1CCC(C1)O 1458a_100000688591_100009812471 [0,1,0,1,0,0|1,0,1]=4 2023 B20R1.287 O=C1CC(CN1)C(=O)CCCCCCCCCCCO 1458a_100000747279_100009812471 [0,1,0,1,0,0|2,0,0]=4 2024 B20R1.287 O=C1CCC(N1)C(=O)CCCCCCCCCCCO 1458a_100000210400_100009812471 [0,1,0,1,0,0|1,0,0]=3 2025 B20R1.287 O=C1CCC(N1)C(=O)NCCCCCCCCCCO 240690a_100000066964_100000210400 [0,1,0,1,0,0|2,0,0]=4 2026 B20R1.287 O=C1CC[C@H](O1)C(=O)CCCCCCCCCCCO 1458a_100009814974_100009812471 [0,1,0,1,0,0|0,0,0]=2 2027 B20R1.287 O=C1CC[C@H](O1)C(=O)NCCCCCCCCCCO 240690a_100000066964_100009814974 [0,1,0,1,0,0|1,0,0]=3 2028 B20R1.287 O=C1NCC(N1)C(=O)CCCCCCCCCCCO 1458a_100000033324_100009812471 [0,1,0,1,0,0|2,0,0]=4 2029 B20R1.287 O=C1N[C@@H](CS1)C(=O)CCCCCCCCCCCO 1458a_100000735014_100009812471 [0,1,0,1,0,0|2,0,0]=4 2030 B20R1.18844 CCCCCCCCCCCCC(=O)CC1CC(=O)C1 1458a_100011215791_100009874392 [0,1,0,1,0,0|1,0,0]=3 2031 B20R1.32746 CCCCCCCCCCN1CC(CCC1C(=O)O)O 269956a_100000089875_100000210320 [0,1,0,1,0,0|0,0,2]=4 2032 B20R1.65962 CCCCCCCCCCCN[C@H]1CC[C@H](C1)C(=O)O 269956a_100015195206_100011215454 [0,1,0,1,0,0|1,0,1]=4 2033 B20R1.439912 CCCCCCCCCCCCN1CC(C1)CC(=O)O 269956a_100016993960_100000759014 [0,1,0,1,0,0|2,0,0]=4 2034 B20R1.439912 O=C(O)CC1CN(C1)CCCCCCCCCCCO 269956a_100016993960_100009812471 [0,1,0,1,0,0|2,0,0]=4 2035 B20R1.668 COC(=O)CCCCCCCCC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_100010282707 [0,1,0,1,0,0|1,0,1]=4 2036 B20R1.4519 CCCCCCCCCCCN1CCC(CC1)C(=O)O 269956a_100000210459_100011215454 [0,1,0,1,0,0|2,0,0]=4 2037 B20R1.698 CCCCCCCCCCCC(=O)C1=NNC(=O)CC1 1458a_100000183032_100011215454 [0,1,0,1,0,0|1,0,1]=4 2038 B20R1.698 CCCCCCCCCCCC(=O)C1CCC(=O)NC1 1458a_100000740907_100011215454 [0,1,0,1,0,0|1,0,0]=3 2039 B20R1.698 CCCCCCCCCCCC(=O)C1CCC(CC1)O 1458a_100000743365_100011215454 [0,1,0,1,0,0|1,0,1]=4 2040 B20R1.698 CCCCCCCCCCNC(=O)C1CCC(=O)NC1 11a_100000684558_100000740907 [0,1,0,1,0,0|2,0,0]=4 2041 B20R1.698 CCCCCCCCCCNC(=O)C1CCC(=O)NC1 1626a_100000684558_100000740907 [0,1,0,1,0,0|2,0,0]=4 2042 B20R1.698 CCCCCCCCCCNC(=O)C1CCC(=O)NC1 240690a_100000684558_100000740907 [0,1,0,1,0,0|2,0,0]=4 2043 B20R1.698 CCCCCCCCCCNC(=O)C1CCC(=O)NC1 527a_100000684558_100000740907 [0,1,0,1,0,0|2,0,0]=4 2044 B20R1.698 O=C1CCC(CN1)C(=O)CCCCCCCCCCO 1458a_100000740907_100009813290 [0,1,0,1,0,0|2,0,0]=4 2045 B20R1.7028 CCC1CCCCN1CCNC(=O)CCCC(=O)OC 11a_100000755458_100000239890 [0,1,0,1,0,0|2,0,0]=4 2046 B20R1.7028 CCC1CCCCN1CCNC(=O)CCCC(=O)OC 1626a_100000755458_100000239890 [0,1,0,1,0,0|2,0,0]=4 2047 B20R1.7028 CCC1CCCCN1CCNC(=O)CCCC(=O)OC 240690a_100000755458_100000239890 [0,1,0,1,0,0|2,0,0]=4 2048 B20R1.7028 CCC1CCCCN1CCNC(=O)CCCC(=O)OC 527a_100000755458_100000239890 [0,1,0,1,0,0|2,0,0]=4 2049 B20R1.17378 CCCCCCCCCCCN1CC(C1)CC(=O)OC 269982a_100016993681_100011215454 [0,1,0,1,0,0|2,0,0]=4 2050 B20R1.17380 CCCCCCCCCCCN1CC[C@H](C1)C(=O)OC 2230a_100016989057_100011215454 [0,1,0,1,0,0|2,0,0]=4 2051 B20R1.17380 CCCCCCCCCCCN1CC[C@H](C1)C(=O)OC 269982a_100016989057_100011215454 [0,1,0,1,0,0|2,0,0]=4 2052 B20R1.19619 CCCC1CCCCC1OCC(=O)NCCC(=O)OC 34a_100011217265_100000230212 [0,1,0,1,0,0|2,0,0]=4 2053 B20R1.19619 CCCC1CCCCC1OCC(=O)NCCC(=O)OC 7a_100011217265_100000230212 [0,1,0,1,0,0|2,0,0]=4 2054 B20R1.56025 CNC(=O)CCCC(=O)CCCCCN1CCCCC1 1458a_100012051570_100000741757 [0,1,0,1,0,0|2,0,0]=4 2055 B20R1.56025 COC(=O)CCCC(=O)CCCCCN1CCCCC1 1458a_100012051570_100011218270 [0,1,0,1,0,0|1,0,0]=3 2056 B20R1.56025 COC(=O)CCCC(=O)CCCCCN1CCOCC1 1458a_100012051560_100011218270 [0,1,0,1,0,0|2,0,0]=4 2057 B20R1.56025 COC(=O)CCCC(=O)CCCCOC1CCCCO1 1458a_100000239890_100000031530 [0,1,0,1,0,0|2,0,0]=4 2058 B20R1.56025 COC(=O)CCCC(=O)NCCCCN1CCCCC1 240690a_200011207366_100000239890 [0,1,0,1,0,0|2,0,0]=4 2059 B20R1.56025 COC(=O)CCCC(=O)NCCCOC1CCCCC1 11a_100000205933_100000239890 [0,1,0,1,0,0|2,0,0]=4 2060 B20R1.56025 COC(=O)CCCC(=O)NCCCOC1CCCCC1 1626a_100000205933_100000239890 [0,1,0,1,0,0|2,0,0]=4 2061 B20R1.56025 COC(=O)CCCC(=O)NCCCOC1CCCCC1 240690a_100000205933_100000239890 [0,1,0,1,0,0|2,0,0]=4 2062 B20R1.56025 COC(=O)CCCC(=O)NCCCOC1CCCCC1 527a_100000205933_100000239890 [0,1,0,1,0,0|2,0,0]=4 2063 B20R1.56025 COC(=O)CCNC(=O)CCCCCN1CCCCC1 188690a_100000683876_100012051570 [0,1,0,1,0,0|2,0,0]=4 2064 B20R1.56025 COC(=O)CCNC(=O)CNCCCC1CCCCC1 2230a_100011211642_100000230212 [0,1,0,1,0,0|2,0,0]=4 2065 B20R1.56025 COC(=O)CCNC(=O)CNCCCC1CCCCC1 34a_100011211642_100000230212 [0,1,0,1,0,0|2,0,0]=4 2066 B20R1.56025 COC(=O)CCNC(=O)COCCCC1CCCCC1 34a_100000198086_100000230212 [0,1,0,1,0,0|2,0,0]=4 2067 B20R1.56025 COC(=O)CCNC(=O)COCCCC1CCCCC1 7a_100000198086_100000230212 [0,1,0,1,0,0|2,0,0]=4 2068 B20R1.56025 COC(=O)CCNC(=O)CSCCCC1CCCCC1 62a_100000230212_100011713725 [0,1,0,1,0,0|2,0,0]=4 2069 B20R1.56025 COC(=O)CCNC(=O)CSCCCC1CCCCC1 62a_100011713725_100000230212 [0,1,0,1,0,0|2,0,0]=4 2070 B20R1.56039 COC(=O)CCCC(=O)NCCCCCN1CCCC1 1626a_100011491779_100000239890 [0,1,0,1,0,0|2,0,0]=4 2071 B20R1.56039 COC(=O)CCCC(=O)NCCCCCN1CCCC1 240690a_100011491779_100000239890 [0,1,0,1,0,0|2,0,0]=4 2072 B20R1.56673 COC(=O)CCCC(=O)NCCCN1CCCCC1C 240690a_100000212276_100000239890 [0,1,0,1,0,0|2,0,0]=4 2073 B20R1.56673 COC(=O)CCCC(=O)NCCCN1CCCCC1C 527a_100000212276_100000239890 [0,1,0,1,0,0|2,0,0]=4 2074 B20R1.68071 COCCCC1CCCCN1C(=O)CCCC(=O)OC 11a_100011804088_100000239890 [0,1,0,1,0,0|2,0,0]=4 2075 B20R1.68071 COCCCC1CCCCN1C(=O)CCCC(=O)OC 1626a_100011804088_100000239890 [0,1,0,1,0,0|2,0,0]=4 2076 B20R1.68071 COCCCC1CCCCN1C(=O)CCCC(=O)OC 240690a_100011804088_100000239890 [0,1,0,1,0,0|2,0,0]=4 2077 B20R1.68071 COCCCC1CCCCN1C(=O)CCCC(=O)OC 527a_100011804088_100000239890 [0,1,0,1,0,0|2,0,0]=4 2078 B20R1.68694 CCCCCCCCCCCC(=O)CCC1CCC1=O 1458a_100000210736_200016118888 [0,1,0,1,0,0|1,0,0]=3 2079 B20R1.282815 CCCCCCCCCN1CC(=O)NC[C@H]1C(=O)OC 2230a_200015373194_100011214924 [0,1,0,1,0,0|2,0,0]=4 2080 B20R1.642132 COC(=O)CCCC(=O)NCCCN1CCCCCC1 11a_100000181460_100000239890 [0,1,0,1,0,0|2,0,0]=4 2081 B20R1.642132 COC(=O)CCCC(=O)NCCCN1CCCCCC1 240690a_100000181460_100000239890 [0,1,0,1,0,0|2,0,0]=4 2082 B20R1.642132 COC(=O)CCCC(=O)NCCCN1CCCCCC1 527a_100000181460_100000239890 [0,1,0,1,0,0|2,0,0]=4 2083 B20R1.642132 COC(=O)CCNC(=O)CNCCC1CCCCCC1 2230a_100011532351_100000230212 [0,1,0,1,0,0|2,0,0]=4 2084 B20R1.642132 COC(=O)CCNC(=O)CNCCC1CCCCCC1 34a_100011532351_100000230212 [0,1,0,1,0,0|2,0,0]=4 2085 B20R1.702205 COC(=O)CCCC(=O)NCCC1CCCCCCC1 11a_100011532352_100000239890 [0,1,0,1,0,0|1,0,0]=3 2086 B20R1.702205 COC(=O)CCCC(=O)NCCC1CCCCCCC1 1626a_100011532352_100000239890 [0,1,0,1,0,0|1,0,0]=3 2087 B20R1.702205 COC(=O)CCCC(=O)NCCC1CCCCCCC1 240690a_100011532352_100000239890 [0,1,0,1,0,0|1,0,0]=3 2088 B20R1.702205 COC(=O)CCCC(=O)NCCC1CCCCCCC1 527a_100011532352_100000239890 [0,1,0,1,0,0|1,0,0]=3 2089 B20R1.702205 COC(=O)CCNC(=O)COCC1CCCCCCC1 34a_100011216312_100000230212 [0,1,0,1,0,0|2,0,0]=4 2090 B20R1.702205 COC(=O)CCNC(=O)COCC1CCCCCCC1 7a_100011216312_100000230212 [0,1,0,1,0,0|2,0,0]=4 2091 B20R1.702205 COC(=O)CSCC(=O)NCCC1CCCCCCC1 11a_100011532352_100000191316 [0,1,0,1,0,0|2,0,0]=4 2092 B20R1.702205 COC(=O)CSCC(=O)NCCC1CCCCCCC1 1626a_100011532352_100000191316 [0,1,0,1,0,0|2,0,0]=4 2093 B20R1.702205 COC(=O)CSCC(=O)NCCC1CCCCCCC1 240690a_100011532352_100000191316 [0,1,0,1,0,0|2,0,0]=4 2094 B20R1.788320 C=CCCCCCCCCCC(=O)C1CC1C(=O)OC 1458a_100000750770_100009814027 [0,1,0,1,0,0|0,0,2]=4 2095 B20R1.788320 CCCCCCCCCCCC(=O)C1CC1C(=O)OC 1458a_100000750770_100011215454 [0,1,0,1,0,0|0,0,0]=2 2096 B20R1.788320 CCCCCCCCCCCC(=O)N1CC1C(=O)OC 240690a_200009830135_100000210736 [0,1,0,1,0,0|1,0,0]=3 2097 B20R1.788320 CCCCCCCCCCNC(=O)C1CC1C(=O)OC 11a_100000684558_100000750770 [0,1,0,1,0,0|1,0,0]=3 2098 B20R1.788320 CCCCCCCCCCNC(=O)C1CC1C(=O)OC 240690a_100000684558_100000750770 [0,1,0,1,0,0|1,0,0]=3 2099 B20R1.788320 COC(=O)C1CC1C(=O)CCCCCCCCCCO 1458a_100000750770_100009813290 [0,1,0,1,0,0|1,0,0]=3 2100 B20R1.788320 COC(=O)C1CC1C(=O)NCCCCCCCCCO 240690a_100000078944_100000750770 [0,1,0,1,0,0|2,0,0]=4 2101 B20R1.788320 COC(=O)C1CN1C(=O)CCCCCCCCCCO 240690a_200009830135_200000016029 [0,1,0,1,0,0|2,0,0]=4 2102 B20R1.788339 CCCCCCCCCCCC(=O)C1CCN(C1=O)C 1458a_100000137746_100011215454 [0,1,0,1,0,0|2,0,0]=4 2103 B20R1.788339 CCCCCCCCCCCC(=O)C1CCN(C1=O)C 1458a_100000210736_100000755940 [0,1,0,1,0,0|2,0,0]=4 2104 B20R1.788339 CCCCCCCCCCCC(=O)[C@H]1CCC(=O)N1C 1458a_100010979499_100011215454 [0,1,0,1,0,0|1,0,0]=3 2105 B20R1.788339 CCCCCCCCCCNC(=O)[C@H]1CCC(=O)N1C 11a_100000684558_100010979499 [0,1,0,1,0,0|2,0,0]=4 2106 B20R1.788339 CCCCCCCCCCNC(=O)[C@H]1CCC(=O)N1C 1626a_100000684558_100010979499 [0,1,0,1,0,0|2,0,0]=4 2107 B20R1.788339 CCCCCCCCCCNC(=O)[C@H]1CCC(=O)N1C 240690a_100000684558_100010979499 [0,1,0,1,0,0|2,0,0]=4 2108 B20R1.788339 CCCCCCCCCCNC(=O)[C@H]1CCC(=O)N1C 527a_100000684558_100010979499 [0,1,0,1,0,0|2,0,0]=4 2109 B20R1.788339 CN1C(=O)CC[C@@H]1C(=O)CCCCCCCCCCO 1458a_100010979499_100009813290 [0,1,0,1,0,0|2,0,0]=4 2110 B20R1.788340 CCCCCCCCCCCC(=O)C1CCS(=O)(=O)C1 1458a_100000209820_100011215454 [0,1,0,1,0,0|1,0,1]=4 2111 B20R1.788324 CCCCCCCCCCCC(=O)C1CN(C1)C(=O)C 1458a_100000754717_100011215454 [0,1,0,1,0,0|2,0,0]=4 2112 B20R1.788324 CCCCCCCCCCCC(=O)N1CC(C1)C(=O)N 240690a_100025753142_100000210736 [0,1,0,1,0,0|2,0,0]=4 2113 B20R1.68698 CCCCCCCCCCCC(=O)C1CC(=O)N(C1)C 1458a_100000187535_100011215454 [0,1,0,1,0,0|2,0,0]=4 2114 B20R1.3373 CCCCCCCCCCN(C)C(=O)C1CCC(=O)N1 240690a_100000207566_100000210400 [0,1,0,1,0,0|2,0,0]=4 2115 B20R1.3373 CCCCCCCCCCN(C)C(=O)[C@@H]1CCC(=O)O1 11a_100000207566_100009814974 [0,1,0,1,0,0|1,0,0]=3 2116 B20R1.3373 CCCCCCCCCCN(C)C(=O)[C@@H]1CCC(=O)O1 1626a_100000207566_100009814974 [0,1,0,1,0,0|1,0,0]=3 2117 B20R1.3373 CCCCCCCCCCN(C)C(=O)[C@@H]1CCC(=O)O1 240690a_100000207566_100009814974 [0,1,0,1,0,0|1,0,0]=3 2118 B20R1.3373 CCCCCCCCCCN(C)C(=O)[C@@H]1CCC(=O)O1 527a_100000207566_100009814974 [0,1,0,1,0,0|1,0,0]=3 2119 B20R2.3655 CCC1CCCCN1CCNC(=O)[C@@H]2CCC(=O)O2 11a_100000755458_100009814974 [0,0,0,2,0,0|2,0,0]=4 2120 B20R2.3655 CCC1CCCCN1CCNC(=O)[C@@H]2CCC(=O)O2 1626a_100000755458_100009814974 [0,0,0,2,0,0|2,0,0]=4 2121 B20R2.3655 CCC1CCCCN1CCNC(=O)[C@@H]2CCC(=O)O2 240690a_100000755458_100009814974 [0,0,0,2,0,0|2,0,0]=4 2122 B20R2.3655 CCC1CCCCN1CCNC(=O)[C@@H]2CCC(=O)O2 527a_100000755458_100009814974 [0,0,0,2,0,0|2,0,0]=4 2123 B20R2.19902 COCCCC1CCCCN1C(=O)[C@@H]2CCC(=O)O2 11a_100011804088_100009814974 [0,0,0,2,0,0|2,0,0]=4 2124 B20R2.19902 COCCCC1CCCCN1C(=O)[C@@H]2CCC(=O)O2 1626a_100011804088_100009814974 [0,0,0,2,0,0|2,0,0]=4 2125 B20R2.19902 COCCCC1CCCCN1C(=O)[C@@H]2CCC(=O)O2 240690a_100011804088_100009814974 [0,0,0,2,0,0|2,0,0]=4 2126 B20R2.19902 COCCCC1CCCCN1C(=O)[C@@H]2CCC(=O)O2 527a_100011804088_100009814974 [0,0,0,2,0,0|2,0,0]=4 2127 B20R2.67406 O=C1CC[C@H](O1)C(=O)CCCCOC2CCCCO2 1458a_100009814974_100000031530 [0,0,0,2,0,0|2,0,0]=4 2128 B20R2.67406 O=C1CC[C@H](O1)C(=O)NCCCCN2CCCCC2 240690a_200011207366_100009814974 [0,0,0,2,0,0|2,0,0]=4 2129 B20R2.67406 O=C1CC[C@H](O1)C(=O)NCCCOC2CCCCC2 11a_100000205933_100009814974 [0,0,0,2,0,0|2,0,0]=4 2130 B20R2.67406 O=C1CC[C@H](O1)C(=O)NCCCOC2CCCCC2 1626a_100000205933_100009814974 [0,0,0,2,0,0|2,0,0]=4 2131 B20R2.67406 O=C1CC[C@H](O1)C(=O)NCCCOC2CCCCC2 240690a_100000205933_100009814974 [0,0,0,2,0,0|2,0,0]=4 2132 B20R2.67406 O=C1CC[C@H](O1)C(=O)NCCCOC2CCCCC2 527a_100000205933_100009814974 [0,0,0,2,0,0|2,0,0]=4 2133 B20R2.67418 O=C1CC[C@H](O1)C(=O)NCCCCCN2CCCC2 1626a_100011491779_100009814974 [0,0,0,2,0,0|2,0,0]=4 2134 B20R2.67418 O=C1CC[C@H](O1)C(=O)NCCCCCN2CCCC2 240690a_100011491779_100009814974 [0,0,0,2,0,0|2,0,0]=4 2135 B20R2.2660867 O=C1CC[C@H](O1)C(=O)NCCCN2CCCCCC2 11a_100000181460_100009814974 [0,0,0,2,0,0|2,0,0]=4 2136 B20R2.2660867 O=C1CC[C@H](O1)C(=O)NCCCN2CCCCCC2 240690a_100000181460_100009814974 [0,0,0,2,0,0|2,0,0]=4 2137 B20R2.2660867 O=C1CC[C@H](O1)C(=O)NCCCN2CCCCCC2 527a_100000181460_100009814974 [0,0,0,2,0,0|2,0,0]=4 2138 B20R2.2661748 CC1CCCCN1CCCNC(=O)[C@@H]2CCC(=O)O2 240690a_100000212276_100009814974 [0,0,0,2,0,0|2,0,0]=4 2139 B20R2.2661748 CC1CCCCN1CCCNC(=O)[C@@H]2CCC(=O)O2 527a_100000212276_100009814974 [0,0,0,2,0,0|2,0,0]=4 2140 B20R2.2661881 O=C1CCC(N1)C(=O)NCCC2CCCCCCC2 240690a_100011532352_100000210400 [0,0,0,2,0,0|2,0,0]=4 2141 B20R2.2661881 O=C1CC[C@H](O1)C(=O)NCCC2CCCCCCC2 11a_100011532352_100009814974 [0,0,0,2,0,0|1,0,0]=3 2142 B20R2.2661881 O=C1CC[C@H](O1)C(=O)NCCC2CCCCCCC2 1626a_100011532352_100009814974 [0,0,0,2,0,0|1,0,0]=3 2143 B20R2.2661881 O=C1CC[C@H](O1)C(=O)NCCC2CCCCCCC2 240690a_100011532352_100009814974 [0,0,0,2,0,0|1,0,0]=3 2144 B20R2.2661881 O=C1CC[C@H](O1)C(=O)NCCC2CCCCCCC2 527a_100011532352_100009814974 [0,0,0,2,0,0|1,0,0]=3 2145 B20R2.99320 O=C(CCCCCN1CCCCC1)CC2CC(=O)C2 1458a_100012051570_100009874392 [0,0,0,2,0,0|2,0,0]=4 2146 B16R0.3183 C=C(C)CCC(=O)CCCCCCCCCC 1458a_100000210375_100000730704 [1,0,0,0,1,0|2,0,0]=4 2147 B16R0.3183 C=C(C)CCC(=O)CCCCCCCCCC 1458a_200000688413_100000210319 [1,0,0,0,1,0|2,0,0]=4 2148 B16R0.3183 CCCCCCCCCCC(=O)CCC(=O)N 1458a_100011215257_100000210319 [1,0,0,0,1,0|1,0,0]=3 2149 B16R0.3183 CCCCCCCCCCC(=O)CCC(C)O 1458a_100000210375_100012276601 [1,0,0,0,1,0|1,0,1]=4 2150 B16R0.3183 CCCCCCCCCCC(=O)CC[N+](=O)[O-] 1458a_200000064761_100000210319 [1,0,0,0,1,0|1,0,1]=4 2151 B16R0.3183 CCCCCCCCCCC(=O)CNC(=O)C 1458a_100000194580_100000210319 [1,0,0,0,1,0|2,0,0]=4 2152 B16R0.3183 CCCCCCCCCCC(=O)CNC(=O)N 1458a_100000184981_100000210319 [1,0,0,0,1,0|2,0,0]=4 2153 B16R0.3183 CCCCCCCCCCC(=O)COC(=O)C 1458a_100000183556_100000210319 [1,0,0,0,1,0|2,0,0]=4 2154 B16R0.3183 CCCCCCCCCCC(=O)CSC(=O)C 1458a_100000049016_100000210319 [1,0,0,0,1,0|2,0,0]=4 2155 B16R0.3183 CCCCCCCCCCC(=O)NCC(=O)N 11a_100000711301_100000210375 [1,0,0,0,1,0|2,0,0]=4 2156 B16R0.3183 CCCCCCCCCCC(=O)NCC(=O)N 240690a_100000711301_100000210375 [1,0,0,0,1,0|2,0,0]=4 2157 B16R0.3183 CCCCCCCCCNC(=O)CCC(=O)N 240690a_100000212291_100011215257 [1,0,0,0,1,0|2,0,0]=4 2158 B16R0.3183 CCCCCCCCCNC(=O)CCC(=O)N 527a_100000212291_100011215257 [1,0,0,0,1,0|2,0,0]=4 2159 B16R0.3183 CCCCCCCCNCC(=O)NCC(=O)O 269956a_100000183575_100000210759 [1,0,0,0,1,0|2,0,0]=4 2160 B16R0.3183 CCCCCCCNCCC(=O)NCC(=O)O 269956a_100000722369_100000210614 [1,0,0,0,1,0|2,0,0]=4 2161 B16R0.3183 NC(=O)CCC(=O)CCCCCCCCCO 1458a_100011215257_100009813782 [1,0,0,0,1,0|2,0,0]=4 2162 B16R0.302 C=C(C)CC(=O)CCCCCCCCCCC 1458a_100000210736_100000748629 [0,0,0,0,2,0|2,0,0]=4 2163 B16R0.302 C=C(F)CC(=O)CCCCCCCCCCC 1458a_100000210736_100009893438 [0,0,0,0,2,0|2,0,0]=4 2164 B16R0.302 CCCCCCCCCCCC(=O)CC(=O)N 1458a_100000210736_100000187820 [0,0,0,0,2,0|1,0,0]=3 2165 B16R0.302 CCCCCCCCCCCC(=O)CC(=O)N 1458a_100134613110_100011215454 [0,0,0,0,2,0|1,0,0]=3 2166 B16R0.302 CCCCCCCCCCCC(=O)CC(=O)[O-] 1458a_100000210736_100020667443 [0,0,0,0,2,0|0,0,1]=3 2167 B16R0.302 CCCCCCCCCCCC(=O)CC(C)O 1458a_100000210736_100011218427 [0,0,0,0,2,0|1,0,1]=4 2168 B16R0.302 CCCCCCCCCCCC(=O)C[C@@H](C)O 1458a_100011933948_100011215454 [0,0,0,0,2,0|1,0,1]=4 2169 B16R0.302 CCCCCCCCCCCC(=O)C[N+](=O)[O-] 1458a_100000210736_100000761209 [0,0,0,0,2,0|1,0,1]=4 2170 B16R0.302 CCCCCCCCCCCN(C)CC(=O)O 269956a_100000746989_100011215454 [0,0,0,0,2,0|2,0,0]=4 2171 B16R0.302 CCCCCCCCCCNC(=O)CC(=O)N 240690a_100000684558_100134613110 [0,0,0,0,2,0|2,0,0]=4 2172 B16R0.302 CCCCCCCCCCNC(=O)CC(=O)N 527a_100000684558_100134613110 [0,0,0,0,2,0|2,0,0]=4 2173 B16R0.302 CCCCCCCCCCOC(=O)CC(=O)C 1458a_100000070787_100000210668 [0,0,0,0,2,0|2,0,0]=4 2174 B16R0.302 NC(=O)CC(=O)CCCCCCCCCCO 1458a_100134613110_100009813290 [0,0,0,0,2,0|2,0,0]=4 2175 B20R0.10422 CC(=O)NCCCNC(=O)CCCCCCCCCCO 240690a_100000736810_200000016029 [0,0,0,0,0,2|2,0,0]=4 2176 B20R0.10422 CCCCCCCCCCCC(=O)NCCCNC(=O)C 11a_100000736810_100000210736 [0,0,0,0,0,2|1,0,0]=3 2177 B20R0.10422 CCCCCCCCCCCC(=O)NCCCNC(=O)C 240690a_100000736810_100000210736 [0,0,0,0,0,2|1,0,0]=3 2178 B20R0.10422 CCCCCCCCCCCC(=O)OCSCOC(=O)C 62a_100000076356_100020644155 [0,0,0,0,0,2|2,0,0]=4 2179 B20R0.10422 CCCCCCCCCCNC(=O)NCCCCC(=O)N 273464a_100000684558_100000696515 [0,0,0,0,0,2|2,0,0]=4 2180 B20R0.10422 CCCCCCCCCCNC(=O)NCCCCC(=O)N 273464a_100000696515_100000684558 [0,0,0,0,0,2|2,0,0]=4 2181 B20R0.10422 CCCCCCCCCCNC(=O)NCCCCC(=O)N 512a_100000684558_100000696515 [0,0,0,0,0,2|2,0,0]=4 2182 B20R0.10422 CCCCCCCCCCNC(=O)NCCCCC(=O)N 512a_100000696515_100000684558 [0,0,0,0,0,2|2,0,0]=4 2183 B20R0.10422 CCCCCCCCCCNC(=O)NCCCNC(=O)C 2708a_100000684558_100000736810 [0,0,0,0,0,2|2,0,0]=4 2184 B20R0.10422 CCCCCCCCCCNC(=O)NCCCNC(=O)C 2708a_100000736810_100000684558 [0,0,0,0,0,2|2,0,0]=4 2185 B20R0.10422 CCCCCCCCCCNC(=O)NCCCNC(=O)C 273464a_100000684558_100000736810 [0,0,0,0,0,2|2,0,0]=4 2186 B20R0.10422 CCCCCCCCCCNC(=O)NCCCNC(=O)C 273464a_100000736810_100000684558 [0,0,0,0,0,2|2,0,0]=4 2187 B20R0.10422 CCCCCCCCCCNC(=O)NCCCNC(=O)C 512a_100000684558_100000736810 [0,0,0,0,0,2|2,0,0]=4 2188 B20R0.10422 CCCCCCCCCCNC(=O)NCCCNC(=O)C 512a_100000736810_100000684558 [0,0,0,0,0,2|2,0,0]=4 2189 B20R0.10422 CCCCCCCCCCOC(=O)CNCCNC(=O)C 2230a_100000209853_100000210668 [0,0,0,0,0,2|2,0,0]=4 2190 B20R0.10422 CCCCCCCCCCOC(=O)CNCCNC(=O)N 34a_100020590234_100000210668 [0,0,0,0,0,2|2,0,0]=4 2191 B20R0.10422 CCCCCCCCCCOC(=O)COCCNC(=O)C 34a_100000158858_100000210668 [0,0,0,0,0,2|2,0,0]=4 2192 B20R0.10422 CCCCCCCCCCOC(=O)COCCNC(=O)N 34a_100000181757_100000210668 [0,0,0,0,0,2|2,0,0]=4 2193 B20R0.10422 CCCCCCCCCCOC(=O)COCCOC(=O)N 7a_100000766696_100000210668 [0,0,0,0,0,2|2,0,0]=4 2194 B20R0.10422 CCCCCCCCCCOC(=O)CSCCNC(=O)C 62a_100000189650_100000680656 [0,0,0,0,0,2|2,0,0]=4 2195 B20R0.10422 CCCCCCCCCCOC(=O)CSCCNC(=O)C 62a_100000680656_100000189650 [0,0,0,0,0,2|2,0,0]=4 2196 B20R0.10422 CCCCCCCCCCOC(=O)CSCCNC(=O)N 62a_100000680656_200000034859 [0,0,0,0,0,2|2,0,0]=4 2197 B20R0.10422 CCCCCCCCCCOC(=O)CSCCNC(=O)N 62a_200000034859_100000680656 [0,0,0,0,0,2|2,0,0]=4 2198 B20R0.10422 CCCCCCCCCCOC(=O)CSCCOC(=O)C 62a_100000680656_100009814007 [0,0,0,0,0,2|2,0,0]=4 2199 B20R0.10422 CCCCCCCCCCOC(=O)CSCCOC(=O)C 62a_100009814007_100000680656 [0,0,0,0,0,2|2,0,0]=4 2200 B20R0.10422 CCCCCCCCCCOC(=O)CSCCOC(=O)N 62a_100000680656_200011214921 [0,0,0,0,0,2|2,0,0]=4 2201 B20R0.10422 CCCCCCCCCCOC(=O)CSCCOC(=O)N 62a_200011214921_100000680656 [0,0,0,0,0,2|2,0,0]=4