0 B12R0.233 C#CCCCC(=O)CCCC(=O)C 1458a_100000690238_100011215641 [0,0,0,0,0,0|1,0,2]=3 1 B12R0.233 C#CCCCC(=O)CCCC(=O)N 1458a_100000690238_100102525003 [0,0,0,0,0,0|1,0,2]=3 2 B12R0.233 C#CCCCC(=O)CCCC(C)O 1458a_100000690238_200000718107 [0,0,0,0,0,0|1,0,3]=4 3 B12R0.233 C#CCCCC(=O)CCC[N+](=O)[O-] 1458a_100016109205_100000731252 [0,0,0,0,0,0|1,0,3]=4 4 B12R0.233 C#CCCCC(=O)CCNC(=O)C 1458a_100000183196_100000731252 [0,0,0,0,0,0|2,0,2]=4 5 B12R0.233 C#CCCCC(=O)CCNC(=O)C 1458a_100000690238_100000189650 [0,0,0,0,0,0|2,0,2]=4 6 B12R0.233 C#CCCCC(=O)CCNC(=O)N 1458a_100000181464_100000731252 [0,0,0,0,0,0|2,0,2]=4 7 B12R0.233 C#CCCCC(=O)CCNC(=O)N 1458a_100000690238_200000034859 [0,0,0,0,0,0|2,0,2]=4 8 B12R0.233 C#CCCCC(=O)CCOC(=O)C 1458a_100000690238_100009814007 [0,0,0,0,0,0|2,0,2]=4 9 B12R0.233 C#CCCCC(=O)CCOC(=O)N 1458a_100000690238_200011214921 [0,0,0,0,0,0|2,0,2]=4 10 B12R0.233 C#CCCCC(=O)CCSC(=O)C 1458a_100000048949_100000731252 [0,0,0,0,0,0|2,0,2]=4 11 B12R0.233 C#CCCCC(=O)COCC(=O)N 1458a_100011219004_100000731252 [0,0,0,0,0,0|2,0,2]=4 12 B12R0.233 C#CCCCC(=O)NCCC(=O)N 11a_100000740010_100000690238 [0,0,0,0,0,0|2,0,2]=4 13 B12R0.233 C#CCCCC(=O)NCCC(=O)N 240690a_100000740010_100000690238 [0,0,0,0,0,0|2,0,2]=4 14 B12R0.233 C#CCCCC(=O)NCCC(=O)N 527a_100000740010_100000690238 [0,0,0,0,0,0|2,0,2]=4 15 B12R0.233 C#CCCCN(C)CCCC(=O)O 269956a_100000719178_100011215417 [0,0,0,0,0,0|2,0,2]=4 16 B12R0.233 C#CCOCC(=O)CCCC(=O)C 1458a_100011251226_100011215641 [0,0,0,0,0,0|2,0,2]=4 17 B12R0.233 C#CCOCC(=O)CCCC(=O)N 1458a_100011251226_100102525003 [0,0,0,0,0,0|2,0,2]=4 18 B12R0.233 C=C(C)CNNC(=O)CCCCC 22a_100000729518_100000212188 [0,0,0,0,0,0|4,0,0]=4 19 B12R0.233 C=C(C)COCC(=O)CCCCC 34a_100000210245_200012276598 [0,0,0,0,0,0|3,0,0]=3 20 B12R0.233 C=C(C)COCC(=O)NCCCC 34a_100000210245_100000182744 [0,0,0,0,0,0|4,0,0]=4 21 B12R0.233 C=C(C)COCC(=O)OCCCC 34a_100000210245_100000211628 [0,0,0,0,0,0|4,0,0]=4 22 B12R0.233 C=C(C)CSCC(=O)CCCCC 62a_100000748629_200012276598 [0,0,0,0,0,0|3,0,0]=3 23 B12R0.233 C=C(C)CSCC(=O)CCCCC 62a_200012276598_100000211660 [0,0,0,0,0,0|3,0,0]=3 24 B12R0.233 C=C(C)CSCC(=O)NCCCC 62a_100000182744_100000211660 [0,0,0,0,0,0|4,0,0]=4 25 B12R0.233 C=C(C)CSCC(=O)NCCCC 62a_100000748629_100000182744 [0,0,0,0,0,0|4,0,0]=4 26 B12R0.233 C=C(C)CSCC(=O)OCCCC 62a_100000211628_100000211660 [0,0,0,0,0,0|4,0,0]=4 27 B12R0.233 C=C(C)CSCC(=O)OCCCC 62a_100000748629_100000211628 [0,0,0,0,0,0|4,0,0]=4 28 B12R0.233 C=C(F)COCC(=O)CCCCC 34a_200010262243_200012276598 [0,0,0,0,0,0|3,0,0]=3 29 B12R0.233 C=C(F)COCC(=O)NCCCC 34a_200010262243_100000182744 [0,0,0,0,0,0|4,0,0]=4 30 B12R0.233 C=C(F)COCC(=O)OCCCC 34a_200010262243_100000211628 [0,0,0,0,0,0|4,0,0]=4 31 B12R0.233 C=C(F)CSCC(=O)CCCCC 62a_100000042424_200012276598 [0,0,0,0,0,0|3,0,0]=3 32 B12R0.233 C=C(F)CSCC(=O)CCCCC 62a_200012276598_100000042424 [0,0,0,0,0,0|3,0,0]=3 33 B12R0.233 C=C(F)CSCC(=O)NCCCC 62a_100000042424_100000182744 [0,0,0,0,0,0|4,0,0]=4 34 B12R0.233 C=C(F)CSCC(=O)NCCCC 62a_100000182744_100000042424 [0,0,0,0,0,0|4,0,0]=4 35 B12R0.233 C=C(F)CSCC(=O)OCCCC 62a_100000042424_100000211628 [0,0,0,0,0,0|4,0,0]=4 36 B12R0.233 C=C(F)CSCC(=O)OCCCC 62a_100000211628_100000042424 [0,0,0,0,0,0|4,0,0]=4 37 B12R0.233 C=CCCCC(=O)CCCC(=O)C 1458a_100000766728_100011215641 [0,0,0,0,0,0|1,0,2]=3 38 B12R0.233 C=CCCCC(=O)CCCC(=O)N 1458a_100000766728_100102525003 [0,0,0,0,0,0|1,0,2]=3 39 B12R0.233 C=CCCCC(=O)CCCC(C)O 1458a_100000766728_200000718107 [0,0,0,0,0,0|1,0,3]=4 40 B12R0.233 C=CCCCC(=O)CCC[N+](=O)[O-] 1458a_100016109205_100000757094 [0,0,0,0,0,0|1,0,3]=4 41 B12R0.233 C=CCCCC(=O)CCNC(=O)C 1458a_100000183196_100000757094 [0,0,0,0,0,0|2,0,2]=4 42 B12R0.233 C=CCCCC(=O)CCNC(=O)C 1458a_100000766728_100000189650 [0,0,0,0,0,0|2,0,2]=4 43 B12R0.233 C=CCCCC(=O)CCNC(=O)N 1458a_100000181464_100000757094 [0,0,0,0,0,0|2,0,2]=4 44 B12R0.233 C=CCCCC(=O)CCNC(=O)N 1458a_100000766728_200000034859 [0,0,0,0,0,0|2,0,2]=4 45 B12R0.233 C=CCCCC(=O)CCOC(=O)C 1458a_100000766728_100009814007 [0,0,0,0,0,0|2,0,2]=4 46 B12R0.233 C=CCCCC(=O)CCOC(=O)N 1458a_100000766728_200011214921 [0,0,0,0,0,0|2,0,2]=4 47 B12R0.233 C=CCCCC(=O)CCSC(=O)C 1458a_100000048949_100000757094 [0,0,0,0,0,0|2,0,2]=4 48 B12R0.233 C=CCCCC(=O)COCC(=O)N 1458a_100011219004_100000757094 [0,0,0,0,0,0|2,0,2]=4 49 B12R0.233 C=CCCCC(=O)NCCC(=O)N 11a_100000740010_100000766728 [0,0,0,0,0,0|2,0,2]=4 50 B12R0.233 C=CCCCC(=O)NCCC(=O)N 240690a_100000740010_100000766728 [0,0,0,0,0,0|2,0,2]=4 51 B12R0.233 C=CCCCC(=O)NCCC(=O)N 527a_100000740010_100000766728 [0,0,0,0,0,0|2,0,2]=4 52 B12R0.233 C=CCCCN(C)CCCC(=O)O 269956a_100000719178_100011713584 [0,0,0,0,0,0|2,0,2]=4 53 B12R0.233 C=CCSCC(=O)CCCC(=O)C 1458a_100000230395_100011215641 [0,0,0,0,0,0|2,0,2]=4 54 B12R0.233 C=CCSCC(=O)CCCC(=O)N 1458a_100000230395_100102525003 [0,0,0,0,0,0|2,0,2]=4 55 B12R0.233 CC(=CCCC(=O)CCCCO)C 1458a_100000695505_100011217483 [0,0,0,0,0,0|3,0,1]=4 56 B12R0.233 CC(=O)CCCC(=O)CCCC#N 1458a_100000075515_100011215641 [0,0,0,0,0,0|2,0,1]=3 57 B12R0.233 CC(=O)CCCC(=O)CCCCO 1458a_100000695505_100011215641 [0,0,0,0,0,0|2,0,0]=2 58 B12R0.233 CC(=O)CCCC(=O)CCN=[N+]=[N-] 1458a_100000688302_100011215641 [0,0,0,0,0,0|4,0,0]=4 59 B12R0.233 CC(=O)CCCC(=O)COCCO 1458a_100000708028_100011215641 [0,0,0,0,0,0|3,0,0]=3 60 B12R0.233 CC(=O)CCCC(=O)CSCC#N 1458a_100000150266_100011215641 [0,0,0,0,0,0|3,0,1]=4 61 B12R0.233 CC(=O)CCCN(C)CCCCO 269982a_100000717598_100011215641 [0,0,0,0,0,0|4,0,0]=4 62 B12R0.233 CC(=O)NCCC(=O)CCCC#N 1458a_100000075515_100000189650 [0,0,0,0,0,0|3,0,1]=4 63 B12R0.233 CC(=O)NCCC(=O)CCCC#N 1458a_100000183196_100000211468 [0,0,0,0,0,0|3,0,1]=4 64 B12R0.233 CC(=O)NCCC(=O)CCCCF 1458a_100000183196_100000729493 [0,0,0,0,0,0|3,0,0]=3 65 B12R0.233 CC(=O)NCCC(=O)CCCCO 1458a_100000183196_100000210776 [0,0,0,0,0,0|3,0,0]=3 66 B12R0.233 CC(=O)NCCC(=O)CCCCO 1458a_100000695505_100000189650 [0,0,0,0,0,0|3,0,0]=3 67 B12R0.233 CC(=O)NCCC(=O)COCCO 1458a_100000708028_100000189650 [0,0,0,0,0,0|4,0,0]=4 68 B12R0.233 CC(=O)NCCC(=O)NCCCF 11a_100015189416_100000183196 [0,0,0,0,0,0|4,0,0]=4 69 B12R0.233 CC(=O)NCCC(=O)NCCCF 1626a_100015189416_100000183196 [0,0,0,0,0,0|4,0,0]=4 70 B12R0.233 CC(=O)NCCC(=O)NCCCF 240690a_100015189416_100000183196 [0,0,0,0,0,0|4,0,0]=4 71 B12R0.233 CC(=O)NCCC(=O)NCCCF 527a_100015189416_100000183196 [0,0,0,0,0,0|4,0,0]=4 72 B12R0.233 CC(=O)NCCC(=O)NCCCO 240690a_100000182051_100000183196 [0,0,0,0,0,0|4,0,0]=4 73 B12R0.233 CC(=O)NCCC(=O)NCCCO 527a_100000182051_100000183196 [0,0,0,0,0,0|4,0,0]=4 74 B12R0.233 CC(=O)OCCC(=O)CCCC#N 1458a_100000075515_100009814007 [0,0,0,0,0,0|3,0,1]=4 75 B12R0.233 CC(=O)OCCC(=O)CCCCO 1458a_100000695505_100009814007 [0,0,0,0,0,0|3,0,0]=3 76 B12R0.233 CC(=O)OCCC(=O)COCCO 1458a_100000708028_100009814007 [0,0,0,0,0,0|4,0,0]=4 77 B12R0.233 CC(=O)SCCC(=O)CCCC#N 1458a_100000048949_100000211468 [0,0,0,0,0,0|3,0,1]=4 78 B12R0.233 CC(=O)SCCC(=O)CCCCF 1458a_100000048949_100000729493 [0,0,0,0,0,0|3,0,0]=3 79 B12R0.233 CC(=O)SCCC(=O)CCCCO 1458a_100000048949_100000210776 [0,0,0,0,0,0|3,0,0]=3 80 B12R0.233 CC(=O)SCCC(=O)NCCCF 1626a_100015189416_100000048949 [0,0,0,0,0,0|4,0,0]=4 81 B12R0.233 CC(=O)SCCC(=O)NCCCF 240690a_100015189416_100000048949 [0,0,0,0,0,0|4,0,0]=4 82 B12R0.233 CC(=O)SCCC(=O)NCCCO 240690a_100000182051_100000048949 [0,0,0,0,0,0|4,0,0]=4 83 B12R0.233 CC(C)CCCC(=O)CCCCF 1458a_100011216857_100000729493 [0,0,0,0,0,0|3,0,1]=4 84 B12R0.233 CC(C)CCCC(=O)CCCCO 1458a_100000695505_100011214892 [0,0,0,0,0,0|3,0,1]=4 85 B12R0.233 CC(C)CCCC(=O)CCCCO 1458a_100011216857_100000210776 [0,0,0,0,0,0|3,0,1]=4 86 B12R0.233 CC(O)CCCC(=O)CCCC#N 1458a_100000075515_200000718107 [0,0,0,0,0,0|2,0,2]=4 87 B12R0.233 CC(O)CCCC(=O)CCCCO 1458a_100000695505_200000718107 [0,0,0,0,0,0|2,0,1]=3 88 B12R0.233 CC(O)CCCC(=O)COCCO 1458a_100000708028_200000718107 [0,0,0,0,0,0|3,0,1]=4 89 B12R0.233 CC(O)CCCC(=O)NCCCF 1626a_100015189416_100000761597 [0,0,0,0,0,0|3,0,1]=4 90 B12R0.233 CC(O)CCCC(=O)NCCCF 527a_100015189416_100000761597 [0,0,0,0,0,0|3,0,1]=4 91 B12R0.233 CC(O)CCCC(=O)NCCCO 527a_100000182051_100000761597 [0,0,0,0,0,0|3,0,1]=4 92 B12R0.233 CC/C=C/CC(=O)CCCC(=O)C 1458a_100016274230_100011215641 [0,0,0,0,0,0|1,0,2]=3 93 B12R0.233 CC/C=C/CC(=O)CCCC(=O)N 1458a_100016274230_100102525003 [0,0,0,0,0,0|1,0,2]=3 94 B12R0.233 CC/C=C/CC(=O)CCCC(C)O 1458a_100016274230_200000718107 [0,0,0,0,0,0|1,0,3]=4 95 B12R0.233 CC/C=C/CC(=O)CCNC(=O)C 1458a_100016274230_100000189650 [0,0,0,0,0,0|2,0,2]=4 96 B12R0.233 CC/C=C/CC(=O)CCNC(=O)N 1458a_100016274230_200000034859 [0,0,0,0,0,0|2,0,2]=4 97 B12R0.233 CC/C=C/CC(=O)CCOC(=O)C 1458a_100016274230_100009814007 [0,0,0,0,0,0|2,0,2]=4 98 B12R0.233 CC/C=C/CC(=O)CCOC(=O)N 1458a_100016274230_200011214921 [0,0,0,0,0,0|2,0,2]=4 99 B12R0.233 CC/C=C/CC(=O)NCCC(=O)N 11a_100000740010_100016274230 [0,0,0,0,0,0|2,0,2]=4 100 B12R0.233 CC/C=C/CC(=O)NCCC(=O)N 240690a_100000740010_100016274230 [0,0,0,0,0,0|2,0,2]=4 101 B12R0.233 CC/C=C/CC(=O)NCCC(=O)N 527a_100000740010_100016274230 [0,0,0,0,0,0|2,0,2]=4 102 B12R0.233 CC/C=C\CC(=O)CCC[N+](=O)[O-] 1458a_100016109205_100103147603 [0,0,0,0,0,0|1,0,3]=4 103 B12R0.233 CC/C=C\CC(=O)CCNC(=O)C 1458a_100000183196_100103147603 [0,0,0,0,0,0|2,0,2]=4 104 B12R0.233 CC/C=C\CC(=O)CCNC(=O)N 1458a_100000181464_100103147603 [0,0,0,0,0,0|2,0,2]=4 105 B12R0.233 CC/C=C\CC(=O)CCSC(=O)C 1458a_100000048949_100103147603 [0,0,0,0,0,0|2,0,2]=4 106 B12R0.233 CC/C=C\CC(=O)COCC(=O)N 1458a_100011219004_100103147603 [0,0,0,0,0,0|2,0,2]=4 107 B12R0.233 CC/C=C\CN(C)CCCC(=O)O 269956a_100000719178_100103147603 [0,0,0,0,0,0|2,0,2]=4 108 B12R0.233 CCC#CCC(=O)CCC[N+](=O)[O-] 1458a_100016109205_100009813939 [0,0,0,0,0,0|1,0,3]=4 109 B12R0.233 CCC#CCC(=O)CCNC(=O)C 1458a_100000183196_100009813939 [0,0,0,0,0,0|2,0,2]=4 110 B12R0.233 CCC#CCC(=O)CCNC(=O)N 1458a_100000181464_100009813939 [0,0,0,0,0,0|2,0,2]=4 111 B12R0.233 CCC#CCC(=O)CCSC(=O)C 1458a_100000048949_100009813939 [0,0,0,0,0,0|2,0,2]=4 112 B12R0.233 CCC#CCC(=O)COCC(=O)N 1458a_100011219004_100009813939 [0,0,0,0,0,0|2,0,2]=4 113 B12R0.233 CCC#CCN(C)CCCC(=O)O 269956a_100000719178_100009813939 [0,0,0,0,0,0|2,0,2]=4 114 B12R0.233 CCCC#CC(=O)CCCC(=O)C 1458a_200011218047_100011215641 [0,0,0,0,0,0|1,0,2]=3 115 B12R0.233 CCCC#CC(=O)CCCC(=O)N 1458a_200011218047_100102525003 [0,0,0,0,0,0|1,0,2]=3 116 B12R0.233 CCCC#CC(=O)CCCC(C)O 1458a_200011218047_200000718107 [0,0,0,0,0,0|1,0,3]=4 117 B12R0.233 CCCC#CC(=O)CCNC(=O)C 1458a_200011218047_100000189650 [0,0,0,0,0,0|2,0,2]=4 118 B12R0.233 CCCC#CC(=O)CCNC(=O)N 1458a_200011218047_200000034859 [0,0,0,0,0,0|2,0,2]=4 119 B12R0.233 CCCC#CC(=O)CCOC(=O)C 1458a_200011218047_100009814007 [0,0,0,0,0,0|2,0,2]=4 120 B12R0.233 CCCC#CC(=O)CCOC(=O)N 1458a_200011218047_200011214921 [0,0,0,0,0,0|2,0,2]=4 121 B12R0.233 CCCC#CC(=O)NCCC(=O)N 240690a_100000740010_200011218047 [0,0,0,0,0,0|2,0,2]=4 122 B12R0.233 CCCC=CC(=O)CCCC(=O)C 1458a_100000212230_100011215641 [0,0,0,0,0,0|1,0,2]=3 123 B12R0.233 CCCC=CC(=O)CCCC(=O)N 1458a_100000212230_100102525003 [0,0,0,0,0,0|1,0,2]=3 124 B12R0.233 CCCC=CC(=O)CCCC(C)O 1458a_100000212230_200000718107 [0,0,0,0,0,0|1,0,3]=4 125 B12R0.233 CCCC=CC(=O)CCNC(=O)C 1458a_100000212230_100000189650 [0,0,0,0,0,0|2,0,2]=4 126 B12R0.233 CCCC=CC(=O)CCNC(=O)N 1458a_100000212230_200000034859 [0,0,0,0,0,0|2,0,2]=4 127 B12R0.233 CCCC=CC(=O)CCOC(=O)C 1458a_100000212230_100009814007 [0,0,0,0,0,0|2,0,2]=4 128 B12R0.233 CCCC=CC(=O)CCOC(=O)N 1458a_100000212230_200011214921 [0,0,0,0,0,0|2,0,2]=4 129 B12R0.233 CCCC=CC(=O)NCCC(=O)N 11a_100000740010_100000212230 [0,0,0,0,0,0|2,0,2]=4 130 B12R0.233 CCCC=CC(=O)NCCC(=O)N 240690a_100000740010_100000212230 [0,0,0,0,0,0|2,0,2]=4 131 B12R0.233 CCCCCC(=O)C/C=C/B(O)O 1458a_100000212188_100016262062 [0,0,0,0,0,0|1,0,3]=4 132 B12R0.233 CCCCCC(=O)CCC=C(C)C 1458a_100000212188_100011217483 [0,0,0,0,0,0|2,0,1]=3 133 B12R0.233 CCCCCC(=O)CCC=C(F)F 1458a_100000212188_200009816681 [0,0,0,0,0,0|2,0,1]=3 134 B12R0.233 CCCCCC(=O)CCCC(=O)C 1458a_100000212188_100011215641 [0,0,0,0,0,0|1,0,0]=1 135 B12R0.233 CCCCCC(=O)CCCC(=O)N 1458a_100000212188_100102525003 [0,0,0,0,0,0|1,0,0]=1 136 B12R0.233 CCCCCC(=O)CCCC(C)C 1458a_100000212188_100011214892 [0,0,0,0,0,0|2,0,1]=3 137 B12R0.233 CCCCCC(=O)CCCC(C)C 1458a_100011216857_100000210326 [0,0,0,0,0,0|2,0,1]=3 138 B12R0.233 CCCCCC(=O)CCCC(C)O 1458a_100000212188_200000718107 [0,0,0,0,0,0|1,0,1]=2 139 B12R0.233 CCCCCC(=O)CCCN(C)C 1458a_100000212188_100000695564 [0,0,0,0,0,0|3,0,0]=3 140 B12R0.233 CCCCCC(=O)CCC[N+](=O)[O-] 1458a_100016109205_100000210326 [0,0,0,0,0,0|1,0,1]=2 141 B12R0.233 CCCCCC(=O)CCN=C(N)N 1458a_100000033030_100000210326 [0,0,0,0,0,0|3,0,0]=3 142 B12R0.233 CCCCCC(=O)CCNC(=O)C 1458a_100000183196_100000210326 [0,0,0,0,0,0|2,0,0]=2 143 B12R0.233 CCCCCC(=O)CCNC(=O)C 1458a_100000212188_100000189650 [0,0,0,0,0,0|2,0,0]=2 144 B12R0.233 CCCCCC(=O)CCNC(=O)N 1458a_100000181464_100000210326 [0,0,0,0,0,0|2,0,0]=2 145 B12R0.233 CCCCCC(=O)CCNC(=O)N 1458a_100000212188_200000034859 [0,0,0,0,0,0|2,0,0]=2 146 B12R0.233 CCCCCC(=O)CCOC(=O)C 1458a_100000212188_100009814007 [0,0,0,0,0,0|2,0,0]=2 147 B12R0.233 CCCCCC(=O)CCOC(=O)N 1458a_100000212188_200011214921 [0,0,0,0,0,0|2,0,0]=2 148 B12R0.233 CCCCCC(=O)CCOC(C)C 1458a_100000212188_100000211751 [0,0,0,0,0,0|3,0,1]=4 149 B12R0.233 CCCCCC(=O)CCSC(=O)C 1458a_100000048949_100000210326 [0,0,0,0,0,0|2,0,0]=2 150 B12R0.233 CCCCCC(=O)CCSC(C)C 1458a_100000212188_100000730970 [0,0,0,0,0,0|3,0,1]=4 151 B12R0.233 CCCCCC(=O)CNCC(=O)N 2230a_100000711301_200012276598 [0,0,0,0,0,0|2,0,0]=2 152 B12R0.233 CCCCCC(=O)CNCC(=O)O 269956a_100016091260_200012276598 [0,0,0,0,0,0|1,0,0]=1 153 B12R0.233 CCCCCC(=O)CNCC(C)C 2230a_100000210953_200012276598 [0,0,0,0,0,0|3,0,1]=4 154 B12R0.233 CCCCCC(=O)CNCC(C)C 34a_100000210953_200012276598 [0,0,0,0,0,0|3,0,1]=4 155 B12R0.233 CCCCCC(=O)CNCC(C)O 2230a_100000210904_200012276598 [0,0,0,0,0,0|2,0,1]=3 156 B12R0.233 CCCCCC(=O)CNCC(C)O 34a_100000210904_200012276598 [0,0,0,0,0,0|2,0,1]=3 157 B12R0.233 CCCCCC(=O)CNCC(F)F 34a_100000765723_200012276598 [0,0,0,0,0,0|3,0,1]=4 158 B12R0.233 CCCCCC(=O)COCC(=O)C 34a_100000211253_200012276598 [0,0,0,0,0,0|2,0,0]=2 159 B12R0.233 CCCCCC(=O)COCC(=O)N 1458a_100011219004_100000210326 [0,0,0,0,0,0|2,0,0]=2 160 B12R0.233 CCCCCC(=O)COCC(C)Br 34a_100012180447_200012276598 [0,0,0,0,0,0|3,0,1]=4 161 B12R0.233 CCCCCC(=O)COCC(C)C 1458a_100011223364_100000210326 [0,0,0,0,0,0|3,0,1]=4 162 B12R0.233 CCCCCC(=O)COCC(C)C 34a_100000210257_200012276598 [0,0,0,0,0,0|3,0,1]=4 163 B12R0.233 CCCCCC(=O)COCC(C)F 34a_100015925927_200012276598 [0,0,0,0,0,0|3,0,1]=4 164 B12R0.233 CCCCCC(=O)COCC(F)F 34a_100000743014_200012276598 [0,0,0,0,0,0|3,0,1]=4 165 B12R0.233 CCCCCC(=O)COC[C@@H](C)Cl 34a_100016084084_200012276598 [0,0,0,0,0,0|3,0,1]=4 166 B12R0.233 CCCCCC(=O)COC[C@@H](C)N 34a_100000737577_200012276598 [0,0,0,0,0,0|3,0,1]=4 167 B12R0.233 CCCCCC(=O)CSCC(=O)N 62a_100000747473_200012276598 [0,0,0,0,0,0|2,0,0]=2 168 B12R0.233 CCCCCC(=O)CSCC(=O)N 62a_200012276598_100000747473 [0,0,0,0,0,0|2,0,0]=2 169 B12R0.233 CCCCCC(=O)CSCC(=O)[O-] 62a_100020667443_200012276598 [0,0,0,0,0,0|1,0,1]=2 170 B12R0.233 CCCCCC(=O)CSCC(=O)[O-] 62a_200012276598_100020667443 [0,0,0,0,0,0|1,0,1]=2 171 B12R0.233 CCCCCC(=O)CSCC(C)C 62a_100000210624_200012276598 [0,0,0,0,0,0|3,0,1]=4 172 B12R0.233 CCCCCC(=O)CSCC(C)C 62a_200012276598_100000210760 [0,0,0,0,0,0|3,0,1]=4 173 B12R0.233 CCCCCC(=O)CSCC(C)O 62a_100011218427_200012276598 [0,0,0,0,0,0|2,0,1]=3 174 B12R0.233 CCCCCC(=O)CSCC(C)O 62a_200012276598_100011218427 [0,0,0,0,0,0|2,0,1]=3 175 B12R0.233 CCCCCC(=O)CSCC(F)F 62a_100011934356_200012276598 [0,0,0,0,0,0|3,0,1]=4 176 B12R0.233 CCCCCC(=O)CSCC(F)F 62a_200012276598_100011934356 [0,0,0,0,0,0|3,0,1]=4 177 B12R0.233 CCCCCC(=O)CSC[C@@H](C)O 62a_100009817552_200012276598 [0,0,0,0,0,0|2,0,1]=3 178 B12R0.233 CCCCCC(=O)CSC[C@@H](C)O 62a_200012276598_100009817552 [0,0,0,0,0,0|2,0,1]=3 179 B12R0.233 CCCCCC(=O)CSC[N+](=O)[O-] 62a_200012276598_100000761209 [0,0,0,0,0,0|2,0,1]=3 180 B12R0.233 CCCCCC(=O)NCC=C(C)C 11a_100000718196_100000212188 [0,0,0,0,0,0|3,0,1]=4 181 B12R0.233 CCCCCC(=O)NCC=C(C)C 1626a_100000718196_100000212188 [0,0,0,0,0,0|3,0,1]=4 182 B12R0.233 CCCCCC(=O)NCC=C(C)C 527a_100000718196_100000212188 [0,0,0,0,0,0|3,0,1]=4 183 B12R0.233 CCCCCC(=O)NCCC(=O)N 11a_100000740010_100000212188 [0,0,0,0,0,0|2,0,0]=2 184 B12R0.233 CCCCCC(=O)NCCC(=O)N 240690a_100000740010_100000212188 [0,0,0,0,0,0|2,0,0]=2 185 B12R0.233 CCCCCC(=O)NCCC(=O)N 527a_100000740010_100000212188 [0,0,0,0,0,0|2,0,0]=2 186 B12R0.233 CCCCCC(=O)NCCC(C)C 11a_100000210545_100000212188 [0,0,0,0,0,0|3,0,1]=4 187 B12R0.233 CCCCCC(=O)NCCC(C)C 1626a_100000210545_100000212188 [0,0,0,0,0,0|3,0,1]=4 188 B12R0.233 CCCCCC(=O)NCCC(C)C 240690a_100000210545_100000212188 [0,0,0,0,0,0|3,0,1]=4 189 B12R0.233 CCCCCC(=O)NCCC(C)C 527a_100000210545_100000212188 [0,0,0,0,0,0|3,0,1]=4 190 B12R0.233 CCCCCC(=O)NCCC(C)O 240690a_200000755665_100000212188 [0,0,0,0,0,0|2,0,1]=3 191 B12R0.233 CCCCCC(=O)NCCC(C)O 527a_200000755665_100000212188 [0,0,0,0,0,0|2,0,1]=3 192 B12R0.233 CCCCCC(=O)NCCN(C)C 240690a_100000210585_100000212188 [0,0,0,0,0,0|4,0,0]=4 193 B12R0.233 CCCCCC(=O)NCCN(C)C 527a_100000210585_100000212188 [0,0,0,0,0,0|4,0,0]=4 194 B12R0.233 CCCCCC(=O)NNCC(C)O 22a_200000730056_100000212188 [0,0,0,0,0,0|3,0,1]=4 195 B12R0.233 CCCCCC(C)NCCC(=O)N 2230a_100000211957_100000744528 [0,0,0,0,0,0|3,0,1]=4 196 B12R0.233 CCCCCC(C)NOCC(=O)O 269956a_100000106656_200011218191 [0,0,0,0,0,0|3,0,1]=4 197 B12R0.233 CCCCCC(C)OCCC(=O)C 34a_100000759926_200011218191 [0,0,0,0,0,0|3,0,1]=4 198 B12R0.233 CCCCCC(C)OCCC(=O)C 7a_100000759926_200011218191 [0,0,0,0,0,0|3,0,1]=4 199 B12R0.233 CCCCCC(C)OCCC(=O)C 7a_100011215632_100000053229 [0,0,0,0,0,0|3,0,1]=4 200 B12R0.233 CCCCCC(C)OCCC(=O)N 34a_100000757172_200011218191 [0,0,0,0,0,0|3,0,1]=4 201 B12R0.233 CCCCCC(C)OCCC(=O)N 34a_100011215632_100000731001 [0,0,0,0,0,0|3,0,1]=4 202 B12R0.233 CCCCCC(C)OCCC(=O)N 7a_100000757172_200011218191 [0,0,0,0,0,0|3,0,1]=4 203 B12R0.233 CCCCCC(C)OCCC(=O)N 7a_100011215632_100000744528 [0,0,0,0,0,0|3,0,1]=4 204 B12R0.233 CCCCCC(C)SCCC(=O)C 62a_100000053229_200011218191 [0,0,0,0,0,0|3,0,1]=4 205 B12R0.233 CCCCCC(C)SCCC(=O)C 62a_200011218191_100000053229 [0,0,0,0,0,0|3,0,1]=4 206 B12R0.233 CCCCCC(C)SCCC(=O)N 62a_100000744528_200011218191 [0,0,0,0,0,0|3,0,1]=4 207 B12R0.233 CCCCCC(C)SCCC(=O)N 62a_200011218191_100000744528 [0,0,0,0,0,0|3,0,1]=4 208 B12R0.233 CCCCCN(C)CCCC(=O)C 269982a_100000223495_100011215641 [0,0,0,0,0,0|3,0,0]=3 209 B12R0.233 CCCCCN(C)CCCC(=O)N 269982a_100000223495_100102525003 [0,0,0,0,0,0|3,0,0]=3 210 B12R0.233 CCCCCN(C)CCCC(=O)O 269956a_100000719178_100000210326 [0,0,0,0,0,0|2,0,0]=2 211 B12R0.233 CCCCCN(C)CCCC(C)O 2230a_100000223495_200000718107 [0,0,0,0,0,0|3,0,1]=4 212 B12R0.233 CCCCCN(C)CCCC(C)O 269982a_100000223495_200000718107 [0,0,0,0,0,0|3,0,1]=4 213 B12R0.233 CCCCCN(C)CCNC(=O)C 2230a_100000223495_100000189650 [0,0,0,0,0,0|4,0,0]=4 214 B12R0.233 CCCCCN(C)CCNC(=O)C 269982a_100000223495_100000189650 [0,0,0,0,0,0|4,0,0]=4 215 B12R0.233 CCCCCN(C)CCNC(=O)N 2230a_100000223495_200000034859 [0,0,0,0,0,0|4,0,0]=4 216 B12R0.233 CCCCCN(C)CCNC(=O)N 269982a_100000223495_200000034859 [0,0,0,0,0,0|4,0,0]=4 217 B12R0.233 CCCCCN(C)CCOC(=O)C 269982a_100000223495_100009814007 [0,0,0,0,0,0|4,0,0]=4 218 B12R0.233 CCCCCN(C)CCOC(=O)N 269982a_100000223495_200011214921 [0,0,0,0,0,0|4,0,0]=4 219 B12R0.233 CCCCNC(=O)CCCC(C)C 11a_100000102301_100011216857 [0,0,0,0,0,0|3,0,1]=4 220 B12R0.233 CCCCNC(=O)CCCC(C)C 1626a_100000102301_100011216857 [0,0,0,0,0,0|3,0,1]=4 221 B12R0.233 CCCCNC(=O)CCCC(C)C 240690a_100000102301_100011216857 [0,0,0,0,0,0|3,0,1]=4 222 B12R0.233 CCCCNC(=O)CCCC(C)C 527a_100000102301_100011216857 [0,0,0,0,0,0|3,0,1]=4 223 B12R0.233 CCCCNC(=O)CCCC(C)O 1626a_100000102301_100000761597 [0,0,0,0,0,0|2,0,1]=3 224 B12R0.233 CCCCNC(=O)CCCC(C)O 527a_100000102301_100000761597 [0,0,0,0,0,0|2,0,1]=3 225 B12R0.233 CCCCNC(=O)CCCN(C)C 11a_100000102301_100000740757 [0,0,0,0,0,0|4,0,0]=4 226 B12R0.233 CCCCNC(=O)CCCN(C)C 240690a_100000102301_100000740757 [0,0,0,0,0,0|4,0,0]=4 227 B12R0.233 CCCCNC(=O)CCC[N+](=O)[O-] 11a_100000102301_100016109205 [0,0,0,0,0,0|2,0,1]=3 228 B12R0.233 CCCCNC(=O)CCC[N+](=O)[O-] 1626a_100000102301_100016109205 [0,0,0,0,0,0|2,0,1]=3 229 B12R0.233 CCCCNC(=O)CCC[N+](=O)[O-] 240690a_100000102301_100016109205 [0,0,0,0,0,0|2,0,1]=3 230 B12R0.233 CCCCNC(=O)CCC[N+](=O)[O-] 527a_100000102301_100016109205 [0,0,0,0,0,0|2,0,1]=3 231 B12R0.233 CCCCNC(=O)CCN=C(N)N 240690a_100000102301_100000033030 [0,0,0,0,0,0|4,0,0]=4 232 B12R0.233 CCCCNC(=O)CCNC(=O)C 11a_100000102301_100000183196 [0,0,0,0,0,0|3,0,0]=3 233 B12R0.233 CCCCNC(=O)CCNC(=O)C 1626a_100000102301_100000183196 [0,0,0,0,0,0|3,0,0]=3 234 B12R0.233 CCCCNC(=O)CCNC(=O)C 240690a_100000102301_100000183196 [0,0,0,0,0,0|3,0,0]=3 235 B12R0.233 CCCCNC(=O)CCNC(=O)C 527a_100000102301_100000183196 [0,0,0,0,0,0|3,0,0]=3 236 B12R0.233 CCCCNC(=O)CCNC(=O)N 240690a_100000102301_100000181464 [0,0,0,0,0,0|3,0,0]=3 237 B12R0.233 CCCCNC(=O)CCNC(=O)N 527a_100000102301_100000181464 [0,0,0,0,0,0|3,0,0]=3 238 B12R0.233 CCCCNC(=O)CCSC(=O)C 1626a_100000102301_100000048949 [0,0,0,0,0,0|3,0,0]=3 239 B12R0.233 CCCCNC(=O)CCSC(=O)C 240690a_100000102301_100000048949 [0,0,0,0,0,0|3,0,0]=3 240 B12R0.233 CCCCNC(=O)CNCC(=O)N 2230a_100000711301_100000182744 [0,0,0,0,0,0|3,0,0]=3 241 B12R0.233 CCCCNC(=O)CNCC(=O)O 269956a_100016091260_100000182744 [0,0,0,0,0,0|2,0,0]=2 242 B12R0.233 CCCCNC(=O)CNCC(C)O 2230a_100000210904_100000182744 [0,0,0,0,0,0|3,0,1]=4 243 B12R0.233 CCCCNC(=O)CNCC(C)O 34a_100000210904_100000182744 [0,0,0,0,0,0|3,0,1]=4 244 B12R0.233 CCCCNC(=O)COCC(=O)C 34a_100000211253_100000182744 [0,0,0,0,0,0|3,0,0]=3 245 B12R0.233 CCCCNC(=O)COCC(=O)N 1626a_100000102301_100011219004 [0,0,0,0,0,0|3,0,0]=3 246 B12R0.233 CCCCNC(=O)COCC(=O)N 240690a_100000102301_100011219004 [0,0,0,0,0,0|3,0,0]=3 247 B12R0.233 CCCCNC(=O)COCC(=O)N 527a_100000102301_100011219004 [0,0,0,0,0,0|3,0,0]=3 248 B12R0.233 CCCCNC(=O)CSCC(=O)N 11a_100000102301_100000150265 [0,0,0,0,0,0|3,0,0]=3 249 B12R0.233 CCCCNC(=O)CSCC(=O)N 240690a_100000102301_100000150265 [0,0,0,0,0,0|3,0,0]=3 250 B12R0.233 CCCCNC(=O)CSCC(=O)N 527a_100000102301_100000150265 [0,0,0,0,0,0|3,0,0]=3 251 B12R0.233 CCCCNC(=O)CSCC(=O)N 62a_100000182744_100000747473 [0,0,0,0,0,0|3,0,0]=3 252 B12R0.233 CCCCNC(=O)CSCC(=O)N 62a_100000747473_100000182744 [0,0,0,0,0,0|3,0,0]=3 253 B12R0.233 CCCCNC(=O)CSCC(=O)[O-] 62a_100000182744_100020667443 [0,0,0,0,0,0|2,0,1]=3 254 B12R0.233 CCCCNC(=O)CSCC(=O)[O-] 62a_100020667443_100000182744 [0,0,0,0,0,0|2,0,1]=3 255 B12R0.233 CCCCNC(=O)CSCC(C)O 62a_100000182744_100011218427 [0,0,0,0,0,0|3,0,1]=4 256 B12R0.233 CCCCNC(=O)CSCC(C)O 62a_100011218427_100000182744 [0,0,0,0,0,0|3,0,1]=4 257 B12R0.233 CCCCNC(=O)CSC[C@@H](C)O 62a_100000182744_100009817552 [0,0,0,0,0,0|3,0,1]=4 258 B12R0.233 CCCCNC(=O)CSC[C@@H](C)O 62a_100009817552_100000182744 [0,0,0,0,0,0|3,0,1]=4 259 B12R0.233 CCCCNC(=O)CSC[N+](=O)[O-] 62a_100000182744_100000761209 [0,0,0,0,0,0|3,0,1]=4 260 B12R0.233 CCCCNC(=O)NCCC(=O)N 2708a_100000102301_100000740010 [0,0,0,0,0,0|3,0,0]=3 261 B12R0.233 CCCCNC(=O)NCCC(=O)N 273464a_100000102301_100000740010 [0,0,0,0,0,0|3,0,0]=3 262 B12R0.233 CCCCNC(=O)NCCC(=O)N 273464a_100000740010_100000102301 [0,0,0,0,0,0|3,0,0]=3 263 B12R0.233 CCCCNC(=O)NCCC(=O)N 512a_100000102301_100000740010 [0,0,0,0,0,0|3,0,0]=3 264 B12R0.233 CCCCNC(=O)NCCC(C)O 2708a_100000102301_200000755665 [0,0,0,0,0,0|3,0,1]=4 265 B12R0.233 CCCCNC(=O)NCCC(C)O 273464a_200000755665_100000102301 [0,0,0,0,0,0|3,0,1]=4 266 B12R0.233 CCCCNC(=O)NCCC(C)O 512a_100000102301_200000755665 [0,0,0,0,0,0|3,0,1]=4 267 B12R0.233 CCCCNC(=O)NCCC(C)O 512a_200000755665_100000102301 [0,0,0,0,0,0|3,0,1]=4 268 B12R0.233 CCCCOC(=O)CNCC(=O)N 2230a_100000711301_100000211628 [0,0,0,0,0,0|3,0,0]=3 269 B12R0.233 CCCCOC(=O)CNCC(=O)O 269956a_100016091260_100000211628 [0,0,0,0,0,0|2,0,0]=2 270 B12R0.233 CCCCOC(=O)CNCC(C)O 2230a_100000210904_100000211628 [0,0,0,0,0,0|3,0,1]=4 271 B12R0.233 CCCCOC(=O)CNCC(C)O 34a_100000210904_100000211628 [0,0,0,0,0,0|3,0,1]=4 272 B12R0.233 CCCCOC(=O)COCC(=O)C 34a_100000211253_100000211628 [0,0,0,0,0,0|3,0,0]=3 273 B12R0.233 CCCCOC(=O)CSCC(=O)N 62a_100000211628_100000747473 [0,0,0,0,0,0|3,0,0]=3 274 B12R0.233 CCCCOC(=O)CSCC(=O)N 62a_100000747473_100000211628 [0,0,0,0,0,0|3,0,0]=3 275 B12R0.233 CCCCOC(=O)CSCC(=O)[O-] 62a_100000211628_100020667443 [0,0,0,0,0,0|2,0,1]=3 276 B12R0.233 CCCCOC(=O)CSCC(=O)[O-] 62a_100020667443_100000211628 [0,0,0,0,0,0|2,0,1]=3 277 B12R0.233 CCCCOC(=O)CSCC(C)O 62a_100000211628_100011218427 [0,0,0,0,0,0|3,0,1]=4 278 B12R0.233 CCCCOC(=O)CSCC(C)O 62a_100011218427_100000211628 [0,0,0,0,0,0|3,0,1]=4 279 B12R0.233 CCCCOC(=O)CSC[C@@H](C)O 62a_100000211628_100009817552 [0,0,0,0,0,0|3,0,1]=4 280 B12R0.233 CCCCOC(=O)CSC[C@@H](C)O 62a_100009817552_100000211628 [0,0,0,0,0,0|3,0,1]=4 281 B12R0.233 CCCCOC(=O)CSC[N+](=O)[O-] 62a_100000211628_100000761209 [0,0,0,0,0,0|3,0,1]=4 282 B12R0.233 CCCCOC(C)CCCC(=O)[O-] 7a_100000761597_100000210211 [0,0,0,0,0,0|2,0,2]=4 283 B12R0.233 CCCNCC(=O)NCCC(=O)N 2230a_200138414118_100000210303 [0,0,0,0,0,0|3,0,0]=3 284 B12R0.233 CCCNNC(=O)CCCC(C)O 22a_100000740057_100000761597 [0,0,0,0,0,0|3,0,1]=4 285 B12R0.233 CCCNNC(=O)CCC[N+](=O)[O-] 22a_100000740057_100016109205 [0,0,0,0,0,0|3,0,1]=4 286 B12R0.233 CCCNNC(=O)CCNC(=O)C 22a_100000740057_100000183196 [0,0,0,0,0,0|4,0,0]=4 287 B12R0.233 CCCNNC(=O)CCNC(=O)N 22a_100000740057_100000181464 [0,0,0,0,0,0|4,0,0]=4 288 B12R0.233 CCCNNC(=O)COCC(=O)N 22a_100000740057_100011219004 [0,0,0,0,0,0|4,0,0]=4 289 B12R0.233 CCCNNC(=O)CSCC(=O)N 22a_100000740057_100000150265 [0,0,0,0,0,0|4,0,0]=4 290 B12R0.233 CCCNNC(=O)NCCC(=O)N 273464a_100000740010_100000740057 [0,0,0,0,0,0|4,0,0]=4 291 B12R0.233 CCCNNC(=O)NCCC(=O)N 512a_100000740057_100000740010 [0,0,0,0,0,0|4,0,0]=4 292 B12R0.233 CCCOCC(=O)CCC=C(C)C 1458a_100000745993_100011217483 [0,0,0,0,0,0|3,0,1]=4 293 B12R0.233 CCCOCC(=O)CCC=C(F)F 1458a_100000745993_200009816681 [0,0,0,0,0,0|3,0,1]=4 294 B12R0.233 CCCOCC(=O)CCCC(=O)C 1458a_100000745993_100011215641 [0,0,0,0,0,0|2,0,0]=2 295 B12R0.233 CCCOCC(=O)CCCC(=O)N 1458a_100000745993_100102525003 [0,0,0,0,0,0|2,0,0]=2 296 B12R0.233 CCCOCC(=O)CCCC(C)C 1458a_100000745993_100011214892 [0,0,0,0,0,0|3,0,1]=4 297 B12R0.233 CCCOCC(=O)CCCC(C)O 1458a_100000745993_200000718107 [0,0,0,0,0,0|2,0,1]=3 298 B12R0.233 CCCOCC(=O)CCCN(C)C 1458a_100000745993_100000695564 [0,0,0,0,0,0|4,0,0]=4 299 B12R0.233 CCCOCC(=O)CCNC(=O)C 1458a_100000745993_100000189650 [0,0,0,0,0,0|3,0,0]=3 300 B12R0.233 CCCOCC(=O)CCNC(=O)N 1458a_100000745993_200000034859 [0,0,0,0,0,0|3,0,0]=3 301 B12R0.233 CCCOCC(=O)CCOC(=O)C 1458a_100000745993_100009814007 [0,0,0,0,0,0|3,0,0]=3 302 B12R0.233 CCCOCC(=O)CCOC(=O)N 1458a_100000745993_200011214921 [0,0,0,0,0,0|3,0,0]=3 303 B12R0.233 CCCOCC(=O)NCCC(=O)N 11a_100000740010_100000745993 [0,0,0,0,0,0|3,0,0]=3 304 B12R0.233 CCCOCC(=O)NCCC(=O)N 240690a_100000740010_100000745993 [0,0,0,0,0,0|3,0,0]=3 305 B12R0.233 CCCOCC(=O)NCCC(=O)N 527a_100000740010_100000745993 [0,0,0,0,0,0|3,0,0]=3 306 B12R0.233 CCCOCC(=O)NCCC(C)O 240690a_200000755665_100000745993 [0,0,0,0,0,0|3,0,1]=4 307 B12R0.233 CCCOCC(=O)NCCC(C)O 527a_200000755665_100000745993 [0,0,0,0,0,0|3,0,1]=4 308 B12R0.233 CCCSCC(=O)CCC=C(C)C 1458a_100000217233_100011217483 [0,0,0,0,0,0|3,0,1]=4 309 B12R0.233 CCCSCC(=O)CCC=C(F)F 1458a_100000217233_200009816681 [0,0,0,0,0,0|3,0,1]=4 310 B12R0.233 CCCSCC(=O)CCCC(=O)C 1458a_100000217233_100011215641 [0,0,0,0,0,0|2,0,0]=2 311 B12R0.233 CCCSCC(=O)CCCC(=O)N 1458a_100000217233_100102525003 [0,0,0,0,0,0|2,0,0]=2 312 B12R0.233 CCCSCC(=O)CCCC(C)C 1458a_100000217233_100011214892 [0,0,0,0,0,0|3,0,1]=4 313 B12R0.233 CCCSCC(=O)CCCC(C)O 1458a_100000217233_200000718107 [0,0,0,0,0,0|2,0,1]=3 314 B12R0.233 CCCSCC(=O)CCCN(C)C 1458a_100000217233_100000695564 [0,0,0,0,0,0|4,0,0]=4 315 B12R0.233 CCCSCC(=O)CCNC(=O)C 1458a_100000217233_100000189650 [0,0,0,0,0,0|3,0,0]=3 316 B12R0.233 CCCSCC(=O)CCNC(=O)N 1458a_100000217233_200000034859 [0,0,0,0,0,0|3,0,0]=3 317 B12R0.233 CCCSCC(=O)CCOC(=O)C 1458a_100000217233_100009814007 [0,0,0,0,0,0|3,0,0]=3 318 B12R0.233 CCCSCC(=O)CCOC(=O)N 1458a_100000217233_200011214921 [0,0,0,0,0,0|3,0,0]=3 319 B12R0.233 CCCSCC(=O)NCCC(=O)N 11a_100000740010_100000217233 [0,0,0,0,0,0|3,0,0]=3 320 B12R0.233 CCCSCC(=O)NCCC(=O)N 240690a_100000740010_100000217233 [0,0,0,0,0,0|3,0,0]=3 321 B12R0.233 CCCSCC(=O)NCCC(=O)N 527a_100000740010_100000217233 [0,0,0,0,0,0|3,0,0]=3 322 B12R0.233 CCCSCC(=O)NCCC(C)O 240690a_200000755665_100000217233 [0,0,0,0,0,0|3,0,1]=4 323 B12R0.233 CCCSCC(=O)NCCC(C)O 527a_200000755665_100000217233 [0,0,0,0,0,0|3,0,1]=4 324 B12R0.233 CCOC=CC(=O)CCCC(=O)C 1458a_100016266692_100011215641 [0,0,0,0,0,0|2,0,2]=4 325 B12R0.233 CCOC=CC(=O)CCCC(=O)N 1458a_100016266692_100102525003 [0,0,0,0,0,0|2,0,2]=4 326 B12R0.233 CCOCCC(=O)CCC=C(C)C 1458a_100000749530_100011217483 [0,0,0,0,0,0|3,0,1]=4 327 B12R0.233 CCOCCC(=O)CCC=C(F)F 1458a_100000749530_200009816681 [0,0,0,0,0,0|3,0,1]=4 328 B12R0.233 CCOCCC(=O)CCCC(=O)C 1458a_100000749530_100011215641 [0,0,0,0,0,0|2,0,0]=2 329 B12R0.233 CCOCCC(=O)CCCC(=O)N 1458a_100000749530_100102525003 [0,0,0,0,0,0|2,0,0]=2 330 B12R0.233 CCOCCC(=O)CCCC(C)C 1458a_100000749530_100011214892 [0,0,0,0,0,0|3,0,1]=4 331 B12R0.233 CCOCCC(=O)CCCC(C)C 1458a_100011216857_100011215890 [0,0,0,0,0,0|3,0,1]=4 332 B12R0.233 CCOCCC(=O)CCCC(C)O 1458a_100000749530_200000718107 [0,0,0,0,0,0|2,0,1]=3 333 B12R0.233 CCOCCC(=O)CCCN(C)C 1458a_100000749530_100000695564 [0,0,0,0,0,0|4,0,0]=4 334 B12R0.233 CCOCCC(=O)CCC[N+](=O)[O-] 1458a_100016109205_100011215890 [0,0,0,0,0,0|2,0,1]=3 335 B12R0.233 CCOCCC(=O)CCN=C(N)N 1458a_100000033030_100011215890 [0,0,0,0,0,0|4,0,0]=4 336 B12R0.233 CCOCCC(=O)CCNC(=O)C 1458a_100000183196_100011215890 [0,0,0,0,0,0|3,0,0]=3 337 B12R0.233 CCOCCC(=O)CCNC(=O)C 1458a_100000749530_100000189650 [0,0,0,0,0,0|3,0,0]=3 338 B12R0.233 CCOCCC(=O)CCNC(=O)N 1458a_100000181464_100011215890 [0,0,0,0,0,0|3,0,0]=3 339 B12R0.233 CCOCCC(=O)CCNC(=O)N 1458a_100000749530_200000034859 [0,0,0,0,0,0|3,0,0]=3 340 B12R0.233 CCOCCC(=O)CCOC(=O)C 1458a_100000749530_100009814007 [0,0,0,0,0,0|3,0,0]=3 341 B12R0.233 CCOCCC(=O)CCOC(=O)N 1458a_100000749530_200011214921 [0,0,0,0,0,0|3,0,0]=3 342 B12R0.233 CCOCCC(=O)CCSC(=O)C 1458a_100000048949_100011215890 [0,0,0,0,0,0|3,0,0]=3 343 B12R0.233 CCOCCC(=O)COCC(=O)N 1458a_100011219004_100011215890 [0,0,0,0,0,0|3,0,0]=3 344 B12R0.233 CCOCCC(=O)NCCC(=O)N 11a_100000740010_100000749530 [0,0,0,0,0,0|3,0,0]=3 345 B12R0.233 CCOCCC(=O)NCCC(=O)N 240690a_100000740010_100000749530 [0,0,0,0,0,0|3,0,0]=3 346 B12R0.233 CCOCCC(=O)NCCC(=O)N 527a_100000740010_100000749530 [0,0,0,0,0,0|3,0,0]=3 347 B12R0.233 CCOCCC(=O)NCCC(C)O 240690a_200000755665_100000749530 [0,0,0,0,0,0|3,0,1]=4 348 B12R0.233 CCOCCC(=O)NCCC(C)O 527a_200000755665_100000749530 [0,0,0,0,0,0|3,0,1]=4 349 B12R0.233 CCOCCN(C)CCCC(=O)O 269956a_100000719178_100000210147 [0,0,0,0,0,0|3,0,0]=3 350 B12R0.233 CCSCCC(=O)CCC=C(C)C 1458a_100000230768_100011217483 [0,0,0,0,0,0|3,0,1]=4 351 B12R0.233 CCSCCC(=O)CCC=C(F)F 1458a_100000230768_200009816681 [0,0,0,0,0,0|3,0,1]=4 352 B12R0.233 CCSCCC(=O)CCCC(=O)C 1458a_100000230768_100011215641 [0,0,0,0,0,0|2,0,0]=2 353 B12R0.233 CCSCCC(=O)CCCC(=O)N 1458a_100000230768_100102525003 [0,0,0,0,0,0|2,0,0]=2 354 B12R0.233 CCSCCC(=O)CCCC(C)C 1458a_100000230768_100011214892 [0,0,0,0,0,0|3,0,1]=4 355 B12R0.233 CCSCCC(=O)CCCC(C)C 1458a_100011216857_100000757381 [0,0,0,0,0,0|3,0,1]=4 356 B12R0.233 CCSCCC(=O)CCCC(C)O 1458a_100000230768_200000718107 [0,0,0,0,0,0|2,0,1]=3 357 B12R0.233 CCSCCC(=O)CCCN(C)C 1458a_100000230768_100000695564 [0,0,0,0,0,0|4,0,0]=4 358 B12R0.233 CCSCCC(=O)CCC[N+](=O)[O-] 1458a_100016109205_100000757381 [0,0,0,0,0,0|2,0,1]=3 359 B12R0.233 CCSCCC(=O)CCN=C(N)N 1458a_100000033030_100000757381 [0,0,0,0,0,0|4,0,0]=4 360 B12R0.233 CCSCCC(=O)CCNC(=O)C 1458a_100000183196_100000757381 [0,0,0,0,0,0|3,0,0]=3 361 B12R0.233 CCSCCC(=O)CCNC(=O)C 1458a_100000230768_100000189650 [0,0,0,0,0,0|3,0,0]=3 362 B12R0.233 CCSCCC(=O)CCNC(=O)N 1458a_100000181464_100000757381 [0,0,0,0,0,0|3,0,0]=3 363 B12R0.233 CCSCCC(=O)CCNC(=O)N 1458a_100000230768_200000034859 [0,0,0,0,0,0|3,0,0]=3 364 B12R0.233 CCSCCC(=O)CCOC(=O)C 1458a_100000230768_100009814007 [0,0,0,0,0,0|3,0,0]=3 365 B12R0.233 CCSCCC(=O)CCOC(=O)N 1458a_100000230768_200011214921 [0,0,0,0,0,0|3,0,0]=3 366 B12R0.233 CCSCCC(=O)CCSC(=O)C 1458a_100000048949_100000757381 [0,0,0,0,0,0|3,0,0]=3 367 B12R0.233 CCSCCC(=O)COCC(=O)N 1458a_100011219004_100000757381 [0,0,0,0,0,0|3,0,0]=3 368 B12R0.233 CCSCCC(=O)NCCC(=O)N 11a_100000740010_100000230768 [0,0,0,0,0,0|3,0,0]=3 369 B12R0.233 CCSCCC(=O)NCCC(=O)N 240690a_100000740010_100000230768 [0,0,0,0,0,0|3,0,0]=3 370 B12R0.233 CCSCCC(=O)NCCC(=O)N 527a_100000740010_100000230768 [0,0,0,0,0,0|3,0,0]=3 371 B12R0.233 CCSCCC(=O)NCCC(C)O 240690a_200000755665_100000230768 [0,0,0,0,0,0|3,0,1]=4 372 B12R0.233 CCSCCC(=O)NCCC(C)O 527a_200000755665_100000230768 [0,0,0,0,0,0|3,0,1]=4 373 B12R0.233 CCSCCN(C)CCCC(=O)O 269956a_100000719178_100000757381 [0,0,0,0,0,0|3,0,0]=3 374 B12R0.233 CN(C)CCCC(=O)CCCCO 1458a_100000695505_100000695564 [0,0,0,0,0,0|4,0,0]=4 375 B12R0.233 CN(CCCC#N)CCCC(=O)O 269956a_100000719178_100000687738 [0,0,0,0,0,0|3,0,1]=4 376 B12R0.233 CN(CCCC=O)CCCC(=O)O 269956a_100000719178_200011292268 [0,0,0,0,0,0|3,0,1]=4 377 B12R0.233 CN(CCCCF)CCCC(=O)O 269956a_100000719178_100000729493 [0,0,0,0,0,0|3,0,0]=3 378 B12R0.233 CN(CCCCO)CCCC(=O)N 269982a_100000717598_100102525003 [0,0,0,0,0,0|4,0,0]=4 379 B12R0.233 CN(CCCCO)CCCC(=O)O 269956a_100000719178_100000210776 [0,0,0,0,0,0|3,0,0]=3 380 B12R0.233 COCC=CC(=O)CCCC(=O)C 1458a_100016285016_100011215641 [0,0,0,0,0,0|2,0,2]=4 381 B12R0.233 COCC=CC(=O)CCCC(=O)N 1458a_100016285016_100102525003 [0,0,0,0,0,0|2,0,2]=4 382 B12R0.233 COCCCC(=O)CCC=C(C)C 1458a_100000741012_100011217483 [0,0,0,0,0,0|3,0,1]=4 383 B12R0.233 COCCCC(=O)CCC=C(F)F 1458a_100000741012_200009816681 [0,0,0,0,0,0|3,0,1]=4 384 B12R0.233 COCCCC(=O)CCCC(=O)C 1458a_100000741012_100011215641 [0,0,0,0,0,0|2,0,0]=2 385 B12R0.233 COCCCC(=O)CCCC(=O)N 1458a_100000741012_100102525003 [0,0,0,0,0,0|2,0,0]=2 386 B12R0.233 COCCCC(=O)CCCC(C)C 1458a_100000741012_100011214892 [0,0,0,0,0,0|3,0,1]=4 387 B12R0.233 COCCCC(=O)CCCC(C)C 1458a_100011216857_100000740836 [0,0,0,0,0,0|3,0,1]=4 388 B12R0.233 COCCCC(=O)CCCC(C)O 1458a_100000741012_200000718107 [0,0,0,0,0,0|2,0,1]=3 389 B12R0.233 COCCCC(=O)CCCN(C)C 1458a_100000741012_100000695564 [0,0,0,0,0,0|4,0,0]=4 390 B12R0.233 COCCCC(=O)CCC[N+](=O)[O-] 1458a_100016109205_100000740836 [0,0,0,0,0,0|2,0,1]=3 391 B12R0.233 COCCCC(=O)CCN=C(N)N 1458a_100000033030_100000740836 [0,0,0,0,0,0|4,0,0]=4 392 B12R0.233 COCCCC(=O)CCNC(=O)C 1458a_100000183196_100000740836 [0,0,0,0,0,0|3,0,0]=3 393 B12R0.233 COCCCC(=O)CCNC(=O)C 1458a_100000741012_100000189650 [0,0,0,0,0,0|3,0,0]=3 394 B12R0.233 COCCCC(=O)CCNC(=O)N 1458a_100000181464_100000740836 [0,0,0,0,0,0|3,0,0]=3 395 B12R0.233 COCCCC(=O)CCNC(=O)N 1458a_100000741012_200000034859 [0,0,0,0,0,0|3,0,0]=3 396 B12R0.233 COCCCC(=O)CCOC(=O)C 1458a_100000741012_100009814007 [0,0,0,0,0,0|3,0,0]=3 397 B12R0.233 COCCCC(=O)CCOC(=O)N 1458a_100000741012_200011214921 [0,0,0,0,0,0|3,0,0]=3 398 B12R0.233 COCCCC(=O)CCSC(=O)C 1458a_100000048949_100000740836 [0,0,0,0,0,0|3,0,0]=3 399 B12R0.233 COCCCC(=O)COCC(=O)N 1458a_100011219004_100000740836 [0,0,0,0,0,0|3,0,0]=3 400 B12R0.233 COCCCC(=O)NCCC(=O)N 11a_100000740010_100000741012 [0,0,0,0,0,0|3,0,0]=3 401 B12R0.233 COCCCC(=O)NCCC(=O)N 240690a_100000740010_100000741012 [0,0,0,0,0,0|3,0,0]=3 402 B12R0.233 COCCCC(=O)NCCC(=O)N 527a_100000740010_100000741012 [0,0,0,0,0,0|3,0,0]=3 403 B12R0.233 COCCCC(=O)NCCC(C)O 240690a_200000755665_100000741012 [0,0,0,0,0,0|3,0,1]=4 404 B12R0.233 COCCCC(=O)NCCC(C)O 527a_200000755665_100000741012 [0,0,0,0,0,0|3,0,1]=4 405 B12R0.233 COCCCN(C)CCCC(=O)C 269982a_100000224831_100011215641 [0,0,0,0,0,0|4,0,0]=4 406 B12R0.233 COCCCN(C)CCCC(=O)N 269982a_100000224831_100102525003 [0,0,0,0,0,0|4,0,0]=4 407 B12R0.233 COCCCN(C)CCCC(=O)O 269956a_100000719178_100000740836 [0,0,0,0,0,0|3,0,0]=3 408 B12R0.233 COCCNC(=O)CCCC(C)O 1626a_100000209980_100000761597 [0,0,0,0,0,0|3,0,1]=4 409 B12R0.233 COCCNC(=O)CCCC(C)O 527a_100000209980_100000761597 [0,0,0,0,0,0|3,0,1]=4 410 B12R0.233 COCCNC(=O)CCC[N+](=O)[O-] 1626a_100000209980_100016109205 [0,0,0,0,0,0|3,0,1]=4 411 B12R0.233 COCCNC(=O)CCC[N+](=O)[O-] 240690a_100000209980_100016109205 [0,0,0,0,0,0|3,0,1]=4 412 B12R0.233 COCCNC(=O)CCC[N+](=O)[O-] 527a_100000209980_100016109205 [0,0,0,0,0,0|3,0,1]=4 413 B12R0.233 COCCNC(=O)CCNC(=O)C 1626a_100000209980_100000183196 [0,0,0,0,0,0|4,0,0]=4 414 B12R0.233 COCCNC(=O)CCNC(=O)C 240690a_100000209980_100000183196 [0,0,0,0,0,0|4,0,0]=4 415 B12R0.233 COCCNC(=O)CCNC(=O)C 527a_100000209980_100000183196 [0,0,0,0,0,0|4,0,0]=4 416 B12R0.233 COCCNC(=O)CCNC(=O)N 240690a_100000209980_100000181464 [0,0,0,0,0,0|4,0,0]=4 417 B12R0.233 COCCNC(=O)CCNC(=O)N 527a_100000209980_100000181464 [0,0,0,0,0,0|4,0,0]=4 418 B12R0.233 COCCNC(=O)CCSC(=O)C 1626a_100000209980_100000048949 [0,0,0,0,0,0|4,0,0]=4 419 B12R0.233 COCCNC(=O)CCSC(=O)C 240690a_100000209980_100000048949 [0,0,0,0,0,0|4,0,0]=4 420 B12R0.233 COCCNC(=O)CNCC(=O)N 2230a_100000711301_100000183275 [0,0,0,0,0,0|4,0,0]=4 421 B12R0.233 COCCNC(=O)CNCC(=O)N 2230a_100000754632_100000747473 [0,0,0,0,0,0|4,0,0]=4 422 B12R0.233 COCCNC(=O)CNCC(=O)O 269956a_100016091260_100000183275 [0,0,0,0,0,0|3,0,0]=3 423 B12R0.233 COCCNC(=O)COCC(=O)C 34a_100000211253_100000183275 [0,0,0,0,0,0|4,0,0]=4 424 B12R0.233 COCCNC(=O)COCC(=O)N 1626a_100000209980_100011219004 [0,0,0,0,0,0|4,0,0]=4 425 B12R0.233 COCCNC(=O)COCC(=O)N 240690a_100000209980_100011219004 [0,0,0,0,0,0|4,0,0]=4 426 B12R0.233 COCCNC(=O)COCC(=O)N 527a_100000209980_100011219004 [0,0,0,0,0,0|4,0,0]=4 427 B12R0.233 COCCNC(=O)CSCC(=O)N 240690a_100000209980_100000150265 [0,0,0,0,0,0|4,0,0]=4 428 B12R0.233 COCCNC(=O)CSCC(=O)N 527a_100000209980_100000150265 [0,0,0,0,0,0|4,0,0]=4 429 B12R0.233 COCCNC(=O)CSCC(=O)N 62a_100000183275_100000747473 [0,0,0,0,0,0|4,0,0]=4 430 B12R0.233 COCCNC(=O)CSCC(=O)N 62a_100000747473_100000183275 [0,0,0,0,0,0|4,0,0]=4 431 B12R0.233 COCCNC(=O)CSCC(=O)[O-] 62a_100000183275_100020667443 [0,0,0,0,0,0|3,0,1]=4 432 B12R0.233 COCCNC(=O)CSCC(=O)[O-] 62a_100020667443_100000183275 [0,0,0,0,0,0|3,0,1]=4 433 B12R0.233 COCCNC(=O)NCCC(=O)N 273464a_100000209980_100000740010 [0,0,0,0,0,0|4,0,0]=4 434 B12R0.233 COCCNC(=O)NCCC(=O)N 273464a_100000740010_100000209980 [0,0,0,0,0,0|4,0,0]=4 435 B12R0.233 COCCOC(=O)CNCC(=O)N 2230a_100000711301_200000040189 [0,0,0,0,0,0|4,0,0]=4 436 B12R0.233 COCCOC(=O)CNCC(=O)O 269956a_100016091260_200000040189 [0,0,0,0,0,0|3,0,0]=3 437 B12R0.233 COCCOC(=O)COCC(=O)C 34a_100000211253_200000040189 [0,0,0,0,0,0|4,0,0]=4 438 B12R0.233 COCCOC(=O)CSCC(=O)N 62a_100000747473_200000040189 [0,0,0,0,0,0|4,0,0]=4 439 B12R0.233 COCCOC(=O)CSCC(=O)N 62a_200000040189_100000747473 [0,0,0,0,0,0|4,0,0]=4 440 B12R0.233 COCCOC(=O)CSCC(=O)[O-] 62a_100020667443_200000040189 [0,0,0,0,0,0|3,0,1]=4 441 B12R0.233 COCCOC(=O)CSCC(=O)[O-] 62a_200000040189_100020667443 [0,0,0,0,0,0|3,0,1]=4 442 B12R0.233 COCNCC(=O)NCCC(=O)N 2230a_200138414118_100000766300 [0,0,0,0,0,0|4,0,0]=4 443 B12R0.233 CSCCCC(=O)CCC=C(C)C 1458a_100000173376_100011217483 [0,0,0,0,0,0|3,0,1]=4 444 B12R0.233 CSCCCC(=O)CCC=C(F)F 1458a_100000173376_200009816681 [0,0,0,0,0,0|3,0,1]=4 445 B12R0.233 CSCCCC(=O)CCCC(=O)C 1458a_100000173376_100011215641 [0,0,0,0,0,0|2,0,0]=2 446 B12R0.233 CSCCCC(=O)CCCC(=O)N 1458a_100000173376_100102525003 [0,0,0,0,0,0|2,0,0]=2 447 B12R0.233 CSCCCC(=O)CCCC(C)C 1458a_100000173376_100011214892 [0,0,0,0,0,0|3,0,1]=4 448 B12R0.233 CSCCCC(=O)CCCC(C)O 1458a_100000173376_200000718107 [0,0,0,0,0,0|2,0,1]=3 449 B12R0.233 CSCCCC(=O)CCCN(C)C 1458a_100000173376_100000695564 [0,0,0,0,0,0|4,0,0]=4 450 B12R0.233 CSCCCC(=O)CCNC(=O)C 1458a_100000173376_100000189650 [0,0,0,0,0,0|3,0,0]=3 451 B12R0.233 CSCCCC(=O)CCNC(=O)N 1458a_100000173376_200000034859 [0,0,0,0,0,0|3,0,0]=3 452 B12R0.233 CSCCCC(=O)CCOC(=O)C 1458a_100000173376_100009814007 [0,0,0,0,0,0|3,0,0]=3 453 B12R0.233 CSCCCC(=O)CCOC(=O)N 1458a_100000173376_200011214921 [0,0,0,0,0,0|3,0,0]=3 454 B12R0.233 CSCCCC(=O)NCCC(=O)N 11a_100000740010_100000173376 [0,0,0,0,0,0|3,0,0]=3 455 B12R0.233 CSCCCC(=O)NCCC(=O)N 240690a_100000740010_100000173376 [0,0,0,0,0,0|3,0,0]=3 456 B12R0.233 CSCCCC(=O)NCCC(=O)N 527a_100000740010_100000173376 [0,0,0,0,0,0|3,0,0]=3 457 B12R0.233 CSCCCC(=O)NCCC(C)O 240690a_200000755665_100000173376 [0,0,0,0,0,0|3,0,1]=4 458 B12R0.233 CSCCCC(=O)NCCC(C)O 527a_200000755665_100000173376 [0,0,0,0,0,0|3,0,1]=4 459 B12R0.233 CSCCNC(=O)CCCC(C)O 1626a_100020590264_100000761597 [0,0,0,0,0,0|3,0,1]=4 460 B12R0.233 CSCCNC(=O)CCCC(C)O 527a_100020590264_100000761597 [0,0,0,0,0,0|3,0,1]=4 461 B12R0.233 CSCCNC(=O)CCC[N+](=O)[O-] 11a_100020590264_100016109205 [0,0,0,0,0,0|3,0,1]=4 462 B12R0.233 CSCCNC(=O)CCC[N+](=O)[O-] 1626a_100020590264_100016109205 [0,0,0,0,0,0|3,0,1]=4 463 B12R0.233 CSCCNC(=O)CCC[N+](=O)[O-] 240690a_100020590264_100016109205 [0,0,0,0,0,0|3,0,1]=4 464 B12R0.233 CSCCNC(=O)CCC[N+](=O)[O-] 527a_100020590264_100016109205 [0,0,0,0,0,0|3,0,1]=4 465 B12R0.233 CSCCNC(=O)CCNC(=O)C 11a_100020590264_100000183196 [0,0,0,0,0,0|4,0,0]=4 466 B12R0.233 CSCCNC(=O)CCNC(=O)C 1626a_100020590264_100000183196 [0,0,0,0,0,0|4,0,0]=4 467 B12R0.233 CSCCNC(=O)CCNC(=O)C 240690a_100020590264_100000183196 [0,0,0,0,0,0|4,0,0]=4 468 B12R0.233 CSCCNC(=O)CCNC(=O)C 527a_100020590264_100000183196 [0,0,0,0,0,0|4,0,0]=4 469 B12R0.233 CSCCNC(=O)CCNC(=O)N 240690a_100020590264_100000181464 [0,0,0,0,0,0|4,0,0]=4 470 B12R0.233 CSCCNC(=O)CCNC(=O)N 527a_100020590264_100000181464 [0,0,0,0,0,0|4,0,0]=4 471 B12R0.233 CSCCNC(=O)CCSC(=O)C 1626a_100020590264_100000048949 [0,0,0,0,0,0|4,0,0]=4 472 B12R0.233 CSCCNC(=O)CCSC(=O)C 240690a_100020590264_100000048949 [0,0,0,0,0,0|4,0,0]=4 473 B12R0.233 CSCCNC(=O)COCC(=O)N 1626a_100020590264_100011219004 [0,0,0,0,0,0|4,0,0]=4 474 B12R0.233 CSCCNC(=O)COCC(=O)N 240690a_100020590264_100011219004 [0,0,0,0,0,0|4,0,0]=4 475 B12R0.233 CSCCNC(=O)COCC(=O)N 527a_100020590264_100011219004 [0,0,0,0,0,0|4,0,0]=4 476 B12R0.233 CSCCNC(=O)CSCC(=O)N 11a_100020590264_100000150265 [0,0,0,0,0,0|4,0,0]=4 477 B12R0.233 CSCCNC(=O)CSCC(=O)N 240690a_100020590264_100000150265 [0,0,0,0,0,0|4,0,0]=4 478 B12R0.233 CSCCNC(=O)CSCC(=O)N 527a_100020590264_100000150265 [0,0,0,0,0,0|4,0,0]=4 479 B12R0.233 CSCCNC(=O)NCCC(=O)N 2708a_100020590264_100000740010 [0,0,0,0,0,0|4,0,0]=4 480 B12R0.233 CSCCNC(=O)NCCC(=O)N 273464a_100000740010_100020590264 [0,0,0,0,0,0|4,0,0]=4 481 B12R0.233 CSCCNC(=O)NCCC(=O)N 273464a_100020590264_100000740010 [0,0,0,0,0,0|4,0,0]=4 482 B12R0.233 CSCCNC(=O)NCCC(=O)N 512a_100020590264_100000740010 [0,0,0,0,0,0|4,0,0]=4 483 B12R0.233 CSCNCC(=O)NCCC(=O)N 2230a_200138414118_100011218213 [0,0,0,0,0,0|4,0,0]=4 484 B12R0.233 N#CCCCC(=O)CCCC(=O)N 1458a_100000075515_100102525003 [0,0,0,0,0,0|2,0,1]=3 485 B12R0.233 N#CCCCC(=O)CCC[N+](=O)[O-] 1458a_100016109205_100000211468 [0,0,0,0,0,0|2,0,2]=4 486 B12R0.233 N#CCCCC(=O)CCNC(=O)N 1458a_100000075515_200000034859 [0,0,0,0,0,0|3,0,1]=4 487 B12R0.233 N#CCCCC(=O)CCNC(=O)N 1458a_100000181464_100000211468 [0,0,0,0,0,0|3,0,1]=4 488 B12R0.233 N#CCCCC(=O)CCOC(=O)N 1458a_100000075515_200011214921 [0,0,0,0,0,0|3,0,1]=4 489 B12R0.233 N#CCCCC(=O)COCC(=O)N 1458a_100011219004_100000211468 [0,0,0,0,0,0|3,0,1]=4 490 B12R0.233 N#CCCCC(=O)NCCC(=O)N 11a_100000740010_100000075515 [0,0,0,0,0,0|3,0,1]=4 491 B12R0.233 N#CCCCC(=O)NCCC(=O)N 240690a_100000740010_100000075515 [0,0,0,0,0,0|3,0,1]=4 492 B12R0.233 N#CCCCC(=O)NCCC(=O)N 527a_100000740010_100000075515 [0,0,0,0,0,0|3,0,1]=4 493 B12R0.233 N#CCSCC(=O)CCCC(=O)N 1458a_100000150266_100102525003 [0,0,0,0,0,0|3,0,1]=4 494 B12R0.233 NC(=NCCC(=O)CCCCF)N 1458a_100000033030_100000729493 [0,0,0,0,0,0|4,0,0]=4 495 B12R0.233 NC(=NCCC(=O)CCCCO)N 1458a_100000033030_100000210776 [0,0,0,0,0,0|4,0,0]=4 496 B12R0.233 NC(=O)CCCC(=O)CCCCO 1458a_100000695505_100102525003 [0,0,0,0,0,0|2,0,0]=2 497 B12R0.233 NC(=O)CCCC(=O)COCCO 1458a_100000708028_100102525003 [0,0,0,0,0,0|3,0,0]=3 498 B12R0.233 NC(=O)CCNC(=O)CNCCF 2230a_200138414118_100011217306 [0,0,0,0,0,0|4,0,0]=4 499 B12R0.233 NC(=O)CCNC(=O)CNCCO 2230a_200138414118_100000211926 [0,0,0,0,0,0|4,0,0]=4 500 B12R0.233 NC(=O)CCNC(=O)COCCO 240690a_100000740010_100000708028 [0,0,0,0,0,0|4,0,0]=4 501 B12R0.233 NC(=O)CCNC(=O)NCCCF 2708a_100015189416_100000740010 [0,0,0,0,0,0|4,0,0]=4 502 B12R0.233 NC(=O)CCNC(=O)NCCCF 273464a_100000740010_100015189416 [0,0,0,0,0,0|4,0,0]=4 503 B12R0.233 NC(=O)CCNC(=O)NCCCF 273464a_100015189416_100000740010 [0,0,0,0,0,0|4,0,0]=4 504 B12R0.233 NC(=O)CCNC(=O)NCCCF 512a_100015189416_100000740010 [0,0,0,0,0,0|4,0,0]=4 505 B12R0.233 NC(=O)CCNC(=O)NCCCO 273464a_100000182051_100000740010 [0,0,0,0,0,0|4,0,0]=4 506 B12R0.233 NC(=O)CCNC(=O)NCCCO 273464a_100000740010_100000182051 [0,0,0,0,0,0|4,0,0]=4 507 B12R0.233 NC(=O)COCC(=O)CCCCF 1458a_100011219004_100000729493 [0,0,0,0,0,0|3,0,0]=3 508 B12R0.233 NC(=O)COCC(=O)CCCCO 1458a_100011219004_100000210776 [0,0,0,0,0,0|3,0,0]=3 509 B12R0.233 NC(=O)COCC(=O)NCCCF 1626a_100015189416_100011219004 [0,0,0,0,0,0|4,0,0]=4 510 B12R0.233 NC(=O)COCC(=O)NCCCF 240690a_100015189416_100011219004 [0,0,0,0,0,0|4,0,0]=4 511 B12R0.233 NC(=O)COCC(=O)NCCCF 527a_100015189416_100011219004 [0,0,0,0,0,0|4,0,0]=4 512 B12R0.233 NC(=O)COCC(=O)NCCCO 240690a_100000182051_100011219004 [0,0,0,0,0,0|4,0,0]=4 513 B12R0.233 NC(=O)COCC(=O)NCCCO 527a_100000182051_100011219004 [0,0,0,0,0,0|4,0,0]=4 514 B12R0.233 NC(=O)CSCC(=O)NCCCF 11a_100015189416_100000150265 [0,0,0,0,0,0|4,0,0]=4 515 B12R0.233 NC(=O)CSCC(=O)NCCCF 240690a_100015189416_100000150265 [0,0,0,0,0,0|4,0,0]=4 516 B12R0.233 NC(=O)CSCC(=O)NCCCF 527a_100015189416_100000150265 [0,0,0,0,0,0|4,0,0]=4 517 B12R0.233 NC(=O)CSCC(=O)NCCCO 240690a_100000182051_100000150265 [0,0,0,0,0,0|4,0,0]=4 518 B12R0.233 NC(=O)CSCC(=O)NCCCO 527a_100000182051_100000150265 [0,0,0,0,0,0|4,0,0]=4 519 B12R0.233 NC(=O)NCCC(=O)CCCCF 1458a_100000181464_100000729493 [0,0,0,0,0,0|3,0,0]=3 520 B12R0.233 NC(=O)NCCC(=O)CCCCO 1458a_100000181464_100000210776 [0,0,0,0,0,0|3,0,0]=3 521 B12R0.233 NC(=O)NCCC(=O)CCCCO 1458a_100000695505_200000034859 [0,0,0,0,0,0|3,0,0]=3 522 B12R0.233 NC(=O)NCCC(=O)COCCO 1458a_100000708028_200000034859 [0,0,0,0,0,0|4,0,0]=4 523 B12R0.233 NC(=O)NCCC(=O)NCCCF 240690a_100015189416_100000181464 [0,0,0,0,0,0|4,0,0]=4 524 B12R0.233 NC(=O)NCCC(=O)NCCCF 527a_100015189416_100000181464 [0,0,0,0,0,0|4,0,0]=4 525 B12R0.233 NC(=O)NCCC(=O)NCCCO 240690a_100000182051_100000181464 [0,0,0,0,0,0|4,0,0]=4 526 B12R0.233 NC(=O)NCCC(=O)NCCCO 527a_100000182051_100000181464 [0,0,0,0,0,0|4,0,0]=4 527 B12R0.233 NC(=O)OCCC(=O)CCCCO 1458a_100000695505_200011214921 [0,0,0,0,0,0|3,0,0]=3 528 B12R0.233 NC(=O)OCCC(=O)COCCO 1458a_100000708028_200011214921 [0,0,0,0,0,0|4,0,0]=4 529 B12R0.233 O=C(CCC=C(F)F)CCCCO 1458a_100000695505_200009816681 [0,0,0,0,0,0|3,0,1]=4 530 B12R0.233 O=C(CCCCF)CCC[N+](=O)[O-] 1458a_100016109205_100000729493 [0,0,0,0,0,0|2,0,1]=3 531 B12R0.233 O=C(CCCCO)CCC[N+](=O)[O-] 1458a_100016109205_100000210776 [0,0,0,0,0,0|2,0,1]=3 532 B12R0.233 O=C(CCC[N+](=O)[O-])NCCCF 11a_100015189416_100016109205 [0,0,0,0,0,0|3,0,1]=4 533 B12R0.233 O=C(CCC[N+](=O)[O-])NCCCF 1626a_100015189416_100016109205 [0,0,0,0,0,0|3,0,1]=4 534 B12R0.233 O=C(CCC[N+](=O)[O-])NCCCF 240690a_100015189416_100016109205 [0,0,0,0,0,0|3,0,1]=4 535 B12R0.233 O=C(CCC[N+](=O)[O-])NCCCF 527a_100015189416_100016109205 [0,0,0,0,0,0|3,0,1]=4 536 B12R0.233 O=C(CCC[N+](=O)[O-])NCCCO 240690a_100000182051_100016109205 [0,0,0,0,0,0|3,0,1]=4 537 B12R0.233 O=C(CCC[N+](=O)[O-])NCCCO 527a_100000182051_100016109205 [0,0,0,0,0,0|3,0,1]=4 538 B12R0.233 [N-]=[N+]=NCCC(=O)CCCC(=O)N 1458a_100000688302_100102525003 [0,0,0,0,0,0|4,0,0]=4 539 B11R0.140 C#CCCCC(=O)CCCC=C 1458a_100000690238_100000757094 [1,0,0,0,0,0|1,0,2]=4 540 B11R0.140 C#CCCCC(=O)CCCC=C 1458a_100000766728_100000731252 [1,0,0,0,0,0|1,0,2]=4 541 B11R0.140 C#CCCCC(=O)CCCCC 1458a_100000212188_100000731252 [1,0,0,0,0,0|1,0,1]=3 542 B11R0.140 C#CCCCC(=O)CCCCC 1458a_100000690238_100000210326 [1,0,0,0,0,0|1,0,1]=3 543 B11R0.140 C#CCCCC(=O)CCCCF 1458a_100000690238_100000729493 [1,0,0,0,0,0|2,0,1]=4 544 B11R0.140 C#CCCCC(=O)CCCCO 1458a_100000690238_100000210776 [1,0,0,0,0,0|0,0,3]=4 545 B11R0.140 C#CCCCC(=O)CCCCO 1458a_100000695505_100000731252 [1,0,0,0,0,0|0,0,3]=4 546 B11R0.140 C#CCCCC(=O)CCCOC 1458a_100000690238_100000740836 [1,0,0,0,0,0|2,0,1]=4 547 B11R0.140 C#CCCCC(=O)CCCOC 1458a_100000741012_100000731252 [1,0,0,0,0,0|2,0,1]=4 548 B11R0.140 C#CCCCC(=O)CCCSC 1458a_100000173376_100000731252 [1,0,0,0,0,0|2,0,1]=4 549 B11R0.140 C#CCCCC(=O)CCOCC 1458a_100000690238_100011215890 [1,0,0,0,0,0|2,0,1]=4 550 B11R0.140 C#CCCCC(=O)CCOCC 1458a_100000749530_100000731252 [1,0,0,0,0,0|2,0,1]=4 551 B11R0.140 C#CCCCC(=O)CCSCC 1458a_100000230768_100000731252 [1,0,0,0,0,0|2,0,1]=4 552 B11R0.140 C#CCCCC(=O)CCSCC 1458a_100000690238_100000757381 [1,0,0,0,0,0|2,0,1]=4 553 B11R0.140 C#CCCCC(=O)COCCC 1458a_100000745993_100000731252 [1,0,0,0,0,0|2,0,1]=4 554 B11R0.140 C#CCCCC(=O)CSCCC 1458a_100000217233_100000731252 [1,0,0,0,0,0|2,0,1]=4 555 B11R0.140 C#CCCCC(=O)NCCCC 11a_100000102301_100000690238 [1,0,0,0,0,0|2,0,1]=4 556 B11R0.140 C#CCCCC(=O)NCCCC 1626a_100000102301_100000690238 [1,0,0,0,0,0|2,0,1]=4 557 B11R0.140 C#CCCCC(=O)NCCCC 240690a_100000102301_100000690238 [1,0,0,0,0,0|2,0,1]=4 558 B11R0.140 C#CCCCC(=O)NCCCC 527a_100000102301_100000690238 [1,0,0,0,0,0|2,0,1]=4 559 B11R0.140 C#CCCNC(=O)CCCCC 11a_100000755551_100000212188 [1,0,0,0,0,0|2,0,1]=4 560 B11R0.140 C#CCCNC(=O)CCCCC 1626a_100000755551_100000212188 [1,0,0,0,0,0|2,0,1]=4 561 B11R0.140 C#CCCNC(=O)CCCCC 240690a_100000755551_100000212188 [1,0,0,0,0,0|2,0,1]=4 562 B11R0.140 C#CCCNC(=O)CCCCC 527a_100000755551_100000212188 [1,0,0,0,0,0|2,0,1]=4 563 B11R0.140 C#CCNCC(=O)CCCCC 34a_100000212058_200012276598 [1,0,0,0,0,0|2,0,1]=4 564 B11R0.140 C#CCOCC(=O)CCCCC 1458a_100011251226_100000210326 [1,0,0,0,0,0|2,0,1]=4 565 B11R0.140 C#CCOCC(=O)CCCCC 34a_100000210247_200012276598 [1,0,0,0,0,0|2,0,1]=4 566 B11R0.140 C#CCSCC(=O)CCCCC 62a_100000038162_200012276598 [1,0,0,0,0,0|2,0,1]=4 567 B11R0.140 C=CCCCC(=O)C#CCCC 1458a_200011218047_100000757094 [1,0,0,0,0,0|1,0,2]=4 568 B11R0.140 C=CCCCC(=O)C/C=C/CC 1458a_100016274230_100000757094 [1,0,0,0,0,0|1,0,2]=4 569 B11R0.140 C=CCCCC(=O)C/C=C\CC 1458a_100000766728_100103147603 [1,0,0,0,0,0|1,0,2]=4 570 B11R0.140 C=CCCCC(=O)C=CCCC 1458a_100000212230_100000757094 [1,0,0,0,0,0|1,0,2]=4 571 B11R0.140 C=CCCCC(=O)CC#CCC 1458a_100000766728_100009813939 [1,0,0,0,0,0|1,0,2]=4 572 B11R0.140 C=CCCCC(=O)CCCC#N 1458a_100000075515_100000757094 [1,0,0,0,0,0|2,0,1]=4 573 B11R0.140 C=CCCCC(=O)CCCC#N 1458a_100000766728_100000211468 [1,0,0,0,0,0|2,0,1]=4 574 B11R0.140 C=CCCCC(=O)CCCC=C 1458a_100000766728_100000757094 [1,0,0,0,0,0|1,0,2]=4 575 B11R0.140 C=CCCCC(=O)CCCCC 1458a_100000212188_100000757094 [1,0,0,0,0,0|1,0,0]=2 576 B11R0.140 C=CCCCC(=O)CCCCC 1458a_100000766728_100000210326 [1,0,0,0,0,0|1,0,0]=2 577 B11R0.140 C=CCCCC(=O)CCCCF 1458a_100000766728_100000729493 [1,0,0,0,0,0|2,0,0]=3 578 B11R0.140 C=CCCCC(=O)CCCCO 1458a_100000695505_100000757094 [1,0,0,0,0,0|2,0,0]=3 579 B11R0.140 C=CCCCC(=O)CCCCO 1458a_100000766728_100000210776 [1,0,0,0,0,0|2,0,0]=3 580 B11R0.140 C=CCCCC(=O)CCCOC 1458a_100000741012_100000757094 [1,0,0,0,0,0|2,0,0]=3 581 B11R0.140 C=CCCCC(=O)CCCOC 1458a_100000766728_100000740836 [1,0,0,0,0,0|2,0,0]=3 582 B11R0.140 C=CCCCC(=O)CCCSC 1458a_100000173376_100000757094 [1,0,0,0,0,0|2,0,0]=3 583 B11R0.140 C=CCCCC(=O)CCOCC 1458a_100000749530_100000757094 [1,0,0,0,0,0|2,0,0]=3 584 B11R0.140 C=CCCCC(=O)CCOCC 1458a_100000766728_100011215890 [1,0,0,0,0,0|2,0,0]=3 585 B11R0.140 C=CCCCC(=O)CCSCC 1458a_100000230768_100000757094 [1,0,0,0,0,0|2,0,0]=3 586 B11R0.140 C=CCCCC(=O)CCSCC 1458a_100000766728_100000757381 [1,0,0,0,0,0|2,0,0]=3 587 B11R0.140 C=CCCCC(=O)COCCC 1458a_100000745993_100000757094 [1,0,0,0,0,0|2,0,0]=3 588 B11R0.140 C=CCCCC(=O)COCCO 1458a_100000708028_100000757094 [1,0,0,0,0,0|3,0,0]=4 589 B11R0.140 C=CCCCC(=O)CSCCC 1458a_100000217233_100000757094 [1,0,0,0,0,0|2,0,0]=3 590 B11R0.140 C=CCCCC(=O)NCCCC 11a_100000102301_100000766728 [1,0,0,0,0,0|2,0,0]=3 591 B11R0.140 C=CCCCC(=O)NCCCC 1626a_100000102301_100000766728 [1,0,0,0,0,0|2,0,0]=3 592 B11R0.140 C=CCCCC(=O)NCCCC 240690a_100000102301_100000766728 [1,0,0,0,0,0|2,0,0]=3 593 B11R0.140 C=CCCCC(=O)NCCCC 527a_100000102301_100000766728 [1,0,0,0,0,0|2,0,0]=3 594 B11R0.140 C=CCCCC(=O)NCCCF 11a_100015189416_100000766728 [1,0,0,0,0,0|3,0,0]=4 595 B11R0.140 C=CCCCC(=O)NCCCF 1626a_100015189416_100000766728 [1,0,0,0,0,0|3,0,0]=4 596 B11R0.140 C=CCCCC(=O)NCCCF 240690a_100015189416_100000766728 [1,0,0,0,0,0|3,0,0]=4 597 B11R0.140 C=CCCCC(=O)NCCCF 527a_100015189416_100000766728 [1,0,0,0,0,0|3,0,0]=4 598 B11R0.140 C=CCCCC(=O)NCCCO 240690a_100000182051_100000766728 [1,0,0,0,0,0|3,0,0]=4 599 B11R0.140 C=CCCCC(=O)NCCCO 527a_100000182051_100000766728 [1,0,0,0,0,0|3,0,0]=4 600 B11R0.140 C=CCCCC(=O)NCCOC 1626a_100000209980_100000766728 [1,0,0,0,0,0|3,0,0]=4 601 B11R0.140 C=CCCCC(=O)NCCOC 240690a_100000209980_100000766728 [1,0,0,0,0,0|3,0,0]=4 602 B11R0.140 C=CCCCC(=O)NCCOC 527a_100000209980_100000766728 [1,0,0,0,0,0|3,0,0]=4 603 B11R0.140 C=CCCCC(=O)NCCSC 11a_100020590264_100000766728 [1,0,0,0,0,0|3,0,0]=4 604 B11R0.140 C=CCCCC(=O)NCCSC 1626a_100020590264_100000766728 [1,0,0,0,0,0|3,0,0]=4 605 B11R0.140 C=CCCCC(=O)NCCSC 240690a_100020590264_100000766728 [1,0,0,0,0,0|3,0,0]=4 606 B11R0.140 C=CCCCC(=O)NCCSC 527a_100020590264_100000766728 [1,0,0,0,0,0|3,0,0]=4 607 B11R0.140 C=CCCCC(=O)NNCCC 22a_100000740057_100000766728 [1,0,0,0,0,0|3,0,0]=4 608 B11R0.140 C=CCCCN(C)CCCCC 2230a_100000223495_100011713584 [1,0,0,0,0,0|3,0,0]=4 609 B11R0.140 C=CCCCN(C)CCCCC 269982a_100000223495_100000757094 [1,0,0,0,0,0|3,0,0]=4 610 B11R0.140 C=CCCNC(=O)CCCCC 11a_100015191253_100000212188 [1,0,0,0,0,0|2,0,0]=3 611 B11R0.140 C=CCCNC(=O)CCCCC 1626a_100015191253_100000212188 [1,0,0,0,0,0|2,0,0]=3 612 B11R0.140 C=CCCNC(=O)CCCCC 240690a_100015191253_100000212188 [1,0,0,0,0,0|2,0,0]=3 613 B11R0.140 C=CCCNC(=O)CCCCC 527a_100015191253_100000212188 [1,0,0,0,0,0|2,0,0]=3 614 B11R0.140 C=CCCNC(=O)CCCCO 1626a_100015191253_100000695505 [1,0,0,0,0,0|3,0,0]=4 615 B11R0.140 C=CCCNC(=O)CCCOC 11a_100015191253_100000741012 [1,0,0,0,0,0|3,0,0]=4 616 B11R0.140 C=CCCNC(=O)CCCOC 1626a_100015191253_100000741012 [1,0,0,0,0,0|3,0,0]=4 617 B11R0.140 C=CCCNC(=O)CCCOC 240690a_100015191253_100000741012 [1,0,0,0,0,0|3,0,0]=4 618 B11R0.140 C=CCCNC(=O)CCCOC 527a_100015191253_100000741012 [1,0,0,0,0,0|3,0,0]=4 619 B11R0.140 C=CCCNC(=O)CCCSC 11a_100015191253_100000173376 [1,0,0,0,0,0|3,0,0]=4 620 B11R0.140 C=CCCNC(=O)CCCSC 1626a_100015191253_100000173376 [1,0,0,0,0,0|3,0,0]=4 621 B11R0.140 C=CCCNC(=O)CCCSC 240690a_100015191253_100000173376 [1,0,0,0,0,0|3,0,0]=4 622 B11R0.140 C=CCCNC(=O)CCCSC 527a_100015191253_100000173376 [1,0,0,0,0,0|3,0,0]=4 623 B11R0.140 C=CCCNC(=O)CCOCC 11a_100015191253_100000749530 [1,0,0,0,0,0|3,0,0]=4 624 B11R0.140 C=CCCNC(=O)CCOCC 1626a_100015191253_100000749530 [1,0,0,0,0,0|3,0,0]=4 625 B11R0.140 C=CCCNC(=O)CCOCC 240690a_100015191253_100000749530 [1,0,0,0,0,0|3,0,0]=4 626 B11R0.140 C=CCCNC(=O)CCOCC 527a_100015191253_100000749530 [1,0,0,0,0,0|3,0,0]=4 627 B11R0.140 C=CCCNC(=O)CCSCC 11a_100015191253_100000230768 [1,0,0,0,0,0|3,0,0]=4 628 B11R0.140 C=CCCNC(=O)CCSCC 1626a_100015191253_100000230768 [1,0,0,0,0,0|3,0,0]=4 629 B11R0.140 C=CCCNC(=O)CCSCC 240690a_100015191253_100000230768 [1,0,0,0,0,0|3,0,0]=4 630 B11R0.140 C=CCCNC(=O)CCSCC 527a_100015191253_100000230768 [1,0,0,0,0,0|3,0,0]=4 631 B11R0.140 C=CCCNC(=O)COCCC 11a_100015191253_100000745993 [1,0,0,0,0,0|3,0,0]=4 632 B11R0.140 C=CCCNC(=O)COCCC 1626a_100015191253_100000745993 [1,0,0,0,0,0|3,0,0]=4 633 B11R0.140 C=CCCNC(=O)COCCC 240690a_100015191253_100000745993 [1,0,0,0,0,0|3,0,0]=4 634 B11R0.140 C=CCCNC(=O)COCCC 527a_100015191253_100000745993 [1,0,0,0,0,0|3,0,0]=4 635 B11R0.140 C=CCCNC(=O)CSCCC 11a_100015191253_100000217233 [1,0,0,0,0,0|3,0,0]=4 636 B11R0.140 C=CCCNC(=O)CSCCC 1626a_100015191253_100000217233 [1,0,0,0,0,0|3,0,0]=4 637 B11R0.140 C=CCCNC(=O)CSCCC 240690a_100015191253_100000217233 [1,0,0,0,0,0|3,0,0]=4 638 B11R0.140 C=CCCNC(=O)CSCCC 527a_100015191253_100000217233 [1,0,0,0,0,0|3,0,0]=4 639 B11R0.140 C=CCCNC(=O)NCCCC 2708a_100000102301_100015191253 [1,0,0,0,0,0|3,0,0]=4 640 B11R0.140 C=CCCNC(=O)NCCCC 2708a_100015191253_100000102301 [1,0,0,0,0,0|3,0,0]=4 641 B11R0.140 C=CCCNC(=O)NCCCC 273464a_100000102301_100015191253 [1,0,0,0,0,0|3,0,0]=4 642 B11R0.140 C=CCCNC(=O)NCCCC 273464a_100015191253_100000102301 [1,0,0,0,0,0|3,0,0]=4 643 B11R0.140 C=CCCNC(=O)NCCCC 512a_100000102301_100015191253 [1,0,0,0,0,0|3,0,0]=4 644 B11R0.140 C=CCCNC(=O)NCCCC 512a_100015191253_100000102301 [1,0,0,0,0,0|3,0,0]=4 645 B11R0.140 C=CCNCC(=O)CCCCC 2230a_100020586998_200012276598 [1,0,0,0,0,0|2,0,0]=3 646 B11R0.140 C=CCNCC(=O)NCCCC 2230a_100020586998_100000182744 [1,0,0,0,0,0|3,0,0]=4 647 B11R0.140 C=CCNCC(=O)OCCCC 2230a_100020586998_100000211628 [1,0,0,0,0,0|3,0,0]=4 648 B11R0.140 C=CCNNC(=O)CCCCC 22a_100020588587_100000212188 [1,0,0,0,0,0|3,0,0]=4 649 B11R0.140 C=CCOCC(=O)CCCCC 34a_200000210373_200012276598 [1,0,0,0,0,0|2,0,0]=3 650 B11R0.140 C=CCOCC(=O)NCCCC 34a_200000210373_100000182744 [1,0,0,0,0,0|3,0,0]=4 651 B11R0.140 C=CCOCC(=O)OCCCC 34a_200000210373_100000211628 [1,0,0,0,0,0|3,0,0]=4 652 B11R0.140 C=CCSCC(=O)CCCCC 1458a_100000230395_100000210326 [1,0,0,0,0,0|2,0,0]=3 653 B11R0.140 C=CCSCC(=O)CCCCC 62a_100000210623_200012276598 [1,0,0,0,0,0|2,0,0]=3 654 B11R0.140 C=CCSCC(=O)CCCCC 62a_200012276598_100000210623 [1,0,0,0,0,0|2,0,0]=3 655 B11R0.140 C=CCSCC(=O)CCCCF 1458a_100000230395_100000729493 [1,0,0,0,0,0|3,0,0]=4 656 B11R0.140 C=CCSCC(=O)CCCCO 1458a_100000230395_100000210776 [1,0,0,0,0,0|3,0,0]=4 657 B11R0.140 C=CCSCC(=O)CCCOC 1458a_100000230395_100000740836 [1,0,0,0,0,0|3,0,0]=4 658 B11R0.140 C=CCSCC(=O)CCOCC 1458a_100000230395_100011215890 [1,0,0,0,0,0|3,0,0]=4 659 B11R0.140 C=CCSCC(=O)CCSCC 1458a_100000230395_100000757381 [1,0,0,0,0,0|3,0,0]=4 660 B11R0.140 C=CCSCC(=O)NCCCC 11a_100000102301_100000230395 [1,0,0,0,0,0|3,0,0]=4 661 B11R0.140 C=CCSCC(=O)NCCCC 1626a_100000102301_100000230395 [1,0,0,0,0,0|3,0,0]=4 662 B11R0.140 C=CCSCC(=O)NCCCC 240690a_100000102301_100000230395 [1,0,0,0,0,0|3,0,0]=4 663 B11R0.140 C=CCSCC(=O)NCCCC 527a_100000102301_100000230395 [1,0,0,0,0,0|3,0,0]=4 664 B11R0.140 C=CCSCC(=O)NCCCC 62a_100000182744_100000210623 [1,0,0,0,0,0|3,0,0]=4 665 B11R0.140 C=CCSCC(=O)NCCCC 62a_100000210623_100000182744 [1,0,0,0,0,0|3,0,0]=4 666 B11R0.140 C=CCSCC(=O)OCCCC 62a_100000210623_100000211628 [1,0,0,0,0,0|3,0,0]=4 667 B11R0.140 C=CCSCC(=O)OCCCC 62a_100000211628_100000210623 [1,0,0,0,0,0|3,0,0]=4 668 B11R0.140 C=COCCC(=O)CCCCC 1458a_100000212188_100000039644 [1,0,0,0,0,0|2,0,0]=3 669 B11R0.140 C=COCCC(=O)CCCCO 1458a_100000695505_100000039644 [1,0,0,0,0,0|3,0,0]=4 670 B11R0.140 C=COCCC(=O)CCCOC 1458a_100000741012_100000039644 [1,0,0,0,0,0|3,0,0]=4 671 B11R0.140 C=COCCC(=O)CCCSC 1458a_100000173376_100000039644 [1,0,0,0,0,0|3,0,0]=4 672 B11R0.140 C=COCCC(=O)CCOCC 1458a_100000749530_100000039644 [1,0,0,0,0,0|3,0,0]=4 673 B11R0.140 C=COCCC(=O)CCSCC 1458a_100000230768_100000039644 [1,0,0,0,0,0|3,0,0]=4 674 B11R0.140 C=COCCC(=O)COCCC 1458a_100000745993_100000039644 [1,0,0,0,0,0|3,0,0]=4 675 B11R0.140 C=COCCC(=O)CSCCC 1458a_100000217233_100000039644 [1,0,0,0,0,0|3,0,0]=4 676 B11R0.140 CC/C=C/CC(=O)CCCCO 1458a_100016274230_100000210776 [1,0,0,0,0,0|0,0,3]=4 677 B11R0.140 CC/C=C\CC(=O)CCCCO 1458a_100000695505_100103147603 [1,0,0,0,0,0|0,0,3]=4 678 B11R0.140 CCC#CCC(=O)CCCCO 1458a_100000695505_100009813939 [1,0,0,0,0,0|0,0,3]=4 679 B11R0.140 CCCC#CC(=O)CCCCO 1458a_200011218047_100000210776 [1,0,0,0,0,0|0,0,3]=4 680 B11R0.140 CCCC=CC(=O)CCCCO 1458a_100000212230_100000210776 [1,0,0,0,0,0|0,0,3]=4 681 B11R0.140 CCCCCC(=O)CC#CCO 1458a_100000212188_200000047223 [1,0,0,0,0,0|0,0,3]=4 682 B11R0.140 CCCCCC(=O)CCCC#N 1458a_100000075515_100000210326 [1,0,0,0,0,0|1,0,1]=3 683 B11R0.140 CCCCCC(=O)CCCC#N 1458a_100000212188_100000211468 [1,0,0,0,0,0|1,0,1]=3 684 B11R0.140 CCCCCC(=O)CCCCC 1458a_100000212188_100000210326 [1,0,0,0,0,0|1,0,1]=3 685 B11R0.140 CCCCCC(=O)CCCCF 1458a_100000212188_100000729493 [1,0,0,0,0,0|1,0,1]=3 686 B11R0.140 CCCCCC(=O)CCCCO 1458a_100000212188_100000210776 [1,0,0,0,0,0|0,0,1]=2 687 B11R0.140 CCCCCC(=O)CCCCO 1458a_100000695505_100000210326 [1,0,0,0,0,0|0,0,1]=2 688 B11R0.140 CCCCCC(=O)CCCOC 1458a_100000212188_100000740836 [1,0,0,0,0,0|2,0,0]=3 689 B11R0.140 CCCCCC(=O)CCCOC 1458a_100000741012_100000210326 [1,0,0,0,0,0|2,0,0]=3 690 B11R0.140 CCCCCC(=O)CCCSC 1458a_100000173376_100000210326 [1,0,0,0,0,0|2,0,0]=3 691 B11R0.140 CCCCCC(=O)CCN=[N+]=[N-] 1458a_100000688302_100000210326 [1,0,0,0,0,0|3,0,0]=4 692 B11R0.140 CCCCCC(=O)CCOCC 1458a_100000212188_100011215890 [1,0,0,0,0,0|2,0,1]=4 693 B11R0.140 CCCCCC(=O)CCOCC 1458a_100000749530_100000210326 [1,0,0,0,0,0|2,0,1]=4 694 B11R0.140 CCCCCC(=O)CCSCC 1458a_100000212188_100000757381 [1,0,0,0,0,0|2,0,1]=4 695 B11R0.140 CCCCCC(=O)CCSCC 1458a_100000230768_100000210326 [1,0,0,0,0,0|2,0,1]=4 696 B11R0.140 CCCCCC(=O)CNCCF 34a_100000724931_200012276598 [1,0,0,0,0,0|2,0,1]=4 697 B11R0.140 CCCCCC(=O)CNCCO 2230a_100016997473_200012276598 [1,0,0,0,0,0|1,0,1]=3 698 B11R0.140 CCCCCC(=O)CNCCO 34a_100016990907_200012276598 [1,0,0,0,0,0|1,0,1]=3 699 B11R0.140 CCCCCC(=O)COCCBr 34a_100000211926_200012276598 [1,0,0,0,0,0|2,0,1]=4 700 B11R0.140 CCCCCC(=O)COCCC 1458a_100000745993_100000210326 [1,0,0,0,0,0|2,0,1]=4 701 B11R0.140 CCCCCC(=O)COCCC 34a_100000210258_200012276598 [1,0,0,0,0,0|2,0,1]=4 702 B11R0.140 CCCCCC(=O)COCCN 34a_100000210304_200012276598 [1,0,0,0,0,0|2,0,1]=4 703 B11R0.140 CCCCCC(=O)COCCO 1458a_100000708028_100000210326 [1,0,0,0,0,0|1,0,1]=3 704 B11R0.140 CCCCCC(=O)CSCC#N 1458a_100000150266_100000210326 [1,0,0,0,0,0|2,0,1]=4 705 B11R0.140 CCCCCC(=O)CSCC#N 62a_100011215382_200012276598 [1,0,0,0,0,0|2,0,1]=4 706 B11R0.140 CCCCCC(=O)CSCC#N 62a_200012276598_100011215382 [1,0,0,0,0,0|2,0,1]=4 707 B11R0.140 CCCCCC(=O)CSCC=O 62a_200012276598_200015260668 [1,0,0,0,0,0|1,0,0]=2 708 B11R0.140 CCCCCC(=O)CSCC=O 62a_200015260668_200012276598 [1,0,0,0,0,0|1,0,0]=2 709 B11R0.140 CCCCCC(=O)CSCCC 1458a_100000217233_100000210326 [1,0,0,0,0,0|2,0,1]=4 710 B11R0.140 CCCCCC(=O)CSCCC 62a_100000210303_200012276598 [1,0,0,0,0,0|2,0,1]=4 711 B11R0.140 CCCCCC(=O)CSCCC 62a_200012276598_100000210303 [1,0,0,0,0,0|2,0,1]=4 712 B11R0.140 CCCCCC(=O)CSCCF 62a_100011217306_200012276598 [1,0,0,0,0,0|2,0,1]=4 713 B11R0.140 CCCCCC(=O)CSCCF 62a_200012276598_100011217306 [1,0,0,0,0,0|2,0,1]=4 714 B11R0.140 CCCCCC(=O)CSCCO 62a_100000211926_200012276598 [1,0,0,0,0,0|1,0,1]=3 715 B11R0.140 CCCCCC(=O)CSCCO 62a_200012276598_100000211926 [1,0,0,0,0,0|1,0,1]=3 716 B11R0.140 CCCCCC(=O)CSCOC 62a_100000766300_200012276598 [1,0,0,0,0,0|3,0,0]=4 717 B11R0.140 CCCCCC(=O)CSCOC 62a_200012276598_100000766300 [1,0,0,0,0,0|3,0,0]=4 718 B11R0.140 CCCCCC(=O)CSCSC 62a_100011218213_200012276598 [1,0,0,0,0,0|3,0,0]=4 719 B11R0.140 CCCCCC(=O)CSCSC 62a_200012276598_100011218213 [1,0,0,0,0,0|3,0,0]=4 720 B11R0.140 CCCCCC(=O)NCCC#N 11a_100000720768_100000212188 [1,0,0,0,0,0|2,0,1]=4 721 B11R0.140 CCCCCC(=O)NCCC#N 1626a_100000720768_100000212188 [1,0,0,0,0,0|2,0,1]=4 722 B11R0.140 CCCCCC(=O)NCCC#N 240690a_100000720768_100000212188 [1,0,0,0,0,0|2,0,1]=4 723 B11R0.140 CCCCCC(=O)NCCC#N 527a_100000720768_100000212188 [1,0,0,0,0,0|2,0,1]=4 724 B11R0.140 CCCCCC(=O)NCCCC 11a_100000102301_100000212188 [1,0,0,0,0,0|2,0,1]=4 725 B11R0.140 CCCCCC(=O)NCCCC 1626a_100000102301_100000212188 [1,0,0,0,0,0|2,0,1]=4 726 B11R0.140 CCCCCC(=O)NCCCC 240690a_100000102301_100000212188 [1,0,0,0,0,0|2,0,1]=4 727 B11R0.140 CCCCCC(=O)NCCCC 527a_100000102301_100000212188 [1,0,0,0,0,0|2,0,1]=4 728 B11R0.140 CCCCCC(=O)NCCCF 11a_100015189416_100000212188 [1,0,0,0,0,0|2,0,1]=4 729 B11R0.140 CCCCCC(=O)NCCCF 1626a_100015189416_100000212188 [1,0,0,0,0,0|2,0,1]=4 730 B11R0.140 CCCCCC(=O)NCCCF 240690a_100015189416_100000212188 [1,0,0,0,0,0|2,0,1]=4 731 B11R0.140 CCCCCC(=O)NCCCF 527a_100015189416_100000212188 [1,0,0,0,0,0|2,0,1]=4 732 B11R0.140 CCCCCC(=O)NCCCO 240690a_100000182051_100000212188 [1,0,0,0,0,0|1,0,1]=3 733 B11R0.140 CCCCCC(=O)NCCCO 527a_100000182051_100000212188 [1,0,0,0,0,0|1,0,1]=3 734 B11R0.140 CCCCCC(=O)NCCOC 1626a_100000209980_100000212188 [1,0,0,0,0,0|3,0,0]=4 735 B11R0.140 CCCCCC(=O)NCCOC 240690a_100000209980_100000212188 [1,0,0,0,0,0|3,0,0]=4 736 B11R0.140 CCCCCC(=O)NCCOC 527a_100000209980_100000212188 [1,0,0,0,0,0|3,0,0]=4 737 B11R0.140 CCCCCC(=O)NCCSC 11a_100020590264_100000212188 [1,0,0,0,0,0|3,0,0]=4 738 B11R0.140 CCCCCC(=O)NCCSC 1626a_100020590264_100000212188 [1,0,0,0,0,0|3,0,0]=4 739 B11R0.140 CCCCCC(=O)NCCSC 240690a_100020590264_100000212188 [1,0,0,0,0,0|3,0,0]=4 740 B11R0.140 CCCCCC(=O)NCCSC 527a_100020590264_100000212188 [1,0,0,0,0,0|3,0,0]=4 741 B11R0.140 CCCCCC(=O)NNCCO 22a_100000210001_100000212188 [1,0,0,0,0,0|2,0,1]=4 742 B11R0.140 CCCCCN(C)CCCC=O 2230a_100000223495_200011292268 [1,0,0,0,0,0|2,0,0]=3 743 B11R0.140 CCCCCN(C)CCCC=O 269982a_100000223495_200011292268 [1,0,0,0,0,0|2,0,0]=3 744 B11R0.140 CCCCCN(C)CCCCO 2230a_100000223495_100000210776 [1,0,0,0,0,0|2,0,1]=4 745 B11R0.140 CCCCCN(C)CCCCO 2230a_100000717598_100000210326 [1,0,0,0,0,0|2,0,1]=4 746 B11R0.140 CCCCCN(C)CCCCO 269982a_100000223495_100000210776 [1,0,0,0,0,0|2,0,1]=4 747 B11R0.140 CCCCCN(C)CCCCO 269982a_100000717598_100000210215 [1,0,0,0,0,0|2,0,1]=4 748 B11R0.140 CCCCNC(=O)CCCC#N 11a_100000102301_100000075515 [1,0,0,0,0,0|2,0,1]=4 749 B11R0.140 CCCCNC(=O)CCCC#N 1626a_100000102301_100000075515 [1,0,0,0,0,0|2,0,1]=4 750 B11R0.140 CCCCNC(=O)CCCC#N 240690a_100000102301_100000075515 [1,0,0,0,0,0|2,0,1]=4 751 B11R0.140 CCCCNC(=O)CCCC#N 527a_100000102301_100000075515 [1,0,0,0,0,0|2,0,1]=4 752 B11R0.140 CCCCNC(=O)CCCCO 1626a_100000102301_100000695505 [1,0,0,0,0,0|1,0,1]=3 753 B11R0.140 CCCCNC(=O)CCCOC 11a_100000102301_100000741012 [1,0,0,0,0,0|3,0,0]=4 754 B11R0.140 CCCCNC(=O)CCCOC 1626a_100000102301_100000741012 [1,0,0,0,0,0|3,0,0]=4 755 B11R0.140 CCCCNC(=O)CCCOC 240690a_100000102301_100000741012 [1,0,0,0,0,0|3,0,0]=4 756 B11R0.140 CCCCNC(=O)CCCOC 527a_100000102301_100000741012 [1,0,0,0,0,0|3,0,0]=4 757 B11R0.140 CCCCNC(=O)CCCSC 11a_100000102301_100000173376 [1,0,0,0,0,0|3,0,0]=4 758 B11R0.140 CCCCNC(=O)CCCSC 1626a_100000102301_100000173376 [1,0,0,0,0,0|3,0,0]=4 759 B11R0.140 CCCCNC(=O)CCCSC 240690a_100000102301_100000173376 [1,0,0,0,0,0|3,0,0]=4 760 B11R0.140 CCCCNC(=O)CCCSC 527a_100000102301_100000173376 [1,0,0,0,0,0|3,0,0]=4 761 B11R0.140 CCCCNC(=O)CNCCO 2230a_100016997473_100000182744 [1,0,0,0,0,0|2,0,1]=4 762 B11R0.140 CCCCNC(=O)CNCCO 34a_100016990907_100000182744 [1,0,0,0,0,0|2,0,1]=4 763 B11R0.140 CCCCNC(=O)COCCO 1626a_100000102301_100000708028 [1,0,0,0,0,0|2,0,1]=4 764 B11R0.140 CCCCNC(=O)COCCO 240690a_100000102301_100000708028 [1,0,0,0,0,0|2,0,1]=4 765 B11R0.140 CCCCNC(=O)CSCC=O 62a_100000182744_200015260668 [1,0,0,0,0,0|2,0,0]=3 766 B11R0.140 CCCCNC(=O)CSCC=O 62a_200015260668_100000182744 [1,0,0,0,0,0|2,0,0]=3 767 B11R0.140 CCCCNC(=O)CSCCO 62a_100000182744_100000211926 [1,0,0,0,0,0|2,0,1]=4 768 B11R0.140 CCCCNC(=O)CSCCO 62a_100000211926_100000182744 [1,0,0,0,0,0|2,0,1]=4 769 B11R0.140 CCCCNC(=O)NCCCO 2708a_100000102301_100000182051 [1,0,0,0,0,0|2,0,1]=4 770 B11R0.140 CCCCNC(=O)NCCCO 273464a_100000102301_100000182051 [1,0,0,0,0,0|2,0,1]=4 771 B11R0.140 CCCCNC(=O)NCCCO 273464a_100000182051_100000102301 [1,0,0,0,0,0|2,0,1]=4 772 B11R0.140 CCCCNC(=O)NCCCO 512a_100000102301_100000182051 [1,0,0,0,0,0|2,0,1]=4 773 B11R0.140 CCCCOC(=O)CNCCO 2230a_100016997473_100000211628 [1,0,0,0,0,0|2,0,1]=4 774 B11R0.140 CCCCOC(=O)CNCCO 34a_100016990907_100000211628 [1,0,0,0,0,0|2,0,1]=4 775 B11R0.140 CCCCOC(=O)CSCC=O 62a_100000211628_200015260668 [1,0,0,0,0,0|2,0,0]=3 776 B11R0.140 CCCCOC(=O)CSCC=O 62a_200015260668_100000211628 [1,0,0,0,0,0|2,0,0]=3 777 B11R0.140 CCCCOC(=O)CSCCO 62a_100000211628_100000211926 [1,0,0,0,0,0|2,0,1]=4 778 B11R0.140 CCCCOC(=O)CSCCO 62a_100000211926_100000211628 [1,0,0,0,0,0|2,0,1]=4 779 B11R0.140 CCCOCC(=O)CCCC#N 1458a_100000745993_100000211468 [1,0,0,0,0,0|2,0,1]=4 780 B11R0.140 CCCOCC(=O)CCCCF 1458a_100000745993_100000729493 [1,0,0,0,0,0|2,0,1]=4 781 B11R0.140 CCCOCC(=O)CCCCO 1458a_100000745993_100000210776 [1,0,0,0,0,0|1,0,1]=3 782 B11R0.140 CCCOCC(=O)CCCOC 1458a_100000745993_100000740836 [1,0,0,0,0,0|3,0,0]=4 783 B11R0.140 CCCOCC(=O)NCCCO 240690a_100000182051_100000745993 [1,0,0,0,0,0|2,0,1]=4 784 B11R0.140 CCCOCC(=O)NCCCO 527a_100000182051_100000745993 [1,0,0,0,0,0|2,0,1]=4 785 B11R0.140 CCCSCC(=O)CCCC#N 1458a_100000217233_100000211468 [1,0,0,0,0,0|2,0,1]=4 786 B11R0.140 CCCSCC(=O)CCCCF 1458a_100000217233_100000729493 [1,0,0,0,0,0|2,0,1]=4 787 B11R0.140 CCCSCC(=O)CCCCO 1458a_100000217233_100000210776 [1,0,0,0,0,0|1,0,1]=3 788 B11R0.140 CCCSCC(=O)CCCOC 1458a_100000217233_100000740836 [1,0,0,0,0,0|3,0,0]=4 789 B11R0.140 CCCSCC(=O)NCCCO 240690a_100000182051_100000217233 [1,0,0,0,0,0|2,0,1]=4 790 B11R0.140 CCCSCC(=O)NCCCO 527a_100000182051_100000217233 [1,0,0,0,0,0|2,0,1]=4 791 B11R0.140 CCOCCC(=O)CCCC#N 1458a_100000075515_100011215890 [1,0,0,0,0,0|2,0,1]=4 792 B11R0.140 CCOCCC(=O)CCCC#N 1458a_100000749530_100000211468 [1,0,0,0,0,0|2,0,1]=4 793 B11R0.140 CCOCCC(=O)CCCCF 1458a_100000749530_100000729493 [1,0,0,0,0,0|2,0,1]=4 794 B11R0.140 CCOCCC(=O)CCCCO 1458a_100000695505_100011215890 [1,0,0,0,0,0|1,0,1]=3 795 B11R0.140 CCOCCC(=O)CCCCO 1458a_100000749530_100000210776 [1,0,0,0,0,0|1,0,1]=3 796 B11R0.140 CCOCCC(=O)CCCOC 1458a_100000741012_100011215890 [1,0,0,0,0,0|3,0,0]=4 797 B11R0.140 CCOCCC(=O)CCCOC 1458a_100000749530_100000740836 [1,0,0,0,0,0|3,0,0]=4 798 B11R0.140 CCOCCC(=O)CCCSC 1458a_100000173376_100011215890 [1,0,0,0,0,0|3,0,0]=4 799 B11R0.140 CCOCCC(=O)COCCO 1458a_100000708028_100011215890 [1,0,0,0,0,0|2,0,1]=4 800 B11R0.140 CCOCCC(=O)NCCCO 240690a_100000182051_100000749530 [1,0,0,0,0,0|2,0,1]=4 801 B11R0.140 CCOCCC(=O)NCCCO 527a_100000182051_100000749530 [1,0,0,0,0,0|2,0,1]=4 802 B11R0.140 CCSCCC(=O)CCCC#N 1458a_100000075515_100000757381 [1,0,0,0,0,0|2,0,1]=4 803 B11R0.140 CCSCCC(=O)CCCC#N 1458a_100000230768_100000211468 [1,0,0,0,0,0|2,0,1]=4 804 B11R0.140 CCSCCC(=O)CCCCF 1458a_100000230768_100000729493 [1,0,0,0,0,0|2,0,1]=4 805 B11R0.140 CCSCCC(=O)CCCCO 1458a_100000230768_100000210776 [1,0,0,0,0,0|1,0,1]=3 806 B11R0.140 CCSCCC(=O)CCCCO 1458a_100000695505_100000757381 [1,0,0,0,0,0|1,0,1]=3 807 B11R0.140 CCSCCC(=O)CCCOC 1458a_100000230768_100000740836 [1,0,0,0,0,0|3,0,0]=4 808 B11R0.140 CCSCCC(=O)CCCOC 1458a_100000741012_100000757381 [1,0,0,0,0,0|3,0,0]=4 809 B11R0.140 CCSCCC(=O)CCCSC 1458a_100000173376_100000757381 [1,0,0,0,0,0|3,0,0]=4 810 B11R0.140 CCSCCC(=O)COCCO 1458a_100000708028_100000757381 [1,0,0,0,0,0|2,0,1]=4 811 B11R0.140 CCSCCC(=O)NCCCO 240690a_100000182051_100000230768 [1,0,0,0,0,0|2,0,1]=4 812 B11R0.140 CCSCCC(=O)NCCCO 527a_100000182051_100000230768 [1,0,0,0,0,0|2,0,1]=4 813 B11R0.140 CN(CCCC=O)CCCCO 2230a_100000717598_200011292268 [1,0,0,0,0,0|3,0,0]=4 814 B11R0.140 CN(CCCC=O)CCCCO 269982a_100000717598_200011292268 [1,0,0,0,0,0|3,0,0]=4 815 B11R0.140 COCCCC(=O)CCCC#N 1458a_100000075515_100000740836 [1,0,0,0,0,0|2,0,1]=4 816 B11R0.140 COCCCC(=O)CCCC#N 1458a_100000741012_100000211468 [1,0,0,0,0,0|2,0,1]=4 817 B11R0.140 COCCCC(=O)CCCCF 1458a_100000741012_100000729493 [1,0,0,0,0,0|2,0,1]=4 818 B11R0.140 COCCCC(=O)CCCCO 1458a_100000695505_100000740836 [1,0,0,0,0,0|1,0,1]=3 819 B11R0.140 COCCCC(=O)CCCCO 1458a_100000741012_100000210776 [1,0,0,0,0,0|1,0,1]=3 820 B11R0.140 COCCCC(=O)CCCOC 1458a_100000741012_100000740836 [1,0,0,0,0,0|3,0,0]=4 821 B11R0.140 COCCCC(=O)CCCSC 1458a_100000173376_100000740836 [1,0,0,0,0,0|3,0,0]=4 822 B11R0.140 COCCCC(=O)COCCO 1458a_100000708028_100000740836 [1,0,0,0,0,0|2,0,1]=4 823 B11R0.140 COCCCC(=O)NCCCO 240690a_100000182051_100000741012 [1,0,0,0,0,0|2,0,1]=4 824 B11R0.140 COCCCC(=O)NCCCO 527a_100000182051_100000741012 [1,0,0,0,0,0|2,0,1]=4 825 B11R0.140 COCCCN(C)CCCC=O 2230a_100000224831_200011292268 [1,0,0,0,0,0|3,0,0]=4 826 B11R0.140 COCCCN(C)CCCC=O 269982a_100000224831_200011292268 [1,0,0,0,0,0|3,0,0]=4 827 B11R0.140 COCCNC(=O)CCCCO 1626a_100000209980_100000695505 [1,0,0,0,0,0|2,0,1]=4 828 B11R0.140 COCCNC(=O)CNCC=O 2230a_100000754632_200015260668 [1,0,0,0,0,0|3,0,0]=4 829 B11R0.140 COCCNC(=O)CSCC=O 62a_100000183275_200015260668 [1,0,0,0,0,0|3,0,0]=4 830 B11R0.140 COCCNC(=O)CSCC=O 62a_200015260668_100000183275 [1,0,0,0,0,0|3,0,0]=4 831 B11R0.140 COCCOC(=O)CSCC=O 62a_200000040189_200015260668 [1,0,0,0,0,0|3,0,0]=4 832 B11R0.140 COCCOC(=O)CSCC=O 62a_200015260668_200000040189 [1,0,0,0,0,0|3,0,0]=4 833 B11R0.140 CSCCCC(=O)CCCC#N 1458a_100000173376_100000211468 [1,0,0,0,0,0|2,0,1]=4 834 B11R0.140 CSCCCC(=O)CCCCF 1458a_100000173376_100000729493 [1,0,0,0,0,0|2,0,1]=4 835 B11R0.140 CSCCCC(=O)CCCCO 1458a_100000173376_100000210776 [1,0,0,0,0,0|1,0,1]=3 836 B11R0.140 CSCCCC(=O)NCCCO 240690a_100000182051_100000173376 [1,0,0,0,0,0|2,0,1]=4 837 B11R0.140 CSCCCC(=O)NCCCO 527a_100000182051_100000173376 [1,0,0,0,0,0|2,0,1]=4 838 B11R0.140 CSCCNC(=O)CCCCO 1626a_100020590264_100000695505 [1,0,0,0,0,0|2,0,1]=4 839 B11R0.140 N#CCCCC(=O)CCCCF 1458a_100000075515_100000729493 [1,0,0,0,0,0|2,0,1]=4 840 B11R0.140 N#CCCCC(=O)CCCCO 1458a_100000075515_100000210776 [1,0,0,0,0,0|1,0,2]=4 841 B11R0.140 N#CCCCC(=O)CCCCO 1458a_100000695505_100000211468 [1,0,0,0,0,0|1,0,2]=4 842 B11R0.140 O=C(CCCCF)COCCO 1458a_100000708028_100000729493 [1,0,0,0,0,0|2,0,1]=4 843 B11R0.140 O=C(CCCCO)CCCCF 1458a_100000695505_100000729493 [1,0,0,0,0,0|1,0,1]=3 844 B11R0.140 O=C(CCCCO)CCCCO 1458a_100000695505_100000210776 [1,0,0,0,0,0|1,0,1]=3 845 B11R0.140 O=C(CCCCO)COCCO 1458a_100000708028_100000210776 [1,0,0,0,0,0|2,0,1]=4 846 B11R0.140 O=C(CCCCO)NCCCF 1626a_100015189416_100000695505 [1,0,0,0,0,0|2,0,1]=4 847 B11R0.147 C#CCCC(=O)CCCC(=O)C 1458a_100000692101_100011215641 [1,0,0,0,0,0|1,0,2]=4 848 B11R0.147 C#CCCC(=O)CCCC(=O)N 1458a_100000692101_100102525003 [1,0,0,0,0,0|1,0,2]=4 849 B11R0.147 C=CCCC(=O)CCCC(=O)C 1458a_100000749702_100011215641 [1,0,0,0,0,0|1,0,2]=4 850 B11R0.147 C=CCCC(=O)CCCC(=O)N 1458a_100000749702_100102525003 [1,0,0,0,0,0|1,0,2]=4 851 B11R0.147 CC(=O)CCCC(=O)CCC#N 1458a_100011934036_100011215641 [1,0,0,0,0,0|2,0,1]=4 852 B11R0.147 CC(=O)NCCC(=O)CCCF 1458a_100000183196_100011934791 [1,0,0,0,0,0|3,0,0]=4 853 B11R0.147 CC(=O)NCCC(=O)CCCO 1458a_100000183196_100011215043 [1,0,0,0,0,0|3,0,0]=4 854 B11R0.147 CC(=O)SCCC(=O)CCCF 1458a_100000048949_100011934791 [1,0,0,0,0,0|3,0,0]=4 855 B11R0.147 CC(=O)SCCC(=O)CCCO 1458a_100000048949_100011215043 [1,0,0,0,0,0|3,0,0]=4 856 B11R0.147 CC=CCC(=O)CCCC(=O)C 1458a_100121576822_100011215641 [1,0,0,0,0,0|1,0,2]=4 857 B11R0.147 CC=CCC(=O)CCCC(=O)N 1458a_100121576822_100102525003 [1,0,0,0,0,0|1,0,2]=4 858 B11R0.147 CCC#CC(=O)CCCC(=O)C 1458a_100011827653_100011215641 [1,0,0,0,0,0|1,0,2]=4 859 B11R0.147 CCC#CC(=O)CCCC(=O)N 1458a_100011827653_100102525003 [1,0,0,0,0,0|1,0,2]=4 860 B11R0.147 CCC=CC(=O)CCCC(=O)C 1458a_100000212282_100011215641 [1,0,0,0,0,0|1,0,2]=4 861 B11R0.147 CCC=CC(=O)CCCC(=O)N 1458a_100000212282_100102525003 [1,0,0,0,0,0|1,0,2]=4 862 B11R0.147 CCCCC(=O)CCC=C(C)C 1458a_100000210183_100011217483 [1,0,0,0,0,0|2,0,1]=4 863 B11R0.147 CCCCC(=O)CCC=C(F)F 1458a_100000210183_200009816681 [1,0,0,0,0,0|2,0,1]=4 864 B11R0.147 CCCCC(=O)CCCC(=O)C 1458a_100000210183_100011215641 [1,0,0,0,0,0|1,0,0]=2 865 B11R0.147 CCCCC(=O)CCCC(=O)N 1458a_100000210183_100102525003 [1,0,0,0,0,0|1,0,0]=2 866 B11R0.147 CCCCC(=O)CCCC(C)C 1458a_100000210183_100011214892 [1,0,0,0,0,0|2,0,1]=4 867 B11R0.147 CCCCC(=O)CCCC(C)C 1458a_100011216857_100000210211 [1,0,0,0,0,0|2,0,1]=4 868 B11R0.147 CCCCC(=O)CCCC(C)O 1458a_100000210183_200000718107 [1,0,0,0,0,0|1,0,1]=3 869 B11R0.147 CCCCC(=O)CCCN(C)C 1458a_100000210183_100000695564 [1,0,0,0,0,0|3,0,0]=4 870 B11R0.147 CCCCC(=O)CCC[N+](=O)[O-] 1458a_100016109205_100000210211 [1,0,0,0,0,0|1,0,1]=3 871 B11R0.147 CCCCC(=O)CCN=C(N)N 1458a_100000033030_100000210211 [1,0,0,0,0,0|3,0,0]=4 872 B11R0.147 CCCCC(=O)CCNC(=O)C 1458a_100000183196_100000210211 [1,0,0,0,0,0|2,0,0]=3 873 B11R0.147 CCCCC(=O)CCNC(=O)C 1458a_100000210183_100000189650 [1,0,0,0,0,0|2,0,0]=3 874 B11R0.147 CCCCC(=O)CCNC(=O)N 1458a_100000181464_100000210211 [1,0,0,0,0,0|2,0,0]=3 875 B11R0.147 CCCCC(=O)CCNC(=O)N 1458a_100000210183_200000034859 [1,0,0,0,0,0|2,0,0]=3 876 B11R0.147 CCCCC(=O)CCOC(=O)C 1458a_100000210183_100009814007 [1,0,0,0,0,0|2,0,0]=3 877 B11R0.147 CCCCC(=O)CCOC(=O)N 1458a_100000210183_200011214921 [1,0,0,0,0,0|2,0,0]=3 878 B11R0.147 CCCCC(=O)CCSC(=O)C 1458a_100000048949_100000210211 [1,0,0,0,0,0|2,0,0]=3 879 B11R0.147 CCCCC(=O)COCC(=O)N 1458a_100011219004_100000210211 [1,0,0,0,0,0|2,0,0]=3 880 B11R0.147 CCCCC(=O)NCCC(=O)N 11a_100000740010_100000210183 [1,0,0,0,0,0|2,0,0]=3 881 B11R0.147 CCCCC(=O)NCCC(=O)N 240690a_100000740010_100000210183 [1,0,0,0,0,0|2,0,0]=3 882 B11R0.147 CCCCC(=O)NCCC(=O)N 527a_100000740010_100000210183 [1,0,0,0,0,0|2,0,0]=3 883 B11R0.147 CCCCC(=O)NCCC(C)O 240690a_200000755665_100000210183 [1,0,0,0,0,0|2,0,1]=4 884 B11R0.147 CCCCC(=O)NCCC(C)O 527a_200000755665_100000210183 [1,0,0,0,0,0|2,0,1]=4 885 B11R0.147 CCCCN(C)CCCC(=O)C 269982a_100000207549_100011215641 [1,0,0,0,0,0|3,0,0]=4 886 B11R0.147 CCCCN(C)CCCC(=O)N 269982a_100000207549_100102525003 [1,0,0,0,0,0|3,0,0]=4 887 B11R0.147 CCCCN(C)CCCC(=O)O 269956a_100000719178_100000210211 [1,0,0,0,0,0|2,0,0]=3 888 B11R0.147 CCCNC(=O)CCCC(=O)C 1458a_100000070787_100011194427 [1,0,0,0,0,0|2,0,0]=3 889 B11R0.147 CCCNC(=O)CCCC(=O)C 1458a_100000199544_200000210301 [1,0,0,0,0,0|2,0,0]=3 890 B11R0.147 CCCNC(=O)CCCC(=O)[13CH3] 1458a_100000199544_200025704644 [1,0,0,0,0,0|2,0,0]=3 891 B11R0.147 CCCNC(=O)CCCC(C)O 1626a_100020643023_100000761597 [1,0,0,0,0,0|2,0,1]=4 892 B11R0.147 CCCNC(=O)CCCC(C)O 527a_100020643023_100000761597 [1,0,0,0,0,0|2,0,1]=4 893 B11R0.147 CCCNC(=O)CCC[N+](=O)[O-] 11a_100020643023_100016109205 [1,0,0,0,0,0|2,0,1]=4 894 B11R0.147 CCCNC(=O)CCC[N+](=O)[O-] 1626a_100020643023_100016109205 [1,0,0,0,0,0|2,0,1]=4 895 B11R0.147 CCCNC(=O)CCC[N+](=O)[O-] 240690a_100020643023_100016109205 [1,0,0,0,0,0|2,0,1]=4 896 B11R0.147 CCCNC(=O)CCC[N+](=O)[O-] 527a_100020643023_100016109205 [1,0,0,0,0,0|2,0,1]=4 897 B11R0.147 CCCNC(=O)CCNC(=O)C 11a_100020643023_100000183196 [1,0,0,0,0,0|3,0,0]=4 898 B11R0.147 CCCNC(=O)CCNC(=O)C 1626a_100020643023_100000183196 [1,0,0,0,0,0|3,0,0]=4 899 B11R0.147 CCCNC(=O)CCNC(=O)C 240690a_100020643023_100000183196 [1,0,0,0,0,0|3,0,0]=4 900 B11R0.147 CCCNC(=O)CCNC(=O)C 527a_100020643023_100000183196 [1,0,0,0,0,0|3,0,0]=4 901 B11R0.147 CCCNC(=O)CCNC(=O)N 240690a_100020643023_100000181464 [1,0,0,0,0,0|3,0,0]=4 902 B11R0.147 CCCNC(=O)CCNC(=O)N 527a_100020643023_100000181464 [1,0,0,0,0,0|3,0,0]=4 903 B11R0.147 CCCNC(=O)CCSC(=O)C 1626a_100020643023_100000048949 [1,0,0,0,0,0|3,0,0]=4 904 B11R0.147 CCCNC(=O)CCSC(=O)C 240690a_100020643023_100000048949 [1,0,0,0,0,0|3,0,0]=4 905 B11R0.147 CCCNC(=O)CNCC(=O)N 2230a_100000174927_100000747473 [1,0,0,0,0,0|3,0,0]=4 906 B11R0.147 CCCNC(=O)CNCC(=O)N 2230a_100000711301_100000183358 [1,0,0,0,0,0|3,0,0]=4 907 B11R0.147 CCCNC(=O)CNCC(=O)O 269956a_100016091260_100000183358 [1,0,0,0,0,0|2,0,0]=3 908 B11R0.147 CCCNC(=O)COCC(=O)C 34a_100000211253_100000183358 [1,0,0,0,0,0|3,0,0]=4 909 B11R0.147 CCCNC(=O)COCC(=O)N 1626a_100020643023_100011219004 [1,0,0,0,0,0|3,0,0]=4 910 B11R0.147 CCCNC(=O)COCC(=O)N 240690a_100020643023_100011219004 [1,0,0,0,0,0|3,0,0]=4 911 B11R0.147 CCCNC(=O)COCC(=O)N 527a_100020643023_100011219004 [1,0,0,0,0,0|3,0,0]=4 912 B11R0.147 CCCNC(=O)CSCC(=O)N 11a_100020643023_100000150265 [1,0,0,0,0,0|3,0,0]=4 913 B11R0.147 CCCNC(=O)CSCC(=O)N 240690a_100020643023_100000150265 [1,0,0,0,0,0|3,0,0]=4 914 B11R0.147 CCCNC(=O)CSCC(=O)N 527a_100020643023_100000150265 [1,0,0,0,0,0|3,0,0]=4 915 B11R0.147 CCCNC(=O)CSCC(=O)N 62a_100000183358_100000747473 [1,0,0,0,0,0|3,0,0]=4 916 B11R0.147 CCCNC(=O)CSCC(=O)N 62a_100000747473_100000183358 [1,0,0,0,0,0|3,0,0]=4 917 B11R0.147 CCCNC(=O)CSCC(=O)[O-] 62a_100000183358_100020667443 [1,0,0,0,0,0|2,0,1]=4 918 B11R0.147 CCCNC(=O)CSCC(=O)[O-] 62a_100020667443_100000183358 [1,0,0,0,0,0|2,0,1]=4 919 B11R0.147 CCCNC(=O)NCCC(=O)N 2708a_100020643023_100000740010 [1,0,0,0,0,0|3,0,0]=4 920 B11R0.147 CCCNC(=O)NCCC(=O)N 273464a_100000740010_100020643023 [1,0,0,0,0,0|3,0,0]=4 921 B11R0.147 CCCNC(=O)NCCC(=O)N 273464a_100020643023_100000740010 [1,0,0,0,0,0|3,0,0]=4 922 B11R0.147 CCCNC(=O)NCCC(=O)N 512a_100020643023_100000740010 [1,0,0,0,0,0|3,0,0]=4 923 B11R0.147 CCCOC(=O)CNCC(=O)N 2230a_100000711301_200011215008 [1,0,0,0,0,0|3,0,0]=4 924 B11R0.147 CCCOC(=O)CNCC(=O)O 269956a_100016091260_200011215008 [1,0,0,0,0,0|2,0,0]=3 925 B11R0.147 CCCOC(=O)COCC(=O)C 34a_100000211253_200011215008 [1,0,0,0,0,0|3,0,0]=4 926 B11R0.147 CCCOC(=O)CSCC(=O)N 62a_100000747473_200011215008 [1,0,0,0,0,0|3,0,0]=4 927 B11R0.147 CCCOC(=O)CSCC(=O)N 62a_200011215008_100000747473 [1,0,0,0,0,0|3,0,0]=4 928 B11R0.147 CCCOC(=O)CSCC(=O)[O-] 62a_100020667443_200011215008 [1,0,0,0,0,0|2,0,1]=4 929 B11R0.147 CCCOC(=O)CSCC(=O)[O-] 62a_200011215008_100020667443 [1,0,0,0,0,0|2,0,1]=4 930 B11R0.147 CCNCC(=O)NCCC(=O)N 2230a_200138414118_100000210202 [1,0,0,0,0,0|3,0,0]=4 931 B11R0.147 CCOCC(=O)CCCC(=O)C 1458a_100000211967_100011215641 [1,0,0,0,0,0|2,0,0]=3 932 B11R0.147 CCOCC(=O)CCCC(=O)N 1458a_100000211967_100102525003 [1,0,0,0,0,0|2,0,0]=3 933 B11R0.147 CCOCC(=O)CCCC(C)O 1458a_100000211967_200000718107 [1,0,0,0,0,0|2,0,1]=4 934 B11R0.147 CCOCC(=O)CCNC(=O)C 1458a_100000211967_100000189650 [1,0,0,0,0,0|3,0,0]=4 935 B11R0.147 CCOCC(=O)CCNC(=O)N 1458a_100000211967_200000034859 [1,0,0,0,0,0|3,0,0]=4 936 B11R0.147 CCOCC(=O)CCOC(=O)C 1458a_100000211967_100009814007 [1,0,0,0,0,0|3,0,0]=4 937 B11R0.147 CCOCC(=O)CCOC(=O)N 1458a_100000211967_200011214921 [1,0,0,0,0,0|3,0,0]=4 938 B11R0.147 CCOCC(=O)NCCC(=O)N 11a_100000740010_100000211967 [1,0,0,0,0,0|3,0,0]=4 939 B11R0.147 CCOCC(=O)NCCC(=O)N 240690a_100000740010_100000211967 [1,0,0,0,0,0|3,0,0]=4 940 B11R0.147 CCOCC(=O)NCCC(=O)N 527a_100000740010_100000211967 [1,0,0,0,0,0|3,0,0]=4 941 B11R0.147 CCOCN(C)CCCC(=O)O 269956a_100000719178_100000739092 [1,0,0,0,0,0|3,0,0]=4 942 B11R0.147 CCSCC(=O)CCCC(=O)C 1458a_100000230394_100011215641 [1,0,0,0,0,0|2,0,0]=3 943 B11R0.147 CCSCC(=O)CCCC(=O)N 1458a_100000230394_100102525003 [1,0,0,0,0,0|2,0,0]=3 944 B11R0.147 CCSCC(=O)CCCC(C)O 1458a_100000230394_200000718107 [1,0,0,0,0,0|2,0,1]=4 945 B11R0.147 CCSCC(=O)CCNC(=O)C 1458a_100000230394_100000189650 [1,0,0,0,0,0|3,0,0]=4 946 B11R0.147 CCSCC(=O)CCNC(=O)N 1458a_100000230394_200000034859 [1,0,0,0,0,0|3,0,0]=4 947 B11R0.147 CCSCC(=O)CCOC(=O)C 1458a_100000230394_100009814007 [1,0,0,0,0,0|3,0,0]=4 948 B11R0.147 CCSCC(=O)CCOC(=O)N 1458a_100000230394_200011214921 [1,0,0,0,0,0|3,0,0]=4 949 B11R0.147 CCSCC(=O)NCCC(=O)N 11a_100000740010_100000230394 [1,0,0,0,0,0|3,0,0]=4 950 B11R0.147 CCSCC(=O)NCCC(=O)N 240690a_100000740010_100000230394 [1,0,0,0,0,0|3,0,0]=4 951 B11R0.147 CCSCC(=O)NCCC(=O)N 527a_100000740010_100000230394 [1,0,0,0,0,0|3,0,0]=4 952 B11R0.147 CN(CCCF)CCCC(=O)O 269956a_100000719178_100011934791 [1,0,0,0,0,0|3,0,0]=4 953 B11R0.147 CN(CCCO)CCCC(=O)O 269956a_100000719178_100011215043 [1,0,0,0,0,0|3,0,0]=4 954 B11R0.147 COCCC(=O)CCCC(=O)C 1458a_100000749529_100011215641 [1,0,0,0,0,0|2,0,0]=3 955 B11R0.147 COCCC(=O)CCCC(=O)N 1458a_100000749529_100102525003 [1,0,0,0,0,0|2,0,0]=3 956 B11R0.147 COCCC(=O)CCCC(C)O 1458a_100000749529_200000718107 [1,0,0,0,0,0|2,0,1]=4 957 B11R0.147 COCCC(=O)CCC[N+](=O)[O-] 1458a_100016109205_100000233755 [1,0,0,0,0,0|2,0,1]=4 958 B11R0.147 COCCC(=O)CCNC(=O)C 1458a_100000183196_100000233755 [1,0,0,0,0,0|3,0,0]=4 959 B11R0.147 COCCC(=O)CCNC(=O)C 1458a_100000749529_100000189650 [1,0,0,0,0,0|3,0,0]=4 960 B11R0.147 COCCC(=O)CCNC(=O)N 1458a_100000181464_100000233755 [1,0,0,0,0,0|3,0,0]=4 961 B11R0.147 COCCC(=O)CCNC(=O)N 1458a_100000749529_200000034859 [1,0,0,0,0,0|3,0,0]=4 962 B11R0.147 COCCC(=O)CCOC(=O)C 1458a_100000749529_100009814007 [1,0,0,0,0,0|3,0,0]=4 963 B11R0.147 COCCC(=O)CCOC(=O)N 1458a_100000749529_200011214921 [1,0,0,0,0,0|3,0,0]=4 964 B11R0.147 COCCC(=O)CCSC(=O)C 1458a_100000048949_100000233755 [1,0,0,0,0,0|3,0,0]=4 965 B11R0.147 COCCC(=O)COCC(=O)N 1458a_100011219004_100000233755 [1,0,0,0,0,0|3,0,0]=4 966 B11R0.147 COCCC(=O)NCCC(=O)N 11a_100000740010_100000749529 [1,0,0,0,0,0|3,0,0]=4 967 B11R0.147 COCCC(=O)NCCC(=O)N 240690a_100000740010_100000749529 [1,0,0,0,0,0|3,0,0]=4 968 B11R0.147 COCCC(=O)NCCC(=O)N 527a_100000740010_100000749529 [1,0,0,0,0,0|3,0,0]=4 969 B11R0.147 COCCN(C)CCCC(=O)O 269956a_100000719178_100000233755 [1,0,0,0,0,0|3,0,0]=4 970 B11R0.147 CSCCC(=O)CCCC(=O)C 1458a_100000174002_100011215641 [1,0,0,0,0,0|2,0,0]=3 971 B11R0.147 CSCCC(=O)CCCC(=O)N 1458a_100000174002_100102525003 [1,0,0,0,0,0|2,0,0]=3 972 B11R0.147 CSCCC(=O)CCCC(C)O 1458a_100000174002_200000718107 [1,0,0,0,0,0|2,0,1]=4 973 B11R0.147 CSCCC(=O)CCC[N+](=O)[O-] 1458a_100016109205_100000751147 [1,0,0,0,0,0|2,0,1]=4 974 B11R0.147 CSCCC(=O)CCNC(=O)C 1458a_100000174002_100000189650 [1,0,0,0,0,0|3,0,0]=4 975 B11R0.147 CSCCC(=O)CCNC(=O)C 1458a_100000183196_100000751147 [1,0,0,0,0,0|3,0,0]=4 976 B11R0.147 CSCCC(=O)CCNC(=O)N 1458a_100000174002_200000034859 [1,0,0,0,0,0|3,0,0]=4 977 B11R0.147 CSCCC(=O)CCNC(=O)N 1458a_100000181464_100000751147 [1,0,0,0,0,0|3,0,0]=4 978 B11R0.147 CSCCC(=O)CCOC(=O)C 1458a_100000174002_100009814007 [1,0,0,0,0,0|3,0,0]=4 979 B11R0.147 CSCCC(=O)CCOC(=O)N 1458a_100000174002_200011214921 [1,0,0,0,0,0|3,0,0]=4 980 B11R0.147 CSCCC(=O)CCSC(=O)C 1458a_100000048949_100000751147 [1,0,0,0,0,0|3,0,0]=4 981 B11R0.147 CSCCC(=O)COCC(=O)N 1458a_100011219004_100000751147 [1,0,0,0,0,0|3,0,0]=4 982 B11R0.147 CSCCC(=O)NCCC(=O)N 11a_100000740010_100000174002 [1,0,0,0,0,0|3,0,0]=4 983 B11R0.147 CSCCC(=O)NCCC(=O)N 240690a_100000740010_100000174002 [1,0,0,0,0,0|3,0,0]=4 984 B11R0.147 CSCCC(=O)NCCC(=O)N 527a_100000740010_100000174002 [1,0,0,0,0,0|3,0,0]=4 985 B11R0.147 CSCCN(C)CCCC(=O)O 269956a_100000719178_100000212216 [1,0,0,0,0,0|3,0,0]=4 986 B11R0.147 N#CCCC(=O)CCCC(=O)N 1458a_100011934036_100102525003 [1,0,0,0,0,0|2,0,1]=4 987 B11R0.147 NC(=O)COCC(=O)CCCF 1458a_100011219004_100011934791 [1,0,0,0,0,0|3,0,0]=4 988 B11R0.147 NC(=O)COCC(=O)CCCO 1458a_100011219004_100011215043 [1,0,0,0,0,0|3,0,0]=4 989 B11R0.147 NC(=O)NCCC(=O)CCCF 1458a_100000181464_100011934791 [1,0,0,0,0,0|3,0,0]=4 990 B11R0.147 NC(=O)NCCC(=O)CCCO 1458a_100000181464_100011215043 [1,0,0,0,0,0|3,0,0]=4 991 B11R0.147 O=C(CCCF)CCC[N+](=O)[O-] 1458a_100016109205_100011934791 [1,0,0,0,0,0|2,0,1]=4 992 B11R0.147 O=C(CCCO)CCC[N+](=O)[O-] 1458a_100016109205_100011215043 [1,0,0,0,0,0|2,0,1]=4 993 B11R0.148 CC(=O)CCCCCCCCO 1458a_100000070787_100000033203 [1,0,0,0,0,0|2,0,1]=4 994 B11R0.148 CC(=O)CCCNCCCCO 34a_100000750430_100000685027 [1,0,0,0,0,0|3,0,0]=4 995 B11R0.148 CC(=O)CCCOCCCCBr 34a_100011216708_100000685027 [1,0,0,0,0,0|3,0,0]=4 996 B11R0.148 CC(=O)CCCOCCCCCl 34a_100000210776_100000685027 [1,0,0,0,0,0|3,0,0]=4 997 B11R0.148 CC(=O)CCCOCCCCCl 7a_100000210776_100011215641 [1,0,0,0,0,0|3,0,0]=4 998 B11R0.148 CC(=O)CCCOCCCCF 34a_100000759063_100000729493 [1,0,0,0,0,0|3,0,0]=4 999 B11R0.148 CC(=O)CCCOCCCCF 34a_100011995726_100000685027 [1,0,0,0,0,0|3,0,0]=4 1000 B11R0.148 CC(=O)CCCOCCCCF 7a_100000759063_100000729493 [1,0,0,0,0,0|3,0,0]=4 1001 B11R0.148 CC(=O)CCCOCCCCF 7a_100011995726_100011215641 [1,0,0,0,0,0|3,0,0]=4 1002 B11R0.148 CC(=O)CCCOCCCCI 34a_200012148704_100000685027 [1,0,0,0,0,0|3,0,0]=4 1003 B11R0.148 CC(=O)CCCOCCCCN 34a_100000750430_100000685027 [1,0,0,0,0,0|3,0,0]=4 1004 B11R0.148 CC(=O)CCCOCCCCO 34a_100000759063_100011216708 [1,0,0,0,0,0|3,0,0]=4 1005 B11R0.148 CC(=O)CCCOCCCCO 7a_100000759063_100000210776 [1,0,0,0,0,0|3,0,0]=4 1006 B11R0.148 CC(=O)CCCSCCCCF 62a_100000729493_100011215641 [1,0,0,0,0,0|3,0,0]=4 1007 B11R0.148 CC(=O)CCCSCCCCF 62a_100011215641_100000729493 [1,0,0,0,0,0|3,0,0]=4 1008 B11R0.148 CC(=O)CCCSCCCCO 62a_100000210776_100011215641 [1,0,0,0,0,0|3,0,0]=4 1009 B11R0.148 CC(=O)CCCSCCCCO 62a_100011215641_100000210776 [1,0,0,0,0,0|3,0,0]=4 1010 B11R0.148 CCCC/C=C/COCC(=O)N 34a_200016272032_100000187820 [1,0,0,0,0,0|2,0,1]=4 1011 B11R0.148 CCCC/C=C/COCC(=O)N 7a_200016272032_100000187820 [1,0,0,0,0,0|2,0,1]=4 1012 B11R0.148 CCCC/C=C/COCC(=O)[O-] 34a_200016272032_100020667443 [1,0,0,0,0,0|1,0,2]=4 1013 B11R0.148 CCCCC#CCCCC(=O)C 1458a_100000070787_200000047210 [1,0,0,0,0,0|1,0,2]=4 1014 B11R0.148 CCCCC/C=C/CCC(=O)C 1458a_200015255902_200000210301 [1,0,0,0,0,0|1,0,1]=3 1015 B11R0.148 CCCCC/C=C/CCC(=O)[13CH3] 1458a_200015255902_200025704644 [1,0,0,0,0,0|1,0,1]=3 1016 B11R0.148 CCCCCCCCCC(=O)C 1458a_100000070787_100000210670 [1,0,0,0,0,0|1,0,1]=3 1017 B11R0.148 CCCCCCCCCC(=O)C 1458a_100000210558_200000210301 [1,0,0,0,0,0|1,0,1]=3 1018 B11R0.148 CCCCCCCCCC(=O)[13CH3] 1458a_100000210558_200025704644 [1,0,0,0,0,0|1,0,1]=3 1019 B11R0.148 CCCCCCCCNC(=O)C 11a_100000229939_100015343762 [1,0,0,0,0,0|2,0,1]=4 1020 B11R0.148 CCCCCCCCNC(=O)C 1626a_100000229939_100015343762 [1,0,0,0,0,0|2,0,1]=4 1021 B11R0.148 CCCCCCCCNC(=O)C 240690a_100000229939_100015343762 [1,0,0,0,0,0|2,0,1]=4 1022 B11R0.148 CCCCCCCCNC(=O)C 527a_100000229939_100103153847 [1,0,0,0,0,0|2,0,1]=4 1023 B11R0.148 CCCCCCCNCC(=O)N 2230a_100000229938_100000747473 [1,0,0,0,0,0|2,0,1]=4 1024 B11R0.148 CCCCCCCNCC(=O)N 2230a_100000711301_100000210681 [1,0,0,0,0,0|2,0,1]=4 1025 B11R0.148 CCCCCCCNCC(=O)O 269956a_100016091260_100000210614 [1,0,0,0,0,0|1,0,1]=3 1026 B11R0.148 CCCCCCCOCC(=O)C 34a_100000211253_100000210614 [1,0,0,0,0,0|2,0,1]=4 1027 B11R0.148 CCCCCCCOCC(=O)N 34a_100000210272_100000187820 [1,0,0,0,0,0|2,0,1]=4 1028 B11R0.148 CCCCCCCOCC(=O)N 7a_100000210272_100000187820 [1,0,0,0,0,0|2,0,1]=4 1029 B11R0.148 CCCCCCCOCC(=O)[O-] 34a_100000210272_100020667443 [1,0,0,0,0,0|1,0,2]=4 1030 B11R0.148 CCCCCCCSCC(=O)N 62a_100000210614_100000747473 [1,0,0,0,0,0|2,0,1]=4 1031 B11R0.148 CCCCCCCSCC(=O)N 62a_100000747473_100000210316 [1,0,0,0,0,0|2,0,1]=4 1032 B11R0.148 CCCCCCCSCC(=O)[O-] 62a_100000210614_100020667443 [1,0,0,0,0,0|1,0,2]=4 1033 B11R0.148 CCCCCCCSCC(=O)[O-] 62a_100020667443_100000210316 [1,0,0,0,0,0|1,0,2]=4 1034 B11R0.148 CCCCCCNCCC(=O)N 2230a_100000210581_100000744528 [1,0,0,0,0,0|2,0,1]=4 1035 B11R0.148 CCCCCCNOCC(=O)O 269956a_100000106656_100000210757 [1,0,0,0,0,0|2,0,1]=4 1036 B11R0.148 CCCCCCOCCC(=O)C 34a_100000759926_100000210314 [1,0,0,0,0,0|2,0,1]=4 1037 B11R0.148 CCCCCCOCCC(=O)C 7a_100000210259_100000053229 [1,0,0,0,0,0|2,0,1]=4 1038 B11R0.148 CCCCCCOCCC(=O)C 7a_100000759926_100000210314 [1,0,0,0,0,0|2,0,1]=4 1039 B11R0.148 CCCCCCOCCC(=O)N 34a_100000210259_100000731001 [1,0,0,0,0,0|2,0,1]=4 1040 B11R0.148 CCCCCCOCCC(=O)N 34a_100000757172_100000210314 [1,0,0,0,0,0|2,0,1]=4 1041 B11R0.148 CCCCCCOCCC(=O)N 7a_100000210259_100000744528 [1,0,0,0,0,0|2,0,1]=4 1042 B11R0.148 CCCCCCOCCC(=O)N 7a_100000757172_100000210314 [1,0,0,0,0,0|2,0,1]=4 1043 B11R0.148 CCCCCCSCCC(=O)C 62a_100000053229_100000210757 [1,0,0,0,0,0|2,0,1]=4 1044 B11R0.148 CCCCCCSCCC(=O)C 62a_100000210314_100000053229 [1,0,0,0,0,0|2,0,1]=4 1045 B11R0.148 CCCCCCSCCC(=O)N 62a_100000210314_100000744528 [1,0,0,0,0,0|2,0,1]=4 1046 B11R0.148 CCCCCCSCCC(=O)N 62a_100000744528_100000210757 [1,0,0,0,0,0|2,0,1]=4 1047 B11R0.148 CCCCCNCCCC(=O)N 34a_100000739312_100000718602 [1,0,0,0,0,0|2,0,0]=3 1048 B11R0.148 CCCCCNCCCC(C)O 2230a_100000209983_200000718107 [1,0,0,0,0,0|2,0,1]=4 1049 B11R0.148 CCCCCNCCCS(=O)C 2230a_200000753449_100000210326 [1,0,0,0,0,0|3,0,0]=4 1050 B11R0.148 CCCCCNCCNC(=O)C 2230a_100000209853_100000210326 [1,0,0,0,0,0|3,0,0]=4 1051 B11R0.148 CCCCCNCCNC(=O)C 2230a_100000209983_100000189650 [1,0,0,0,0,0|3,0,0]=4 1052 B11R0.148 CCCCCNCCNC(=O)N 2230a_100000209983_200000034859 [1,0,0,0,0,0|3,0,0]=4 1053 B11R0.148 CCCCCNCCNC(=O)N 34a_100020590234_100000718602 [1,0,0,0,0,0|3,0,0]=4 1054 B11R0.148 CCCCCOCCCC(=O)C 34a_100000210253_100000685027 [1,0,0,0,0,0|2,0,0]=3 1055 B11R0.148 CCCCCOCCCC(=O)C 34a_100000759063_100000718602 [1,0,0,0,0,0|2,0,0]=3 1056 B11R0.148 CCCCCOCCCC(=O)C 7a_100000210253_100011215641 [1,0,0,0,0,0|2,0,0]=3 1057 B11R0.148 CCCCCOCCCC(=O)C 7a_100000759063_100000210326 [1,0,0,0,0,0|2,0,0]=3 1058 B11R0.148 CCCCCOCCCC(=O)N 34a_100000210253_100102525003 [1,0,0,0,0,0|2,0,0]=3 1059 B11R0.148 CCCCCOCCCC(=O)N 7a_100000210253_100102525003 [1,0,0,0,0,0|2,0,0]=3 1060 B11R0.148 CCCCCOCCCC(C)O 34a_100000210253_200000718107 [1,0,0,0,0,0|2,0,1]=4 1061 B11R0.148 CCCCCOCCCC(C)O 7a_100000210253_200000718107 [1,0,0,0,0,0|2,0,1]=4 1062 B11R0.148 CCCCCOCCC[N+](=O)[O-] 34a_200000037920_100000718602 [1,0,0,0,0,0|2,0,1]=4 1063 B11R0.148 CCCCCOCCNC(=O)C 34a_100000158858_100000718602 [1,0,0,0,0,0|3,0,0]=4 1064 B11R0.148 CCCCCOCCNC(=O)C 7a_100000210253_100000189650 [1,0,0,0,0,0|3,0,0]=4 1065 B11R0.148 CCCCCOCCNC(=O)N 34a_100000181757_100000718602 [1,0,0,0,0,0|3,0,0]=4 1066 B11R0.148 CCCCCOCCNC(=O)N 7a_100000210253_200000034859 [1,0,0,0,0,0|3,0,0]=4 1067 B11R0.148 CCCCCOCCOC(=O)C 34a_100000210253_100009814007 [1,0,0,0,0,0|3,0,0]=4 1068 B11R0.148 CCCCCOCCOC(=O)C 7a_100000210253_100009814007 [1,0,0,0,0,0|3,0,0]=4 1069 B11R0.148 CCCCCOCCOC(=O)N 34a_100000210253_200011214921 [1,0,0,0,0,0|3,0,0]=4 1070 B11R0.148 CCCCCOCCOC(=O)N 7a_100000210253_200011214921 [1,0,0,0,0,0|3,0,0]=4 1071 B11R0.148 CCCCCOCCOC(=O)N 7a_100000766696_100000210326 [1,0,0,0,0,0|3,0,0]=4 1072 B11R0.148 CCCCCSCCCC(=O)C 62a_100000210326_100011215641 [1,0,0,0,0,0|2,0,0]=3 1073 B11R0.148 CCCCCSCCCC(=O)C 62a_100011215641_100000210326 [1,0,0,0,0,0|2,0,0]=3 1074 B11R0.148 CCCCCSCCCC(=O)N 62a_100000210326_100102525003 [1,0,0,0,0,0|2,0,0]=3 1075 B11R0.148 CCCCCSCCCC(=O)N 62a_100102525003_100000210326 [1,0,0,0,0,0|2,0,0]=3 1076 B11R0.148 CCCCCSCCCC(C)O 62a_100000210326_200000718107 [1,0,0,0,0,0|2,0,1]=4 1077 B11R0.148 CCCCCSCCCC(C)O 62a_200000718107_100000210326 [1,0,0,0,0,0|2,0,1]=4 1078 B11R0.148 CCCCCSCCNC(=O)C 62a_100000189650_100000210326 [1,0,0,0,0,0|3,0,0]=4 1079 B11R0.148 CCCCCSCCNC(=O)C 62a_100000210326_100000189650 [1,0,0,0,0,0|3,0,0]=4 1080 B11R0.148 CCCCCSCCNC(=O)N 62a_100000210326_200000034859 [1,0,0,0,0,0|3,0,0]=4 1081 B11R0.148 CCCCCSCCNC(=O)N 62a_200000034859_100000210326 [1,0,0,0,0,0|3,0,0]=4 1082 B11R0.148 CCCCCSCCOC(=O)C 62a_100000210326_100009814007 [1,0,0,0,0,0|3,0,0]=4 1083 B11R0.148 CCCCCSCCOC(=O)C 62a_100009814007_100000210326 [1,0,0,0,0,0|3,0,0]=4 1084 B11R0.148 CCCCCSCCOC(=O)N 62a_100000210326_200011214921 [1,0,0,0,0,0|3,0,0]=4 1085 B11R0.148 CCCCCSCCOC(=O)N 62a_200011214921_100000210326 [1,0,0,0,0,0|3,0,0]=4 1086 B11R0.148 CCCCNCCCCC(=O)C 7a_106832991798_100000735457 [1,0,0,0,0,0|2,0,1]=4 1087 B11R0.148 CCCCNCCCCC(=O)N 34a_100000696515_100000210210 [1,0,0,0,0,0|2,0,1]=4 1088 B11R0.148 CCCCNCCOCC(=O)O 269956a_100000700818_100000210211 [1,0,0,0,0,0|2,0,1]=4 1089 B11R0.148 CCCCOCCCCC(=O)C 34a_100000210227_100009817362 [1,0,0,0,0,0|2,0,1]=4 1090 B11R0.148 CCCCOCCCCC(=O)C 7a_100000210227_100000735457 [1,0,0,0,0,0|2,0,1]=4 1091 B11R0.148 CCCCOCCCCC(=O)N 34a_100012022536_100000210210 [1,0,0,0,0,0|2,0,1]=4 1092 B11R0.148 CCCCOCCCCC(=O)N 7a_100012022536_100000210211 [1,0,0,0,0,0|2,0,1]=4 1093 B11R0.148 CCCCOCCNCC(=O)O 269956a_100016091260_100000743108 [1,0,0,0,0,0|2,0,1]=4 1094 B11R0.148 CCCCSCCCCC(=O)C 62a_100000210211_100000735457 [1,0,0,0,0,0|2,0,1]=4 1095 B11R0.148 CCCCSCCCCC(=O)C 62a_100000735457_100000210210 [1,0,0,0,0,0|2,0,1]=4 1096 B11R0.148 CCCOCCCCCC(=O)N 34a_100000123541_100000210303 [1,0,0,0,0,0|2,0,1]=4 1097 B11R0.148 CCCOCCCCCC(=O)N 34a_100000210258_100009817443 [1,0,0,0,0,0|2,0,1]=4 1098 B11R0.148 CCCOCCCCCC(=O)N 7a_100000123541_100000210303 [1,0,0,0,0,0|2,0,1]=4 1099 B11R0.148 CCCOCCCCCC(=O)[O-] 7a_100102619762_100000210303 [1,0,0,0,0,0|1,0,2]=4 1100 B11R0.148 CCCSCCCCCC(=O)N 62a_100000210303_100009817443 [1,0,0,0,0,0|2,0,1]=4 1101 B11R0.148 CCCSCCCCCC(=O)N 62a_100009817443_100000210303 [1,0,0,0,0,0|2,0,1]=4 1102 B11R0.148 CCOCCNCCCC(=O)C 34a_102516460346_100000685027 [1,0,0,0,0,0|3,0,0]=4 1103 B11R0.148 CCOCCNCCCC(=O)N 34a_100000739312_100000210147 [1,0,0,0,0,0|3,0,0]=4 1104 B11R0.148 CCOCCNCCCC(=O)N 34a_102516460346_100102525003 [1,0,0,0,0,0|3,0,0]=4 1105 B11R0.148 CCOCCOCCCC(=O)C 34a_100000210136_100000685027 [1,0,0,0,0,0|3,0,0]=4 1106 B11R0.148 CCOCCOCCCC(=O)C 34a_100000759063_100000210147 [1,0,0,0,0,0|3,0,0]=4 1107 B11R0.148 CCOCCOCCCC(=O)C 7a_100000210136_100011215641 [1,0,0,0,0,0|3,0,0]=4 1108 B11R0.148 CCOCCOCCCC(=O)C 7a_100000759063_100011215890 [1,0,0,0,0,0|3,0,0]=4 1109 B11R0.148 CCOCCOCCCC(=O)N 34a_100000210136_100102525003 [1,0,0,0,0,0|3,0,0]=4 1110 B11R0.148 CCOCCOCCCC(=O)N 7a_100000210136_100102525003 [1,0,0,0,0,0|3,0,0]=4 1111 B11R0.148 CCOCCSCCCC(=O)C 62a_100000210147_100011215641 [1,0,0,0,0,0|3,0,0]=4 1112 B11R0.148 CCOCCSCCCC(=O)C 62a_100011215641_100011215890 [1,0,0,0,0,0|3,0,0]=4 1113 B11R0.148 CCOCCSCCCC(=O)N 62a_100000210147_100102525003 [1,0,0,0,0,0|3,0,0]=4 1114 B11R0.148 CCOCCSCCCC(=O)N 62a_100102525003_100011215890 [1,0,0,0,0,0|3,0,0]=4 1115 B11R0.148 CCSCCNCCCC(=O)N 34a_100000739312_100000757381 [1,0,0,0,0,0|3,0,0]=4 1116 B11R0.148 CCSCCOCCCC(=O)C 34a_100000212035_100000685027 [1,0,0,0,0,0|3,0,0]=4 1117 B11R0.148 CCSCCOCCCC(=O)C 34a_100000759063_100000757381 [1,0,0,0,0,0|3,0,0]=4 1118 B11R0.148 CCSCCOCCCC(=O)C 7a_100000212035_100011215641 [1,0,0,0,0,0|3,0,0]=4 1119 B11R0.148 CCSCCOCCCC(=O)C 7a_100000759063_100000757381 [1,0,0,0,0,0|3,0,0]=4 1120 B11R0.148 CCSCCOCCCC(=O)N 34a_100000212035_100102525003 [1,0,0,0,0,0|3,0,0]=4 1121 B11R0.148 CCSCCOCCCC(=O)N 7a_100000212035_100102525003 [1,0,0,0,0,0|3,0,0]=4 1122 B11R0.148 CCSCCSCCCC(=O)C 62a_100000757381_100011215641 [1,0,0,0,0,0|3,0,0]=4 1123 B11R0.148 CCSCCSCCCC(=O)C 62a_100011215641_100000757381 [1,0,0,0,0,0|3,0,0]=4 1124 B11R0.148 CCSCCSCCCC(=O)N 62a_100000757381_100102525003 [1,0,0,0,0,0|3,0,0]=4 1125 B11R0.148 CCSCCSCCCC(=O)N 62a_100102525003_100000757381 [1,0,0,0,0,0|3,0,0]=4 1126 B11R0.148 CNCCCOCCCC(=O)C 34a_100000213112_100000685027 [1,0,0,0,0,0|3,0,0]=4 1127 B11R0.148 CNCCCOCCCC(=O)N 34a_100000213112_100102525003 [1,0,0,0,0,0|3,0,0]=4 1128 B11R0.148 COCCCNCCCC(=O)C 34a_100150723488_100000685027 [1,0,0,0,0,0|3,0,0]=4 1129 B11R0.148 COCCCNCCCC(=O)N 34a_100000739312_100000740836 [1,0,0,0,0,0|3,0,0]=4 1130 B11R0.148 COCCCNCCCC(=O)N 34a_100150723488_100102525003 [1,0,0,0,0,0|3,0,0]=4 1131 B11R0.148 COCCCOCCCC(=O)C 34a_100000740835_100000685027 [1,0,0,0,0,0|3,0,0]=4 1132 B11R0.148 COCCCOCCCC(=O)C 34a_100000759063_100000740836 [1,0,0,0,0,0|3,0,0]=4 1133 B11R0.148 COCCCOCCCC(=O)C 7a_100000759063_100000740836 [1,0,0,0,0,0|3,0,0]=4 1134 B11R0.148 COCCCOCCCC(=O)N 34a_100000740835_100102525003 [1,0,0,0,0,0|3,0,0]=4 1135 B11R0.148 COCCCSCCCC(=O)C 62a_100000709357_100011215641 [1,0,0,0,0,0|3,0,0]=4 1136 B11R0.148 COCCCSCCCC(=O)C 62a_100011215641_100000709357 [1,0,0,0,0,0|3,0,0]=4 1137 B11R0.148 COCCCSCCCC(=O)N 62a_100000709357_100102525003 [1,0,0,0,0,0|3,0,0]=4 1138 B11R0.148 COCCCSCCCC(=O)N 62a_100102525003_100000709357 [1,0,0,0,0,0|3,0,0]=4 1139 B11R0.148 CSCCCOCCCC(=O)C 34a_100000690336_100000685027 [1,0,0,0,0,0|3,0,0]=4 1140 B11R0.148 CSCCCOCCCC(=O)C 7a_100000690336_100011215641 [1,0,0,0,0,0|3,0,0]=4 1141 B11R0.148 CSCCCOCCCC(=O)N 34a_100000690336_100102525003 [1,0,0,0,0,0|3,0,0]=4 1142 B11R0.148 CSCCCOCCCC(=O)N 7a_100000690336_100102525003 [1,0,0,0,0,0|3,0,0]=4 1143 B11R0.148 NC(=O)CCCNCCCCF 34a_100000739312_100000729493 [1,0,0,0,0,0|3,0,0]=4 1144 B11R0.148 NC(=O)CCCNCCCCO 34a_100000739312_100011216708 [1,0,0,0,0,0|3,0,0]=4 1145 B11R0.148 NC(=O)CCCNCCCCO 34a_100000750430_100102525003 [1,0,0,0,0,0|3,0,0]=4 1146 B11R0.148 NC(=O)CCCOCCCCBr 34a_100011216708_100102525003 [1,0,0,0,0,0|3,0,0]=4 1147 B11R0.148 NC(=O)CCCOCCCCCl 34a_100000210776_100102525003 [1,0,0,0,0,0|3,0,0]=4 1148 B11R0.148 NC(=O)CCCOCCCCCl 7a_100000210776_100102525003 [1,0,0,0,0,0|3,0,0]=4 1149 B11R0.148 NC(=O)CCCOCCCCF 34a_100011995726_100102525003 [1,0,0,0,0,0|3,0,0]=4 1150 B11R0.148 NC(=O)CCCOCCCCF 7a_100011995726_100102525003 [1,0,0,0,0,0|3,0,0]=4 1151 B11R0.148 NC(=O)CCCOCCCCI 34a_200012148704_100102525003 [1,0,0,0,0,0|3,0,0]=4 1152 B11R0.148 NC(=O)CCCSCCCCF 62a_100000729493_100102525003 [1,0,0,0,0,0|3,0,0]=4 1153 B11R0.148 NC(=O)CCCSCCCCF 62a_100102525003_100000729493 [1,0,0,0,0,0|3,0,0]=4 1154 B11R0.148 NC(=O)CCCSCCCCO 62a_100000210776_100102525003 [1,0,0,0,0,0|3,0,0]=4 1155 B11R0.148 NC(=O)CCCSCCCCO 62a_100102525003_100000210776 [1,0,0,0,0,0|3,0,0]=4 1156 B11R0.148 NCCCCOCCCC(=O)N 34a_100000750430_100102525003 [1,0,0,0,0,0|3,0,0]=4 1157 B11R0.148 O=C(O)CNCCCCCCF 269956a_100016091260_100015922095 [1,0,0,0,0,0|2,0,1]=4 1158 B11R0.148 O=C(O)CNCCCCCCO 269956a_100016091260_100000766143 [1,0,0,0,0,0|2,0,1]=4 1159 B13R0.1 C#CCCCCC(=O)CCCC(=O)C 1458a_100000696528_100011215641 [0,1,0,0,0,0|1,0,1]=3 1160 B13R0.1 C#CCCCCC(=O)CCCC(=O)N 1458a_100000696528_100102525003 [0,1,0,0,0,0|1,0,1]=3 1161 B13R0.1 C#CCCCCC(=O)CCCC(C)O 1458a_100000696528_200000718107 [0,1,0,0,0,0|1,0,2]=4 1162 B13R0.1 C#CCCCCC(=O)CCC[N+](=O)[O-] 1458a_100016109205_100010269958 [0,1,0,0,0,0|1,0,2]=4 1163 B13R0.1 C#CCCCCC(=O)CCNC(=O)C 1458a_100000183196_100010269958 [0,1,0,0,0,0|2,0,1]=4 1164 B13R0.1 C#CCCCCC(=O)CCNC(=O)C 1458a_100000696528_100000189650 [0,1,0,0,0,0|2,0,1]=4 1165 B13R0.1 C#CCCCCC(=O)CCNC(=O)N 1458a_100000181464_100010269958 [0,1,0,0,0,0|2,0,1]=4 1166 B13R0.1 C#CCCCCC(=O)CCNC(=O)N 1458a_100000696528_200000034859 [0,1,0,0,0,0|2,0,1]=4 1167 B13R0.1 C#CCCCCC(=O)CCOC(=O)C 1458a_100000696528_100009814007 [0,1,0,0,0,0|2,0,1]=4 1168 B13R0.1 C#CCCCCC(=O)CCOC(=O)N 1458a_100000696528_200011214921 [0,1,0,0,0,0|2,0,1]=4 1169 B13R0.1 C#CCCCCC(=O)CCSC(=O)C 1458a_100000048949_100010269958 [0,1,0,0,0,0|2,0,1]=4 1170 B13R0.1 C#CCCCCC(=O)COCC(=O)N 1458a_100011219004_100010269958 [0,1,0,0,0,0|2,0,1]=4 1171 B13R0.1 C#CCCCCC(=O)NCCC(=O)N 11a_100000740010_100000696528 [0,1,0,0,0,0|2,0,1]=4 1172 B13R0.1 C#CCCCCC(=O)NCCC(=O)N 240690a_100000740010_100000696528 [0,1,0,0,0,0|2,0,1]=4 1173 B13R0.1 C#CCCCCC(=O)NCCC(=O)N 527a_100000740010_100000696528 [0,1,0,0,0,0|2,0,1]=4 1174 B13R0.1 C#CCCCCN(C)CCCC(=O)O 269956a_100000719178_100010269958 [0,1,0,0,0,0|2,0,1]=4 1175 B13R0.1 C#CCOCCC(=O)CCCC(=O)C 1458a_100000693358_100011215641 [0,1,0,0,0,0|1,0,2]=4 1176 B13R0.1 C#CCOCCC(=O)CCCC(=O)N 1458a_100000693358_100102525003 [0,1,0,0,0,0|1,0,2]=4 1177 B13R0.1 C=C(C)COCC(=O)NCCCCC 34a_100000210245_100000230301 [0,1,0,0,0,0|3,0,0]=4 1178 B13R0.1 C=C(C)CSCC(=O)NCCCCC 62a_100000230301_100000211660 [0,1,0,0,0,0|3,0,0]=4 1179 B13R0.1 C=C(C)CSCC(=O)NCCCCC 62a_100000748629_100000230301 [0,1,0,0,0,0|3,0,0]=4 1180 B13R0.1 C=C(F)COCC(=O)NCCCCC 34a_200010262243_100000230301 [0,1,0,0,0,0|3,0,0]=4 1181 B13R0.1 C=C(F)CSCC(=O)NCCCCC 62a_100000042424_100000230301 [0,1,0,0,0,0|3,0,0]=4 1182 B13R0.1 C=C(F)CSCC(=O)NCCCCC 62a_100000230301_100000042424 [0,1,0,0,0,0|3,0,0]=4 1183 B13R0.1 C=CCCCCC(=O)CCCC(=O)C 1458a_100011215552_100011215641 [0,1,0,0,0,0|1,0,1]=3 1184 B13R0.1 C=CCCCCC(=O)CCCC(=O)N 1458a_100011215552_100102525003 [0,1,0,0,0,0|1,0,1]=3 1185 B13R0.1 C=CCCCCC(=O)CCCC(C)O 1458a_100011215552_200000718107 [0,1,0,0,0,0|1,0,2]=4 1186 B13R0.1 C=CCCCCC(=O)CCC[N+](=O)[O-] 1458a_100016109205_100011215482 [0,1,0,0,0,0|1,0,2]=4 1187 B13R0.1 C=CCCCCC(=O)CCNC(=O)C 1458a_100000183196_100011215482 [0,1,0,0,0,0|2,0,1]=4 1188 B13R0.1 C=CCCCCC(=O)CCNC(=O)C 1458a_100011215552_100000189650 [0,1,0,0,0,0|2,0,1]=4 1189 B13R0.1 C=CCCCCC(=O)CCNC(=O)N 1458a_100000181464_100011215482 [0,1,0,0,0,0|2,0,1]=4 1190 B13R0.1 C=CCCCCC(=O)CCNC(=O)N 1458a_100011215552_200000034859 [0,1,0,0,0,0|2,0,1]=4 1191 B13R0.1 C=CCCCCC(=O)CCOC(=O)C 1458a_100011215552_100009814007 [0,1,0,0,0,0|2,0,1]=4 1192 B13R0.1 C=CCCCCC(=O)CCOC(=O)N 1458a_100011215552_200011214921 [0,1,0,0,0,0|2,0,1]=4 1193 B13R0.1 C=CCCCCC(=O)CCSC(=O)C 1458a_100000048949_100011215482 [0,1,0,0,0,0|2,0,1]=4 1194 B13R0.1 C=CCCCCC(=O)COCC(=O)N 1458a_100011219004_100011215482 [0,1,0,0,0,0|2,0,1]=4 1195 B13R0.1 C=CCCCCC(=O)NCCC(=O)N 11a_100000740010_100011215552 [0,1,0,0,0,0|2,0,1]=4 1196 B13R0.1 C=CCCCCC(=O)NCCC(=O)N 240690a_100000740010_100011215552 [0,1,0,0,0,0|2,0,1]=4 1197 B13R0.1 C=CCCCCC(=O)NCCC(=O)N 527a_100000740010_100011215552 [0,1,0,0,0,0|2,0,1]=4 1198 B13R0.1 C=CCCCCN(C)CCCC(=O)O 269956a_100000719178_100011215482 [0,1,0,0,0,0|2,0,1]=4 1199 B13R0.1 C=CCOCCC(=O)CCCC(=O)C 1458a_200011217002_100011215641 [0,1,0,0,0,0|1,0,2]=4 1200 B13R0.1 C=CCOCCC(=O)CCCC(=O)N 1458a_200011217002_100102525003 [0,1,0,0,0,0|1,0,2]=4 1201 B13R0.1 CC(=CCCC(=O)CCCCCO)C 1458a_100102619762_100011217483 [0,1,0,0,0,0|2,0,1]=4 1202 B13R0.1 CC(=O)CCCC(=O)CCCCCO 1458a_100102619762_100011215641 [0,1,0,0,0,0|1,0,0]=2 1203 B13R0.1 CC(=O)CCCC(=O)CCCN=[N+]=[N-] 1458a_100010262590_100011215641 [0,1,0,0,0,0|3,0,0]=4 1204 B13R0.1 CC(=O)CCCC(=O)CCOCCO 1458a_100011229844_100011215641 [0,1,0,0,0,0|2,0,0]=3 1205 B13R0.1 CC(=O)CCCN(C)CCCCCO 269982a_100000722520_100011215641 [0,1,0,0,0,0|3,0,0]=4 1206 B13R0.1 CC(=O)NCCC(=O)CCCCC#N 1458a_100000183196_100000211819 [0,1,0,0,0,0|2,0,1]=4 1207 B13R0.1 CC(=O)NCCC(=O)CCCCCF 1458a_100000183196_100000729378 [0,1,0,0,0,0|2,0,0]=3 1208 B13R0.1 CC(=O)NCCC(=O)CCCCCO 1458a_100000183196_100000746330 [0,1,0,0,0,0|2,0,0]=3 1209 B13R0.1 CC(=O)NCCC(=O)CCCCCO 1458a_100102619762_100000189650 [0,1,0,0,0,0|2,0,0]=3 1210 B13R0.1 CC(=O)NCCC(=O)CCOCCO 1458a_100000183196_100011215305 [0,1,0,0,0,0|3,0,0]=4 1211 B13R0.1 CC(=O)NCCC(=O)CCOCCO 1458a_100011229844_100000189650 [0,1,0,0,0,0|3,0,0]=4 1212 B13R0.1 CC(=O)NCCC(=O)NCCCCO 240690a_100000750430_100000183196 [0,1,0,0,0,0|3,0,0]=4 1213 B13R0.1 CC(=O)NCCC(=O)NCCCCO 527a_100000750430_100000183196 [0,1,0,0,0,0|3,0,0]=4 1214 B13R0.1 CC(=O)OCCC(=O)CCCCCO 1458a_100102619762_100009814007 [0,1,0,0,0,0|2,0,0]=3 1215 B13R0.1 CC(=O)OCCC(=O)CCOCCO 1458a_100011229844_100009814007 [0,1,0,0,0,0|3,0,0]=4 1216 B13R0.1 CC(=O)SCCC(=O)CCCCC#N 1458a_100000048949_100000211819 [0,1,0,0,0,0|2,0,1]=4 1217 B13R0.1 CC(=O)SCCC(=O)CCCCCF 1458a_100000048949_100000729378 [0,1,0,0,0,0|2,0,0]=3 1218 B13R0.1 CC(=O)SCCC(=O)CCCCCO 1458a_100000048949_100000746330 [0,1,0,0,0,0|2,0,0]=3 1219 B13R0.1 CC(=O)SCCC(=O)CCOCCO 1458a_100000048949_100011215305 [0,1,0,0,0,0|3,0,0]=4 1220 B13R0.1 CC(=O)SCCC(=O)NCCCCO 240690a_100000750430_100000048949 [0,1,0,0,0,0|3,0,0]=4 1221 B13R0.1 CC(C)CCCC(=O)CCCCCF 1458a_100011216857_100000729378 [0,1,0,0,0,0|2,0,1]=4 1222 B13R0.1 CC(C)CCCC(=O)CCCCCO 1458a_100011216857_100000746330 [0,1,0,0,0,0|2,0,1]=4 1223 B13R0.1 CC(C)CCCC(=O)CCCCCO 1458a_100102619762_100011214892 [0,1,0,0,0,0|2,0,1]=4 1224 B13R0.1 CC(O)CCCC(=O)CCCCCO 1458a_100102619762_200000718107 [0,1,0,0,0,0|1,0,1]=3 1225 B13R0.1 CC(O)CCCC(=O)CCOCCO 1458a_100011229844_200000718107 [0,1,0,0,0,0|2,0,1]=4 1226 B13R0.1 CC(O)CCCC(=O)NCCCCO 527a_100000750430_100000761597 [0,1,0,0,0,0|2,0,1]=4 1227 B13R0.1 CC(O)CCNC(=O)CCCCCO 240690a_200000755665_100102619762 [0,1,0,0,0,0|2,0,1]=4 1228 B13R0.1 CC/C=C\CCC(=O)CCC[N+](=O)[O-] 1458a_100016109205_100015370543 [0,1,0,0,0,0|1,0,2]=4 1229 B13R0.1 CC/C=C\CCC(=O)CCNC(=O)C 1458a_100000183196_100015370543 [0,1,0,0,0,0|2,0,1]=4 1230 B13R0.1 CC/C=C\CCC(=O)CCNC(=O)N 1458a_100000181464_100015370543 [0,1,0,0,0,0|2,0,1]=4 1231 B13R0.1 CC/C=C\CCC(=O)CCSC(=O)C 1458a_100000048949_100015370543 [0,1,0,0,0,0|2,0,1]=4 1232 B13R0.1 CC/C=C\CCC(=O)COCC(=O)N 1458a_100011219004_100015370543 [0,1,0,0,0,0|2,0,1]=4 1233 B13R0.1 CC/C=C\CCN(C)CCCC(=O)O 269956a_100000719178_100015370543 [0,1,0,0,0,0|2,0,1]=4 1234 B13R0.1 CCC/C=C/CC(=O)CCCC(=O)C 1458a_200016266809_100011215641 [0,1,0,0,0,0|1,0,1]=3 1235 B13R0.1 CCC/C=C/CC(=O)CCCC(=O)N 1458a_200016266809_100102525003 [0,1,0,0,0,0|1,0,1]=3 1236 B13R0.1 CCC/C=C/CC(=O)CCCC(C)O 1458a_200016266809_200000718107 [0,1,0,0,0,0|1,0,2]=4 1237 B13R0.1 CCC/C=C/CC(=O)CCNC(=O)C 1458a_200016266809_100000189650 [0,1,0,0,0,0|2,0,1]=4 1238 B13R0.1 CCC/C=C/CC(=O)CCNC(=O)N 1458a_200016266809_200000034859 [0,1,0,0,0,0|2,0,1]=4 1239 B13R0.1 CCC/C=C/CC(=O)CCOC(=O)C 1458a_200016266809_100009814007 [0,1,0,0,0,0|2,0,1]=4 1240 B13R0.1 CCC/C=C/CC(=O)CCOC(=O)N 1458a_200016266809_200011214921 [0,1,0,0,0,0|2,0,1]=4 1241 B13R0.1 CCC/C=C/CC(=O)NCCC(=O)N 11a_100000740010_200016266809 [0,1,0,0,0,0|2,0,1]=4 1242 B13R0.1 CCC/C=C/CC(=O)NCCC(=O)N 240690a_100000740010_200016266809 [0,1,0,0,0,0|2,0,1]=4 1243 B13R0.1 CCC/C=C/CC(=O)NCCC(=O)N 527a_100000740010_200016266809 [0,1,0,0,0,0|2,0,1]=4 1244 B13R0.1 CCCCC=CC(=O)CCCC(=O)C 1458a_100016266645_100011215641 [0,1,0,0,0,0|1,0,1]=3 1245 B13R0.1 CCCCC=CC(=O)CCCC(=O)N 1458a_100016266645_100102525003 [0,1,0,0,0,0|1,0,1]=3 1246 B13R0.1 CCCCC=CC(=O)CCCC(C)O 1458a_100016266645_200000718107 [0,1,0,0,0,0|1,0,2]=4 1247 B13R0.1 CCCCC=CC(=O)CCNC(=O)C 1458a_100016266645_100000189650 [0,1,0,0,0,0|2,0,1]=4 1248 B13R0.1 CCCCC=CC(=O)CCNC(=O)N 1458a_100016266645_200000034859 [0,1,0,0,0,0|2,0,1]=4 1249 B13R0.1 CCCCC=CC(=O)CCOC(=O)C 1458a_100016266645_100009814007 [0,1,0,0,0,0|2,0,1]=4 1250 B13R0.1 CCCCC=CC(=O)CCOC(=O)N 1458a_100016266645_200011214921 [0,1,0,0,0,0|2,0,1]=4 1251 B13R0.1 CCCCC=CC(=O)NCCC(=O)N 11a_100000740010_100016266645 [0,1,0,0,0,0|2,0,1]=4 1252 B13R0.1 CCCCC=CC(=O)NCCC(=O)N 240690a_100000740010_100016266645 [0,1,0,0,0,0|2,0,1]=4 1253 B13R0.1 CCCCCCC(=O)CCC=C(C)C 1458a_100102632555_100011217483 [0,1,0,0,0,0|2,0,1]=4 1254 B13R0.1 CCCCCCC(=O)CCC=C(F)F 1458a_100102632555_200009816681 [0,1,0,0,0,0|2,0,1]=4 1255 B13R0.1 CCCCCCC(=O)CCCC(=O)C 1458a_100102632555_100011215641 [0,1,0,0,0,0|1,0,0]=2 1256 B13R0.1 CCCCCCC(=O)CCCC(=O)N 1458a_100102632555_100102525003 [0,1,0,0,0,0|1,0,0]=2 1257 B13R0.1 CCCCCCC(=O)CCCC(C)C 1458a_100011216857_100000210757 [0,1,0,0,0,0|2,0,1]=4 1258 B13R0.1 CCCCCCC(=O)CCCC(C)C 1458a_100102632555_100011214892 [0,1,0,0,0,0|2,0,1]=4 1259 B13R0.1 CCCCCCC(=O)CCCC(C)O 1458a_100102632555_200000718107 [0,1,0,0,0,0|1,0,1]=3 1260 B13R0.1 CCCCCCC(=O)CCCN(C)C 1458a_100102632555_100000695564 [0,1,0,0,0,0|3,0,0]=4 1261 B13R0.1 CCCCCCC(=O)CCC[N+](=O)[O-] 1458a_100016109205_100000210757 [0,1,0,0,0,0|1,0,1]=3 1262 B13R0.1 CCCCCCC(=O)CCN=C(N)N 1458a_100000033030_100000210757 [0,1,0,0,0,0|3,0,0]=4 1263 B13R0.1 CCCCCCC(=O)CCNC(=O)C 1458a_100000183196_100000210757 [0,1,0,0,0,0|2,0,0]=3 1264 B13R0.1 CCCCCCC(=O)CCNC(=O)C 1458a_100102632555_100000189650 [0,1,0,0,0,0|2,0,0]=3 1265 B13R0.1 CCCCCCC(=O)CCNC(=O)N 1458a_100000181464_100000210757 [0,1,0,0,0,0|2,0,0]=3 1266 B13R0.1 CCCCCCC(=O)CCNC(=O)N 1458a_100102632555_200000034859 [0,1,0,0,0,0|2,0,0]=3 1267 B13R0.1 CCCCCCC(=O)CCOC(=O)C 1458a_100102632555_100009814007 [0,1,0,0,0,0|2,0,0]=3 1268 B13R0.1 CCCCCCC(=O)CCOC(=O)N 1458a_100102632555_200011214921 [0,1,0,0,0,0|2,0,0]=3 1269 B13R0.1 CCCCCCC(=O)CCSC(=O)C 1458a_100000048949_100000210757 [0,1,0,0,0,0|2,0,0]=3 1270 B13R0.1 CCCCCCC(=O)COCC(=O)N 1458a_100011219004_100000210757 [0,1,0,0,0,0|2,0,0]=3 1271 B13R0.1 CCCCCCC(=O)NCCC(=O)N 11a_100000740010_100102632555 [0,1,0,0,0,0|2,0,0]=3 1272 B13R0.1 CCCCCCC(=O)NCCC(=O)N 240690a_100000740010_100102632555 [0,1,0,0,0,0|2,0,0]=3 1273 B13R0.1 CCCCCCC(=O)NCCC(=O)N 527a_100000740010_100102632555 [0,1,0,0,0,0|2,0,0]=3 1274 B13R0.1 CCCCCCC(=O)NCCC(C)O 240690a_200000755665_100102632555 [0,1,0,0,0,0|2,0,1]=4 1275 B13R0.1 CCCCCCC(=O)NCCC(C)O 527a_200000755665_100102632555 [0,1,0,0,0,0|2,0,1]=4 1276 B13R0.1 CCCCCCN(C)CCCC(=O)C 269982a_106256046315_100011215641 [0,1,0,0,0,0|3,0,0]=4 1277 B13R0.1 CCCCCCN(C)CCCC(=O)N 269982a_106256046315_100102525003 [0,1,0,0,0,0|3,0,0]=4 1278 B13R0.1 CCCCCCN(C)CCCC(=O)O 269956a_100000719178_100000210757 [0,1,0,0,0,0|2,0,0]=3 1279 B13R0.1 CCCCCNC(=O)CCCC(C)C 11a_100000209983_100011216857 [0,1,0,0,0,0|2,0,1]=4 1280 B13R0.1 CCCCCNC(=O)CCCC(C)C 1626a_100000209983_100011216857 [0,1,0,0,0,0|2,0,1]=4 1281 B13R0.1 CCCCCNC(=O)CCCC(C)C 240690a_100000209983_100011216857 [0,1,0,0,0,0|2,0,1]=4 1282 B13R0.1 CCCCCNC(=O)CCCC(C)C 527a_100000209983_100011216857 [0,1,0,0,0,0|2,0,1]=4 1283 B13R0.1 CCCCCNC(=O)CCCC(C)O 1626a_100000209983_100000761597 [0,1,0,0,0,0|1,0,1]=3 1284 B13R0.1 CCCCCNC(=O)CCCC(C)O 527a_100000209983_100000761597 [0,1,0,0,0,0|1,0,1]=3 1285 B13R0.1 CCCCCNC(=O)CCCN(C)C 11a_100000209983_100000740757 [0,1,0,0,0,0|3,0,0]=4 1286 B13R0.1 CCCCCNC(=O)CCCN(C)C 240690a_100000209983_100000740757 [0,1,0,0,0,0|3,0,0]=4 1287 B13R0.1 CCCCCNC(=O)CCC[N+](=O)[O-] 11a_100000209983_100016109205 [0,1,0,0,0,0|1,0,1]=3 1288 B13R0.1 CCCCCNC(=O)CCC[N+](=O)[O-] 1626a_100000209983_100016109205 [0,1,0,0,0,0|1,0,1]=3 1289 B13R0.1 CCCCCNC(=O)CCC[N+](=O)[O-] 240690a_100000209983_100016109205 [0,1,0,0,0,0|1,0,1]=3 1290 B13R0.1 CCCCCNC(=O)CCC[N+](=O)[O-] 527a_100000209983_100016109205 [0,1,0,0,0,0|1,0,1]=3 1291 B13R0.1 CCCCCNC(=O)CCN=C(N)N 240690a_100000209983_100000033030 [0,1,0,0,0,0|3,0,0]=4 1292 B13R0.1 CCCCCNC(=O)CCNC(=O)C 11a_100000209983_100000183196 [0,1,0,0,0,0|2,0,0]=3 1293 B13R0.1 CCCCCNC(=O)CCNC(=O)C 1626a_100000209983_100000183196 [0,1,0,0,0,0|2,0,0]=3 1294 B13R0.1 CCCCCNC(=O)CCNC(=O)C 240690a_100000209983_100000183196 [0,1,0,0,0,0|2,0,0]=3 1295 B13R0.1 CCCCCNC(=O)CCNC(=O)C 527a_100000209983_100000183196 [0,1,0,0,0,0|2,0,0]=3 1296 B13R0.1 CCCCCNC(=O)CCNC(=O)N 240690a_100000209983_100000181464 [0,1,0,0,0,0|2,0,0]=3 1297 B13R0.1 CCCCCNC(=O)CCNC(=O)N 527a_100000209983_100000181464 [0,1,0,0,0,0|2,0,0]=3 1298 B13R0.1 CCCCCNC(=O)CCSC(=O)C 1626a_100000209983_100000048949 [0,1,0,0,0,0|2,0,0]=3 1299 B13R0.1 CCCCCNC(=O)CCSC(=O)C 240690a_100000209983_100000048949 [0,1,0,0,0,0|2,0,0]=3 1300 B13R0.1 CCCCCNC(=O)CNCC(=O)N 2230a_100000711301_100000230301 [0,1,0,0,0,0|2,0,0]=3 1301 B13R0.1 CCCCCNC(=O)CNCC(=O)O 269956a_100016091260_100000230301 [0,1,0,0,0,0|1,0,0]=2 1302 B13R0.1 CCCCCNC(=O)CNCC(C)O 2230a_100000210904_100000230301 [0,1,0,0,0,0|2,0,1]=4 1303 B13R0.1 CCCCCNC(=O)CNCC(C)O 34a_100000210904_100000230301 [0,1,0,0,0,0|2,0,1]=4 1304 B13R0.1 CCCCCNC(=O)COCC(=O)C 34a_100000211253_100000230301 [0,1,0,0,0,0|2,0,0]=3 1305 B13R0.1 CCCCCNC(=O)COCC(=O)N 1626a_100000209983_100011219004 [0,1,0,0,0,0|2,0,0]=3 1306 B13R0.1 CCCCCNC(=O)COCC(=O)N 240690a_100000209983_100011219004 [0,1,0,0,0,0|2,0,0]=3 1307 B13R0.1 CCCCCNC(=O)COCC(=O)N 527a_100000209983_100011219004 [0,1,0,0,0,0|2,0,0]=3 1308 B13R0.1 CCCCCNC(=O)CSCC(=O)N 11a_100000209983_100000150265 [0,1,0,0,0,0|2,0,0]=3 1309 B13R0.1 CCCCCNC(=O)CSCC(=O)N 240690a_100000209983_100000150265 [0,1,0,0,0,0|2,0,0]=3 1310 B13R0.1 CCCCCNC(=O)CSCC(=O)N 527a_100000209983_100000150265 [0,1,0,0,0,0|2,0,0]=3 1311 B13R0.1 CCCCCNC(=O)CSCC(=O)N 62a_100000230301_100000747473 [0,1,0,0,0,0|2,0,0]=3 1312 B13R0.1 CCCCCNC(=O)CSCC(=O)N 62a_100000747473_100000230301 [0,1,0,0,0,0|2,0,0]=3 1313 B13R0.1 CCCCCNC(=O)CSCC(=O)[O-] 62a_100000230301_100020667443 [0,1,0,0,0,0|1,0,1]=3 1314 B13R0.1 CCCCCNC(=O)CSCC(=O)[O-] 62a_100020667443_100000230301 [0,1,0,0,0,0|1,0,1]=3 1315 B13R0.1 CCCCCNC(=O)CSCC(C)O 62a_100000230301_100011218427 [0,1,0,0,0,0|2,0,1]=4 1316 B13R0.1 CCCCCNC(=O)CSCC(C)O 62a_100011218427_100000230301 [0,1,0,0,0,0|2,0,1]=4 1317 B13R0.1 CCCCCNC(=O)CSC[C@@H](C)O 62a_100000230301_100009817552 [0,1,0,0,0,0|2,0,1]=4 1318 B13R0.1 CCCCCNC(=O)CSC[C@@H](C)O 62a_100009817552_100000230301 [0,1,0,0,0,0|2,0,1]=4 1319 B13R0.1 CCCCCNC(=O)CSC[N+](=O)[O-] 62a_100000230301_100000761209 [0,1,0,0,0,0|2,0,1]=4 1320 B13R0.1 CCCCCNC(=O)NCCC(=O)N 2708a_100000209983_100000740010 [0,1,0,0,0,0|2,0,0]=3 1321 B13R0.1 CCCCCNC(=O)NCCC(=O)N 273464a_100000209983_100000740010 [0,1,0,0,0,0|2,0,0]=3 1322 B13R0.1 CCCCCNC(=O)NCCC(=O)N 273464a_100000740010_100000209983 [0,1,0,0,0,0|2,0,0]=3 1323 B13R0.1 CCCCCNC(=O)NCCC(=O)N 512a_100000209983_100000740010 [0,1,0,0,0,0|2,0,0]=3 1324 B13R0.1 CCCCCNC(=O)NCCC(C)O 2708a_100000209983_200000755665 [0,1,0,0,0,0|2,0,1]=4 1325 B13R0.1 CCCCCNC(=O)NCCC(C)O 273464a_200000755665_100000209983 [0,1,0,0,0,0|2,0,1]=4 1326 B13R0.1 CCCCCNC(=O)NCCC(C)O 512a_100000209983_200000755665 [0,1,0,0,0,0|2,0,1]=4 1327 B13R0.1 CCCCCNC(=O)NCCC(C)O 512a_200000755665_100000209983 [0,1,0,0,0,0|2,0,1]=4 1328 B13R0.1 CCCCCOC(C)CCCC(=O)[O-] 7a_100000761597_100000210326 [0,1,0,0,0,0|1,0,2]=4 1329 B13R0.1 CCCCNCC(=O)NCCC(=O)N 2230a_200138414118_100000210211 [0,1,0,0,0,0|2,0,0]=3 1330 B13R0.1 CCCCNNC(=O)CCCC(C)O 22a_100025702795_100000761597 [0,1,0,0,0,0|2,0,1]=4 1331 B13R0.1 CCCCNNC(=O)CCC[N+](=O)[O-] 22a_100025702795_100016109205 [0,1,0,0,0,0|2,0,1]=4 1332 B13R0.1 CCCCNNC(=O)CCNC(=O)C 22a_100025702795_100000183196 [0,1,0,0,0,0|3,0,0]=4 1333 B13R0.1 CCCCNNC(=O)CCNC(=O)N 22a_100025702795_100000181464 [0,1,0,0,0,0|3,0,0]=4 1334 B13R0.1 CCCCNNC(=O)COCC(=O)N 22a_100025702795_100011219004 [0,1,0,0,0,0|3,0,0]=4 1335 B13R0.1 CCCCNNC(=O)CSCC(=O)N 22a_100025702795_100000150265 [0,1,0,0,0,0|3,0,0]=4 1336 B13R0.1 CCCCNNC(=O)NCCC(=O)N 273464a_100000740010_100025702795 [0,1,0,0,0,0|3,0,0]=4 1337 B13R0.1 CCCCNNC(=O)NCCC(=O)N 512a_100025702795_100000740010 [0,1,0,0,0,0|3,0,0]=4 1338 B13R0.1 CCCCOCC(=O)CCC=C(C)C 1458a_100000757543_100011217483 [0,1,0,0,0,0|2,0,1]=4 1339 B13R0.1 CCCCOCC(=O)CCC=C(F)F 1458a_100000757543_200009816681 [0,1,0,0,0,0|2,0,1]=4 1340 B13R0.1 CCCCOCC(=O)CCCC(=O)C 1458a_100000757543_100011215641 [0,1,0,0,0,0|1,0,0]=2 1341 B13R0.1 CCCCOCC(=O)CCCC(=O)N 1458a_100000757543_100102525003 [0,1,0,0,0,0|1,0,0]=2 1342 B13R0.1 CCCCOCC(=O)CCCC(C)C 1458a_100000757543_100011214892 [0,1,0,0,0,0|2,0,1]=4 1343 B13R0.1 CCCCOCC(=O)CCCC(C)C 1458a_100011216857_100011995733 [0,1,0,0,0,0|2,0,1]=4 1344 B13R0.1 CCCCOCC(=O)CCCC(C)O 1458a_100000757543_200000718107 [0,1,0,0,0,0|1,0,1]=3 1345 B13R0.1 CCCCOCC(=O)CCCN(C)C 1458a_100000757543_100000695564 [0,1,0,0,0,0|3,0,0]=4 1346 B13R0.1 CCCCOCC(=O)CCC[N+](=O)[O-] 1458a_100016109205_100011995733 [0,1,0,0,0,0|1,0,1]=3 1347 B13R0.1 CCCCOCC(=O)CCN=C(N)N 1458a_100000033030_100011995733 [0,1,0,0,0,0|3,0,0]=4 1348 B13R0.1 CCCCOCC(=O)CCNC(=O)C 1458a_100000183196_100011995733 [0,1,0,0,0,0|2,0,0]=3 1349 B13R0.1 CCCCOCC(=O)CCNC(=O)C 1458a_100000757543_100000189650 [0,1,0,0,0,0|2,0,0]=3 1350 B13R0.1 CCCCOCC(=O)CCNC(=O)N 1458a_100000181464_100011995733 [0,1,0,0,0,0|2,0,0]=3 1351 B13R0.1 CCCCOCC(=O)CCNC(=O)N 1458a_100000757543_200000034859 [0,1,0,0,0,0|2,0,0]=3 1352 B13R0.1 CCCCOCC(=O)CCOC(=O)C 1458a_100000757543_100009814007 [0,1,0,0,0,0|2,0,0]=3 1353 B13R0.1 CCCCOCC(=O)CCOC(=O)N 1458a_100000757543_200011214921 [0,1,0,0,0,0|2,0,0]=3 1354 B13R0.1 CCCCOCC(=O)CCSC(=O)C 1458a_100000048949_100011995733 [0,1,0,0,0,0|2,0,0]=3 1355 B13R0.1 CCCCOCC(=O)COCC(=O)N 1458a_100011219004_100011995733 [0,1,0,0,0,0|2,0,0]=3 1356 B13R0.1 CCCCOCC(=O)NCCC(=O)N 11a_100000740010_100000757543 [0,1,0,0,0,0|2,0,0]=3 1357 B13R0.1 CCCCOCC(=O)NCCC(=O)N 240690a_100000740010_100000757543 [0,1,0,0,0,0|2,0,0]=3 1358 B13R0.1 CCCCOCC(=O)NCCC(=O)N 527a_100000740010_100000757543 [0,1,0,0,0,0|2,0,0]=3 1359 B13R0.1 CCCCOCC(=O)NCCC(C)O 240690a_200000755665_100000757543 [0,1,0,0,0,0|2,0,1]=4 1360 B13R0.1 CCCCOCC(=O)NCCC(C)O 527a_200000755665_100000757543 [0,1,0,0,0,0|2,0,1]=4 1361 B13R0.1 CCCCOCN(C)CCCC(=O)O 269956a_100000719178_100011995733 [0,1,0,0,0,0|2,0,0]=3 1362 B13R0.1 CCCCSCC(=O)CCC=C(C)C 1458a_100000191162_100011217483 [0,1,0,0,0,0|2,0,1]=4 1363 B13R0.1 CCCCSCC(=O)CCC=C(F)F 1458a_100000191162_200009816681 [0,1,0,0,0,0|2,0,1]=4 1364 B13R0.1 CCCCSCC(=O)CCCC(=O)C 1458a_100000191162_100011215641 [0,1,0,0,0,0|1,0,0]=2 1365 B13R0.1 CCCCSCC(=O)CCCC(=O)N 1458a_100000191162_100102525003 [0,1,0,0,0,0|1,0,0]=2 1366 B13R0.1 CCCCSCC(=O)CCCC(C)C 1458a_100000191162_100011214892 [0,1,0,0,0,0|2,0,1]=4 1367 B13R0.1 CCCCSCC(=O)CCCC(C)O 1458a_100000191162_200000718107 [0,1,0,0,0,0|1,0,1]=3 1368 B13R0.1 CCCCSCC(=O)CCCN(C)C 1458a_100000191162_100000695564 [0,1,0,0,0,0|3,0,0]=4 1369 B13R0.1 CCCCSCC(=O)CCNC(=O)C 1458a_100000191162_100000189650 [0,1,0,0,0,0|2,0,0]=3 1370 B13R0.1 CCCCSCC(=O)CCNC(=O)N 1458a_100000191162_200000034859 [0,1,0,0,0,0|2,0,0]=3 1371 B13R0.1 CCCCSCC(=O)CCOC(=O)C 1458a_100000191162_100009814007 [0,1,0,0,0,0|2,0,0]=3 1372 B13R0.1 CCCCSCC(=O)CCOC(=O)N 1458a_100000191162_200011214921 [0,1,0,0,0,0|2,0,0]=3 1373 B13R0.1 CCCCSCC(=O)NCCC(=O)N 11a_100000740010_100000191162 [0,1,0,0,0,0|2,0,0]=3 1374 B13R0.1 CCCCSCC(=O)NCCC(=O)N 240690a_100000740010_100000191162 [0,1,0,0,0,0|2,0,0]=3 1375 B13R0.1 CCCCSCC(=O)NCCC(=O)N 527a_100000740010_100000191162 [0,1,0,0,0,0|2,0,0]=3 1376 B13R0.1 CCCCSCC(=O)NCCC(C)O 240690a_200000755665_100000191162 [0,1,0,0,0,0|2,0,1]=4 1377 B13R0.1 CCCCSCC(=O)NCCC(C)O 527a_200000755665_100000191162 [0,1,0,0,0,0|2,0,1]=4 1378 B13R0.1 CCCOCCC(=O)CCCC(C)C 1458a_100011216857_100011215938 [0,1,0,0,0,0|2,0,1]=4 1379 B13R0.1 CCCOCCC(=O)CCC[N+](=O)[O-] 1458a_100016109205_100011215938 [0,1,0,0,0,0|1,0,1]=3 1380 B13R0.1 CCCOCCC(=O)CCN=C(N)N 1458a_100000033030_100011215938 [0,1,0,0,0,0|3,0,0]=4 1381 B13R0.1 CCCOCCC(=O)CCNC(=O)C 1458a_100000183196_100011215938 [0,1,0,0,0,0|2,0,0]=3 1382 B13R0.1 CCCOCCC(=O)CCNC(=O)N 1458a_100000181464_100011215938 [0,1,0,0,0,0|2,0,0]=3 1383 B13R0.1 CCCOCCC(=O)CCSC(=O)C 1458a_100000048949_100011215938 [0,1,0,0,0,0|2,0,0]=3 1384 B13R0.1 CCCOCCC(=O)COCC(=O)N 1458a_100011219004_100011215938 [0,1,0,0,0,0|2,0,0]=3 1385 B13R0.1 CCCOCCN(C)CCCC(=O)O 269956a_100000719178_100011215938 [0,1,0,0,0,0|2,0,0]=3 1386 B13R0.1 CCOCCCC(=O)CCCC(C)C 1458a_100011216857_100012232248 [0,1,0,0,0,0|2,0,1]=4 1387 B13R0.1 CCOCCCC(=O)CCC[N+](=O)[O-] 1458a_100016109205_100012232248 [0,1,0,0,0,0|1,0,1]=3 1388 B13R0.1 CCOCCCC(=O)CCN=C(N)N 1458a_100000033030_100012232248 [0,1,0,0,0,0|3,0,0]=4 1389 B13R0.1 CCOCCCC(=O)CCNC(=O)C 1458a_100000183196_100012232248 [0,1,0,0,0,0|2,0,0]=3 1390 B13R0.1 CCOCCCC(=O)CCNC(=O)N 1458a_100000181464_100012232248 [0,1,0,0,0,0|2,0,0]=3 1391 B13R0.1 CCOCCCC(=O)CCSC(=O)C 1458a_100000048949_100012232248 [0,1,0,0,0,0|2,0,0]=3 1392 B13R0.1 CCOCCCC(=O)COCC(=O)N 1458a_100011219004_100012232248 [0,1,0,0,0,0|2,0,0]=3 1393 B13R0.1 CCOCCCN(C)CCCC(=O)O 269956a_100000719178_100012232248 [0,1,0,0,0,0|2,0,0]=3 1394 B13R0.1 CCOCCNC(=O)CCCC(C)O 1626a_102516460346_100000761597 [0,1,0,0,0,0|2,0,1]=4 1395 B13R0.1 CCOCCNC(=O)CCCC(C)O 527a_100011200944_100000761597 [0,1,0,0,0,0|2,0,1]=4 1396 B13R0.1 CCOCCNC(=O)CCC[N+](=O)[O-] 11a_100011200944_100016109205 [0,1,0,0,0,0|2,0,1]=4 1397 B13R0.1 CCOCCNC(=O)CCC[N+](=O)[O-] 1626a_102516460346_100016109205 [0,1,0,0,0,0|2,0,1]=4 1398 B13R0.1 CCOCCNC(=O)CCC[N+](=O)[O-] 240690a_100011200944_100016109205 [0,1,0,0,0,0|2,0,1]=4 1399 B13R0.1 CCOCCNC(=O)CCC[N+](=O)[O-] 527a_100011200944_100016109205 [0,1,0,0,0,0|2,0,1]=4 1400 B13R0.1 CCOCCNC(=O)CCNC(=O)C 11a_100011200944_100000183196 [0,1,0,0,0,0|3,0,0]=4 1401 B13R0.1 CCOCCNC(=O)CCNC(=O)C 1626a_102516460346_100000183196 [0,1,0,0,0,0|3,0,0]=4 1402 B13R0.1 CCOCCNC(=O)CCNC(=O)C 240690a_100011200944_100000183196 [0,1,0,0,0,0|3,0,0]=4 1403 B13R0.1 CCOCCNC(=O)CCNC(=O)C 527a_100011200944_100000183196 [0,1,0,0,0,0|3,0,0]=4 1404 B13R0.1 CCOCCNC(=O)CCNC(=O)N 240690a_100011200944_100000181464 [0,1,0,0,0,0|3,0,0]=4 1405 B13R0.1 CCOCCNC(=O)CCNC(=O)N 527a_100011200944_100000181464 [0,1,0,0,0,0|3,0,0]=4 1406 B13R0.1 CCOCCNC(=O)CCSC(=O)C 1626a_102516460346_100000048949 [0,1,0,0,0,0|3,0,0]=4 1407 B13R0.1 CCOCCNC(=O)CCSC(=O)C 240690a_100011200944_100000048949 [0,1,0,0,0,0|3,0,0]=4 1408 B13R0.1 CCOCCNC(=O)COCC(=O)N 1626a_102516460346_100011219004 [0,1,0,0,0,0|3,0,0]=4 1409 B13R0.1 CCOCCNC(=O)COCC(=O)N 240690a_100011200944_100011219004 [0,1,0,0,0,0|3,0,0]=4 1410 B13R0.1 CCOCCNC(=O)COCC(=O)N 527a_100011200944_100011219004 [0,1,0,0,0,0|3,0,0]=4 1411 B13R0.1 CCOCCNC(=O)CSCC(=O)N 11a_100011200944_100000150265 [0,1,0,0,0,0|3,0,0]=4 1412 B13R0.1 CCOCCNC(=O)CSCC(=O)N 240690a_100011200944_100000150265 [0,1,0,0,0,0|3,0,0]=4 1413 B13R0.1 CCOCCNC(=O)CSCC(=O)N 527a_100011200944_100000150265 [0,1,0,0,0,0|3,0,0]=4 1414 B13R0.1 CCOCCNC(=O)NCCC(=O)N 2708a_100011200944_100000740010 [0,1,0,0,0,0|3,0,0]=4 1415 B13R0.1 CCOCCNC(=O)NCCC(=O)N 273464a_100000740010_102516460346 [0,1,0,0,0,0|3,0,0]=4 1416 B13R0.1 CCOCCNC(=O)NCCC(=O)N 273464a_102516460346_100000740010 [0,1,0,0,0,0|3,0,0]=4 1417 B13R0.1 CCOCCNC(=O)NCCC(=O)N 512a_100011200944_100000740010 [0,1,0,0,0,0|3,0,0]=4 1418 B13R0.1 CCOCCOC(=O)CNCC(=O)N 2230a_100000711301_200000101388 [0,1,0,0,0,0|3,0,0]=4 1419 B13R0.1 CCOCCOC(=O)CNCC(=O)O 269956a_100016091260_200000101388 [0,1,0,0,0,0|2,0,0]=3 1420 B13R0.1 CCOCCOC(=O)COCC(=O)C 34a_100000211253_200000101388 [0,1,0,0,0,0|3,0,0]=4 1421 B13R0.1 CCOCCOC(=O)CSCC(=O)N 62a_100000747473_200000101388 [0,1,0,0,0,0|3,0,0]=4 1422 B13R0.1 CCOCCOC(=O)CSCC(=O)N 62a_200000101388_100000747473 [0,1,0,0,0,0|3,0,0]=4 1423 B13R0.1 CCOCCOC(=O)CSCC(=O)[O-] 62a_100020667443_200000101388 [0,1,0,0,0,0|2,0,1]=4 1424 B13R0.1 CCOCCOC(=O)CSCC(=O)[O-] 62a_200000101388_100020667443 [0,1,0,0,0,0|2,0,1]=4 1425 B13R0.1 CCSCCNC(=O)CCCC(C)O 1626a_100000106463_100000761597 [0,1,0,0,0,0|2,0,1]=4 1426 B13R0.1 CCSCCNC(=O)CCCC(C)O 527a_100000106463_100000761597 [0,1,0,0,0,0|2,0,1]=4 1427 B13R0.1 CCSCCNC(=O)CCC[N+](=O)[O-] 11a_100000106463_100016109205 [0,1,0,0,0,0|2,0,1]=4 1428 B13R0.1 CCSCCNC(=O)CCC[N+](=O)[O-] 1626a_100000106463_100016109205 [0,1,0,0,0,0|2,0,1]=4 1429 B13R0.1 CCSCCNC(=O)CCC[N+](=O)[O-] 240690a_100000106463_100016109205 [0,1,0,0,0,0|2,0,1]=4 1430 B13R0.1 CCSCCNC(=O)CCC[N+](=O)[O-] 527a_100000106463_100016109205 [0,1,0,0,0,0|2,0,1]=4 1431 B13R0.1 CCSCCNC(=O)CCNC(=O)C 11a_100000106463_100000183196 [0,1,0,0,0,0|3,0,0]=4 1432 B13R0.1 CCSCCNC(=O)CCNC(=O)C 1626a_100000106463_100000183196 [0,1,0,0,0,0|3,0,0]=4 1433 B13R0.1 CCSCCNC(=O)CCNC(=O)C 240690a_100000106463_100000183196 [0,1,0,0,0,0|3,0,0]=4 1434 B13R0.1 CCSCCNC(=O)CCNC(=O)C 527a_100000106463_100000183196 [0,1,0,0,0,0|3,0,0]=4 1435 B13R0.1 CCSCCNC(=O)CCNC(=O)N 240690a_100000106463_100000181464 [0,1,0,0,0,0|3,0,0]=4 1436 B13R0.1 CCSCCNC(=O)CCNC(=O)N 527a_100000106463_100000181464 [0,1,0,0,0,0|3,0,0]=4 1437 B13R0.1 CCSCCNC(=O)CCSC(=O)C 1626a_100000106463_100000048949 [0,1,0,0,0,0|3,0,0]=4 1438 B13R0.1 CCSCCNC(=O)CCSC(=O)C 240690a_100000106463_100000048949 [0,1,0,0,0,0|3,0,0]=4 1439 B13R0.1 CCSCCNC(=O)COCC(=O)N 1626a_100000106463_100011219004 [0,1,0,0,0,0|3,0,0]=4 1440 B13R0.1 CCSCCNC(=O)COCC(=O)N 240690a_100000106463_100011219004 [0,1,0,0,0,0|3,0,0]=4 1441 B13R0.1 CCSCCNC(=O)COCC(=O)N 527a_100000106463_100011219004 [0,1,0,0,0,0|3,0,0]=4 1442 B13R0.1 CCSCCNC(=O)CSCC(=O)N 11a_100000106463_100000150265 [0,1,0,0,0,0|3,0,0]=4 1443 B13R0.1 CCSCCNC(=O)CSCC(=O)N 240690a_100000106463_100000150265 [0,1,0,0,0,0|3,0,0]=4 1444 B13R0.1 CCSCCNC(=O)CSCC(=O)N 527a_100000106463_100000150265 [0,1,0,0,0,0|3,0,0]=4 1445 B13R0.1 CCSCCNC(=O)NCCC(=O)N 2708a_100000106463_100000740010 [0,1,0,0,0,0|3,0,0]=4 1446 B13R0.1 CCSCCNC(=O)NCCC(=O)N 273464a_100000106463_100000740010 [0,1,0,0,0,0|3,0,0]=4 1447 B13R0.1 CCSCCNC(=O)NCCC(=O)N 273464a_100000740010_100000106463 [0,1,0,0,0,0|3,0,0]=4 1448 B13R0.1 CCSCCNC(=O)NCCC(=O)N 512a_100000106463_100000740010 [0,1,0,0,0,0|3,0,0]=4 1449 B13R0.1 CN(C)CCCC(=O)CCCCCO 1458a_100102619762_100000695564 [0,1,0,0,0,0|3,0,0]=4 1450 B13R0.1 CN(CCCC(=O)O)CCOCCO 269956a_100000719178_100011215305 [0,1,0,0,0,0|3,0,0]=4 1451 B13R0.1 CN(CCCCC#N)CCCC(=O)O 269956a_100000719178_100011219923 [0,1,0,0,0,0|2,0,1]=4 1452 B13R0.1 CN(CCCCC=O)CCCC(=O)O 269956a_100000719178_100000139335 [0,1,0,0,0,0|2,0,1]=4 1453 B13R0.1 CN(CCCCCF)CCCC(=O)O 269956a_100000719178_100000729378 [0,1,0,0,0,0|2,0,0]=3 1454 B13R0.1 CN(CCCCCO)CCCC(=O)N 269982a_100000722520_100102525003 [0,1,0,0,0,0|3,0,0]=4 1455 B13R0.1 CN(CCCCCO)CCCC(=O)O 269956a_100000719178_100000746330 [0,1,0,0,0,0|2,0,0]=3 1456 B13R0.1 COCCCCC(=O)CCCC(C)C 1458a_100011216857_100000755781 [0,1,0,0,0,0|2,0,1]=4 1457 B13R0.1 COCCCCC(=O)CCC[N+](=O)[O-] 1458a_100016109205_100000755781 [0,1,0,0,0,0|1,0,1]=3 1458 B13R0.1 COCCCCC(=O)CCN=C(N)N 1458a_100000033030_100000755781 [0,1,0,0,0,0|3,0,0]=4 1459 B13R0.1 COCCCCC(=O)CCNC(=O)C 1458a_100000183196_100000755781 [0,1,0,0,0,0|2,0,0]=3 1460 B13R0.1 COCCCCC(=O)CCNC(=O)N 1458a_100000181464_100000755781 [0,1,0,0,0,0|2,0,0]=3 1461 B13R0.1 COCCCCC(=O)CCSC(=O)C 1458a_100000048949_100000755781 [0,1,0,0,0,0|2,0,0]=3 1462 B13R0.1 COCCCCC(=O)COCC(=O)N 1458a_100011219004_100000755781 [0,1,0,0,0,0|2,0,0]=3 1463 B13R0.1 COCCCCN(C)CCCC(=O)O 269956a_100000719178_100000730899 [0,1,0,0,0,0|2,0,0]=3 1464 B13R0.1 COCCCNC(=O)CCCC(C)O 1626a_100150723488_100000761597 [0,1,0,0,0,0|2,0,1]=4 1465 B13R0.1 COCCCNC(=O)CCCC(C)O 527a_100150723488_100000761597 [0,1,0,0,0,0|2,0,1]=4 1466 B13R0.1 COCCCNC(=O)CCC[N+](=O)[O-] 1626a_100150723488_100016109205 [0,1,0,0,0,0|2,0,1]=4 1467 B13R0.1 COCCCNC(=O)CCC[N+](=O)[O-] 240690a_100150723488_100016109205 [0,1,0,0,0,0|2,0,1]=4 1468 B13R0.1 COCCCNC(=O)CCC[N+](=O)[O-] 527a_100150723488_100016109205 [0,1,0,0,0,0|2,0,1]=4 1469 B13R0.1 COCCCNC(=O)CCNC(=O)C 1626a_100150723488_100000183196 [0,1,0,0,0,0|3,0,0]=4 1470 B13R0.1 COCCCNC(=O)CCNC(=O)C 240690a_100150723488_100000183196 [0,1,0,0,0,0|3,0,0]=4 1471 B13R0.1 COCCCNC(=O)CCNC(=O)C 527a_100150723488_100000183196 [0,1,0,0,0,0|3,0,0]=4 1472 B13R0.1 COCCCNC(=O)CCNC(=O)N 240690a_100150723488_100000181464 [0,1,0,0,0,0|3,0,0]=4 1473 B13R0.1 COCCCNC(=O)CCNC(=O)N 527a_100150723488_100000181464 [0,1,0,0,0,0|3,0,0]=4 1474 B13R0.1 COCCCNC(=O)CCSC(=O)C 1626a_100150723488_100000048949 [0,1,0,0,0,0|3,0,0]=4 1475 B13R0.1 COCCCNC(=O)CCSC(=O)C 240690a_100150723488_100000048949 [0,1,0,0,0,0|3,0,0]=4 1476 B13R0.1 COCCCNC(=O)CNCC(=O)N 2230a_100000711301_100000183178 [0,1,0,0,0,0|3,0,0]=4 1477 B13R0.1 COCCCNC(=O)CNCC(=O)O 269956a_100016091260_100000183178 [0,1,0,0,0,0|2,0,0]=3 1478 B13R0.1 COCCCNC(=O)COCC(=O)C 34a_100000211253_100000183178 [0,1,0,0,0,0|3,0,0]=4 1479 B13R0.1 COCCCNC(=O)COCC(=O)N 1626a_100150723488_100011219004 [0,1,0,0,0,0|3,0,0]=4 1480 B13R0.1 COCCCNC(=O)COCC(=O)N 240690a_100150723488_100011219004 [0,1,0,0,0,0|3,0,0]=4 1481 B13R0.1 COCCCNC(=O)COCC(=O)N 527a_100150723488_100011219004 [0,1,0,0,0,0|3,0,0]=4 1482 B13R0.1 COCCCNC(=O)CSCC(=O)N 240690a_100150723488_100000150265 [0,1,0,0,0,0|3,0,0]=4 1483 B13R0.1 COCCCNC(=O)CSCC(=O)N 527a_100150723488_100000150265 [0,1,0,0,0,0|3,0,0]=4 1484 B13R0.1 COCCCNC(=O)CSCC(=O)N 62a_100000183178_100000747473 [0,1,0,0,0,0|3,0,0]=4 1485 B13R0.1 COCCCNC(=O)CSCC(=O)[O-] 62a_100000183178_100020667443 [0,1,0,0,0,0|2,0,1]=4 1486 B13R0.1 COCCCNC(=O)NCCC(=O)N 2708a_100150723488_100000740010 [0,1,0,0,0,0|3,0,0]=4 1487 B13R0.1 COCCCNC(=O)NCCC(=O)N 273464a_100000740010_100150723488 [0,1,0,0,0,0|3,0,0]=4 1488 B13R0.1 COCCCNC(=O)NCCC(=O)N 273464a_100150723488_100000740010 [0,1,0,0,0,0|3,0,0]=4 1489 B13R0.1 COCCNCC(=O)NCCC(=O)N 2230a_200138414118_100011201679 [0,1,0,0,0,0|3,0,0]=4 1490 B13R0.1 COCCOCC(=O)CCCC(=O)C 1458a_100000211095_100011215641 [0,1,0,0,0,0|2,0,0]=3 1491 B13R0.1 COCCOCC(=O)CCCC(=O)N 1458a_100000211095_100102525003 [0,1,0,0,0,0|2,0,0]=3 1492 B13R0.1 COCCOCC(=O)CCCC(C)O 1458a_100000211095_200000718107 [0,1,0,0,0,0|2,0,1]=4 1493 B13R0.1 COCCOCC(=O)CCNC(=O)C 1458a_100000211095_100000189650 [0,1,0,0,0,0|3,0,0]=4 1494 B13R0.1 COCCOCC(=O)CCNC(=O)N 1458a_100000211095_200000034859 [0,1,0,0,0,0|3,0,0]=4 1495 B13R0.1 COCCOCC(=O)CCOC(=O)C 1458a_100000211095_100009814007 [0,1,0,0,0,0|3,0,0]=4 1496 B13R0.1 COCCOCC(=O)CCOC(=O)N 1458a_100000211095_200011214921 [0,1,0,0,0,0|3,0,0]=4 1497 B13R0.1 COCCOCC(=O)NCCC(=O)N 11a_100000740010_100000211095 [0,1,0,0,0,0|3,0,0]=4 1498 B13R0.1 COCCOCC(=O)NCCC(=O)N 240690a_100000740010_100000211095 [0,1,0,0,0,0|3,0,0]=4 1499 B13R0.1 COCCOCC(=O)NCCC(=O)N 527a_100000740010_100000211095 [0,1,0,0,0,0|3,0,0]=4 1500 B13R0.1 COCCOCN(C)CCCC(=O)O 269956a_100000719178_100000231047 [0,1,0,0,0,0|3,0,0]=4 1501 B13R0.1 CSCCCNC(=O)CCCC(C)O 1626a_100000749238_100000761597 [0,1,0,0,0,0|2,0,1]=4 1502 B13R0.1 CSCCCNC(=O)CCCC(C)O 527a_100000749238_100000761597 [0,1,0,0,0,0|2,0,1]=4 1503 B13R0.1 CSCCCNC(=O)CCC[N+](=O)[O-] 11a_100000749238_100016109205 [0,1,0,0,0,0|2,0,1]=4 1504 B13R0.1 CSCCCNC(=O)CCC[N+](=O)[O-] 1626a_100000749238_100016109205 [0,1,0,0,0,0|2,0,1]=4 1505 B13R0.1 CSCCCNC(=O)CCC[N+](=O)[O-] 240690a_100000749238_100016109205 [0,1,0,0,0,0|2,0,1]=4 1506 B13R0.1 CSCCCNC(=O)CCC[N+](=O)[O-] 527a_100000749238_100016109205 [0,1,0,0,0,0|2,0,1]=4 1507 B13R0.1 CSCCCNC(=O)CCNC(=O)C 11a_100000749238_100000183196 [0,1,0,0,0,0|3,0,0]=4 1508 B13R0.1 CSCCCNC(=O)CCNC(=O)C 1626a_100000749238_100000183196 [0,1,0,0,0,0|3,0,0]=4 1509 B13R0.1 CSCCCNC(=O)CCNC(=O)C 240690a_100000749238_100000183196 [0,1,0,0,0,0|3,0,0]=4 1510 B13R0.1 CSCCCNC(=O)CCNC(=O)C 527a_100000749238_100000183196 [0,1,0,0,0,0|3,0,0]=4 1511 B13R0.1 CSCCCNC(=O)CCNC(=O)N 240690a_100000749238_100000181464 [0,1,0,0,0,0|3,0,0]=4 1512 B13R0.1 CSCCCNC(=O)CCNC(=O)N 527a_100000749238_100000181464 [0,1,0,0,0,0|3,0,0]=4 1513 B13R0.1 CSCCCNC(=O)CCSC(=O)C 1626a_100000749238_100000048949 [0,1,0,0,0,0|3,0,0]=4 1514 B13R0.1 CSCCCNC(=O)CCSC(=O)C 240690a_100000749238_100000048949 [0,1,0,0,0,0|3,0,0]=4 1515 B13R0.1 CSCCCNC(=O)COCC(=O)N 1626a_100000749238_100011219004 [0,1,0,0,0,0|3,0,0]=4 1516 B13R0.1 CSCCCNC(=O)COCC(=O)N 240690a_100000749238_100011219004 [0,1,0,0,0,0|3,0,0]=4 1517 B13R0.1 CSCCCNC(=O)COCC(=O)N 527a_100000749238_100011219004 [0,1,0,0,0,0|3,0,0]=4 1518 B13R0.1 CSCCCNC(=O)CSCC(=O)N 11a_100000749238_100000150265 [0,1,0,0,0,0|3,0,0]=4 1519 B13R0.1 CSCCCNC(=O)CSCC(=O)N 240690a_100000749238_100000150265 [0,1,0,0,0,0|3,0,0]=4 1520 B13R0.1 CSCCCNC(=O)CSCC(=O)N 527a_100000749238_100000150265 [0,1,0,0,0,0|3,0,0]=4 1521 B13R0.1 CSCCCNC(=O)NCCC(=O)N 2708a_100000749238_100000740010 [0,1,0,0,0,0|3,0,0]=4 1522 B13R0.1 CSCCCNC(=O)NCCC(=O)N 273464a_100000740010_100000749238 [0,1,0,0,0,0|3,0,0]=4 1523 B13R0.1 CSCCCNC(=O)NCCC(=O)N 273464a_100000749238_100000740010 [0,1,0,0,0,0|3,0,0]=4 1524 B13R0.1 CSCCCNC(=O)NCCC(=O)N 512a_100000749238_100000740010 [0,1,0,0,0,0|3,0,0]=4 1525 B13R0.1 CSCCNCC(=O)NCCC(=O)N 2230a_200138414118_100000751147 [0,1,0,0,0,0|3,0,0]=4 1526 B13R0.1 N#CCCCCC(=O)CCC[N+](=O)[O-] 1458a_100016109205_100000211819 [0,1,0,0,0,0|1,0,2]=4 1527 B13R0.1 N#CCCCCC(=O)CCNC(=O)N 1458a_100000181464_100000211819 [0,1,0,0,0,0|2,0,1]=4 1528 B13R0.1 N#CCCCCC(=O)COCC(=O)N 1458a_100011219004_100000211819 [0,1,0,0,0,0|2,0,1]=4 1529 B13R0.1 NC(=NCCC(=O)CCCCCF)N 1458a_100000033030_100000729378 [0,1,0,0,0,0|3,0,0]=4 1530 B13R0.1 NC(=NCCC(=O)CCCCCO)N 1458a_100000033030_100000746330 [0,1,0,0,0,0|3,0,0]=4 1531 B13R0.1 NC(=O)CCCC(=O)CCCCCO 1458a_100102619762_100102525003 [0,1,0,0,0,0|1,0,0]=2 1532 B13R0.1 NC(=O)CCCC(=O)CCOCCO 1458a_100011229844_100102525003 [0,1,0,0,0,0|2,0,0]=3 1533 B13R0.1 NC(=O)CCNC(=O)CCCCCO 240690a_100000740010_100102619762 [0,1,0,0,0,0|2,0,0]=3 1534 B13R0.1 NC(=O)CCNC(=O)CCOCCO 240690a_100000740010_100011229844 [0,1,0,0,0,0|3,0,0]=4 1535 B13R0.1 NC(=O)CCNC(=O)CNCCCF 2230a_200138414118_100011934791 [0,1,0,0,0,0|3,0,0]=4 1536 B13R0.1 NC(=O)CCNC(=O)CNCCCO 2230a_200138414118_100000230001 [0,1,0,0,0,0|3,0,0]=4 1537 B13R0.1 NC(=O)CCNC(=O)NCCCCO 2708a_100000750430_100000740010 [0,1,0,0,0,0|3,0,0]=4 1538 B13R0.1 NC(=O)CCNC(=O)NCCCCO 273464a_100000740010_100000750430 [0,1,0,0,0,0|3,0,0]=4 1539 B13R0.1 NC(=O)CCNC(=O)NCCCCO 273464a_100000750430_100000740010 [0,1,0,0,0,0|3,0,0]=4 1540 B13R0.1 NC(=O)CCNC(=O)NCCCCO 512a_100000750430_100000740010 [0,1,0,0,0,0|3,0,0]=4 1541 B13R0.1 NC(=O)COCC(=O)CCCCCF 1458a_100011219004_100000729378 [0,1,0,0,0,0|2,0,0]=3 1542 B13R0.1 NC(=O)COCC(=O)CCCCCO 1458a_100011219004_100000746330 [0,1,0,0,0,0|2,0,0]=3 1543 B13R0.1 NC(=O)COCC(=O)CCOCCO 1458a_100011219004_100011215305 [0,1,0,0,0,0|3,0,0]=4 1544 B13R0.1 NC(=O)COCC(=O)NCCCCO 240690a_100000750430_100011219004 [0,1,0,0,0,0|3,0,0]=4 1545 B13R0.1 NC(=O)COCC(=O)NCCCCO 527a_100000750430_100011219004 [0,1,0,0,0,0|3,0,0]=4 1546 B13R0.1 NC(=O)CSCC(=O)NCCCCO 240690a_100000750430_100000150265 [0,1,0,0,0,0|3,0,0]=4 1547 B13R0.1 NC(=O)CSCC(=O)NCCCCO 527a_100000750430_100000150265 [0,1,0,0,0,0|3,0,0]=4 1548 B13R0.1 NC(=O)NCCC(=O)CCCCCF 1458a_100000181464_100000729378 [0,1,0,0,0,0|2,0,0]=3 1549 B13R0.1 NC(=O)NCCC(=O)CCCCCO 1458a_100000181464_100000746330 [0,1,0,0,0,0|2,0,0]=3 1550 B13R0.1 NC(=O)NCCC(=O)CCCCCO 1458a_100102619762_200000034859 [0,1,0,0,0,0|2,0,0]=3 1551 B13R0.1 NC(=O)NCCC(=O)CCOCCO 1458a_100000181464_100011215305 [0,1,0,0,0,0|3,0,0]=4 1552 B13R0.1 NC(=O)NCCC(=O)CCOCCO 1458a_100011229844_200000034859 [0,1,0,0,0,0|3,0,0]=4 1553 B13R0.1 NC(=O)NCCC(=O)NCCCCO 240690a_100000750430_100000181464 [0,1,0,0,0,0|3,0,0]=4 1554 B13R0.1 NC(=O)NCCC(=O)NCCCCO 527a_100000750430_100000181464 [0,1,0,0,0,0|3,0,0]=4 1555 B13R0.1 NC(=O)OCCC(=O)CCCCCO 1458a_100102619762_200011214921 [0,1,0,0,0,0|2,0,0]=3 1556 B13R0.1 NC(=O)OCCC(=O)CCOCCO 1458a_100011229844_200011214921 [0,1,0,0,0,0|3,0,0]=4 1557 B13R0.1 O=C(CCC=C(F)F)CCCCCO 1458a_100102619762_200009816681 [0,1,0,0,0,0|2,0,1]=4 1558 B13R0.1 O=C(CCCCCF)CCC[N+](=O)[O-] 1458a_100016109205_100000729378 [0,1,0,0,0,0|1,0,1]=3 1559 B13R0.1 O=C(CCCCCO)CCC[N+](=O)[O-] 1458a_100016109205_100000746330 [0,1,0,0,0,0|1,0,1]=3 1560 B13R0.1 O=C(CCC[N+](=O)[O-])CCOCCO 1458a_100016109205_100011215305 [0,1,0,0,0,0|2,0,1]=4 1561 B13R0.1 O=C(CCC[N+](=O)[O-])NCCCCO 240690a_100000750430_100016109205 [0,1,0,0,0,0|2,0,1]=4 1562 B13R0.1 O=C(CCC[N+](=O)[O-])NCCCCO 527a_100000750430_100016109205 [0,1,0,0,0,0|2,0,1]=4 1563 B13R0.1 [N-]=[N+]=NCCCC(=O)CCCC(=O)N 1458a_100010262590_100102525003 [0,1,0,0,0,0|3,0,0]=4 1564 B13R0.139 CC(=O)SC[C@@H](C)C(=O)CCCCF 1458a_200015407212_100000729493 [0,1,0,0,0,0|3,0,0]=4 1565 B13R0.139 CC(=O)SC[C@@H](C)C(=O)CCCCO 1458a_200015407212_100000210776 [0,1,0,0,0,0|3,0,0]=4 1566 B13R0.139 CCCCCC(=O)C(C)CCC(C)C 1458a_100000212188_100011261404 [0,1,0,0,0,0|2,0,1]=4 1567 B13R0.139 CCCCCC(=O)N(C)CCC(=O)N 11a_100000730477_100000212188 [0,1,0,0,0,0|2,0,0]=3 1568 B13R0.139 CCCCCC(=O)N(C)CCC(=O)N 240690a_100000730477_100000212188 [0,1,0,0,0,0|2,0,0]=3 1569 B13R0.139 CCCCCC(=O)N(C)CCC(=O)N 527a_100000730477_100000212188 [0,1,0,0,0,0|2,0,0]=3 1570 B13R0.139 CCCCCC(=O)[C@H](C)CSC(=O)C 1458a_200015407212_100000210326 [0,1,0,0,0,0|2,0,0]=3 1571 B13R0.139 CCCCNC(=O)C(C)NCC(=O)N 2230a_100000711301_100000735917 [0,1,0,0,0,0|3,0,0]=4 1572 B13R0.139 CCCCNC(=O)C(C)NCC(=O)O 269956a_100016091260_100000735917 [0,1,0,0,0,0|2,0,0]=3 1573 B13R0.139 CCCCNC(=O)C(C)OCC(=O)C 34a_100000211253_100000735917 [0,1,0,0,0,0|3,0,0]=4 1574 B13R0.139 CCCCNC(=O)C(C)SCC(=O)N 62a_100000735917_100000747473 [0,1,0,0,0,0|3,0,0]=4 1575 B13R0.139 CCCCNC(=O)C(C)SCC(=O)N 62a_100000747473_100000735917 [0,1,0,0,0,0|3,0,0]=4 1576 B13R0.139 CCCCNC(=O)C(C)SCC(=O)[O-] 62a_100000735917_100020667443 [0,1,0,0,0,0|2,0,1]=4 1577 B13R0.139 CCCCNC(=O)C(C)SCC(=O)[O-] 62a_100020667443_100000735917 [0,1,0,0,0,0|2,0,1]=4 1578 B13R0.139 CCCCNC(=O)N(C)CCC(=O)N 2708a_100000102301_100000730477 [0,1,0,0,0,0|3,0,0]=4 1579 B13R0.139 CCCCNC(=O)N(C)CCC(=O)N 273464a_100000102301_100000730477 [0,1,0,0,0,0|3,0,0]=4 1580 B13R0.139 CCCCNC(=O)[C@H](C)CSC(=O)C 11a_100000102301_200015407212 [0,1,0,0,0,0|3,0,0]=4 1581 B13R0.139 CCCCNC(=O)[C@H](C)CSC(=O)C 1626a_100000102301_200015407212 [0,1,0,0,0,0|3,0,0]=4 1582 B13R0.139 CCCCNC(=O)[C@H](C)CSC(=O)C 240690a_100000102301_200015407212 [0,1,0,0,0,0|3,0,0]=4 1583 B13R0.139 CCCCNC(=O)[C@H](C)CSC(=O)C 527a_100000102301_200015407212 [0,1,0,0,0,0|3,0,0]=4 1584 B13R0.139 CCCCOC(=O)C(C)NCC(=O)N 2230a_100000711301_100000759602 [0,1,0,0,0,0|3,0,0]=4 1585 B13R0.139 CCCCOC(=O)C(C)NCC(=O)O 269956a_100016091260_100000759602 [0,1,0,0,0,0|2,0,0]=3 1586 B13R0.139 CCCCOC(=O)C(C)OCC(=O)C 34a_100000211253_100000759602 [0,1,0,0,0,0|3,0,0]=4 1587 B13R0.139 CCCCOC(=O)C(C)OCC(=O)N 34a_100000038973_100000187820 [0,1,0,0,0,0|3,0,0]=4 1588 B13R0.139 CCCCOC(=O)C(C)OCC(=O)N 7a_100000038973_100000187820 [0,1,0,0,0,0|3,0,0]=4 1589 B13R0.139 CCCCOC(=O)C(C)OCC(=O)[O-] 34a_100000038973_100020667443 [0,1,0,0,0,0|2,0,1]=4 1590 B13R0.139 CCCCOC(=O)C(C)SCC(=O)N 62a_100000747473_100000759602 [0,1,0,0,0,0|3,0,0]=4 1591 B13R0.139 CCCCOC(=O)C(C)SCC(=O)N 62a_100000759602_100000747473 [0,1,0,0,0,0|3,0,0]=4 1592 B13R0.139 CCCCOC(=O)C(C)SCC(=O)[O-] 62a_100000759602_100020667443 [0,1,0,0,0,0|2,0,1]=4 1593 B13R0.139 CCCCOC(=O)C(C)SCC(=O)[O-] 62a_100020667443_100000759602 [0,1,0,0,0,0|2,0,1]=4 1594 B13R0.139 CCCOCC(=O)N(C)CCC(=O)N 11a_100000730477_100000745993 [0,1,0,0,0,0|3,0,0]=4 1595 B13R0.139 CCCOCC(=O)N(C)CCC(=O)N 240690a_100000730477_100000745993 [0,1,0,0,0,0|3,0,0]=4 1596 B13R0.139 CCCOCC(=O)N(C)CCC(=O)N 527a_100000730477_100000745993 [0,1,0,0,0,0|3,0,0]=4 1597 B13R0.139 CCCSCC(=O)N(C)CCC(=O)N 11a_100000730477_100000217233 [0,1,0,0,0,0|3,0,0]=4 1598 B13R0.139 CCCSCC(=O)N(C)CCC(=O)N 240690a_100000730477_100000217233 [0,1,0,0,0,0|3,0,0]=4 1599 B13R0.139 CCCSCC(=O)N(C)CCC(=O)N 527a_100000730477_100000217233 [0,1,0,0,0,0|3,0,0]=4 1600 B13R0.139 CCOCCC(=O)N(C)CCC(=O)N 11a_100000730477_100000749530 [0,1,0,0,0,0|3,0,0]=4 1601 B13R0.139 CCOCCC(=O)N(C)CCC(=O)N 240690a_100000730477_100000749530 [0,1,0,0,0,0|3,0,0]=4 1602 B13R0.139 CCOCCC(=O)N(C)CCC(=O)N 527a_100000730477_100000749530 [0,1,0,0,0,0|3,0,0]=4 1603 B13R0.139 CCOCCC(=O)[C@H](C)CSC(=O)C 1458a_200015407212_100011215890 [0,1,0,0,0,0|3,0,0]=4 1604 B13R0.139 CCSCCC(=O)N(C)CCC(=O)N 11a_100000730477_100000230768 [0,1,0,0,0,0|3,0,0]=4 1605 B13R0.139 CCSCCC(=O)N(C)CCC(=O)N 240690a_100000730477_100000230768 [0,1,0,0,0,0|3,0,0]=4 1606 B13R0.139 CCSCCC(=O)N(C)CCC(=O)N 527a_100000730477_100000230768 [0,1,0,0,0,0|3,0,0]=4 1607 B13R0.139 CCSCCC(=O)[C@H](C)CSC(=O)C 1458a_200015407212_100000757381 [0,1,0,0,0,0|3,0,0]=4 1608 B13R0.139 COCCCC(=O)N(C)CCC(=O)N 11a_100000730477_100000741012 [0,1,0,0,0,0|3,0,0]=4 1609 B13R0.139 COCCCC(=O)N(C)CCC(=O)N 240690a_100000730477_100000741012 [0,1,0,0,0,0|3,0,0]=4 1610 B13R0.139 COCCCC(=O)N(C)CCC(=O)N 527a_100000730477_100000741012 [0,1,0,0,0,0|3,0,0]=4 1611 B13R0.139 COCCCC(=O)[C@H](C)CSC(=O)C 1458a_200015407212_100000740836 [0,1,0,0,0,0|3,0,0]=4 1612 B13R0.139 COCCNC(=O)C(C)NCC(=O)O 269956a_100016091260_100000230274 [0,1,0,0,0,0|3,0,0]=4 1613 B13R0.139 CSCCCC(=O)N(C)CCC(=O)N 11a_100000730477_100000173376 [0,1,0,0,0,0|3,0,0]=4 1614 B13R0.139 CSCCCC(=O)N(C)CCC(=O)N 240690a_100000730477_100000173376 [0,1,0,0,0,0|3,0,0]=4 1615 B13R0.139 CSCCCC(=O)N(C)CCC(=O)N 527a_100000730477_100000173376 [0,1,0,0,0,0|3,0,0]=4 1616 B13R0.153 CCCCCC(CCCC(=O)[O-])OC 7a_100020618878_200000210301 [0,1,0,0,0,0|0,0,3]=4 1617 B13R0.153 CCCCCC(CCCC(=O)[O-])O[13CH3] 7a_100020618878_200025704644 [0,1,0,0,0,0|0,0,3]=4 1618 B13R0.194 C#CCCCC(=O)CCCC(=O)NC 1458a_100000690238_100000741757 [0,1,0,0,0,0|1,0,2]=4 1619 B13R0.194 C#CCCCC(=O)CCCC(=O)OC 1458a_100000239890_100000731252 [0,1,0,0,0,0|0,0,2]=3 1620 B13R0.194 C#CCCCC(=O)CCCC(=O)OC 1458a_100000690238_100011218270 [0,1,0,0,0,0|0,0,2]=3 1621 B13R0.194 C#CCCCC(=O)CSCC(=O)OC 1458a_100000191316_100000731252 [0,1,0,0,0,0|1,0,2]=4 1622 B13R0.194 C#CCCCC(=O)NCCC(=O)OC 188690a_100000683876_100000690238 [0,1,0,0,0,0|1,0,2]=4 1623 B13R0.194 C#CCCNC(=O)CCCC(=O)OC 11a_100000755551_100000239890 [0,1,0,0,0,0|1,0,2]=4 1624 B13R0.194 C#CCCNC(=O)CCCC(=O)OC 1626a_100000755551_100000239890 [0,1,0,0,0,0|1,0,2]=4 1625 B13R0.194 C#CCCNC(=O)CCCC(=O)OC 240690a_100000755551_100000239890 [0,1,0,0,0,0|1,0,2]=4 1626 B13R0.194 C#CCCNC(=O)CCCC(=O)OC 527a_100000755551_100000239890 [0,1,0,0,0,0|1,0,2]=4 1627 B13R0.194 C#CCOCC(=O)CCCC(=O)OC 1458a_100011251226_100011218270 [0,1,0,0,0,0|1,0,2]=4 1628 B13R0.194 C=C(C#N)CSCC(=O)CCCCC 62a_200012276598_100000694840 [0,1,0,0,0,0|3,0,0]=4 1629 B13R0.194 C=CC(=O)OCCC(=O)CCCCC 1458a_100000065099_100000210326 [0,1,0,0,0,0|2,0,0]=3 1630 B13R0.194 C=CC(=O)OCCC(=O)CCCCC 1458a_100000212188_100009813456 [0,1,0,0,0,0|2,0,0]=3 1631 B13R0.194 C=CC(=O)OCCC(=O)CCCCF 1458a_100000065099_100000729493 [0,1,0,0,0,0|3,0,0]=4 1632 B13R0.194 C=CC(=O)OCCC(=O)CCCCO 1458a_100000065099_100000210776 [0,1,0,0,0,0|3,0,0]=4 1633 B13R0.194 C=CC(=O)OCCC(=O)CCCCO 1458a_100000695505_100009813456 [0,1,0,0,0,0|3,0,0]=4 1634 B13R0.194 C=CC(=O)OCCC(=O)CCCOC 1458a_100000065099_100000740836 [0,1,0,0,0,0|3,0,0]=4 1635 B13R0.194 C=CC(=O)OCCC(=O)CCCOC 1458a_100000741012_100009813456 [0,1,0,0,0,0|3,0,0]=4 1636 B13R0.194 C=CC(=O)OCCC(=O)CCCSC 1458a_100000173376_100009813456 [0,1,0,0,0,0|3,0,0]=4 1637 B13R0.194 C=CC(=O)OCCC(=O)CCOCC 1458a_100000065099_100011215890 [0,1,0,0,0,0|3,0,0]=4 1638 B13R0.194 C=CC(=O)OCCC(=O)CCOCC 1458a_100000749530_100009813456 [0,1,0,0,0,0|3,0,0]=4 1639 B13R0.194 C=CC(=O)OCCC(=O)CCSCC 1458a_100000065099_100000757381 [0,1,0,0,0,0|3,0,0]=4 1640 B13R0.194 C=CC(=O)OCCC(=O)CCSCC 1458a_100000230768_100009813456 [0,1,0,0,0,0|3,0,0]=4 1641 B13R0.194 C=CC(=O)OCCC(=O)COCCC 1458a_100000745993_100009813456 [0,1,0,0,0,0|3,0,0]=4 1642 B13R0.194 C=CC(=O)OCCC(=O)CSCCC 1458a_100000217233_100009813456 [0,1,0,0,0,0|3,0,0]=4 1643 B13R0.194 C=CC(=O)OCCC(=O)NCCCC 240690a_100000102301_100000065099 [0,1,0,0,0,0|3,0,0]=4 1644 B13R0.194 C=CC(O)CSCC(=O)CCCCC 62a_100000730141_200012276598 [0,1,0,0,0,0|2,0,1]=4 1645 B13R0.194 C=CC(O)CSCC(=O)CCCCC 62a_200012276598_100000730141 [0,1,0,0,0,0|2,0,1]=4 1646 B13R0.194 C=CCCCC(=O)CCCC(=O)NC 1458a_100000766728_100000741757 [0,1,0,0,0,0|1,0,2]=4 1647 B13R0.194 C=CCCCC(=O)CCCC(=O)OC 1458a_100000239890_100000757094 [0,1,0,0,0,0|0,0,2]=3 1648 B13R0.194 C=CCCCC(=O)CCCC(=O)OC 1458a_100000766728_100011218270 [0,1,0,0,0,0|0,0,2]=3 1649 B13R0.194 C=CCCCC(=O)CSCC(=O)OC 1458a_100000191316_100000757094 [0,1,0,0,0,0|1,0,2]=4 1650 B13R0.194 C=CCCCC(=O)NCCC(=O)OC 188690a_100000683876_100000766728 [0,1,0,0,0,0|1,0,2]=4 1651 B13R0.194 C=CCCNC(=O)CCCC(=O)OC 11a_100015191253_100000239890 [0,1,0,0,0,0|1,0,2]=4 1652 B13R0.194 C=CCCNC(=O)CCCC(=O)OC 1626a_100015191253_100000239890 [0,1,0,0,0,0|1,0,2]=4 1653 B13R0.194 C=CCCNC(=O)CCCC(=O)OC 240690a_100015191253_100000239890 [0,1,0,0,0,0|1,0,2]=4 1654 B13R0.194 C=CCCNC(=O)CCCC(=O)OC 527a_100015191253_100000239890 [0,1,0,0,0,0|1,0,2]=4 1655 B13R0.194 C=CCSCC(=O)CCCC(=O)OC 1458a_100000230395_100011218270 [0,1,0,0,0,0|1,0,2]=4 1656 B13R0.194 C=COCCC(=O)CCCC(=O)OC 1458a_100000239890_100000039644 [0,1,0,0,0,0|1,0,2]=4 1657 B13R0.194 CC#CCNC(=O)CCCC(=O)OC 11a_100000685387_100000239890 [0,1,0,0,0,0|1,0,2]=4 1658 B13R0.194 CC#CCNC(=O)CCCC(=O)OC 1626a_100000685387_100000239890 [0,1,0,0,0,0|1,0,2]=4 1659 B13R0.194 CC#CCNC(=O)CCCC(=O)OC 527a_100000685387_100000239890 [0,1,0,0,0,0|1,0,2]=4 1660 B13R0.194 CC/C=C/CC(=O)CCCC(=O)NC 1458a_100016274230_100000741757 [0,1,0,0,0,0|1,0,2]=4 1661 B13R0.194 CC/C=C/CC(=O)CCCC(=O)OC 1458a_100016274230_100011218270 [0,1,0,0,0,0|0,0,2]=3 1662 B13R0.194 CC/C=C/CC(=O)NCCC(=O)OC 188690a_100000683876_100016274230 [0,1,0,0,0,0|1,0,2]=4 1663 B13R0.194 CC/C=C\CC(=O)CCCC(=O)OC 1458a_100000239890_100103147603 [0,1,0,0,0,0|0,0,2]=3 1664 B13R0.194 CC/C=C\CC(=O)CSCC(=O)OC 1458a_100000191316_100103147603 [0,1,0,0,0,0|1,0,2]=4 1665 B13R0.194 CCC#CCC(=O)CCCC(=O)OC 1458a_100000239890_100009813939 [0,1,0,0,0,0|0,0,2]=3 1666 B13R0.194 CCC#CCC(=O)CSCC(=O)OC 1458a_100000191316_100009813939 [0,1,0,0,0,0|1,0,2]=4 1667 B13R0.194 CCCC#CC(=O)CCCC(=O)NC 1458a_200011218047_100000741757 [0,1,0,0,0,0|1,0,2]=4 1668 B13R0.194 CCCC#CC(=O)CCCC(=O)OC 1458a_200011218047_100011218270 [0,1,0,0,0,0|0,0,2]=3 1669 B13R0.194 CCCC=CC(=O)CCCC(=O)NC 1458a_100000212230_100000741757 [0,1,0,0,0,0|1,0,2]=4 1670 B13R0.194 CCCC=CC(=O)CCCC(=O)OC 1458a_100000212230_100011218270 [0,1,0,0,0,0|0,0,2]=3 1671 B13R0.194 CCCC=CC(=O)NCCC(=O)OC 188690a_100000683876_100000212230 [0,1,0,0,0,0|1,0,2]=4 1672 B13R0.194 CCCCCC(=O)CCCC(=O)NC 1458a_100000212188_100000741757 [0,1,0,0,0,0|1,0,0]=2 1673 B13R0.194 CCCCCC(=O)CCCC(=O)OC 1458a_100000212188_100011218270 [0,1,0,0,0,0|0,0,0]=1 1674 B13R0.194 CCCCCC(=O)CCCC(=O)OC 1458a_100000239890_100000210326 [0,1,0,0,0,0|0,0,0]=1 1675 B13R0.194 CCCCCC(=O)CCCN(C)CC 1458a_100000212188_100015186262 [0,1,0,0,0,0|3,0,0]=4 1676 B13R0.194 CCCCCC(=O)CCCN(C)N=O 1458a_200000076914_100000210326 [0,1,0,0,0,0|2,0,0]=3 1677 B13R0.194 CCCCCC(=O)CCOC(=O)NC 1458a_100000212188_200011997002 [0,1,0,0,0,0|2,0,0]=3 1678 B13R0.194 CCCCCC(=O)CNCC(=O)NC 2230a_100000693194_200012276598 [0,1,0,0,0,0|2,0,0]=3 1679 B13R0.194 CCCCCC(=O)CNCC(C)CO 34a_100000744482_200012276598 [0,1,0,0,0,0|2,0,1]=4 1680 B13R0.194 CCCCCC(=O)CNCC(O)CC 2230a_100011218483_200012276598 [0,1,0,0,0,0|2,0,1]=4 1681 B13R0.194 CCCCCC(=O)CNC[C@@H](C)OC 2230a_100020591295_200012276598 [0,1,0,0,0,0|2,0,1]=4 1682 B13R0.194 CCCCCC(=O)CNC[C@@H](F)CO 34a_100015665980_200012276598 [0,1,0,0,0,0|2,0,1]=4 1683 B13R0.194 CCCCCC(=O)CNC[C@H](O)CO 2230a_100020644852_200012276598 [0,1,0,0,0,0|1,0,2]=4 1684 B13R0.194 CCCCCC(=O)COCC(=O)CC 34a_100000725409_200012276598 [0,1,0,0,0,0|2,0,0]=3 1685 B13R0.194 CCCCCC(=O)COCC(=O)NC 34a_100000750040_200012276598 [0,1,0,0,0,0|2,0,0]=3 1686 B13R0.194 CCCCCC(=O)COCC(C)OC 34a_100000690652_200012276598 [0,1,0,0,0,0|2,0,1]=4 1687 B13R0.194 CCCCCC(=O)CSCC(=O)CC 62a_100000747405_200012276598 [0,1,0,0,0,0|2,0,0]=3 1688 B13R0.194 CCCCCC(=O)CSCC(=O)CC 62a_200012276598_100000747405 [0,1,0,0,0,0|2,0,0]=3 1689 B13R0.194 CCCCCC(=O)CSCC(=O)NC 62a_100000183359_200012276598 [0,1,0,0,0,0|2,0,0]=3 1690 B13R0.194 CCCCCC(=O)CSCC(=O)NC 62a_200012276598_100000183359 [0,1,0,0,0,0|2,0,0]=3 1691 B13R0.194 CCCCCC(=O)CSCC(=O)OC 1458a_100000191316_100000210326 [0,1,0,0,0,0|1,0,0]=2 1692 B13R0.194 CCCCCC(=O)CSCC(=O)OC 62a_100000747449_200012276598 [0,1,0,0,0,0|1,0,0]=2 1693 B13R0.194 CCCCCC(=O)CSCC(=O)OC 62a_200012276598_100000747449 [0,1,0,0,0,0|1,0,0]=2 1694 B13R0.194 CCCCCC(=O)CSCC(O)CC 62a_100011218378_200012276598 [0,1,0,0,0,0|2,0,1]=4 1695 B13R0.194 CCCCCC(=O)CSCC(O)CC 62a_200012276598_100011218378 [0,1,0,0,0,0|2,0,1]=4 1696 B13R0.194 CCCCCC(=O)CSCC(O)CO 62a_100011219619_200012276598 [0,1,0,0,0,0|1,0,2]=4 1697 B13R0.194 CCCCCC(=O)CSCC(O)CO 62a_200012276598_100011219619 [0,1,0,0,0,0|1,0,2]=4 1698 B13R0.194 CCCCCC(=O)CSC[C@@H](C)CO 62a_100000059175_200012276598 [0,1,0,0,0,0|2,0,1]=4 1699 B13R0.194 CCCCCC(=O)CSC[C@@H](C)CO 62a_200012276598_100000059175 [0,1,0,0,0,0|2,0,1]=4 1700 B13R0.194 CCCCCC(=O)CSC[C@@H](O)CF 62a_100015614560_200012276598 [0,1,0,0,0,0|2,0,1]=4 1701 B13R0.194 CCCCCC(=O)CSC[C@@H](O)CF 62a_200012276598_100015614560 [0,1,0,0,0,0|2,0,1]=4 1702 B13R0.194 CCCCCC(=O)CSC[C@@H](O)CO 62a_100009815848_200012276598 [0,1,0,0,0,0|1,0,2]=4 1703 B13R0.194 CCCCCC(=O)CSC[C@@H](O)CO 62a_200012276598_100009815848 [0,1,0,0,0,0|1,0,2]=4 1704 B13R0.194 CCCCCC(=O)NCCC(=O)NC 11a_100000738227_100000212188 [0,1,0,0,0,0|2,0,0]=3 1705 B13R0.194 CCCCCC(=O)NCCC(=O)NC 240690a_100000738227_100000212188 [0,1,0,0,0,0|2,0,0]=3 1706 B13R0.194 CCCCCC(=O)NCCC(=O)NC 527a_100000738227_100000212188 [0,1,0,0,0,0|2,0,0]=3 1707 B13R0.194 CCCCCC(=O)NCCC(=O)OC 188690a_100000683876_100000212188 [0,1,0,0,0,0|1,0,0]=2 1708 B13R0.194 CCCCCC(=O)NCCC(C)CO 240690a_106354213184_100000212188 [0,1,0,0,0,0|2,0,1]=4 1709 B13R0.194 CCCCCC(=O)NCCC(C)CO 527a_106354213184_100000212188 [0,1,0,0,0,0|2,0,1]=4 1710 B13R0.194 CCCCCC(=O)NN=CC(=O)OC 4a_100000189784_200011823558 [0,1,0,0,0,0|2,0,1]=4 1711 B13R0.194 CCCCCC(C)NCCC(=O)OC 2230a_100000211957_100000204255 [0,1,0,0,0,0|2,0,1]=4 1712 B13R0.194 CCCCCC(C)OCCC(=O)OC 34a_100011215632_100000742370 [0,1,0,0,0,0|2,0,1]=4 1713 B13R0.194 CCCCCC(C)OCCC(=O)OC 7a_100011215632_100000204255 [0,1,0,0,0,0|2,0,1]=4 1714 B13R0.194 CCCCCC(C)SCCC(=O)OC 62a_100000204255_200011218191 [0,1,0,0,0,0|2,0,1]=4 1715 B13R0.194 CCCCCC(C)SCCC(=O)OC 62a_200011218191_100000204255 [0,1,0,0,0,0|2,0,1]=4 1716 B13R0.194 CCCCCC(O)CCCC(=O)NC 1626a_100102657272_100020618878 [0,1,0,0,0,0|1,0,2]=4 1717 B13R0.194 CCCCCC(O)CCCC(=O)NC 240690a_100102657272_100020618878 [0,1,0,0,0,0|1,0,2]=4 1718 B13R0.194 CCCCCC(O)CCCC(=O)NC 527a_100102657272_100020618878 [0,1,0,0,0,0|1,0,2]=4 1719 B13R0.194 CCCCCN(C)CCCC(=O)NC 2230a_100000223495_100000741757 [0,1,0,0,0,0|3,0,0]=4 1720 B13R0.194 CCCCCN(C)CCCC(=O)NC 269982a_100000223495_100000741757 [0,1,0,0,0,0|3,0,0]=4 1721 B13R0.194 CCCCCN(C)CCCC(=O)OC 2230a_100000223495_100011218270 [0,1,0,0,0,0|2,0,0]=3 1722 B13R0.194 CCCCCN(C)CCCC(=O)OC 269982a_100000223495_100011218270 [0,1,0,0,0,0|2,0,0]=3 1723 B13R0.194 CCCCCN(C)CCCC(=O)OC 269982a_100000739225_100000210215 [0,1,0,0,0,0|2,0,0]=3 1724 B13R0.194 CCCCNC(=O)CCCC(=O)OC 11a_100000102301_100000239890 [0,1,0,0,0,0|1,0,0]=2 1725 B13R0.194 CCCCNC(=O)CCCC(=O)OC 1626a_100000102301_100000239890 [0,1,0,0,0,0|1,0,0]=2 1726 B13R0.194 CCCCNC(=O)CCCC(=O)OC 240690a_100000102301_100000239890 [0,1,0,0,0,0|1,0,0]=2 1727 B13R0.194 CCCCNC(=O)CCCC(=O)OC 527a_100000102301_100000239890 [0,1,0,0,0,0|1,0,0]=2 1728 B13R0.194 CCCCNC(=O)CCCN(C)N=O 11a_100000102301_200000076914 [0,1,0,0,0,0|3,0,0]=4 1729 B13R0.194 CCCCNC(=O)CCCN(C)N=O 1626a_100000102301_200000076914 [0,1,0,0,0,0|3,0,0]=4 1730 B13R0.194 CCCCNC(=O)CCCN(C)N=O 240690a_100000102301_200000076914 [0,1,0,0,0,0|3,0,0]=4 1731 B13R0.194 CCCCNC(=O)CCCN(C)N=O 527a_100000102301_200000076914 [0,1,0,0,0,0|3,0,0]=4 1732 B13R0.194 CCCCNC(=O)CNCC(=O)NC 2230a_100000693194_100000182744 [0,1,0,0,0,0|3,0,0]=4 1733 B13R0.194 CCCCNC(=O)COCC(=O)CC 34a_100000725409_100000182744 [0,1,0,0,0,0|3,0,0]=4 1734 B13R0.194 CCCCNC(=O)COCC(=O)NC 34a_100000750040_100000182744 [0,1,0,0,0,0|3,0,0]=4 1735 B13R0.194 CCCCNC(=O)CSCC(=O)CC 62a_100000182744_100000747405 [0,1,0,0,0,0|3,0,0]=4 1736 B13R0.194 CCCCNC(=O)CSCC(=O)CC 62a_100000747405_100000182744 [0,1,0,0,0,0|3,0,0]=4 1737 B13R0.194 CCCCNC(=O)CSCC(=O)NC 62a_100000182744_100000183359 [0,1,0,0,0,0|3,0,0]=4 1738 B13R0.194 CCCCNC(=O)CSCC(=O)NC 62a_100000183359_100000182744 [0,1,0,0,0,0|3,0,0]=4 1739 B13R0.194 CCCCNC(=O)CSCC(=O)OC 11a_100000102301_100000191316 [0,1,0,0,0,0|2,0,0]=3 1740 B13R0.194 CCCCNC(=O)CSCC(=O)OC 1626a_100000102301_100000191316 [0,1,0,0,0,0|2,0,0]=3 1741 B13R0.194 CCCCNC(=O)CSCC(=O)OC 240690a_100000102301_100000191316 [0,1,0,0,0,0|2,0,0]=3 1742 B13R0.194 CCCCNC(=O)CSCC(=O)OC 62a_100000182744_100000747449 [0,1,0,0,0,0|2,0,0]=3 1743 B13R0.194 CCCCNC(=O)CSCC(=O)OC 62a_100000747449_100000182744 [0,1,0,0,0,0|2,0,0]=3 1744 B13R0.194 CCCCNC(=O)NCCC(=O)NC 2708a_100000102301_100000738227 [0,1,0,0,0,0|3,0,0]=4 1745 B13R0.194 CCCCNC(=O)NCCC(=O)NC 273464a_100000102301_100000738227 [0,1,0,0,0,0|3,0,0]=4 1746 B13R0.194 CCCCNC(=O)NCCC(=O)NC 273464a_100000738227_100000102301 [0,1,0,0,0,0|3,0,0]=4 1747 B13R0.194 CCCCNC(=O)NCCC(=O)NC 512a_100000102301_100000738227 [0,1,0,0,0,0|3,0,0]=4 1748 B13R0.194 CCCCNC(=O)NCCC(=O)NC 512a_100000738227_100000102301 [0,1,0,0,0,0|3,0,0]=4 1749 B13R0.194 CCCCOC(=O)CNCC(=O)NC 2230a_100000693194_100000211628 [0,1,0,0,0,0|3,0,0]=4 1750 B13R0.194 CCCCOC(=O)COCC(=O)CC 34a_100000725409_100000211628 [0,1,0,0,0,0|3,0,0]=4 1751 B13R0.194 CCCCOC(=O)COCC(=O)NC 34a_100000750040_100000211628 [0,1,0,0,0,0|3,0,0]=4 1752 B13R0.194 CCCCOC(=O)CSCC(=O)CC 62a_100000211628_100000747405 [0,1,0,0,0,0|3,0,0]=4 1753 B13R0.194 CCCCOC(=O)CSCC(=O)CC 62a_100000747405_100000211628 [0,1,0,0,0,0|3,0,0]=4 1754 B13R0.194 CCCCOC(=O)CSCC(=O)NC 62a_100000183359_100000211628 [0,1,0,0,0,0|3,0,0]=4 1755 B13R0.194 CCCCOC(=O)CSCC(=O)NC 62a_100000211628_100000183359 [0,1,0,0,0,0|3,0,0]=4 1756 B13R0.194 CCCCOC(=O)CSCC(=O)OC 62a_100000211628_100000747449 [0,1,0,0,0,0|2,0,0]=3 1757 B13R0.194 CCCCOC(=O)CSCC(=O)OC 62a_100000747449_100000211628 [0,1,0,0,0,0|2,0,0]=3 1758 B13R0.194 CCCNN=C(C)CCCC(=O)OC 4a_100000740057_100000015542 [0,1,0,0,0,0|3,0,0]=4 1759 B13R0.194 CCCNNC(=O)CCCC(=O)OC 22a_100000740057_100000239890 [0,1,0,0,0,0|2,0,0]=3 1760 B13R0.194 CCCNNC(=O)CSCC(=O)OC 22a_100000740057_100000191316 [0,1,0,0,0,0|3,0,0]=4 1761 B13R0.194 CCCOCC(=O)CCCC(=O)NC 1458a_100000745993_100000741757 [0,1,0,0,0,0|2,0,0]=3 1762 B13R0.194 CCCOCC(=O)CCCC(=O)OC 1458a_100000745993_100011218270 [0,1,0,0,0,0|1,0,0]=2 1763 B13R0.194 CCCOCC(=O)CCOC(=O)NC 1458a_100000745993_200011997002 [0,1,0,0,0,0|3,0,0]=4 1764 B13R0.194 CCCOCC(=O)NCCC(=O)NC 11a_100000738227_100000745993 [0,1,0,0,0,0|3,0,0]=4 1765 B13R0.194 CCCOCC(=O)NCCC(=O)NC 240690a_100000738227_100000745993 [0,1,0,0,0,0|3,0,0]=4 1766 B13R0.194 CCCOCC(=O)NCCC(=O)NC 527a_100000738227_100000745993 [0,1,0,0,0,0|3,0,0]=4 1767 B13R0.194 CCCOCC(=O)NCCC(=O)OC 188690a_100000683876_100000745993 [0,1,0,0,0,0|2,0,0]=3 1768 B13R0.194 CCCOCC(=O)NCCC(=O)OC 34a_100000210258_100000230212 [0,1,0,0,0,0|2,0,0]=3 1769 B13R0.194 CCCSCC(=O)CCCC(=O)NC 1458a_100000217233_100000741757 [0,1,0,0,0,0|2,0,0]=3 1770 B13R0.194 CCCSCC(=O)CCCC(=O)OC 1458a_100000217233_100011218270 [0,1,0,0,0,0|1,0,0]=2 1771 B13R0.194 CCCSCC(=O)CCOC(=O)NC 1458a_100000217233_200011997002 [0,1,0,0,0,0|3,0,0]=4 1772 B13R0.194 CCCSCC(=O)NCCC(=O)NC 11a_100000738227_100000217233 [0,1,0,0,0,0|3,0,0]=4 1773 B13R0.194 CCCSCC(=O)NCCC(=O)NC 240690a_100000738227_100000217233 [0,1,0,0,0,0|3,0,0]=4 1774 B13R0.194 CCCSCC(=O)NCCC(=O)NC 527a_100000738227_100000217233 [0,1,0,0,0,0|3,0,0]=4 1775 B13R0.194 CCCSCC(=O)NCCC(=O)OC 188690a_100000683876_100000217233 [0,1,0,0,0,0|2,0,0]=3 1776 B13R0.194 CCCSCC(=O)NCCC(=O)OC 62a_100000210303_100000230212 [0,1,0,0,0,0|2,0,0]=3 1777 B13R0.194 CCCSCC(=O)NCCC(=O)OC 62a_100000230212_100000210303 [0,1,0,0,0,0|2,0,0]=3 1778 B13R0.194 CCOC=CC(=O)CCCC(=O)OC 1458a_100016266692_100011218270 [0,1,0,0,0,0|1,0,2]=4 1779 B13R0.194 CCOCCC(=O)CCCC(=O)NC 1458a_100000749530_100000741757 [0,1,0,0,0,0|2,0,0]=3 1780 B13R0.194 CCOCCC(=O)CCCC(=O)OC 1458a_100000239890_100011215890 [0,1,0,0,0,0|1,0,0]=2 1781 B13R0.194 CCOCCC(=O)CCCC(=O)OC 1458a_100000749530_100011218270 [0,1,0,0,0,0|1,0,0]=2 1782 B13R0.194 CCOCCC(=O)CCCN(C)N=O 1458a_200000076914_100011215890 [0,1,0,0,0,0|3,0,0]=4 1783 B13R0.194 CCOCCC(=O)CCOC(=O)NC 1458a_100000749530_200011997002 [0,1,0,0,0,0|3,0,0]=4 1784 B13R0.194 CCOCCC(=O)CSCC(=O)OC 1458a_100000191316_100011215890 [0,1,0,0,0,0|2,0,0]=3 1785 B13R0.194 CCOCCC(=O)NCCC(=O)NC 11a_100000738227_100000749530 [0,1,0,0,0,0|3,0,0]=4 1786 B13R0.194 CCOCCC(=O)NCCC(=O)NC 240690a_100000738227_100000749530 [0,1,0,0,0,0|3,0,0]=4 1787 B13R0.194 CCOCCC(=O)NCCC(=O)NC 527a_100000738227_100000749530 [0,1,0,0,0,0|3,0,0]=4 1788 B13R0.194 CCOCCC(=O)NCCC(=O)OC 188690a_100000683876_100000749530 [0,1,0,0,0,0|2,0,0]=3 1789 B13R0.194 CCOCCN(C)CCCC(=O)OC 269982a_100000739225_100011215890 [0,1,0,0,0,0|3,0,0]=4 1790 B13R0.194 CCSCCC(=O)CCCC(=O)NC 1458a_100000230768_100000741757 [0,1,0,0,0,0|2,0,0]=3 1791 B13R0.194 CCSCCC(=O)CCCC(=O)OC 1458a_100000230768_100011218270 [0,1,0,0,0,0|1,0,0]=2 1792 B13R0.194 CCSCCC(=O)CCCC(=O)OC 1458a_100000239890_100000757381 [0,1,0,0,0,0|1,0,0]=2 1793 B13R0.194 CCSCCC(=O)CCCN(C)N=O 1458a_200000076914_100000757381 [0,1,0,0,0,0|3,0,0]=4 1794 B13R0.194 CCSCCC(=O)CCOC(=O)NC 1458a_100000230768_200011997002 [0,1,0,0,0,0|3,0,0]=4 1795 B13R0.194 CCSCCC(=O)CSCC(=O)OC 1458a_100000191316_100000757381 [0,1,0,0,0,0|2,0,0]=3 1796 B13R0.194 CCSCCC(=O)NCCC(=O)NC 11a_100000738227_100000230768 [0,1,0,0,0,0|3,0,0]=4 1797 B13R0.194 CCSCCC(=O)NCCC(=O)NC 240690a_100000738227_100000230768 [0,1,0,0,0,0|3,0,0]=4 1798 B13R0.194 CCSCCC(=O)NCCC(=O)NC 527a_100000738227_100000230768 [0,1,0,0,0,0|3,0,0]=4 1799 B13R0.194 CCSCCC(=O)NCCC(=O)OC 188690a_100000683876_100000230768 [0,1,0,0,0,0|2,0,0]=3 1800 B13R0.194 CCSCCN(C)CCCC(=O)OC 269982a_100000739225_100000757381 [0,1,0,0,0,0|3,0,0]=4 1801 B13R0.194 CN(CCCC(=O)CCCCF)N=O 1458a_200000076914_100000729493 [0,1,0,0,0,0|3,0,0]=4 1802 B13R0.194 CN(CCCC(=O)CCCCO)N=O 1458a_200000076914_100000210776 [0,1,0,0,0,0|3,0,0]=4 1803 B13R0.194 CNC(=O)CCCC(=O)CCCC#N 1458a_100000075515_100000741757 [0,1,0,0,0,0|2,0,1]=4 1804 B13R0.194 CNC(=O)CCCC(=O)CCCCO 1458a_100000695505_100000741757 [0,1,0,0,0,0|2,0,0]=3 1805 B13R0.194 CNC(=O)CCCC(=O)CCCOC 1458a_100000741012_100000741757 [0,1,0,0,0,0|2,0,0]=3 1806 B13R0.194 CNC(=O)CCCC(=O)CCCSC 1458a_100000173376_100000741757 [0,1,0,0,0,0|2,0,0]=3 1807 B13R0.194 CNC(=O)CCCC(=O)COCCO 1458a_100000708028_100000741757 [0,1,0,0,0,0|3,0,0]=4 1808 B13R0.194 CNC(=O)CCNC(=O)CCCOC 11a_100000738227_100000741012 [0,1,0,0,0,0|3,0,0]=4 1809 B13R0.194 CNC(=O)CCNC(=O)CCCOC 240690a_100000738227_100000741012 [0,1,0,0,0,0|3,0,0]=4 1810 B13R0.194 CNC(=O)CCNC(=O)CCCOC 527a_100000738227_100000741012 [0,1,0,0,0,0|3,0,0]=4 1811 B13R0.194 CNC(=O)CCNC(=O)CCCSC 11a_100000738227_100000173376 [0,1,0,0,0,0|3,0,0]=4 1812 B13R0.194 CNC(=O)CCNC(=O)CCCSC 240690a_100000738227_100000173376 [0,1,0,0,0,0|3,0,0]=4 1813 B13R0.194 CNC(=O)CCNC(=O)CCCSC 527a_100000738227_100000173376 [0,1,0,0,0,0|3,0,0]=4 1814 B13R0.194 CNC(=O)OCCC(=O)CCCCO 1458a_100000695505_200011997002 [0,1,0,0,0,0|3,0,0]=4 1815 B13R0.194 CNC(=O)OCCC(=O)CCCOC 1458a_100000741012_200011997002 [0,1,0,0,0,0|3,0,0]=4 1816 B13R0.194 CNC(=O)OCCC(=O)CCCSC 1458a_100000173376_200011997002 [0,1,0,0,0,0|3,0,0]=4 1817 B13R0.194 COC(=O)CCCC(=O)CC#CCO 1458a_100000239890_200000047223 [0,1,0,0,0,0|1,0,2]=4 1818 B13R0.194 COC(=O)CCCC(=O)CCCC#N 1458a_100000075515_100011218270 [0,1,0,0,0,0|1,0,1]=3 1819 B13R0.194 COC(=O)CCCC(=O)CCCC#N 1458a_100000239890_100000211468 [0,1,0,0,0,0|1,0,1]=3 1820 B13R0.194 COC(=O)CCCC(=O)CCCCF 1458a_100000239890_100000729493 [0,1,0,0,0,0|1,0,0]=2 1821 B13R0.194 COC(=O)CCCC(=O)CCCCO 1458a_100000239890_100000210776 [0,1,0,0,0,0|1,0,0]=2 1822 B13R0.194 COC(=O)CCCC(=O)CCCCO 1458a_100000695505_100011218270 [0,1,0,0,0,0|1,0,0]=2 1823 B13R0.194 COC(=O)CCCC(=O)CCCSC 1458a_100000173376_100011218270 [0,1,0,0,0,0|1,0,0]=2 1824 B13R0.194 COC(=O)CCCC(=O)CCN=[N+]=[N-] 1458a_100000688302_100011218270 [0,1,0,0,0,0|3,0,0]=4 1825 B13R0.194 COC(=O)CCCC(=O)COCCO 1458a_100000708028_100011218270 [0,1,0,0,0,0|2,0,0]=3 1826 B13R0.194 COC(=O)CCCC(=O)CSCC#N 1458a_100000150266_100011218270 [0,1,0,0,0,0|2,0,1]=4 1827 B13R0.194 COC(=O)CCCC(=O)NCCC#N 11a_100000720768_100000239890 [0,1,0,0,0,0|2,0,1]=4 1828 B13R0.194 COC(=O)CCCC(=O)NCCC#N 1626a_100000720768_100000239890 [0,1,0,0,0,0|2,0,1]=4 1829 B13R0.194 COC(=O)CCCC(=O)NCCC#N 240690a_100000720768_100000239890 [0,1,0,0,0,0|2,0,1]=4 1830 B13R0.194 COC(=O)CCCC(=O)NCCC#N 527a_100000720768_100000239890 [0,1,0,0,0,0|2,0,1]=4 1831 B13R0.194 COC(=O)CCCC(=O)NCCCF 11a_100015189416_100000239890 [0,1,0,0,0,0|2,0,0]=3 1832 B13R0.194 COC(=O)CCCC(=O)NCCCF 1626a_100015189416_100000239890 [0,1,0,0,0,0|2,0,0]=3 1833 B13R0.194 COC(=O)CCCC(=O)NCCCF 240690a_100015189416_100000239890 [0,1,0,0,0,0|2,0,0]=3 1834 B13R0.194 COC(=O)CCCC(=O)NCCCF 527a_100015189416_100000239890 [0,1,0,0,0,0|2,0,0]=3 1835 B13R0.194 COC(=O)CCCC(=O)NCCCO 240690a_100000182051_100000239890 [0,1,0,0,0,0|2,0,0]=3 1836 B13R0.194 COC(=O)CCCC(=O)NCCCO 527a_100000182051_100000239890 [0,1,0,0,0,0|2,0,0]=3 1837 B13R0.194 COC(=O)CCCC(=O)NCCSC 11a_100020590264_100000239890 [0,1,0,0,0,0|2,0,0]=3 1838 B13R0.194 COC(=O)CCCC(=O)NCCSC 1626a_100020590264_100000239890 [0,1,0,0,0,0|2,0,0]=3 1839 B13R0.194 COC(=O)CCCC(=O)NCCSC 240690a_100020590264_100000239890 [0,1,0,0,0,0|2,0,0]=3 1840 B13R0.194 COC(=O)CCCC(=O)NCCSC 527a_100020590264_100000239890 [0,1,0,0,0,0|2,0,0]=3 1841 B13R0.194 COC(=O)CCCC(=O)NNCCO 22a_100000210001_100000239890 [0,1,0,0,0,0|3,0,0]=4 1842 B13R0.194 COC(=O)CCCN(C)CCCCF 269982a_100000739225_100000729493 [0,1,0,0,0,0|3,0,0]=4 1843 B13R0.194 COC(=O)CCCN(C)CCCCO 2230a_100000717598_100011218270 [0,1,0,0,0,0|3,0,0]=4 1844 B13R0.194 COC(=O)CCCN(C)CCCCO 269982a_100000717598_100011218270 [0,1,0,0,0,0|3,0,0]=4 1845 B13R0.194 COC(=O)CCCN(C)CCCCO 269982a_100000739225_100000210776 [0,1,0,0,0,0|3,0,0]=4 1846 B13R0.194 COC(=O)CCNC(=O)CCCCO 188690a_100000683876_100000695505 [0,1,0,0,0,0|2,0,0]=3 1847 B13R0.194 COC(=O)CCNC(=O)CCCSC 188690a_100000683876_100000173376 [0,1,0,0,0,0|2,0,0]=3 1848 B13R0.194 COC(=O)CCNC(=O)CNCCF 34a_100000724931_100000230212 [0,1,0,0,0,0|3,0,0]=4 1849 B13R0.194 COC(=O)CCNC(=O)CNCCO 2230a_100016997473_100000230212 [0,1,0,0,0,0|3,0,0]=4 1850 B13R0.194 COC(=O)CCNC(=O)CNCCO 34a_100016990907_100000230212 [0,1,0,0,0,0|3,0,0]=4 1851 B13R0.194 COC(=O)CCNC(=O)COCCBr 34a_100000211926_100000230212 [0,1,0,0,0,0|3,0,0]=4 1852 B13R0.194 COC(=O)CCNC(=O)COCCN 34a_100000210304_100000230212 [0,1,0,0,0,0|3,0,0]=4 1853 B13R0.194 COC(=O)CCNC(=O)COCCO 188690a_100000683876_100000708028 [0,1,0,0,0,0|3,0,0]=4 1854 B13R0.194 COC(=O)CCNC(=O)CSCCF 62a_100000230212_100011217306 [0,1,0,0,0,0|3,0,0]=4 1855 B13R0.194 COC(=O)CCNC(=O)CSCCF 62a_100011217306_100000230212 [0,1,0,0,0,0|3,0,0]=4 1856 B13R0.194 COC(=O)CCNC(=O)CSCCO 62a_100000211926_100000230212 [0,1,0,0,0,0|3,0,0]=4 1857 B13R0.194 COC(=O)CCNC(=O)CSCCO 62a_100000230212_100000211926 [0,1,0,0,0,0|3,0,0]=4 1858 B13R0.194 COC(=O)CCNC(=O)CSCSC 62a_100000230212_100011218213 [0,1,0,0,0,0|3,0,0]=4 1859 B13R0.194 COC(=O)CCNC(=O)CSCSC 62a_100011218213_100000230212 [0,1,0,0,0,0|3,0,0]=4 1860 B13R0.194 COC(=O)CSCC(=O)CCCC#N 1458a_100000191316_100000211468 [0,1,0,0,0,0|2,0,1]=4 1861 B13R0.194 COC(=O)CSCC(=O)CCCCF 1458a_100000191316_100000729493 [0,1,0,0,0,0|2,0,0]=3 1862 B13R0.194 COC(=O)CSCC(=O)CCCCO 1458a_100000191316_100000210776 [0,1,0,0,0,0|2,0,0]=3 1863 B13R0.194 COC(=O)CSCC(=O)NCCCF 11a_100015189416_100000191316 [0,1,0,0,0,0|3,0,0]=4 1864 B13R0.194 COC(=O)CSCC(=O)NCCCF 1626a_100015189416_100000191316 [0,1,0,0,0,0|3,0,0]=4 1865 B13R0.194 COC(=O)CSCC(=O)NCCCF 240690a_100015189416_100000191316 [0,1,0,0,0,0|3,0,0]=4 1866 B13R0.194 COC(=O)CSCC(=O)NCCCO 240690a_100000182051_100000191316 [0,1,0,0,0,0|3,0,0]=4 1867 B13R0.194 COC(=O)CSCC(=O)NCCSC 11a_100020590264_100000191316 [0,1,0,0,0,0|3,0,0]=4 1868 B13R0.194 COC(=O)CSCC(=O)NCCSC 1626a_100020590264_100000191316 [0,1,0,0,0,0|3,0,0]=4 1869 B13R0.194 COC(=O)CSCC(=O)NCCSC 240690a_100020590264_100000191316 [0,1,0,0,0,0|3,0,0]=4 1870 B13R0.194 COCC=CC(=O)CCCC(=O)OC 1458a_100016285016_100011218270 [0,1,0,0,0,0|1,0,2]=4 1871 B13R0.194 COCCCC(=O)CCCC(=O)OC 1458a_100000239890_100000740836 [0,1,0,0,0,0|1,0,0]=2 1872 B13R0.194 COCCCC(=O)CCCC(=O)OC 1458a_100000741012_100011218270 [0,1,0,0,0,0|1,0,0]=2 1873 B13R0.194 COCCCC(=O)CCCN(C)N=O 1458a_200000076914_100000740836 [0,1,0,0,0,0|3,0,0]=4 1874 B13R0.194 COCCCC(=O)CSCC(=O)OC 1458a_100000191316_100000740836 [0,1,0,0,0,0|2,0,0]=3 1875 B13R0.194 COCCCC(=O)NCCC(=O)OC 188690a_100000683876_100000741012 [0,1,0,0,0,0|2,0,0]=3 1876 B13R0.194 COCCCN(C)CCCC(=O)OC 2230a_100000224831_100011218270 [0,1,0,0,0,0|3,0,0]=4 1877 B13R0.194 COCCCN(C)CCCC(=O)OC 269982a_100000224831_100011218270 [0,1,0,0,0,0|3,0,0]=4 1878 B13R0.194 COCCCN(C)CCCC(=O)OC 269982a_100000739225_100000740836 [0,1,0,0,0,0|3,0,0]=4 1879 B13R0.194 COCCNC(=O)CCCC(=O)OC 1626a_100000209980_100000239890 [0,1,0,0,0,0|2,0,0]=3 1880 B13R0.194 COCCNC(=O)CCCC(=O)OC 240690a_100000209980_100000239890 [0,1,0,0,0,0|2,0,0]=3 1881 B13R0.194 COCCNC(=O)CCCC(=O)OC 527a_100000209980_100000239890 [0,1,0,0,0,0|2,0,0]=3 1882 B13R0.194 COCCNC(=O)CNCC(=O)OC 2230a_100000754632_100000747449 [0,1,0,0,0,0|3,0,0]=4 1883 B13R0.194 COCCNC(=O)CSCC(=O)OC 1626a_100000209980_100000191316 [0,1,0,0,0,0|3,0,0]=4 1884 B13R0.194 COCCNC(=O)CSCC(=O)OC 240690a_100000209980_100000191316 [0,1,0,0,0,0|3,0,0]=4 1885 B13R0.194 COCCNC(=O)CSCC(=O)OC 62a_100000183275_100000747449 [0,1,0,0,0,0|3,0,0]=4 1886 B13R0.194 COCCNC(=O)CSCC(=O)OC 62a_100000747449_100000183275 [0,1,0,0,0,0|3,0,0]=4 1887 B13R0.194 COCCOC(=O)CSCC(=O)OC 62a_100000747449_200000040189 [0,1,0,0,0,0|3,0,0]=4 1888 B13R0.194 COCCOC(=O)CSCC(=O)OC 62a_200000040189_100000747449 [0,1,0,0,0,0|3,0,0]=4 1889 B13R0.194 COCSCC(=O)NCCC(=O)OC 62a_100000230212_100000766300 [0,1,0,0,0,0|3,0,0]=4 1890 B13R0.194 COCSCC(=O)NCCC(=O)OC 62a_100000766300_100000230212 [0,1,0,0,0,0|3,0,0]=4 1891 B13R0.196 CCCCCC(=O)CCCC(F)(F)F 1458a_100000212188_100011216173 [0,1,0,0,0,0|2,0,1]=4 1892 B13R0.196 CCCCCC(=O)CCCC(F)(F)F 1458a_100000764234_100000210326 [0,1,0,0,0,0|2,0,1]=4 1893 B13R0.196 CCCCCC(=O)CCCS(=O)(=O)C 1458a_100000212188_100000754308 [0,1,0,0,0,0|1,0,1]=3 1894 B13R0.196 CCCCCC(=O)CCCS(=O)(=O)N 1458a_100000212188_100000750626 [0,1,0,0,0,0|1,0,1]=3 1895 B13R0.196 CCCCCC(=O)CCCS(=O)(=O)N 1458a_100000739357_100000210326 [0,1,0,0,0,0|1,0,1]=3 1896 B13R0.196 CCCCCC(=O)CCCS(=O)(=O)[O-] 1458a_100000212188_100009813499 [0,1,0,0,0,0|1,0,1]=3 1897 B13R0.196 CCCCCC(=O)CCC[N+](C)(C)C 1458a_100000085584_100000210326 [0,1,0,0,0,0|3,0,0]=4 1898 B13R0.196 CCCCCC(=O)CCC[N+](C)(C)C 1458a_100000212188_100016990835 [0,1,0,0,0,0|3,0,0]=4 1899 B13R0.196 CCCCCC(=O)CCC[Si](C)(C)C 1458a_100000212188_100011219597 [0,1,0,0,0,0|2,1,0]=4 1900 B13R0.196 CCCCCC(=O)CCNS(=O)(=O)C 1458a_100000165793_100000210326 [0,1,0,0,0,0|2,0,1]=4 1901 B13R0.196 CCCCCC(=O)CCNS(=O)(=O)C 1458a_100000212188_100000754112 [0,1,0,0,0,0|2,0,1]=4 1902 B13R0.196 CCCCCC(=O)CCOS(=O)(=O)C 1458a_100000212188_200000036756 [0,1,0,0,0,0|2,0,1]=4 1903 B13R0.196 CCCCCC(=O)CNCC(C)(C)O 2230a_100000751335_200012276598 [0,1,0,0,0,0|2,0,1]=4 1904 B13R0.196 CCCCCC(=O)CSCC(C)(C)O 62a_100000764493_200012276598 [0,1,0,0,0,0|2,0,1]=4 1905 B13R0.196 CCCCCC(=O)CSCC(C)(C)O 62a_200012276598_100000764493 [0,1,0,0,0,0|2,0,1]=4 1906 B13R0.196 CCCCCC(=O)CSCS(=O)(=O)N 62a_100000741382_200012276598 [0,1,0,0,0,0|2,0,1]=4 1907 B13R0.196 CCCCCC(=O)CSCS(=O)(=O)N 62a_200012276598_100000741382 [0,1,0,0,0,0|2,0,1]=4 1908 B13R0.196 CCCCCC(=O)CSCS(=O)(=O)[O-] 62a_100009817235_200012276598 [0,1,0,0,0,0|2,0,1]=4 1909 B13R0.196 CCCCCC(=O)CSCS(=O)(=O)[O-] 62a_200012276598_100009817235 [0,1,0,0,0,0|2,0,1]=4 1910 B13R0.196 CCCCCC(=O)NCCC(C)(C)O 1626a_100000707701_100000212188 [0,1,0,0,0,0|2,0,1]=4 1911 B13R0.196 CCCCCC(=O)NCCC(C)(C)O 527a_100000707701_100000212188 [0,1,0,0,0,0|2,0,1]=4 1912 B13R0.196 CCCCCC(=O)NCCS(=O)(=O)C 11a_100000740961_100000212188 [0,1,0,0,0,0|2,0,1]=4 1913 B13R0.196 CCCCCC(=O)NCCS(=O)(=O)C 1626a_100000740961_100000212188 [0,1,0,0,0,0|2,0,1]=4 1914 B13R0.196 CCCCCC(=O)NCCS(=O)(=O)C 240690a_100000740961_100000212188 [0,1,0,0,0,0|2,0,1]=4 1915 B13R0.196 CCCCCC(=O)NCCS(=O)(=O)C 527a_100000740961_100000212188 [0,1,0,0,0,0|2,0,1]=4 1916 B13R0.196 CCCCCC(=O)NCCS(=O)(=O)N 240690a_100000738205_100000212188 [0,1,0,0,0,0|2,0,1]=4 1917 B13R0.196 CCCCCC(=O)NCCS(=O)(=O)N 527a_100000738205_100000212188 [0,1,0,0,0,0|2,0,1]=4 1918 B13R0.196 CCCCNC(=O)CCCS(=O)(=O)N 240690a_100000102301_100000739357 [0,1,0,0,0,0|2,0,1]=4 1919 B13R0.196 CCCOCC(=O)CCCS(=O)(=O)C 1458a_100000745993_100000754308 [0,1,0,0,0,0|2,0,1]=4 1920 B13R0.196 CCCOCC(=O)CCCS(=O)(=O)N 1458a_100000745993_100000750626 [0,1,0,0,0,0|2,0,1]=4 1921 B13R0.196 CCCOCC(=O)CCCS(=O)(=O)[O-] 1458a_100000745993_100009813499 [0,1,0,0,0,0|2,0,1]=4 1922 B13R0.196 CCCSCC(=O)CCCS(=O)(=O)C 1458a_100000217233_100000754308 [0,1,0,0,0,0|2,0,1]=4 1923 B13R0.196 CCCSCC(=O)CCCS(=O)(=O)N 1458a_100000217233_100000750626 [0,1,0,0,0,0|2,0,1]=4 1924 B13R0.196 CCCSCC(=O)CCCS(=O)(=O)[O-] 1458a_100000217233_100009813499 [0,1,0,0,0,0|2,0,1]=4 1925 B13R0.196 CCOCCC(=O)CCCS(=O)(=O)C 1458a_100000749530_100000754308 [0,1,0,0,0,0|2,0,1]=4 1926 B13R0.196 CCOCCC(=O)CCCS(=O)(=O)N 1458a_100000739357_100011215890 [0,1,0,0,0,0|2,0,1]=4 1927 B13R0.196 CCOCCC(=O)CCCS(=O)(=O)N 1458a_100000749530_100000750626 [0,1,0,0,0,0|2,0,1]=4 1928 B13R0.196 CCOCCC(=O)CCCS(=O)(=O)[O-] 1458a_100000749530_100009813499 [0,1,0,0,0,0|2,0,1]=4 1929 B13R0.196 CCSCCC(=O)CCCS(=O)(=O)C 1458a_100000230768_100000754308 [0,1,0,0,0,0|2,0,1]=4 1930 B13R0.196 CCSCCC(=O)CCCS(=O)(=O)N 1458a_100000230768_100000750626 [0,1,0,0,0,0|2,0,1]=4 1931 B13R0.196 CCSCCC(=O)CCCS(=O)(=O)N 1458a_100000739357_100000757381 [0,1,0,0,0,0|2,0,1]=4 1932 B13R0.196 CCSCCC(=O)CCCS(=O)(=O)[O-] 1458a_100000230768_100009813499 [0,1,0,0,0,0|2,0,1]=4 1933 B13R0.196 COCCCC(=O)CCCS(=O)(=O)C 1458a_100000741012_100000754308 [0,1,0,0,0,0|2,0,1]=4 1934 B13R0.196 COCCCC(=O)CCCS(=O)(=O)N 1458a_100000739357_100000740836 [0,1,0,0,0,0|2,0,1]=4 1935 B13R0.196 COCCCC(=O)CCCS(=O)(=O)N 1458a_100000741012_100000750626 [0,1,0,0,0,0|2,0,1]=4 1936 B13R0.196 COCCCC(=O)CCCS(=O)(=O)[O-] 1458a_100000741012_100009813499 [0,1,0,0,0,0|2,0,1]=4 1937 B13R0.196 CS(=O)(=O)CCCC(=O)CCCCO 1458a_100000695505_100000754308 [0,1,0,0,0,0|2,0,1]=4 1938 B13R0.196 CSCCCC(=O)CCCS(=O)(=O)C 1458a_100000173376_100000754308 [0,1,0,0,0,0|2,0,1]=4 1939 B13R0.196 CSCCCC(=O)CCCS(=O)(=O)N 1458a_100000173376_100000750626 [0,1,0,0,0,0|2,0,1]=4 1940 B13R0.196 CSCCCC(=O)CCCS(=O)(=O)[O-] 1458a_100000173376_100009813499 [0,1,0,0,0,0|2,0,1]=4 1941 B13R0.196 NS(=O)(=O)CCCC(=O)CCCCF 1458a_100000739357_100000729493 [0,1,0,0,0,0|2,0,1]=4 1942 B13R0.196 NS(=O)(=O)CCCC(=O)CCCCO 1458a_100000695505_100000750626 [0,1,0,0,0,0|2,0,1]=4 1943 B13R0.196 NS(=O)(=O)CCCC(=O)CCCCO 1458a_100000739357_100000210776 [0,1,0,0,0,0|2,0,1]=4 1944 B13R0.196 O=C(CCCCO)CCCS(=O)(=O)[O-] 1458a_100000695505_100009813499 [0,1,0,0,0,0|2,0,1]=4 1945 B13R0.331 C=C(CCC)CC(=O)CCCC(=O)C 1458a_100000138376_100011215641 [0,1,0,0,0,0|1,0,1]=3 1946 B13R0.331 C=C(CCC)CC(=O)CCCC(=O)N 1458a_100000138376_100102525003 [0,1,0,0,0,0|1,0,1]=3 1947 B13R0.331 C=C(CCC)CC(=O)CCCC(C)O 1458a_100000138376_200000718107 [0,1,0,0,0,0|1,0,2]=4 1948 B13R0.331 C=C(CCC)CC(=O)CCNC(=O)C 1458a_100000138376_100000189650 [0,1,0,0,0,0|2,0,1]=4 1949 B13R0.331 C=C(CCC)CC(=O)CCNC(=O)N 1458a_100000138376_200000034859 [0,1,0,0,0,0|2,0,1]=4 1950 B13R0.331 C=C(CCC)CC(=O)CCOC(=O)C 1458a_100000138376_100009814007 [0,1,0,0,0,0|2,0,1]=4 1951 B13R0.331 C=C(CCC)CC(=O)CCOC(=O)N 1458a_100000138376_200011214921 [0,1,0,0,0,0|2,0,1]=4 1952 B13R0.331 C=C(CCC)CC(=O)NCCC(=O)N 11a_100000740010_100000138376 [0,1,0,0,0,0|2,0,1]=4 1953 B13R0.331 C=C(CCC)CC(=O)NCCC(=O)N 240690a_100000740010_100000138376 [0,1,0,0,0,0|2,0,1]=4 1954 B13R0.331 C=C(CCC)CC(=O)NCCC(=O)N 527a_100000740010_100000138376 [0,1,0,0,0,0|2,0,1]=4 1955 B13R0.331 CCCC(=CC(=O)CCCC(=O)C)C 1458a_100020676950_100011215641 [0,1,0,0,0,0|1,0,2]=4 1956 B13R0.331 CCCC(=CC(=O)CCCC(=O)N)C 1458a_100020676950_100102525003 [0,1,0,0,0,0|1,0,2]=4 1957 B13R0.331 CCCC(=O)CC(=O)CCC[N+](=O)[O-] 1458a_100016109205_100000747444 [0,1,0,0,0,0|1,0,2]=4 1958 B13R0.331 CCCC(=O)CC(=O)CCNC(=O)C 1458a_100000183196_100000747444 [0,1,0,0,0,0|2,0,1]=4 1959 B13R0.331 CCCC(=O)CC(=O)CCNC(=O)N 1458a_100000181464_100000747444 [0,1,0,0,0,0|2,0,1]=4 1960 B13R0.331 CCCC(=O)CC(=O)CCSC(=O)C 1458a_100000048949_100000747444 [0,1,0,0,0,0|2,0,1]=4 1961 B13R0.331 CCCC(=O)CC(=O)COCC(=O)N 1458a_100011219004_100000747444 [0,1,0,0,0,0|2,0,1]=4 1962 B13R0.331 CCCC(=O)CN(C)CCCC(=O)O 269956a_100000719178_100000747444 [0,1,0,0,0,0|2,0,1]=4 1963 B13R0.331 CCCC(C)CC(=O)CCC=C(C)C 1458a_100000748435_100011217483 [0,1,0,0,0,0|2,0,1]=4 1964 B13R0.331 CCCC(C)CC(=O)CCC=C(F)F 1458a_100000748435_200009816681 [0,1,0,0,0,0|2,0,1]=4 1965 B13R0.331 CCCC(C)CC(=O)CCCC(=O)C 1458a_100000748435_100011215641 [0,1,0,0,0,0|1,0,0]=2 1966 B13R0.331 CCCC(C)CC(=O)CCCC(=O)N 1458a_100000748435_100102525003 [0,1,0,0,0,0|1,0,0]=2 1967 B13R0.331 CCCC(C)CC(=O)CCCC(C)C 1458a_100000748435_100011214892 [0,1,0,0,0,0|2,0,1]=4 1968 B13R0.331 CCCC(C)CC(=O)CCCC(C)C 1458a_100011216857_100011216630 [0,1,0,0,0,0|2,0,1]=4 1969 B13R0.331 CCCC(C)CC(=O)CCCC(C)O 1458a_100000748435_200000718107 [0,1,0,0,0,0|1,0,1]=3 1970 B13R0.331 CCCC(C)CC(=O)CCCN(C)C 1458a_100000748435_100000695564 [0,1,0,0,0,0|3,0,0]=4 1971 B13R0.331 CCCC(C)CC(=O)CCC[N+](=O)[O-] 1458a_100016109205_100011216630 [0,1,0,0,0,0|1,0,1]=3 1972 B13R0.331 CCCC(C)CC(=O)CCN=C(N)N 1458a_100000033030_100011216630 [0,1,0,0,0,0|3,0,0]=4 1973 B13R0.331 CCCC(C)CC(=O)CCNC(=O)C 1458a_100000183196_100011216630 [0,1,0,0,0,0|2,0,0]=3 1974 B13R0.331 CCCC(C)CC(=O)CCNC(=O)C 1458a_100000748435_100000189650 [0,1,0,0,0,0|2,0,0]=3 1975 B13R0.331 CCCC(C)CC(=O)CCNC(=O)N 1458a_100000181464_100011216630 [0,1,0,0,0,0|2,0,0]=3 1976 B13R0.331 CCCC(C)CC(=O)CCNC(=O)N 1458a_100000748435_200000034859 [0,1,0,0,0,0|2,0,0]=3 1977 B13R0.331 CCCC(C)CC(=O)CCOC(=O)C 1458a_100000748435_100009814007 [0,1,0,0,0,0|2,0,0]=3 1978 B13R0.331 CCCC(C)CC(=O)CCOC(=O)N 1458a_100000748435_200011214921 [0,1,0,0,0,0|2,0,0]=3 1979 B13R0.331 CCCC(C)CC(=O)CCSC(=O)C 1458a_100000048949_100011216630 [0,1,0,0,0,0|2,0,0]=3 1980 B13R0.331 CCCC(C)CC(=O)COCC(=O)N 1458a_100011219004_100011216630 [0,1,0,0,0,0|2,0,0]=3 1981 B13R0.331 CCCC(C)CC(=O)NCCC(=O)N 11a_100000740010_100000748435 [0,1,0,0,0,0|2,0,0]=3 1982 B13R0.331 CCCC(C)CC(=O)NCCC(=O)N 240690a_100000740010_100000748435 [0,1,0,0,0,0|2,0,0]=3 1983 B13R0.331 CCCC(C)CC(=O)NCCC(=O)N 527a_100000740010_100000748435 [0,1,0,0,0,0|2,0,0]=3 1984 B13R0.331 CCCC(C)CC(=O)NCCC(C)O 240690a_200000755665_100000748435 [0,1,0,0,0,0|2,0,1]=4 1985 B13R0.331 CCCC(C)CC(=O)NCCC(C)O 527a_200000755665_100000748435 [0,1,0,0,0,0|2,0,1]=4 1986 B13R0.331 CCCC(C)CN(C)CCCC(=O)O 269956a_100000719178_100011216630 [0,1,0,0,0,0|2,0,0]=3 1987 B13R0.331 CCCC(C)NC(=O)CCCC(C)O 1626a_100000741246_100000761597 [0,1,0,0,0,0|2,0,1]=4 1988 B13R0.331 CCCC(C)NC(=O)CCCC(C)O 527a_100000741246_100000761597 [0,1,0,0,0,0|2,0,1]=4 1989 B13R0.331 CCCC(C)NC(=O)CCC[N+](=O)[O-] 11a_100000741246_100016109205 [0,1,0,0,0,0|2,0,1]=4 1990 B13R0.331 CCCC(C)NC(=O)CCC[N+](=O)[O-] 1626a_100000741246_100016109205 [0,1,0,0,0,0|2,0,1]=4 1991 B13R0.331 CCCC(C)NC(=O)CCC[N+](=O)[O-] 240690a_100000741246_100016109205 [0,1,0,0,0,0|2,0,1]=4 1992 B13R0.331 CCCC(C)NC(=O)CCC[N+](=O)[O-] 527a_100000741246_100016109205 [0,1,0,0,0,0|2,0,1]=4 1993 B13R0.331 CCCC(C)NC(=O)CCNC(=O)C 11a_100000741246_100000183196 [0,1,0,0,0,0|3,0,0]=4 1994 B13R0.331 CCCC(C)NC(=O)CCNC(=O)C 1626a_100000741246_100000183196 [0,1,0,0,0,0|3,0,0]=4 1995 B13R0.331 CCCC(C)NC(=O)CCNC(=O)C 240690a_100000741246_100000183196 [0,1,0,0,0,0|3,0,0]=4 1996 B13R0.331 CCCC(C)NC(=O)CCNC(=O)C 527a_100000741246_100000183196 [0,1,0,0,0,0|3,0,0]=4 1997 B13R0.331 CCCC(C)NC(=O)CCNC(=O)N 240690a_100000741246_100000181464 [0,1,0,0,0,0|3,0,0]=4 1998 B13R0.331 CCCC(C)NC(=O)CCNC(=O)N 527a_100000741246_100000181464 [0,1,0,0,0,0|3,0,0]=4 1999 B13R0.331 CCCC(C)NC(=O)CCSC(=O)C 1626a_100000741246_100000048949 [0,1,0,0,0,0|3,0,0]=4 2000 B13R0.331 CCCC(C)NC(=O)CCSC(=O)C 240690a_100000741246_100000048949 [0,1,0,0,0,0|3,0,0]=4 2001 B13R0.331 CCCC(C)NC(=O)COCC(=O)N 1626a_100000741246_100011219004 [0,1,0,0,0,0|3,0,0]=4 2002 B13R0.331 CCCC(C)NC(=O)COCC(=O)N 240690a_100000741246_100011219004 [0,1,0,0,0,0|3,0,0]=4 2003 B13R0.331 CCCC(C)NC(=O)COCC(=O)N 527a_100000741246_100011219004 [0,1,0,0,0,0|3,0,0]=4 2004 B13R0.331 CCCC(C)NC(=O)CSCC(=O)N 11a_100000741246_100000150265 [0,1,0,0,0,0|3,0,0]=4 2005 B13R0.331 CCCC(C)NC(=O)CSCC(=O)N 240690a_100000741246_100000150265 [0,1,0,0,0,0|3,0,0]=4 2006 B13R0.331 CCCC(C)NC(=O)CSCC(=O)N 527a_100000741246_100000150265 [0,1,0,0,0,0|3,0,0]=4 2007 B13R0.331 CCCC(C)NC(=O)NCCC(=O)N 2708a_100000741246_100000740010 [0,1,0,0,0,0|3,0,0]=4 2008 B13R0.331 CCCC(C)NC(=O)NCCC(=O)N 273464a_100000741246_100000740010 [0,1,0,0,0,0|3,0,0]=4 2009 B13R0.331 CCCC(C)NC(=O)NCCC(=O)N 512a_100000741246_100000740010 [0,1,0,0,0,0|3,0,0]=4 2010 B13R0.331 CCCS(=O)CC(=O)CCCC(=O)C 1458a_100011387404_100011215641 [0,1,0,0,0,0|2,0,0]=3 2011 B13R0.331 CCCS(=O)CC(=O)CCCC(=O)N 1458a_100011387404_100102525003 [0,1,0,0,0,0|2,0,0]=3 2012 B13R0.331 CCCS(=O)CC(=O)CCCC(C)O 1458a_100011387404_200000718107 [0,1,0,0,0,0|2,0,1]=4 2013 B13R0.331 CCCS(=O)CC(=O)CCNC(=O)C 1458a_100011387404_100000189650 [0,1,0,0,0,0|3,0,0]=4 2014 B13R0.331 CCCS(=O)CC(=O)CCNC(=O)N 1458a_100011387404_200000034859 [0,1,0,0,0,0|3,0,0]=4 2015 B13R0.331 CCCS(=O)CC(=O)CCOC(=O)C 1458a_100011387404_100009814007 [0,1,0,0,0,0|3,0,0]=4 2016 B13R0.331 CCCS(=O)CC(=O)CCOC(=O)N 1458a_100011387404_200011214921 [0,1,0,0,0,0|3,0,0]=4 2017 B13R0.331 CCCS(=O)CC(=O)NCCC(=O)N 11a_100000740010_100011387404 [0,1,0,0,0,0|3,0,0]=4 2018 B13R0.331 CCCS(=O)CC(=O)NCCC(=O)N 240690a_100000740010_100011387404 [0,1,0,0,0,0|3,0,0]=4 2019 B13R0.331 CCCS(=O)CC(=O)NCCC(=O)N 527a_100000740010_100011387404 [0,1,0,0,0,0|3,0,0]=4 2020 B13R0.331 CCOC(=O)CC(=O)CCCC(=O)C 1458a_100000243816_100011215641 [0,1,0,0,0,0|2,0,1]=4 2021 B13R0.331 CCOC(=O)CC(=O)CCCC(=O)N 1458a_100000243816_100102525003 [0,1,0,0,0,0|2,0,1]=4 2022 B13R0.331 CCOC(=O)CC(=O)CNCC(=O)O 269956a_100016091260_100000210311 [0,1,0,0,0,0|2,0,1]=4 2023 B13R0.331 CCSC(C)CC(=O)CCCC(=O)C 1458a_200011311441_100011215641 [0,1,0,0,0,0|2,0,0]=3 2024 B13R0.331 CCSC(C)CC(=O)CCCC(=O)N 1458a_200011311441_100102525003 [0,1,0,0,0,0|2,0,0]=3 2025 B13R0.331 CCSC(C)CC(=O)CCCC(C)O 1458a_200011311441_200000718107 [0,1,0,0,0,0|2,0,1]=4 2026 B13R0.331 CCSC(C)CC(=O)CCNC(=O)C 1458a_200011311441_100000189650 [0,1,0,0,0,0|3,0,0]=4 2027 B13R0.331 CCSC(C)CC(=O)CCNC(=O)N 1458a_200011311441_200000034859 [0,1,0,0,0,0|3,0,0]=4 2028 B13R0.331 CCSC(C)CC(=O)CCOC(=O)C 1458a_200011311441_100009814007 [0,1,0,0,0,0|3,0,0]=4 2029 B13R0.331 CCSC(C)CC(=O)CCOC(=O)N 1458a_200011311441_200011214921 [0,1,0,0,0,0|3,0,0]=4 2030 B13R0.331 CCSC(C)CC(=O)NCCC(=O)N 11a_100000740010_200011311441 [0,1,0,0,0,0|3,0,0]=4 2031 B13R0.331 CCSC(C)CC(=O)NCCC(=O)N 240690a_100000740010_200011311441 [0,1,0,0,0,0|3,0,0]=4 2032 B13R0.331 CCSC(C)CC(=O)NCCC(=O)N 527a_100000740010_200011311441 [0,1,0,0,0,0|3,0,0]=4 2033 B13R0.331 COCC(O)CN(C)CCCC(=O)O 269956a_100000719178_100011215053 [0,1,0,0,0,0|3,0,0]=4 2034 B13R0.333 C=C(C)CN(C)CC(=O)CCCCC 2230a_100000225649_200012276598 [0,1,0,0,0,0|3,0,0]=4 2035 B13R0.333 C=C(C)CN(C)CC(=O)CCCCC 269982a_100000225649_200012276598 [0,1,0,0,0,0|3,0,0]=4 2036 B13R0.333 CCCCCC(=O)CC(=O)CC(=O)N 1458a_100134613110_200012276598 [0,1,0,0,0,0|1,0,1]=3 2037 B13R0.333 CCCCCC(=O)CC(=O)C[C@@H](C)O 1458a_100011933948_200012276598 [0,1,0,0,0,0|1,0,2]=4 2038 B13R0.333 CCCCCC(=O)CC(=O)NC(=O)C 1458a_100000212188_100000183797 [0,1,0,0,0,0|2,0,1]=4 2039 B13R0.333 CCCCCC(=O)CC(=O)NC(=O)N 1458a_100000212188_100000182717 [0,1,0,0,0,0|2,0,1]=4 2040 B13R0.333 CCCCCC(=O)CN(C)CC(=O)N 2230a_100000739694_200012276598 [0,1,0,0,0,0|2,0,0]=3 2041 B13R0.333 CCCCCC(=O)CN(C)CC(=O)O 269956a_100000746989_200012276598 [0,1,0,0,0,0|1,0,0]=2 2042 B13R0.333 CCCCCC(=O)CN(C)CC(C)O 2230a_100000227577_200012276598 [0,1,0,0,0,0|2,0,1]=4 2043 B13R0.333 CCCCCC(=O)CN(C)CC(C)O 269982a_100000227577_200012276598 [0,1,0,0,0,0|2,0,1]=4 2044 B13R0.333 CCCCNC(=O)CC(=O)CC(=O)N 1458a_100134613110_100000182744 [0,1,0,0,0,0|2,0,1]=4 2045 B13R0.333 CCCCNC(=O)CN(C)CC(=O)N 2230a_100000739694_100000182744 [0,1,0,0,0,0|3,0,0]=4 2046 B13R0.333 CCCCNC(=O)CN(C)CC(=O)N 2230a_200000213093_100000747473 [0,1,0,0,0,0|3,0,0]=4 2047 B13R0.333 CCCCNC(=O)CN(C)CC(=O)N 269982a_200000213093_100000187820 [0,1,0,0,0,0|3,0,0]=4 2048 B13R0.333 CCCCNC(=O)CN(C)CC(=O)O 269956a_100000746989_100000182744 [0,1,0,0,0,0|2,0,0]=3 2049 B13R0.333 CCCCNC(=O)CN(C)CC(=O)[O-] 269982a_200000213093_100020667443 [0,1,0,0,0,0|2,0,1]=4 2050 B13R0.333 CCCCOC(=O)CC(=O)CC(=O)N 1458a_100134613110_100000211628 [0,1,0,0,0,0|2,0,1]=4 2051 B13R0.333 CCCCOC(=O)CN(C)CC(=O)N 2230a_100000739694_100000211628 [0,1,0,0,0,0|3,0,0]=4 2052 B13R0.333 CCCCOC(=O)CN(C)CC(=O)O 269956a_100000746989_100000211628 [0,1,0,0,0,0|2,0,0]=3 2053 B13R0.333 COCCNC(=O)CN(C)CC(=O)O 269956a_100000746989_100000183275 [0,1,0,0,0,0|3,0,0]=4 2054 B13R0.333 COCCOC(=O)CN(C)CC(=O)O 269956a_100000746989_200000040189 [0,1,0,0,0,0|3,0,0]=4 2055 B13R0.339 CC(=O)N(C)CCC(=O)CCCCF 1458a_100011216537_100000729493 [0,1,0,0,0,0|3,0,0]=4 2056 B13R0.339 CC(=O)N(C)CCC(=O)CCCCO 1458a_100011216537_100000210776 [0,1,0,0,0,0|3,0,0]=4 2057 B13R0.339 CCCCCC(=O)CCC(=C(F)F)F 1458a_100000212188_100009813398 [0,1,0,0,0,0|2,0,1]=4 2058 B13R0.339 CCCCCC(=O)CCC(=C(F)F)F 1458a_200000036841_100000210326 [0,1,0,0,0,0|2,0,1]=4 2059 B13R0.339 CCCCCC(=O)CCN(C)C(=O)C 1458a_100011216537_100000210326 [0,1,0,0,0,0|2,0,0]=3 2060 B13R0.339 CCCCCC(=O)CN[C@@H](C)C(=O)O 269956a_100000743915_200012276598 [0,1,0,0,0,0|1,0,0]=2 2061 B13R0.339 CCCCCC(=O)CN[C@H](C)C(=O)N 2230a_100000119354_200012276598 [0,1,0,0,0,0|2,0,0]=3 2062 B13R0.339 CCCCCC(=O)CN[C@H](C)C(=O)N 34a_100000119354_200012276598 [0,1,0,0,0,0|2,0,0]=3 2063 B13R0.339 CCCCCC(=O)COC(C)C(=O)C 34a_100000212229_200012276598 [0,1,0,0,0,0|2,0,0]=3 2064 B13R0.339 CCCCCC(=O)CO[C@@H](C)C(=O)[O-] 7a_217856618621_200012276598 [0,1,0,0,0,0|1,0,1]=3 2065 B13R0.339 CCCCCC(=O)CO[C@H](C)C(=O)N 34a_100000731257_200012276598 [0,1,0,0,0,0|2,0,0]=3 2066 B13R0.339 CCCCCC(=O)CO[C@H](C)C(=O)N 7a_100000731257_200012276598 [0,1,0,0,0,0|2,0,0]=3 2067 B13R0.339 CCCCCC(=O)CSC(C)C(=O)C 62a_100009814033_200012276598 [0,1,0,0,0,0|2,0,0]=3 2068 B13R0.339 CCCCCC(=O)CSC(C)C(=O)C 62a_200012276598_100009814033 [0,1,0,0,0,0|2,0,0]=3 2069 B13R0.339 CCCCCC(=O)CSC(C)C(=O)N 62a_100000702099_200012276598 [0,1,0,0,0,0|2,0,0]=3 2070 B13R0.339 CCCCCC(=O)CSC(C)C(=O)N 62a_200012276598_100000702099 [0,1,0,0,0,0|2,0,0]=3 2071 B13R0.339 CCCCCC(=O)CSC(F)C(=O)N 62a_100009813875_200012276598 [0,1,0,0,0,0|2,0,0]=3 2072 B13R0.339 CCCCCC(=O)CSC(F)C(=O)N 62a_200012276598_100009813875 [0,1,0,0,0,0|2,0,0]=3 2073 B13R0.339 CCCCCC(=O)CSC(F)C(=O)[O-] 62a_100020610796_200012276598 [0,1,0,0,0,0|1,0,1]=3 2074 B13R0.339 CCCCCC(=O)CSC(F)C(=O)[O-] 62a_200012276598_100020610796 [0,1,0,0,0,0|1,0,1]=3 2075 B13R0.339 CCCCCC(C)NCC(C)C(=O)O 269956a_100000749485_200011218191 [0,1,0,0,0,0|2,0,1]=4 2076 B13R0.339 CCCCCC(C)NCC(F)C(=O)O 269956a_100000084737_200011218191 [0,1,0,0,0,0|2,0,1]=4 2077 B13R0.339 CCCCNC(=O)CCN(C)C(=O)C 11a_100000102301_100011216537 [0,1,0,0,0,0|3,0,0]=4 2078 B13R0.339 CCCCNC(=O)CCN(C)C(=O)C 1626a_100000102301_100011216537 [0,1,0,0,0,0|3,0,0]=4 2079 B13R0.339 CCCCNC(=O)CCN(C)C(=O)C 240690a_100000102301_100011216537 [0,1,0,0,0,0|3,0,0]=4 2080 B13R0.339 CCCCNC(=O)CN[C@@H](C)C(=O)O 269956a_100000743915_100000182744 [0,1,0,0,0,0|2,0,0]=3 2081 B13R0.339 CCCCNC(=O)CN[C@H](C)C(=O)N 2230a_100000119354_100000182744 [0,1,0,0,0,0|3,0,0]=4 2082 B13R0.339 CCCCNC(=O)CN[C@H](C)C(=O)N 34a_100000119354_100000182744 [0,1,0,0,0,0|3,0,0]=4 2083 B13R0.339 CCCCNC(=O)COC(C)C(=O)C 34a_100000212229_100000182744 [0,1,0,0,0,0|3,0,0]=4 2084 B13R0.339 CCCCNC(=O)CO[C@@H](C)C(=O)[O-] 7a_217856618621_100000182744 [0,1,0,0,0,0|2,0,1]=4 2085 B13R0.339 CCCCNC(=O)CO[C@H](C)C(=O)N 34a_100000731257_100000182744 [0,1,0,0,0,0|3,0,0]=4 2086 B13R0.339 CCCCNC(=O)CO[C@H](C)C(=O)N 7a_100000731257_100000182744 [0,1,0,0,0,0|3,0,0]=4 2087 B13R0.339 CCCCNC(=O)CSC(C)C(=O)C 62a_100000182744_100009814033 [0,1,0,0,0,0|3,0,0]=4 2088 B13R0.339 CCCCNC(=O)CSC(C)C(=O)C 62a_100009814033_100000182744 [0,1,0,0,0,0|3,0,0]=4 2089 B13R0.339 CCCCNC(=O)CSC(C)C(=O)N 62a_100000182744_100000702099 [0,1,0,0,0,0|3,0,0]=4 2090 B13R0.339 CCCCNC(=O)CSC(C)C(=O)N 62a_100000702099_100000182744 [0,1,0,0,0,0|3,0,0]=4 2091 B13R0.339 CCCCNC(=O)CSC(F)C(=O)N 62a_100000182744_100009813875 [0,1,0,0,0,0|3,0,0]=4 2092 B13R0.339 CCCCNC(=O)CSC(F)C(=O)N 62a_100009813875_100000182744 [0,1,0,0,0,0|3,0,0]=4 2093 B13R0.339 CCCCNC(=O)CSC(F)C(=O)[O-] 62a_100000182744_100020610796 [0,1,0,0,0,0|2,0,1]=4 2094 B13R0.339 CCCCNC(=O)CSC(F)C(=O)[O-] 62a_100020610796_100000182744 [0,1,0,0,0,0|2,0,1]=4 2095 B13R0.339 CCCCOC(=O)CN[C@@H](C)C(=O)O 269956a_100000743915_100000211628 [0,1,0,0,0,0|2,0,0]=3 2096 B13R0.339 CCCCOC(=O)CN[C@H](C)C(=O)N 2230a_100000119354_100000211628 [0,1,0,0,0,0|3,0,0]=4 2097 B13R0.339 CCCCOC(=O)CN[C@H](C)C(=O)N 34a_100000119354_100000211628 [0,1,0,0,0,0|3,0,0]=4 2098 B13R0.339 CCCCOC(=O)COC(C)C(=O)C 34a_100000212229_100000211628 [0,1,0,0,0,0|3,0,0]=4 2099 B13R0.339 CCCCOC(=O)CO[C@@H](C)C(=O)[O-] 7a_217856618621_100000211628 [0,1,0,0,0,0|2,0,1]=4 2100 B13R0.339 CCCCOC(=O)CO[C@H](C)C(=O)N 34a_100000731257_100000211628 [0,1,0,0,0,0|3,0,0]=4 2101 B13R0.339 CCCCOC(=O)CO[C@H](C)C(=O)N 7a_100000731257_100000211628 [0,1,0,0,0,0|3,0,0]=4 2102 B13R0.339 CCCCOC(=O)CSC(C)C(=O)C 62a_100000211628_100009814033 [0,1,0,0,0,0|3,0,0]=4 2103 B13R0.339 CCCCOC(=O)CSC(C)C(=O)C 62a_100009814033_100000211628 [0,1,0,0,0,0|3,0,0]=4 2104 B13R0.339 CCCCOC(=O)CSC(C)C(=O)N 62a_100000211628_100000702099 [0,1,0,0,0,0|3,0,0]=4 2105 B13R0.339 CCCCOC(=O)CSC(C)C(=O)N 62a_100000702099_100000211628 [0,1,0,0,0,0|3,0,0]=4 2106 B13R0.339 CCCCOC(=O)CSC(F)C(=O)N 62a_100000211628_100009813875 [0,1,0,0,0,0|3,0,0]=4 2107 B13R0.339 CCCCOC(=O)CSC(F)C(=O)N 62a_100009813875_100000211628 [0,1,0,0,0,0|3,0,0]=4 2108 B13R0.339 CCCCOC(=O)CSC(F)C(=O)[O-] 62a_100000211628_100020610796 [0,1,0,0,0,0|2,0,1]=4 2109 B13R0.339 CCCCOC(=O)CSC(F)C(=O)[O-] 62a_100020610796_100000211628 [0,1,0,0,0,0|2,0,1]=4 2110 B13R0.339 CCOCCC(=O)CCN(C)C(=O)C 1458a_100011216537_100011215890 [0,1,0,0,0,0|3,0,0]=4 2111 B13R0.339 CCSCCC(=O)CCN(C)C(=O)C 1458a_100011216537_100000757381 [0,1,0,0,0,0|3,0,0]=4 2112 B13R0.339 COCCCC(=O)CCN(C)C(=O)C 1458a_100011216537_100000740836 [0,1,0,0,0,0|3,0,0]=4 2113 B13R0.339 COCCNC(=O)CN[C@@H](C)C(=O)O 269956a_100000743915_100000183275 [0,1,0,0,0,0|3,0,0]=4 2114 B13R0.339 COCCOC(=O)CN[C@@H](C)C(=O)O 269956a_100000743915_200000040189 [0,1,0,0,0,0|3,0,0]=4 2115 B13R0.345 CCC/C=C(\C)/C(=O)CCCC(=O)C 1458a_200020648666_100011215641 [0,1,0,0,0,0|1,0,2]=4 2116 B13R0.345 CCC/C=C(\C)/C(=O)CCCC(=O)N 1458a_200020648666_100102525003 [0,1,0,0,0,0|1,0,2]=4 2117 B13R0.345 CCCCC(C)C(=O)CCC=C(C)C 1458a_100000725509_100011217483 [0,1,0,0,0,0|2,0,1]=4 2118 B13R0.345 CCCCC(C)C(=O)CCC=C(F)F 1458a_100000725509_200009816681 [0,1,0,0,0,0|2,0,1]=4 2119 B13R0.345 CCCCC(C)C(=O)CCCC(=O)C 1458a_100000725509_100011215641 [0,1,0,0,0,0|1,0,0]=2 2120 B13R0.345 CCCCC(C)C(=O)CCCC(=O)N 1458a_100000725509_100102525003 [0,1,0,0,0,0|1,0,0]=2 2121 B13R0.345 CCCCC(C)C(=O)CCCC(C)C 1458a_100000725509_100011214892 [0,1,0,0,0,0|2,0,1]=4 2122 B13R0.345 CCCCC(C)C(=O)CCCC(C)C 1458a_100011216857_200011215066 [0,1,0,0,0,0|2,0,1]=4 2123 B13R0.345 CCCCC(C)C(=O)CCCC(C)O 1458a_100000725509_200000718107 [0,1,0,0,0,0|1,0,1]=3 2124 B13R0.345 CCCCC(C)C(=O)CCCN(C)C 1458a_100000725509_100000695564 [0,1,0,0,0,0|3,0,0]=4 2125 B13R0.345 CCCCC(C)C(=O)CCC[N+](=O)[O-] 1458a_100016109205_200011215066 [0,1,0,0,0,0|1,0,1]=3 2126 B13R0.345 CCCCC(C)C(=O)CCN=C(N)N 1458a_100000033030_200011215066 [0,1,0,0,0,0|3,0,0]=4 2127 B13R0.345 CCCCC(C)C(=O)CCNC(=O)C 1458a_100000183196_200011215066 [0,1,0,0,0,0|2,0,0]=3 2128 B13R0.345 CCCCC(C)C(=O)CCNC(=O)C 1458a_100000725509_100000189650 [0,1,0,0,0,0|2,0,0]=3 2129 B13R0.345 CCCCC(C)C(=O)CCNC(=O)N 1458a_100000181464_200011215066 [0,1,0,0,0,0|2,0,0]=3 2130 B13R0.345 CCCCC(C)C(=O)CCNC(=O)N 1458a_100000725509_200000034859 [0,1,0,0,0,0|2,0,0]=3 2131 B13R0.345 CCCCC(C)C(=O)CCOC(=O)C 1458a_100000725509_100009814007 [0,1,0,0,0,0|2,0,0]=3 2132 B13R0.345 CCCCC(C)C(=O)CCOC(=O)N 1458a_100000725509_200011214921 [0,1,0,0,0,0|2,0,0]=3 2133 B13R0.345 CCCCC(C)C(=O)CCSC(=O)C 1458a_100000048949_200011215066 [0,1,0,0,0,0|2,0,0]=3 2134 B13R0.345 CCCCC(C)C(=O)COCC(=O)N 1458a_100011219004_200011215066 [0,1,0,0,0,0|2,0,0]=3 2135 B13R0.345 CCCCC(C)C(=O)NCCC(=O)N 11a_100000740010_100000725509 [0,1,0,0,0,0|2,0,0]=3 2136 B13R0.345 CCCCC(C)C(=O)NCCC(=O)N 240690a_100000740010_100000725509 [0,1,0,0,0,0|2,0,0]=3 2137 B13R0.345 CCCCC(C)C(=O)NCCC(=O)N 527a_100000740010_100000725509 [0,1,0,0,0,0|2,0,0]=3 2138 B13R0.345 CCCCC(C)C(=O)NCCC(C)O 240690a_200000755665_100000725509 [0,1,0,0,0,0|2,0,1]=4 2139 B13R0.345 CCCCC(C)C(=O)NCCC(C)O 527a_200000755665_100000725509 [0,1,0,0,0,0|2,0,1]=4 2140 B13R0.345 CCCCC(C)N(C)CCCC(=O)O 269956a_100000719178_200011215066 [0,1,0,0,0,0|2,0,0]=3 2141 B13R0.345 CCCCC(O)C(=O)CCC=C(C)C 1458a_100000720857_100011217483 [0,1,0,0,0,0|2,0,1]=4 2142 B13R0.345 CCCCC(O)C(=O)CCC=C(F)F 1458a_100000720857_200009816681 [0,1,0,0,0,0|2,0,1]=4 2143 B13R0.345 CCCCC(O)C(=O)CCCC(=O)C 1458a_100000720857_100011215641 [0,1,0,0,0,0|1,0,0]=2 2144 B13R0.345 CCCCC(O)C(=O)CCCC(=O)N 1458a_100000720857_100102525003 [0,1,0,0,0,0|1,0,0]=2 2145 B13R0.345 CCCCC(O)C(=O)CCCC(C)C 1458a_100000720857_100011214892 [0,1,0,0,0,0|2,0,1]=4 2146 B13R0.345 CCCCC(O)C(=O)CCCC(C)O 1458a_100000720857_200000718107 [0,1,0,0,0,0|1,0,1]=3 2147 B13R0.345 CCCCC(O)C(=O)CCCN(C)C 1458a_100000720857_100000695564 [0,1,0,0,0,0|3,0,0]=4 2148 B13R0.345 CCCCC(O)C(=O)CCNC(=O)C 1458a_100000720857_100000189650 [0,1,0,0,0,0|2,0,0]=3 2149 B13R0.345 CCCCC(O)C(=O)CCNC(=O)N 1458a_100000720857_200000034859 [0,1,0,0,0,0|2,0,0]=3 2150 B13R0.345 CCCCC(O)C(=O)CCOC(=O)C 1458a_100000720857_100009814007 [0,1,0,0,0,0|2,0,0]=3 2151 B13R0.345 CCCCC(O)C(=O)CCOC(=O)N 1458a_100000720857_200011214921 [0,1,0,0,0,0|2,0,0]=3 2152 B13R0.345 CCCCC(O)C(=O)NCCC(=O)N 240690a_100000740010_100000720857 [0,1,0,0,0,0|2,0,0]=3 2153 B13R0.345 CCCCC(O)C(=O)NCCC(=O)N 527a_100000740010_100000720857 [0,1,0,0,0,0|2,0,0]=3 2154 B13R0.345 CCCCC(O)C(=O)NCCC(C)O 240690a_200000755665_100000720857 [0,1,0,0,0,0|2,0,1]=4 2155 B13R0.345 CCCCC(O)C(=O)NCCC(C)O 527a_200000755665_100000720857 [0,1,0,0,0,0|2,0,1]=4 2156 B13R0.345 CCCCN(C)C(=O)CCCC(C)O 1626a_100000207549_100000761597 [0,1,0,0,0,0|2,0,1]=4 2157 B13R0.345 CCCCN(C)C(=O)CCCC(C)O 527a_100000207549_100000761597 [0,1,0,0,0,0|2,0,1]=4 2158 B13R0.345 CCCCN(C)C(=O)CCC[N+](=O)[O-] 11a_100000207549_100016109205 [0,1,0,0,0,0|2,0,1]=4 2159 B13R0.345 CCCCN(C)C(=O)CCC[N+](=O)[O-] 1626a_100000207549_100016109205 [0,1,0,0,0,0|2,0,1]=4 2160 B13R0.345 CCCCN(C)C(=O)CCC[N+](=O)[O-] 240690a_100000207549_100016109205 [0,1,0,0,0,0|2,0,1]=4 2161 B13R0.345 CCCCN(C)C(=O)CCC[N+](=O)[O-] 527a_100000207549_100016109205 [0,1,0,0,0,0|2,0,1]=4 2162 B13R0.345 CCCCN(C)C(=O)CCNC(=O)C 11a_100000207549_100000183196 [0,1,0,0,0,0|3,0,0]=4 2163 B13R0.345 CCCCN(C)C(=O)CCNC(=O)C 1626a_100000207549_100000183196 [0,1,0,0,0,0|3,0,0]=4 2164 B13R0.345 CCCCN(C)C(=O)CCNC(=O)C 240690a_100000207549_100000183196 [0,1,0,0,0,0|3,0,0]=4 2165 B13R0.345 CCCCN(C)C(=O)CCNC(=O)C 527a_100000207549_100000183196 [0,1,0,0,0,0|3,0,0]=4 2166 B13R0.345 CCCCN(C)C(=O)CCNC(=O)N 240690a_100000207549_100000181464 [0,1,0,0,0,0|3,0,0]=4 2167 B13R0.345 CCCCN(C)C(=O)CCNC(=O)N 527a_100000207549_100000181464 [0,1,0,0,0,0|3,0,0]=4 2168 B13R0.345 CCCCN(C)C(=O)CCSC(=O)C 1626a_100000207549_100000048949 [0,1,0,0,0,0|3,0,0]=4 2169 B13R0.345 CCCCN(C)C(=O)CCSC(=O)C 240690a_100000207549_100000048949 [0,1,0,0,0,0|3,0,0]=4 2170 B13R0.345 CCCCN(C)C(=O)CNCC(=O)N 2230a_100000711301_100000230175 [0,1,0,0,0,0|3,0,0]=4 2171 B13R0.345 CCCCN(C)C(=O)CNCC(=O)O 269956a_100016091260_100000230175 [0,1,0,0,0,0|2,0,0]=3 2172 B13R0.345 CCCCN(C)C(=O)COCC(=O)C 34a_100000211253_100000230175 [0,1,0,0,0,0|3,0,0]=4 2173 B13R0.345 CCCCN(C)C(=O)COCC(=O)N 1626a_100000207549_100011219004 [0,1,0,0,0,0|3,0,0]=4 2174 B13R0.345 CCCCN(C)C(=O)COCC(=O)N 240690a_100000207549_100011219004 [0,1,0,0,0,0|3,0,0]=4 2175 B13R0.345 CCCCN(C)C(=O)COCC(=O)N 527a_100000207549_100011219004 [0,1,0,0,0,0|3,0,0]=4 2176 B13R0.345 CCCCN(C)C(=O)CSCC(=O)N 11a_100000207549_100000150265 [0,1,0,0,0,0|3,0,0]=4 2177 B13R0.345 CCCCN(C)C(=O)CSCC(=O)N 240690a_100000207549_100000150265 [0,1,0,0,0,0|3,0,0]=4 2178 B13R0.345 CCCCN(C)C(=O)CSCC(=O)N 527a_100000207549_100000150265 [0,1,0,0,0,0|3,0,0]=4 2179 B13R0.345 CCCCN(C)C(=O)CSCC(=O)N 62a_100000230175_100000747473 [0,1,0,0,0,0|3,0,0]=4 2180 B13R0.345 CCCCN(C)C(=O)CSCC(=O)N 62a_100000747473_100000230175 [0,1,0,0,0,0|3,0,0]=4 2181 B13R0.345 CCCCN(C)C(=O)CSCC(=O)[O-] 62a_100000230175_100020667443 [0,1,0,0,0,0|2,0,1]=4 2182 B13R0.345 CCCCN(C)C(=O)CSCC(=O)[O-] 62a_100020667443_100000230175 [0,1,0,0,0,0|2,0,1]=4 2183 B13R0.345 CCCCN(C)C(=O)NCCC(=O)N 273464a_100000740010_100000207549 [0,1,0,0,0,0|3,0,0]=4 2184 B13R0.345 CCCNC(=O)C(=O)CCCC(=O)C 1458a_200011297150_100011215641 [0,1,0,0,0,0|2,0,1]=4 2185 B13R0.345 CCCNC(=O)C(=O)CCCC(=O)N 1458a_200011297150_100102525003 [0,1,0,0,0,0|2,0,1]=4 2186 B13R0.345 CSCCC(O)C(=O)CCCC(=O)C 1458a_100000685904_100011215641 [0,1,0,0,0,0|2,0,0]=3 2187 B13R0.345 CSCCC(O)C(=O)CCCC(=O)N 1458a_100000685904_100102525003 [0,1,0,0,0,0|2,0,0]=3 2188 B13R0.345 CSCCC(O)C(=O)CCCC(C)O 1458a_100000685904_200000718107 [0,1,0,0,0,0|2,0,1]=4 2189 B13R0.345 CSCCC(O)C(=O)CCNC(=O)C 1458a_100000685904_100000189650 [0,1,0,0,0,0|3,0,0]=4 2190 B13R0.345 CSCCC(O)C(=O)CCNC(=O)N 1458a_100000685904_200000034859 [0,1,0,0,0,0|3,0,0]=4 2191 B13R0.345 CSCCC(O)C(=O)CCOC(=O)C 1458a_100000685904_100009814007 [0,1,0,0,0,0|3,0,0]=4 2192 B13R0.345 CSCCC(O)C(=O)CCOC(=O)N 1458a_100000685904_200011214921 [0,1,0,0,0,0|3,0,0]=4 2193 B13R0.345 CSCCC(O)C(=O)NCCC(=O)N 240690a_100000740010_100000685904 [0,1,0,0,0,0|3,0,0]=4 2194 B13R0.493 CCC(=O)NCC(=O)CCCC(=O)C 1458a_100000194589_100011215641 [0,1,0,0,0,0|2,0,1]=4 2195 B13R0.493 CCC(=O)NCC(=O)CCCC(=O)N 1458a_100000194589_100102525003 [0,1,0,0,0,0|2,0,1]=4 2196 B13R0.493 CCC(C)CCC(=O)CCC=C(C)C 1458a_100000701222_100011217483 [0,1,0,0,0,0|2,0,1]=4 2197 B13R0.493 CCC(C)CCC(=O)CCC=C(F)F 1458a_100000701222_200009816681 [0,1,0,0,0,0|2,0,1]=4 2198 B13R0.493 CCC(C)CCC(=O)CCCC(=O)C 1458a_100000701222_100011215641 [0,1,0,0,0,0|1,0,0]=2 2199 B13R0.493 CCC(C)CCC(=O)CCCC(=O)N 1458a_100000701222_100102525003 [0,1,0,0,0,0|1,0,0]=2 2200 B13R0.493 CCC(C)CCC(=O)CCCC(C)C 1458a_100000701222_100011214892 [0,1,0,0,0,0|2,0,1]=4 2201 B13R0.493 CCC(C)CCC(=O)CCCC(C)O 1458a_100000701222_200000718107 [0,1,0,0,0,0|1,0,1]=3 2202 B13R0.493 CCC(C)CCC(=O)CCCN(C)C 1458a_100000701222_100000695564 [0,1,0,0,0,0|3,0,0]=4 2203 B13R0.493 CCC(C)CCC(=O)CCNC(=O)C 1458a_100000701222_100000189650 [0,1,0,0,0,0|2,0,0]=3 2204 B13R0.493 CCC(C)CCC(=O)CCNC(=O)N 1458a_100000701222_200000034859 [0,1,0,0,0,0|2,0,0]=3 2205 B13R0.493 CCC(C)CCC(=O)CCOC(=O)C 1458a_100000701222_100009814007 [0,1,0,0,0,0|2,0,0]=3 2206 B13R0.493 CCC(C)CCC(=O)CCOC(=O)N 1458a_100000701222_200011214921 [0,1,0,0,0,0|2,0,0]=3 2207 B13R0.493 CCC(C)CCC(=O)NCCC(=O)N 11a_100000740010_100000701222 [0,1,0,0,0,0|2,0,0]=3 2208 B13R0.493 CCC(C)CCC(=O)NCCC(=O)N 240690a_100000740010_100000701222 [0,1,0,0,0,0|2,0,0]=3 2209 B13R0.493 CCC(C)CCC(=O)NCCC(=O)N 527a_100000740010_100000701222 [0,1,0,0,0,0|2,0,0]=3 2210 B13R0.493 CCC(C)CCC(=O)NCCC(C)O 240690a_200000755665_100000701222 [0,1,0,0,0,0|2,0,1]=4 2211 B13R0.493 CCC(C)CCC(=O)NCCC(C)O 527a_200000755665_100000701222 [0,1,0,0,0,0|2,0,1]=4 2212 B13R0.493 CCC(C)CNC(=O)CCCC(C)O 1626a_100020588543_100000761597 [0,1,0,0,0,0|2,0,1]=4 2213 B13R0.493 CCC(C)CNC(=O)CCCC(C)O 527a_100020588543_100000761597 [0,1,0,0,0,0|2,0,1]=4 2214 B13R0.493 CCC(C)CNC(=O)CCC[N+](=O)[O-] 11a_100020588543_100016109205 [0,1,0,0,0,0|2,0,1]=4 2215 B13R0.493 CCC(C)CNC(=O)CCC[N+](=O)[O-] 1626a_100020588543_100016109205 [0,1,0,0,0,0|2,0,1]=4 2216 B13R0.493 CCC(C)CNC(=O)CCC[N+](=O)[O-] 240690a_100020588543_100016109205 [0,1,0,0,0,0|2,0,1]=4 2217 B13R0.493 CCC(C)CNC(=O)CCC[N+](=O)[O-] 527a_100020588543_100016109205 [0,1,0,0,0,0|2,0,1]=4 2218 B13R0.493 CCC(C)CNC(=O)CCNC(=O)C 11a_100020588543_100000183196 [0,1,0,0,0,0|3,0,0]=4 2219 B13R0.493 CCC(C)CNC(=O)CCNC(=O)C 1626a_100020588543_100000183196 [0,1,0,0,0,0|3,0,0]=4 2220 B13R0.493 CCC(C)CNC(=O)CCNC(=O)C 240690a_100020588543_100000183196 [0,1,0,0,0,0|3,0,0]=4 2221 B13R0.493 CCC(C)CNC(=O)CCNC(=O)C 527a_100020588543_100000183196 [0,1,0,0,0,0|3,0,0]=4 2222 B13R0.493 CCC(C)CNC(=O)CCNC(=O)N 240690a_100020588543_100000181464 [0,1,0,0,0,0|3,0,0]=4 2223 B13R0.493 CCC(C)CNC(=O)CCNC(=O)N 527a_100020588543_100000181464 [0,1,0,0,0,0|3,0,0]=4 2224 B13R0.493 CCC(C)CNC(=O)CCSC(=O)C 1626a_100020588543_100000048949 [0,1,0,0,0,0|3,0,0]=4 2225 B13R0.493 CCC(C)CNC(=O)CCSC(=O)C 240690a_100020588543_100000048949 [0,1,0,0,0,0|3,0,0]=4 2226 B13R0.493 CCC(C)CNC(=O)COCC(=O)N 1626a_100020588543_100011219004 [0,1,0,0,0,0|3,0,0]=4 2227 B13R0.493 CCC(C)CNC(=O)COCC(=O)N 240690a_100020588543_100011219004 [0,1,0,0,0,0|3,0,0]=4 2228 B13R0.493 CCC(C)CNC(=O)COCC(=O)N 527a_100020588543_100011219004 [0,1,0,0,0,0|3,0,0]=4 2229 B13R0.493 CCC(C)CNC(=O)CSCC(=O)N 11a_100020588543_100000150265 [0,1,0,0,0,0|3,0,0]=4 2230 B13R0.493 CCC(C)CNC(=O)CSCC(=O)N 240690a_100020588543_100000150265 [0,1,0,0,0,0|3,0,0]=4 2231 B13R0.493 CCC(C)CNC(=O)CSCC(=O)N 527a_100020588543_100000150265 [0,1,0,0,0,0|3,0,0]=4 2232 B13R0.493 CCC(C)CNC(=O)NCCC(=O)N 2708a_100020588543_100000740010 [0,1,0,0,0,0|3,0,0]=4 2233 B13R0.493 CCC(C)CNC(=O)NCCC(=O)N 273464a_100000740010_100020588543 [0,1,0,0,0,0|3,0,0]=4 2234 B13R0.493 CCC(C)CNC(=O)NCCC(=O)N 273464a_100020588543_100000740010 [0,1,0,0,0,0|3,0,0]=4 2235 B13R0.493 CCC(C)CNC(=O)NCCC(=O)N 512a_100020588543_100000740010 [0,1,0,0,0,0|3,0,0]=4 2236 B13R0.493 CCC(C)NCC(=O)NCCC(=O)N 2230a_200138414118_100000758301 [0,1,0,0,0,0|3,0,0]=4 2237 B13R0.493 CCC(O)CCC(=O)NCCC(=O)N 240690a_100000740010_203496584001 [0,1,0,0,0,0|2,0,0]=3 2238 B13R0.493 CCC(O)CCC(=O)NCCC(C)O 240690a_200000755665_203496584001 [0,1,0,0,0,0|2,0,1]=4 2239 B13R0.493 CCC(O)CNC(=O)CCCC(C)O 527a_100011218483_100000761597 [0,1,0,0,0,0|2,0,1]=4 2240 B13R0.493 CCC(O)CNC(=O)CCC[N+](=O)[O-] 11a_100011218483_100016109205 [0,1,0,0,0,0|2,0,1]=4 2241 B13R0.493 CCC(O)CNC(=O)CCC[N+](=O)[O-] 240690a_100011218483_100016109205 [0,1,0,0,0,0|2,0,1]=4 2242 B13R0.493 CCC(O)CNC(=O)CCC[N+](=O)[O-] 527a_100011218483_100016109205 [0,1,0,0,0,0|2,0,1]=4 2243 B13R0.493 CCC(O)CNC(=O)CCNC(=O)C 11a_100011218483_100000183196 [0,1,0,0,0,0|3,0,0]=4 2244 B13R0.493 CCC(O)CNC(=O)CCNC(=O)C 240690a_100011218483_100000183196 [0,1,0,0,0,0|3,0,0]=4 2245 B13R0.493 CCC(O)CNC(=O)CCNC(=O)C 527a_100011218483_100000183196 [0,1,0,0,0,0|3,0,0]=4 2246 B13R0.493 CCC(O)CNC(=O)CCNC(=O)N 240690a_100011218483_100000181464 [0,1,0,0,0,0|3,0,0]=4 2247 B13R0.493 CCC(O)CNC(=O)CCNC(=O)N 527a_100011218483_100000181464 [0,1,0,0,0,0|3,0,0]=4 2248 B13R0.493 CCC(O)CNC(=O)CCSC(=O)C 240690a_100011218483_100000048949 [0,1,0,0,0,0|3,0,0]=4 2249 B13R0.493 CCC(O)CNC(=O)COCC(=O)N 240690a_100011218483_100011219004 [0,1,0,0,0,0|3,0,0]=4 2250 B13R0.493 CCC(O)CNC(=O)COCC(=O)N 527a_100011218483_100011219004 [0,1,0,0,0,0|3,0,0]=4 2251 B13R0.493 CCC(O)CNC(=O)CSCC(=O)N 11a_100011218483_100000150265 [0,1,0,0,0,0|3,0,0]=4 2252 B13R0.493 CCC(O)CNC(=O)CSCC(=O)N 240690a_100011218483_100000150265 [0,1,0,0,0,0|3,0,0]=4 2253 B13R0.493 CCC(O)CNC(=O)CSCC(=O)N 527a_100011218483_100000150265 [0,1,0,0,0,0|3,0,0]=4 2254 B13R0.493 CCC(O)CNC(=O)NCCC(=O)N 273464a_100000740010_100011218483 [0,1,0,0,0,0|3,0,0]=4 2255 B13R0.493 CCC(O)CNC(=O)NCCC(=O)N 273464a_100011218483_100000740010 [0,1,0,0,0,0|3,0,0]=4 2256 B13R0.493 CCC(O)CNC(=O)NCCC(=O)N 512a_100011218483_100000740010 [0,1,0,0,0,0|3,0,0]=4 2257 B13R0.493 CCN(C)CCC(=O)CCCC(=O)C 1458a_100000755305_100011215641 [0,1,0,0,0,0|2,0,0]=3 2258 B13R0.493 CCN(C)CCC(=O)CCCC(=O)N 1458a_100000755305_100102525003 [0,1,0,0,0,0|2,0,0]=3 2259 B13R0.493 CCN(C)CCC(=O)CCCC(C)O 1458a_100000755305_200000718107 [0,1,0,0,0,0|2,0,1]=4 2260 B13R0.493 CCN(C)CCC(=O)CCNC(=O)C 1458a_100000755305_100000189650 [0,1,0,0,0,0|3,0,0]=4 2261 B13R0.493 CCN(C)CCC(=O)CCNC(=O)N 1458a_100000755305_200000034859 [0,1,0,0,0,0|3,0,0]=4 2262 B13R0.493 CCN(C)CCC(=O)CCOC(=O)C 1458a_100000755305_100009814007 [0,1,0,0,0,0|3,0,0]=4 2263 B13R0.493 CCN(C)CCC(=O)CCOC(=O)N 1458a_100000755305_200011214921 [0,1,0,0,0,0|3,0,0]=4 2264 B13R0.493 CCN(C)CCC(=O)NCCC(=O)N 240690a_100000740010_100000755305 [0,1,0,0,0,0|3,0,0]=4 2265 B13R0.493 CCS(=O)CCC(=O)CCCC(=O)C 1458a_100011387550_100011215641 [0,1,0,0,0,0|2,0,0]=3 2266 B13R0.493 CCS(=O)CCC(=O)CCCC(=O)N 1458a_100011387550_100102525003 [0,1,0,0,0,0|2,0,0]=3 2267 B13R0.493 CCS(=O)CCC(=O)CCCC(C)O 1458a_100011387550_200000718107 [0,1,0,0,0,0|2,0,1]=4 2268 B13R0.493 CCS(=O)CCC(=O)CCNC(=O)C 1458a_100011387550_100000189650 [0,1,0,0,0,0|3,0,0]=4 2269 B13R0.493 CCS(=O)CCC(=O)CCNC(=O)N 1458a_100011387550_200000034859 [0,1,0,0,0,0|3,0,0]=4 2270 B13R0.493 CCS(=O)CCC(=O)CCOC(=O)C 1458a_100011387550_100009814007 [0,1,0,0,0,0|3,0,0]=4 2271 B13R0.493 CCS(=O)CCC(=O)CCOC(=O)N 1458a_100011387550_200011214921 [0,1,0,0,0,0|3,0,0]=4 2272 B13R0.493 CCS(=O)CCC(=O)NCCC(=O)N 11a_100000740010_100011387550 [0,1,0,0,0,0|3,0,0]=4 2273 B13R0.493 CCS(=O)CCC(=O)NCCC(=O)N 240690a_100000740010_100011387550 [0,1,0,0,0,0|3,0,0]=4 2274 B13R0.493 CCS(=O)CCC(=O)NCCC(=O)N 527a_100000740010_100011387550 [0,1,0,0,0,0|3,0,0]=4 2275 B13R0.493 CNC(=O)CCC(=O)CCCC(=O)C 1458a_100011309844_100011215641 [0,1,0,0,0,0|2,0,1]=4 2276 B13R0.493 CNC(=O)CCC(=O)CCCC(=O)N 1458a_100011309844_100102525003 [0,1,0,0,0,0|2,0,1]=4 2277 B13R0.493 COC(=O)CCC(=O)CCCC(=O)C 1458a_100000187943_100011215641 [0,1,0,0,0,0|2,0,1]=4 2278 B13R0.493 COC(=O)CCC(=O)CCCC(=O)N 1458a_100000187943_100102525003 [0,1,0,0,0,0|2,0,1]=4 2279 B13R0.493 COC(=O)CCC(=O)CNCC(=O)O 269956a_100016091260_100000691467 [0,1,0,0,0,0|2,0,1]=4 2280 B13R0.493 O=C(O)CNCC(=O)NCC(O)CO 269956a_100016091260_200012027429 [0,1,0,0,0,0|3,0,0]=4 2281 B13R0.1259 CCCCCS(=O)(=O)NCCC(=O)N 270084a_100000740010_100000753860 [0,1,0,0,0,0|3,0,0]=4 2282 B13R0.1259 CCCCCS(=O)(=O)NCCC(=O)N 274078a_100000740010_100000753860 [0,1,0,0,0,0|3,0,0]=4 2283 B13R0.1398 CC(=CCCC(=O)CCCC(C)C)C 1458a_100011216857_100011217483 [0,1,0,0,0,0|2,0,1]=4 2284 B13R0.1398 CC(=O)CCCC(=O)C/C=C/C(C)C 1458a_100016292215_100011215641 [0,1,0,0,0,0|1,0,2]=4 2285 B13R0.1398 CC(=O)CCCC(=O)CCCC(C)C 1458a_100011216857_100011215641 [0,1,0,0,0,0|1,0,0]=2 2286 B13R0.1398 CC(=O)CCCC(=O)CCC[N+](=O)[O-] 1458a_100016109205_100011215641 [0,1,0,0,0,0|1,0,2]=4 2287 B13R0.1398 CC(=O)CCCC(=O)CCNC(=O)C 1458a_100000183196_100011215641 [0,1,0,0,0,0|2,0,1]=4 2288 B13R0.1398 CC(=O)CCCC(=O)CCNC(=O)N 1458a_100000181464_100011215641 [0,1,0,0,0,0|2,0,1]=4 2289 B13R0.1398 CC(=O)CCCC(=O)CCSC(=O)C 1458a_100000048949_100011215641 [0,1,0,0,0,0|2,0,1]=4 2290 B13R0.1398 CC(=O)CCCC(=O)COCC(=O)N 1458a_100011219004_100011215641 [0,1,0,0,0,0|2,0,1]=4 2291 B13R0.1398 CC(=O)CCCC(=O)COCC(C)C 1458a_100011223364_100011215641 [0,1,0,0,0,0|2,0,0]=3 2292 B13R0.1398 CC(=O)CCCN(C)CCCC(=O)O 269956a_100000719178_100011215641 [0,1,0,0,0,0|2,0,1]=4 2293 B13R0.1398 CC(=O)NCCC(=O)CCCC(=O)N 1458a_100000183196_100102525003 [0,1,0,0,0,0|2,0,1]=4 2294 B13R0.1398 CC(=O)NCCC(=O)CCCC(C)C 1458a_100000183196_100011214892 [0,1,0,0,0,0|2,0,0]=3 2295 B13R0.1398 CC(=O)NCCC(=O)CCCC(C)C 1458a_100011216857_100000189650 [0,1,0,0,0,0|2,0,0]=3 2296 B13R0.1398 CC(=O)NCCC(=O)CCCC(C)O 1458a_100000183196_200000718107 [0,1,0,0,0,0|2,0,0]=3 2297 B13R0.1398 CC(=O)NCCC(=O)CCCN(C)C 1458a_100000183196_100000695564 [0,1,0,0,0,0|3,0,0]=4 2298 B13R0.1398 CC(=O)NCCC(=O)CCOC(C)C 1458a_100000183196_100000211751 [0,1,0,0,0,0|3,0,0]=4 2299 B13R0.1398 CC(=O)NCCC(=O)CCSC(C)C 1458a_100000183196_100000730970 [0,1,0,0,0,0|3,0,0]=4 2300 B13R0.1398 CC(=O)NCCC(=O)COCC(C)C 1458a_100011223364_100000189650 [0,1,0,0,0,0|3,0,0]=4 2301 B13R0.1398 CC(=O)NCCC(=O)NCCC(C)C 11a_100000210545_100000183196 [0,1,0,0,0,0|3,0,0]=4 2302 B13R0.1398 CC(=O)NCCC(=O)NCCC(C)C 1626a_100000210545_100000183196 [0,1,0,0,0,0|3,0,0]=4 2303 B13R0.1398 CC(=O)NCCC(=O)NCCC(C)C 240690a_100000210545_100000183196 [0,1,0,0,0,0|3,0,0]=4 2304 B13R0.1398 CC(=O)NCCC(=O)NCCC(C)C 527a_100000210545_100000183196 [0,1,0,0,0,0|3,0,0]=4 2305 B13R0.1398 CC(=O)NCCC(=O)NCCC(C)O 240690a_200000755665_100000183196 [0,1,0,0,0,0|3,0,0]=4 2306 B13R0.1398 CC(=O)NCCC(=O)NCCC(C)O 527a_200000755665_100000183196 [0,1,0,0,0,0|3,0,0]=4 2307 B13R0.1398 CC(=O)OCCC(=O)CCCC(C)C 1458a_100011216857_100009814007 [0,1,0,0,0,0|2,0,0]=3 2308 B13R0.1398 CC(=O)OCCC(=O)COCC(C)C 1458a_100011223364_100009814007 [0,1,0,0,0,0|3,0,0]=4 2309 B13R0.1398 CC(=O)SCCC(=O)CCCC(=O)N 1458a_100000048949_100102525003 [0,1,0,0,0,0|2,0,1]=4 2310 B13R0.1398 CC(=O)SCCC(=O)CCCC(C)C 1458a_100000048949_100011214892 [0,1,0,0,0,0|2,0,0]=3 2311 B13R0.1398 CC(=O)SCCC(=O)CCCC(C)O 1458a_100000048949_200000718107 [0,1,0,0,0,0|2,0,0]=3 2312 B13R0.1398 CC(=O)SCCC(=O)CCCN(C)C 1458a_100000048949_100000695564 [0,1,0,0,0,0|3,0,0]=4 2313 B13R0.1398 CC(=O)SCCC(=O)CCOC(C)C 1458a_100000048949_100000211751 [0,1,0,0,0,0|3,0,0]=4 2314 B13R0.1398 CC(=O)SCCC(=O)CCSC(C)C 1458a_100000048949_100000730970 [0,1,0,0,0,0|3,0,0]=4 2315 B13R0.1398 CC(=O)SCCC(=O)NCCC(C)C 1626a_100000210545_100000048949 [0,1,0,0,0,0|3,0,0]=4 2316 B13R0.1398 CC(=O)SCCC(=O)NCCC(C)C 240690a_100000210545_100000048949 [0,1,0,0,0,0|3,0,0]=4 2317 B13R0.1398 CC(=O)SCCC(=O)NCCC(C)O 240690a_200000755665_100000048949 [0,1,0,0,0,0|3,0,0]=4 2318 B13R0.1398 CC(C)/C=C/CC(=O)CCCC(=O)N 1458a_100016292215_100102525003 [0,1,0,0,0,0|1,0,2]=4 2319 B13R0.1398 CC(C)CCCC(=O)CCC=C(F)F 1458a_100011216857_200009816681 [0,1,0,0,0,0|2,0,1]=4 2320 B13R0.1398 CC(C)CCCC(=O)CCCC(=O)N 1458a_100011216857_100102525003 [0,1,0,0,0,0|1,0,0]=2 2321 B13R0.1398 CC(C)CCCC(=O)CCCC(C)C 1458a_100011216857_100011214892 [0,1,0,0,0,0|2,0,1]=4 2322 B13R0.1398 CC(C)CCCC(=O)CCCC(C)O 1458a_100011216857_200000718107 [0,1,0,0,0,0|1,0,1]=3 2323 B13R0.1398 CC(C)CCCC(=O)CCCN(C)C 1458a_100011216857_100000695564 [0,1,0,0,0,0|3,0,0]=4 2324 B13R0.1398 CC(C)CCCC(=O)CCC[N+](=O)[O-] 1458a_100016109205_100011214892 [0,1,0,0,0,0|1,0,1]=3 2325 B13R0.1398 CC(C)CCCC(=O)CCN=C(N)N 1458a_100000033030_100011214892 [0,1,0,0,0,0|3,0,0]=4 2326 B13R0.1398 CC(C)CCCC(=O)CCNC(=O)N 1458a_100000181464_100011214892 [0,1,0,0,0,0|2,0,0]=3 2327 B13R0.1398 CC(C)CCCC(=O)CCNC(=O)N 1458a_100011216857_200000034859 [0,1,0,0,0,0|2,0,0]=3 2328 B13R0.1398 CC(C)CCCC(=O)CCOC(=O)N 1458a_100011216857_200011214921 [0,1,0,0,0,0|2,0,0]=3 2329 B13R0.1398 CC(C)CCCC(=O)COCC(=O)N 1458a_100011219004_100011214892 [0,1,0,0,0,0|2,0,0]=3 2330 B13R0.1398 CC(C)CCCC(=O)NCCC(=O)N 11a_100000740010_100011216857 [0,1,0,0,0,0|2,0,0]=3 2331 B13R0.1398 CC(C)CCCC(=O)NCCC(=O)N 240690a_100000740010_100011216857 [0,1,0,0,0,0|2,0,0]=3 2332 B13R0.1398 CC(C)CCCC(=O)NCCC(=O)N 527a_100000740010_100011216857 [0,1,0,0,0,0|2,0,0]=3 2333 B13R0.1398 CC(C)CCCC(=O)NCCC(C)O 240690a_200000755665_100011216857 [0,1,0,0,0,0|2,0,1]=4 2334 B13R0.1398 CC(C)CCCC(=O)NCCC(C)O 527a_200000755665_100011216857 [0,1,0,0,0,0|2,0,1]=4 2335 B13R0.1398 CC(C)CCCN(C)CCCC(=O)O 269956a_100000719178_100011214892 [0,1,0,0,0,0|2,0,0]=3 2336 B13R0.1398 CC(C)CCNC(=O)CCCC(C)O 1626a_100000210545_100000761597 [0,1,0,0,0,0|2,0,1]=4 2337 B13R0.1398 CC(C)CCNC(=O)CCCC(C)O 527a_100000210545_100000761597 [0,1,0,0,0,0|2,0,1]=4 2338 B13R0.1398 CC(C)CCNC(=O)CCC[N+](=O)[O-] 11a_100000210545_100016109205 [0,1,0,0,0,0|2,0,1]=4 2339 B13R0.1398 CC(C)CCNC(=O)CCC[N+](=O)[O-] 1626a_100000210545_100016109205 [0,1,0,0,0,0|2,0,1]=4 2340 B13R0.1398 CC(C)CCNC(=O)CCC[N+](=O)[O-] 240690a_100000210545_100016109205 [0,1,0,0,0,0|2,0,1]=4 2341 B13R0.1398 CC(C)CCNC(=O)CCC[N+](=O)[O-] 527a_100000210545_100016109205 [0,1,0,0,0,0|2,0,1]=4 2342 B13R0.1398 CC(C)CCNC(=O)CCNC(=O)N 240690a_100000210545_100000181464 [0,1,0,0,0,0|3,0,0]=4 2343 B13R0.1398 CC(C)CCNC(=O)CCNC(=O)N 527a_100000210545_100000181464 [0,1,0,0,0,0|3,0,0]=4 2344 B13R0.1398 CC(C)CCNC(=O)COCC(=O)N 1626a_100000210545_100011219004 [0,1,0,0,0,0|3,0,0]=4 2345 B13R0.1398 CC(C)CCNC(=O)COCC(=O)N 240690a_100000210545_100011219004 [0,1,0,0,0,0|3,0,0]=4 2346 B13R0.1398 CC(C)CCNC(=O)COCC(=O)N 527a_100000210545_100011219004 [0,1,0,0,0,0|3,0,0]=4 2347 B13R0.1398 CC(C)CCNC(=O)CSCC(=O)N 11a_100000210545_100000150265 [0,1,0,0,0,0|3,0,0]=4 2348 B13R0.1398 CC(C)CCNC(=O)CSCC(=O)N 240690a_100000210545_100000150265 [0,1,0,0,0,0|3,0,0]=4 2349 B13R0.1398 CC(C)CCNC(=O)CSCC(=O)N 527a_100000210545_100000150265 [0,1,0,0,0,0|3,0,0]=4 2350 B13R0.1398 CC(C)CCNC(=O)NCCC(=O)N 2708a_100000210545_100000740010 [0,1,0,0,0,0|3,0,0]=4 2351 B13R0.1398 CC(C)CCNC(=O)NCCC(=O)N 273464a_100000210545_100000740010 [0,1,0,0,0,0|3,0,0]=4 2352 B13R0.1398 CC(C)CCNC(=O)NCCC(=O)N 273464a_100000740010_100000210545 [0,1,0,0,0,0|3,0,0]=4 2353 B13R0.1398 CC(C)CCNC(=O)NCCC(=O)N 512a_100000210545_100000740010 [0,1,0,0,0,0|3,0,0]=4 2354 B13R0.1398 CC(C)CNCC(=O)NCCC(=O)N 2230a_200138414118_100000210760 [0,1,0,0,0,0|3,0,0]=4 2355 B13R0.1398 CC(C)COCC(=O)CCCC(=O)N 1458a_100011223364_100102525003 [0,1,0,0,0,0|2,0,0]=3 2356 B13R0.1398 CC(C)COCC(=O)CCCC(C)O 1458a_100011223364_200000718107 [0,1,0,0,0,0|2,0,1]=4 2357 B13R0.1398 CC(C)COCC(=O)CCNC(=O)N 1458a_100011223364_200000034859 [0,1,0,0,0,0|3,0,0]=4 2358 B13R0.1398 CC(C)COCC(=O)CCOC(=O)N 1458a_100011223364_200011214921 [0,1,0,0,0,0|3,0,0]=4 2359 B13R0.1398 CC(C)COCC(=O)NCCC(=O)N 11a_100000740010_100011223364 [0,1,0,0,0,0|3,0,0]=4 2360 B13R0.1398 CC(C)COCC(=O)NCCC(=O)N 240690a_100000740010_100011223364 [0,1,0,0,0,0|3,0,0]=4 2361 B13R0.1398 CC(C)COCC(=O)NCCC(=O)N 527a_100000740010_100011223364 [0,1,0,0,0,0|3,0,0]=4 2362 B13R0.1398 CC(C)OCCC(=O)CCC[N+](=O)[O-] 1458a_100016109205_100000211751 [0,1,0,0,0,0|2,0,1]=4 2363 B13R0.1398 CC(C)OCCC(=O)CCNC(=O)N 1458a_100000181464_100000211751 [0,1,0,0,0,0|3,0,0]=4 2364 B13R0.1398 CC(C)OCCC(=O)COCC(=O)N 1458a_100011219004_100000211751 [0,1,0,0,0,0|3,0,0]=4 2365 B13R0.1398 CC(C)OCCN(C)CCCC(=O)O 269956a_100000719178_100000211751 [0,1,0,0,0,0|3,0,0]=4 2366 B13R0.1398 CC(C)SCCC(=O)CCC[N+](=O)[O-] 1458a_100016109205_100000730970 [0,1,0,0,0,0|2,0,1]=4 2367 B13R0.1398 CC(C)SCCC(=O)CCNC(=O)N 1458a_100000181464_100000730970 [0,1,0,0,0,0|3,0,0]=4 2368 B13R0.1398 CC(C)SCCC(=O)COCC(=O)N 1458a_100011219004_100000730970 [0,1,0,0,0,0|3,0,0]=4 2369 B13R0.1398 CC(C)SCCN(C)CCCC(=O)O 269956a_100000719178_100000730970 [0,1,0,0,0,0|3,0,0]=4 2370 B13R0.1398 CC(O)CCCC(=O)CCC[N+](=O)[O-] 1458a_100016109205_200000718107 [0,1,0,0,0,0|1,0,1]=3 2371 B13R0.1398 CC(O)CCCC(=O)CCN=C(N)N 1458a_100000033030_200000718107 [0,1,0,0,0,0|3,0,0]=4 2372 B13R0.1398 CC(O)CCCC(=O)CCNC(=O)N 1458a_100000181464_200000718107 [0,1,0,0,0,0|2,0,0]=3 2373 B13R0.1398 CC(O)CCCC(=O)COCC(=O)N 1458a_100011219004_200000718107 [0,1,0,0,0,0|2,0,0]=3 2374 B13R0.1398 CC(O)CCCC(=O)NCCC(=O)N 527a_100000740010_100000761597 [0,1,0,0,0,0|2,0,0]=3 2375 B13R0.1398 CC(O)CCCC(=O)NCCC(C)O 527a_200000755665_100000761597 [0,1,0,0,0,0|2,0,1]=4 2376 B13R0.1398 CC(O)CCCN(C)CCCC(=O)O 269956a_100000719178_200000718107 [0,1,0,0,0,0|2,0,0]=3 2377 B13R0.1398 CC(O)CCNC(=O)CCC[N+](=O)[O-] 240690a_200000755665_100016109205 [0,1,0,0,0,0|2,0,1]=4 2378 B13R0.1398 CC(O)CCNC(=O)CCC[N+](=O)[O-] 527a_200000755665_100016109205 [0,1,0,0,0,0|2,0,1]=4 2379 B13R0.1398 CC(O)CCNC(=O)CCNC(=O)N 240690a_200000755665_100000181464 [0,1,0,0,0,0|3,0,0]=4 2380 B13R0.1398 CC(O)CCNC(=O)CCNC(=O)N 527a_200000755665_100000181464 [0,1,0,0,0,0|3,0,0]=4 2381 B13R0.1398 CC(O)CCNC(=O)COCC(=O)N 240690a_200000755665_100011219004 [0,1,0,0,0,0|3,0,0]=4 2382 B13R0.1398 CC(O)CCNC(=O)COCC(=O)N 527a_200000755665_100011219004 [0,1,0,0,0,0|3,0,0]=4 2383 B13R0.1398 CC(O)CCNC(=O)CSCC(=O)N 240690a_200000755665_100000150265 [0,1,0,0,0,0|3,0,0]=4 2384 B13R0.1398 CC(O)CCNC(=O)CSCC(=O)N 527a_200000755665_100000150265 [0,1,0,0,0,0|3,0,0]=4 2385 B13R0.1398 CC(O)CCNC(=O)NCCC(=O)N 273464a_200000755665_100000740010 [0,1,0,0,0,0|3,0,0]=4 2386 B13R0.1398 CC(O)CCNC(=O)NCCC(=O)N 512a_200000755665_100000740010 [0,1,0,0,0,0|3,0,0]=4 2387 B13R0.1398 CC(O)CNCC(=O)NCCC(=O)N 2230a_200138414118_100011218427 [0,1,0,0,0,0|3,0,0]=4 2388 B13R0.1398 CN(C)CCCC(=O)CCC[N+](=O)[O-] 1458a_100016109205_100000695564 [0,1,0,0,0,0|2,0,1]=4 2389 B13R0.1398 CN(C)CCCC(=O)CCNC(=O)N 1458a_100000181464_100000695564 [0,1,0,0,0,0|3,0,0]=4 2390 B13R0.1398 CN(C)CCCC(=O)COCC(=O)N 1458a_100011219004_100000695564 [0,1,0,0,0,0|3,0,0]=4 2391 B13R0.1398 CN(C)CCCC(=O)NCCC(=O)N 11a_100000740010_100000740757 [0,1,0,0,0,0|3,0,0]=4 2392 B13R0.1398 CN(C)CCCC(=O)NCCC(=O)N 240690a_100000740010_100000740757 [0,1,0,0,0,0|3,0,0]=4 2393 B13R0.1398 CN(C)CCCN(C)CCCC(=O)O 269956a_100000719178_100000757444 [0,1,0,0,0,0|3,0,0]=4 2394 B13R0.1398 C[C@@H](O)CNCC(=O)NCCC(=O)N 2230a_200138414118_100009817552 [0,1,0,0,0,0|3,0,0]=4 2395 B13R0.1398 NC(=O)CCCC(=O)CCC[N+](=O)[O-] 1458a_100016109205_100102525003 [0,1,0,0,0,0|3,0,0]=4 2396 B13R1.23 C#CCCCC(=O)C1CCC(=O)N1 1458a_100000210400_100000731252 [0,0,0,1,0,0|1,0,2]=4 2397 B13R1.23 C#CCCCC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_100000731252 [0,0,0,1,0,0|0,0,2]=3 2398 B13R1.23 C#CCCNC(=O)[C@@H]1CCC(=O)O1 11a_100000755551_100009814974 [0,0,0,1,0,0|1,0,2]=4 2399 B13R1.23 C#CCCNC(=O)[C@@H]1CCC(=O)O1 1626a_100000755551_100009814974 [0,0,0,1,0,0|1,0,2]=4 2400 B13R1.23 C#CCCNC(=O)[C@@H]1CCC(=O)O1 240690a_100000755551_100009814974 [0,0,0,1,0,0|1,0,2]=4 2401 B13R1.23 C#CCCNC(=O)[C@@H]1CCC(=O)O1 527a_100000755551_100009814974 [0,0,0,1,0,0|1,0,2]=4 2402 B13R1.23 C=CCCCC(=O)C1CCC(=O)N1 1458a_100000210400_100000757094 [0,0,0,1,0,0|1,0,2]=4 2403 B13R1.23 C=CCCCC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_100000757094 [0,0,0,1,0,0|0,0,2]=3 2404 B13R1.23 C=CCCNC(=O)[C@@H]1CCC(=O)O1 11a_100015191253_100009814974 [0,0,0,1,0,0|1,0,2]=4 2405 B13R1.23 C=CCCNC(=O)[C@@H]1CCC(=O)O1 1626a_100015191253_100009814974 [0,0,0,1,0,0|1,0,2]=4 2406 B13R1.23 C=CCCNC(=O)[C@@H]1CCC(=O)O1 240690a_100015191253_100009814974 [0,0,0,1,0,0|1,0,2]=4 2407 B13R1.23 C=CCCNC(=O)[C@@H]1CCC(=O)O1 527a_100015191253_100009814974 [0,0,0,1,0,0|1,0,2]=4 2408 B13R1.23 C=COCCC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_100000039644 [0,0,0,1,0,0|1,0,2]=4 2409 B13R1.23 CC#CCNC(=O)[C@@H]1CCC(=O)O1 11a_100000685387_100009814974 [0,0,0,1,0,0|1,0,2]=4 2410 B13R1.23 CC#CCNC(=O)[C@@H]1CCC(=O)O1 1626a_100000685387_100009814974 [0,0,0,1,0,0|1,0,2]=4 2411 B13R1.23 CC#CCNC(=O)[C@@H]1CCC(=O)O1 527a_100000685387_100009814974 [0,0,0,1,0,0|1,0,2]=4 2412 B13R1.23 CC/C=C\CC(=O)C1CCC(=O)N1 1458a_100000210400_100103147603 [0,0,0,1,0,0|1,0,2]=4 2413 B13R1.23 CC/C=C\CC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_100103147603 [0,0,0,1,0,0|0,0,2]=3 2414 B13R1.23 CCC#CCC(=O)C1CCC(=O)N1 1458a_100000210400_100009813939 [0,0,0,1,0,0|1,0,2]=4 2415 B13R1.23 CCC#CCC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_100009813939 [0,0,0,1,0,0|0,0,2]=3 2416 B13R1.23 CCCCCC(=O)C1CCC(=O)N1 1458a_100000210400_100000210326 [0,0,0,1,0,0|1,0,0]=2 2417 B13R1.23 CCCCCC(=O)C1CCC(C1)O 1458a_100000688591_100000210326 [0,0,0,1,0,0|1,0,1]=3 2418 B13R1.23 CCCCCC(=O)C1CCN(C1)C 1458a_100000739633_100000210326 [0,0,0,1,0,0|3,0,0]=4 2419 B13R1.23 CCCCCC(=O)C1CNC(=O)C1 1458a_100000747279_100000210326 [0,0,0,1,0,0|2,0,0]=3 2420 B13R1.23 CCCCCC(=O)C1CNC(=O)N1 1458a_100000033324_100000210326 [0,0,0,1,0,0|2,0,0]=3 2421 B13R1.23 CCCCCC(=O)C1CSC(=N1)N 1458a_100000002200_100000210326 [0,0,0,1,0,0|3,0,0]=4 2422 B13R1.23 CCCCCC(=O)N1CCC(C1)O 240690a_100011215560_100000212188 [0,0,0,1,0,0|2,0,1]=4 2423 B13R1.23 CCCCCC(=O)N1CCC(C1)O 527a_100011215560_100000212188 [0,0,0,1,0,0|2,0,1]=4 2424 B13R1.23 CCCCCC(=O)N1CNC(=O)C1 11a_200000708111_100000212188 [0,0,0,1,0,0|3,0,0]=4 2425 B13R1.23 CCCCCC(=O)N1CNC(=O)C1 1626a_200000708111_100000212188 [0,0,0,1,0,0|3,0,0]=4 2426 B13R1.23 CCCCCC(=O)N1CNC(=O)C1 240690a_200000708111_100000212188 [0,0,0,1,0,0|3,0,0]=4 2427 B13R1.23 CCCCCC(=O)N1CNC(=O)C1 527a_200000708111_100000212188 [0,0,0,1,0,0|3,0,0]=4 2428 B13R1.23 CCCCCC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_100000210326 [0,0,0,1,0,0|0,0,0]=1 2429 B13R1.23 CCCCCC(=O)[C@@H]1CSC(=O)N1 1458a_100000735014_100000210326 [0,0,0,1,0,0|2,0,0]=3 2430 B13R1.23 CCCCNC(=O)C1CCC(=O)N1 240690a_100000102301_100000210400 [0,0,0,1,0,0|2,0,0]=3 2431 B13R1.23 CCCCNC(=O)C1CCC(C1)O 1626a_100000102301_100000688591 [0,0,0,1,0,0|2,0,1]=4 2432 B13R1.23 CCCCNC(=O)C1CCC(C1)O 240690a_100000102301_100000688591 [0,0,0,1,0,0|2,0,1]=4 2433 B13R1.23 CCCCNC(=O)C1CNC(=O)C1 11a_100000102301_100000747279 [0,0,0,1,0,0|3,0,0]=4 2434 B13R1.23 CCCCNC(=O)C1CNC(=O)C1 1626a_100000102301_100000747279 [0,0,0,1,0,0|3,0,0]=4 2435 B13R1.23 CCCCNC(=O)C1CNC(=O)C1 240690a_100000102301_100000747279 [0,0,0,1,0,0|3,0,0]=4 2436 B13R1.23 CCCCNC(=O)C1CNC(=O)C1 527a_100000102301_100000747279 [0,0,0,1,0,0|3,0,0]=4 2437 B13R1.23 CCCCNC(=O)C1CNC(=O)N1 11a_100000102301_100000033324 [0,0,0,1,0,0|3,0,0]=4 2438 B13R1.23 CCCCNC(=O)C1CNC(=O)N1 240690a_100000102301_100000033324 [0,0,0,1,0,0|3,0,0]=4 2439 B13R1.23 CCCCNC(=O)[C@@H]1CCC(=O)O1 11a_100000102301_100009814974 [0,0,0,1,0,0|1,0,0]=2 2440 B13R1.23 CCCCNC(=O)[C@@H]1CCC(=O)O1 1626a_100000102301_100009814974 [0,0,0,1,0,0|1,0,0]=2 2441 B13R1.23 CCCCNC(=O)[C@@H]1CCC(=O)O1 240690a_100000102301_100009814974 [0,0,0,1,0,0|1,0,0]=2 2442 B13R1.23 CCCCNC(=O)[C@@H]1CCC(=O)O1 527a_100000102301_100009814974 [0,0,0,1,0,0|1,0,0]=2 2443 B13R1.23 CCCCNC(=O)[C@@H]1CSC(=O)N1 240690a_100000102301_100000735014 [0,0,0,1,0,0|3,0,0]=4 2444 B13R1.23 CCCNNC(=O)C1CCC(=O)N1 22a_100000740057_100000210400 [0,0,0,1,0,0|3,0,0]=4 2445 B13R1.23 CCCNNC(=O)[C@@H]1CCC(=O)O1 22a_100000740057_100009814974 [0,0,0,1,0,0|2,0,0]=3 2446 B13R1.23 CCOCCC(=O)C1CCC(=O)N1 1458a_100000210400_100011215890 [0,0,0,1,0,0|2,0,0]=3 2447 B13R1.23 CCOCCC(=O)C1CCC(C1)O 1458a_100000688591_100011215890 [0,0,0,1,0,0|2,0,1]=4 2448 B13R1.23 CCOCCC(=O)C1CNC(=O)C1 1458a_100000747279_100011215890 [0,0,0,1,0,0|3,0,0]=4 2449 B13R1.23 CCOCCC(=O)C1CNC(=O)N1 1458a_100000033324_100011215890 [0,0,0,1,0,0|3,0,0]=4 2450 B13R1.23 CCOCCC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_100011215890 [0,0,0,1,0,0|1,0,0]=2 2451 B13R1.23 CCOCCC(=O)[C@@H]1CSC(=O)N1 1458a_100000735014_100011215890 [0,0,0,1,0,0|3,0,0]=4 2452 B13R1.23 CCSCCC(=O)C1CCC(=O)N1 1458a_100000210400_100000757381 [0,0,0,1,0,0|2,0,0]=3 2453 B13R1.23 CCSCCC(=O)C1CCC(C1)O 1458a_100000688591_100000757381 [0,0,0,1,0,0|2,0,1]=4 2454 B13R1.23 CCSCCC(=O)C1CNC(=O)C1 1458a_100000747279_100000757381 [0,0,0,1,0,0|3,0,0]=4 2455 B13R1.23 CCSCCC(=O)C1CNC(=O)N1 1458a_100000033324_100000757381 [0,0,0,1,0,0|3,0,0]=4 2456 B13R1.23 CCSCCC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_100000757381 [0,0,0,1,0,0|1,0,0]=2 2457 B13R1.23 CCSCCC(=O)[C@@H]1CSC(=O)N1 1458a_100000735014_100000757381 [0,0,0,1,0,0|3,0,0]=4 2458 B13R1.23 COCCCC(=O)C1CCC(=O)N1 1458a_100000210400_100000740836 [0,0,0,1,0,0|2,0,0]=3 2459 B13R1.23 COCCCC(=O)C1CCC(C1)O 1458a_100000688591_100000740836 [0,0,0,1,0,0|2,0,1]=4 2460 B13R1.23 COCCCC(=O)C1CNC(=O)C1 1458a_100000747279_100000740836 [0,0,0,1,0,0|3,0,0]=4 2461 B13R1.23 COCCCC(=O)C1CNC(=O)N1 1458a_100000033324_100000740836 [0,0,0,1,0,0|3,0,0]=4 2462 B13R1.23 COCCCC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_100000740836 [0,0,0,1,0,0|1,0,0]=2 2463 B13R1.23 COCCCC(=O)[C@@H]1CSC(=O)N1 1458a_100000735014_100000740836 [0,0,0,1,0,0|3,0,0]=4 2464 B13R1.23 COCCNC(=O)C1CCC(=O)N1 240690a_100000209980_100000210400 [0,0,0,1,0,0|3,0,0]=4 2465 B13R1.23 COCCNC(=O)[C@@H]1CCC(=O)O1 1626a_100000209980_100009814974 [0,0,0,1,0,0|2,0,0]=3 2466 B13R1.23 COCCNC(=O)[C@@H]1CCC(=O)O1 240690a_100000209980_100009814974 [0,0,0,1,0,0|2,0,0]=3 2467 B13R1.23 COCCNC(=O)[C@@H]1CCC(=O)O1 527a_100000209980_100009814974 [0,0,0,1,0,0|2,0,0]=3 2468 B13R1.23 CSCCNC(=O)C1CCC(=O)N1 240690a_100020590264_100000210400 [0,0,0,1,0,0|3,0,0]=4 2469 B13R1.23 CSCCNC(=O)[C@@H]1CCC(=O)O1 11a_100020590264_100009814974 [0,0,0,1,0,0|2,0,0]=3 2470 B13R1.23 CSCCNC(=O)[C@@H]1CCC(=O)O1 1626a_100020590264_100009814974 [0,0,0,1,0,0|2,0,0]=3 2471 B13R1.23 CSCCNC(=O)[C@@H]1CCC(=O)O1 240690a_100020590264_100009814974 [0,0,0,1,0,0|2,0,0]=3 2472 B13R1.23 CSCCNC(=O)[C@@H]1CCC(=O)O1 527a_100020590264_100009814974 [0,0,0,1,0,0|2,0,0]=3 2473 B13R1.23 N#CCCCC(=O)C1CCC(=O)N1 1458a_100000210400_100000211468 [0,0,0,1,0,0|2,0,1]=4 2474 B13R1.23 N#CCCCC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_100000211468 [0,0,0,1,0,0|1,0,1]=3 2475 B13R1.23 N#CCCNC(=O)[C@@H]1CCC(=O)O1 11a_100000720768_100009814974 [0,0,0,1,0,0|2,0,1]=4 2476 B13R1.23 N#CCCNC(=O)[C@@H]1CCC(=O)O1 1626a_100000720768_100009814974 [0,0,0,1,0,0|2,0,1]=4 2477 B13R1.23 N#CCCNC(=O)[C@@H]1CCC(=O)O1 240690a_100000720768_100009814974 [0,0,0,1,0,0|2,0,1]=4 2478 B13R1.23 N#CCCNC(=O)[C@@H]1CCC(=O)O1 527a_100000720768_100009814974 [0,0,0,1,0,0|2,0,1]=4 2479 B13R1.23 O=C(CCCCF)C1CCC(C1)O 1458a_100000688591_100000729493 [0,0,0,1,0,0|2,0,1]=4 2480 B13R1.23 O=C(CCCCO)C1CCC(C1)O 1458a_100000688591_100000210776 [0,0,0,1,0,0|2,0,1]=4 2481 B13R1.23 O=C1CC(CN1)C(=O)CCCCF 1458a_100000747279_100000729493 [0,0,0,1,0,0|3,0,0]=4 2482 B13R1.23 O=C1CC(CN1)C(=O)CCCCO 1458a_100000747279_100000210776 [0,0,0,1,0,0|3,0,0]=4 2483 B13R1.23 O=C1CCC(N1)C(=O)CCCCF 1458a_100000210400_100000729493 [0,0,0,1,0,0|2,0,0]=3 2484 B13R1.23 O=C1CCC(N1)C(=O)CCCCO 1458a_100000210400_100000210776 [0,0,0,1,0,0|2,0,0]=3 2485 B13R1.23 O=C1CCC(N1)C(=O)NCCCF 240690a_100015189416_100000210400 [0,0,0,1,0,0|3,0,0]=4 2486 B13R1.23 O=C1CCC(N1)C(=O)NCCCO 240690a_100000182051_100000210400 [0,0,0,1,0,0|3,0,0]=4 2487 B13R1.23 O=C1CC[C@H](O1)C(=O)CC#CCO 1458a_100009814974_200000047223 [0,0,0,1,0,0|1,0,2]=4 2488 B13R1.23 O=C1CC[C@H](O1)C(=O)CCCCF 1458a_100009814974_100000729493 [0,0,0,1,0,0|1,0,0]=2 2489 B13R1.23 O=C1CC[C@H](O1)C(=O)CCCCO 1458a_100009814974_100000210776 [0,0,0,1,0,0|1,0,0]=2 2490 B13R1.23 O=C1CC[C@H](O1)C(=O)NCCCF 11a_100015189416_100009814974 [0,0,0,1,0,0|2,0,0]=3 2491 B13R1.23 O=C1CC[C@H](O1)C(=O)NCCCF 1626a_100015189416_100009814974 [0,0,0,1,0,0|2,0,0]=3 2492 B13R1.23 O=C1CC[C@H](O1)C(=O)NCCCF 240690a_100015189416_100009814974 [0,0,0,1,0,0|2,0,0]=3 2493 B13R1.23 O=C1CC[C@H](O1)C(=O)NCCCF 527a_100015189416_100009814974 [0,0,0,1,0,0|2,0,0]=3 2494 B13R1.23 O=C1CC[C@H](O1)C(=O)NCCCO 240690a_100000182051_100009814974 [0,0,0,1,0,0|2,0,0]=3 2495 B13R1.23 O=C1CC[C@H](O1)C(=O)NCCCO 527a_100000182051_100009814974 [0,0,0,1,0,0|2,0,0]=3 2496 B13R1.23 O=C1CC[C@H](O1)C(=O)NNCCO 22a_100000210001_100009814974 [0,0,0,1,0,0|3,0,0]=4 2497 B13R1.23 O=C1NCC(N1)C(=O)CCCCF 1458a_100000033324_100000729493 [0,0,0,1,0,0|3,0,0]=4 2498 B13R1.23 O=C1NCC(N1)C(=O)CCCCO 1458a_100000033324_100000210776 [0,0,0,1,0,0|3,0,0]=4 2499 B13R1.23 O=C1N[C@@H](CS1)C(=O)CCCCF 1458a_100000735014_100000729493 [0,0,0,1,0,0|3,0,0]=4 2500 B13R1.23 O=C1N[C@@H](CS1)C(=O)CCCCO 1458a_100000735014_100000210776 [0,0,0,1,0,0|3,0,0]=4 2501 B13R1.149 CC(=O)CCCN1CCC[C@@H](C1)C 269982a_100000717927_100011215641 [0,0,0,1,0,0|3,0,0]=4 2502 B13R1.149 CC(=O)CCCN1CCC[C@@H](C1)C 34a_100000717927_100000685027 [0,0,0,1,0,0|3,0,0]=4 2503 B13R1.149 C[C@H]1CCCN(C1)CCCC(=O)N 269982a_100000717927_100102525003 [0,0,0,1,0,0|3,0,0]=4 2504 B13R1.149 C[C@H]1CCCN(C1)CCCC(=O)N 34a_100000717927_100102525003 [0,0,0,1,0,0|3,0,0]=4 2505 B13R1.280 C=C(C)CSC1CCCCCC1=O 62a_100000243696_100000211660 [0,0,0,1,0,0|3,0,0]=4 2506 B13R1.280 C=C(C)CSC1CCCCCC1=O 62a_100000748629_100000243696 [0,0,0,1,0,0|3,0,0]=4 2507 B13R1.280 C=C(F)CSC1CCCCCC1=O 62a_100000042424_100000243696 [0,0,0,1,0,0|3,0,0]=4 2508 B13R1.280 C=C(F)CSC1CCCCCC1=O 62a_100000243696_100000042424 [0,0,0,1,0,0|3,0,0]=4 2509 B13R1.280 CC(=O)CCN1CCCCCC1=O 1458a_200011207554_200000210301 [0,0,0,1,0,0|2,0,0]=3 2510 B13R1.280 CC(O)CSC1CCCCCC1=O 62a_100000243696_100011218427 [0,0,0,1,0,0|2,0,1]=4 2511 B13R1.280 CC(O)CSC1CCCCCC1=O 62a_100011218427_100000243696 [0,0,0,1,0,0|2,0,1]=4 2512 B13R1.280 C[C@@H](O)CSC1CCCCCC1=O 62a_100000243696_100009817552 [0,0,0,1,0,0|2,0,1]=4 2513 B13R1.280 C[C@@H](O)CSC1CCCCCC1=O 62a_100009817552_100000243696 [0,0,0,1,0,0|2,0,1]=4 2514 B13R1.280 NC(=O)CNC1CCCCNC1=O 2230a_100000698827_100000747473 [0,0,0,1,0,0|3,0,0]=4 2515 B13R1.280 NC(=O)CNC1CCCCNC1=O 2230a_100000711301_100000735217 [0,0,0,1,0,0|3,0,0]=4 2516 B13R1.280 NC(=O)CNC1CCCCNC1=O 34a_100000698827_100000187820 [0,0,0,1,0,0|3,0,0]=4 2517 B13R1.280 NC(=O)CSC1CCCCCC1=O 62a_100000243696_100000747473 [0,0,0,1,0,0|2,0,0]=3 2518 B13R1.280 NC(=O)CSC1CCCCCC1=O 62a_100000747473_100000243696 [0,0,0,1,0,0|2,0,0]=3 2519 B13R1.280 NC(=O)CSC1CCCCNC1=O 62a_100000735217_100000747473 [0,0,0,1,0,0|3,0,0]=4 2520 B13R1.280 NC(=O)CSC1CCCCNC1=O 62a_100000747473_100000735217 [0,0,0,1,0,0|3,0,0]=4 2521 B13R1.280 O=C(O)CNC1CCCCCC1=O 269956a_100016091260_100000243696 [0,0,0,1,0,0|1,0,0]=2 2522 B13R1.280 O=C(O)CNC1CCCCNC1=O 269956a_100016091260_100000735217 [0,0,0,1,0,0|2,0,0]=3 2523 B13R1.280 O=C([O-])CNC1CCCCNC1=O 34a_100000698827_100020667443 [0,0,0,1,0,0|2,0,1]=4 2524 B13R1.280 O=C([O-])CSC1CCCCCC1=O 62a_100000243696_100020667443 [0,0,0,1,0,0|1,0,1]=3 2525 B13R1.280 O=C([O-])CSC1CCCCCC1=O 62a_100020667443_100000243696 [0,0,0,1,0,0|1,0,1]=3 2526 B13R1.280 O=C([O-])CSC1CCCCNC1=O 62a_100000735217_100020667443 [0,0,0,1,0,0|2,0,1]=4 2527 B13R1.280 O=C([O-])CSC1CCCCNC1=O 62a_100020667443_100000735217 [0,0,0,1,0,0|2,0,1]=4 2528 B13R1.280 O=C1CCCCCC1SC[N+](=O)[O-] 62a_100000243696_100000761209 [0,0,0,1,0,0|2,0,1]=4 2529 B13R1.280 [13CH3]C(=O)CCN1CCCCCC1=O 1458a_200011207554_200025704644 [0,0,0,1,0,0|2,0,0]=3 2530 B13R1.342 CC(=CCCC(=O)C1CCCC1)C 1458a_100000210718_100011217483 [0,0,0,1,0,0|2,0,1]=4 2531 B13R1.342 CC(=O)CCCC(=O)C1=CCCC1 1458a_100000038896_100011215641 [0,0,0,1,0,0|1,0,2]=4 2532 B13R1.342 CC(=O)CCCC(=O)C1CC=CC1 1458a_100000759439_100011215641 [0,0,0,1,0,0|1,0,2]=4 2533 B13R1.342 CC(=O)CCCC(=O)C1CCCC1 1458a_100000210718_100011215641 [0,0,0,1,0,0|1,0,0]=2 2534 B13R1.342 CC(=O)CCCC(=O)C1CCCS1 1458a_100012002731_100011215641 [0,0,0,1,0,0|2,0,0]=3 2535 B13R1.342 CC(=O)CCCC(=O)C1CCOC1 1458a_100011219752_100011215641 [0,0,0,1,0,0|2,0,0]=3 2536 B13R1.342 CC(=O)CCCC(=O)N1CCCC1 1458a_100000199733_200000210301 [0,0,0,1,0,0|2,0,0]=3 2537 B13R1.342 CC(=O)CCCC(=O)[C@@H]1CCCO1 1458a_100000686382_100011215641 [0,0,0,1,0,0|2,0,0]=3 2538 B13R1.342 CC(=O)CCCN(C)C1CCCC1 269982a_100000207505_100011215641 [0,0,0,1,0,0|3,0,0]=4 2539 B13R1.342 CC(=O)CCCN(C)C1CCCC1 34a_100000207505_100000685027 [0,0,0,1,0,0|3,0,0]=4 2540 B13R1.342 CC(=O)COCC(=O)N1CCCC1 34a_100000211253_100000183516 [0,0,0,1,0,0|3,0,0]=4 2541 B13R1.342 CC(=O)NCCC(=O)C1CCCC1 1458a_100000183196_100000179811 [0,0,0,1,0,0|2,0,0]=3 2542 B13R1.342 CC(=O)NCCC(=O)C1CCCC1 1458a_100000210718_100000189650 [0,0,0,1,0,0|2,0,0]=3 2543 B13R1.342 CC(=O)NCCC(=O)C1CCCS1 1458a_100012002731_100000189650 [0,0,0,1,0,0|3,0,0]=4 2544 B13R1.342 CC(=O)NCCC(=O)C1CCOC1 1458a_100000183196_100000690089 [0,0,0,1,0,0|3,0,0]=4 2545 B13R1.342 CC(=O)NCCC(=O)C1CCOC1 1458a_100011219752_100000189650 [0,0,0,1,0,0|3,0,0]=4 2546 B13R1.342 CC(=O)NCCC(=O)N1CCCC1 11a_100015186530_100015343762 [0,0,0,1,0,0|3,0,0]=4 2547 B13R1.342 CC(=O)NCCC(=O)N1CCCC1 1626a_100015186530_100015343762 [0,0,0,1,0,0|3,0,0]=4 2548 B13R1.342 CC(=O)NCCC(=O)N1CCCC1 240690a_100000188435_100000183196 [0,0,0,1,0,0|3,0,0]=4 2549 B13R1.342 CC(=O)NCCC(=O)N1CCCC1 240690a_100015186530_100015343762 [0,0,0,1,0,0|3,0,0]=4 2550 B13R1.342 CC(=O)NCCC(=O)N1CCCC1 527a_100000188435_100000183196 [0,0,0,1,0,0|3,0,0]=4 2551 B13R1.342 CC(=O)NCCC(=O)N1CCCC1 527a_100015186530_100103153847 [0,0,0,1,0,0|3,0,0]=4 2552 B13R1.342 CC(=O)NCCC(=O)[C@@H]1CCCO1 1458a_100000686382_100000189650 [0,0,0,1,0,0|3,0,0]=4 2553 B13R1.342 CC(=O)OCCC(=O)C1CCCC1 1458a_100000210718_100009814007 [0,0,0,1,0,0|2,0,0]=3 2554 B13R1.342 CC(=O)OCCC(=O)C1CCCS1 1458a_100012002731_100009814007 [0,0,0,1,0,0|3,0,0]=4 2555 B13R1.342 CC(=O)OCCC(=O)C1CCOC1 1458a_100011219752_100009814007 [0,0,0,1,0,0|3,0,0]=4 2556 B13R1.342 CC(=O)OCCC(=O)[C@@H]1CCCO1 1458a_100000686382_100009814007 [0,0,0,1,0,0|3,0,0]=4 2557 B13R1.342 CC(=O)SCCC(=O)C1CCCC1 1458a_100000048949_100000179811 [0,0,0,1,0,0|2,0,0]=3 2558 B13R1.342 CC(=O)SCCC(=O)C1CCOC1 1458a_100000048949_100000690089 [0,0,0,1,0,0|3,0,0]=4 2559 B13R1.342 CC(=O)SCCC(=O)N1CCCC1 240690a_100000188435_100000048949 [0,0,0,1,0,0|3,0,0]=4 2560 B13R1.342 CC(C)CCCC(=O)C1CCCC1 1458a_100000210718_100011214892 [0,0,0,1,0,0|2,0,1]=4 2561 B13R1.342 CC(C)CCCC(=O)C1CCCC1 1458a_100011216857_100000179811 [0,0,0,1,0,0|2,0,1]=4 2562 B13R1.342 CC(O)CCCC(=O)C1CCCC1 1458a_100000210718_200000718107 [0,0,0,1,0,0|1,0,1]=3 2563 B13R1.342 CC(O)CCCC(=O)C1CCCS1 1458a_100012002731_200000718107 [0,0,0,1,0,0|2,0,1]=4 2564 B13R1.342 CC(O)CCCC(=O)C1CCOC1 1458a_100011219752_200000718107 [0,0,0,1,0,0|2,0,1]=4 2565 B13R1.342 CC(O)CCCC(=O)N1CCCC1 527a_100000188435_100000761597 [0,0,0,1,0,0|2,0,1]=4 2566 B13R1.342 CC(O)CCCC(=O)[C@@H]1CCCO1 1458a_100000686382_200000718107 [0,0,0,1,0,0|2,0,1]=4 2567 B13R1.342 CC(O)CCNC(=O)C1CCCC1 240690a_200000755665_100000210718 [0,0,0,1,0,0|2,0,1]=4 2568 B13R1.342 CC(O)CCNC(=O)C1CCCC1 527a_200000755665_100000210718 [0,0,0,1,0,0|2,0,1]=4 2569 B13R1.342 CN(C)CCCC(=O)C1CCCC1 1458a_100000210718_100000695564 [0,0,0,1,0,0|3,0,0]=4 2570 B13R1.342 CN(CCCC(=O)N)C1CCCC1 269982a_100000207505_100102525003 [0,0,0,1,0,0|3,0,0]=4 2571 B13R1.342 CN(CCCC(=O)N)C1CCCC1 34a_100000207505_100102525003 [0,0,0,1,0,0|3,0,0]=4 2572 B13R1.342 CN(CCCC(=O)O)C1CCCC1 269956a_100000719178_100000179811 [0,0,0,1,0,0|2,0,0]=3 2573 B13R1.342 CN(CCCC(=O)O)C1CCOC1 269956a_100000719178_100000731011 [0,0,0,1,0,0|3,0,0]=4 2574 B13R1.342 NC(=NCCC(=O)C1CCCC1)N 1458a_100000033030_100000179811 [0,0,0,1,0,0|3,0,0]=4 2575 B13R1.342 NC(=O)CCCC(=O)C1=CCCC1 1458a_100000038896_100102525003 [0,0,0,1,0,0|1,0,2]=4 2576 B13R1.342 NC(=O)CCCC(=O)C1CC=CC1 1458a_100000759439_100102525003 [0,0,0,1,0,0|1,0,2]=4 2577 B13R1.342 NC(=O)CCCC(=O)C1CCCC1 1458a_100000210718_100102525003 [0,0,0,1,0,0|1,0,0]=2 2578 B13R1.342 NC(=O)CCCC(=O)C1CCCS1 1458a_100012002731_100102525003 [0,0,0,1,0,0|2,0,0]=3 2579 B13R1.342 NC(=O)CCCC(=O)C1CCOC1 1458a_100011219752_100102525003 [0,0,0,1,0,0|2,0,0]=3 2580 B13R1.342 NC(=O)CCCC(=O)[C@@H]1CCCO1 1458a_100000686382_100102525003 [0,0,0,1,0,0|2,0,0]=3 2581 B13R1.342 NC(=O)CCNC(=O)C1CCCC1 11a_100000740010_100000210718 [0,0,0,1,0,0|2,0,0]=3 2582 B13R1.342 NC(=O)CCNC(=O)C1CCCC1 240690a_100000740010_100000210718 [0,0,0,1,0,0|2,0,0]=3 2583 B13R1.342 NC(=O)CCNC(=O)C1CCCC1 527a_100000740010_100000210718 [0,0,0,1,0,0|2,0,0]=3 2584 B13R1.342 NC(=O)CCNC(=O)C1CCCS1 11a_100000740010_100012002731 [0,0,0,1,0,0|3,0,0]=4 2585 B13R1.342 NC(=O)CCNC(=O)C1CCCS1 240690a_100000740010_100012002731 [0,0,0,1,0,0|3,0,0]=4 2586 B13R1.342 NC(=O)CCNC(=O)C1CCCS1 527a_100000740010_100012002731 [0,0,0,1,0,0|3,0,0]=4 2587 B13R1.342 NC(=O)CCNC(=O)C1CCOC1 11a_100000740010_100011219752 [0,0,0,1,0,0|3,0,0]=4 2588 B13R1.342 NC(=O)CCNC(=O)C1CCOC1 240690a_100000740010_100011219752 [0,0,0,1,0,0|3,0,0]=4 2589 B13R1.342 NC(=O)CCNC(=O)C1CCOC1 527a_100000740010_100011219752 [0,0,0,1,0,0|3,0,0]=4 2590 B13R1.342 NC(=O)CCNC(=O)N1CCCC1 273464a_100000740010_100000188435 [0,0,0,1,0,0|3,0,0]=4 2591 B13R1.342 NC(=O)CCNC(=O)[C@@H]1CCCO1 11a_100000740010_100000686382 [0,0,0,1,0,0|3,0,0]=4 2592 B13R1.342 NC(=O)CCNC(=O)[C@@H]1CCCO1 240690a_100000740010_100000686382 [0,0,0,1,0,0|3,0,0]=4 2593 B13R1.342 NC(=O)CCNC(=O)[C@@H]1CCCO1 527a_100000740010_100000686382 [0,0,0,1,0,0|3,0,0]=4 2594 B13R1.342 NC(=O)CNCC(=O)N1CCCC1 2230a_100000711301_100000183516 [0,0,0,1,0,0|3,0,0]=4 2595 B13R1.342 NC(=O)CNCC(=O)N1CCCC1 2230a_100000751844_100000747473 [0,0,0,1,0,0|3,0,0]=4 2596 B13R1.342 NC(=O)COCC(=O)C1CCCC1 1458a_100011219004_100000179811 [0,0,0,1,0,0|2,0,0]=3 2597 B13R1.342 NC(=O)COCC(=O)C1CCOC1 1458a_100011219004_100000690089 [0,0,0,1,0,0|3,0,0]=4 2598 B13R1.342 NC(=O)COCC(=O)N1CCCC1 240690a_100000188435_100011219004 [0,0,0,1,0,0|3,0,0]=4 2599 B13R1.342 NC(=O)COCC(=O)N1CCCC1 527a_100000188435_100011219004 [0,0,0,1,0,0|3,0,0]=4 2600 B13R1.342 NC(=O)COCC(=O)N1CCCC1 7a_200000752455_100000187820 [0,0,0,1,0,0|3,0,0]=4 2601 B13R1.342 NC(=O)CSCC(=O)N1CCCC1 240690a_100000188435_100000150265 [0,0,0,1,0,0|3,0,0]=4 2602 B13R1.342 NC(=O)CSCC(=O)N1CCCC1 527a_100000188435_100000150265 [0,0,0,1,0,0|3,0,0]=4 2603 B13R1.342 NC(=O)CSCC(=O)N1CCCC1 62a_100000183516_100000747473 [0,0,0,1,0,0|3,0,0]=4 2604 B13R1.342 NC(=O)CSCC(=O)N1CCCC1 62a_100000747473_100000183516 [0,0,0,1,0,0|3,0,0]=4 2605 B13R1.342 NC(=O)NCCC(=O)C1CCCC1 1458a_100000181464_100000179811 [0,0,0,1,0,0|2,0,0]=3 2606 B13R1.342 NC(=O)NCCC(=O)C1CCCC1 1458a_100000210718_200000034859 [0,0,0,1,0,0|2,0,0]=3 2607 B13R1.342 NC(=O)NCCC(=O)C1CCCS1 1458a_100012002731_200000034859 [0,0,0,1,0,0|3,0,0]=4 2608 B13R1.342 NC(=O)NCCC(=O)C1CCOC1 1458a_100000181464_100000690089 [0,0,0,1,0,0|3,0,0]=4 2609 B13R1.342 NC(=O)NCCC(=O)C1CCOC1 1458a_100011219752_200000034859 [0,0,0,1,0,0|3,0,0]=4 2610 B13R1.342 NC(=O)NCCC(=O)N1CCCC1 240690a_100000188435_100000181464 [0,0,0,1,0,0|3,0,0]=4 2611 B13R1.342 NC(=O)NCCC(=O)N1CCCC1 527a_100000188435_100000181464 [0,0,0,1,0,0|3,0,0]=4 2612 B13R1.342 NC(=O)NCCC(=O)[C@@H]1CCCO1 1458a_100000686382_200000034859 [0,0,0,1,0,0|3,0,0]=4 2613 B13R1.342 NC(=O)OCCC(=O)C1CCCC1 1458a_100000210718_200011214921 [0,0,0,1,0,0|2,0,0]=3 2614 B13R1.342 NC(=O)OCCC(=O)C1CCCS1 1458a_100012002731_200011214921 [0,0,0,1,0,0|3,0,0]=4 2615 B13R1.342 NC(=O)OCCC(=O)C1CCOC1 1458a_100011219752_200011214921 [0,0,0,1,0,0|3,0,0]=4 2616 B13R1.342 NC(=O)OCCC(=O)[C@@H]1CCCO1 1458a_100000686382_200011214921 [0,0,0,1,0,0|3,0,0]=4 2617 B13R1.342 O=C(CCC=C(F)F)C1CCCC1 1458a_100000210718_200009816681 [0,0,0,1,0,0|2,0,1]=4 2618 B13R1.342 O=C(CCC[N+](=O)[O-])C1CCCC1 1458a_100016109205_100000179811 [0,0,0,1,0,0|1,0,1]=3 2619 B13R1.342 O=C(CCC[N+](=O)[O-])C1CCOC1 1458a_100016109205_100000690089 [0,0,0,1,0,0|2,0,1]=4 2620 B13R1.342 O=C(CCC[N+](=O)[O-])N1CCCC1 240690a_100000188435_100016109205 [0,0,0,1,0,0|2,0,1]=4 2621 B13R1.342 O=C(CCC[N+](=O)[O-])N1CCCC1 527a_100000188435_100016109205 [0,0,0,1,0,0|2,0,1]=4 2622 B13R1.342 O=C(O)CNCC(=O)N1CCCC1 269956a_100016091260_100000183516 [0,0,0,1,0,0|2,0,0]=3 2623 B13R1.342 O=C([O-])CSCC(=O)N1CCCC1 62a_100000183516_100020667443 [0,0,0,1,0,0|2,0,1]=4 2624 B13R1.342 O=C([O-])CSCC(=O)N1CCCC1 62a_100020667443_100000183516 [0,0,0,1,0,0|2,0,1]=4 2625 B13R1.342 [13CH3]C(=O)CCCC(=O)N1CCCC1 1458a_100000199733_200025704644 [0,0,0,1,0,0|2,0,0]=3 2626 B13R1.356 CCCN1CC(CCC1C(=O)O)O 269956a_100000089875_100000210207 [0,0,0,1,0,0|1,0,2]=4 2627 B13R1.658 CCCCCN1CCC(C1)C(=O)N 2230a_100000752358_100000210326 [0,0,0,1,0,0|3,0,0]=4 2628 B13R1.658 CCCCCN1CCC(C1)C(=O)N 269982a_100000752358_100000210215 [0,0,0,1,0,0|3,0,0]=4 2629 B13R1.658 CCCCCN1CCC(C1)C(=O)N 34a_100000752358_100000718602 [0,0,0,1,0,0|3,0,0]=4 2630 B13R1.658 CCCCN[C@H]1CC[C@H](C1)C(=O)O 269956a_100015195206_100000210211 [0,0,0,1,0,0|2,0,1]=4 2631 B13R1.727 C#CCCCC(=O)CC1CC(=O)C1 1458a_100000690238_100009874392 [0,0,0,1,0,0|1,0,2]=4 2632 B13R1.727 C=C1CC(C1)NC(=O)CCCCC 11a_100132301982_100000212188 [0,0,0,1,0,0|3,0,0]=4 2633 B13R1.727 C=C1CC(C1)NC(=O)CCCCC 1626a_100132301982_100000212188 [0,0,0,1,0,0|3,0,0]=4 2634 B13R1.727 C=C1CC(C1)NC(=O)CCCCC 527a_100132301982_100000212188 [0,0,0,1,0,0|3,0,0]=4 2635 B13R1.727 C=CCCCC(=O)CC1CC(=O)C1 1458a_100000766728_100009874392 [0,0,0,1,0,0|1,0,2]=4 2636 B13R1.727 CC/C=C/CC(=O)CC1CC(=O)C1 1458a_100016274230_100009874392 [0,0,0,1,0,0|1,0,2]=4 2637 B13R1.727 CCCC#CC(=O)CC1CC(=O)C1 1458a_200011218047_100009874392 [0,0,0,1,0,0|1,0,2]=4 2638 B13R1.727 CCCC=CC(=O)CC1CC(=O)C1 1458a_100000212230_100009874392 [0,0,0,1,0,0|1,0,2]=4 2639 B13R1.727 CCCCCC(=O)CC1CC(=O)C1 1458a_100000212188_100009874392 [0,0,0,1,0,0|1,0,0]=2 2640 B13R1.727 CCCCCC(=O)CN1CC(C1)O 269982a_100000749847_200012276598 [0,0,0,1,0,0|2,0,1]=4 2641 B13R1.727 CCCCCC(=O)N[C@H]1C[C@@H](C1)O 11a_100020629032_100000212188 [0,0,0,1,0,0|2,0,1]=4 2642 B13R1.727 CCCCCC(=O)N[C@H]1C[C@@H](C1)O 1626a_100020629032_100000212188 [0,0,0,1,0,0|2,0,1]=4 2643 B13R1.727 CCCCCC(=O)N[C@H]1C[C@@H](C1)O 240690a_100020629032_100000212188 [0,0,0,1,0,0|2,0,1]=4 2644 B13R1.727 CCCCCC(=O)N[C@H]1C[C@@H](C1)O 527a_100020629032_100000212188 [0,0,0,1,0,0|2,0,1]=4 2645 B13R1.727 CCCCCN(C)CC1CC(=O)C1 2230a_100000223495_100009874392 [0,0,0,1,0,0|3,0,0]=4 2646 B13R1.727 CCCCCN(C)CC1CC(=O)C1 269982a_100000223495_100009874392 [0,0,0,1,0,0|3,0,0]=4 2647 B13R1.727 CCCOCC(=O)CC1CC(=O)C1 1458a_100000745993_100009874392 [0,0,0,1,0,0|2,0,0]=3 2648 B13R1.727 CCCSCC(=O)CC1CC(=O)C1 1458a_100000217233_100009874392 [0,0,0,1,0,0|2,0,0]=3 2649 B13R1.727 CCOCCC(=O)CC1CC(=O)C1 1458a_100000749530_100009874392 [0,0,0,1,0,0|2,0,0]=3 2650 B13R1.727 CCSCCC(=O)CC1CC(=O)C1 1458a_100000230768_100009874392 [0,0,0,1,0,0|2,0,0]=3 2651 B13R1.727 COCCCC(=O)CC1CC(=O)C1 1458a_100000741012_100009874392 [0,0,0,1,0,0|2,0,0]=3 2652 B13R1.727 CSCCCC(=O)CC1CC(=O)C1 1458a_100000173376_100009874392 [0,0,0,1,0,0|2,0,0]=3 2653 B13R1.727 N#CCCCC(=O)CC1CC(=O)C1 1458a_100000075515_100009874392 [0,0,0,1,0,0|2,0,1]=4 2654 B13R1.727 O=C(CCCCO)CC1CC(=O)C1 1458a_100000695505_100009874392 [0,0,0,1,0,0|2,0,0]=3 2655 B13R1.727 O=C(COCCO)CC1CC(=O)C1 1458a_100000708028_100009874392 [0,0,0,1,0,0|3,0,0]=4 2656 B13R1.729 CCCCCC(=O)CCCC1CO1 1458a_100000212188_100000733510 [0,0,0,1,0,0|1,0,1]=3 2657 B13R1.729 CCCCCC(=O)COC[C@@H]1CO1 34a_100000757423_200012276598 [0,0,0,1,0,0|2,0,1]=4 2658 B13R1.729 CCCCCC(=O)CSCC1CO1 62a_102125554688_200012276598 [0,0,0,1,0,0|2,0,1]=4 2659 B13R1.729 CCCCCC(=O)CSCC1CO1 62a_200012276598_102125554688 [0,0,0,1,0,0|2,0,1]=4 2660 B13R1.729 CCCCCC(=O)CSC[C@@H]1CO1 62a_100000745022_200012276598 [0,0,0,1,0,0|2,0,1]=4 2661 B13R1.729 CCCCCC(=O)CSC[C@@H]1CO1 62a_200012276598_100000745022 [0,0,0,1,0,0|2,0,1]=4 2662 B13R1.729 CCCOCC(=O)CCCC1CO1 1458a_100000745993_100000733510 [0,0,0,1,0,0|2,0,1]=4 2663 B13R1.729 CCCSCC(=O)CCCC1CO1 1458a_100000217233_100000733510 [0,0,0,1,0,0|2,0,1]=4 2664 B13R1.729 CCOCCC(=O)CCCC1CO1 1458a_100000749530_100000733510 [0,0,0,1,0,0|2,0,1]=4 2665 B13R1.729 CCSCCC(=O)CCCC1CO1 1458a_100000230768_100000733510 [0,0,0,1,0,0|2,0,1]=4 2666 B13R1.729 COCCCC(=O)CCCC1CO1 1458a_100000741012_100000733510 [0,0,0,1,0,0|2,0,1]=4 2667 B13R1.729 CSCCCC(=O)CCCC1CO1 1458a_100000173376_100000733510 [0,0,0,1,0,0|2,0,1]=4 2668 B13R1.729 O=C(CCCCO)CCCC1CO1 1458a_100000695505_100000733510 [0,0,0,1,0,0|2,0,1]=4 2669 B13R1.1047 CC(=CCCC(=O)CC1CCC1)C 1458a_100000763092_100011217483 [0,0,0,1,0,0|2,0,1]=4 2670 B13R1.1047 CC(=O)CCCC(=O)C=C1CCC1 1458a_100000686340_100011215641 [0,0,0,1,0,0|1,0,2]=4 2671 B13R1.1047 CC(=O)CCCC(=O)CC1CCC1 1458a_100000763092_100011215641 [0,0,0,1,0,0|1,0,0]=2 2672 B13R1.1047 CC(=O)CCCC(=O)CC1COC1 1458a_100000687760_100011215641 [0,0,0,1,0,0|2,0,0]=3 2673 B13R1.1047 CC(=O)CCCN(C)CC1CCC1 269982a_200000750244_100011215641 [0,0,0,1,0,0|3,0,0]=4 2674 B13R1.1047 CC(=O)CCCN(C)CC1CCC1 34a_200000750244_100000685027 [0,0,0,1,0,0|3,0,0]=4 2675 B13R1.1047 CC(=O)NCCC(=O)CC1CCC1 1458a_100000183196_100000763275 [0,0,0,1,0,0|2,0,0]=3 2676 B13R1.1047 CC(=O)NCCC(=O)CC1CCC1 1458a_100000763092_100000189650 [0,0,0,1,0,0|2,0,0]=3 2677 B13R1.1047 CC(=O)NCCC(=O)CC1CCO1 1458a_100000183196_100000103362 [0,0,0,1,0,0|3,0,0]=4 2678 B13R1.1047 CC(=O)NCCC(=O)CC1COC1 1458a_100000183196_100010264016 [0,0,0,1,0,0|3,0,0]=4 2679 B13R1.1047 CC(=O)NCCC(=O)CC1COC1 1458a_100000687760_100000189650 [0,0,0,1,0,0|3,0,0]=4 2680 B13R1.1047 CC(=O)NCCC(=O)NC1CCC1 11a_100000749019_100000183196 [0,0,0,1,0,0|3,0,0]=4 2681 B13R1.1047 CC(=O)NCCC(=O)NC1CCC1 1626a_100000749019_100000183196 [0,0,0,1,0,0|3,0,0]=4 2682 B13R1.1047 CC(=O)NCCC(=O)NC1CCC1 240690a_100000749019_100000183196 [0,0,0,1,0,0|3,0,0]=4 2683 B13R1.1047 CC(=O)NCCC(=O)NC1CCC1 527a_100000749019_100000183196 [0,0,0,1,0,0|3,0,0]=4 2684 B13R1.1047 CC(=O)OCCC(=O)CC1CCC1 1458a_100000763092_100009814007 [0,0,0,1,0,0|2,0,0]=3 2685 B13R1.1047 CC(=O)OCCC(=O)CC1COC1 1458a_100000687760_100009814007 [0,0,0,1,0,0|3,0,0]=4 2686 B13R1.1047 CC(=O)SCCC(=O)CC1CCC1 1458a_100000048949_100000763275 [0,0,0,1,0,0|2,0,0]=3 2687 B13R1.1047 CC(=O)SCCC(=O)CC1CCO1 1458a_100000048949_100000103362 [0,0,0,1,0,0|3,0,0]=4 2688 B13R1.1047 CC(=O)SCCC(=O)CC1COC1 1458a_100000048949_100010264016 [0,0,0,1,0,0|3,0,0]=4 2689 B13R1.1047 CC(=O)SCCC(=O)NC1CCC1 1626a_100000749019_100000048949 [0,0,0,1,0,0|3,0,0]=4 2690 B13R1.1047 CC(=O)SCCC(=O)NC1CCC1 240690a_100000749019_100000048949 [0,0,0,1,0,0|3,0,0]=4 2691 B13R1.1047 CC(C)CCCC(=O)CC1CCC1 1458a_100000763092_100011214892 [0,0,0,1,0,0|2,0,1]=4 2692 B13R1.1047 CC(C)CCCC(=O)CC1CCC1 1458a_100011216857_100000763275 [0,0,0,1,0,0|2,0,1]=4 2693 B13R1.1047 CC(O)CCCC(=O)CC1CCC1 1458a_100000763092_200000718107 [0,0,0,1,0,0|1,0,1]=3 2694 B13R1.1047 CC(O)CCCC(=O)CC1COC1 1458a_100000687760_200000718107 [0,0,0,1,0,0|2,0,1]=4 2695 B13R1.1047 CC(O)CCCC(=O)NC1CCC1 1626a_100000749019_100000761597 [0,0,0,1,0,0|2,0,1]=4 2696 B13R1.1047 CC(O)CCCC(=O)NC1CCC1 527a_100000749019_100000761597 [0,0,0,1,0,0|2,0,1]=4 2697 B13R1.1047 CC(O)CCNC(=O)CC1CCC1 240690a_200000755665_100000763092 [0,0,0,1,0,0|2,0,1]=4 2698 B13R1.1047 CC(O)CCNC(=O)CC1CCC1 527a_200000755665_100000763092 [0,0,0,1,0,0|2,0,1]=4 2699 B13R1.1047 CN(C)CCCC(=O)CC1CCC1 1458a_100000763092_100000695564 [0,0,0,1,0,0|3,0,0]=4 2700 B13R1.1047 CN(CCCC(=O)N)CC1CCC1 269982a_200000750244_100102525003 [0,0,0,1,0,0|3,0,0]=4 2701 B13R1.1047 CN(CCCC(=O)N)CC1CCC1 34a_200000750244_100102525003 [0,0,0,1,0,0|3,0,0]=4 2702 B13R1.1047 CN(CCCC(=O)O)CC1CCC1 269956a_100000719178_100000763275 [0,0,0,1,0,0|2,0,0]=3 2703 B13R1.1047 CN(CCCC(=O)O)CC1CCO1 269956a_100000719178_100000103362 [0,0,0,1,0,0|3,0,0]=4 2704 B13R1.1047 CN(CCCC(=O)O)CC1COC1 269956a_100000719178_100010264016 [0,0,0,1,0,0|3,0,0]=4 2705 B13R1.1047 NC(=NCCC(=O)CC1CCC1)N 1458a_100000033030_100000763275 [0,0,0,1,0,0|3,0,0]=4 2706 B13R1.1047 NC(=O)CCCC(=O)C=C1CCC1 1458a_100000686340_100102525003 [0,0,0,1,0,0|1,0,2]=4 2707 B13R1.1047 NC(=O)CCCC(=O)CC1CCC1 1458a_100000763092_100102525003 [0,0,0,1,0,0|1,0,0]=2 2708 B13R1.1047 NC(=O)CCCC(=O)CC1COC1 1458a_100000687760_100102525003 [0,0,0,1,0,0|2,0,0]=3 2709 B13R1.1047 NC(=O)CCNC(=O)CC1CCC1 11a_100000740010_100000763092 [0,0,0,1,0,0|2,0,0]=3 2710 B13R1.1047 NC(=O)CCNC(=O)CC1CCC1 240690a_100000740010_100000763092 [0,0,0,1,0,0|2,0,0]=3 2711 B13R1.1047 NC(=O)CCNC(=O)CC1CCC1 527a_100000740010_100000763092 [0,0,0,1,0,0|2,0,0]=3 2712 B13R1.1047 NC(=O)CCNC(=O)CC1COC1 11a_100000740010_100000687760 [0,0,0,1,0,0|3,0,0]=4 2713 B13R1.1047 NC(=O)CCNC(=O)NC1CCC1 273464a_100000740010_100000749019 [0,0,0,1,0,0|3,0,0]=4 2714 B13R1.1047 NC(=O)CCNC(=O)NC1CCC1 273464a_100000749019_100000740010 [0,0,0,1,0,0|3,0,0]=4 2715 B13R1.1047 NC(=O)CCNC(=O)NC1CCC1 512a_100000749019_100000740010 [0,0,0,1,0,0|3,0,0]=4 2716 B13R1.1047 NC(=O)COCC(=O)CC1CCC1 1458a_100011219004_100000763275 [0,0,0,1,0,0|2,0,0]=3 2717 B13R1.1047 NC(=O)COCC(=O)CC1CCO1 1458a_100011219004_100000103362 [0,0,0,1,0,0|3,0,0]=4 2718 B13R1.1047 NC(=O)COCC(=O)CC1COC1 1458a_100011219004_100010264016 [0,0,0,1,0,0|3,0,0]=4 2719 B13R1.1047 NC(=O)COCC(=O)NC1CCC1 1626a_100000749019_100011219004 [0,0,0,1,0,0|3,0,0]=4 2720 B13R1.1047 NC(=O)COCC(=O)NC1CCC1 240690a_100000749019_100011219004 [0,0,0,1,0,0|3,0,0]=4 2721 B13R1.1047 NC(=O)COCC(=O)NC1CCC1 527a_100000749019_100011219004 [0,0,0,1,0,0|3,0,0]=4 2722 B13R1.1047 NC(=O)CSCC(=O)NC1CCC1 11a_100000749019_100000150265 [0,0,0,1,0,0|3,0,0]=4 2723 B13R1.1047 NC(=O)CSCC(=O)NC1CCC1 240690a_100000749019_100000150265 [0,0,0,1,0,0|3,0,0]=4 2724 B13R1.1047 NC(=O)CSCC(=O)NC1CCC1 527a_100000749019_100000150265 [0,0,0,1,0,0|3,0,0]=4 2725 B13R1.1047 NC(=O)NCCC(=O)CC1CCC1 1458a_100000181464_100000763275 [0,0,0,1,0,0|2,0,0]=3 2726 B13R1.1047 NC(=O)NCCC(=O)CC1CCC1 1458a_100000763092_200000034859 [0,0,0,1,0,0|2,0,0]=3 2727 B13R1.1047 NC(=O)NCCC(=O)CC1CCO1 1458a_100000181464_100000103362 [0,0,0,1,0,0|3,0,0]=4 2728 B13R1.1047 NC(=O)NCCC(=O)CC1COC1 1458a_100000181464_100010264016 [0,0,0,1,0,0|3,0,0]=4 2729 B13R1.1047 NC(=O)NCCC(=O)CC1COC1 1458a_100000687760_200000034859 [0,0,0,1,0,0|3,0,0]=4 2730 B13R1.1047 NC(=O)NCCC(=O)NC1CCC1 240690a_100000749019_100000181464 [0,0,0,1,0,0|3,0,0]=4 2731 B13R1.1047 NC(=O)NCCC(=O)NC1CCC1 527a_100000749019_100000181464 [0,0,0,1,0,0|3,0,0]=4 2732 B13R1.1047 NC(=O)OCCC(=O)CC1CCC1 1458a_100000763092_200011214921 [0,0,0,1,0,0|2,0,0]=3 2733 B13R1.1047 NC(=O)OCCC(=O)CC1COC1 1458a_100000687760_200011214921 [0,0,0,1,0,0|3,0,0]=4 2734 B13R1.1047 O=C(CCC=C(F)F)CC1CCC1 1458a_100000763092_200009816681 [0,0,0,1,0,0|2,0,1]=4 2735 B13R1.1047 O=C(CCC[N+](=O)[O-])CC1CCC1 1458a_100016109205_100000763275 [0,0,0,1,0,0|1,0,1]=3 2736 B13R1.1047 O=C(CCC[N+](=O)[O-])CC1CCO1 1458a_100016109205_100000103362 [0,0,0,1,0,0|2,0,1]=4 2737 B13R1.1047 O=C(CCC[N+](=O)[O-])CC1COC1 1458a_100016109205_100010264016 [0,0,0,1,0,0|2,0,1]=4 2738 B13R1.1047 O=C(CCC[N+](=O)[O-])NC1CCC1 11a_100000749019_100016109205 [0,0,0,1,0,0|2,0,1]=4 2739 B13R1.1047 O=C(CCC[N+](=O)[O-])NC1CCC1 1626a_100000749019_100016109205 [0,0,0,1,0,0|2,0,1]=4 2740 B13R1.1047 O=C(CCC[N+](=O)[O-])NC1CCC1 240690a_100000749019_100016109205 [0,0,0,1,0,0|2,0,1]=4 2741 B13R1.1047 O=C(CCC[N+](=O)[O-])NC1CCC1 527a_100000749019_100016109205 [0,0,0,1,0,0|2,0,1]=4 2742 B13R1.1048 CC(=CCCC(=O)CCC1CC1)C 1458a_100000756386_100011217483 [0,0,0,1,0,0|2,0,1]=4 2743 B13R1.1048 CC(=O)CCCC(=O)C=CC1CC1 1458a_100102529529_100011215641 [0,0,0,1,0,0|1,0,2]=4 2744 B13R1.1048 CC(=O)CCCC(=O)CCC1CC1 1458a_100000756386_100011215641 [0,0,0,1,0,0|1,0,0]=2 2745 B13R1.1048 CC(=O)NCCC(=O)CCC1CC1 1458a_100000183196_100000694398 [0,0,0,1,0,0|2,0,0]=3 2746 B13R1.1048 CC(=O)NCCC(=O)CCC1CC1 1458a_100000756386_100000189650 [0,0,0,1,0,0|2,0,0]=3 2747 B13R1.1048 CC(=O)NCCC(=O)CCC1CO1 1458a_100000183196_100000732470 [0,0,0,1,0,0|3,0,0]=4 2748 B13R1.1048 CC(=O)NCCC(=O)NCC1CC1 11a_100000735609_100000183196 [0,0,0,1,0,0|3,0,0]=4 2749 B13R1.1048 CC(=O)NCCC(=O)NCC1CC1 1626a_100000735609_100000183196 [0,0,0,1,0,0|3,0,0]=4 2750 B13R1.1048 CC(=O)NCCC(=O)NCC1CC1 240690a_100000735609_100000183196 [0,0,0,1,0,0|3,0,0]=4 2751 B13R1.1048 CC(=O)NCCC(=O)NCC1CC1 527a_100000735609_100000183196 [0,0,0,1,0,0|3,0,0]=4 2752 B13R1.1048 CC(=O)OCCC(=O)CCC1CC1 1458a_100000756386_100009814007 [0,0,0,1,0,0|2,0,0]=3 2753 B13R1.1048 CC(=O)SCCC(=O)CCC1CC1 1458a_100000048949_100000694398 [0,0,0,1,0,0|2,0,0]=3 2754 B13R1.1048 CC(=O)SCCC(=O)CCC1CO1 1458a_100000048949_100000732470 [0,0,0,1,0,0|3,0,0]=4 2755 B13R1.1048 CC(=O)SCCC(=O)NCC1CC1 1626a_100000735609_100000048949 [0,0,0,1,0,0|3,0,0]=4 2756 B13R1.1048 CC(=O)SCCC(=O)NCC1CC1 240690a_100000735609_100000048949 [0,0,0,1,0,0|3,0,0]=4 2757 B13R1.1048 CC(C)CCCC(=O)CCC1CC1 1458a_100000756386_100011214892 [0,0,0,1,0,0|2,0,1]=4 2758 B13R1.1048 CC(C)CCCC(=O)CCC1CC1 1458a_100011216857_100000694398 [0,0,0,1,0,0|2,0,1]=4 2759 B13R1.1048 CC(O)CCCC(=O)CCC1CC1 1458a_100000756386_200000718107 [0,0,0,1,0,0|1,0,1]=3 2760 B13R1.1048 CC(O)CCCC(=O)NCC1CC1 1626a_100000735609_100000761597 [0,0,0,1,0,0|2,0,1]=4 2761 B13R1.1048 CC(O)CCCC(=O)NCC1CC1 527a_100000735609_100000761597 [0,0,0,1,0,0|2,0,1]=4 2762 B13R1.1048 CC(O)CCNC(=O)CCC1CC1 240690a_200000755665_100000756386 [0,0,0,1,0,0|2,0,1]=4 2763 B13R1.1048 CC(O)CCNC(=O)CCC1CC1 527a_200000755665_100000756386 [0,0,0,1,0,0|2,0,1]=4 2764 B13R1.1048 CN(C)CCCC(=O)CCC1CC1 1458a_100000756386_100000695564 [0,0,0,1,0,0|3,0,0]=4 2765 B13R1.1048 CN(CCCC(=O)O)CCC1CC1 269956a_100000719178_100000694398 [0,0,0,1,0,0|2,0,0]=3 2766 B13R1.1048 CN(CCCC(=O)O)CCC1CO1 269956a_100000719178_100000732470 [0,0,0,1,0,0|3,0,0]=4 2767 B13R1.1048 NC(=NCCC(=O)CCC1CC1)N 1458a_100000033030_100000694398 [0,0,0,1,0,0|3,0,0]=4 2768 B13R1.1048 NC(=O)CCCC(=O)C=CC1CC1 1458a_100102529529_100102525003 [0,0,0,1,0,0|1,0,2]=4 2769 B13R1.1048 NC(=O)CCCC(=O)CCC1CC1 1458a_100000756386_100102525003 [0,0,0,1,0,0|1,0,0]=2 2770 B13R1.1048 NC(=O)CCNC(=O)CCC1CC1 11a_100000740010_100000756386 [0,0,0,1,0,0|2,0,0]=3 2771 B13R1.1048 NC(=O)CCNC(=O)CCC1CC1 240690a_100000740010_100000756386 [0,0,0,1,0,0|2,0,0]=3 2772 B13R1.1048 NC(=O)CCNC(=O)CCC1CC1 527a_100000740010_100000756386 [0,0,0,1,0,0|2,0,0]=3 2773 B13R1.1048 NC(=O)CCNC(=O)NCC1CC1 2708a_100000735609_100000740010 [0,0,0,1,0,0|3,0,0]=4 2774 B13R1.1048 NC(=O)CCNC(=O)NCC1CC1 273464a_100000735609_100000740010 [0,0,0,1,0,0|3,0,0]=4 2775 B13R1.1048 NC(=O)CCNC(=O)NCC1CC1 273464a_100000740010_100000735609 [0,0,0,1,0,0|3,0,0]=4 2776 B13R1.1048 NC(=O)CCNC(=O)NCC1CC1 512a_100000735609_100000740010 [0,0,0,1,0,0|3,0,0]=4 2777 B13R1.1048 NC(=O)COCC(=O)CCC1CC1 1458a_100011219004_100000694398 [0,0,0,1,0,0|2,0,0]=3 2778 B13R1.1048 NC(=O)COCC(=O)CCC1CO1 1458a_100011219004_100000732470 [0,0,0,1,0,0|3,0,0]=4 2779 B13R1.1048 NC(=O)COCC(=O)NCC1CC1 1626a_100000735609_100011219004 [0,0,0,1,0,0|3,0,0]=4 2780 B13R1.1048 NC(=O)COCC(=O)NCC1CC1 240690a_100000735609_100011219004 [0,0,0,1,0,0|3,0,0]=4 2781 B13R1.1048 NC(=O)COCC(=O)NCC1CC1 527a_100000735609_100011219004 [0,0,0,1,0,0|3,0,0]=4 2782 B13R1.1048 NC(=O)CSCC(=O)NCC1CC1 11a_100000735609_100000150265 [0,0,0,1,0,0|3,0,0]=4 2783 B13R1.1048 NC(=O)CSCC(=O)NCC1CC1 240690a_100000735609_100000150265 [0,0,0,1,0,0|3,0,0]=4 2784 B13R1.1048 NC(=O)CSCC(=O)NCC1CC1 527a_100000735609_100000150265 [0,0,0,1,0,0|3,0,0]=4 2785 B13R1.1048 NC(=O)NCCC(=O)CCC1CC1 1458a_100000181464_100000694398 [0,0,0,1,0,0|2,0,0]=3 2786 B13R1.1048 NC(=O)NCCC(=O)CCC1CC1 1458a_100000756386_200000034859 [0,0,0,1,0,0|2,0,0]=3 2787 B13R1.1048 NC(=O)NCCC(=O)CCC1CO1 1458a_100000181464_100000732470 [0,0,0,1,0,0|3,0,0]=4 2788 B13R1.1048 NC(=O)NCCC(=O)NCC1CC1 240690a_100000735609_100000181464 [0,0,0,1,0,0|3,0,0]=4 2789 B13R1.1048 NC(=O)NCCC(=O)NCC1CC1 527a_100000735609_100000181464 [0,0,0,1,0,0|3,0,0]=4 2790 B13R1.1048 NC(=O)OCCC(=O)CCC1CC1 1458a_100000756386_200011214921 [0,0,0,1,0,0|2,0,0]=3 2791 B13R1.1048 O=C(CCC=C(F)F)CCC1CC1 1458a_100000756386_200009816681 [0,0,0,1,0,0|2,0,1]=4 2792 B13R1.1048 O=C(CCC[N+](=O)[O-])CCC1CC1 1458a_100016109205_100000694398 [0,0,0,1,0,0|1,0,1]=3 2793 B13R1.1048 O=C(CCC[N+](=O)[O-])CCC1CO1 1458a_100016109205_100000732470 [0,0,0,1,0,0|2,0,1]=4 2794 B13R1.1048 O=C(CCC[N+](=O)[O-])NCC1CC1 11a_100000735609_100016109205 [0,0,0,1,0,0|2,0,1]=4 2795 B13R1.1048 O=C(CCC[N+](=O)[O-])NCC1CC1 1626a_100000735609_100016109205 [0,0,0,1,0,0|2,0,1]=4 2796 B13R1.1048 O=C(CCC[N+](=O)[O-])NCC1CC1 240690a_100000735609_100016109205 [0,0,0,1,0,0|2,0,1]=4 2797 B13R1.1048 O=C(CCC[N+](=O)[O-])NCC1CC1 527a_100000735609_100016109205 [0,0,0,1,0,0|2,0,1]=4 2798 B13R1.1154 CCCCCN1CC(C1)CC(=O)O 269956a_100016993960_100000210326 [0,0,0,1,0,0|2,0,0]=3 2799 B13R1.1154 CCOCCN1CC(C1)CC(=O)O 269956a_100016993960_100000210147 [0,0,0,1,0,0|3,0,0]=4 2800 B13R1.1154 CCSCCN1CC(C1)CC(=O)O 269956a_100016993960_100000757381 [0,0,0,1,0,0|3,0,0]=4 2801 B13R1.1154 COCCCN1CC(C1)CC(=O)O 269956a_100016993960_100000740836 [0,0,0,1,0,0|3,0,0]=4 2802 B13R1.1154 O=C(O)CC1CN(C1)CCCCF 269956a_100016993960_100000729493 [0,0,0,1,0,0|3,0,0]=4 2803 B13R1.1154 O=C(O)CC1CN(C1)CCCCO 269956a_100016993960_100000210776 [0,0,0,1,0,0|3,0,0]=4 2804 B13R1.1988 CC(=O)CCCN1CCCCCC1 269982a_100000185865_100011215641 [0,0,0,1,0,0|3,0,0]=4 2805 B13R1.1988 CC(=O)CCCN1CCCCCC1 34a_100000185865_100000685027 [0,0,0,1,0,0|3,0,0]=4 2806 B13R1.1988 NC(=O)CCCN1CCCCCC1 269982a_100000185865_100102525003 [0,0,0,1,0,0|3,0,0]=4 2807 B13R1.1988 NC(=O)CCCN1CCCCCC1 34a_100000185865_100102525003 [0,0,0,1,0,0|3,0,0]=4 2808 B13R1.1988 O=C(O)CNCC1CCCCCC1 269956a_100016091260_200000696569 [0,0,0,1,0,0|2,0,1]=4 2809 B13R1.2294 CC(=O)CCCC(=O)[C@@H]1C[C@H]1C#N 1458a_100015294237_100011215641 [0,0,0,1,0,0|2,0,1]=4 2810 B13R1.2294 CCC1CC1C(=O)CCC=C(C)C 1458a_200011661523_100011217483 [0,0,0,1,0,0|2,0,1]=4 2811 B13R1.2294 CCC1CC1C(=O)CCC=C(F)F 1458a_200011661523_200009816681 [0,0,0,1,0,0|2,0,1]=4 2812 B13R1.2294 CCC1CC1C(=O)CCCC(=O)C 1458a_200011661523_100011215641 [0,0,0,1,0,0|1,0,0]=2 2813 B13R1.2294 CCC1CC1C(=O)CCCC(=O)N 1458a_200011661523_100102525003 [0,0,0,1,0,0|1,0,0]=2 2814 B13R1.2294 CCC1CC1C(=O)CCCC(C)C 1458a_200011661523_100011214892 [0,0,0,1,0,0|2,0,1]=4 2815 B13R1.2294 CCC1CC1C(=O)CCCC(C)O 1458a_200011661523_200000718107 [0,0,0,1,0,0|1,0,1]=3 2816 B13R1.2294 CCC1CC1C(=O)CCCN(C)C 1458a_200011661523_100000695564 [0,0,0,1,0,0|3,0,0]=4 2817 B13R1.2294 CCC1CC1C(=O)CCNC(=O)C 1458a_200011661523_100000189650 [0,0,0,1,0,0|2,0,0]=3 2818 B13R1.2294 CCC1CC1C(=O)CCNC(=O)N 1458a_200011661523_200000034859 [0,0,0,1,0,0|2,0,0]=3 2819 B13R1.2294 CCC1CC1C(=O)CCOC(=O)C 1458a_200011661523_100009814007 [0,0,0,1,0,0|2,0,0]=3 2820 B13R1.2294 CCC1CC1C(=O)CCOC(=O)N 1458a_200011661523_200011214921 [0,0,0,1,0,0|2,0,0]=3 2821 B13R1.2294 CCC1CC1C(=O)NCCC(=O)N 11a_100000740010_200011661523 [0,0,0,1,0,0|2,0,0]=3 2822 B13R1.2294 CCC1CC1C(=O)NCCC(=O)N 240690a_100000740010_200011661523 [0,0,0,1,0,0|2,0,0]=3 2823 B13R1.2294 CCC1CC1C(=O)NCCC(=O)N 527a_100000740010_200011661523 [0,0,0,1,0,0|2,0,0]=3 2824 B13R1.2294 CCC1CC1C(=O)NCCC(C)O 240690a_200000755665_200011661523 [0,0,0,1,0,0|2,0,1]=4 2825 B13R1.2294 CCC1CC1C(=O)NCCC(C)O 527a_200000755665_200011661523 [0,0,0,1,0,0|2,0,1]=4 2826 B13R1.2294 N#C[C@@H]1C[C@H]1C(=O)CCCC(=O)N 1458a_100015294237_100102525003 [0,0,0,1,0,0|2,0,1]=4 2827 B13R1.2769 CCCCCC(=O)CC1CC1(F)F 1458a_100000138109_100000210326 [0,0,0,1,0,0|2,0,1]=4 2828 B13R1.2769 CCCCCC(=O)CC1CC1(F)F 1458a_100000212188_100009817841 [0,0,0,1,0,0|2,0,1]=4 2829 B13R1.3699 CC(=O)NCCC(=O)N1CCC1C 11a_100000755817_100000183196 [0,0,0,1,0,0|3,0,0]=4 2830 B13R1.3699 CC(=O)NCCC(=O)N1CCC1C 240690a_100000755817_100000183196 [0,0,0,1,0,0|3,0,0]=4 2831 B13R1.3699 CC(=O)NCCC(=O)N1CCC1C 527a_100000755817_100000183196 [0,0,0,1,0,0|3,0,0]=4 2832 B13R1.3699 CC(=O)SCCC(=O)N1CCC1C 240690a_100000755817_100000048949 [0,0,0,1,0,0|3,0,0]=4 2833 B13R1.3699 CC(O)CCCC(=O)N1CCC1C 527a_100000755817_100000761597 [0,0,0,1,0,0|2,0,1]=4 2834 B13R1.3699 CC1CCN1C(=O)CCC[N+](=O)[O-] 11a_100000755817_100016109205 [0,0,0,1,0,0|2,0,1]=4 2835 B13R1.3699 CC1CCN1C(=O)CCC[N+](=O)[O-] 240690a_100000755817_100016109205 [0,0,0,1,0,0|2,0,1]=4 2836 B13R1.3699 CC1CCN1C(=O)CCC[N+](=O)[O-] 527a_100000755817_100016109205 [0,0,0,1,0,0|2,0,1]=4 2837 B13R1.3699 CC1CCN1C(=O)CCNC(=O)N 240690a_100000755817_100000181464 [0,0,0,1,0,0|3,0,0]=4 2838 B13R1.3699 CC1CCN1C(=O)CCNC(=O)N 527a_100000755817_100000181464 [0,0,0,1,0,0|3,0,0]=4 2839 B13R1.3699 CC1CCN1C(=O)COCC(=O)N 240690a_100000755817_100011219004 [0,0,0,1,0,0|3,0,0]=4 2840 B13R1.3699 CC1CCN1C(=O)COCC(=O)N 527a_100000755817_100011219004 [0,0,0,1,0,0|3,0,0]=4 2841 B13R1.3699 CC1CCN1C(=O)CSCC(=O)N 11a_100000755817_100000150265 [0,0,0,1,0,0|3,0,0]=4 2842 B13R1.3699 CC1CCN1C(=O)CSCC(=O)N 240690a_100000755817_100000150265 [0,0,0,1,0,0|3,0,0]=4 2843 B13R1.3699 CC1CCN1C(=O)CSCC(=O)N 527a_100000755817_100000150265 [0,0,0,1,0,0|3,0,0]=4 2844 B13R1.3699 CC1CCN1C(=O)NCCC(=O)N 273464a_100000740010_100000755817 [0,0,0,1,0,0|3,0,0]=4 2845 B13R1.3787 O=C(O)CNC1C(=O)CCCC1=O 269956a_100016091260_100009814513 [0,0,0,1,0,0|2,0,1]=4 2846 B11R0.46 C#CCCCC(=O)CCC(=O)N 1458a_100011215257_100000731252 [0,0,0,0,1,0|1,0,2]=4 2847 B11R0.46 C=C(C)CCC(=O)CCCCC 1458a_100000212188_100000730704 [0,0,0,0,1,0|2,0,0]=3 2848 B11R0.46 C=C(C)CCC(=O)CCCCC 1458a_200000688413_100000210326 [0,0,0,0,1,0|2,0,0]=3 2849 B11R0.46 C=C(C)CCC(=O)CCCCF 1458a_200000688413_100000729493 [0,0,0,0,1,0|3,0,0]=4 2850 B11R0.46 C=C(C)CCC(=O)CCCCO 1458a_100000695505_100000730704 [0,0,0,0,1,0|3,0,0]=4 2851 B11R0.46 C=C(C)CCC(=O)CCCCO 1458a_200000688413_100000210776 [0,0,0,0,1,0|3,0,0]=4 2852 B11R0.46 C=C(C)CCC(=O)CCCOC 1458a_100000741012_100000730704 [0,0,0,0,1,0|3,0,0]=4 2853 B11R0.46 C=C(C)CCC(=O)CCCOC 1458a_200000688413_100000740836 [0,0,0,0,1,0|3,0,0]=4 2854 B11R0.46 C=C(C)CCC(=O)CCCSC 1458a_100000173376_100000730704 [0,0,0,0,1,0|3,0,0]=4 2855 B11R0.46 C=C(C)CCC(=O)CCOCC 1458a_100000749530_100000730704 [0,0,0,0,1,0|3,0,0]=4 2856 B11R0.46 C=C(C)CCC(=O)CCOCC 1458a_200000688413_100011215890 [0,0,0,0,1,0|3,0,0]=4 2857 B11R0.46 C=C(C)CCC(=O)CCSCC 1458a_100000230768_100000730704 [0,0,0,0,1,0|3,0,0]=4 2858 B11R0.46 C=C(C)CCC(=O)CCSCC 1458a_200000688413_100000757381 [0,0,0,0,1,0|3,0,0]=4 2859 B11R0.46 C=C(C)CCC(=O)COCCC 1458a_100000745993_100000730704 [0,0,0,0,1,0|3,0,0]=4 2860 B11R0.46 C=C(C)CCC(=O)CSCCC 1458a_100000217233_100000730704 [0,0,0,0,1,0|3,0,0]=4 2861 B11R0.46 C=C(C)CCC(=O)NCCCC 11a_100000102301_200000688413 [0,0,0,0,1,0|3,0,0]=4 2862 B11R0.46 C=C(C)CCC(=O)NCCCC 1626a_100000102301_200000688413 [0,0,0,0,1,0|3,0,0]=4 2863 B11R0.46 C=C(C)CCC(=O)NCCCC 240690a_100000102301_200000688413 [0,0,0,0,1,0|3,0,0]=4 2864 B11R0.46 C=C(C)CCC(=O)NCCCC 527a_100000102301_200000688413 [0,0,0,0,1,0|3,0,0]=4 2865 B11R0.46 C=C(C)CNC(=O)CCCCC 11a_100000765925_100000212188 [0,0,0,0,1,0|3,0,0]=4 2866 B11R0.46 C=C(C)CNC(=O)CCCCC 1626a_100000765925_100000212188 [0,0,0,0,1,0|3,0,0]=4 2867 B11R0.46 C=C(C)CNC(=O)CCCCC 240690a_100000765925_100000212188 [0,0,0,0,1,0|3,0,0]=4 2868 B11R0.46 C=C(C)CNC(=O)CCCCC 527a_100000765925_100000212188 [0,0,0,0,1,0|3,0,0]=4 2869 B11R0.46 C=CCCCC(=O)CCC(=O)N 1458a_100011215257_100000757094 [0,0,0,0,1,0|1,0,2]=4 2870 B11R0.46 CC(=O)NCC(=O)CCCCF 1458a_100000194580_100000729493 [0,0,0,0,1,0|3,0,0]=4 2871 B11R0.46 CC(=O)NCC(=O)CCCCO 1458a_100000194580_100000210776 [0,0,0,0,1,0|3,0,0]=4 2872 B11R0.46 CC(=O)OCC(=O)CCCCF 1458a_100000183556_100000729493 [0,0,0,0,1,0|3,0,0]=4 2873 B11R0.46 CC(=O)OCC(=O)CCCCO 1458a_100000183556_100000210776 [0,0,0,0,1,0|3,0,0]=4 2874 B11R0.46 CC(=O)SCC(=O)CCCCF 1458a_100000049016_100000729493 [0,0,0,0,1,0|3,0,0]=4 2875 B11R0.46 CC(=O)SCC(=O)CCCCO 1458a_100000049016_100000210776 [0,0,0,0,1,0|3,0,0]=4 2876 B11R0.46 CC(O)CCC(=O)CCCCO 1458a_100000695505_100012276601 [0,0,0,0,1,0|2,0,1]=4 2877 B11R0.46 CC/C=C\CC(=O)CCC(=O)N 1458a_100011215257_100103147603 [0,0,0,0,1,0|1,0,2]=4 2878 B11R0.46 CCC#CCC(=O)CCC(=O)N 1458a_100011215257_100009813939 [0,0,0,0,1,0|1,0,2]=4 2879 B11R0.46 CCCCCC(=O)CC=C(C)C 1458a_100000212188_100000761012 [0,0,0,0,1,0|2,0,1]=4 2880 B11R0.46 CCCCCC(=O)CC=C(C)C 1458a_100011220947_100000210326 [0,0,0,0,1,0|2,0,1]=4 2881 B11R0.46 CCCCCC(=O)CCC(=O)N 1458a_100011215257_100000210326 [0,0,0,0,1,0|1,0,0]=2 2882 B11R0.46 CCCCCC(=O)CCC(C)C 1458a_100000181311_100000210326 [0,0,0,0,1,0|2,0,1]=4 2883 B11R0.46 CCCCCC(=O)CCC(C)C 1458a_100000212188_100000210312 [0,0,0,0,1,0|2,0,1]=4 2884 B11R0.46 CCCCCC(=O)CCC(C)O 1458a_100000212188_100012276601 [0,0,0,0,1,0|1,0,1]=3 2885 B11R0.46 CCCCCC(=O)CC[N+](=O)[O-] 1458a_200000064761_100000210326 [0,0,0,0,1,0|1,0,1]=3 2886 B11R0.46 CCCCCC(=O)CC[S+](C)C 1458a_100009452791_100000210326 [0,0,0,0,1,0|3,0,0]=4 2887 B11R0.46 CCCCCC(=O)CNC(=O)C 1458a_100000194580_100000210326 [0,0,0,0,1,0|2,0,0]=3 2888 B11R0.46 CCCCCC(=O)CNC(=O)N 1458a_100000184981_100000210326 [0,0,0,0,1,0|2,0,0]=3 2889 B11R0.46 CCCCCC(=O)COC(=O)C 1458a_100000183556_100000210326 [0,0,0,0,1,0|2,0,0]=3 2890 B11R0.46 CCCCCC(=O)CSC(=O)C 1458a_100000049016_100000210326 [0,0,0,0,1,0|2,0,0]=3 2891 B11R0.46 CCCCCC(=O)NCC(=O)N 11a_100000711301_100000212188 [0,0,0,0,1,0|2,0,0]=3 2892 B11R0.46 CCCCCC(=O)NCC(=O)N 240690a_100000711301_100000212188 [0,0,0,0,1,0|2,0,0]=3 2893 B11R0.46 CCCCCC(=O)NCC(=O)N 527a_100000711301_100000212188 [0,0,0,0,1,0|2,0,0]=3 2894 B11R0.46 CCCCCC(=O)NCC(C)O 11a_100000210904_100000212188 [0,0,0,0,1,0|2,0,1]=4 2895 B11R0.46 CCCCCC(=O)NCC(C)O 240690a_100000210904_100000212188 [0,0,0,0,1,0|2,0,1]=4 2896 B11R0.46 CCCCCC(=O)NCC(C)O 527a_100000210904_100000212188 [0,0,0,0,1,0|2,0,1]=4 2897 B11R0.46 CCCCCC(=O)NNC(=O)C 22a_100000189765_100000212188 [0,0,0,0,1,0|3,0,0]=4 2898 B11R0.46 CCCCCC(=O)NNC(=O)C 22a_100000189784_100000070787 [0,0,0,0,1,0|3,0,0]=4 2899 B11R0.46 CCCCCC(C)CCC(=O)C 1458a_100000034243_200000210301 [0,0,0,0,1,0|2,0,1]=4 2900 B11R0.46 CCCCCC(C)CCC(=O)[13CH3] 1458a_100000034243_200025704644 [0,0,0,0,1,0|2,0,1]=4 2901 B11R0.46 CCCCCC(C)NCC(=O)O 269956a_100016091260_200011218191 [0,0,0,0,1,0|2,0,1]=4 2902 B11R0.46 CCCCCN(C)CCC(=O)C 1458a_100016987678_200000210301 [0,0,0,0,1,0|3,0,0]=4 2903 B11R0.46 CCCCCN(C)CCC(=O)C 269982a_100000223495_100000053229 [0,0,0,0,1,0|3,0,0]=4 2904 B11R0.46 CCCCCN(C)CCC(=O)N 2230a_100000223495_100000744528 [0,0,0,0,1,0|3,0,0]=4 2905 B11R0.46 CCCCCN(C)CCC(=O)N 2230a_100000730477_100000210326 [0,0,0,0,1,0|3,0,0]=4 2906 B11R0.46 CCCCCN(C)CCC(=O)N 269982a_100000223495_100000744528 [0,0,0,0,1,0|3,0,0]=4 2907 B11R0.46 CCCCCN(C)CCC(=O)[13CH3] 1458a_100016987678_200025704644 [0,0,0,0,1,0|3,0,0]=4 2908 B11R0.46 CCCCNC(=O)CCC(=O)N 240690a_100000102301_100011215257 [0,0,0,0,1,0|2,0,0]=3 2909 B11R0.46 CCCCNC(=O)CCC(=O)N 527a_100000102301_100011215257 [0,0,0,0,1,0|2,0,0]=3 2910 B11R0.46 CCCCNC(=O)CCC(C)O 1626a_100000102301_100000718519 [0,0,0,0,1,0|2,0,1]=4 2911 B11R0.46 CCCCNC(=O)CC[N+](=O)[O-] 11a_100000102301_200000064761 [0,0,0,0,1,0|2,0,1]=4 2912 B11R0.46 CCCCNC(=O)CC[N+](=O)[O-] 1626a_100000102301_200000064761 [0,0,0,0,1,0|2,0,1]=4 2913 B11R0.46 CCCCNC(=O)CC[N+](=O)[O-] 240690a_100000102301_200000064761 [0,0,0,0,1,0|2,0,1]=4 2914 B11R0.46 CCCCNC(=O)CNC(=O)C 11a_100000102301_100000194580 [0,0,0,0,1,0|3,0,0]=4 2915 B11R0.46 CCCCNC(=O)CNC(=O)C 1626a_100000102301_100000194580 [0,0,0,0,1,0|3,0,0]=4 2916 B11R0.46 CCCCNC(=O)CNC(=O)C 240690a_100000102301_100000194580 [0,0,0,0,1,0|3,0,0]=4 2917 B11R0.46 CCCCNC(=O)CNC(=O)C 527a_100000102301_100000194580 [0,0,0,0,1,0|3,0,0]=4 2918 B11R0.46 CCCCNC(=O)CNC(=O)N 240690a_100000102301_100000184981 [0,0,0,0,1,0|3,0,0]=4 2919 B11R0.46 CCCCNC(=O)CNC(=O)N 527a_100000102301_100000184981 [0,0,0,0,1,0|3,0,0]=4 2920 B11R0.46 CCCCNC(=O)COC(=O)C 1626a_100000102301_100000183556 [0,0,0,0,1,0|3,0,0]=4 2921 B11R0.46 CCCCNC(=O)COC(=O)C 240690a_100000102301_100000183556 [0,0,0,0,1,0|3,0,0]=4 2922 B11R0.46 CCCCNC(=O)COC(=O)C 527a_100000102301_100000183556 [0,0,0,0,1,0|3,0,0]=4 2923 B11R0.46 CCCCNC(=O)CSC(=O)C 11a_100000102301_100000049016 [0,0,0,0,1,0|3,0,0]=4 2924 B11R0.46 CCCCNC(=O)CSC(=O)C 1626a_100000102301_100000049016 [0,0,0,0,1,0|3,0,0]=4 2925 B11R0.46 CCCCNC(=O)CSC(=O)C 240690a_100000102301_100000049016 [0,0,0,0,1,0|3,0,0]=4 2926 B11R0.46 CCCCNC(=O)CSC(=O)N 240690a_100000102301_200015941356 [0,0,0,0,1,0|3,0,0]=4 2927 B11R0.46 CCCCNC(=O)NCC(=O)N 2708a_100000102301_100000711301 [0,0,0,0,1,0|3,0,0]=4 2928 B11R0.46 CCCCNC(=O)NCC(=O)N 273464a_100000102301_100000711301 [0,0,0,0,1,0|3,0,0]=4 2929 B11R0.46 CCCCNC(=O)NCC(=O)N 273464a_100000711301_100000102301 [0,0,0,0,1,0|3,0,0]=4 2930 B11R0.46 CCCCNC(=O)NCC(=O)N 512a_100000102301_100000711301 [0,0,0,0,1,0|3,0,0]=4 2931 B11R0.46 CCCNCC(=O)NCC(=O)O 269956a_100000183575_100000210207 [0,0,0,0,1,0|2,0,0]=3 2932 B11R0.46 CCCNNC(=O)CCC(=O)N 22a_100000740057_100011215257 [0,0,0,0,1,0|3,0,0]=4 2933 B11R0.46 CCCOCC(=O)CCC(C)O 1458a_100000745993_100012276601 [0,0,0,0,1,0|2,0,1]=4 2934 B11R0.46 CCCOCC(=O)COC(=O)C 34a_100000210258_100000036994 [0,0,0,0,1,0|3,0,0]=4 2935 B11R0.46 CCCOCC(=O)NCC(=O)N 11a_100000711301_100000745993 [0,0,0,0,1,0|3,0,0]=4 2936 B11R0.46 CCCOCC(=O)NCC(=O)N 240690a_100000711301_100000745993 [0,0,0,0,1,0|3,0,0]=4 2937 B11R0.46 CCCOCC(=O)NCC(=O)N 527a_100000711301_100000745993 [0,0,0,0,1,0|3,0,0]=4 2938 B11R0.46 CCCSCC(=O)CCC(C)O 1458a_100000217233_100012276601 [0,0,0,0,1,0|2,0,1]=4 2939 B11R0.46 CCCSCC(=O)COC(=O)C 62a_100000036994_100000210303 [0,0,0,0,1,0|3,0,0]=4 2940 B11R0.46 CCCSCC(=O)COC(=O)C 62a_100000210303_100000036994 [0,0,0,0,1,0|3,0,0]=4 2941 B11R0.46 CCCSCC(=O)NCC(=O)N 11a_100000711301_100000217233 [0,0,0,0,1,0|3,0,0]=4 2942 B11R0.46 CCCSCC(=O)NCC(=O)N 240690a_100000711301_100000217233 [0,0,0,0,1,0|3,0,0]=4 2943 B11R0.46 CCCSCC(=O)NCC(=O)N 527a_100000711301_100000217233 [0,0,0,0,1,0|3,0,0]=4 2944 B11R0.46 CCNCCC(=O)NCC(=O)O 269956a_100000722369_100000210202 [0,0,0,0,1,0|2,0,0]=3 2945 B11R0.46 CCOCCC(=O)CCC(=O)N 1458a_100011215257_100011215890 [0,0,0,0,1,0|2,0,0]=3 2946 B11R0.46 CCOCCC(=O)CCC(C)O 1458a_100000749530_100012276601 [0,0,0,0,1,0|2,0,1]=4 2947 B11R0.46 CCOCCC(=O)CC[N+](=O)[O-] 1458a_200000064761_100011215890 [0,0,0,0,1,0|2,0,1]=4 2948 B11R0.46 CCOCCC(=O)CNC(=O)C 1458a_100000194580_100011215890 [0,0,0,0,1,0|3,0,0]=4 2949 B11R0.46 CCOCCC(=O)CNC(=O)N 1458a_100000184981_100011215890 [0,0,0,0,1,0|3,0,0]=4 2950 B11R0.46 CCOCCC(=O)COC(=O)C 1458a_100000183556_100011215890 [0,0,0,0,1,0|3,0,0]=4 2951 B11R0.46 CCOCCC(=O)CSC(=O)C 1458a_100000049016_100011215890 [0,0,0,0,1,0|3,0,0]=4 2952 B11R0.46 CCOCCC(=O)NCC(=O)N 11a_100000711301_100000749530 [0,0,0,0,1,0|3,0,0]=4 2953 B11R0.46 CCOCCC(=O)NCC(=O)N 240690a_100000711301_100000749530 [0,0,0,0,1,0|3,0,0]=4 2954 B11R0.46 CCOCCC(=O)NCC(=O)N 527a_100000711301_100000749530 [0,0,0,0,1,0|3,0,0]=4 2955 B11R0.46 CCSCCC(=O)CCC(=O)N 1458a_100011215257_100000757381 [0,0,0,0,1,0|2,0,0]=3 2956 B11R0.46 CCSCCC(=O)CCC(C)O 1458a_100000230768_100012276601 [0,0,0,0,1,0|2,0,1]=4 2957 B11R0.46 CCSCCC(=O)CC[N+](=O)[O-] 1458a_200000064761_100000757381 [0,0,0,0,1,0|2,0,1]=4 2958 B11R0.46 CCSCCC(=O)CNC(=O)C 1458a_100000194580_100000757381 [0,0,0,0,1,0|3,0,0]=4 2959 B11R0.46 CCSCCC(=O)CNC(=O)N 1458a_100000184981_100000757381 [0,0,0,0,1,0|3,0,0]=4 2960 B11R0.46 CCSCCC(=O)COC(=O)C 1458a_100000183556_100000757381 [0,0,0,0,1,0|3,0,0]=4 2961 B11R0.46 CCSCCC(=O)CSC(=O)C 1458a_100000049016_100000757381 [0,0,0,0,1,0|3,0,0]=4 2962 B11R0.46 CCSCCC(=O)NCC(=O)N 11a_100000711301_100000230768 [0,0,0,0,1,0|3,0,0]=4 2963 B11R0.46 CCSCCC(=O)NCC(=O)N 240690a_100000711301_100000230768 [0,0,0,0,1,0|3,0,0]=4 2964 B11R0.46 CCSCCC(=O)NCC(=O)N 527a_100000711301_100000230768 [0,0,0,0,1,0|3,0,0]=4 2965 B11R0.46 COCCCC(=O)CCC(=O)N 1458a_100011215257_100000740836 [0,0,0,0,1,0|2,0,0]=3 2966 B11R0.46 COCCCC(=O)CCC(C)O 1458a_100000741012_100012276601 [0,0,0,0,1,0|2,0,1]=4 2967 B11R0.46 COCCCC(=O)CC[N+](=O)[O-] 1458a_200000064761_100000740836 [0,0,0,0,1,0|2,0,1]=4 2968 B11R0.46 COCCCC(=O)CNC(=O)C 1458a_100000194580_100000740836 [0,0,0,0,1,0|3,0,0]=4 2969 B11R0.46 COCCCC(=O)CNC(=O)N 1458a_100000184981_100000740836 [0,0,0,0,1,0|3,0,0]=4 2970 B11R0.46 COCCCC(=O)COC(=O)C 1458a_100000183556_100000740836 [0,0,0,0,1,0|3,0,0]=4 2971 B11R0.46 COCCCC(=O)CSC(=O)C 1458a_100000049016_100000740836 [0,0,0,0,1,0|3,0,0]=4 2972 B11R0.46 COCCCC(=O)NCC(=O)N 11a_100000711301_100000741012 [0,0,0,0,1,0|3,0,0]=4 2973 B11R0.46 COCCCC(=O)NCC(=O)N 240690a_100000711301_100000741012 [0,0,0,0,1,0|3,0,0]=4 2974 B11R0.46 COCCCC(=O)NCC(=O)N 527a_100000711301_100000741012 [0,0,0,0,1,0|3,0,0]=4 2975 B11R0.46 COCCNC(=O)CCC(=O)N 240690a_100000209980_100011215257 [0,0,0,0,1,0|3,0,0]=4 2976 B11R0.46 COCCNC(=O)CCC(=O)N 527a_100000209980_100011215257 [0,0,0,0,1,0|3,0,0]=4 2977 B11R0.46 COCNCC(=O)NCC(=O)O 269956a_100000183575_100000766300 [0,0,0,0,1,0|3,0,0]=4 2978 B11R0.46 CSCCCC(=O)CCC(C)O 1458a_100000173376_100012276601 [0,0,0,0,1,0|2,0,1]=4 2979 B11R0.46 CSCCCC(=O)NCC(=O)N 11a_100000711301_100000173376 [0,0,0,0,1,0|3,0,0]=4 2980 B11R0.46 CSCCCC(=O)NCC(=O)N 240690a_100000711301_100000173376 [0,0,0,0,1,0|3,0,0]=4 2981 B11R0.46 CSCCCC(=O)NCC(=O)N 527a_100000711301_100000173376 [0,0,0,0,1,0|3,0,0]=4 2982 B11R0.46 CSCCNC(=O)CCC(=O)N 240690a_100020590264_100011215257 [0,0,0,0,1,0|3,0,0]=4 2983 B11R0.46 CSCCNC(=O)CCC(=O)N 527a_100020590264_100011215257 [0,0,0,0,1,0|3,0,0]=4 2984 B11R0.46 CSCNCC(=O)NCC(=O)O 269956a_100000183575_100011218213 [0,0,0,0,1,0|3,0,0]=4 2985 B11R0.46 N#CCCCC(=O)CCC(=O)N 1458a_100011215257_100000211468 [0,0,0,0,1,0|2,0,1]=4 2986 B11R0.46 NC(=O)CCC(=O)CCCCF 1458a_100011215257_100000729493 [0,0,0,0,1,0|2,0,0]=3 2987 B11R0.46 NC(=O)CCC(=O)CCCCO 1458a_100011215257_100000210776 [0,0,0,0,1,0|2,0,0]=3 2988 B11R0.46 NC(=O)CCC(=O)NCCCF 240690a_100015189416_100011215257 [0,0,0,0,1,0|3,0,0]=4 2989 B11R0.46 NC(=O)CCC(=O)NCCCF 527a_100015189416_100011215257 [0,0,0,0,1,0|3,0,0]=4 2990 B11R0.46 NC(=O)CCC(=O)NCCCO 240690a_100000182051_100011215257 [0,0,0,0,1,0|3,0,0]=4 2991 B11R0.46 NC(=O)CCC(=O)NCCCO 527a_100000182051_100011215257 [0,0,0,0,1,0|3,0,0]=4 2992 B11R0.46 NC(=O)NCC(=O)CCCCF 1458a_100000184981_100000729493 [0,0,0,0,1,0|3,0,0]=4 2993 B11R0.46 NC(=O)NCC(=O)CCCCO 1458a_100000184981_100000210776 [0,0,0,0,1,0|3,0,0]=4 2994 B11R0.46 O=C(CCCCF)CC[N+](=O)[O-] 1458a_200000064761_100000729493 [0,0,0,0,1,0|2,0,1]=4 2995 B11R0.46 O=C(CCCCO)CC[N+](=O)[O-] 1458a_200000064761_100000210776 [0,0,0,0,1,0|2,0,1]=4 2996 B11R0.46 O=C(O)CNC(=O)CCNCF 269956a_100000722369_100015361967 [0,0,0,0,1,0|3,0,0]=4 2997 B11R0.46 O=C(O)CNC(=O)CNCCF 269956a_100000183575_100011217306 [0,0,0,0,1,0|3,0,0]=4 2998 B11R0.46 O=C(O)CNC(=O)CNCCO 269956a_100000183575_100000211926 [0,0,0,0,1,0|3,0,0]=4 2999 B13R0.188 C#CCCCC(=O)CCCCC(=O)C 1458a_100000690238_100000735457 [0,0,0,0,0,1|1,0,2]=4 3000 B13R0.188 C#CCCCC(=O)CCCNC(=O)C 1458a_100000194741_100000731252 [0,0,0,0,0,1|1,0,2]=4 3001 B13R0.188 C#CCCCC(=O)CCCOC(=O)C 1458a_100000690238_100000042594 [0,0,0,0,0,1|1,0,2]=4 3002 B13R0.188 C#CCCCC(=O)CCCSC(=O)C 1458a_100000690238_100000038929 [0,0,0,0,0,1|1,0,2]=4 3003 B13R0.188 C#CCCCC(=O)CCOCC(=O)N 1458a_100000690238_100000076697 [0,0,0,0,0,1|1,0,2]=4 3004 B13R0.188 C#CCCCC(=O)CCSCC(=O)N 1458a_100000148550_100000731252 [0,0,0,0,0,1|1,0,2]=4 3005 B13R0.188 C#CCCCC(=O)NCCCC(=O)N 240690a_100000739312_100000690238 [0,0,0,0,0,1|1,0,2]=4 3006 B13R0.188 C#CCCCC(=O)NCCCC(=O)N 527a_100000739312_100000690238 [0,0,0,0,0,1|1,0,2]=4 3007 B13R0.188 C=C(Br)CCOCC(=O)CCCCC 34a_100009813270_200012276598 [0,0,0,0,0,1|2,0,0]=3 3008 B13R0.188 C=C(Br)CCOCC(=O)NCCCC 34a_100009813270_100000182744 [0,0,0,0,0,1|3,0,0]=4 3009 B13R0.188 C=C(Br)CCOCC(=O)OCCCC 34a_100009813270_100000211628 [0,0,0,0,0,1|3,0,0]=4 3010 B13R0.188 C=C(C)CCOCC(=O)CCCCC 34a_100000764851_200012276598 [0,0,0,0,0,1|2,0,0]=3 3011 B13R0.188 C=C(C)CCOCC(=O)NCCCC 34a_100000764851_100000182744 [0,0,0,0,0,1|3,0,0]=4 3012 B13R0.188 C=C(C)CCOCC(=O)OCCCC 34a_100000764851_100000211628 [0,0,0,0,0,1|3,0,0]=4 3013 B13R0.188 C=C(C)CCSCC(=O)CCCCC 62a_100000730704_200012276598 [0,0,0,0,0,1|2,0,0]=3 3014 B13R0.188 C=C(C)CCSCC(=O)CCCCC 62a_200012276598_100000730704 [0,0,0,0,0,1|2,0,0]=3 3015 B13R0.188 C=C(C)CCSCC(=O)NCCCC 62a_100000182744_100000730704 [0,0,0,0,0,1|3,0,0]=4 3016 B13R0.188 C=C(C)CCSCC(=O)NCCCC 62a_100000730704_100000182744 [0,0,0,0,0,1|3,0,0]=4 3017 B13R0.188 C=C(C)CCSCC(=O)OCCCC 62a_100000211628_100000730704 [0,0,0,0,0,1|3,0,0]=4 3018 B13R0.188 C=C(C)CCSCC(=O)OCCCC 62a_100000730704_100000211628 [0,0,0,0,0,1|3,0,0]=4 3019 B13R0.188 C=CCCCC(=O)CCCCC(=O)C 1458a_100000766728_100000735457 [0,0,0,0,0,1|1,0,2]=4 3020 B13R0.188 C=CCCCC(=O)CCCNC(=O)C 1458a_100000194741_100000757094 [0,0,0,0,0,1|1,0,2]=4 3021 B13R0.188 C=CCCCC(=O)CCCOC(=O)C 1458a_100000766728_100000042594 [0,0,0,0,0,1|1,0,2]=4 3022 B13R0.188 C=CCCCC(=O)CCCSC(=O)C 1458a_100000766728_100000038929 [0,0,0,0,0,1|1,0,2]=4 3023 B13R0.188 C=CCCCC(=O)CCOCC(=O)N 1458a_100000766728_100000076697 [0,0,0,0,0,1|1,0,2]=4 3024 B13R0.188 C=CCCCC(=O)CCSCC(=O)N 1458a_100000148550_100000757094 [0,0,0,0,0,1|1,0,2]=4 3025 B13R0.188 C=CCCCC(=O)NCCCC(=O)N 240690a_100000739312_100000766728 [0,0,0,0,0,1|1,0,2]=4 3026 B13R0.188 C=CCCCC(=O)NCCCC(=O)N 527a_100000739312_100000766728 [0,0,0,0,0,1|1,0,2]=4 3027 B13R0.188 CC(=O)CCCCC(=O)CCCC#N 1458a_100000075515_100000735457 [0,0,0,0,0,1|2,0,1]=4 3028 B13R0.188 CC(=O)CCCCC(=O)CCCCO 1458a_100000695505_100000735457 [0,0,0,0,0,1|2,0,0]=3 3029 B13R0.188 CC(=O)CCCCC(=O)COCCO 1458a_100000708028_100000735457 [0,0,0,0,0,1|3,0,0]=4 3030 B13R0.188 CC(=O)NCCCC(=O)CCCC#N 1458a_100000194741_100000211468 [0,0,0,0,0,1|2,0,1]=4 3031 B13R0.188 CC(=O)NCCCC(=O)CCCCF 1458a_100000194741_100000729493 [0,0,0,0,0,1|2,0,0]=3 3032 B13R0.188 CC(=O)NCCCC(=O)CCCCO 1458a_100000194741_100000210776 [0,0,0,0,0,1|2,0,0]=3 3033 B13R0.188 CC(=O)NCCCC(=O)NCCCF 11a_100015189416_100000194741 [0,0,0,0,0,1|3,0,0]=4 3034 B13R0.188 CC(=O)NCCCC(=O)NCCCF 1626a_100015189416_100000194741 [0,0,0,0,0,1|3,0,0]=4 3035 B13R0.188 CC(=O)NCCCC(=O)NCCCF 240690a_100015189416_100000194741 [0,0,0,0,0,1|3,0,0]=4 3036 B13R0.188 CC(=O)NCCCC(=O)NCCCF 527a_100015189416_100000194741 [0,0,0,0,0,1|3,0,0]=4 3037 B13R0.188 CC(=O)NCCCC(=O)NCCCO 240690a_100000182051_100000194741 [0,0,0,0,0,1|3,0,0]=4 3038 B13R0.188 CC(=O)NCCCC(=O)NCCCO 527a_100000182051_100000194741 [0,0,0,0,0,1|3,0,0]=4 3039 B13R0.188 CC(=O)OCCCC(=O)CCCC#N 1458a_100000075515_100000042594 [0,0,0,0,0,1|2,0,1]=4 3040 B13R0.188 CC(=O)OCCCC(=O)CCCCO 1458a_100000695505_100000042594 [0,0,0,0,0,1|2,0,0]=3 3041 B13R0.188 CC(=O)OCCCC(=O)COCCO 1458a_100000708028_100000042594 [0,0,0,0,0,1|3,0,0]=4 3042 B13R0.188 CC(=O)SCCCC(=O)CCCC#N 1458a_100000075515_100000038929 [0,0,0,0,0,1|2,0,1]=4 3043 B13R0.188 CC(=O)SCCCC(=O)CCCCO 1458a_100000695505_100000038929 [0,0,0,0,0,1|2,0,0]=3 3044 B13R0.188 CC(=O)SCCCC(=O)COCCO 1458a_100000708028_100000038929 [0,0,0,0,0,1|3,0,0]=4 3045 B13R0.188 CC(=S)OCCCC(=O)CCCCO 1458a_100000695505_200135323944 [0,0,0,0,0,1|2,1,0]=4 3046 B13R0.188 CC/C=C/CC(=O)CCCCC(=O)C 1458a_100016274230_100000735457 [0,0,0,0,0,1|1,0,2]=4 3047 B13R0.188 CC/C=C/CC(=O)CCCOC(=O)C 1458a_100016274230_100000042594 [0,0,0,0,0,1|1,0,2]=4 3048 B13R0.188 CC/C=C/CC(=O)CCCSC(=O)C 1458a_100016274230_100000038929 [0,0,0,0,0,1|1,0,2]=4 3049 B13R0.188 CC/C=C/CC(=O)CCOCC(=O)N 1458a_100016274230_100000076697 [0,0,0,0,0,1|1,0,2]=4 3050 B13R0.188 CC/C=C/CC(=O)NCCCC(=O)N 240690a_100000739312_100016274230 [0,0,0,0,0,1|1,0,2]=4 3051 B13R0.188 CC/C=C/CC(=O)NCCCC(=O)N 527a_100000739312_100016274230 [0,0,0,0,0,1|1,0,2]=4 3052 B13R0.188 CC/C=C\CC(=O)CCCNC(=O)C 1458a_100000194741_100103147603 [0,0,0,0,0,1|1,0,2]=4 3053 B13R0.188 CC/C=C\CC(=O)CCSCC(=O)N 1458a_100000148550_100103147603 [0,0,0,0,0,1|1,0,2]=4 3054 B13R0.188 CCC#CCC(=O)CCCNC(=O)C 1458a_100000194741_100009813939 [0,0,0,0,0,1|1,0,2]=4 3055 B13R0.188 CCC#CCC(=O)CCSCC(=O)N 1458a_100000148550_100009813939 [0,0,0,0,0,1|1,0,2]=4 3056 B13R0.188 CCCC#CC(=O)CCCCC(=O)C 1458a_200011218047_100000735457 [0,0,0,0,0,1|1,0,2]=4 3057 B13R0.188 CCCC#CC(=O)CCCOC(=O)C 1458a_200011218047_100000042594 [0,0,0,0,0,1|1,0,2]=4 3058 B13R0.188 CCCC#CC(=O)CCCSC(=O)C 1458a_200011218047_100000038929 [0,0,0,0,0,1|1,0,2]=4 3059 B13R0.188 CCCC#CC(=O)CCOCC(=O)N 1458a_200011218047_100000076697 [0,0,0,0,0,1|1,0,2]=4 3060 B13R0.188 CCCC#CC(=O)NCCCC(=O)N 240690a_100000739312_200011218047 [0,0,0,0,0,1|1,0,2]=4 3061 B13R0.188 CCCC=CC(=O)CCCCC(=O)C 1458a_100000212230_100000735457 [0,0,0,0,0,1|1,0,2]=4 3062 B13R0.188 CCCC=CC(=O)CCCOC(=O)C 1458a_100000212230_100000042594 [0,0,0,0,0,1|1,0,2]=4 3063 B13R0.188 CCCC=CC(=O)CCCSC(=O)C 1458a_100000212230_100000038929 [0,0,0,0,0,1|1,0,2]=4 3064 B13R0.188 CCCC=CC(=O)CCOCC(=O)N 1458a_100000212230_100000076697 [0,0,0,0,0,1|1,0,2]=4 3065 B13R0.188 CCCC=CC(=O)NCCCC(=O)N 240690a_100000739312_100000212230 [0,0,0,0,0,1|1,0,2]=4 3066 B13R0.188 CCCCCC(=O)CCCCB(O)O 1458a_100000212188_200009817182 [0,0,0,0,0,1|1,0,1]=3 3067 B13R0.188 CCCCCC(=O)CCCCC(=O)C 1458a_100000212188_100000735457 [0,0,0,0,0,1|1,0,0]=2 3068 B13R0.188 CCCCCC(=O)CCCCC(C)C 1458a_100000212188_100011216152 [0,0,0,0,0,1|2,0,1]=4 3069 B13R0.188 CCCCCC(=O)CCCCC(C)C 1458a_100011933920_100000210326 [0,0,0,0,0,1|2,0,1]=4 3070 B13R0.188 CCCCCC(=O)CCCN=C(N)N 1458a_100000034108_100000210326 [0,0,0,0,0,1|2,0,0]=3 3071 B13R0.188 CCCCCC(=O)CCCNC(=O)C 1458a_100000194741_100000210326 [0,0,0,0,0,1|1,0,0]=2 3072 B13R0.188 CCCCCC(=O)CCCOC(=O)C 1458a_100000212188_100000042594 [0,0,0,0,0,1|1,0,0]=2 3073 B13R0.188 CCCCCC(=O)CCCOC(=S)C 1458a_100000212188_200135323944 [0,0,0,0,0,1|1,1,0]=3 3074 B13R0.188 CCCCCC(=O)CCCSC(=O)C 1458a_100000212188_100000038929 [0,0,0,0,0,1|1,0,0]=2 3075 B13R0.188 CCCCCC(=O)CCOCC(=O)N 1458a_100000212188_100000076697 [0,0,0,0,0,1|1,0,0]=2 3076 B13R0.188 CCCCCC(=O)CCOCC(F)F 1458a_100000212188_200012177212 [0,0,0,0,0,1|2,0,1]=4 3077 B13R0.188 CCCCCC(=O)CCSCC(=O)N 1458a_100000148550_100000210326 [0,0,0,0,0,1|1,0,0]=2 3078 B13R0.188 CCCCCC(=O)CNCC=C(C)C 34a_100000718196_200012276598 [0,0,0,0,0,1|2,0,1]=4 3079 B13R0.188 CCCCCC(=O)CNCCC(C)O 2230a_200000755665_200012276598 [0,0,0,0,0,1|1,0,1]=3 3080 B13R0.188 CCCCCC(=O)CNOCC(=O)O 269956a_100000106656_200012276598 [0,0,0,0,0,1|1,0,0]=2 3081 B13R0.188 CCCCCC(=O)COCC=C(C)C 34a_100000753907_200012276598 [0,0,0,0,0,1|2,0,1]=4 3082 B13R0.188 CCCCCC(=O)COCCC(=O)C 34a_100000759926_200012276598 [0,0,0,0,0,1|1,0,0]=2 3083 B13R0.188 CCCCCC(=O)COCCC(=O)C 7a_100000759926_200012276598 [0,0,0,0,0,1|1,0,0]=2 3084 B13R0.188 CCCCCC(=O)COCCC(=O)N 34a_100000757172_200012276598 [0,0,0,0,0,1|1,0,0]=2 3085 B13R0.188 CCCCCC(=O)COCCC(=O)N 7a_100000757172_200012276598 [0,0,0,0,0,1|1,0,0]=2 3086 B13R0.188 CCCCCC(=O)COCCC(C)Br 34a_100009893172_200012276598 [0,0,0,0,0,1|2,0,1]=4 3087 B13R0.188 CCCCCC(=O)COCCC(C)C 34a_100000210254_200012276598 [0,0,0,0,0,1|2,0,1]=4 3088 B13R0.188 CCCCCC(=O)COCCC(C)C 7a_100000210254_200012276598 [0,0,0,0,0,1|2,0,1]=4 3089 B13R0.188 CCCCCC(=O)COCCC(F)F 34a_100103093639_200012276598 [0,0,0,0,0,1|2,0,1]=4 3090 B13R0.188 CCCCCC(=O)COCC[C@@H](C)N 34a_100000706166_200012276598 [0,0,0,0,0,1|2,0,1]=4 3091 B13R0.188 CCCCCC(=O)CSCC=C(C)C 62a_100000761012_200012276598 [0,0,0,0,0,1|2,0,1]=4 3092 B13R0.188 CCCCCC(=O)CSCC=C(C)C 62a_200012276598_100000761012 [0,0,0,0,0,1|2,0,1]=4 3093 B13R0.188 CCCCCC(=O)CSCCC(=O)C 62a_100000053229_200012276598 [0,0,0,0,0,1|1,0,0]=2 3094 B13R0.188 CCCCCC(=O)CSCCC(=O)C 62a_200012276598_100000053229 [0,0,0,0,0,1|1,0,0]=2 3095 B13R0.188 CCCCCC(=O)CSCCC(=O)N 62a_100000744528_200012276598 [0,0,0,0,0,1|1,0,0]=2 3096 B13R0.188 CCCCCC(=O)CSCCC(=O)N 62a_200012276598_100000744528 [0,0,0,0,0,1|1,0,0]=2 3097 B13R0.188 CCCCCC(=O)CSCCC(C)C 62a_100000210312_200012276598 [0,0,0,0,0,1|2,0,1]=4 3098 B13R0.188 CCCCCC(=O)CSCCC(C)C 62a_200012276598_100000210312 [0,0,0,0,0,1|2,0,1]=4 3099 B13R0.188 CCCCCC(=O)CSCCC(C)O 62a_100012276601_200012276598 [0,0,0,0,0,1|1,0,1]=3 3100 B13R0.188 CCCCCC(=O)CSCCC(C)O 62a_200012276598_100012276601 [0,0,0,0,0,1|1,0,1]=3 3101 B13R0.188 CCCCCC(=O)CSCCN(C)C 62a_200012276598_100000755713 [0,0,0,0,0,1|3,0,0]=4 3102 B13R0.188 CCCCCC(=O)CSCOC(=O)C 62a_100000076356_200012276598 [0,0,0,0,0,1|2,0,0]=3 3103 B13R0.188 CCCCCC(=O)CSCOC(=O)C 62a_200012276598_100000076356 [0,0,0,0,0,1|2,0,0]=3 3104 B13R0.188 CCCCCC(=O)NCCCC(=O)N 240690a_100000739312_100000212188 [0,0,0,0,0,1|1,0,0]=2 3105 B13R0.188 CCCCCC(=O)NCCCC(=O)N 527a_100000739312_100000212188 [0,0,0,0,0,1|1,0,0]=2 3106 B13R0.188 CCCCCC(=O)NCCCC(C)C 11a_200000737386_100000212188 [0,0,0,0,0,1|2,0,1]=4 3107 B13R0.188 CCCCCC(=O)NCCCC(C)C 1626a_200000737386_100000212188 [0,0,0,0,0,1|2,0,1]=4 3108 B13R0.188 CCCCCC(=O)NCCCC(C)C 240690a_200000737386_100000212188 [0,0,0,0,0,1|2,0,1]=4 3109 B13R0.188 CCCCCC(=O)NCCCC(C)C 527a_200000737386_100000212188 [0,0,0,0,0,1|2,0,1]=4 3110 B13R0.188 CCCCCC(=O)NCCCN(C)C 240690a_102531767803_100000212188 [0,0,0,0,0,1|3,0,0]=4 3111 B13R0.188 CCCCCC(=O)NCCCN(C)C 527a_102531767803_100000212188 [0,0,0,0,0,1|3,0,0]=4 3112 B13R0.188 CCCCCC(=O)NCCCS(=O)C 11a_200000753449_100000212188 [0,0,0,0,0,1|2,0,0]=3 3113 B13R0.188 CCCCCC(=O)NCCCS(=O)C 240690a_200000753449_100000212188 [0,0,0,0,0,1|2,0,0]=3 3114 B13R0.188 CCCCCC(=O)NCCCS(=O)C 527a_200000753449_100000212188 [0,0,0,0,0,1|2,0,0]=3 3115 B13R0.188 CCCCCC(=O)NCCNC(=O)C 240690a_100000209853_100000212188 [0,0,0,0,0,1|2,0,0]=3 3116 B13R0.188 CCCCCC(=O)NCCNC(=O)C 527a_100000209853_100000212188 [0,0,0,0,0,1|2,0,0]=3 3117 B13R0.188 CCCCCC(=O)NCCNC(=O)N 240690a_100020590234_100000212188 [0,0,0,0,0,1|2,0,0]=3 3118 B13R0.188 CCCCCC(=O)NCCNC(=O)N 527a_100020590234_100000212188 [0,0,0,0,0,1|2,0,0]=3 3119 B13R0.188 CCCCCC(=O)NCCOC(=O)C 11a_100000724843_100000212188 [0,0,0,0,0,1|2,0,0]=3 3120 B13R0.188 CCCCCC(=O)NCCOC(=O)C 240690a_100000724843_100000212188 [0,0,0,0,0,1|2,0,0]=3 3121 B13R0.188 CCCCCC(=O)NCCOC(=O)C 527a_100000724843_100000212188 [0,0,0,0,0,1|2,0,0]=3 3122 B13R0.188 CCCCCC(=O)NCCSC(=O)C 11a_100020647217_100000212188 [0,0,0,0,0,1|2,0,0]=3 3123 B13R0.188 CCCCCC(=O)NCCSC(=O)C 240690a_100020647217_100000212188 [0,0,0,0,0,1|2,0,0]=3 3124 B13R0.188 CCCCCC(=O)NCCSC(=O)C 527a_100020647217_100000212188 [0,0,0,0,0,1|2,0,0]=3 3125 B13R0.188 CCCCCC(C)NCCCC(=O)N 34a_100000739312_200011218191 [0,0,0,0,0,1|2,0,1]=4 3126 B13R0.188 CCCCCC(C)OCCCC(=O)C 34a_100000759063_200011218191 [0,0,0,0,0,1|2,0,1]=4 3127 B13R0.188 CCCCCC(C)OCCCC(=O)C 34a_100011215632_100000685027 [0,0,0,0,0,1|2,0,1]=4 3128 B13R0.188 CCCCCC(C)OCCCC(=O)C 7a_100000759063_200011218191 [0,0,0,0,0,1|2,0,1]=4 3129 B13R0.188 CCCCCC(C)OCCCC(=O)C 7a_100011215632_100011215641 [0,0,0,0,0,1|2,0,1]=4 3130 B13R0.188 CCCCCC(C)OCCCC(=O)N 34a_100011215632_100102525003 [0,0,0,0,0,1|2,0,1]=4 3131 B13R0.188 CCCCCC(C)OCCCC(=O)N 7a_100011215632_100102525003 [0,0,0,0,0,1|2,0,1]=4 3132 B13R0.188 CCCCCC(C)SCCCC(=O)C 62a_100011215641_200011218191 [0,0,0,0,0,1|2,0,1]=4 3133 B13R0.188 CCCCCC(C)SCCCC(=O)C 62a_200011218191_100011215641 [0,0,0,0,0,1|2,0,1]=4 3134 B13R0.188 CCCCCC(C)SCCCC(=O)N 62a_100102525003_200011218191 [0,0,0,0,0,1|2,0,1]=4 3135 B13R0.188 CCCCCC(C)SCCCC(=O)N 62a_200011218191_100102525003 [0,0,0,0,0,1|2,0,1]=4 3136 B13R0.188 CCCCCN(C)CCCCC(=O)C 269982a_100000223495_100000735457 [0,0,0,0,0,1|3,0,0]=4 3137 B13R0.188 CCCCCN(C)CCCOC(=O)C 269982a_100000223495_100000042594 [0,0,0,0,0,1|3,0,0]=4 3138 B13R0.188 CCCCCN(C)CCCSC(=O)C 2230a_100000223495_100000038929 [0,0,0,0,0,1|3,0,0]=4 3139 B13R0.188 CCCCCN(C)CCCSC(=O)C 269982a_100000223495_100000038929 [0,0,0,0,0,1|3,0,0]=4 3140 B13R0.188 CCCCCN(C)CCOCC(=O)N 2230a_100000223495_100000076697 [0,0,0,0,0,1|3,0,0]=4 3141 B13R0.188 CCCCCN(C)CCOCC(=O)N 269982a_100000223495_100000076697 [0,0,0,0,0,1|3,0,0]=4 3142 B13R0.188 CCCCNC(=O)CCCN=C(N)N 240690a_100000102301_100000034108 [0,0,0,0,0,1|3,0,0]=4 3143 B13R0.188 CCCCNC(=O)CCCNC(=O)C 11a_100000102301_100000194741 [0,0,0,0,0,1|2,0,0]=3 3144 B13R0.188 CCCCNC(=O)CCCNC(=O)C 1626a_100000102301_100000194741 [0,0,0,0,0,1|2,0,0]=3 3145 B13R0.188 CCCCNC(=O)CCCNC(=O)C 240690a_100000102301_100000194741 [0,0,0,0,0,1|2,0,0]=3 3146 B13R0.188 CCCCNC(=O)CCCNC(=O)C 527a_100000102301_100000194741 [0,0,0,0,0,1|2,0,0]=3 3147 B13R0.188 CCCCNC(=O)CCSCC(=O)N 11a_100000102301_100000148550 [0,0,0,0,0,1|2,0,0]=3 3148 B13R0.188 CCCCNC(=O)CCSCC(=O)N 240690a_100000102301_100000148550 [0,0,0,0,0,1|2,0,0]=3 3149 B13R0.188 CCCCNC(=O)CCSCC(=O)N 527a_100000102301_100000148550 [0,0,0,0,0,1|2,0,0]=3 3150 B13R0.188 CCCCNC(=O)CNCCC(C)O 2230a_200000755665_100000182744 [0,0,0,0,0,1|2,0,1]=4 3151 B13R0.188 CCCCNC(=O)CNOCC(=O)O 269956a_100000106656_100000182744 [0,0,0,0,0,1|2,0,0]=3 3152 B13R0.188 CCCCNC(=O)COCCC(=O)C 34a_100000759926_100000182744 [0,0,0,0,0,1|2,0,0]=3 3153 B13R0.188 CCCCNC(=O)COCCC(=O)C 7a_100000759926_100000182744 [0,0,0,0,0,1|2,0,0]=3 3154 B13R0.188 CCCCNC(=O)COCCC(=O)N 34a_100000757172_100000182744 [0,0,0,0,0,1|2,0,0]=3 3155 B13R0.188 CCCCNC(=O)COCCC(=O)N 7a_100000757172_100000182744 [0,0,0,0,0,1|2,0,0]=3 3156 B13R0.188 CCCCNC(=O)CSCCC(=O)C 62a_100000053229_100000182744 [0,0,0,0,0,1|2,0,0]=3 3157 B13R0.188 CCCCNC(=O)CSCCC(=O)C 62a_100000182744_100000053229 [0,0,0,0,0,1|2,0,0]=3 3158 B13R0.188 CCCCNC(=O)CSCCC(=O)N 62a_100000182744_100000744528 [0,0,0,0,0,1|2,0,0]=3 3159 B13R0.188 CCCCNC(=O)CSCCC(=O)N 62a_100000744528_100000182744 [0,0,0,0,0,1|2,0,0]=3 3160 B13R0.188 CCCCNC(=O)CSCCC(C)O 62a_100000182744_100012276601 [0,0,0,0,0,1|2,0,1]=4 3161 B13R0.188 CCCCNC(=O)CSCCC(C)O 62a_100012276601_100000182744 [0,0,0,0,0,1|2,0,1]=4 3162 B13R0.188 CCCCNC(=O)CSCOC(=O)C 62a_100000076356_100000182744 [0,0,0,0,0,1|3,0,0]=4 3163 B13R0.188 CCCCNC(=O)CSCOC(=O)C 62a_100000182744_100000076356 [0,0,0,0,0,1|3,0,0]=4 3164 B13R0.188 CCCCNC(=O)NCCCC(=O)N 273464a_100000102301_100000739312 [0,0,0,0,0,1|2,0,0]=3 3165 B13R0.188 CCCCNC(=O)NCCCC(=O)N 273464a_100000739312_100000102301 [0,0,0,0,0,1|2,0,0]=3 3166 B13R0.188 CCCCNC(=O)NCCCC(=O)N 512a_100000102301_100000739312 [0,0,0,0,0,1|2,0,0]=3 3167 B13R0.188 CCCCNC(=O)NCCCC(=O)N 512a_100000739312_100000102301 [0,0,0,0,0,1|2,0,0]=3 3168 B13R0.188 CCCCNC(=O)NCCCS(=O)C 2708a_100000102301_200000753449 [0,0,0,0,0,1|3,0,0]=4 3169 B13R0.188 CCCCNC(=O)NCCCS(=O)C 2708a_200000753449_100000102301 [0,0,0,0,0,1|3,0,0]=4 3170 B13R0.188 CCCCNC(=O)NCCCS(=O)C 273464a_100000102301_200000753449 [0,0,0,0,0,1|3,0,0]=4 3171 B13R0.188 CCCCNC(=O)NCCCS(=O)C 273464a_200000753449_100000102301 [0,0,0,0,0,1|3,0,0]=4 3172 B13R0.188 CCCCNC(=O)NCCCS(=O)C 512a_100000102301_200000753449 [0,0,0,0,0,1|3,0,0]=4 3173 B13R0.188 CCCCNC(=O)NCCCS(=O)C 512a_200000753449_100000102301 [0,0,0,0,0,1|3,0,0]=4 3174 B13R0.188 CCCCNC(=O)NCCNC(=O)C 2708a_100000102301_100000209853 [0,0,0,0,0,1|3,0,0]=4 3175 B13R0.188 CCCCNC(=O)NCCNC(=O)C 2708a_100000209853_100000102301 [0,0,0,0,0,1|3,0,0]=4 3176 B13R0.188 CCCCNC(=O)NCCNC(=O)C 273464a_100000102301_100000209853 [0,0,0,0,0,1|3,0,0]=4 3177 B13R0.188 CCCCNC(=O)NCCNC(=O)C 273464a_100000209853_100000102301 [0,0,0,0,0,1|3,0,0]=4 3178 B13R0.188 CCCCNC(=O)NCCNC(=O)C 512a_100000102301_100000209853 [0,0,0,0,0,1|3,0,0]=4 3179 B13R0.188 CCCCNC(=O)NCCNC(=O)C 512a_100000209853_100000102301 [0,0,0,0,0,1|3,0,0]=4 3180 B13R0.188 CCCCNC(=O)NCCNC(=O)N 2708a_100000102301_100020590234 [0,0,0,0,0,1|3,0,0]=4 3181 B13R0.188 CCCCNC(=O)NCCNC(=O)N 273464a_100000102301_100020590234 [0,0,0,0,0,1|3,0,0]=4 3182 B13R0.188 CCCCNC(=O)NCCNC(=O)N 273464a_100020590234_100000102301 [0,0,0,0,0,1|3,0,0]=4 3183 B13R0.188 CCCCNC(=O)NCCNC(=O)N 512a_100000102301_100020590234 [0,0,0,0,0,1|3,0,0]=4 3184 B13R0.188 CCCCNC(=O)NCCNC(=O)N 512a_100020590234_100000102301 [0,0,0,0,0,1|3,0,0]=4 3185 B13R0.188 CCCCNC(=O)NCCOC(=O)C 2708a_100000102301_100000724843 [0,0,0,0,0,1|3,0,0]=4 3186 B13R0.188 CCCCNC(=O)NCCOC(=O)C 273464a_100000102301_100000724843 [0,0,0,0,0,1|3,0,0]=4 3187 B13R0.188 CCCCNC(=O)NCCOC(=O)C 273464a_100000724843_100000102301 [0,0,0,0,0,1|3,0,0]=4 3188 B13R0.188 CCCCNC(=O)NCCOC(=O)C 512a_100000102301_100000724843 [0,0,0,0,0,1|3,0,0]=4 3189 B13R0.188 CCCCNC(=O)NCCOC(=O)C 512a_100000724843_100000102301 [0,0,0,0,0,1|3,0,0]=4 3190 B13R0.188 CCCCNC(=O)NCCSC(=O)C 2708a_100000102301_100020647217 [0,0,0,0,0,1|3,0,0]=4 3191 B13R0.188 CCCCNC(=O)NCCSC(=O)C 2708a_100020647217_100000102301 [0,0,0,0,0,1|3,0,0]=4 3192 B13R0.188 CCCCNC(=O)NCCSC(=O)C 273464a_100000102301_100020647217 [0,0,0,0,0,1|3,0,0]=4 3193 B13R0.188 CCCCNC(=O)NCCSC(=O)C 273464a_100020647217_100000102301 [0,0,0,0,0,1|3,0,0]=4 3194 B13R0.188 CCCCNC(=O)NCCSC(=O)C 512a_100000102301_100020647217 [0,0,0,0,0,1|3,0,0]=4 3195 B13R0.188 CCCCNC(=O)NCCSC(=O)C 512a_100020647217_100000102301 [0,0,0,0,0,1|3,0,0]=4 3196 B13R0.188 CCCCOC(=O)CNCCC(C)O 2230a_200000755665_100000211628 [0,0,0,0,0,1|2,0,1]=4 3197 B13R0.188 CCCCOC(=O)CNOCC(=O)O 269956a_100000106656_100000211628 [0,0,0,0,0,1|2,0,0]=3 3198 B13R0.188 CCCCOC(=O)COCCC(=O)C 34a_100000759926_100000211628 [0,0,0,0,0,1|2,0,0]=3 3199 B13R0.188 CCCCOC(=O)COCCC(=O)C 7a_100000759926_100000211628 [0,0,0,0,0,1|2,0,0]=3 3200 B13R0.188 CCCCOC(=O)COCCC(=O)N 34a_100000757172_100000211628 [0,0,0,0,0,1|2,0,0]=3 3201 B13R0.188 CCCCOC(=O)COCCC(=O)N 7a_100000757172_100000211628 [0,0,0,0,0,1|2,0,0]=3 3202 B13R0.188 CCCCOC(=O)CSCCC(=O)C 62a_100000053229_100000211628 [0,0,0,0,0,1|2,0,0]=3 3203 B13R0.188 CCCCOC(=O)CSCCC(=O)C 62a_100000211628_100000053229 [0,0,0,0,0,1|2,0,0]=3 3204 B13R0.188 CCCCOC(=O)CSCCC(=O)N 62a_100000211628_100000744528 [0,0,0,0,0,1|2,0,0]=3 3205 B13R0.188 CCCCOC(=O)CSCCC(=O)N 62a_100000744528_100000211628 [0,0,0,0,0,1|2,0,0]=3 3206 B13R0.188 CCCCOC(=O)CSCCC(C)O 62a_100000211628_100012276601 [0,0,0,0,0,1|2,0,1]=4 3207 B13R0.188 CCCCOC(=O)CSCCC(C)O 62a_100012276601_100000211628 [0,0,0,0,0,1|2,0,1]=4 3208 B13R0.188 CCCCOC(=O)CSCOC(=O)C 62a_100000076356_100000211628 [0,0,0,0,0,1|3,0,0]=4 3209 B13R0.188 CCCCOC(=O)CSCOC(=O)C 62a_100000211628_100000076356 [0,0,0,0,0,1|3,0,0]=4 3210 B13R0.188 CCCNNC(=O)CCCNC(=O)C 22a_100000740057_100000194741 [0,0,0,0,0,1|3,0,0]=4 3211 B13R0.188 CCCNNC(=O)CCSCC(=O)N 22a_100000740057_100000148550 [0,0,0,0,0,1|3,0,0]=4 3212 B13R0.188 CCCNNC(=O)NCCCC(=O)N 273464a_100000739312_100000740057 [0,0,0,0,0,1|3,0,0]=4 3213 B13R0.188 CCCNNC(=O)NCCCC(=O)N 512a_100000739312_100000740057 [0,0,0,0,0,1|3,0,0]=4 3214 B13R0.188 CCCNNC(=O)NCCCC(=O)N 512a_100000740057_100000739312 [0,0,0,0,0,1|3,0,0]=4 3215 B13R0.188 CCCOCC(=O)CCCCB(O)O 1458a_100000745993_200009817182 [0,0,0,0,0,1|2,0,1]=4 3216 B13R0.188 CCCOCC(=O)CCCCC(=O)C 1458a_100000745993_100000735457 [0,0,0,0,0,1|2,0,0]=3 3217 B13R0.188 CCCOCC(=O)CCCOC(=O)C 1458a_100000745993_100000042594 [0,0,0,0,0,1|2,0,0]=3 3218 B13R0.188 CCCOCC(=O)CCCOC(=S)C 1458a_100000745993_200135323944 [0,0,0,0,0,1|2,1,0]=4 3219 B13R0.188 CCCOCC(=O)CCCSC(=O)C 1458a_100000745993_100000038929 [0,0,0,0,0,1|2,0,0]=3 3220 B13R0.188 CCCOCC(=O)CCOCC(=O)N 1458a_100000745993_100000076697 [0,0,0,0,0,1|2,0,0]=3 3221 B13R0.188 CCCOCC(=O)NCCCC(=O)N 240690a_100000739312_100000745993 [0,0,0,0,0,1|2,0,0]=3 3222 B13R0.188 CCCOCC(=O)NCCCC(=O)N 527a_100000739312_100000745993 [0,0,0,0,0,1|2,0,0]=3 3223 B13R0.188 CCCOCC(=O)NCCCS(=O)C 11a_200000753449_100000745993 [0,0,0,0,0,1|3,0,0]=4 3224 B13R0.188 CCCOCC(=O)NCCCS(=O)C 240690a_200000753449_100000745993 [0,0,0,0,0,1|3,0,0]=4 3225 B13R0.188 CCCOCC(=O)NCCCS(=O)C 527a_200000753449_100000745993 [0,0,0,0,0,1|3,0,0]=4 3226 B13R0.188 CCCOCC(=O)NCCNC(=O)C 240690a_100000209853_100000745993 [0,0,0,0,0,1|3,0,0]=4 3227 B13R0.188 CCCOCC(=O)NCCNC(=O)C 527a_100000209853_100000745993 [0,0,0,0,0,1|3,0,0]=4 3228 B13R0.188 CCCOCC(=O)NCCNC(=O)N 240690a_100020590234_100000745993 [0,0,0,0,0,1|3,0,0]=4 3229 B13R0.188 CCCOCC(=O)NCCNC(=O)N 527a_100020590234_100000745993 [0,0,0,0,0,1|3,0,0]=4 3230 B13R0.188 CCCOCC(=O)NCCOC(=O)C 11a_100000724843_100000745993 [0,0,0,0,0,1|3,0,0]=4 3231 B13R0.188 CCCOCC(=O)NCCOC(=O)C 240690a_100000724843_100000745993 [0,0,0,0,0,1|3,0,0]=4 3232 B13R0.188 CCCOCC(=O)NCCOC(=O)C 527a_100000724843_100000745993 [0,0,0,0,0,1|3,0,0]=4 3233 B13R0.188 CCCOCC(=O)NCCSC(=O)C 11a_100020647217_100000745993 [0,0,0,0,0,1|3,0,0]=4 3234 B13R0.188 CCCOCC(=O)NCCSC(=O)C 240690a_100020647217_100000745993 [0,0,0,0,0,1|3,0,0]=4 3235 B13R0.188 CCCOCC(=O)NCCSC(=O)C 527a_100020647217_100000745993 [0,0,0,0,0,1|3,0,0]=4 3236 B13R0.188 CCCSCC(=O)CCCCB(O)O 1458a_100000217233_200009817182 [0,0,0,0,0,1|2,0,1]=4 3237 B13R0.188 CCCSCC(=O)CCCCC(=O)C 1458a_100000217233_100000735457 [0,0,0,0,0,1|2,0,0]=3 3238 B13R0.188 CCCSCC(=O)CCCOC(=O)C 1458a_100000217233_100000042594 [0,0,0,0,0,1|2,0,0]=3 3239 B13R0.188 CCCSCC(=O)CCCOC(=S)C 1458a_100000217233_200135323944 [0,0,0,0,0,1|2,1,0]=4 3240 B13R0.188 CCCSCC(=O)CCCSC(=O)C 1458a_100000217233_100000038929 [0,0,0,0,0,1|2,0,0]=3 3241 B13R0.188 CCCSCC(=O)CCOCC(=O)N 1458a_100000217233_100000076697 [0,0,0,0,0,1|2,0,0]=3 3242 B13R0.188 CCCSCC(=O)NCCCC(=O)N 240690a_100000739312_100000217233 [0,0,0,0,0,1|2,0,0]=3 3243 B13R0.188 CCCSCC(=O)NCCCC(=O)N 527a_100000739312_100000217233 [0,0,0,0,0,1|2,0,0]=3 3244 B13R0.188 CCCSCC(=O)NCCCS(=O)C 11a_200000753449_100000217233 [0,0,0,0,0,1|3,0,0]=4 3245 B13R0.188 CCCSCC(=O)NCCCS(=O)C 240690a_200000753449_100000217233 [0,0,0,0,0,1|3,0,0]=4 3246 B13R0.188 CCCSCC(=O)NCCCS(=O)C 527a_200000753449_100000217233 [0,0,0,0,0,1|3,0,0]=4 3247 B13R0.188 CCCSCC(=O)NCCNC(=O)C 240690a_100000209853_100000217233 [0,0,0,0,0,1|3,0,0]=4 3248 B13R0.188 CCCSCC(=O)NCCNC(=O)C 527a_100000209853_100000217233 [0,0,0,0,0,1|3,0,0]=4 3249 B13R0.188 CCCSCC(=O)NCCNC(=O)N 240690a_100020590234_100000217233 [0,0,0,0,0,1|3,0,0]=4 3250 B13R0.188 CCCSCC(=O)NCCNC(=O)N 527a_100020590234_100000217233 [0,0,0,0,0,1|3,0,0]=4 3251 B13R0.188 CCCSCC(=O)NCCOC(=O)C 11a_100000724843_100000217233 [0,0,0,0,0,1|3,0,0]=4 3252 B13R0.188 CCCSCC(=O)NCCOC(=O)C 240690a_100000724843_100000217233 [0,0,0,0,0,1|3,0,0]=4 3253 B13R0.188 CCCSCC(=O)NCCOC(=O)C 527a_100000724843_100000217233 [0,0,0,0,0,1|3,0,0]=4 3254 B13R0.188 CCCSCC(=O)NCCSC(=O)C 11a_100020647217_100000217233 [0,0,0,0,0,1|3,0,0]=4 3255 B13R0.188 CCCSCC(=O)NCCSC(=O)C 240690a_100020647217_100000217233 [0,0,0,0,0,1|3,0,0]=4 3256 B13R0.188 CCCSCC(=O)NCCSC(=O)C 527a_100020647217_100000217233 [0,0,0,0,0,1|3,0,0]=4 3257 B13R0.188 CCOCCC(=O)CCCCB(O)O 1458a_100000749530_200009817182 [0,0,0,0,0,1|2,0,1]=4 3258 B13R0.188 CCOCCC(=O)CCCCC(=O)C 1458a_100000749530_100000735457 [0,0,0,0,0,1|2,0,0]=3 3259 B13R0.188 CCOCCC(=O)CCCN=C(N)N 1458a_100000034108_100011215890 [0,0,0,0,0,1|3,0,0]=4 3260 B13R0.188 CCOCCC(=O)CCCNC(=O)C 1458a_100000194741_100011215890 [0,0,0,0,0,1|2,0,0]=3 3261 B13R0.188 CCOCCC(=O)CCCOC(=O)C 1458a_100000749530_100000042594 [0,0,0,0,0,1|2,0,0]=3 3262 B13R0.188 CCOCCC(=O)CCCOC(=S)C 1458a_100000749530_200135323944 [0,0,0,0,0,1|2,1,0]=4 3263 B13R0.188 CCOCCC(=O)CCCSC(=O)C 1458a_100000749530_100000038929 [0,0,0,0,0,1|2,0,0]=3 3264 B13R0.188 CCOCCC(=O)CCOCC(=O)N 1458a_100000749530_100000076697 [0,0,0,0,0,1|2,0,0]=3 3265 B13R0.188 CCOCCC(=O)CCSCC(=O)N 1458a_100000148550_100011215890 [0,0,0,0,0,1|2,0,0]=3 3266 B13R0.188 CCOCCC(=O)NCCCC(=O)N 240690a_100000739312_100000749530 [0,0,0,0,0,1|2,0,0]=3 3267 B13R0.188 CCOCCC(=O)NCCCC(=O)N 527a_100000739312_100000749530 [0,0,0,0,0,1|2,0,0]=3 3268 B13R0.188 CCOCCC(=O)NCCCS(=O)C 11a_200000753449_100000749530 [0,0,0,0,0,1|3,0,0]=4 3269 B13R0.188 CCOCCC(=O)NCCCS(=O)C 240690a_200000753449_100000749530 [0,0,0,0,0,1|3,0,0]=4 3270 B13R0.188 CCOCCC(=O)NCCCS(=O)C 527a_200000753449_100000749530 [0,0,0,0,0,1|3,0,0]=4 3271 B13R0.188 CCOCCC(=O)NCCNC(=O)C 240690a_100000209853_100000749530 [0,0,0,0,0,1|3,0,0]=4 3272 B13R0.188 CCOCCC(=O)NCCNC(=O)C 527a_100000209853_100000749530 [0,0,0,0,0,1|3,0,0]=4 3273 B13R0.188 CCOCCC(=O)NCCNC(=O)N 240690a_100020590234_100000749530 [0,0,0,0,0,1|3,0,0]=4 3274 B13R0.188 CCOCCC(=O)NCCNC(=O)N 527a_100020590234_100000749530 [0,0,0,0,0,1|3,0,0]=4 3275 B13R0.188 CCOCCC(=O)NCCOC(=O)C 11a_100000724843_100000749530 [0,0,0,0,0,1|3,0,0]=4 3276 B13R0.188 CCOCCC(=O)NCCOC(=O)C 240690a_100000724843_100000749530 [0,0,0,0,0,1|3,0,0]=4 3277 B13R0.188 CCOCCC(=O)NCCOC(=O)C 527a_100000724843_100000749530 [0,0,0,0,0,1|3,0,0]=4 3278 B13R0.188 CCOCCC(=O)NCCSC(=O)C 11a_100020647217_100000749530 [0,0,0,0,0,1|3,0,0]=4 3279 B13R0.188 CCOCCC(=O)NCCSC(=O)C 240690a_100020647217_100000749530 [0,0,0,0,0,1|3,0,0]=4 3280 B13R0.188 CCOCCC(=O)NCCSC(=O)C 527a_100020647217_100000749530 [0,0,0,0,0,1|3,0,0]=4 3281 B13R0.188 CCSCCC(=O)CCCCB(O)O 1458a_100000230768_200009817182 [0,0,0,0,0,1|2,0,1]=4 3282 B13R0.188 CCSCCC(=O)CCCCC(=O)C 1458a_100000230768_100000735457 [0,0,0,0,0,1|2,0,0]=3 3283 B13R0.188 CCSCCC(=O)CCCN=C(N)N 1458a_100000034108_100000757381 [0,0,0,0,0,1|3,0,0]=4 3284 B13R0.188 CCSCCC(=O)CCCNC(=O)C 1458a_100000194741_100000757381 [0,0,0,0,0,1|2,0,0]=3 3285 B13R0.188 CCSCCC(=O)CCCOC(=O)C 1458a_100000230768_100000042594 [0,0,0,0,0,1|2,0,0]=3 3286 B13R0.188 CCSCCC(=O)CCCOC(=S)C 1458a_100000230768_200135323944 [0,0,0,0,0,1|2,1,0]=4 3287 B13R0.188 CCSCCC(=O)CCCSC(=O)C 1458a_100000230768_100000038929 [0,0,0,0,0,1|2,0,0]=3 3288 B13R0.188 CCSCCC(=O)CCOCC(=O)N 1458a_100000230768_100000076697 [0,0,0,0,0,1|2,0,0]=3 3289 B13R0.188 CCSCCC(=O)CCSCC(=O)N 1458a_100000148550_100000757381 [0,0,0,0,0,1|2,0,0]=3 3290 B13R0.188 CCSCCC(=O)NCCCC(=O)N 240690a_100000739312_100000230768 [0,0,0,0,0,1|2,0,0]=3 3291 B13R0.188 CCSCCC(=O)NCCCC(=O)N 527a_100000739312_100000230768 [0,0,0,0,0,1|2,0,0]=3 3292 B13R0.188 CCSCCC(=O)NCCCS(=O)C 11a_200000753449_100000230768 [0,0,0,0,0,1|3,0,0]=4 3293 B13R0.188 CCSCCC(=O)NCCCS(=O)C 240690a_200000753449_100000230768 [0,0,0,0,0,1|3,0,0]=4 3294 B13R0.188 CCSCCC(=O)NCCCS(=O)C 527a_200000753449_100000230768 [0,0,0,0,0,1|3,0,0]=4 3295 B13R0.188 CCSCCC(=O)NCCNC(=O)C 240690a_100000209853_100000230768 [0,0,0,0,0,1|3,0,0]=4 3296 B13R0.188 CCSCCC(=O)NCCNC(=O)C 527a_100000209853_100000230768 [0,0,0,0,0,1|3,0,0]=4 3297 B13R0.188 CCSCCC(=O)NCCNC(=O)N 240690a_100020590234_100000230768 [0,0,0,0,0,1|3,0,0]=4 3298 B13R0.188 CCSCCC(=O)NCCNC(=O)N 527a_100020590234_100000230768 [0,0,0,0,0,1|3,0,0]=4 3299 B13R0.188 CCSCCC(=O)NCCOC(=O)C 11a_100000724843_100000230768 [0,0,0,0,0,1|3,0,0]=4 3300 B13R0.188 CCSCCC(=O)NCCOC(=O)C 240690a_100000724843_100000230768 [0,0,0,0,0,1|3,0,0]=4 3301 B13R0.188 CCSCCC(=O)NCCOC(=O)C 527a_100000724843_100000230768 [0,0,0,0,0,1|3,0,0]=4 3302 B13R0.188 CCSCCC(=O)NCCSC(=O)C 11a_100020647217_100000230768 [0,0,0,0,0,1|3,0,0]=4 3303 B13R0.188 CCSCCC(=O)NCCSC(=O)C 240690a_100020647217_100000230768 [0,0,0,0,0,1|3,0,0]=4 3304 B13R0.188 CCSCCC(=O)NCCSC(=O)C 527a_100020647217_100000230768 [0,0,0,0,0,1|3,0,0]=4 3305 B13R0.188 COCCCC(=O)CCCCB(O)O 1458a_100000741012_200009817182 [0,0,0,0,0,1|2,0,1]=4 3306 B13R0.188 COCCCC(=O)CCCCC(=O)C 1458a_100000741012_100000735457 [0,0,0,0,0,1|2,0,0]=3 3307 B13R0.188 COCCCC(=O)CCCN=C(N)N 1458a_100000034108_100000740836 [0,0,0,0,0,1|3,0,0]=4 3308 B13R0.188 COCCCC(=O)CCCNC(=O)C 1458a_100000194741_100000740836 [0,0,0,0,0,1|2,0,0]=3 3309 B13R0.188 COCCCC(=O)CCCOC(=O)C 1458a_100000741012_100000042594 [0,0,0,0,0,1|2,0,0]=3 3310 B13R0.188 COCCCC(=O)CCCOC(=S)C 1458a_100000741012_200135323944 [0,0,0,0,0,1|2,1,0]=4 3311 B13R0.188 COCCCC(=O)CCCSC(=O)C 1458a_100000741012_100000038929 [0,0,0,0,0,1|2,0,0]=3 3312 B13R0.188 COCCCC(=O)CCOCC(=O)N 1458a_100000741012_100000076697 [0,0,0,0,0,1|2,0,0]=3 3313 B13R0.188 COCCCC(=O)CCSCC(=O)N 1458a_100000148550_100000740836 [0,0,0,0,0,1|2,0,0]=3 3314 B13R0.188 COCCCC(=O)NCCCC(=O)N 240690a_100000739312_100000741012 [0,0,0,0,0,1|2,0,0]=3 3315 B13R0.188 COCCCC(=O)NCCCC(=O)N 527a_100000739312_100000741012 [0,0,0,0,0,1|2,0,0]=3 3316 B13R0.188 COCCCC(=O)NCCCS(=O)C 11a_200000753449_100000741012 [0,0,0,0,0,1|3,0,0]=4 3317 B13R0.188 COCCCC(=O)NCCCS(=O)C 240690a_200000753449_100000741012 [0,0,0,0,0,1|3,0,0]=4 3318 B13R0.188 COCCCC(=O)NCCCS(=O)C 527a_200000753449_100000741012 [0,0,0,0,0,1|3,0,0]=4 3319 B13R0.188 COCCCC(=O)NCCNC(=O)C 240690a_100000209853_100000741012 [0,0,0,0,0,1|3,0,0]=4 3320 B13R0.188 COCCCC(=O)NCCNC(=O)C 527a_100000209853_100000741012 [0,0,0,0,0,1|3,0,0]=4 3321 B13R0.188 COCCCC(=O)NCCNC(=O)N 240690a_100020590234_100000741012 [0,0,0,0,0,1|3,0,0]=4 3322 B13R0.188 COCCCC(=O)NCCNC(=O)N 527a_100020590234_100000741012 [0,0,0,0,0,1|3,0,0]=4 3323 B13R0.188 COCCCC(=O)NCCOC(=O)C 11a_100000724843_100000741012 [0,0,0,0,0,1|3,0,0]=4 3324 B13R0.188 COCCCC(=O)NCCOC(=O)C 240690a_100000724843_100000741012 [0,0,0,0,0,1|3,0,0]=4 3325 B13R0.188 COCCCC(=O)NCCOC(=O)C 527a_100000724843_100000741012 [0,0,0,0,0,1|3,0,0]=4 3326 B13R0.188 COCCCC(=O)NCCSC(=O)C 11a_100020647217_100000741012 [0,0,0,0,0,1|3,0,0]=4 3327 B13R0.188 COCCCC(=O)NCCSC(=O)C 240690a_100020647217_100000741012 [0,0,0,0,0,1|3,0,0]=4 3328 B13R0.188 COCCCC(=O)NCCSC(=O)C 527a_100020647217_100000741012 [0,0,0,0,0,1|3,0,0]=4 3329 B13R0.188 COCCNC(=O)CCCNC(=O)C 1626a_100000209980_100000194741 [0,0,0,0,0,1|3,0,0]=4 3330 B13R0.188 COCCNC(=O)CCCNC(=O)C 240690a_100000209980_100000194741 [0,0,0,0,0,1|3,0,0]=4 3331 B13R0.188 COCCNC(=O)CCCNC(=O)C 527a_100000209980_100000194741 [0,0,0,0,0,1|3,0,0]=4 3332 B13R0.188 COCCNC(=O)CCSCC(=O)N 240690a_100000209980_100000148550 [0,0,0,0,0,1|3,0,0]=4 3333 B13R0.188 COCCNC(=O)CCSCC(=O)N 527a_100000209980_100000148550 [0,0,0,0,0,1|3,0,0]=4 3334 B13R0.188 COCCNC(=O)CNCCC(=O)N 2230a_100000754632_100000744528 [0,0,0,0,0,1|3,0,0]=4 3335 B13R0.188 COCCNC(=O)CNOCC(=O)O 269956a_100000106656_100000183275 [0,0,0,0,0,1|3,0,0]=4 3336 B13R0.188 COCCNC(=O)COCCC(=O)C 34a_100000759926_100000183275 [0,0,0,0,0,1|3,0,0]=4 3337 B13R0.188 COCCNC(=O)COCCC(=O)C 7a_100000759926_100000183275 [0,0,0,0,0,1|3,0,0]=4 3338 B13R0.188 COCCNC(=O)COCCC(=O)N 34a_100000757172_100000183275 [0,0,0,0,0,1|3,0,0]=4 3339 B13R0.188 COCCNC(=O)COCCC(=O)N 7a_100000757172_100000183275 [0,0,0,0,0,1|3,0,0]=4 3340 B13R0.188 COCCNC(=O)CSCCC(=O)C 62a_100000053229_100000183275 [0,0,0,0,0,1|3,0,0]=4 3341 B13R0.188 COCCNC(=O)CSCCC(=O)C 62a_100000183275_100000053229 [0,0,0,0,0,1|3,0,0]=4 3342 B13R0.188 COCCNC(=O)CSCCC(=O)N 62a_100000183275_100000744528 [0,0,0,0,0,1|3,0,0]=4 3343 B13R0.188 COCCNC(=O)CSCCC(=O)N 62a_100000744528_100000183275 [0,0,0,0,0,1|3,0,0]=4 3344 B13R0.188 COCCNC(=O)NCCCC(=O)N 273464a_100000209980_100000739312 [0,0,0,0,0,1|3,0,0]=4 3345 B13R0.188 COCCNC(=O)NCCCC(=O)N 273464a_100000739312_100000209980 [0,0,0,0,0,1|3,0,0]=4 3346 B13R0.188 COCCOC(=O)CNOCC(=O)O 269956a_100000106656_200000040189 [0,0,0,0,0,1|3,0,0]=4 3347 B13R0.188 COCCOC(=O)COCCC(=O)C 34a_100000759926_200000040189 [0,0,0,0,0,1|3,0,0]=4 3348 B13R0.188 COCCOC(=O)COCCC(=O)C 7a_100000759926_200000040189 [0,0,0,0,0,1|3,0,0]=4 3349 B13R0.188 COCCOC(=O)COCCC(=O)N 34a_100000757172_200000040189 [0,0,0,0,0,1|3,0,0]=4 3350 B13R0.188 COCCOC(=O)COCCC(=O)N 7a_100000757172_200000040189 [0,0,0,0,0,1|3,0,0]=4 3351 B13R0.188 COCCOC(=O)CSCCC(=O)C 62a_100000053229_200000040189 [0,0,0,0,0,1|3,0,0]=4 3352 B13R0.188 COCCOC(=O)CSCCC(=O)C 62a_200000040189_100000053229 [0,0,0,0,0,1|3,0,0]=4 3353 B13R0.188 COCCOC(=O)CSCCC(=O)N 62a_100000744528_200000040189 [0,0,0,0,0,1|3,0,0]=4 3354 B13R0.188 COCCOC(=O)CSCCC(=O)N 62a_200000040189_100000744528 [0,0,0,0,0,1|3,0,0]=4 3355 B13R0.188 CSCCCC(=O)CCCCB(O)O 1458a_100000173376_200009817182 [0,0,0,0,0,1|2,0,1]=4 3356 B13R0.188 CSCCCC(=O)CCCCC(=O)C 1458a_100000173376_100000735457 [0,0,0,0,0,1|2,0,0]=3 3357 B13R0.188 CSCCCC(=O)CCCOC(=O)C 1458a_100000173376_100000042594 [0,0,0,0,0,1|2,0,0]=3 3358 B13R0.188 CSCCCC(=O)CCCOC(=S)C 1458a_100000173376_200135323944 [0,0,0,0,0,1|2,1,0]=4 3359 B13R0.188 CSCCCC(=O)CCCSC(=O)C 1458a_100000173376_100000038929 [0,0,0,0,0,1|2,0,0]=3 3360 B13R0.188 CSCCCC(=O)CCOCC(=O)N 1458a_100000173376_100000076697 [0,0,0,0,0,1|2,0,0]=3 3361 B13R0.188 CSCCCC(=O)NCCCC(=O)N 240690a_100000739312_100000173376 [0,0,0,0,0,1|2,0,0]=3 3362 B13R0.188 CSCCCC(=O)NCCCC(=O)N 527a_100000739312_100000173376 [0,0,0,0,0,1|2,0,0]=3 3363 B13R0.188 CSCCCC(=O)NCCCS(=O)C 11a_200000753449_100000173376 [0,0,0,0,0,1|3,0,0]=4 3364 B13R0.188 CSCCCC(=O)NCCCS(=O)C 240690a_200000753449_100000173376 [0,0,0,0,0,1|3,0,0]=4 3365 B13R0.188 CSCCCC(=O)NCCCS(=O)C 527a_200000753449_100000173376 [0,0,0,0,0,1|3,0,0]=4 3366 B13R0.188 CSCCCC(=O)NCCNC(=O)C 240690a_100000209853_100000173376 [0,0,0,0,0,1|3,0,0]=4 3367 B13R0.188 CSCCCC(=O)NCCNC(=O)C 527a_100000209853_100000173376 [0,0,0,0,0,1|3,0,0]=4 3368 B13R0.188 CSCCCC(=O)NCCNC(=O)N 240690a_100020590234_100000173376 [0,0,0,0,0,1|3,0,0]=4 3369 B13R0.188 CSCCCC(=O)NCCNC(=O)N 527a_100020590234_100000173376 [0,0,0,0,0,1|3,0,0]=4 3370 B13R0.188 CSCCCC(=O)NCCOC(=O)C 11a_100000724843_100000173376 [0,0,0,0,0,1|3,0,0]=4 3371 B13R0.188 CSCCCC(=O)NCCOC(=O)C 240690a_100000724843_100000173376 [0,0,0,0,0,1|3,0,0]=4 3372 B13R0.188 CSCCCC(=O)NCCOC(=O)C 527a_100000724843_100000173376 [0,0,0,0,0,1|3,0,0]=4 3373 B13R0.188 CSCCCC(=O)NCCSC(=O)C 11a_100020647217_100000173376 [0,0,0,0,0,1|3,0,0]=4 3374 B13R0.188 CSCCCC(=O)NCCSC(=O)C 240690a_100020647217_100000173376 [0,0,0,0,0,1|3,0,0]=4 3375 B13R0.188 CSCCCC(=O)NCCSC(=O)C 527a_100020647217_100000173376 [0,0,0,0,0,1|3,0,0]=4 3376 B13R0.188 CSCCNC(=O)CCCNC(=O)C 11a_100020590264_100000194741 [0,0,0,0,0,1|3,0,0]=4 3377 B13R0.188 CSCCNC(=O)CCCNC(=O)C 1626a_100020590264_100000194741 [0,0,0,0,0,1|3,0,0]=4 3378 B13R0.188 CSCCNC(=O)CCCNC(=O)C 240690a_100020590264_100000194741 [0,0,0,0,0,1|3,0,0]=4 3379 B13R0.188 CSCCNC(=O)CCCNC(=O)C 527a_100020590264_100000194741 [0,0,0,0,0,1|3,0,0]=4 3380 B13R0.188 CSCCNC(=O)CCSCC(=O)N 11a_100020590264_100000148550 [0,0,0,0,0,1|3,0,0]=4 3381 B13R0.188 CSCCNC(=O)CCSCC(=O)N 240690a_100020590264_100000148550 [0,0,0,0,0,1|3,0,0]=4 3382 B13R0.188 CSCCNC(=O)CCSCC(=O)N 527a_100020590264_100000148550 [0,0,0,0,0,1|3,0,0]=4 3383 B13R0.188 CSCCNC(=O)NCCCC(=O)N 273464a_100000739312_100020590264 [0,0,0,0,0,1|3,0,0]=4 3384 B13R0.188 CSCCNC(=O)NCCCC(=O)N 273464a_100020590264_100000739312 [0,0,0,0,0,1|3,0,0]=4 3385 B13R0.188 CSCCNC(=O)NCCCC(=O)N 512a_100000739312_100020590264 [0,0,0,0,0,1|3,0,0]=4 3386 B13R0.188 CSCCNC(=O)NCCCC(=O)N 512a_100020590264_100000739312 [0,0,0,0,0,1|3,0,0]=4 3387 B13R0.188 N#CCCCC(=O)CCOCC(=O)N 1458a_100000075515_100000076697 [0,0,0,0,0,1|2,0,1]=4 3388 B13R0.188 N#CCCCC(=O)CCSCC(=O)N 1458a_100000148550_100000211468 [0,0,0,0,0,1|2,0,1]=4 3389 B13R0.188 N#CCCCC(=O)NCCCC(=O)N 240690a_100000739312_100000075515 [0,0,0,0,0,1|2,0,1]=4 3390 B13R0.188 N#CCCCC(=O)NCCCC(=O)N 527a_100000739312_100000075515 [0,0,0,0,0,1|2,0,1]=4 3391 B13R0.188 NC(=NCCCC(=O)CCCCF)N 1458a_100000034108_100000729493 [0,0,0,0,0,1|3,0,0]=4 3392 B13R0.188 NC(=NCCCC(=O)CCCCO)N 1458a_100000034108_100000210776 [0,0,0,0,0,1|3,0,0]=4 3393 B13R0.188 NC(=O)CCCNC(=O)COCCO 240690a_100000739312_100000708028 [0,0,0,0,0,1|3,0,0]=4 3394 B13R0.188 NC(=O)CCCNC(=O)NCCCF 273464a_100000739312_100015189416 [0,0,0,0,0,1|3,0,0]=4 3395 B13R0.188 NC(=O)CCCNC(=O)NCCCF 273464a_100015189416_100000739312 [0,0,0,0,0,1|3,0,0]=4 3396 B13R0.188 NC(=O)CCCNC(=O)NCCCF 512a_100000739312_100015189416 [0,0,0,0,0,1|3,0,0]=4 3397 B13R0.188 NC(=O)CCCNC(=O)NCCCF 512a_100015189416_100000739312 [0,0,0,0,0,1|3,0,0]=4 3398 B13R0.188 NC(=O)CCCNC(=O)NCCCO 273464a_100000182051_100000739312 [0,0,0,0,0,1|3,0,0]=4 3399 B13R0.188 NC(=O)CCCNC(=O)NCCCO 273464a_100000739312_100000182051 [0,0,0,0,0,1|3,0,0]=4 3400 B13R0.188 NC(=O)CCCNC(=O)NCCCO 512a_100000739312_100000182051 [0,0,0,0,0,1|3,0,0]=4 3401 B13R0.188 NC(=O)COCCC(=O)CCCCO 1458a_100000695505_100000076697 [0,0,0,0,0,1|2,0,0]=3 3402 B13R0.188 NC(=O)COCCC(=O)COCCO 1458a_100000708028_100000076697 [0,0,0,0,0,1|3,0,0]=4 3403 B13R0.188 NC(=O)CSCCC(=O)CCCCF 1458a_100000148550_100000729493 [0,0,0,0,0,1|2,0,0]=3 3404 B13R0.188 NC(=O)CSCCC(=O)CCCCO 1458a_100000148550_100000210776 [0,0,0,0,0,1|2,0,0]=3 3405 B13R0.188 NC(=O)CSCCC(=O)NCCCF 11a_100015189416_100000148550 [0,0,0,0,0,1|3,0,0]=4 3406 B13R0.188 NC(=O)CSCCC(=O)NCCCF 240690a_100015189416_100000148550 [0,0,0,0,0,1|3,0,0]=4 3407 B13R0.188 NC(=O)CSCCC(=O)NCCCF 527a_100015189416_100000148550 [0,0,0,0,0,1|3,0,0]=4 3408 B13R0.188 NC(=O)CSCCC(=O)NCCCO 240690a_100000182051_100000148550 [0,0,0,0,0,1|3,0,0]=4 3409 B13R0.188 NC(=O)CSCCC(=O)NCCCO 527a_100000182051_100000148550 [0,0,0,0,0,1|3,0,0]=4 3410 B13R0.188 O=C(CCCCO)CCCCB(O)O 1458a_100000695505_200009817182 [0,0,0,0,0,1|2,0,1]=4 3411 B10R0.71 C=CCCCNCCCCC 2230a_100000209983_100011713584 [2,0,0,0,0,0|2,0,0]=4 3412 B10R0.71 C=CCCCNCCCCC 2230a_100000700776_100000210326 [2,0,0,0,0,0|2,0,0]=4 3413 B10R0.71 C=CCCCNCCCCC 34a_100000700776_100000718602 [2,0,0,0,0,0|2,0,0]=4 3414 B10R0.71 C=CCCCOCCCCC 34a_100000210253_100000757094 [2,0,0,0,0,0|2,0,0]=4 3415 B10R0.71 C=CCCCOCCCCC 34a_100000758997_100000718602 [2,0,0,0,0,0|2,0,0]=4 3416 B10R0.71 C=CCCCOCCCCC 7a_100000210253_100000757094 [2,0,0,0,0,0|2,0,0]=4 3417 B10R0.71 C=CCCCOCCCCC 7a_100000758997_100000210326 [2,0,0,0,0,0|2,0,0]=4 3418 B10R0.71 C=CCCCSCCCCC 62a_100000210326_100000757094 [2,0,0,0,0,0|2,0,0]=4 3419 B10R0.71 C=CCCCSCCCCC 62a_100011713584_100000210326 [2,0,0,0,0,0|2,0,0]=4 3420 B10R0.71 CCCC/C=C/COCC=O 34a_200016272032_200009817547 [2,0,0,0,0,0|1,0,1]=4 3421 B10R0.71 CCCC/C=C/COCC=O 7a_200016272032_200015260668 [2,0,0,0,0,0|1,0,1]=4 3422 B10R0.71 CCCCCCCNCC=O 2230a_100000229938_200015260668 [2,0,0,0,0,0|1,0,1]=4 3423 B10R0.71 CCCCCCCOCC=O 34a_100000210272_200009817547 [2,0,0,0,0,0|1,0,1]=4 3424 B10R0.71 CCCCCCCOCC=O 7a_100000210272_200015260668 [2,0,0,0,0,0|1,0,1]=4 3425 B10R0.71 CCCCCCCSCC=O 62a_100000210614_200015260668 [2,0,0,0,0,0|1,0,1]=4 3426 B10R0.71 CCCCCCCSCC=O 62a_200015260668_100000210316 [2,0,0,0,0,0|1,0,1]=4 3427 B10R0.71 CCCCCNCCCC=O 2230a_100000209983_200011292268 [2,0,0,0,0,0|1,0,0]=3 3428 B10R0.71 CCCCCNCCCCO 2230a_100000209983_100000210776 [2,0,0,0,0,0|1,0,1]=4 3429 B10R0.71 CCCCCNCCCCO 2230a_100000750430_100000210326 [2,0,0,0,0,0|1,0,1]=4 3430 B10R0.71 CCCCCNCCCCO 34a_100000750430_100000718602 [2,0,0,0,0,0|1,0,1]=4 3431 B10R0.71 CCCCCOCCCC=O 7a_100000210253_200011292268 [2,0,0,0,0,0|1,0,0]=3 3432 B10R0.71 CCCCCOCCCCO 34a_100000210253_100011216708 [2,0,0,0,0,0|1,0,1]=4 3433 B10R0.71 CCCCCOCCCCO 7a_100000210253_100000210776 [2,0,0,0,0,0|1,0,1]=4 3434 B10R0.71 CCCCCSCCCC=O 62a_100000210326_200011292268 [2,0,0,0,0,0|1,0,0]=3 3435 B10R0.71 CCCCCSCCCC=O 62a_200011292268_100000210326 [2,0,0,0,0,0|1,0,0]=3 3436 B10R0.71 CCCCCSCCCCO 62a_100000210326_100000210776 [2,0,0,0,0,0|1,0,1]=4 3437 B10R0.71 CCCCCSCCCCO 62a_100000210776_100000210326 [2,0,0,0,0,0|1,0,1]=4 3438 B10R0.71 CCCCNCCCCC=O 2230a_100000102301_100000139335 [2,0,0,0,0,0|1,0,1]=4 3439 B10R0.71 CCCCNCCCCC=O 7a_106832991798_100000139335 [2,0,0,0,0,0|1,0,1]=4 3440 B10R0.71 CCCCOCCCCC=O 7a_100000210227_100000139335 [2,0,0,0,0,0|1,0,1]=4 3441 B10R0.71 CCCCSCCCCC=O 62a_100000139335_100000210210 [2,0,0,0,0,0|1,0,1]=4 3442 B10R0.71 CCCCSCCCCC=O 62a_100000210211_100000139335 [2,0,0,0,0,0|1,0,1]=4 3443 B10R0.71 CCCSCCCCCC=O 62a_100000139337_100000210303 [2,0,0,0,0,0|1,0,1]=4 3444 B10R0.71 CCCSCCCCCC=O 62a_100000210303_100000139337 [2,0,0,0,0,0|1,0,1]=4 3445 B10R0.71 CCOCCNCCCC=O 2230a_102516460346_200011292268 [2,0,0,0,0,0|2,0,0]=4 3446 B10R0.71 CCOCCOCCCC=O 7a_100000210136_200011292268 [2,0,0,0,0,0|2,0,0]=4 3447 B10R0.71 CCOCCSCCCC=O 62a_100000210147_200011292268 [2,0,0,0,0,0|2,0,0]=4 3448 B10R0.71 CCOCCSCCCC=O 62a_200011292268_100011215890 [2,0,0,0,0,0|2,0,0]=4 3449 B10R0.71 CCSCCNCCCC=O 2230a_100000106463_200011292268 [2,0,0,0,0,0|2,0,0]=4 3450 B10R0.71 CCSCCOCCCC=O 7a_100000212035_200011292268 [2,0,0,0,0,0|2,0,0]=4 3451 B10R0.71 CCSCCSCCCC=O 62a_100000757381_200011292268 [2,0,0,0,0,0|2,0,0]=4 3452 B10R0.71 CCSCCSCCCC=O 62a_200011292268_100000757381 [2,0,0,0,0,0|2,0,0]=4 3453 B10R0.71 COCCCSCCCC=O 62a_100000709357_200011292268 [2,0,0,0,0,0|2,0,0]=4 3454 B10R0.71 COCCCSCCCC=O 62a_200011292268_100000709357 [2,0,0,0,0,0|2,0,0]=4 3455 B10R0.71 CSCCCNCCCC=O 2230a_100000749238_200011292268 [2,0,0,0,0,0|2,0,0]=4 3456 B10R0.71 CSCCCOCCCC=O 7a_100000690336_200011292268 [2,0,0,0,0,0|2,0,0]=4 3457 B10R0.71 O=CCCCNCCCCO 2230a_100000750430_200011292268 [2,0,0,0,0,0|2,0,0]=4 3458 B10R0.71 O=CCCCOCCCCCl 7a_100000210776_200011292268 [2,0,0,0,0,0|2,0,0]=4 3459 B10R0.71 O=CCCCOCCCCF 7a_100011995726_200011292268 [2,0,0,0,0,0|2,0,0]=4 3460 B10R0.71 O=CCCCSCCCCF 62a_100000729493_200011292268 [2,0,0,0,0,0|2,0,0]=4 3461 B10R0.71 O=CCCCSCCCCF 62a_200011292268_100000729493 [2,0,0,0,0,0|2,0,0]=4 3462 B10R0.71 O=CCCCSCCCCO 62a_100000210776_200011292268 [2,0,0,0,0,0|2,0,0]=4 3463 B10R0.71 O=CCCCSCCCCO 62a_200011292268_100000210776 [2,0,0,0,0,0|2,0,0]=4 3464 B10R0.91 C#CCCC(=O)CCCCC 1458a_100000212188_100000753159 [2,0,0,0,0,0|0,0,2]=4 3465 B10R0.91 C#CCCC(=O)CCCCC 1458a_100000692101_100000210326 [2,0,0,0,0,0|0,0,2]=4 3466 B10R0.91 C#CCCCC(=O)CCCC 1458a_100000210183_100000731252 [2,0,0,0,0,0|1,0,1]=4 3467 B10R0.91 C#CCCCC(=O)CCCC 1458a_100000690238_100000210211 [2,0,0,0,0,0|1,0,1]=4 3468 B10R0.91 C#CCCCC(=O)CCCO 1458a_100000690238_100011215043 [2,0,0,0,0,0|0,0,2]=4 3469 B10R0.91 C/C=C/CC(=O)CCCCC 1458a_100000212188_100102629194 [2,0,0,0,0,0|1,0,1]=4 3470 B10R0.91 C=CCCC(=O)CCCCC 1458a_100000212188_100000754431 [2,0,0,0,0,0|0,0,1]=3 3471 B10R0.91 C=CCCC(=O)CCCCC 1458a_100000749702_100000210326 [2,0,0,0,0,0|0,0,1]=3 3472 B10R0.91 C=CCCC(=O)CCCCF 1458a_100000749702_100000729493 [2,0,0,0,0,0|1,0,1]=4 3473 B10R0.91 C=CCCC(=O)CCCCO 1458a_100000695505_100000754431 [2,0,0,0,0,0|1,0,1]=4 3474 B10R0.91 C=CCCC(=O)CCCCO 1458a_100000749702_100000210776 [2,0,0,0,0,0|1,0,1]=4 3475 B10R0.91 C=CCCC(=O)CCCOC 1458a_100000741012_100000754431 [2,0,0,0,0,0|1,0,1]=4 3476 B10R0.91 C=CCCC(=O)CCCOC 1458a_100000749702_100000740836 [2,0,0,0,0,0|1,0,1]=4 3477 B10R0.91 C=CCCC(=O)CCCSC 1458a_100000173376_100000754431 [2,0,0,0,0,0|1,0,1]=4 3478 B10R0.91 C=CCCC(=O)CCOCC 1458a_100000749530_100000754431 [2,0,0,0,0,0|1,0,1]=4 3479 B10R0.91 C=CCCC(=O)CCOCC 1458a_100000749702_100011215890 [2,0,0,0,0,0|1,0,1]=4 3480 B10R0.91 C=CCCC(=O)CCSCC 1458a_100000230768_100000754431 [2,0,0,0,0,0|1,0,1]=4 3481 B10R0.91 C=CCCC(=O)CCSCC 1458a_100000749702_100000757381 [2,0,0,0,0,0|1,0,1]=4 3482 B10R0.91 C=CCCC(=O)COCCC 1458a_100000745993_100000754431 [2,0,0,0,0,0|1,0,1]=4 3483 B10R0.91 C=CCCC(=O)CSCCC 1458a_100000217233_100000754431 [2,0,0,0,0,0|1,0,1]=4 3484 B10R0.91 C=CCCC(=O)NCCCC 11a_100000102301_100000749702 [2,0,0,0,0,0|1,0,1]=4 3485 B10R0.91 C=CCCC(=O)NCCCC 1626a_100000102301_100000749702 [2,0,0,0,0,0|1,0,1]=4 3486 B10R0.91 C=CCCC(=O)NCCCC 240690a_100000102301_100000749702 [2,0,0,0,0,0|1,0,1]=4 3487 B10R0.91 C=CCCC(=O)NCCCC 527a_100000102301_100000749702 [2,0,0,0,0,0|1,0,1]=4 3488 B10R0.91 C=CCCCC(=O)CCCC 1458a_100000210183_100000757094 [2,0,0,0,0,0|1,0,0]=3 3489 B10R0.91 C=CCCCC(=O)CCCC 1458a_100000766728_100000210211 [2,0,0,0,0,0|1,0,0]=3 3490 B10R0.91 C=CCCCC(=O)CCCF 1458a_100000766728_100011934791 [2,0,0,0,0,0|2,0,0]=4 3491 B10R0.91 C=CCCCC(=O)CCCO 1458a_100000766728_100011215043 [2,0,0,0,0,0|0,0,2]=4 3492 B10R0.91 C=CCCCC(=O)CCOC 1458a_100000749529_100000757094 [2,0,0,0,0,0|2,0,0]=4 3493 B10R0.91 C=CCCCC(=O)CCOC 1458a_100000766728_100000233755 [2,0,0,0,0,0|2,0,0]=4 3494 B10R0.91 C=CCCCC(=O)CCSC 1458a_100000174002_100000757094 [2,0,0,0,0,0|2,0,0]=4 3495 B10R0.91 C=CCCCC(=O)CCSC 1458a_100000766728_100000751147 [2,0,0,0,0,0|2,0,0]=4 3496 B10R0.91 C=CCCCC(=O)COCC 1458a_100000211967_100000757094 [2,0,0,0,0,0|2,0,0]=4 3497 B10R0.91 C=CCCCC(=O)CSCC 1458a_100000230394_100000757094 [2,0,0,0,0,0|2,0,0]=4 3498 B10R0.91 C=CCCCC(=O)NCCC 11a_100020643023_100000766728 [2,0,0,0,0,0|2,0,0]=4 3499 B10R0.91 C=CCCCC(=O)NCCC 1626a_100020643023_100000766728 [2,0,0,0,0,0|2,0,0]=4 3500 B10R0.91 C=CCCCC(=O)NCCC 240690a_100020643023_100000766728 [2,0,0,0,0,0|2,0,0]=4 3501 B10R0.91 C=CCCCC(=O)NCCC 527a_100020643023_100000766728 [2,0,0,0,0,0|2,0,0]=4 3502 B10R0.91 C=CCCNC(=O)CCCC 11a_100015191253_100000210183 [2,0,0,0,0,0|2,0,0]=4 3503 B10R0.91 C=CCCNC(=O)CCCC 1626a_100015191253_100000210183 [2,0,0,0,0,0|2,0,0]=4 3504 B10R0.91 C=CCCNC(=O)CCCC 240690a_100015191253_100000210183 [2,0,0,0,0,0|2,0,0]=4 3505 B10R0.91 C=CCCNC(=O)CCCC 527a_100015191253_100000210183 [2,0,0,0,0,0|2,0,0]=4 3506 B10R0.91 C=CCNC(=O)CCCCC 1626a_100020586998_100000212188 [2,0,0,0,0,0|1,0,1]=4 3507 B10R0.91 C=CCNC(=O)CCCCC 240690a_100020586998_100000212188 [2,0,0,0,0,0|1,0,1]=4 3508 B10R0.91 C=CCNC(=O)CCCCC 527a_100020586998_100000212188 [2,0,0,0,0,0|1,0,1]=4 3509 B10R0.91 C=CCSCC(=O)CCCC 1458a_100000230395_100000210211 [2,0,0,0,0,0|2,0,0]=4 3510 B10R0.91 C=COCCC(=O)CCCC 1458a_100000210183_100000039644 [2,0,0,0,0,0|2,0,0]=4 3511 B10R0.91 CC/C=C/CC(=O)CCCO 1458a_100016274230_100011215043 [2,0,0,0,0,0|0,0,2]=4 3512 B10R0.91 CC=CCC(=O)CCCCC 1458a_100000212188_100000070051 [2,0,0,0,0,0|1,0,1]=4 3513 B10R0.91 CC=CCC(=O)CCCCC 1458a_100121576822_100000210326 [2,0,0,0,0,0|1,0,1]=4 3514 B10R0.91 CCCC#CC(=O)CCCO 1458a_200011218047_100011215043 [2,0,0,0,0,0|0,0,2]=4 3515 B10R0.91 CCCC=CC(=O)CCCO 1458a_100000212230_100011215043 [2,0,0,0,0,0|0,0,2]=4 3516 B10R0.91 CCCCC(=O)CCCC#N 1458a_100000075515_100000210211 [2,0,0,0,0,0|1,0,1]=4 3517 B10R0.91 CCCCC(=O)CCCC#N 1458a_100000210183_100000211468 [2,0,0,0,0,0|1,0,1]=4 3518 B10R0.91 CCCCC(=O)CCCCF 1458a_100000210183_100000729493 [2,0,0,0,0,0|1,0,1]=4 3519 B10R0.91 CCCCC(=O)CCCCO 1458a_100000210183_100000210776 [2,0,0,0,0,0|0,0,1]=3 3520 B10R0.91 CCCCC(=O)CCCCO 1458a_100000695505_100000210211 [2,0,0,0,0,0|0,0,1]=3 3521 B10R0.91 CCCCC(=O)CCCOC 1458a_100000210183_100000740836 [2,0,0,0,0,0|1,0,1]=4 3522 B10R0.91 CCCCC(=O)CCCOC 1458a_100000741012_100000210211 [2,0,0,0,0,0|1,0,1]=4 3523 B10R0.91 CCCCC(=O)CCCSC 1458a_100000173376_100000210211 [2,0,0,0,0,0|1,0,1]=4 3524 B10R0.91 CCCCC(=O)CCOCC 1458a_100000210183_100011215890 [2,0,0,0,0,0|1,0,1]=4 3525 B10R0.91 CCCCC(=O)CCOCC 1458a_100000749530_100000210211 [2,0,0,0,0,0|1,0,1]=4 3526 B10R0.91 CCCCC(=O)CCSCC 1458a_100000210183_100000757381 [2,0,0,0,0,0|1,0,1]=4 3527 B10R0.91 CCCCC(=O)CCSCC 1458a_100000230768_100000210211 [2,0,0,0,0,0|1,0,1]=4 3528 B10R0.91 CCCCC(=O)COCCC 1458a_100000745993_100000210211 [2,0,0,0,0,0|1,0,1]=4 3529 B10R0.91 CCCCC(=O)COCCO 1458a_100000708028_100000210211 [2,0,0,0,0,0|1,0,1]=4 3530 B10R0.91 CCCCC(=O)CSCCC 1458a_100000217233_100000210211 [2,0,0,0,0,0|1,0,1]=4 3531 B10R0.91 CCCCC(=O)NCCCO 240690a_100000182051_100000210183 [2,0,0,0,0,0|1,0,1]=4 3532 B10R0.91 CCCCC(=O)NCCCO 527a_100000182051_100000210183 [2,0,0,0,0,0|1,0,1]=4 3533 B10R0.91 CCCCCC(=O)C#CCO 1458a_100000049017_100000210326 [2,0,0,0,0,0|0,0,2]=4 3534 B10R0.91 CCCCCC(=O)CCC#N 1458a_100000212188_100011215226 [2,0,0,0,0,0|1,0,1]=4 3535 B10R0.91 CCCCCC(=O)CCC#N 1458a_100011934036_100000210326 [2,0,0,0,0,0|1,0,1]=4 3536 B10R0.91 CCCCCC(=O)CCCC 1458a_100000210183_100000210326 [2,0,0,0,0,0|0,0,1]=3 3537 B10R0.91 CCCCCC(=O)CCCC 1458a_100000212188_100000210211 [2,0,0,0,0,0|0,0,1]=3 3538 B10R0.91 CCCCCC(=O)CCCF 1458a_100000212188_100011934791 [2,0,0,0,0,0|1,0,0]=3 3539 B10R0.91 CCCCCC(=O)CCCO 1458a_100000212188_100011215043 [2,0,0,0,0,0|0,0,0]=2 3540 B10R0.91 CCCCCC(=O)CCOC 1458a_100000212188_100000233755 [2,0,0,0,0,0|1,0,1]=4 3541 B10R0.91 CCCCCC(=O)CCOC 1458a_100000749529_100000210326 [2,0,0,0,0,0|1,0,1]=4 3542 B10R0.91 CCCCCC(=O)CCSC 1458a_100000174002_100000210326 [2,0,0,0,0,0|1,0,1]=4 3543 B10R0.91 CCCCCC(=O)CCSC 1458a_100000212188_100000751147 [2,0,0,0,0,0|1,0,1]=4 3544 B10R0.91 CCCCCC(=O)CNCC 2230a_100015525214_200012276598 [2,0,0,0,0,0|1,0,1]=4 3545 B10R0.91 CCCCCC(=O)COCC 1458a_100000211967_100000210326 [2,0,0,0,0,0|1,0,1]=4 3546 B10R0.91 CCCCCC(=O)COCC 34a_100121572206_200012276598 [2,0,0,0,0,0|1,0,1]=4 3547 B10R0.91 CCCCCC(=O)CSCC 1458a_100000230394_100000210326 [2,0,0,0,0,0|1,0,1]=4 3548 B10R0.91 CCCCCC(=O)CSCC 62a_100000210202_200012276598 [2,0,0,0,0,0|1,0,1]=4 3549 B10R0.91 CCCCCC(=O)CSCC 62a_200012276598_100000210202 [2,0,0,0,0,0|1,0,1]=4 3550 B10R0.91 CCCCCC(=O)CSCF 62a_100015361967_200012276598 [2,0,0,0,0,0|2,0,0]=4 3551 B10R0.91 CCCCCC(=O)CSCF 62a_200012276598_100015361967 [2,0,0,0,0,0|2,0,0]=4 3552 B10R0.91 CCCCCC(=O)NCCC 11a_100020643023_100000212188 [2,0,0,0,0,0|1,0,1]=4 3553 B10R0.91 CCCCCC(=O)NCCC 1626a_100020643023_100000212188 [2,0,0,0,0,0|1,0,1]=4 3554 B10R0.91 CCCCCC(=O)NCCC 240690a_100020643023_100000212188 [2,0,0,0,0,0|1,0,1]=4 3555 B10R0.91 CCCCCC(=O)NCCC 527a_100020643023_100000212188 [2,0,0,0,0,0|1,0,1]=4 3556 B10R0.91 CCCCCC(=O)NCCF 11a_100000724931_100000212188 [2,0,0,0,0,0|2,0,0]=4 3557 B10R0.91 CCCCCC(=O)NCCF 1626a_100000724931_100000212188 [2,0,0,0,0,0|2,0,0]=4 3558 B10R0.91 CCCCCC(=O)NCCF 240690a_100000724931_100000212188 [2,0,0,0,0,0|2,0,0]=4 3559 B10R0.91 CCCCCC(=O)NCCF 527a_100000724931_100000212188 [2,0,0,0,0,0|2,0,0]=4 3560 B10R0.91 CCCCCC(=O)NCCO 240690a_100000210304_100000212188 [2,0,0,0,0,0|1,0,0]=3 3561 B10R0.91 CCCCCC(=O)NCCO 527a_100000210304_100000212188 [2,0,0,0,0,0|1,0,0]=3 3562 B10R0.91 CCCCCN(C)CCCO 2230a_100000213112_100000210326 [2,0,0,0,0,0|2,0,0]=4 3563 B10R0.91 CCCCCN(C)CCCO 2230a_100000223495_100000230001 [2,0,0,0,0,0|2,0,0]=4 3564 B10R0.91 CCCCCN(C)CCCO 269982a_100000213112_100000210215 [2,0,0,0,0,0|2,0,0]=4 3565 B10R0.91 CCCCCN(C)CCCO 269982a_100000223495_100011215043 [2,0,0,0,0,0|2,0,0]=4 3566 B10R0.91 CCCCN(C)CCCC=O 2230a_100000207549_200011292268 [2,0,0,0,0,0|2,0,0]=4 3567 B10R0.91 CCCCN(C)CCCC=O 269982a_100000207549_200011292268 [2,0,0,0,0,0|2,0,0]=4 3568 B10R0.91 CCCCNC(=O)CCCC 11a_100000102301_100000210183 [2,0,0,0,0,0|1,0,1]=4 3569 B10R0.91 CCCCNC(=O)CCCC 1626a_100000102301_100000210183 [2,0,0,0,0,0|1,0,1]=4 3570 B10R0.91 CCCCNC(=O)CCCC 240690a_100000102301_100000210183 [2,0,0,0,0,0|1,0,1]=4 3571 B10R0.91 CCCCNC(=O)CCCC 527a_100000102301_100000210183 [2,0,0,0,0,0|1,0,1]=4 3572 B10R0.91 CCCCNC(=O)NCCO 2708a_100000102301_100000210304 [2,0,0,0,0,0|2,0,0]=4 3573 B10R0.91 CCCCNC(=O)NCCO 273464a_100000102301_100000210304 [2,0,0,0,0,0|2,0,0]=4 3574 B10R0.91 CCCCNC(=O)NCCO 273464a_100000210304_100000102301 [2,0,0,0,0,0|2,0,0]=4 3575 B10R0.91 CCCCNC(=O)NCCO 512a_100000102301_100000210304 [2,0,0,0,0,0|2,0,0]=4 3576 B10R0.91 CCCNC(=O)CCCCO 1626a_100020643023_100000695505 [2,0,0,0,0,0|1,0,1]=4 3577 B10R0.91 CCCNC(=O)CNCC=O 2230a_100000174927_200015260668 [2,0,0,0,0,0|2,0,0]=4 3578 B10R0.91 CCCNC(=O)CSCC=O 62a_100000183358_200015260668 [2,0,0,0,0,0|2,0,0]=4 3579 B10R0.91 CCCNC(=O)CSCC=O 62a_200015260668_100000183358 [2,0,0,0,0,0|2,0,0]=4 3580 B10R0.91 CCCOC(=O)CSCC=O 62a_200011215008_200015260668 [2,0,0,0,0,0|2,0,0]=4 3581 B10R0.91 CCCOC(=O)CSCC=O 62a_200015260668_200011215008 [2,0,0,0,0,0|2,0,0]=4 3582 B10R0.91 CCCOCC(=O)CCCF 1458a_100000745993_100011934791 [2,0,0,0,0,0|2,0,0]=4 3583 B10R0.91 CCCOCC(=O)CCCO 1458a_100000745993_100011215043 [2,0,0,0,0,0|1,0,0]=3 3584 B10R0.91 CCCOCC(=O)NCCO 240690a_100000210304_100000745993 [2,0,0,0,0,0|2,0,0]=4 3585 B10R0.91 CCCOCC(=O)NCCO 527a_100000210304_100000745993 [2,0,0,0,0,0|2,0,0]=4 3586 B10R0.91 CCCSCC(=O)CCCF 1458a_100000217233_100011934791 [2,0,0,0,0,0|2,0,0]=4 3587 B10R0.91 CCCSCC(=O)CCCO 1458a_100000217233_100011215043 [2,0,0,0,0,0|1,0,0]=3 3588 B10R0.91 CCCSCC(=O)NCCO 240690a_100000210304_100000217233 [2,0,0,0,0,0|2,0,0]=4 3589 B10R0.91 CCCSCC(=O)NCCO 527a_100000210304_100000217233 [2,0,0,0,0,0|2,0,0]=4 3590 B10R0.91 CCOCC(=O)CCCCO 1458a_100000211967_100000210776 [2,0,0,0,0,0|1,0,1]=4 3591 B10R0.91 CCOCCC(=O)CCCF 1458a_100000749530_100011934791 [2,0,0,0,0,0|2,0,0]=4 3592 B10R0.91 CCOCCC(=O)CCCO 1458a_100000749530_100011215043 [2,0,0,0,0,0|1,0,0]=3 3593 B10R0.91 CCOCCC(=O)NCCO 240690a_100000210304_100000749530 [2,0,0,0,0,0|2,0,0]=4 3594 B10R0.91 CCOCCC(=O)NCCO 527a_100000210304_100000749530 [2,0,0,0,0,0|2,0,0]=4 3595 B10R0.91 CCSCC(=O)CCCCO 1458a_100000230394_100000210776 [2,0,0,0,0,0|1,0,1]=4 3596 B10R0.91 CCSCCC(=O)CCCF 1458a_100000230768_100011934791 [2,0,0,0,0,0|2,0,0]=4 3597 B10R0.91 CCSCCC(=O)CCCO 1458a_100000230768_100011215043 [2,0,0,0,0,0|1,0,0]=3 3598 B10R0.91 CCSCCC(=O)NCCO 240690a_100000210304_100000230768 [2,0,0,0,0,0|2,0,0]=4 3599 B10R0.91 CCSCCC(=O)NCCO 527a_100000210304_100000230768 [2,0,0,0,0,0|2,0,0]=4 3600 B10R0.91 COCCC(=O)CCCCO 1458a_100000695505_100000233755 [2,0,0,0,0,0|1,0,1]=4 3601 B10R0.91 COCCC(=O)CCCCO 1458a_100000749529_100000210776 [2,0,0,0,0,0|1,0,1]=4 3602 B10R0.91 COCCCC(=O)CCCF 1458a_100000741012_100011934791 [2,0,0,0,0,0|2,0,0]=4 3603 B10R0.91 COCCCC(=O)CCCO 1458a_100000741012_100011215043 [2,0,0,0,0,0|1,0,0]=3 3604 B10R0.91 COCCCC(=O)NCCO 240690a_100000210304_100000741012 [2,0,0,0,0,0|2,0,0]=4 3605 B10R0.91 COCCCC(=O)NCCO 527a_100000210304_100000741012 [2,0,0,0,0,0|2,0,0]=4 3606 B10R0.91 CSCCC(=O)CCCCO 1458a_100000174002_100000210776 [2,0,0,0,0,0|1,0,1]=4 3607 B10R0.91 CSCCC(=O)CCCCO 1458a_100000695505_100000751147 [2,0,0,0,0,0|1,0,1]=4 3608 B10R0.91 CSCCCC(=O)CCCF 1458a_100000173376_100011934791 [2,0,0,0,0,0|2,0,0]=4 3609 B10R0.91 CSCCCC(=O)CCCO 1458a_100000173376_100011215043 [2,0,0,0,0,0|1,0,0]=3 3610 B10R0.91 CSCCCC(=O)NCCO 240690a_100000210304_100000173376 [2,0,0,0,0,0|2,0,0]=4 3611 B10R0.91 CSCCCC(=O)NCCO 527a_100000210304_100000173376 [2,0,0,0,0,0|2,0,0]=4 3612 B10R0.91 N#CCCCC(=O)CCCO 1458a_100000075515_100011215043 [2,0,0,0,0,0|1,0,1]=4 3613 B10R0.91 O=C(CCCF)CCCCO 1458a_100000695505_100011934791 [2,0,0,0,0,0|1,0,1]=4 3614 B10R0.91 O=C(CCCO)CCCCO 1458a_100000695505_100011215043 [2,0,0,0,0,0|1,0,0]=3 3615 B10R0.91 O=C(CCCO)COCCO 1458a_100000708028_100011215043 [2,0,0,0,0,0|2,0,0]=4 3616 B10R0.3 CC(=O)CCCC(=O)CCO 1458a_100011216618_100011215641 [2,0,0,0,0,0|2,0,0]=4 3617 B10R0.3 CCCC(=O)CCCC(=O)C 1458a_100000211992_100011215641 [2,0,0,0,0,0|1,0,0]=3 3618 B10R0.3 CCCC(=O)CCCC(=O)N 1458a_100000211992_100102525003 [2,0,0,0,0,0|1,0,0]=3 3619 B10R0.3 CCCC(=O)CCCC(C)O 1458a_100000211992_200000718107 [2,0,0,0,0,0|1,0,1]=4 3620 B10R0.3 CCCC(=O)CCC[N+](=O)[O-] 1458a_100016109205_100000210303 [2,0,0,0,0,0|1,0,1]=4 3621 B10R0.3 CCCC(=O)CCNC(=O)C 1458a_100000183196_100000210303 [2,0,0,0,0,0|2,0,0]=4 3622 B10R0.3 CCCC(=O)CCNC(=O)C 1458a_100000211992_100000189650 [2,0,0,0,0,0|2,0,0]=4 3623 B10R0.3 CCCC(=O)CCNC(=O)N 1458a_100000181464_100000210303 [2,0,0,0,0,0|2,0,0]=4 3624 B10R0.3 CCCC(=O)CCNC(=O)N 1458a_100000211992_200000034859 [2,0,0,0,0,0|2,0,0]=4 3625 B10R0.3 CCCC(=O)CCOC(=O)C 1458a_100000211992_100009814007 [2,0,0,0,0,0|2,0,0]=4 3626 B10R0.3 CCCC(=O)CCOC(=O)N 1458a_100000211992_200011214921 [2,0,0,0,0,0|2,0,0]=4 3627 B10R0.3 CCCC(=O)CCSC(=O)C 1458a_100000048949_100000210303 [2,0,0,0,0,0|2,0,0]=4 3628 B10R0.3 CCCC(=O)CNCC(=O)N 2230a_100000711301_100000747444 [2,0,0,0,0,0|2,0,0]=4 3629 B10R0.3 CCCC(=O)CNCC(=O)O 269956a_100016091260_100000747444 [2,0,0,0,0,0|1,0,0]=3 3630 B10R0.3 CCCC(=O)COCC(=O)N 1458a_100011219004_100000210303 [2,0,0,0,0,0|2,0,0]=4 3631 B10R0.3 CCCC(=O)CSCC(=O)N 62a_100000747444_100000747473 [2,0,0,0,0,0|2,0,0]=4 3632 B10R0.3 CCCC(=O)CSCC(=O)N 62a_100000747473_100000747444 [2,0,0,0,0,0|2,0,0]=4 3633 B10R0.3 CCCC(=O)CSCC(=O)[O-] 62a_100000747444_100020667443 [2,0,0,0,0,0|1,0,1]=4 3634 B10R0.3 CCCC(=O)CSCC(=O)[O-] 62a_100020667443_100000747444 [2,0,0,0,0,0|1,0,1]=4 3635 B10R0.3 CCCC(=O)NCCC(=O)N 11a_100000740010_100000211992 [2,0,0,0,0,0|2,0,0]=4 3636 B10R0.3 CCCC(=O)NCCC(=O)N 240690a_100000740010_100000211992 [2,0,0,0,0,0|2,0,0]=4 3637 B10R0.3 CCCC(=O)NCCC(=O)N 527a_100000740010_100000211992 [2,0,0,0,0,0|2,0,0]=4 3638 B10R0.3 CCCN(C)CCCC(=O)O 269956a_100000719178_100000210207 [2,0,0,0,0,0|2,0,0]=4 3639 B10R0.3 CCNC(=O)CCCC(=O)C 1458a_100000199580_200000210301 [2,0,0,0,0,0|2,0,0]=4 3640 B10R0.3 CCNC(=O)CCCC(=O)[13CH3] 1458a_100000199580_200025704644 [2,0,0,0,0,0|2,0,0]=4 3641 B10R0.3 CCNC(=O)CNCC(=O)O 269956a_100016091260_100000183381 [2,0,0,0,0,0|2,0,0]=4 3642 B10R0.3 CCOC(=O)CCCC(=O)C 1458a_100000070787_100011215271 [2,0,0,0,0,0|2,0,0]=4 3643 B10R0.3 CCOC(=O)CCCC(=O)C 1458a_100000210991_200000210301 [2,0,0,0,0,0|2,0,0]=4 3644 B10R0.3 CCOC(=O)CCCC(=O)[13CH3] 1458a_100000210991_200025704644 [2,0,0,0,0,0|2,0,0]=4 3645 B10R0.3 CCOC(=O)CNCC(=O)O 269956a_100016091260_100000188475 [2,0,0,0,0,0|2,0,0]=4 3646 B10R0.3 COCC(=O)CCCC(=O)C 1458a_100000210968_100011215641 [2,0,0,0,0,0|2,0,0]=4 3647 B10R0.3 COCC(=O)CCCC(=O)N 1458a_100000210968_100102525003 [2,0,0,0,0,0|2,0,0]=4 3648 B10R0.3 CSCC(=O)CCCC(=O)C 1458a_100000184570_100011215641 [2,0,0,0,0,0|2,0,0]=4 3649 B10R0.3 CSCC(=O)CCCC(=O)N 1458a_100000184570_100102525003 [2,0,0,0,0,0|2,0,0]=4 3650 B10R0.3 NC(=O)CCCC(=O)CCO 1458a_100011216618_100102525003 [2,0,0,0,0,0|2,0,0]=4 3651 B10R0.4 CC(=O)CCCCCCCO 1458a_100000070787_100000760002 [2,0,0,0,0,0|2,0,0]=4 3652 B10R0.4 CC(=O)CCCCCCCO 1458a_100011219782_200000210301 [2,0,0,0,0,0|2,0,0]=4 3653 B10R0.4 CCCCC/C=C/CC(=O)C 1458a_100020675968_200000210301 [2,0,0,0,0,0|1,0,1]=4 3654 B10R0.4 CCCCC/C=C/CC(=O)[13CH3] 1458a_100020675968_200025704644 [2,0,0,0,0,0|1,0,1]=4 3655 B10R0.4 CCCCCCCCC(=O)C 1458a_100000070787_100000210759 [2,0,0,0,0,0|1,0,0]=3 3656 B10R0.4 CCCCCCCCC(=O)C 1458a_100000210188_200000210301 [2,0,0,0,0,0|1,0,0]=3 3657 B10R0.4 CCCCCCCCC(=O)[13CH3] 1458a_100000210188_200025704644 [2,0,0,0,0,0|1,0,0]=3 3658 B10R0.4 CCCCCCCNC(=O)C 11a_100000229938_100015343762 [2,0,0,0,0,0|2,0,0]=4 3659 B10R0.4 CCCCCCCNC(=O)C 1626a_100000229938_100015343762 [2,0,0,0,0,0|2,0,0]=4 3660 B10R0.4 CCCCCCCNC(=O)C 240690a_100000229938_100015343762 [2,0,0,0,0,0|2,0,0]=4 3661 B10R0.4 CCCCCCCNC(=O)C 527a_100000229938_100103153847 [2,0,0,0,0,0|2,0,0]=4 3662 B10R0.4 CCCCCCNCC(=O)N 2230a_100000210581_100000747473 [2,0,0,0,0,0|2,0,0]=4 3663 B10R0.4 CCCCCCNCC(=O)N 2230a_100000711301_100000210314 [2,0,0,0,0,0|2,0,0]=4 3664 B10R0.4 CCCCCCNCC(=O)O 269956a_100016091260_100000210757 [2,0,0,0,0,0|1,0,0]=3 3665 B10R0.4 CCCCCCOCC(=O)C 34a_100000211253_100000210314 [2,0,0,0,0,0|2,0,0]=4 3666 B10R0.4 CCCCCCOCC(=O)N 34a_100000210259_100000187820 [2,0,0,0,0,0|2,0,0]=4 3667 B10R0.4 CCCCCCOCC(=O)N 7a_100000210259_100000187820 [2,0,0,0,0,0|2,0,0]=4 3668 B10R0.4 CCCCCCOCC(=O)[O-] 34a_100000210259_100020667443 [2,0,0,0,0,0|1,0,1]=4 3669 B10R0.4 CCCCCCSCC(=O)N 62a_100000210314_100000747473 [2,0,0,0,0,0|2,0,0]=4 3670 B10R0.4 CCCCCCSCC(=O)N 62a_100000747473_100000210757 [2,0,0,0,0,0|2,0,0]=4 3671 B10R0.4 CCCCCCSCC(=O)[O-] 62a_100000210314_100020667443 [2,0,0,0,0,0|1,0,1]=4 3672 B10R0.4 CCCCCCSCC(=O)[O-] 62a_100020667443_100000210757 [2,0,0,0,0,0|1,0,1]=4 3673 B10R0.4 CCCCCNCCC(=O)N 2230a_100000209983_100000744528 [2,0,0,0,0,0|2,0,0]=4 3674 B10R0.4 CCCCCNOCC(=O)O 269956a_100000106656_100000210326 [2,0,0,0,0,0|2,0,0]=4 3675 B10R0.4 CCCCCOCCC(=O)C 34a_100000759926_100000718602 [2,0,0,0,0,0|2,0,0]=4 3676 B10R0.4 CCCCCOCCC(=O)C 7a_100000210253_100000053229 [2,0,0,0,0,0|2,0,0]=4 3677 B10R0.4 CCCCCOCCC(=O)C 7a_100000759926_100000210326 [2,0,0,0,0,0|2,0,0]=4 3678 B10R0.4 CCCCCOCCC(=O)N 34a_100000210253_100000731001 [2,0,0,0,0,0|2,0,0]=4 3679 B10R0.4 CCCCCOCCC(=O)N 34a_100000757172_100000718602 [2,0,0,0,0,0|2,0,0]=4 3680 B10R0.4 CCCCCOCCC(=O)N 7a_100000210253_100000744528 [2,0,0,0,0,0|2,0,0]=4 3681 B10R0.4 CCCCCOCCC(=O)N 7a_100000757172_100000210326 [2,0,0,0,0,0|2,0,0]=4 3682 B10R0.4 CCCCCSCCC(=O)C 62a_100000053229_100000210326 [2,0,0,0,0,0|2,0,0]=4 3683 B10R0.4 CCCCCSCCC(=O)C 62a_100000210326_100000053229 [2,0,0,0,0,0|2,0,0]=4 3684 B10R0.4 CCCCCSCCC(=O)N 62a_100000210326_100000744528 [2,0,0,0,0,0|2,0,0]=4 3685 B10R0.4 CCCCCSCCC(=O)N 62a_100000744528_100000210326 [2,0,0,0,0,0|2,0,0]=4 3686 B10R0.4 CCCCNCCCC(=O)C 7a_106832991798_100011215641 [2,0,0,0,0,0|2,0,0]=4 3687 B10R0.4 CCCCNCCCC(=O)N 34a_100000739312_100000210210 [2,0,0,0,0,0|2,0,0]=4 3688 B10R0.4 CCCCNCCCC(=O)N 7a_106832991798_100102525003 [2,0,0,0,0,0|2,0,0]=4 3689 B10R0.4 CCCCOCCCC(=O)C 34a_100000210227_100000685027 [2,0,0,0,0,0|2,0,0]=4 3690 B10R0.4 CCCCOCCCC(=O)C 34a_100000759063_100000210210 [2,0,0,0,0,0|2,0,0]=4 3691 B10R0.4 CCCCOCCCC(=O)C 7a_100000210227_100011215641 [2,0,0,0,0,0|2,0,0]=4 3692 B10R0.4 CCCCOCCCC(=O)C 7a_100000759063_100000210211 [2,0,0,0,0,0|2,0,0]=4 3693 B10R0.4 CCCCOCCCC(=O)N 34a_100000210227_100102525003 [2,0,0,0,0,0|2,0,0]=4 3694 B10R0.4 CCCCOCCCC(=O)N 7a_100000210227_100102525003 [2,0,0,0,0,0|2,0,0]=4 3695 B10R0.4 CCCCOCNCC(=O)O 269956a_100016091260_100011995733 [2,0,0,0,0,0|2,0,0]=4 3696 B10R0.4 CCCCSCCCC(=O)C 62a_100000210211_100011215641 [2,0,0,0,0,0|2,0,0]=4 3697 B10R0.4 CCCCSCCCC(=O)C 62a_100011215641_100000210210 [2,0,0,0,0,0|2,0,0]=4 3698 B10R0.4 CCCCSCCCC(=O)N 62a_100000210211_100102525003 [2,0,0,0,0,0|2,0,0]=4 3699 B10R0.4 CCCCSCCCC(=O)N 62a_100102525003_100000210210 [2,0,0,0,0,0|2,0,0]=4 3700 B10R0.4 CCCNCCCCC(=O)N 34a_100000696515_100000210303 [2,0,0,0,0,0|2,0,0]=4 3701 B10R0.4 CCCNCCOCC(=O)O 269956a_100000700818_100000210207 [2,0,0,0,0,0|2,0,0]=4 3702 B10R0.4 CCCOCCCCC(=O)C 34a_100000210258_100009817362 [2,0,0,0,0,0|2,0,0]=4 3703 B10R0.4 CCCOCCCCC(=O)N 34a_100012022536_100000210303 [2,0,0,0,0,0|2,0,0]=4 3704 B10R0.4 CCCOCCCCC(=O)N 7a_100012022536_100000210303 [2,0,0,0,0,0|2,0,0]=4 3705 B10R0.4 CCCOCCNCC(=O)O 269956a_100016091260_100011215938 [2,0,0,0,0,0|2,0,0]=4 3706 B10R0.4 CCCSCCCCC(=O)C 62a_100000210303_100000735457 [2,0,0,0,0,0|2,0,0]=4 3707 B10R0.4 CCCSCCCCC(=O)C 62a_100000735457_100000210303 [2,0,0,0,0,0|2,0,0]=4 3708 B10R0.4 CCNCCCCCC(=O)N 2230a_100015525214_100009817443 [2,0,0,0,0,0|2,0,0]=4 3709 B10R0.4 CCOCCCCCC(=O)N 34a_100000123541_100000210202 [2,0,0,0,0,0|2,0,0]=4 3710 B10R0.4 CCOCCCCCC(=O)N 34a_100121572206_100009817443 [2,0,0,0,0,0|2,0,0]=4 3711 B10R0.4 CCOCCCCCC(=O)N 7a_100000123541_100000210202 [2,0,0,0,0,0|2,0,0]=4 3712 B10R0.4 CCOCCCCCC(=O)[O-] 7a_100102619762_100000210202 [2,0,0,0,0,0|1,0,1]=4 3713 B10R0.4 CCOCCCNCC(=O)O 269956a_100016091260_100012232248 [2,0,0,0,0,0|2,0,0]=4 3714 B10R0.4 CCSCCCCCC(=O)N 62a_100000210202_100009817443 [2,0,0,0,0,0|2,0,0]=4 3715 B10R0.4 CCSCCCCCC(=O)N 62a_100009817443_100000210202 [2,0,0,0,0,0|2,0,0]=4 3716 B10R0.4 COCCCCCCC(=O)C 1458a_100000070787_100011998445 [2,0,0,0,0,0|2,0,0]=4 3717 B10R0.4 COCCCCNCC(=O)O 269956a_100016091260_100000730899 [2,0,0,0,0,0|2,0,0]=4 3718 B10R0.4 O=C(O)CNCCCCCF 269956a_100016091260_100000729378 [2,0,0,0,0,0|2,0,0]=4 3719 B10R0.4 O=C(O)CNCCCCCO 269956a_100016091260_100000746330 [2,0,0,0,0,0|2,0,0]=4 3720 B10R0.4 [13CH3]C(=O)CCCCCCCO 1458a_100011219782_200025704644 [2,0,0,0,0,0|2,0,0]=4 3721 B12R0.47 C#CCCCC(=O)CCCCCC 1458a_100000690238_100000210757 [1,1,0,0,0,0|1,0,1]=4 3722 B12R0.47 C#CCCCC(=O)CCCCCC 1458a_100102632555_100000731252 [1,1,0,0,0,0|1,0,1]=4 3723 B12R0.47 C#CCCCC(=O)CCCCCF 1458a_100000690238_100000729378 [1,1,0,0,0,0|1,0,1]=4 3724 B12R0.47 C#CCCCC(=O)CCCCCO 1458a_100000690238_100000746330 [1,1,0,0,0,0|1,0,1]=4 3725 B12R0.47 C#CCCCC(=O)CCCCCO 1458a_100102619762_100000731252 [1,1,0,0,0,0|1,0,1]=4 3726 B12R0.47 C#CCCCC(=O)CCCCOC 1458a_100000690238_100000755781 [1,1,0,0,0,0|1,0,1]=4 3727 B12R0.47 C#CCCCC(=O)CCCOCC 1458a_100000690238_100012232248 [1,1,0,0,0,0|1,0,1]=4 3728 B12R0.47 C#CCCCC(=O)CCOCCC 1458a_100000690238_100011215938 [1,1,0,0,0,0|1,0,1]=4 3729 B12R0.47 C#CCCCC(=O)COCCCC 1458a_100000690238_100011995733 [1,1,0,0,0,0|1,0,1]=4 3730 B12R0.47 C#CCCCC(=O)COCCCC 1458a_100000757543_100000731252 [1,1,0,0,0,0|1,0,1]=4 3731 B12R0.47 C#CCCCC(=O)CSCCCC 1458a_100000191162_100000731252 [1,1,0,0,0,0|1,0,1]=4 3732 B12R0.47 C#CCCCC(=O)NCCCCC 11a_100000209983_100000690238 [1,1,0,0,0,0|1,0,1]=4 3733 B12R0.47 C#CCCCC(=O)NCCCCC 1626a_100000209983_100000690238 [1,1,0,0,0,0|1,0,1]=4 3734 B12R0.47 C#CCCCC(=O)NCCCCC 240690a_100000209983_100000690238 [1,1,0,0,0,0|1,0,1]=4 3735 B12R0.47 C#CCCCC(=O)NCCCCC 527a_100000209983_100000690238 [1,1,0,0,0,0|1,0,1]=4 3736 B12R0.47 C#CCCCCC(=O)CCCC=C 1458a_100000696528_100000757094 [1,1,0,0,0,0|1,0,1]=4 3737 B12R0.47 C#CCCCCC(=O)CCCC=C 1458a_100000766728_100010269958 [1,1,0,0,0,0|1,0,1]=4 3738 B12R0.47 C#CCCCCC(=O)CCCCC 1458a_100000212188_100010269958 [1,1,0,0,0,0|1,0,1]=4 3739 B12R0.47 C#CCCCCC(=O)CCCCC 1458a_100000696528_100000210326 [1,1,0,0,0,0|1,0,1]=4 3740 B12R0.47 C#CCCCCC(=O)CCCCO 1458a_100000695505_100010269958 [1,1,0,0,0,0|0,0,2]=4 3741 B12R0.47 C#CCCCCC(=O)CCCCO 1458a_100000696528_100000210776 [1,1,0,0,0,0|0,0,2]=4 3742 B12R0.47 C#CCCCNC(=O)CCCCC 11a_100000718082_100000212188 [1,1,0,0,0,0|1,0,1]=4 3743 B12R0.47 C#CCCCNC(=O)CCCCC 1626a_100000718082_100000212188 [1,1,0,0,0,0|1,0,1]=4 3744 B12R0.47 C#CCCCNC(=O)CCCCC 240690a_100000718082_100000212188 [1,1,0,0,0,0|1,0,1]=4 3745 B12R0.47 C#CCCCNC(=O)CCCCC 527a_100000718082_100000212188 [1,1,0,0,0,0|1,0,1]=4 3746 B12R0.47 C#CCCNCC(=O)CCCCC 34a_100000755551_200012276598 [1,1,0,0,0,0|1,0,1]=4 3747 B12R0.47 C#CCCOCC(=O)CCCCC 34a_100011215631_200012276598 [1,1,0,0,0,0|1,0,1]=4 3748 B12R0.47 C#CCCSCC(=O)CCCCC 62a_100000688953_200012276598 [1,1,0,0,0,0|1,0,1]=4 3749 B12R0.47 C#CCCSCC(=O)CCCCC 62a_200012276598_100000688953 [1,1,0,0,0,0|1,0,1]=4 3750 B12R0.47 C#CCOCCC(=O)CCCCC 1458a_100000212188_100010402529 [1,1,0,0,0,0|1,0,1]=4 3751 B12R0.47 C#CCOCCC(=O)CCCCC 1458a_100000693358_100000210326 [1,1,0,0,0,0|1,0,1]=4 3752 B12R0.47 C/C=C/COCC(=O)CCCCC 34a_100016270725_200012276598 [1,1,0,0,0,0|1,0,1]=4 3753 B12R0.47 C/C=C/CSCC(=O)CCCCC 62a_100102629194_200012276598 [1,1,0,0,0,0|1,0,1]=4 3754 B12R0.47 C/C=C/CSCC(=O)CCCCC 62a_200012276598_100102629194 [1,1,0,0,0,0|1,0,1]=4 3755 B12R0.47 C=CCCCC(=O)C/C=C/CCC 1458a_200016266809_100000757094 [1,1,0,0,0,0|1,0,1]=4 3756 B12R0.47 C=CCCCC(=O)C=CCCCC 1458a_100016266645_100000757094 [1,1,0,0,0,0|1,0,1]=4 3757 B12R0.47 C=CCCCC(=O)CC/C=C\CC 1458a_100000766728_100015370543 [1,1,0,0,0,0|1,0,1]=4 3758 B12R0.47 C=CCCCC(=O)CCCCC#N 1458a_100000766728_100000211819 [1,1,0,0,0,0|1,0,1]=4 3759 B12R0.47 C=CCCCC(=O)CCCCCC 1458a_100000766728_100000210757 [1,1,0,0,0,0|1,0,0]=3 3760 B12R0.47 C=CCCCC(=O)CCCCCC 1458a_100102632555_100000757094 [1,1,0,0,0,0|1,0,0]=3 3761 B12R0.47 C=CCCCC(=O)CCCCCF 1458a_100000766728_100000729378 [1,1,0,0,0,0|1,0,0]=3 3762 B12R0.47 C=CCCCC(=O)CCCCCO 1458a_100000766728_100000746330 [1,1,0,0,0,0|1,0,0]=3 3763 B12R0.47 C=CCCCC(=O)CCCCCO 1458a_100102619762_100000757094 [1,1,0,0,0,0|1,0,0]=3 3764 B12R0.47 C=CCCCC(=O)CCCCOC 1458a_100000766728_100000755781 [1,1,0,0,0,0|1,0,0]=3 3765 B12R0.47 C=CCCCC(=O)CCCOCC 1458a_100000766728_100012232248 [1,1,0,0,0,0|1,0,0]=3 3766 B12R0.47 C=CCCCC(=O)CCOCCC 1458a_100000766728_100011215938 [1,1,0,0,0,0|1,0,0]=3 3767 B12R0.47 C=CCCCC(=O)CCOCCO 1458a_100000766728_100011215305 [1,1,0,0,0,0|2,0,0]=4 3768 B12R0.47 C=CCCCC(=O)CCOCCO 1458a_100011229844_100000757094 [1,1,0,0,0,0|2,0,0]=4 3769 B12R0.47 C=CCCCC(=O)COCCCC 1458a_100000757543_100000757094 [1,1,0,0,0,0|1,0,0]=3 3770 B12R0.47 C=CCCCC(=O)COCCCC 1458a_100000766728_100011995733 [1,1,0,0,0,0|1,0,0]=3 3771 B12R0.47 C=CCCCC(=O)COCCOC 1458a_100000211095_100000757094 [1,1,0,0,0,0|2,0,0]=4 3772 B12R0.47 C=CCCCC(=O)CSCCCC 1458a_100000191162_100000757094 [1,1,0,0,0,0|1,0,0]=3 3773 B12R0.47 C=CCCCC(=O)NCCCCC 11a_100000209983_100000766728 [1,1,0,0,0,0|1,0,0]=3 3774 B12R0.47 C=CCCCC(=O)NCCCCC 1626a_100000209983_100000766728 [1,1,0,0,0,0|1,0,0]=3 3775 B12R0.47 C=CCCCC(=O)NCCCCC 240690a_100000209983_100000766728 [1,1,0,0,0,0|1,0,0]=3 3776 B12R0.47 C=CCCCC(=O)NCCCCC 527a_100000209983_100000766728 [1,1,0,0,0,0|1,0,0]=3 3777 B12R0.47 C=CCCCC(=O)NCCCCO 240690a_100000750430_100000766728 [1,1,0,0,0,0|2,0,0]=4 3778 B12R0.47 C=CCCCC(=O)NCCCCO 527a_100000750430_100000766728 [1,1,0,0,0,0|2,0,0]=4 3779 B12R0.47 C=CCCCC(=O)NCCCOC 1626a_100150723488_100000766728 [1,1,0,0,0,0|2,0,0]=4 3780 B12R0.47 C=CCCCC(=O)NCCCOC 240690a_100150723488_100000766728 [1,1,0,0,0,0|2,0,0]=4 3781 B12R0.47 C=CCCCC(=O)NCCCOC 527a_100150723488_100000766728 [1,1,0,0,0,0|2,0,0]=4 3782 B12R0.47 C=CCCCC(=O)NCCCSC 11a_100000749238_100000766728 [1,1,0,0,0,0|2,0,0]=4 3783 B12R0.47 C=CCCCC(=O)NCCCSC 1626a_100000749238_100000766728 [1,1,0,0,0,0|2,0,0]=4 3784 B12R0.47 C=CCCCC(=O)NCCCSC 240690a_100000749238_100000766728 [1,1,0,0,0,0|2,0,0]=4 3785 B12R0.47 C=CCCCC(=O)NCCCSC 527a_100000749238_100000766728 [1,1,0,0,0,0|2,0,0]=4 3786 B12R0.47 C=CCCCC(=O)NCCOCC 11a_100011200944_100000766728 [1,1,0,0,0,0|2,0,0]=4 3787 B12R0.47 C=CCCCC(=O)NCCOCC 1626a_102516460346_100000766728 [1,1,0,0,0,0|2,0,0]=4 3788 B12R0.47 C=CCCCC(=O)NCCOCC 240690a_100011200944_100000766728 [1,1,0,0,0,0|2,0,0]=4 3789 B12R0.47 C=CCCCC(=O)NCCOCC 527a_100011200944_100000766728 [1,1,0,0,0,0|2,0,0]=4 3790 B12R0.47 C=CCCCC(=O)NCCSCC 11a_100000106463_100000766728 [1,1,0,0,0,0|2,0,0]=4 3791 B12R0.47 C=CCCCC(=O)NCCSCC 1626a_100000106463_100000766728 [1,1,0,0,0,0|2,0,0]=4 3792 B12R0.47 C=CCCCC(=O)NCCSCC 240690a_100000106463_100000766728 [1,1,0,0,0,0|2,0,0]=4 3793 B12R0.47 C=CCCCC(=O)NCCSCC 527a_100000106463_100000766728 [1,1,0,0,0,0|2,0,0]=4 3794 B12R0.47 C=CCCCC(=O)NNCCCC 22a_100025702795_100000766728 [1,1,0,0,0,0|2,0,0]=4 3795 B12R0.47 C=CCCCCC(=O)CCCC=C 1458a_100000766728_100011215482 [1,1,0,0,0,0|1,0,1]=4 3796 B12R0.47 C=CCCCCC(=O)CCCC=C 1458a_100011215552_100000757094 [1,1,0,0,0,0|1,0,1]=4 3797 B12R0.47 C=CCCCCC(=O)CCCCC 1458a_100000212188_100011215482 [1,1,0,0,0,0|1,0,0]=3 3798 B12R0.47 C=CCCCCC(=O)CCCCC 1458a_100011215552_100000210326 [1,1,0,0,0,0|1,0,0]=3 3799 B12R0.47 C=CCCCCC(=O)CCCCF 1458a_100011215552_100000729493 [1,1,0,0,0,0|2,0,0]=4 3800 B12R0.47 C=CCCCCC(=O)CCCCO 1458a_100000695505_100011215482 [1,1,0,0,0,0|0,0,2]=4 3801 B12R0.47 C=CCCCCC(=O)CCCCO 1458a_100011215552_100000210776 [1,1,0,0,0,0|0,0,2]=4 3802 B12R0.47 C=CCCCCC(=O)CCCOC 1458a_100000741012_100011215482 [1,1,0,0,0,0|2,0,0]=4 3803 B12R0.47 C=CCCCCC(=O)CCCOC 1458a_100011215552_100000740836 [1,1,0,0,0,0|2,0,0]=4 3804 B12R0.47 C=CCCCCC(=O)CCCSC 1458a_100000173376_100011215482 [1,1,0,0,0,0|2,0,0]=4 3805 B12R0.47 C=CCCCCC(=O)CCOCC 1458a_100000749530_100011215482 [1,1,0,0,0,0|2,0,0]=4 3806 B12R0.47 C=CCCCCC(=O)CCOCC 1458a_100011215552_100011215890 [1,1,0,0,0,0|2,0,0]=4 3807 B12R0.47 C=CCCCCC(=O)CCSCC 1458a_100000230768_100011215482 [1,1,0,0,0,0|2,0,0]=4 3808 B12R0.47 C=CCCCCC(=O)CCSCC 1458a_100011215552_100000757381 [1,1,0,0,0,0|2,0,0]=4 3809 B12R0.47 C=CCCCCC(=O)COCCC 1458a_100000745993_100011215482 [1,1,0,0,0,0|2,0,0]=4 3810 B12R0.47 C=CCCCCC(=O)CSCCC 1458a_100000217233_100011215482 [1,1,0,0,0,0|2,0,0]=4 3811 B12R0.47 C=CCCCCC(=O)NCCCC 11a_100000102301_100011215552 [1,1,0,0,0,0|2,0,0]=4 3812 B12R0.47 C=CCCCCC(=O)NCCCC 1626a_100000102301_100011215552 [1,1,0,0,0,0|2,0,0]=4 3813 B12R0.47 C=CCCCCC(=O)NCCCC 240690a_100000102301_100011215552 [1,1,0,0,0,0|2,0,0]=4 3814 B12R0.47 C=CCCCCC(=O)NCCCC 527a_100000102301_100011215552 [1,1,0,0,0,0|2,0,0]=4 3815 B12R0.47 C=CCCCNC(=O)CCCCC 11a_100000700776_100000212188 [1,1,0,0,0,0|1,0,0]=3 3816 B12R0.47 C=CCCCNC(=O)CCCCC 1626a_100000700776_100000212188 [1,1,0,0,0,0|1,0,0]=3 3817 B12R0.47 C=CCCCNC(=O)CCCCC 240690a_100000700776_100000212188 [1,1,0,0,0,0|1,0,0]=3 3818 B12R0.47 C=CCCCNC(=O)CCCCC 527a_100000700776_100000212188 [1,1,0,0,0,0|1,0,0]=3 3819 B12R0.47 C=CCCCNC(=O)CCCCO 1626a_100000700776_100000695505 [1,1,0,0,0,0|2,0,0]=4 3820 B12R0.47 C=CCCCNC(=O)CCCOC 11a_100000700776_100000741012 [1,1,0,0,0,0|2,0,0]=4 3821 B12R0.47 C=CCCCNC(=O)CCCOC 1626a_100000700776_100000741012 [1,1,0,0,0,0|2,0,0]=4 3822 B12R0.47 C=CCCCNC(=O)CCCOC 240690a_100000700776_100000741012 [1,1,0,0,0,0|2,0,0]=4 3823 B12R0.47 C=CCCCNC(=O)CCCOC 527a_100000700776_100000741012 [1,1,0,0,0,0|2,0,0]=4 3824 B12R0.47 C=CCCCNC(=O)CCCSC 11a_100000700776_100000173376 [1,1,0,0,0,0|2,0,0]=4 3825 B12R0.47 C=CCCCNC(=O)CCCSC 1626a_100000700776_100000173376 [1,1,0,0,0,0|2,0,0]=4 3826 B12R0.47 C=CCCCNC(=O)CCCSC 240690a_100000700776_100000173376 [1,1,0,0,0,0|2,0,0]=4 3827 B12R0.47 C=CCCCNC(=O)CCCSC 527a_100000700776_100000173376 [1,1,0,0,0,0|2,0,0]=4 3828 B12R0.47 C=CCCCNC(=O)CCOCC 11a_100000700776_100000749530 [1,1,0,0,0,0|2,0,0]=4 3829 B12R0.47 C=CCCCNC(=O)CCOCC 1626a_100000700776_100000749530 [1,1,0,0,0,0|2,0,0]=4 3830 B12R0.47 C=CCCCNC(=O)CCOCC 240690a_100000700776_100000749530 [1,1,0,0,0,0|2,0,0]=4 3831 B12R0.47 C=CCCCNC(=O)CCOCC 527a_100000700776_100000749530 [1,1,0,0,0,0|2,0,0]=4 3832 B12R0.47 C=CCCCNC(=O)CCSCC 11a_100000700776_100000230768 [1,1,0,0,0,0|2,0,0]=4 3833 B12R0.47 C=CCCCNC(=O)CCSCC 1626a_100000700776_100000230768 [1,1,0,0,0,0|2,0,0]=4 3834 B12R0.47 C=CCCCNC(=O)CCSCC 240690a_100000700776_100000230768 [1,1,0,0,0,0|2,0,0]=4 3835 B12R0.47 C=CCCCNC(=O)CCSCC 527a_100000700776_100000230768 [1,1,0,0,0,0|2,0,0]=4 3836 B12R0.47 C=CCCCNC(=O)COCCC 11a_100000700776_100000745993 [1,1,0,0,0,0|2,0,0]=4 3837 B12R0.47 C=CCCCNC(=O)COCCC 1626a_100000700776_100000745993 [1,1,0,0,0,0|2,0,0]=4 3838 B12R0.47 C=CCCCNC(=O)COCCC 240690a_100000700776_100000745993 [1,1,0,0,0,0|2,0,0]=4 3839 B12R0.47 C=CCCCNC(=O)COCCC 527a_100000700776_100000745993 [1,1,0,0,0,0|2,0,0]=4 3840 B12R0.47 C=CCCCNC(=O)CSCCC 11a_100000700776_100000217233 [1,1,0,0,0,0|2,0,0]=4 3841 B12R0.47 C=CCCCNC(=O)CSCCC 1626a_100000700776_100000217233 [1,1,0,0,0,0|2,0,0]=4 3842 B12R0.47 C=CCCCNC(=O)CSCCC 240690a_100000700776_100000217233 [1,1,0,0,0,0|2,0,0]=4 3843 B12R0.47 C=CCCCNC(=O)CSCCC 527a_100000700776_100000217233 [1,1,0,0,0,0|2,0,0]=4 3844 B12R0.47 C=CCCCNC(=O)NCCCC 2708a_100000102301_100000700776 [1,1,0,0,0,0|2,0,0]=4 3845 B12R0.47 C=CCCCNC(=O)NCCCC 2708a_100000700776_100000102301 [1,1,0,0,0,0|2,0,0]=4 3846 B12R0.47 C=CCCCNC(=O)NCCCC 273464a_100000102301_100000700776 [1,1,0,0,0,0|2,0,0]=4 3847 B12R0.47 C=CCCCNC(=O)NCCCC 273464a_100000700776_100000102301 [1,1,0,0,0,0|2,0,0]=4 3848 B12R0.47 C=CCCCNC(=O)NCCCC 512a_100000102301_100000700776 [1,1,0,0,0,0|2,0,0]=4 3849 B12R0.47 C=CCCCNC(=O)NCCCC 512a_100000700776_100000102301 [1,1,0,0,0,0|2,0,0]=4 3850 B12R0.47 C=CCCNC(=O)CCCCCC 11a_100015191253_100102632555 [1,1,0,0,0,0|2,0,0]=4 3851 B12R0.47 C=CCCNC(=O)CCCCCC 1626a_100015191253_100102632555 [1,1,0,0,0,0|2,0,0]=4 3852 B12R0.47 C=CCCNC(=O)CCCCCC 240690a_100015191253_100102632555 [1,1,0,0,0,0|2,0,0]=4 3853 B12R0.47 C=CCCNC(=O)CCCCCC 527a_100015191253_100102632555 [1,1,0,0,0,0|2,0,0]=4 3854 B12R0.47 C=CCCNC(=O)CCCCCO 240690a_100015191253_100102619762 [1,1,0,0,0,0|2,0,0]=4 3855 B12R0.47 C=CCCNC(=O)COCCCC 11a_100015191253_100000757543 [1,1,0,0,0,0|2,0,0]=4 3856 B12R0.47 C=CCCNC(=O)COCCCC 1626a_100015191253_100000757543 [1,1,0,0,0,0|2,0,0]=4 3857 B12R0.47 C=CCCNC(=O)COCCCC 240690a_100015191253_100000757543 [1,1,0,0,0,0|2,0,0]=4 3858 B12R0.47 C=CCCNC(=O)COCCCC 527a_100015191253_100000757543 [1,1,0,0,0,0|2,0,0]=4 3859 B12R0.47 C=CCCNC(=O)CSCCCC 11a_100015191253_100000191162 [1,1,0,0,0,0|2,0,0]=4 3860 B12R0.47 C=CCCNC(=O)CSCCCC 1626a_100015191253_100000191162 [1,1,0,0,0,0|2,0,0]=4 3861 B12R0.47 C=CCCNC(=O)CSCCCC 240690a_100015191253_100000191162 [1,1,0,0,0,0|2,0,0]=4 3862 B12R0.47 C=CCCNC(=O)CSCCCC 527a_100015191253_100000191162 [1,1,0,0,0,0|2,0,0]=4 3863 B12R0.47 C=CCCNC(=O)NCCCCC 2708a_100000209983_100015191253 [1,1,0,0,0,0|2,0,0]=4 3864 B12R0.47 C=CCCNC(=O)NCCCCC 2708a_100015191253_100000209983 [1,1,0,0,0,0|2,0,0]=4 3865 B12R0.47 C=CCCNC(=O)NCCCCC 273464a_100000209983_100015191253 [1,1,0,0,0,0|2,0,0]=4 3866 B12R0.47 C=CCCNC(=O)NCCCCC 273464a_100015191253_100000209983 [1,1,0,0,0,0|2,0,0]=4 3867 B12R0.47 C=CCCNC(=O)NCCCCC 512a_100000209983_100015191253 [1,1,0,0,0,0|2,0,0]=4 3868 B12R0.47 C=CCCNC(=O)NCCCCC 512a_100015191253_100000209983 [1,1,0,0,0,0|2,0,0]=4 3869 B12R0.47 C=CCCNCC(=O)CCCCC 2230a_100015191253_200012276598 [1,1,0,0,0,0|1,0,0]=3 3870 B12R0.47 C=CCCNCC(=O)NCCCC 2230a_100015191253_100000182744 [1,1,0,0,0,0|2,0,0]=4 3871 B12R0.47 C=CCCNCC(=O)OCCCC 2230a_100015191253_100000211628 [1,1,0,0,0,0|2,0,0]=4 3872 B12R0.47 C=CCCOCC(=O)CCCCC 34a_100011205117_200012276598 [1,1,0,0,0,0|1,0,0]=3 3873 B12R0.47 C=CCCOCC(=O)NCCCC 34a_100011205117_100000182744 [1,1,0,0,0,0|2,0,0]=4 3874 B12R0.47 C=CCCOCC(=O)OCCCC 34a_100011205117_100000211628 [1,1,0,0,0,0|2,0,0]=4 3875 B12R0.47 C=CCCSCC(=O)CCCCC 62a_100000754431_200012276598 [1,1,0,0,0,0|1,0,0]=3 3876 B12R0.47 C=CCCSCC(=O)CCCCC 62a_200012276598_100000754431 [1,1,0,0,0,0|1,0,0]=3 3877 B12R0.47 C=CCCSCC(=O)NCCCC 62a_100000182744_100000754431 [1,1,0,0,0,0|2,0,0]=4 3878 B12R0.47 C=CCCSCC(=O)NCCCC 62a_100000754431_100000182744 [1,1,0,0,0,0|2,0,0]=4 3879 B12R0.47 C=CCCSCC(=O)OCCCC 62a_100000211628_100000754431 [1,1,0,0,0,0|2,0,0]=4 3880 B12R0.47 C=CCCSCC(=O)OCCCC 62a_100000754431_100000211628 [1,1,0,0,0,0|2,0,0]=4 3881 B12R0.47 C=CCNCC(=O)NCCCCC 2230a_100020586998_100000230301 [1,1,0,0,0,0|2,0,0]=4 3882 B12R0.47 C=CCOCC(=O)NCCCCC 34a_200000210373_100000230301 [1,1,0,0,0,0|2,0,0]=4 3883 B12R0.47 C=CCOCCC(=O)CCCCC 1458a_200011217002_100000210326 [1,1,0,0,0,0|1,0,0]=3 3884 B12R0.47 C=CCOCCC(=O)CCCCF 1458a_200011217002_100000729493 [1,1,0,0,0,0|2,0,0]=4 3885 B12R0.47 C=CCOCCC(=O)CCCCO 1458a_200011217002_100000210776 [1,1,0,0,0,0|2,0,0]=4 3886 B12R0.47 C=CCOCCC(=O)CCCOC 1458a_200011217002_100000740836 [1,1,0,0,0,0|2,0,0]=4 3887 B12R0.47 C=CCOCCC(=O)CCOCC 1458a_200011217002_100011215890 [1,1,0,0,0,0|2,0,0]=4 3888 B12R0.47 C=CCOCCC(=O)CCSCC 1458a_200011217002_100000757381 [1,1,0,0,0,0|2,0,0]=4 3889 B12R0.47 C=CCOCCC(=O)NCCCC 11a_100000102301_200011217002 [1,1,0,0,0,0|2,0,0]=4 3890 B12R0.47 C=CCOCCC(=O)NCCCC 1626a_100000102301_200011217002 [1,1,0,0,0,0|2,0,0]=4 3891 B12R0.47 C=CCOCCC(=O)NCCCC 240690a_100000102301_200011217002 [1,1,0,0,0,0|2,0,0]=4 3892 B12R0.47 C=CCOCCC(=O)NCCCC 527a_100000102301_200011217002 [1,1,0,0,0,0|2,0,0]=4 3893 B12R0.47 C=CCSCC(=O)CCCCCC 1458a_100000230395_100000210757 [1,1,0,0,0,0|2,0,0]=4 3894 B12R0.47 C=CCSCC(=O)CCCCCF 1458a_100000230395_100000729378 [1,1,0,0,0,0|2,0,0]=4 3895 B12R0.47 C=CCSCC(=O)CCCCCO 1458a_100000230395_100000746330 [1,1,0,0,0,0|2,0,0]=4 3896 B12R0.47 C=CCSCC(=O)CCCCOC 1458a_100000230395_100000755781 [1,1,0,0,0,0|2,0,0]=4 3897 B12R0.47 C=CCSCC(=O)CCCOCC 1458a_100000230395_100012232248 [1,1,0,0,0,0|2,0,0]=4 3898 B12R0.47 C=CCSCC(=O)CCOCCC 1458a_100000230395_100011215938 [1,1,0,0,0,0|2,0,0]=4 3899 B12R0.47 C=CCSCC(=O)COCCCC 1458a_100000230395_100011995733 [1,1,0,0,0,0|2,0,0]=4 3900 B12R0.47 C=CCSCC(=O)NCCCCC 11a_100000209983_100000230395 [1,1,0,0,0,0|2,0,0]=4 3901 B12R0.47 C=CCSCC(=O)NCCCCC 1626a_100000209983_100000230395 [1,1,0,0,0,0|2,0,0]=4 3902 B12R0.47 C=CCSCC(=O)NCCCCC 240690a_100000209983_100000230395 [1,1,0,0,0,0|2,0,0]=4 3903 B12R0.47 C=CCSCC(=O)NCCCCC 527a_100000209983_100000230395 [1,1,0,0,0,0|2,0,0]=4 3904 B12R0.47 C=CCSCC(=O)NCCCCC 62a_100000210623_100000230301 [1,1,0,0,0,0|2,0,0]=4 3905 B12R0.47 C=CCSCC(=O)NCCCCC 62a_100000230301_100000210623 [1,1,0,0,0,0|2,0,0]=4 3906 B12R0.47 C=COCCC(=O)CCCCCC 1458a_100102632555_100000039644 [1,1,0,0,0,0|2,0,0]=4 3907 B12R0.47 C=COCCC(=O)CCCCCO 1458a_100102619762_100000039644 [1,1,0,0,0,0|2,0,0]=4 3908 B12R0.47 C=COCCC(=O)COCCCC 1458a_100000757543_100000039644 [1,1,0,0,0,0|2,0,0]=4 3909 B12R0.47 C=COCCC(=O)CSCCCC 1458a_100000191162_100000039644 [1,1,0,0,0,0|2,0,0]=4 3910 B12R0.47 CC/C=C\CCC(=O)CCCCC 1458a_100000212188_100015370543 [1,1,0,0,0,0|1,0,1]=4 3911 B12R0.47 CC/C=C\CCC(=O)CCCCO 1458a_100000695505_100015370543 [1,1,0,0,0,0|0,0,2]=4 3912 B12R0.47 CC=CCSCC(=O)CCCCC 62a_100000070051_200012276598 [1,1,0,0,0,0|1,0,1]=4 3913 B12R0.47 CC=CCSCC(=O)CCCCC 62a_200012276598_100000070051 [1,1,0,0,0,0|1,0,1]=4 3914 B12R0.47 CCC/C=C/CC(=O)CCCCO 1458a_200016266809_100000210776 [1,1,0,0,0,0|0,0,2]=4 3915 B12R0.47 CCCCC=CC(=O)CCCCO 1458a_100016266645_100000210776 [1,1,0,0,0,0|0,0,2]=4 3916 B12R0.47 CCCCCC(=O)CCCCC#N 1458a_100000212188_100000211819 [1,1,0,0,0,0|1,0,1]=4 3917 B12R0.47 CCCCCC(=O)CCCCCF 1458a_100000212188_100000729378 [1,1,0,0,0,0|1,0,1]=4 3918 B12R0.47 CCCCCC(=O)CCCCCO 1458a_100000212188_100000746330 [1,1,0,0,0,0|0,0,1]=3 3919 B12R0.47 CCCCCC(=O)CCCCCO 1458a_100102619762_100000210326 [1,1,0,0,0,0|0,0,1]=3 3920 B12R0.47 CCCCCC(=O)CCCCOC 1458a_100000212188_100000755781 [1,1,0,0,0,0|0,0,1]=3 3921 B12R0.47 CCCCCC(=O)CCCN=[N+]=[N-] 1458a_100010262590_100000210326 [1,1,0,0,0,0|2,0,0]=4 3922 B12R0.47 CCCCCC(=O)CCCOCC 1458a_100000212188_100012232248 [1,1,0,0,0,0|1,0,1]=4 3923 B12R0.47 CCCCCC(=O)CCOCC#N 1458a_100000212188_200000047693 [1,1,0,0,0,0|1,0,1]=4 3924 B12R0.47 CCCCCC(=O)CCOCCC 1458a_100000212188_100011215938 [1,1,0,0,0,0|1,0,1]=4 3925 B12R0.47 CCCCCC(=O)CCOCCO 1458a_100000212188_100011215305 [1,1,0,0,0,0|0,0,1]=3 3926 B12R0.47 CCCCCC(=O)CCOCCO 1458a_100011229844_100000210326 [1,1,0,0,0,0|0,0,1]=3 3927 B12R0.47 CCCCCC(=O)CNCCCC 2230a_100000102301_200012276598 [1,1,0,0,0,0|1,0,1]=4 3928 B12R0.47 CCCCCC(=O)CNCCCC 7a_106832991798_200012276598 [1,1,0,0,0,0|1,0,1]=4 3929 B12R0.47 CCCCCC(=O)CNCCCF 2230a_100015189416_200012276598 [1,1,0,0,0,0|1,0,1]=4 3930 B12R0.47 CCCCCC(=O)CNCCCF 34a_100015189416_200012276598 [1,1,0,0,0,0|1,0,1]=4 3931 B12R0.47 CCCCCC(=O)CNCCOC 2230a_100000209980_200012276598 [1,1,0,0,0,0|1,0,1]=4 3932 B12R0.47 CCCCCC(=O)CNCCSC 2230a_100020590264_200012276598 [1,1,0,0,0,0|2,0,0]=4 3933 B12R0.47 CCCCCC(=O)COCCCBr 34a_100011217188_200012276598 [1,1,0,0,0,0|1,0,1]=4 3934 B12R0.47 CCCCCC(=O)COCCCC 1458a_100000212188_100011995733 [1,1,0,0,0,0|1,0,1]=4 3935 B12R0.47 CCCCCC(=O)COCCCC 1458a_100000757543_100000210326 [1,1,0,0,0,0|1,0,1]=4 3936 B12R0.47 CCCCCC(=O)COCCCC 34a_100000210227_200012276598 [1,1,0,0,0,0|1,0,1]=4 3937 B12R0.47 CCCCCC(=O)COCCCC 7a_100000210227_200012276598 [1,1,0,0,0,0|1,0,1]=4 3938 B12R0.47 CCCCCC(=O)COCCCCl 34a_100000230001_200012276598 [1,1,0,0,0,0|1,0,1]=4 3939 B12R0.47 CCCCCC(=O)COCCCF 34a_100000759539_200012276598 [1,1,0,0,0,0|1,0,1]=4 3940 B12R0.47 CCCCCC(=O)COCCCN 34a_100000182051_200012276598 [1,1,0,0,0,0|1,0,1]=4 3941 B12R0.47 CCCCCC(=O)COCCOC 1458a_100000211095_100000210326 [1,1,0,0,0,0|1,0,1]=4 3942 B12R0.47 CCCCCC(=O)COCCOC 34a_100000210237_200012276598 [1,1,0,0,0,0|1,0,1]=4 3943 B12R0.47 CCCCCC(=O)COCCON 34a_100000700252_200012276598 [1,1,0,0,0,0|1,0,1]=4 3944 B12R0.47 CCCCCC(=O)COCCSC 34a_100000230434_200012276598 [1,1,0,0,0,0|2,0,0]=4 3945 B12R0.47 CCCCCC(=O)COCCSC 7a_100000230434_200012276598 [1,1,0,0,0,0|2,0,0]=4 3946 B12R0.47 CCCCCC(=O)CSCCC#N 62a_100011215226_200012276598 [1,1,0,0,0,0|1,0,1]=4 3947 B12R0.47 CCCCCC(=O)CSCCC#N 62a_200012276598_100011215226 [1,1,0,0,0,0|1,0,1]=4 3948 B12R0.47 CCCCCC(=O)CSCCCC 1458a_100000191162_100000210326 [1,1,0,0,0,0|1,0,1]=4 3949 B12R0.47 CCCCCC(=O)CSCCCC 62a_100000210211_200012276598 [1,1,0,0,0,0|1,0,1]=4 3950 B12R0.47 CCCCCC(=O)CSCCCC 62a_200012276598_100000210210 [1,1,0,0,0,0|1,0,1]=4 3951 B12R0.47 CCCCCC(=O)CSCCCF 62a_100011934791_200012276598 [1,1,0,0,0,0|1,0,1]=4 3952 B12R0.47 CCCCCC(=O)CSCCCF 62a_200012276598_100011934791 [1,1,0,0,0,0|1,0,1]=4 3953 B12R0.47 CCCCCC(=O)CSCCCO 62a_100011215043_200012276598 [1,1,0,0,0,0|0,0,1]=3 3954 B12R0.47 CCCCCC(=O)CSCCCO 62a_200012276598_100011215043 [1,1,0,0,0,0|0,0,1]=3 3955 B12R0.47 CCCCCC(=O)CSCCOC 62a_100000233755_200012276598 [1,1,0,0,0,0|1,0,1]=4 3956 B12R0.47 CCCCCC(=O)CSCCOC 62a_200012276598_100000233755 [1,1,0,0,0,0|1,0,1]=4 3957 B12R0.47 CCCCCC(=O)CSCCSC 62a_100000212216_200012276598 [1,1,0,0,0,0|2,0,0]=4 3958 B12R0.47 CCCCCC(=O)CSCCSC 62a_200012276598_100000751147 [1,1,0,0,0,0|2,0,0]=4 3959 B12R0.47 CCCCCC(=O)NCCCCO 240690a_100000750430_100000212188 [1,1,0,0,0,0|0,0,1]=3 3960 B12R0.47 CCCCCC(=O)NCCCCO 527a_100000750430_100000212188 [1,1,0,0,0,0|0,0,1]=3 3961 B12R0.47 CCCCCC(=O)NCCCOC 1626a_100150723488_100000212188 [1,1,0,0,0,0|1,0,1]=4 3962 B12R0.47 CCCCCC(=O)NCCCOC 240690a_100150723488_100000212188 [1,1,0,0,0,0|1,0,1]=4 3963 B12R0.47 CCCCCC(=O)NCCCOC 527a_100150723488_100000212188 [1,1,0,0,0,0|1,0,1]=4 3964 B12R0.47 CCCCCC(=O)NCCCSC 11a_100000749238_100000212188 [1,1,0,0,0,0|2,0,0]=4 3965 B12R0.47 CCCCCC(=O)NCCCSC 1626a_100000749238_100000212188 [1,1,0,0,0,0|2,0,0]=4 3966 B12R0.47 CCCCCC(=O)NCCCSC 240690a_100000749238_100000212188 [1,1,0,0,0,0|2,0,0]=4 3967 B12R0.47 CCCCCC(=O)NCCCSC 527a_100000749238_100000212188 [1,1,0,0,0,0|2,0,0]=4 3968 B12R0.47 CCCCCC(C)NCCCC=O 2230a_100000211957_200011292268 [1,1,0,0,0,0|1,0,1]=4 3969 B12R0.47 CCCCCC(C)OCCCC=O 7a_100011215632_200011292268 [1,1,0,0,0,0|1,0,1]=4 3970 B12R0.47 CCCCCC(C)SCCCC=O 62a_200011218191_200011292268 [1,1,0,0,0,0|1,0,1]=4 3971 B12R0.47 CCCCCC(C)SCCCC=O 62a_200011292268_200011218191 [1,1,0,0,0,0|1,0,1]=4 3972 B12R0.47 CCCCCCC(=O)CCCC#N 1458a_100000075515_100000210757 [1,1,0,0,0,0|1,0,1]=4 3973 B12R0.47 CCCCCCC(=O)CCCC#N 1458a_100102632555_100000211468 [1,1,0,0,0,0|1,0,1]=4 3974 B12R0.47 CCCCCCC(=O)CCCCC 1458a_100000212188_100000210757 [1,1,0,0,0,0|1,0,1]=4 3975 B12R0.47 CCCCCCC(=O)CCCCC 1458a_100102632555_100000210326 [1,1,0,0,0,0|1,0,1]=4 3976 B12R0.47 CCCCCCC(=O)CCCCF 1458a_100102632555_100000729493 [1,1,0,0,0,0|1,0,1]=4 3977 B12R0.47 CCCCCCC(=O)CCCCO 1458a_100000695505_100000210757 [1,1,0,0,0,0|0,0,1]=3 3978 B12R0.47 CCCCCCC(=O)CCCCO 1458a_100102632555_100000210776 [1,1,0,0,0,0|0,0,1]=3 3979 B12R0.47 CCCCCCC(=O)CCCOC 1458a_100000741012_100000210757 [1,1,0,0,0,0|2,0,0]=4 3980 B12R0.47 CCCCCCC(=O)CCCOC 1458a_100102632555_100000740836 [1,1,0,0,0,0|2,0,0]=4 3981 B12R0.47 CCCCCCC(=O)CCCSC 1458a_100000173376_100000210757 [1,1,0,0,0,0|2,0,0]=4 3982 B12R0.47 CCCCCCC(=O)COCCO 1458a_100000708028_100000210757 [1,1,0,0,0,0|1,0,1]=4 3983 B12R0.47 CCCCCCC(=O)NCCCO 240690a_100000182051_100102632555 [1,1,0,0,0,0|1,0,1]=4 3984 B12R0.47 CCCCCCC(=O)NCCCO 527a_100000182051_100102632555 [1,1,0,0,0,0|1,0,1]=4 3985 B12R0.47 CCCCCCN(C)CCCC=O 2230a_106256046315_200011292268 [1,1,0,0,0,0|2,0,0]=4 3986 B12R0.47 CCCCCCN(C)CCCC=O 269982a_106256046315_200011292268 [1,1,0,0,0,0|2,0,0]=4 3987 B12R0.47 CCCCCN(C)CCCCC=O 2230a_100000223495_100000139335 [1,1,0,0,0,0|2,0,0]=4 3988 B12R0.47 CCCCCN(C)CCCCC=O 269982a_100000223495_100000139335 [1,1,0,0,0,0|2,0,0]=4 3989 B12R0.47 CCCCCNC(=O)CCCC#N 11a_100000209983_100000075515 [1,1,0,0,0,0|1,0,1]=4 3990 B12R0.47 CCCCCNC(=O)CCCC#N 1626a_100000209983_100000075515 [1,1,0,0,0,0|1,0,1]=4 3991 B12R0.47 CCCCCNC(=O)CCCC#N 240690a_100000209983_100000075515 [1,1,0,0,0,0|1,0,1]=4 3992 B12R0.47 CCCCCNC(=O)CCCC#N 527a_100000209983_100000075515 [1,1,0,0,0,0|1,0,1]=4 3993 B12R0.47 CCCCCNC(=O)CCCCC 11a_100000209983_100000212188 [1,1,0,0,0,0|1,0,1]=4 3994 B12R0.47 CCCCCNC(=O)CCCCC 1626a_100000209983_100000212188 [1,1,0,0,0,0|1,0,1]=4 3995 B12R0.47 CCCCCNC(=O)CCCCC 240690a_100000209983_100000212188 [1,1,0,0,0,0|1,0,1]=4 3996 B12R0.47 CCCCCNC(=O)CCCCC 527a_100000209983_100000212188 [1,1,0,0,0,0|1,0,1]=4 3997 B12R0.47 CCCCCNC(=O)CCCCO 1626a_100000209983_100000695505 [1,1,0,0,0,0|0,0,1]=3 3998 B12R0.47 CCCCCNC(=O)CCCOC 11a_100000209983_100000741012 [1,1,0,0,0,0|2,0,0]=4 3999 B12R0.47 CCCCCNC(=O)CCCOC 1626a_100000209983_100000741012 [1,1,0,0,0,0|2,0,0]=4 4000 B12R0.47 CCCCCNC(=O)CCCOC 240690a_100000209983_100000741012 [1,1,0,0,0,0|2,0,0]=4 4001 B12R0.47 CCCCCNC(=O)CCCOC 527a_100000209983_100000741012 [1,1,0,0,0,0|2,0,0]=4 4002 B12R0.47 CCCCCNC(=O)CCCSC 11a_100000209983_100000173376 [1,1,0,0,0,0|2,0,0]=4 4003 B12R0.47 CCCCCNC(=O)CCCSC 1626a_100000209983_100000173376 [1,1,0,0,0,0|2,0,0]=4 4004 B12R0.47 CCCCCNC(=O)CCCSC 240690a_100000209983_100000173376 [1,1,0,0,0,0|2,0,0]=4 4005 B12R0.47 CCCCCNC(=O)CCCSC 527a_100000209983_100000173376 [1,1,0,0,0,0|2,0,0]=4 4006 B12R0.47 CCCCCNC(=O)CNCCO 2230a_100016997473_100000230301 [1,1,0,0,0,0|1,0,1]=4 4007 B12R0.47 CCCCCNC(=O)CNCCO 34a_100016990907_100000230301 [1,1,0,0,0,0|1,0,1]=4 4008 B12R0.47 CCCCCNC(=O)COCCO 1626a_100000209983_100000708028 [1,1,0,0,0,0|1,0,1]=4 4009 B12R0.47 CCCCCNC(=O)COCCO 240690a_100000209983_100000708028 [1,1,0,0,0,0|1,0,1]=4 4010 B12R0.47 CCCCCNC(=O)CSCC=O 62a_100000230301_200015260668 [1,1,0,0,0,0|1,0,0]=3 4011 B12R0.47 CCCCCNC(=O)CSCC=O 62a_200015260668_100000230301 [1,1,0,0,0,0|1,0,0]=3 4012 B12R0.47 CCCCCNC(=O)CSCCO 62a_100000211926_100000230301 [1,1,0,0,0,0|1,0,1]=4 4013 B12R0.47 CCCCCNC(=O)CSCCO 62a_100000230301_100000211926 [1,1,0,0,0,0|1,0,1]=4 4014 B12R0.47 CCCCCNC(=O)NCCCO 2708a_100000209983_100000182051 [1,1,0,0,0,0|1,0,1]=4 4015 B12R0.47 CCCCCNC(=O)NCCCO 273464a_100000182051_100000209983 [1,1,0,0,0,0|1,0,1]=4 4016 B12R0.47 CCCCCNC(=O)NCCCO 273464a_100000209983_100000182051 [1,1,0,0,0,0|1,0,1]=4 4017 B12R0.47 CCCCCNC(=O)NCCCO 512a_100000209983_100000182051 [1,1,0,0,0,0|1,0,1]=4 4018 B12R0.47 CCCCNC(=O)CCCCCO 240690a_100000102301_100102619762 [1,1,0,0,0,0|1,0,1]=4 4019 B12R0.47 CCCCNC(=O)CCOCCO 1626a_100000102301_100011229844 [1,1,0,0,0,0|1,0,1]=4 4020 B12R0.47 CCCCNC(=O)CCOCCO 240690a_100000102301_100011229844 [1,1,0,0,0,0|1,0,1]=4 4021 B12R0.47 CCCCNC(=O)CSCCCO 62a_100000182744_100011215043 [1,1,0,0,0,0|1,0,1]=4 4022 B12R0.47 CCCCNC(=O)CSCCCO 62a_100011215043_100000182744 [1,1,0,0,0,0|1,0,1]=4 4023 B12R0.47 CCCCNC(=O)NCCCCO 2708a_100000102301_100000750430 [1,1,0,0,0,0|1,0,1]=4 4024 B12R0.47 CCCCNC(=O)NCCCCO 2708a_100000750430_100000102301 [1,1,0,0,0,0|1,0,1]=4 4025 B12R0.47 CCCCNC(=O)NCCCCO 273464a_100000102301_100000750430 [1,1,0,0,0,0|1,0,1]=4 4026 B12R0.47 CCCCNC(=O)NCCCCO 273464a_100000750430_100000102301 [1,1,0,0,0,0|1,0,1]=4 4027 B12R0.47 CCCCNC(=O)NCCCCO 512a_100000102301_100000750430 [1,1,0,0,0,0|1,0,1]=4 4028 B12R0.47 CCCCNC(=O)NCCCCO 512a_100000750430_100000102301 [1,1,0,0,0,0|1,0,1]=4 4029 B12R0.47 CCCCOC(=O)CSCCCO 62a_100000211628_100011215043 [1,1,0,0,0,0|1,0,1]=4 4030 B12R0.47 CCCCOC(=O)CSCCCO 62a_100011215043_100000211628 [1,1,0,0,0,0|1,0,1]=4 4031 B12R0.47 CCCCOCC(=O)CCCC#N 1458a_100000075515_100011995733 [1,1,0,0,0,0|1,0,1]=4 4032 B12R0.47 CCCCOCC(=O)CCCC#N 1458a_100000757543_100000211468 [1,1,0,0,0,0|1,0,1]=4 4033 B12R0.47 CCCCOCC(=O)CCCCF 1458a_100000757543_100000729493 [1,1,0,0,0,0|1,0,1]=4 4034 B12R0.47 CCCCOCC(=O)CCCCO 1458a_100000695505_100011995733 [1,1,0,0,0,0|0,0,1]=3 4035 B12R0.47 CCCCOCC(=O)CCCCO 1458a_100000757543_100000210776 [1,1,0,0,0,0|0,0,1]=3 4036 B12R0.47 CCCCOCC(=O)CCCOC 1458a_100000741012_100011995733 [1,1,0,0,0,0|2,0,0]=4 4037 B12R0.47 CCCCOCC(=O)CCCOC 1458a_100000757543_100000740836 [1,1,0,0,0,0|2,0,0]=4 4038 B12R0.47 CCCCOCC(=O)CCCSC 1458a_100000173376_100011995733 [1,1,0,0,0,0|2,0,0]=4 4039 B12R0.47 CCCCOCC(=O)COCCO 1458a_100000708028_100011995733 [1,1,0,0,0,0|1,0,1]=4 4040 B12R0.47 CCCCOCC(=O)NCCCO 240690a_100000182051_100000757543 [1,1,0,0,0,0|1,0,1]=4 4041 B12R0.47 CCCCOCC(=O)NCCCO 527a_100000182051_100000757543 [1,1,0,0,0,0|1,0,1]=4 4042 B12R0.47 CCCCSCC(=O)CCCC#N 1458a_100000191162_100000211468 [1,1,0,0,0,0|1,0,1]=4 4043 B12R0.47 CCCCSCC(=O)CCCCF 1458a_100000191162_100000729493 [1,1,0,0,0,0|1,0,1]=4 4044 B12R0.47 CCCCSCC(=O)CCCCO 1458a_100000191162_100000210776 [1,1,0,0,0,0|0,0,1]=3 4045 B12R0.47 CCCCSCC(=O)CCCOC 1458a_100000191162_100000740836 [1,1,0,0,0,0|2,0,0]=4 4046 B12R0.47 CCCCSCC(=O)NCCCO 240690a_100000182051_100000191162 [1,1,0,0,0,0|1,0,1]=4 4047 B12R0.47 CCCCSCC(=O)NCCCO 527a_100000182051_100000191162 [1,1,0,0,0,0|1,0,1]=4 4048 B12R0.47 CCCOCC(=O)CCCCCO 1458a_100000745993_100000746330 [1,1,0,0,0,0|1,0,1]=4 4049 B12R0.47 CCCOCC(=O)CCCCOC 1458a_100000745993_100000755781 [1,1,0,0,0,0|1,0,1]=4 4050 B12R0.47 CCCOCC(=O)CCOCCO 1458a_100000745993_100011215305 [1,1,0,0,0,0|1,0,1]=4 4051 B12R0.47 CCCOCC(=O)NCCCCO 240690a_100000750430_100000745993 [1,1,0,0,0,0|1,0,1]=4 4052 B12R0.47 CCCOCC(=O)NCCCCO 527a_100000750430_100000745993 [1,1,0,0,0,0|1,0,1]=4 4053 B12R0.47 CCCOCCC(=O)CCCC#N 1458a_100000075515_100011215938 [1,1,0,0,0,0|1,0,1]=4 4054 B12R0.47 CCCOCCC(=O)CCCCO 1458a_100000695505_100011215938 [1,1,0,0,0,0|0,0,1]=3 4055 B12R0.47 CCCOCCC(=O)CCCOC 1458a_100000741012_100011215938 [1,1,0,0,0,0|2,0,0]=4 4056 B12R0.47 CCCOCCC(=O)CCCSC 1458a_100000173376_100011215938 [1,1,0,0,0,0|2,0,0]=4 4057 B12R0.47 CCCOCCC(=O)COCCO 1458a_100000708028_100011215938 [1,1,0,0,0,0|1,0,1]=4 4058 B12R0.47 CCCSCC(=O)CCCCCO 1458a_100000217233_100000746330 [1,1,0,0,0,0|1,0,1]=4 4059 B12R0.47 CCCSCC(=O)CCCCOC 1458a_100000217233_100000755781 [1,1,0,0,0,0|1,0,1]=4 4060 B12R0.47 CCCSCC(=O)CCOCCO 1458a_100000217233_100011215305 [1,1,0,0,0,0|1,0,1]=4 4061 B12R0.47 CCCSCC(=O)NCCCCO 240690a_100000750430_100000217233 [1,1,0,0,0,0|1,0,1]=4 4062 B12R0.47 CCCSCC(=O)NCCCCO 527a_100000750430_100000217233 [1,1,0,0,0,0|1,0,1]=4 4063 B12R0.47 CCOCCC(=O)CCCCCO 1458a_100000749530_100000746330 [1,1,0,0,0,0|1,0,1]=4 4064 B12R0.47 CCOCCC(=O)CCCCCO 1458a_100102619762_100011215890 [1,1,0,0,0,0|1,0,1]=4 4065 B12R0.47 CCOCCC(=O)CCCCOC 1458a_100000749530_100000755781 [1,1,0,0,0,0|1,0,1]=4 4066 B12R0.47 CCOCCC(=O)CCOCCO 1458a_100000749530_100011215305 [1,1,0,0,0,0|1,0,1]=4 4067 B12R0.47 CCOCCC(=O)CCOCCO 1458a_100011229844_100011215890 [1,1,0,0,0,0|1,0,1]=4 4068 B12R0.47 CCOCCC(=O)NCCCCO 240690a_100000750430_100000749530 [1,1,0,0,0,0|1,0,1]=4 4069 B12R0.47 CCOCCC(=O)NCCCCO 527a_100000750430_100000749530 [1,1,0,0,0,0|1,0,1]=4 4070 B12R0.47 CCOCCCC(=O)CCCC#N 1458a_100000075515_100012232248 [1,1,0,0,0,0|1,0,1]=4 4071 B12R0.47 CCOCCCC(=O)CCCCO 1458a_100000695505_100012232248 [1,1,0,0,0,0|0,0,1]=3 4072 B12R0.47 CCOCCCC(=O)CCCOC 1458a_100000741012_100012232248 [1,1,0,0,0,0|2,0,0]=4 4073 B12R0.47 CCOCCCC(=O)CCCSC 1458a_100000173376_100012232248 [1,1,0,0,0,0|2,0,0]=4 4074 B12R0.47 CCOCCCC(=O)COCCO 1458a_100000708028_100012232248 [1,1,0,0,0,0|1,0,1]=4 4075 B12R0.47 CCOCCNC(=O)CCCCO 1626a_102516460346_100000695505 [1,1,0,0,0,0|1,0,1]=4 4076 B12R0.47 CCOCCOC(=O)CSCC=O 62a_200000101388_200015260668 [1,1,0,0,0,0|2,0,0]=4 4077 B12R0.47 CCOCCOC(=O)CSCC=O 62a_200015260668_200000101388 [1,1,0,0,0,0|2,0,0]=4 4078 B12R0.47 CCSCCC(=O)CCCCCO 1458a_100000230768_100000746330 [1,1,0,0,0,0|1,0,1]=4 4079 B12R0.47 CCSCCC(=O)CCCCCO 1458a_100102619762_100000757381 [1,1,0,0,0,0|1,0,1]=4 4080 B12R0.47 CCSCCC(=O)CCCCOC 1458a_100000230768_100000755781 [1,1,0,0,0,0|1,0,1]=4 4081 B12R0.47 CCSCCC(=O)CCOCCO 1458a_100000230768_100011215305 [1,1,0,0,0,0|1,0,1]=4 4082 B12R0.47 CCSCCC(=O)CCOCCO 1458a_100011229844_100000757381 [1,1,0,0,0,0|1,0,1]=4 4083 B12R0.47 CCSCCC(=O)NCCCCO 240690a_100000750430_100000230768 [1,1,0,0,0,0|1,0,1]=4 4084 B12R0.47 CCSCCC(=O)NCCCCO 527a_100000750430_100000230768 [1,1,0,0,0,0|1,0,1]=4 4085 B12R0.47 CCSCCNC(=O)CCCCO 1626a_100000106463_100000695505 [1,1,0,0,0,0|1,0,1]=4 4086 B12R0.47 CN(CCCC=O)CCCCCO 2230a_100000722520_200011292268 [1,1,0,0,0,0|2,0,0]=4 4087 B12R0.47 CN(CCCC=O)CCCCCO 269982a_100000722520_200011292268 [1,1,0,0,0,0|2,0,0]=4 4088 B12R0.47 COCCCC(=O)CCCCCF 1458a_100000741012_100000729378 [1,1,0,0,0,0|2,0,0]=4 4089 B12R0.47 COCCCC(=O)CCCCCO 1458a_100000741012_100000746330 [1,1,0,0,0,0|1,0,1]=4 4090 B12R0.47 COCCCC(=O)CCCCCO 1458a_100102619762_100000740836 [1,1,0,0,0,0|1,0,1]=4 4091 B12R0.47 COCCCC(=O)CCOCCO 1458a_100000741012_100011215305 [1,1,0,0,0,0|1,0,1]=4 4092 B12R0.47 COCCCC(=O)CCOCCO 1458a_100011229844_100000740836 [1,1,0,0,0,0|1,0,1]=4 4093 B12R0.47 COCCCC(=O)NCCCCO 240690a_100000750430_100000741012 [1,1,0,0,0,0|1,0,1]=4 4094 B12R0.47 COCCCC(=O)NCCCCO 527a_100000750430_100000741012 [1,1,0,0,0,0|1,0,1]=4 4095 B12R0.47 COCCCCC(=O)CCCC#N 1458a_100000075515_100000755781 [1,1,0,0,0,0|1,0,1]=4 4096 B12R0.47 COCCCCC(=O)CCCCO 1458a_100000695505_100000755781 [1,1,0,0,0,0|0,0,1]=3 4097 B12R0.47 COCCCCC(=O)CCCOC 1458a_100000741012_100000755781 [1,1,0,0,0,0|1,0,1]=4 4098 B12R0.47 COCCCCC(=O)CCCSC 1458a_100000173376_100000755781 [1,1,0,0,0,0|1,0,1]=4 4099 B12R0.47 COCCCCC(=O)COCCO 1458a_100000708028_100000755781 [1,1,0,0,0,0|1,0,1]=4 4100 B12R0.47 COCCCNC(=O)CCCCO 1626a_100150723488_100000695505 [1,1,0,0,0,0|1,0,1]=4 4101 B12R0.47 COCCCNC(=O)CSCC=O 62a_100000183178_200015260668 [1,1,0,0,0,0|2,0,0]=4 4102 B12R0.47 COCCOCC(=O)CCCCO 1458a_100000211095_100000210776 [1,1,0,0,0,0|1,0,1]=4 4103 B12R0.47 CSCCCC(=O)CCCCCF 1458a_100000173376_100000729378 [1,1,0,0,0,0|2,0,0]=4 4104 B12R0.47 CSCCCC(=O)CCCCCO 1458a_100000173376_100000746330 [1,1,0,0,0,0|1,0,1]=4 4105 B12R0.47 CSCCCC(=O)CCOCCO 1458a_100000173376_100011215305 [1,1,0,0,0,0|1,0,1]=4 4106 B12R0.47 CSCCCC(=O)NCCCCO 240690a_100000750430_100000173376 [1,1,0,0,0,0|1,0,1]=4 4107 B12R0.47 CSCCCC(=O)NCCCCO 527a_100000750430_100000173376 [1,1,0,0,0,0|1,0,1]=4 4108 B12R0.47 CSCCCNC(=O)CCCCO 1626a_100000749238_100000695505 [1,1,0,0,0,0|1,0,1]=4 4109 B12R0.47 N#CCCCC(=O)CCCCCF 1458a_100000075515_100000729378 [1,1,0,0,0,0|1,0,1]=4 4110 B12R0.47 N#CCCCC(=O)CCCCCO 1458a_100000075515_100000746330 [1,1,0,0,0,0|1,0,1]=4 4111 B12R0.47 N#CCCCC(=O)CCCCCO 1458a_100102619762_100000211468 [1,1,0,0,0,0|1,0,1]=4 4112 B12R0.47 N#CCCCCC(=O)CCCCO 1458a_100000695505_100000211819 [1,1,0,0,0,0|0,0,2]=4 4113 B12R0.47 O=C(CCCCCF)COCCO 1458a_100000708028_100000729378 [1,1,0,0,0,0|1,0,1]=4 4114 B12R0.47 O=C(CCCCCO)COCCO 1458a_100000708028_100000746330 [1,1,0,0,0,0|1,0,1]=4 4115 B12R0.47 O=C(CCCCCO)NCCCO 240690a_100000182051_100102619762 [1,1,0,0,0,0|1,0,1]=4 4116 B12R0.47 O=C(CCCCF)CCCCCO 1458a_100102619762_100000729493 [1,1,0,0,0,0|1,0,1]=4 4117 B12R0.47 O=C(CCCCF)CCOCCO 1458a_100011229844_100000729493 [1,1,0,0,0,0|1,0,1]=4 4118 B12R0.47 O=C(CCCCO)CCCCCF 1458a_100000695505_100000729378 [1,1,0,0,0,0|0,0,1]=3 4119 B12R0.47 O=C(CCCCO)CCCCCO 1458a_100000695505_100000746330 [1,1,0,0,0,0|0,0,1]=3 4120 B12R0.47 O=C(CCCCO)CCCCCO 1458a_100102619762_100000210776 [1,1,0,0,0,0|0,0,1]=3 4121 B12R0.47 O=C(CCCCO)CCOCCO 1458a_100000695505_100011215305 [1,1,0,0,0,0|1,0,1]=4 4122 B12R0.47 O=C(CCCCO)CCOCCO 1458a_100011229844_100000210776 [1,1,0,0,0,0|1,0,1]=4 4123 B12R0.142 C#CCCCC(=O)CCC(C)CC 1458a_100000701222_100000731252 [1,1,0,0,0,0|1,0,1]=4 4124 B12R0.142 C=CC(C)OCC(=O)CCCCC 34a_100000695699_200012276598 [1,1,0,0,0,0|2,0,0]=4 4125 B12R0.142 C=CC(C)SCC(=O)CCCCC 62a_100011215867_200012276598 [1,1,0,0,0,0|2,0,0]=4 4126 B12R0.142 C=CCCCC(=O)CCC(C)CC 1458a_100000701222_100000757094 [1,1,0,0,0,0|1,0,0]=3 4127 B12R0.142 C=CCCCC(=O)CCN(C)CC 1458a_100000755305_100000757094 [1,1,0,0,0,0|2,0,0]=4 4128 B12R0.142 C=CCCCC(=O)CCS(=O)CC 1458a_100011387550_100000757094 [1,1,0,0,0,0|2,0,0]=4 4129 B12R0.142 C=CCCCC(=O)NCC(C)CC 11a_100020588543_100000766728 [1,1,0,0,0,0|2,0,0]=4 4130 B12R0.142 C=CCCCC(=O)NCC(C)CC 1626a_100020588543_100000766728 [1,1,0,0,0,0|2,0,0]=4 4131 B12R0.142 C=CCCCC(=O)NCC(C)CC 240690a_100020588543_100000766728 [1,1,0,0,0,0|2,0,0]=4 4132 B12R0.142 C=CCCCC(=O)NCC(C)CC 527a_100020588543_100000766728 [1,1,0,0,0,0|2,0,0]=4 4133 B12R0.142 C=CCCCC(=O)NCC(O)CC 11a_100011218483_100000766728 [1,1,0,0,0,0|2,0,0]=4 4134 B12R0.142 C=CCCCC(=O)NCC(O)CC 240690a_100011218483_100000766728 [1,1,0,0,0,0|2,0,0]=4 4135 B12R0.142 C=CCCCC(=O)NCC(O)CC 527a_100011218483_100000766728 [1,1,0,0,0,0|2,0,0]=4 4136 B12R0.142 C=CCCNC(=O)CCC(C)CC 11a_100015191253_100000701222 [1,1,0,0,0,0|2,0,0]=4 4137 B12R0.142 C=CCCNC(=O)CCC(C)CC 1626a_100015191253_100000701222 [1,1,0,0,0,0|2,0,0]=4 4138 B12R0.142 C=CCCNC(=O)CCC(C)CC 240690a_100015191253_100000701222 [1,1,0,0,0,0|2,0,0]=4 4139 B12R0.142 C=CCCNC(=O)CCC(C)CC 527a_100015191253_100000701222 [1,1,0,0,0,0|2,0,0]=4 4140 B12R0.142 C=CCCNC(=O)CCC(O)CC 1626a_100015191253_203496584001 [1,1,0,0,0,0|2,0,0]=4 4141 B12R0.142 C=CCCNC(=O)CCC(O)CC 240690a_100015191253_203496584001 [1,1,0,0,0,0|2,0,0]=4 4142 B12R0.142 C=COCCC(=O)CCC(C)CC 1458a_100000701222_100000039644 [1,1,0,0,0,0|2,0,0]=4 4143 B12R0.142 CCC(C)CCC(=O)CCCC#N 1458a_100000701222_100000211468 [1,1,0,0,0,0|1,0,1]=4 4144 B12R0.142 CCC(C)CCC(=O)CCCCF 1458a_100000701222_100000729493 [1,1,0,0,0,0|1,0,1]=4 4145 B12R0.142 CCC(C)CCC(=O)CCCCO 1458a_100000701222_100000210776 [1,1,0,0,0,0|0,0,1]=3 4146 B12R0.142 CCC(C)CCC(=O)CCCOC 1458a_100000701222_100000740836 [1,1,0,0,0,0|2,0,0]=4 4147 B12R0.142 CCC(C)CCC(=O)NCCCO 240690a_100000182051_100000701222 [1,1,0,0,0,0|1,0,1]=4 4148 B12R0.142 CCC(C)CCC(=O)NCCCO 527a_100000182051_100000701222 [1,1,0,0,0,0|1,0,1]=4 4149 B12R0.142 CCC(C)CNC(=O)CCCCO 1626a_100020588543_100000695505 [1,1,0,0,0,0|1,0,1]=4 4150 B12R0.142 CCC(O)CCC(=O)NCCCO 240690a_100000182051_203496584001 [1,1,0,0,0,0|1,0,1]=4 4151 B12R0.142 CCCCCC(=O)CCC(C)CC 1458a_100000701222_100000210326 [1,1,0,0,0,0|1,0,1]=4 4152 B12R0.142 CCCCCC(=O)CN[C@H](C)CO 2230a_100000737577_200012276598 [1,1,0,0,0,0|1,0,1]=4 4153 B12R0.142 CCCCCC(=O)CSC(C)CO 62a_100012180447_200012276598 [1,1,0,0,0,0|1,0,1]=4 4154 B12R0.142 CCCCCC(=O)CS[C@H](C)CO 62a_100016084084_200012276598 [1,1,0,0,0,0|1,0,1]=4 4155 B12R0.142 CCCCCC(=O)CS[C@H](C)CO 62a_200012276598_100016084084 [1,1,0,0,0,0|1,0,1]=4 4156 B12R0.142 CCCCCC(=O)NCC(C)CO 240690a_100000744482_100000212188 [1,1,0,0,0,0|1,0,1]=4 4157 B12R0.142 CCCCCC(=O)NCC(C)CO 527a_100000744482_100000212188 [1,1,0,0,0,0|1,0,1]=4 4158 B12R0.142 CCCCCC(=O)NC[C@@H](F)CO 240690a_100015665980_100000212188 [1,1,0,0,0,0|1,0,1]=4 4159 B12R0.142 CCCCCC(=O)NC[C@@H](F)CO 527a_100015665980_100000212188 [1,1,0,0,0,0|1,0,1]=4 4160 B12R0.142 CCCCCC(=O)NC[C@H](O)CO 240690a_100020644852_100000212188 [1,1,0,0,0,0|1,0,1]=4 4161 B12R0.142 CCCCCC(=O)NC[C@H](O)CO 527a_100020644852_100000212188 [1,1,0,0,0,0|1,0,1]=4 4162 B12R0.142 CCN(C)CCC(=O)CCCCO 1458a_100000755305_100000210776 [1,1,0,0,0,0|1,0,1]=4 4163 B12R0.142 CCS(=O)CCC(=O)CCCCO 1458a_100011387550_100000210776 [1,1,0,0,0,0|1,0,1]=4 4164 B12R0.239 C#CCCCC(=O)CC(C)CCC 1458a_100000690238_100011216630 [1,1,0,0,0,0|1,0,1]=4 4165 B12R0.239 C#CCCCC(=O)CC(C)CCC 1458a_100000748435_100000731252 [1,1,0,0,0,0|1,0,1]=4 4166 B12R0.239 C=C(CCC)CC(=O)CCCCO 1458a_100000138376_100000210776 [1,1,0,0,0,0|0,0,2]=4 4167 B12R0.239 C=CCC(=O)CC(=O)CCCCC 1458a_100000210193_200012276598 [1,1,0,0,0,0|1,0,1]=4 4168 B12R0.239 C=CCCCC(=O)CC(=C)CCC 1458a_100000138376_100000757094 [1,1,0,0,0,0|1,0,1]=4 4169 B12R0.239 C=CCCCC(=O)CC(=O)CCC 1458a_100000766728_100000747444 [1,1,0,0,0,0|1,0,1]=4 4170 B12R0.239 C=CCCCC(=O)CC(C)CCC 1458a_100000748435_100000757094 [1,1,0,0,0,0|1,0,0]=3 4171 B12R0.239 C=CCCCC(=O)CC(C)CCC 1458a_100000766728_100011216630 [1,1,0,0,0,0|1,0,0]=3 4172 B12R0.239 C=CCCCC(=O)CC(C)SCC 1458a_200011311441_100000757094 [1,1,0,0,0,0|2,0,0]=4 4173 B12R0.239 C=CCCCC(=O)CS(=O)CCC 1458a_100011387404_100000757094 [1,1,0,0,0,0|2,0,0]=4 4174 B12R0.239 C=CCCCC(=O)NC(C)CCC 11a_100000741246_100000766728 [1,1,0,0,0,0|2,0,0]=4 4175 B12R0.239 C=CCCCC(=O)NC(C)CCC 1626a_100000741246_100000766728 [1,1,0,0,0,0|2,0,0]=4 4176 B12R0.239 C=CCCCC(=O)NC(C)CCC 240690a_100000741246_100000766728 [1,1,0,0,0,0|2,0,0]=4 4177 B12R0.239 C=CCCCC(=O)NC(C)CCC 527a_100000741246_100000766728 [1,1,0,0,0,0|2,0,0]=4 4178 B12R0.239 C=CCCNC(=O)CC(C)CCC 11a_100015191253_100000748435 [1,1,0,0,0,0|2,0,0]=4 4179 B12R0.239 C=CCCNC(=O)CC(C)CCC 1626a_100015191253_100000748435 [1,1,0,0,0,0|2,0,0]=4 4180 B12R0.239 C=CCCNC(=O)CC(C)CCC 240690a_100015191253_100000748435 [1,1,0,0,0,0|2,0,0]=4 4181 B12R0.239 C=CCCNC(=O)CC(C)CCC 527a_100015191253_100000748435 [1,1,0,0,0,0|2,0,0]=4 4182 B12R0.239 C=CCN(C)CC(=O)CCCCC 2230a_100000225617_200012276598 [1,1,0,0,0,0|2,0,0]=4 4183 B12R0.239 C=CCN(C)CC(=O)CCCCC 269982a_100000225617_200012276598 [1,1,0,0,0,0|2,0,0]=4 4184 B12R0.239 C=CCSCC(=O)CC(C)CCC 1458a_100000230395_100011216630 [1,1,0,0,0,0|2,0,0]=4 4185 B12R0.239 C=COCCC(=O)CC(C)CCC 1458a_100000748435_100000039644 [1,1,0,0,0,0|2,0,0]=4 4186 B12R0.239 CCCC(=O)CC(=O)CCCCO 1458a_100000695505_100000747444 [1,1,0,0,0,0|0,0,2]=4 4187 B12R0.239 CCCC(C)CC(=O)CCCC#N 1458a_100000075515_100011216630 [1,1,0,0,0,0|1,0,1]=4 4188 B12R0.239 CCCC(C)CC(=O)CCCC#N 1458a_100000748435_100000211468 [1,1,0,0,0,0|1,0,1]=4 4189 B12R0.239 CCCC(C)CC(=O)CCCCF 1458a_100000748435_100000729493 [1,1,0,0,0,0|1,0,1]=4 4190 B12R0.239 CCCC(C)CC(=O)CCCCO 1458a_100000695505_100011216630 [1,1,0,0,0,0|0,0,1]=3 4191 B12R0.239 CCCC(C)CC(=O)CCCCO 1458a_100000748435_100000210776 [1,1,0,0,0,0|0,0,1]=3 4192 B12R0.239 CCCC(C)CC(=O)CCCOC 1458a_100000741012_100011216630 [1,1,0,0,0,0|2,0,0]=4 4193 B12R0.239 CCCC(C)CC(=O)CCCOC 1458a_100000748435_100000740836 [1,1,0,0,0,0|2,0,0]=4 4194 B12R0.239 CCCC(C)CC(=O)CCCSC 1458a_100000173376_100011216630 [1,1,0,0,0,0|2,0,0]=4 4195 B12R0.239 CCCC(C)CC(=O)COCCO 1458a_100000708028_100011216630 [1,1,0,0,0,0|1,0,1]=4 4196 B12R0.239 CCCC(C)CC(=O)NCCCO 240690a_100000182051_100000748435 [1,1,0,0,0,0|1,0,1]=4 4197 B12R0.239 CCCC(C)CC(=O)NCCCO 527a_100000182051_100000748435 [1,1,0,0,0,0|1,0,1]=4 4198 B12R0.239 CCCC(C)NC(=O)CCCCO 1626a_100000741246_100000695505 [1,1,0,0,0,0|1,0,1]=4 4199 B12R0.239 CCCCCC(=O)CC(=O)CCO 1458a_100011216618_200012276598 [1,1,0,0,0,0|0,0,2]=4 4200 B12R0.239 CCCCCC(=O)CC(C)CCC 1458a_100000212188_100011216630 [1,1,0,0,0,0|1,0,1]=4 4201 B12R0.239 CCCCCC(=O)CC(C)CCC 1458a_100000748435_100000210326 [1,1,0,0,0,0|1,0,1]=4 4202 B12R0.239 CCCCCC(=O)CN(C)CCO 2230a_100000210263_200012276598 [1,1,0,0,0,0|1,0,1]=4 4203 B12R0.239 CCCCCC(=O)CN(C)CCO 269982a_100000210263_200012276598 [1,1,0,0,0,0|1,0,1]=4 4204 B12R0.239 CCCCCC(=O)N[C@H](C)CCO 240690a_100000706166_100000212188 [1,1,0,0,0,0|1,0,1]=4 4205 B12R0.239 CCCCCC(=O)N[C@H](C)CCO 527a_100000706166_100000212188 [1,1,0,0,0,0|1,0,1]=4 4206 B12R0.239 CCCCNC(=O)CN(C)CC=O 2230a_200000213093_200015260668 [1,1,0,0,0,0|2,0,0]=4 4207 B12R0.239 CCCCNC(=O)CN(C)CC=O 269982a_200000213093_200015260668 [1,1,0,0,0,0|2,0,0]=4 4208 B12R0.239 CCCS(=O)CC(=O)CCCCO 1458a_100011387404_100000210776 [1,1,0,0,0,0|1,0,1]=4 4209 B12R0.239 CCSC(C)CC(=O)CCCCO 1458a_200011311441_100000210776 [1,1,0,0,0,0|1,0,1]=4 4210 B12R0.648 C#CCCCC(=O)C(C)CCCC 1458a_100000690238_200011215066 [1,1,0,0,0,0|1,0,1]=4 4211 B12R0.648 C#CCCCC(=O)C(C)CCCC 1458a_100000725509_100000731252 [1,1,0,0,0,0|1,0,1]=4 4212 B12R0.648 C#CCCCC(=O)C(O)CCCC 1458a_100000720857_100000731252 [1,1,0,0,0,0|1,0,1]=4 4213 B12R0.648 C=CCCCC(=O)C(C)CCCC 1458a_100000725509_100000757094 [1,1,0,0,0,0|1,0,0]=3 4214 B12R0.648 C=CCCCC(=O)C(C)CCCC 1458a_100000766728_200011215066 [1,1,0,0,0,0|1,0,0]=3 4215 B12R0.648 C=CCCCC(=O)C(O)CCCC 1458a_100000720857_100000757094 [1,1,0,0,0,0|1,0,0]=3 4216 B12R0.648 C=CCCCC(=O)C(O)CCSC 1458a_100000685904_100000757094 [1,1,0,0,0,0|2,0,0]=4 4217 B12R0.648 C=CCCCC(=O)N(C)CCCC 11a_100000207549_100000766728 [1,1,0,0,0,0|2,0,0]=4 4218 B12R0.648 C=CCCCC(=O)N(C)CCCC 1626a_100000207549_100000766728 [1,1,0,0,0,0|2,0,0]=4 4219 B12R0.648 C=CCCCC(=O)N(C)CCCC 240690a_100000207549_100000766728 [1,1,0,0,0,0|2,0,0]=4 4220 B12R0.648 C=CCCCC(=O)N(C)CCCC 527a_100000207549_100000766728 [1,1,0,0,0,0|2,0,0]=4 4221 B12R0.648 C=CCCN(C)C(=O)CCCCC 11a_100020639649_100000212188 [1,1,0,0,0,0|2,0,0]=4 4222 B12R0.648 C=CCCN(C)C(=O)CCCCC 1626a_100020639649_100000212188 [1,1,0,0,0,0|2,0,0]=4 4223 B12R0.648 C=CCCN(C)C(=O)CCCCC 240690a_100020639649_100000212188 [1,1,0,0,0,0|2,0,0]=4 4224 B12R0.648 C=CCCN(C)C(=O)CCCCC 527a_100020639649_100000212188 [1,1,0,0,0,0|2,0,0]=4 4225 B12R0.648 C=CCCNC(=O)C(C)CCCC 11a_100015191253_100000725509 [1,1,0,0,0,0|2,0,0]=4 4226 B12R0.648 C=CCCNC(=O)C(C)CCCC 1626a_100015191253_100000725509 [1,1,0,0,0,0|2,0,0]=4 4227 B12R0.648 C=CCCNC(=O)C(C)CCCC 240690a_100015191253_100000725509 [1,1,0,0,0,0|2,0,0]=4 4228 B12R0.648 C=CCCNC(=O)C(C)CCCC 527a_100015191253_100000725509 [1,1,0,0,0,0|2,0,0]=4 4229 B12R0.648 C=CCCNC(=O)C(O)CCCC 240690a_100015191253_100000720857 [1,1,0,0,0,0|2,0,0]=4 4230 B12R0.648 C=CCCNC(=O)C(O)CCCC 527a_100015191253_100000720857 [1,1,0,0,0,0|2,0,0]=4 4231 B12R0.648 C=CCSC(C)C(=O)CCCCC 1458a_100000230602_100000210326 [1,1,0,0,0,0|2,0,0]=4 4232 B12R0.648 C=CCSCC(=O)C(C)CCCC 1458a_100000230395_200011215066 [1,1,0,0,0,0|2,0,0]=4 4233 B12R0.648 C=COCCC(=O)C(C)CCCC 1458a_100000725509_100000039644 [1,1,0,0,0,0|2,0,0]=4 4234 B12R0.648 C=COCCC(=O)C(O)CCCC 1458a_100000720857_100000039644 [1,1,0,0,0,0|2,0,0]=4 4235 B12R0.648 CCCCC(C)C(=O)CCCC#N 1458a_100000075515_200011215066 [1,1,0,0,0,0|1,0,1]=4 4236 B12R0.648 CCCCC(C)C(=O)CCCC#N 1458a_100000725509_100000211468 [1,1,0,0,0,0|1,0,1]=4 4237 B12R0.648 CCCCC(C)C(=O)CCCCF 1458a_100000725509_100000729493 [1,1,0,0,0,0|1,0,1]=4 4238 B12R0.648 CCCCC(C)C(=O)CCCCO 1458a_100000695505_200011215066 [1,1,0,0,0,0|0,0,1]=3 4239 B12R0.648 CCCCC(C)C(=O)CCCCO 1458a_100000725509_100000210776 [1,1,0,0,0,0|0,0,1]=3 4240 B12R0.648 CCCCC(C)C(=O)CCCOC 1458a_100000725509_100000740836 [1,1,0,0,0,0|2,0,0]=4 4241 B12R0.648 CCCCC(C)C(=O)CCCOC 1458a_100000741012_200011215066 [1,1,0,0,0,0|2,0,0]=4 4242 B12R0.648 CCCCC(C)C(=O)CCCSC 1458a_100000173376_200011215066 [1,1,0,0,0,0|2,0,0]=4 4243 B12R0.648 CCCCC(C)C(=O)COCCO 1458a_100000708028_200011215066 [1,1,0,0,0,0|1,0,1]=4 4244 B12R0.648 CCCCC(C)C(=O)NCCCO 240690a_100000182051_100000725509 [1,1,0,0,0,0|1,0,1]=4 4245 B12R0.648 CCCCC(C)C(=O)NCCCO 527a_100000182051_100000725509 [1,1,0,0,0,0|1,0,1]=4 4246 B12R0.648 CCCCC(O)C(=O)CCCC#N 1458a_100000720857_100000211468 [1,1,0,0,0,0|1,0,1]=4 4247 B12R0.648 CCCCC(O)C(=O)CCCCF 1458a_100000720857_100000729493 [1,1,0,0,0,0|1,0,1]=4 4248 B12R0.648 CCCCC(O)C(=O)CCCCO 1458a_100000720857_100000210776 [1,1,0,0,0,0|0,0,1]=3 4249 B12R0.648 CCCCC(O)C(=O)CCCOC 1458a_100000720857_100000740836 [1,1,0,0,0,0|2,0,0]=4 4250 B12R0.648 CCCCC(O)C(=O)NCCCO 240690a_100000182051_100000720857 [1,1,0,0,0,0|1,0,1]=4 4251 B12R0.648 CCCCC(O)C(=O)NCCCO 527a_100000182051_100000720857 [1,1,0,0,0,0|1,0,1]=4 4252 B12R0.648 CCCCCC(=O)C(C)CCCC 1458a_100000212188_200011215066 [1,1,0,0,0,0|1,0,1]=4 4253 B12R0.648 CCCCCC(=O)C(C)CCCC 1458a_100000725509_100000210326 [1,1,0,0,0,0|1,0,1]=4 4254 B12R0.648 CCCCCC(=O)C(O)CCCC 1458a_100000720857_100000210326 [1,1,0,0,0,0|1,0,1]=4 4255 B12R0.648 CCCCCC(=O)C(O)CCSC 1458a_100000685904_100000210326 [1,1,0,0,0,0|2,0,0]=4 4256 B12R0.648 CCCCCC(=O)N(C)CCCO 240690a_100000213112_100000212188 [1,1,0,0,0,0|1,0,1]=4 4257 B12R0.648 CCCCCC(=O)N(C)CCCO 527a_100000213112_100000212188 [1,1,0,0,0,0|1,0,1]=4 4258 B12R0.648 CCCCN(C)C(=O)CCCCO 1626a_100000207549_100000695505 [1,1,0,0,0,0|1,0,1]=4 4259 B12R0.648 CCCCN(C)C(=O)CSCC=O 62a_100000230175_200015260668 [1,1,0,0,0,0|2,0,0]=4 4260 B12R0.648 CCCCN(C)C(=O)CSCC=O 62a_200015260668_100000230175 [1,1,0,0,0,0|2,0,0]=4 4261 B12R0.648 CCCCNC(=O)C(C)SCC=O 62a_100000735917_200015260668 [1,1,0,0,0,0|2,0,0]=4 4262 B12R0.648 CCCCNC(=O)C(C)SCC=O 62a_200015260668_100000735917 [1,1,0,0,0,0|2,0,0]=4 4263 B12R0.648 CCCCOC(=O)C(C)OCC=O 34a_100000038973_200009817547 [1,1,0,0,0,0|2,0,0]=4 4264 B12R0.648 CCCCOC(=O)C(C)OCC=O 7a_100000038973_200015260668 [1,1,0,0,0,0|2,0,0]=4 4265 B12R0.648 CCCCOC(=O)C(C)SCC=O 62a_100000759602_200015260668 [1,1,0,0,0,0|2,0,0]=4 4266 B12R0.648 CCCCOC(=O)C(C)SCC=O 62a_200015260668_100000759602 [1,1,0,0,0,0|2,0,0]=4 4267 B12R0.648 CSCCC(O)C(=O)CCCCO 1458a_100000685904_100000210776 [1,1,0,0,0,0|1,0,1]=4 4268 B12R0.2 CCCNC(=O)CN(C)CC(=O)O 269956a_100000746989_100000183358 [1,1,0,0,0,0|2,0,0]=4 4269 B12R0.2 CCCOC(=O)CN(C)CC(=O)O 269956a_100000746989_200011215008 [1,1,0,0,0,0|2,0,0]=4 4270 B12R0.44 C=C(C)CCC(=O)CCCC(=O)C 1458a_200000688413_100011215641 [1,1,0,0,0,0|1,0,1]=4 4271 B12R0.44 C=C(C)CCC(=O)CCCC(=O)N 1458a_200000688413_100102525003 [1,1,0,0,0,0|1,0,1]=4 4272 B12R0.44 CC(=O)CCCC(=O)CCC(C)C 1458a_100000181311_100011215641 [1,1,0,0,0,0|1,0,0]=3 4273 B12R0.44 CC(=O)CCCC(=O)CC[S+](C)C 1458a_100009452791_100011215641 [1,1,0,0,0,0|2,0,0]=4 4274 B12R0.44 CC(=O)CCCC(=O)COC(C)C 1458a_100000745533_100011215641 [1,1,0,0,0,0|2,0,0]=4 4275 B12R0.44 CC(=O)CCCC(=O)CSC(C)C 1458a_100000241585_100011215641 [1,1,0,0,0,0|2,0,0]=4 4276 B12R0.44 CC(=O)CCCC(=O)NCC(C)C 1458a_100000070787_100011194448 [1,1,0,0,0,0|2,0,0]=4 4277 B12R0.44 CC(=O)NCCC(=O)CCC(C)C 1458a_100000181311_100000189650 [1,1,0,0,0,0|2,0,0]=4 4278 B12R0.44 CC(=O)NCCC(=O)CCC(C)C 1458a_100000183196_100000210312 [1,1,0,0,0,0|2,0,0]=4 4279 B12R0.44 CC(=O)NCCC(=O)CCC(C)O 1458a_100000183196_100012276601 [1,1,0,0,0,0|2,0,0]=4 4280 B12R0.44 CC(=O)OCCC(=O)CCC(C)C 1458a_100000181311_100009814007 [1,1,0,0,0,0|2,0,0]=4 4281 B12R0.44 CC(=O)SCCC(=O)CCC(C)C 1458a_100000048949_100000210312 [1,1,0,0,0,0|2,0,0]=4 4282 B12R0.44 CC(=O)SCCC(=O)CCC(C)O 1458a_100000048949_100012276601 [1,1,0,0,0,0|2,0,0]=4 4283 B12R0.44 CC(C)CCC(=O)CCCC(=O)N 1458a_100000181311_100102525003 [1,1,0,0,0,0|1,0,0]=3 4284 B12R0.44 CC(C)CCC(=O)CCCC(C)O 1458a_100000181311_200000718107 [1,1,0,0,0,0|1,0,1]=4 4285 B12R0.44 CC(C)CCC(=O)CCC[N+](=O)[O-] 1458a_100016109205_100000210312 [1,1,0,0,0,0|1,0,1]=4 4286 B12R0.44 CC(C)CCC(=O)CCNC(=O)N 1458a_100000181311_200000034859 [1,1,0,0,0,0|2,0,0]=4 4287 B12R0.44 CC(C)CCC(=O)CCNC(=O)N 1458a_100000181464_100000210312 [1,1,0,0,0,0|2,0,0]=4 4288 B12R0.44 CC(C)CCC(=O)CCOC(=O)N 1458a_100000181311_200011214921 [1,1,0,0,0,0|2,0,0]=4 4289 B12R0.44 CC(C)CCC(=O)COCC(=O)N 1458a_100011219004_100000210312 [1,1,0,0,0,0|2,0,0]=4 4290 B12R0.44 CC(C)CCC(=O)NCCC(=O)N 11a_100000740010_100000181311 [1,1,0,0,0,0|2,0,0]=4 4291 B12R0.44 CC(C)CCC(=O)NCCC(=O)N 240690a_100000740010_100000181311 [1,1,0,0,0,0|2,0,0]=4 4292 B12R0.44 CC(C)CCC(=O)NCCC(=O)N 527a_100000740010_100000181311 [1,1,0,0,0,0|2,0,0]=4 4293 B12R0.44 CC(C)CCN(C)CCCC(=O)O 269956a_100000719178_100000210312 [1,1,0,0,0,0|2,0,0]=4 4294 B12R0.44 CC(C)CNC(=O)CNCC(=O)O 269956a_100016091260_100000183291 [1,1,0,0,0,0|2,0,0]=4 4295 B12R0.44 CC(C)OCC(=O)CCCC(=O)N 1458a_100000745533_100102525003 [1,1,0,0,0,0|2,0,0]=4 4296 B12R0.44 CC(C)SCC(=O)CCCC(=O)N 1458a_100000241585_100102525003 [1,1,0,0,0,0|2,0,0]=4 4297 B12R0.44 CC(O)CCC(=O)CCC[N+](=O)[O-] 1458a_100016109205_100012276601 [1,1,0,0,0,0|1,0,1]=4 4298 B12R0.44 CC(O)CCC(=O)CCNC(=O)N 1458a_100000181464_100012276601 [1,1,0,0,0,0|2,0,0]=4 4299 B12R0.44 CC(O)CCC(=O)COCC(=O)N 1458a_100011219004_100012276601 [1,1,0,0,0,0|2,0,0]=4 4300 B12R0.44 CC(O)CCN(C)CCCC(=O)O 269956a_100000719178_100012276601 [1,1,0,0,0,0|2,0,0]=4 4301 B12R0.44 C[S+](C)CCC(=O)CCCC(=O)N 1458a_100009452791_100102525003 [1,1,0,0,0,0|2,0,0]=4 4302 B12R0.48 CCCCC(=O)CCN(C)C(=O)C 1458a_100011216537_100000210211 [1,1,0,0,0,0|2,0,0]=4 4303 B12R0.48 CCCNC(=O)CN[C@@H](C)C(=O)O 269956a_100000743915_100000183358 [1,1,0,0,0,0|2,0,0]=4 4304 B12R0.48 CCCOC(=O)CN[C@@H](C)C(=O)O 269956a_100000743915_200011215008 [1,1,0,0,0,0|2,0,0]=4 4305 B12R0.54 CCCC(C)C(=O)CCCC(=O)C 1458a_100000210906_100011215641 [1,1,0,0,0,0|1,0,0]=3 4306 B12R0.54 CCCC(C)C(=O)CCCC(=O)N 1458a_100000210906_100102525003 [1,1,0,0,0,0|1,0,0]=3 4307 B12R0.54 CCCC(C)C(=O)CCCC(C)O 1458a_100000210906_200000718107 [1,1,0,0,0,0|1,0,1]=4 4308 B12R0.54 CCCC(C)C(=O)CCC[N+](=O)[O-] 1458a_100016109205_100000766640 [1,1,0,0,0,0|1,0,1]=4 4309 B12R0.54 CCCC(C)C(=O)CCNC(=O)C 1458a_100000183196_100000766640 [1,1,0,0,0,0|2,0,0]=4 4310 B12R0.54 CCCC(C)C(=O)CCNC(=O)C 1458a_100000210906_100000189650 [1,1,0,0,0,0|2,0,0]=4 4311 B12R0.54 CCCC(C)C(=O)CCNC(=O)N 1458a_100000181464_100000766640 [1,1,0,0,0,0|2,0,0]=4 4312 B12R0.54 CCCC(C)C(=O)CCNC(=O)N 1458a_100000210906_200000034859 [1,1,0,0,0,0|2,0,0]=4 4313 B12R0.54 CCCC(C)C(=O)CCOC(=O)C 1458a_100000210906_100009814007 [1,1,0,0,0,0|2,0,0]=4 4314 B12R0.54 CCCC(C)C(=O)CCOC(=O)N 1458a_100000210906_200011214921 [1,1,0,0,0,0|2,0,0]=4 4315 B12R0.54 CCCC(C)C(=O)CCSC(=O)C 1458a_100000048949_100000766640 [1,1,0,0,0,0|2,0,0]=4 4316 B12R0.54 CCCC(C)C(=O)COCC(=O)N 1458a_100011219004_100000766640 [1,1,0,0,0,0|2,0,0]=4 4317 B12R0.54 CCCC(C)C(=O)NCCC(=O)N 11a_100000740010_100000210906 [1,1,0,0,0,0|2,0,0]=4 4318 B12R0.54 CCCC(C)C(=O)NCCC(=O)N 240690a_100000740010_100000210906 [1,1,0,0,0,0|2,0,0]=4 4319 B12R0.54 CCCC(C)C(=O)NCCC(=O)N 527a_100000740010_100000210906 [1,1,0,0,0,0|2,0,0]=4 4320 B12R0.54 CCCC(C)N(C)CCCC(=O)O 269956a_100000719178_100000766640 [1,1,0,0,0,0|2,0,0]=4 4321 B12R0.54 CCC[C@H](O)C(=O)CCCC(=O)C 1458a_100009822183_100011215641 [1,1,0,0,0,0|1,0,0]=3 4322 B12R0.54 CCC[C@H](O)C(=O)CCCC(=O)N 1458a_100009822183_100102525003 [1,1,0,0,0,0|1,0,0]=3 4323 B12R0.54 CCC[C@H](O)C(=O)CCCC(C)O 1458a_100009822183_200000718107 [1,1,0,0,0,0|1,0,1]=4 4324 B12R0.54 CCC[C@H](O)C(=O)CCNC(=O)C 1458a_100009822183_100000189650 [1,1,0,0,0,0|2,0,0]=4 4325 B12R0.54 CCC[C@H](O)C(=O)CCNC(=O)N 1458a_100009822183_200000034859 [1,1,0,0,0,0|2,0,0]=4 4326 B12R0.54 CCC[C@H](O)C(=O)CCOC(=O)C 1458a_100009822183_100009814007 [1,1,0,0,0,0|2,0,0]=4 4327 B12R0.54 CCC[C@H](O)C(=O)CCOC(=O)N 1458a_100009822183_200011214921 [1,1,0,0,0,0|2,0,0]=4 4328 B12R0.54 CCC[C@H](O)C(=O)NCCC(=O)N 240690a_100000740010_100009822183 [1,1,0,0,0,0|2,0,0]=4 4329 B12R0.54 CCOC(C)C(=O)CCCC(=O)C 1458a_100000739345_100011215641 [1,1,0,0,0,0|2,0,0]=4 4330 B12R0.54 CCOC(C)C(=O)CCCC(=O)N 1458a_100000739345_100102525003 [1,1,0,0,0,0|2,0,0]=4 4331 B12R0.54 CCSC(C)C(=O)CCCC(=O)C 1458a_100000230601_100011215641 [1,1,0,0,0,0|2,0,0]=4 4332 B12R0.54 CCSC(C)C(=O)CCCC(=O)N 1458a_100000230601_100102525003 [1,1,0,0,0,0|2,0,0]=4 4333 B12R0.54 COCC(C)C(=O)CCCC(=O)C 1458a_100000751857_100011215641 [1,1,0,0,0,0|2,0,0]=4 4334 B12R0.54 COCC(C)C(=O)CCCC(=O)N 1458a_100000751857_100102525003 [1,1,0,0,0,0|2,0,0]=4 4335 B12R0.54 CSCC(C)C(=O)CCCC(=O)C 1458a_100000753918_100011215641 [1,1,0,0,0,0|2,0,0]=4 4336 B12R0.54 CSCC(C)C(=O)CCCC(=O)N 1458a_100000753918_100102525003 [1,1,0,0,0,0|2,0,0]=4 4337 B12R0.98 CCCCC(=O)N(C)CCC(=O)N 11a_100000730477_100000210183 [1,1,0,0,0,0|2,0,0]=4 4338 B12R0.98 CCCCC(=O)N(C)CCC(=O)N 240690a_100000730477_100000210183 [1,1,0,0,0,0|2,0,0]=4 4339 B12R0.98 CCCCC(=O)N(C)CCC(=O)N 527a_100000730477_100000210183 [1,1,0,0,0,0|2,0,0]=4 4340 B12R0.98 CCCCC(=O)[C@H](C)CSC(=O)C 1458a_200015407212_100000210211 [1,1,0,0,0,0|2,0,0]=4 4341 B12R0.98 CCCNC(=O)C(C)NCC(=O)O 269956a_100016091260_100000230305 [1,1,0,0,0,0|2,0,0]=4 4342 B12R0.98 CCCOC(=O)C(C)NCC(=O)O 269956a_100016091260_100000760410 [1,1,0,0,0,0|2,0,0]=4 4343 B12R0.102 C#CC(=O)CCCC(=O)NCCC 1458a_100000211873_100011194427 [1,1,0,0,0,0|2,0,0]=4 4344 B12R0.102 C#CCCC(=O)CCCC(=O)OC 1458a_100000239890_100000753159 [1,1,0,0,0,0|0,0,2]=4 4345 B12R0.102 C#CCCC(=O)CCCC(=O)OC 1458a_100000692101_100011218270 [1,1,0,0,0,0|0,0,2]=4 4346 B12R0.102 C/C=C/CC(=O)CCCC(=O)OC 1458a_100000239890_100102629194 [1,1,0,0,0,0|0,0,2]=4 4347 B12R0.102 C=CC(=O)CCCC(=O)NCCC 1458a_100000185746_100011194427 [1,1,0,0,0,0|2,0,0]=4 4348 B12R0.102 C=CC(=O)OCCC(=O)CCCC 1458a_100000065099_100000210211 [1,1,0,0,0,0|2,0,0]=4 4349 B12R0.102 C=CC(=O)OCCC(=O)CCCC 1458a_100000210183_100009813456 [1,1,0,0,0,0|2,0,0]=4 4350 B12R0.102 C=CCCC(=O)CCCC(=O)OC 1458a_100000239890_100000754431 [1,1,0,0,0,0|0,0,2]=4 4351 B12R0.102 C=CCCC(=O)CCCC(=O)OC 1458a_100000749702_100011218270 [1,1,0,0,0,0|0,0,2]=4 4352 B12R0.102 CC#CCC(=O)CCCC(=O)OC 1458a_100000239890_100000748600 [1,1,0,0,0,0|0,0,2]=4 4353 B12R0.102 CC=CCC(=O)CCCC(=O)OC 1458a_100000239890_100000070051 [1,1,0,0,0,0|0,0,2]=4 4354 B12R0.102 CC=CCC(=O)CCCC(=O)OC 1458a_100121576822_100011218270 [1,1,0,0,0,0|0,0,2]=4 4355 B12R0.102 CCC#CC(=O)CCCC(=O)OC 1458a_100011827653_100011218270 [1,1,0,0,0,0|0,0,2]=4 4356 B12R0.102 CCC=CC(=O)CCCC(=O)OC 1458a_100000212282_100011218270 [1,1,0,0,0,0|0,0,2]=4 4357 B12R0.102 CCCCC(=O)CCCC(=O)NC 1458a_100000210183_100000741757 [1,1,0,0,0,0|1,0,0]=3 4358 B12R0.102 CCCCC(=O)CCCC(=O)OC 1458a_100000210183_100011218270 [1,1,0,0,0,0|0,0,0]=2 4359 B12R0.102 CCCCC(=O)CCCC(=O)OC 1458a_100000239890_100000210211 [1,1,0,0,0,0|0,0,0]=2 4360 B12R0.102 CCCCC(=O)CCCN(C)N=O 1458a_200000076914_100000210211 [1,1,0,0,0,0|2,0,0]=4 4361 B12R0.102 CCCCC(=O)CCOC(=O)NC 1458a_100000210183_200011997002 [1,1,0,0,0,0|2,0,0]=4 4362 B12R0.102 CCCCC(=O)CSCC(=O)OC 1458a_100000191316_100000210211 [1,1,0,0,0,0|1,0,0]=3 4363 B12R0.102 CCCCC(=O)NCCC(=O)NC 11a_100000738227_100000210183 [1,1,0,0,0,0|2,0,0]=4 4364 B12R0.102 CCCCC(=O)NCCC(=O)NC 240690a_100000738227_100000210183 [1,1,0,0,0,0|2,0,0]=4 4365 B12R0.102 CCCCC(=O)NCCC(=O)NC 527a_100000738227_100000210183 [1,1,0,0,0,0|2,0,0]=4 4366 B12R0.102 CCCCC(=O)NCCC(=O)OC 188690a_100000683876_100000210183 [1,1,0,0,0,0|1,0,0]=3 4367 B12R0.102 CCCCN(C)CCCC(=O)OC 2230a_100000207549_100011218270 [1,1,0,0,0,0|2,0,0]=4 4368 B12R0.102 CCCCN(C)CCCC(=O)OC 269982a_100000207549_100011218270 [1,1,0,0,0,0|2,0,0]=4 4369 B12R0.102 CCCCN(C)CCCC(=O)OC 269982a_100000739225_100000210211 [1,1,0,0,0,0|2,0,0]=4 4370 B12R0.102 CCCNC(=O)CCCC(=O)CC 1458a_100000199544_100000210202 [1,1,0,0,0,0|2,0,0]=4 4371 B12R0.102 CCCNC(=O)CCCC(=O)CC 1458a_100000210414_100011194427 [1,1,0,0,0,0|2,0,0]=4 4372 B12R0.102 CCCNC(=O)CCCC(=O)CF 1458a_100000199544_100015361967 [1,1,0,0,0,0|2,0,0]=4 4373 B12R0.102 CCCNC(=O)CCCC(=O)CO 1458a_100000210174_100011194427 [1,1,0,0,0,0|1,0,0]=3 4374 B12R0.102 CCCNC(=O)CCCC(=O)NC 11a_106832991635_100000199544 [1,1,0,0,0,0|2,0,0]=4 4375 B12R0.102 CCCNC(=O)CCCC(=O)NC 1626a_100102657272_100000199544 [1,1,0,0,0,0|2,0,0]=4 4376 B12R0.102 CCCNC(=O)CCCC(=O)NC 240690a_100102657272_100000199544 [1,1,0,0,0,0|2,0,0]=4 4377 B12R0.102 CCCNC(=O)CCCC(=O)NC 527a_100102657272_100000199544 [1,1,0,0,0,0|2,0,0]=4 4378 B12R0.102 CCCNC(=O)CCCC(=O)OC 11a_100020643023_100000239890 [1,1,0,0,0,0|1,0,0]=3 4379 B12R0.102 CCCNC(=O)CCCC(=O)OC 1626a_100020643023_100000239890 [1,1,0,0,0,0|1,0,0]=3 4380 B12R0.102 CCCNC(=O)CCCC(=O)OC 240690a_100020643023_100000239890 [1,1,0,0,0,0|1,0,0]=3 4381 B12R0.102 CCCNC(=O)CCCC(=O)OC 527a_100020643023_100000239890 [1,1,0,0,0,0|1,0,0]=3 4382 B12R0.102 CCCNC(=O)CNCC(=O)OC 2230a_100000174927_100000747449 [1,1,0,0,0,0|2,0,0]=4 4383 B12R0.102 CCCNC(=O)CSCC(=O)OC 11a_100020643023_100000191316 [1,1,0,0,0,0|2,0,0]=4 4384 B12R0.102 CCCNC(=O)CSCC(=O)OC 1626a_100020643023_100000191316 [1,1,0,0,0,0|2,0,0]=4 4385 B12R0.102 CCCNC(=O)CSCC(=O)OC 240690a_100020643023_100000191316 [1,1,0,0,0,0|2,0,0]=4 4386 B12R0.102 CCCNC(=O)CSCC(=O)OC 62a_100000183358_100000747449 [1,1,0,0,0,0|2,0,0]=4 4387 B12R0.102 CCCNC(=O)CSCC(=O)OC 62a_100000747449_100000183358 [1,1,0,0,0,0|2,0,0]=4 4388 B12R0.102 CCCOC(=O)CSCC(=O)OC 62a_100000747449_200011215008 [1,1,0,0,0,0|2,0,0]=4 4389 B12R0.102 CCCOC(=O)CSCC(=O)OC 62a_200011215008_100000747449 [1,1,0,0,0,0|2,0,0]=4 4390 B12R0.102 CCNCC(=O)NCCC(=O)OC 2230a_100015525214_100000230212 [1,1,0,0,0,0|2,0,0]=4 4391 B12R0.102 CCNNC(=O)CCCC(=O)OC 22a_100000756455_100000239890 [1,1,0,0,0,0|2,0,0]=4 4392 B12R0.102 CCOCC(=O)CCCC(=O)NC 1458a_100000211967_100000741757 [1,1,0,0,0,0|2,0,0]=4 4393 B12R0.102 CCOCC(=O)CCCC(=O)OC 1458a_100000211967_100011218270 [1,1,0,0,0,0|1,0,0]=3 4394 B12R0.102 CCOCC(=O)NCCC(=O)OC 188690a_100000683876_100000211967 [1,1,0,0,0,0|2,0,0]=4 4395 B12R0.102 CCOCC(=O)NCCC(=O)OC 34a_100121572206_100000230212 [1,1,0,0,0,0|2,0,0]=4 4396 B12R0.102 CCSCC(=O)CCCC(=O)NC 1458a_100000230394_100000741757 [1,1,0,0,0,0|2,0,0]=4 4397 B12R0.102 CCSCC(=O)CCCC(=O)OC 1458a_100000230394_100011218270 [1,1,0,0,0,0|1,0,0]=3 4398 B12R0.102 CCSCC(=O)NCCC(=O)OC 188690a_100000683876_100000230394 [1,1,0,0,0,0|2,0,0]=4 4399 B12R0.102 CCSCC(=O)NCCC(=O)OC 62a_100000210202_100000230212 [1,1,0,0,0,0|2,0,0]=4 4400 B12R0.102 CCSCC(=O)NCCC(=O)OC 62a_100000230212_100000210202 [1,1,0,0,0,0|2,0,0]=4 4401 B12R0.102 CNC(=O)CCCC(=O)CCOC 1458a_100000749529_100000741757 [1,1,0,0,0,0|2,0,0]=4 4402 B12R0.102 CNC(=O)CCCC(=O)CCSC 1458a_100000174002_100000741757 [1,1,0,0,0,0|2,0,0]=4 4403 B12R0.102 COC(=O)CCCC(=O)CCC#N 1458a_100000239890_100011215226 [1,1,0,0,0,0|1,0,1]=4 4404 B12R0.102 COC(=O)CCCC(=O)CCC#N 1458a_100011934036_100011218270 [1,1,0,0,0,0|1,0,1]=4 4405 B12R0.102 COC(=O)CCCC(=O)CCCF 1458a_100000239890_100011934791 [1,1,0,0,0,0|1,0,0]=3 4406 B12R0.102 COC(=O)CCCC(=O)CCCO 1458a_100000239890_100011215043 [1,1,0,0,0,0|1,0,0]=3 4407 B12R0.102 COC(=O)CCCC(=O)CCSC 1458a_100000174002_100011218270 [1,1,0,0,0,0|1,0,0]=3 4408 B12R0.102 COC(=O)CCCC(=O)CCSC 1458a_100000239890_100000751147 [1,1,0,0,0,0|1,0,0]=3 4409 B12R0.102 COC(=O)CCCC(=O)NCCF 11a_100000724931_100000239890 [1,1,0,0,0,0|2,0,0]=4 4410 B12R0.102 COC(=O)CCCC(=O)NCCF 1626a_100000724931_100000239890 [1,1,0,0,0,0|2,0,0]=4 4411 B12R0.102 COC(=O)CCCC(=O)NCCF 240690a_100000724931_100000239890 [1,1,0,0,0,0|2,0,0]=4 4412 B12R0.102 COC(=O)CCCC(=O)NCCF 527a_100000724931_100000239890 [1,1,0,0,0,0|2,0,0]=4 4413 B12R0.102 COC(=O)CCCC(=O)NCCO 240690a_100000210304_100000239890 [1,1,0,0,0,0|2,0,0]=4 4414 B12R0.102 COC(=O)CCCC(=O)NCCO 527a_100000210304_100000239890 [1,1,0,0,0,0|2,0,0]=4 4415 B12R0.102 COC(=O)CCNC(=O)CCSC 188690a_100000683876_100000174002 [1,1,0,0,0,0|2,0,0]=4 4416 B12R0.102 COC(=O)CSCC(=O)CCCF 1458a_100000191316_100011934791 [1,1,0,0,0,0|2,0,0]=4 4417 B12R0.102 COC(=O)CSCC(=O)CCCO 1458a_100000191316_100011215043 [1,1,0,0,0,0|2,0,0]=4 4418 B12R0.102 COC(=O)CSCC(=O)CCSC 1458a_100000191316_100000751147 [1,1,0,0,0,0|2,0,0]=4 4419 B12R0.102 COCCC(=O)CCCC(=O)OC 1458a_100000239890_100000233755 [1,1,0,0,0,0|1,0,0]=3 4420 B12R0.102 COCCC(=O)CCCC(=O)OC 1458a_100000749529_100011218270 [1,1,0,0,0,0|1,0,0]=3 4421 B12R0.102 COCCC(=O)CSCC(=O)OC 1458a_100000191316_100000233755 [1,1,0,0,0,0|2,0,0]=4 4422 B12R0.102 COCCC(=O)NCCC(=O)OC 188690a_100000683876_100000749529 [1,1,0,0,0,0|2,0,0]=4 4423 B12R0.104 CCCCC(=O)CCCS(=O)(=O)C 1458a_100000210183_100000754308 [1,1,0,0,0,0|1,0,1]=4 4424 B12R0.104 CCCCC(=O)CCCS(=O)(=O)N 1458a_100000210183_100000750626 [1,1,0,0,0,0|1,0,1]=4 4425 B12R0.104 CCCCC(=O)CCCS(=O)(=O)N 1458a_100000739357_100000210211 [1,1,0,0,0,0|1,0,1]=4 4426 B12R0.104 CCCCC(=O)CCCS(=O)(=O)[O-] 1458a_100000210183_100009813499 [1,1,0,0,0,0|1,0,1]=4 4427 B12R0.240 CCC(C)CC(=O)CCCC(=O)C 1458a_100000708755_100011215641 [1,1,0,0,0,0|1,0,0]=3 4428 B12R0.240 CCC(C)CC(=O)CCCC(=O)N 1458a_100000708755_100102525003 [1,1,0,0,0,0|1,0,0]=3 4429 B12R0.240 CCC(C)CC(=O)CCCC(C)O 1458a_100000708755_200000718107 [1,1,0,0,0,0|1,0,1]=4 4430 B12R0.240 CCC(C)CC(=O)CCC[N+](=O)[O-] 1458a_100016109205_100000748023 [1,1,0,0,0,0|1,0,1]=4 4431 B12R0.240 CCC(C)CC(=O)CCNC(=O)C 1458a_100000183196_100000748023 [1,1,0,0,0,0|2,0,0]=4 4432 B12R0.240 CCC(C)CC(=O)CCNC(=O)C 1458a_100000708755_100000189650 [1,1,0,0,0,0|2,0,0]=4 4433 B12R0.240 CCC(C)CC(=O)CCNC(=O)N 1458a_100000181464_100000748023 [1,1,0,0,0,0|2,0,0]=4 4434 B12R0.240 CCC(C)CC(=O)CCNC(=O)N 1458a_100000708755_200000034859 [1,1,0,0,0,0|2,0,0]=4 4435 B12R0.240 CCC(C)CC(=O)CCOC(=O)C 1458a_100000708755_100009814007 [1,1,0,0,0,0|2,0,0]=4 4436 B12R0.240 CCC(C)CC(=O)CCOC(=O)N 1458a_100000708755_200011214921 [1,1,0,0,0,0|2,0,0]=4 4437 B12R0.240 CCC(C)CC(=O)CCSC(=O)C 1458a_100000048949_100000748023 [1,1,0,0,0,0|2,0,0]=4 4438 B12R0.240 CCC(C)CC(=O)COCC(=O)N 1458a_100011219004_100000748023 [1,1,0,0,0,0|2,0,0]=4 4439 B12R0.240 CCC(C)CC(=O)NCCC(=O)N 11a_100000740010_100000708755 [1,1,0,0,0,0|2,0,0]=4 4440 B12R0.240 CCC(C)CC(=O)NCCC(=O)N 240690a_100000740010_100000708755 [1,1,0,0,0,0|2,0,0]=4 4441 B12R0.240 CCC(C)CC(=O)NCCC(=O)N 527a_100000740010_100000708755 [1,1,0,0,0,0|2,0,0]=4 4442 B12R0.240 CCC(C)CN(C)CCCC(=O)O 269956a_100000719178_100000748023 [1,1,0,0,0,0|2,0,0]=4 4443 B12R0.240 CCC(C)NC(=O)CNCC(=O)O 269956a_100016091260_100000182745 [1,1,0,0,0,0|2,0,0]=4 4444 B12R0.240 CCC(O)CC(=O)CCCC(=O)C 1458a_100011667805_100011215641 [1,1,0,0,0,0|1,0,0]=3 4445 B12R0.240 CCC(O)CC(=O)CCCC(=O)N 1458a_100011667805_100102525003 [1,1,0,0,0,0|1,0,0]=3 4446 B12R0.240 CCC(O)CC(=O)CCCC(C)O 1458a_100011667805_200000718107 [1,1,0,0,0,0|1,0,1]=4 4447 B12R0.240 CCC(O)CC(=O)CCC[N+](=O)[O-] 1458a_100016109205_100011218378 [1,1,0,0,0,0|1,0,1]=4 4448 B12R0.240 CCC(O)CC(=O)CCNC(=O)C 1458a_100000183196_100011218378 [1,1,0,0,0,0|2,0,0]=4 4449 B12R0.240 CCC(O)CC(=O)CCNC(=O)C 1458a_100011667805_100000189650 [1,1,0,0,0,0|2,0,0]=4 4450 B12R0.240 CCC(O)CC(=O)CCNC(=O)N 1458a_100000181464_100011218378 [1,1,0,0,0,0|2,0,0]=4 4451 B12R0.240 CCC(O)CC(=O)CCNC(=O)N 1458a_100011667805_200000034859 [1,1,0,0,0,0|2,0,0]=4 4452 B12R0.240 CCC(O)CC(=O)CCOC(=O)C 1458a_100011667805_100009814007 [1,1,0,0,0,0|2,0,0]=4 4453 B12R0.240 CCC(O)CC(=O)CCOC(=O)N 1458a_100011667805_200011214921 [1,1,0,0,0,0|2,0,0]=4 4454 B12R0.240 CCC(O)CC(=O)CCSC(=O)C 1458a_100000048949_100011218378 [1,1,0,0,0,0|2,0,0]=4 4455 B12R0.240 CCC(O)CC(=O)COCC(=O)N 1458a_100011219004_100011218378 [1,1,0,0,0,0|2,0,0]=4 4456 B12R0.240 CCC(O)CC(=O)NCCC(=O)N 240690a_100000740010_100011667805 [1,1,0,0,0,0|2,0,0]=4 4457 B12R0.240 CCC(O)CN(C)CCCC(=O)O 269956a_100000719178_100011218378 [1,1,0,0,0,0|2,0,0]=4 4458 B12R0.240 CCN(C)CC(=O)CCCC(=O)C 1458a_100116209913_100011215641 [1,1,0,0,0,0|2,0,0]=4 4459 B12R0.240 CCN(C)CC(=O)CCCC(=O)N 1458a_100116209913_100102525003 [1,1,0,0,0,0|2,0,0]=4 4460 B12R0.240 CC[C@H](C)CC(=O)CCC[N+](=O)[O-] 1458a_100016109205_100009816398 [1,1,0,0,0,0|1,0,1]=4 4461 B12R0.240 CC[C@H](C)CC(=O)CCNC(=O)C 1458a_100000183196_100009816398 [1,1,0,0,0,0|2,0,0]=4 4462 B12R0.240 CC[C@H](C)CC(=O)CCNC(=O)N 1458a_100000181464_100009816398 [1,1,0,0,0,0|2,0,0]=4 4463 B12R0.240 CC[C@H](C)CC(=O)CCSC(=O)C 1458a_100000048949_100009816398 [1,1,0,0,0,0|2,0,0]=4 4464 B12R0.240 CC[C@H](C)CC(=O)COCC(=O)N 1458a_100011219004_100009816398 [1,1,0,0,0,0|2,0,0]=4 4465 B12R0.240 CC[C@H](C)CN(C)CCCC(=O)O 269956a_100000719178_100009816398 [1,1,0,0,0,0|2,0,0]=4 4466 B12R0.4 CCCCCCCC(O)CC(=O)C 1458a_200011667753_200000210301 [1,1,0,0,0,0|1,0,1]=4 4467 B12R0.4 CCCCCCCC(O)CC(=O)[13CH3] 1458a_200011667753_200025704644 [1,1,0,0,0,0|1,0,1]=4 4468 B12R0.4 CCCCCCCN(C)CC(=O)O 269956a_100000746989_100000210614 [1,1,0,0,0,0|1,0,1]=4 4469 B12R0.4 CCCCCNCC(O)CC(=O)O 269956a_100011218706_100000210326 [1,1,0,0,0,0|1,0,0]=3 4470 B12R0.4 CCOCCNCC(O)CC(=O)O 269956a_100011218706_100000210147 [1,1,0,0,0,0|2,0,0]=4 4471 B12R0.4 CCSCCNCC(O)CC(=O)O 269956a_100011218706_100000757381 [1,1,0,0,0,0|2,0,0]=4 4472 B12R0.4 COCCCNCC(O)CC(=O)O 269956a_100011218706_100000740836 [1,1,0,0,0,0|2,0,0]=4 4473 B12R0.4 O=C(O)CC(O)CNCCCCF 269956a_100011218706_100000729493 [1,1,0,0,0,0|2,0,0]=4 4474 B12R0.4 O=C(O)CC(O)CNCCCCO 269956a_100011218706_100000210776 [1,1,0,0,0,0|2,0,0]=4 4475 B12R0.95 CCCCC(C)NCCCC(=O)N 34a_100000739312_200011215066 [1,1,0,0,0,0|2,0,0]=4 4476 B12R0.95 CCCCC(C)OCCCC(=O)C 34a_100000687866_100000685027 [1,1,0,0,0,0|2,0,0]=4 4477 B12R0.95 CCCCC(C)OCCCC(=O)C 34a_100000759063_200011215066 [1,1,0,0,0,0|2,0,0]=4 4478 B12R0.95 CCCCC(C)OCCCC(=O)C 7a_100000687866_100011215641 [1,1,0,0,0,0|2,0,0]=4 4479 B12R0.95 CCCCC(C)OCCCC(=O)C 7a_100000759063_200011215066 [1,1,0,0,0,0|2,0,0]=4 4480 B12R0.95 CCCCC(C)OCCCC(=O)N 34a_100000687866_100102525003 [1,1,0,0,0,0|2,0,0]=4 4481 B12R0.95 CCCCC(C)OCCCC(=O)N 7a_100000687866_100102525003 [1,1,0,0,0,0|2,0,0]=4 4482 B12R0.95 CCCCC(C)SCCCC(=O)C 62a_100011215641_200011215066 [1,1,0,0,0,0|2,0,0]=4 4483 B12R0.95 CCCCC(C)SCCCC(=O)C 62a_200011215066_100011215641 [1,1,0,0,0,0|2,0,0]=4 4484 B12R0.95 CCCCC(C)SCCCC(=O)N 62a_100102525003_200011215066 [1,1,0,0,0,0|2,0,0]=4 4485 B12R0.95 CCCCC(C)SCCCC(=O)N 62a_200011215066_100102525003 [1,1,0,0,0,0|2,0,0]=4 4486 B12R0.184 CCC(C)CCOCCCC(=O)C 7a_100011215188_100011215641 [1,1,0,0,0,0|2,0,0]=4 4487 B12R0.184 CCC(C)CCOCCCC(=O)N 7a_100011215188_100102525003 [1,1,0,0,0,0|2,0,0]=4 4488 B12R0.234 CC(=O)CCCCCCCCCF 1458a_200009909015_200000210301 [1,1,0,0,0,0|1,0,1]=4 4489 B12R0.234 CC(=O)CCCCCCCCCO 1458a_100000070787_100009813782 [1,1,0,0,0,0|1,0,1]=4 4490 B12R0.234 CC(=O)CCCNCCCCCO 34a_100000762737_100000685027 [1,1,0,0,0,0|2,0,0]=4 4491 B12R0.234 CC(=O)CCCOCCCCCBr 34a_100000746331_100000685027 [1,1,0,0,0,0|2,0,0]=4 4492 B12R0.234 CC(=O)CCCOCCCCCBr 7a_100000746331_100011215641 [1,1,0,0,0,0|2,0,0]=4 4493 B12R0.234 CC(=O)CCCOCCCCCCl 34a_100000746330_100000685027 [1,1,0,0,0,0|2,0,0]=4 4494 B12R0.234 CC(=O)CCCOCCCCCCl 7a_100000746330_100011215641 [1,1,0,0,0,0|2,0,0]=4 4495 B12R0.234 CC(=O)CCCOCCCCCF 34a_100000759063_100000729378 [1,1,0,0,0,0|2,0,0]=4 4496 B12R0.234 CC(=O)CCCOCCCCCF 7a_100000759063_100000729378 [1,1,0,0,0,0|2,0,0]=4 4497 B12R0.234 CC(=O)CCCOCCCCCI 34a_200012148887_100000685027 [1,1,0,0,0,0|2,0,0]=4 4498 B12R0.234 CC(=O)CCCOCCCCCI 7a_200012148887_100011215641 [1,1,0,0,0,0|2,0,0]=4 4499 B12R0.234 CC(=O)CCCOCCCCCN 34a_100000762737_100000685027 [1,1,0,0,0,0|2,0,0]=4 4500 B12R0.234 CC(=O)CCCOCCCCCO 34a_100000759063_100000746330 [1,1,0,0,0,0|2,0,0]=4 4501 B12R0.234 CC(=O)CCCOCCCCCO 7a_100000759063_100000746330 [1,1,0,0,0,0|2,0,0]=4 4502 B12R0.234 CC(=O)CCCSCCCCCF 62a_100000729378_100011215641 [1,1,0,0,0,0|2,0,0]=4 4503 B12R0.234 CC(=O)CCCSCCCCCF 62a_100011215641_100000729378 [1,1,0,0,0,0|2,0,0]=4 4504 B12R0.234 CC(=O)CCCSCCCCCO 62a_100000746330_100011215641 [1,1,0,0,0,0|2,0,0]=4 4505 B12R0.234 CC(=O)CCCSCCCCCO 62a_100011215641_100000746330 [1,1,0,0,0,0|2,0,0]=4 4506 B12R0.234 CCCC/C=C/COCCC(=O)C 7a_200016272032_100000053229 [1,1,0,0,0,0|1,0,1]=4 4507 B12R0.234 CCCC/C=C/COCCC(=O)N 34a_200016272032_100000731001 [1,1,0,0,0,0|1,0,1]=4 4508 B12R0.234 CCCC/C=C/COCCC(=O)N 7a_200016272032_100000744528 [1,1,0,0,0,0|1,0,1]=4 4509 B12R0.234 CCCC/C=C\CCOCC(=O)N 34a_200016286491_100000187820 [1,1,0,0,0,0|1,0,1]=4 4510 B12R0.234 CCCC/C=C\CCOCC(=O)N 7a_200016286491_100000187820 [1,1,0,0,0,0|1,0,1]=4 4511 B12R0.234 CCCC/C=C\CCOCC(=O)[O-] 34a_200016286491_100020667443 [1,1,0,0,0,0|0,0,2]=4 4512 B12R0.234 CCCCC/C=C/COCC(=O)N 34a_100016258190_100000187820 [1,1,0,0,0,0|1,0,1]=4 4513 B12R0.234 CCCCC/C=C/COCC(=O)N 7a_100016258190_100000187820 [1,1,0,0,0,0|1,0,1]=4 4514 B12R0.234 CCCCC/C=C/COCC(=O)[O-] 34a_100016258190_100020667443 [1,1,0,0,0,0|0,0,2]=4 4515 B12R0.234 CCCCCC#CCNCC(=O)O 269956a_100016091260_100009816472 [1,1,0,0,0,0|0,0,2]=4 4516 B12R0.234 CCCCCCCCCCC(=O)C 1458a_100000070787_100000210319 [1,1,0,0,0,0|1,0,1]=4 4517 B12R0.234 CCCCCCCCCCC(=O)C 1458a_100000210375_200000210301 [1,1,0,0,0,0|1,0,1]=4 4518 B12R0.234 CCCCCCCCCCC(=O)[13CH3] 1458a_100000210375_200025704644 [1,1,0,0,0,0|1,0,1]=4 4519 B12R0.234 CCCCCCCCCNC(=O)C 11a_100000212291_100015343762 [1,1,0,0,0,0|1,0,1]=4 4520 B12R0.234 CCCCCCCCCNC(=O)C 1626a_100000212291_100015343762 [1,1,0,0,0,0|1,0,1]=4 4521 B12R0.234 CCCCCCCCCNC(=O)C 240690a_100000212291_100015343762 [1,1,0,0,0,0|1,0,1]=4 4522 B12R0.234 CCCCCCCCCNC(=O)C 527a_100000212291_100103153847 [1,1,0,0,0,0|1,0,1]=4 4523 B12R0.234 CCCCCCCCNCC(=O)N 2230a_100000229939_100000747473 [1,1,0,0,0,0|1,0,1]=4 4524 B12R0.234 CCCCCCCCNCC(=O)N 2230a_100000711301_100000210759 [1,1,0,0,0,0|1,0,1]=4 4525 B12R0.234 CCCCCCCCNCC(=O)N 34a_100000229939_100000187820 [1,1,0,0,0,0|1,0,1]=4 4526 B12R0.234 CCCCCCCCNCC(=O)O 269956a_100016091260_100000210759 [1,1,0,0,0,0|0,0,1]=3 4527 B12R0.234 CCCCCCCCNCC(=O)[O-] 34a_100000229939_100020667443 [1,1,0,0,0,0|0,0,2]=4 4528 B12R0.234 CCCCCCCCOCC(=O)C 1458a_100000759886_200000210301 [1,1,0,0,0,0|1,0,1]=4 4529 B12R0.234 CCCCCCCCOCC(=O)C 34a_100000211253_100000210759 [1,1,0,0,0,0|1,0,1]=4 4530 B12R0.234 CCCCCCCCOCC(=O)N 34a_100000210232_100000187820 [1,1,0,0,0,0|1,0,1]=4 4531 B12R0.234 CCCCCCCCOCC(=O)N 7a_100000210232_100000187820 [1,1,0,0,0,0|1,0,1]=4 4532 B12R0.234 CCCCCCCCOCC(=O)[13CH3] 1458a_100000759886_200025704644 [1,1,0,0,0,0|1,0,1]=4 4533 B12R0.234 CCCCCCCCOCC(=O)[O-] 34a_100000210232_100020667443 [1,1,0,0,0,0|0,0,2]=4 4534 B12R0.234 CCCCCCCCSCC(=O)N 62a_100000210759_100000747473 [1,1,0,0,0,0|1,0,1]=4 4535 B12R0.234 CCCCCCCCSCC(=O)N 62a_100000747473_100000210317 [1,1,0,0,0,0|1,0,1]=4 4536 B12R0.234 CCCCCCCCSCC(=O)[O-] 62a_100000210759_100020667443 [1,1,0,0,0,0|0,0,2]=4 4537 B12R0.234 CCCCCCCCSCC(=O)[O-] 62a_100020667443_100000210317 [1,1,0,0,0,0|0,0,2]=4 4538 B12R0.234 CCCCCCCNCCC(=O)N 2230a_100000229938_100000744528 [1,1,0,0,0,0|1,0,1]=4 4539 B12R0.234 CCCCCCCNOCC(=O)O 269956a_100000106656_100000210614 [1,1,0,0,0,0|1,0,1]=4 4540 B12R0.234 CCCCCCCOCCC(=O)C 34a_100000759926_100000210614 [1,1,0,0,0,0|1,0,1]=4 4541 B12R0.234 CCCCCCCOCCC(=O)C 7a_100000210272_100000053229 [1,1,0,0,0,0|1,0,1]=4 4542 B12R0.234 CCCCCCCOCCC(=O)C 7a_100000759926_100000210614 [1,1,0,0,0,0|1,0,1]=4 4543 B12R0.234 CCCCCCCOCCC(=O)N 34a_100000210272_100000731001 [1,1,0,0,0,0|1,0,1]=4 4544 B12R0.234 CCCCCCCOCCC(=O)N 34a_100000757172_100000210614 [1,1,0,0,0,0|1,0,1]=4 4545 B12R0.234 CCCCCCCOCCC(=O)N 7a_100000210272_100000744528 [1,1,0,0,0,0|1,0,1]=4 4546 B12R0.234 CCCCCCCOCCC(=O)N 7a_100000757172_100000210614 [1,1,0,0,0,0|1,0,1]=4 4547 B12R0.234 CCCCCCCSCCC(=O)C 62a_100000053229_100000210316 [1,1,0,0,0,0|1,0,1]=4 4548 B12R0.234 CCCCCCCSCCC(=O)C 62a_100000210614_100000053229 [1,1,0,0,0,0|1,0,1]=4 4549 B12R0.234 CCCCCCCSCCC(=O)N 62a_100000210614_100000744528 [1,1,0,0,0,0|1,0,1]=4 4550 B12R0.234 CCCCCCCSCCC(=O)N 62a_100000744528_100000210316 [1,1,0,0,0,0|1,0,1]=4 4551 B12R0.234 CCCCCCNCCCC(=O)N 34a_100000739312_100000210314 [1,1,0,0,0,0|1,0,1]=4 4552 B12R0.234 CCCCCCOCCCC(=O)C 34a_100000210259_100000685027 [1,1,0,0,0,0|1,0,1]=4 4553 B12R0.234 CCCCCCOCCCC(=O)C 34a_100000759063_100000210314 [1,1,0,0,0,0|1,0,1]=4 4554 B12R0.234 CCCCCCOCCCC(=O)C 7a_100000210259_100011215641 [1,1,0,0,0,0|1,0,1]=4 4555 B12R0.234 CCCCCCOCCCC(=O)C 7a_100000759063_100000210314 [1,1,0,0,0,0|1,0,1]=4 4556 B12R0.234 CCCCCCOCCCC(=O)N 34a_100000210259_100102525003 [1,1,0,0,0,0|1,0,1]=4 4557 B12R0.234 CCCCCCOCCCC(=O)N 7a_100000210259_100102525003 [1,1,0,0,0,0|1,0,1]=4 4558 B12R0.234 CCCCCCSCCCC(=O)C 62a_100000210314_100011215641 [1,1,0,0,0,0|1,0,1]=4 4559 B12R0.234 CCCCCCSCCCC(=O)C 62a_100011215641_100000210757 [1,1,0,0,0,0|1,0,1]=4 4560 B12R0.234 CCCCCCSCCCC(=O)N 62a_100000210314_100102525003 [1,1,0,0,0,0|1,0,1]=4 4561 B12R0.234 CCCCCCSCCCC(=O)N 62a_100102525003_100000210757 [1,1,0,0,0,0|1,0,1]=4 4562 B12R0.234 CCCCCNCCCCC(=O)N 34a_100000696515_100000718602 [1,1,0,0,0,0|1,0,1]=4 4563 B12R0.234 CCCCCNCCCNC(=O)C 34a_100000736810_100000718602 [1,1,0,0,0,0|2,0,0]=4 4564 B12R0.234 CCCCCNCCCSC(=O)C 2230a_100000209983_100000038929 [1,1,0,0,0,0|2,0,0]=4 4565 B12R0.234 CCCCCNCCOCC(=O)N 2230a_100000209983_100000076697 [1,1,0,0,0,0|2,0,0]=4 4566 B12R0.234 CCCCCNCCOCC(=O)N 34a_100000224656_100000187820 [1,1,0,0,0,0|2,0,0]=4 4567 B12R0.234 CCCCCNCCOCC(=O)O 269956a_100000700818_100000210326 [1,1,0,0,0,0|1,0,0]=3 4568 B12R0.234 CCCCCNCCOCC(=O)[O-] 34a_100000224656_100020667443 [1,1,0,0,0,0|1,0,1]=4 4569 B12R0.234 CCCCCOCCCCC(=O)C 34a_100000210253_100009817362 [1,1,0,0,0,0|1,0,1]=4 4570 B12R0.234 CCCCCOCCCCC(=O)C 7a_100000210253_100000735457 [1,1,0,0,0,0|1,0,1]=4 4571 B12R0.234 CCCCCOCCCCC(=O)N 34a_100012022536_100000718602 [1,1,0,0,0,0|1,0,1]=4 4572 B12R0.234 CCCCCOCCCCC(=O)N 7a_100012022536_100000210326 [1,1,0,0,0,0|1,0,1]=4 4573 B12R0.234 CCCCCOCCCNC(=O)C 34a_100000752032_100000718602 [1,1,0,0,0,0|2,0,0]=4 4574 B12R0.234 CCCCCOCCCOC(=O)C 34a_100000210253_100000042594 [1,1,0,0,0,0|2,0,0]=4 4575 B12R0.234 CCCCCOCCCOC(=O)C 7a_100000210253_100000042594 [1,1,0,0,0,0|2,0,0]=4 4576 B12R0.234 CCCCCOCCCSC(=O)C 34a_100000210253_100000038929 [1,1,0,0,0,0|2,0,0]=4 4577 B12R0.234 CCCCCOCCCSC(=O)C 7a_100000210253_100000038929 [1,1,0,0,0,0|2,0,0]=4 4578 B12R0.234 CCCCCOCCOCC(=O)N 34a_100000210253_100000076697 [1,1,0,0,0,0|2,0,0]=4 4579 B12R0.234 CCCCCOCCOCC(=O)N 34a_100011215259_100000187820 [1,1,0,0,0,0|2,0,0]=4 4580 B12R0.234 CCCCCOCCOCC(=O)N 7a_100000210253_100000076697 [1,1,0,0,0,0|2,0,0]=4 4581 B12R0.234 CCCCCOCCOCC(=O)N 7a_100011215259_100000187820 [1,1,0,0,0,0|2,0,0]=4 4582 B12R0.234 CCCCCOCCOCC(=O)[O-] 34a_100011215259_100020667443 [1,1,0,0,0,0|1,0,1]=4 4583 B12R0.234 CCCCCSCCCCC(=O)C 62a_100000210326_100000735457 [1,1,0,0,0,0|1,0,1]=4 4584 B12R0.234 CCCCCSCCCCC(=O)C 62a_100000735457_100000210326 [1,1,0,0,0,0|1,0,1]=4 4585 B12R0.234 CCCCCSCCCOC(=O)C 62a_100000042594_100000210326 [1,1,0,0,0,0|2,0,0]=4 4586 B12R0.234 CCCCCSCCCOC(=O)C 62a_100000210326_100000042594 [1,1,0,0,0,0|2,0,0]=4 4587 B12R0.234 CCCCCSCCCSC(=O)C 62a_100000038929_100000210326 [1,1,0,0,0,0|2,0,0]=4 4588 B12R0.234 CCCCCSCCCSC(=O)C 62a_100000210326_100000038929 [1,1,0,0,0,0|2,0,0]=4 4589 B12R0.234 CCCCCSCCOCC(=O)N 62a_100000076697_100000210326 [1,1,0,0,0,0|2,0,0]=4 4590 B12R0.234 CCCCCSCCOCC(=O)N 62a_100000210326_100000076697 [1,1,0,0,0,0|2,0,0]=4 4591 B12R0.234 CCCCNCCCCCC(=O)N 2230a_100000102301_100009817443 [1,1,0,0,0,0|1,0,1]=4 4592 B12R0.234 CCCCNCCCCCC(=O)N 7a_106832991798_100009817443 [1,1,0,0,0,0|1,0,1]=4 4593 B12R0.234 CCCCOCCCCCC(=O)N 34a_100000123541_100000210210 [1,1,0,0,0,0|1,0,1]=4 4594 B12R0.234 CCCCOCCCCCC(=O)N 34a_100000210227_100009817443 [1,1,0,0,0,0|1,0,1]=4 4595 B12R0.234 CCCCOCCCCCC(=O)N 7a_100000123541_100000210211 [1,1,0,0,0,0|1,0,1]=4 4596 B12R0.234 CCCCOCCCCCC(=O)N 7a_100000210227_100009817443 [1,1,0,0,0,0|1,0,1]=4 4597 B12R0.234 CCCCOCCCCCC(=O)[O-] 7a_100102619762_100000210211 [1,1,0,0,0,0|0,0,2]=4 4598 B12R0.234 CCCCOCNCCCC(=O)N 34a_100000739312_100011995733 [1,1,0,0,0,0|2,0,0]=4 4599 B12R0.234 CCCCOCOCCCC(=O)C 34a_100000759063_100011995733 [1,1,0,0,0,0|2,0,0]=4 4600 B12R0.234 CCCCOCSCCCC(=O)C 62a_100011215641_100011995733 [1,1,0,0,0,0|2,0,0]=4 4601 B12R0.234 CCCCOCSCCCC(=O)C 62a_100011995733_100011215641 [1,1,0,0,0,0|2,0,0]=4 4602 B12R0.234 CCCCOCSCCCC(=O)N 62a_100011995733_100102525003 [1,1,0,0,0,0|2,0,0]=4 4603 B12R0.234 CCCCOCSCCCC(=O)N 62a_100102525003_100011995733 [1,1,0,0,0,0|2,0,0]=4 4604 B12R0.234 CCCCSCCCCCC(=O)N 62a_100000210211_100009817443 [1,1,0,0,0,0|1,0,1]=4 4605 B12R0.234 CCCCSCCCCCC(=O)N 62a_100009817443_100000210210 [1,1,0,0,0,0|1,0,1]=4 4606 B12R0.234 CCCOCCNCCCC(=O)C 34a_100161115042_100000685027 [1,1,0,0,0,0|2,0,0]=4 4607 B12R0.234 CCCOCCNCCCC(=O)N 34a_100000739312_100011215938 [1,1,0,0,0,0|2,0,0]=4 4608 B12R0.234 CCCOCCNCCCC(=O)N 34a_100161115042_100102525003 [1,1,0,0,0,0|2,0,0]=4 4609 B12R0.234 CCCOCCOCCCC(=O)C 34a_100000752267_100000685027 [1,1,0,0,0,0|2,0,0]=4 4610 B12R0.234 CCCOCCOCCCC(=O)C 34a_100000759063_100011215938 [1,1,0,0,0,0|2,0,0]=4 4611 B12R0.234 CCCOCCOCCCC(=O)C 7a_100000752267_100011215641 [1,1,0,0,0,0|2,0,0]=4 4612 B12R0.234 CCCOCCOCCCC(=O)C 7a_100000759063_100011215938 [1,1,0,0,0,0|2,0,0]=4 4613 B12R0.234 CCCOCCOCCCC(=O)N 34a_100000752267_100102525003 [1,1,0,0,0,0|2,0,0]=4 4614 B12R0.234 CCCOCCOCCCC(=O)N 7a_100000752267_100102525003 [1,1,0,0,0,0|2,0,0]=4 4615 B12R0.234 CCCOCCSCCCC(=O)C 62a_100011215641_100011215938 [1,1,0,0,0,0|2,0,0]=4 4616 B12R0.234 CCCOCCSCCCC(=O)C 62a_100011215938_100011215641 [1,1,0,0,0,0|2,0,0]=4 4617 B12R0.234 CCCOCCSCCCC(=O)N 62a_100011215938_100102525003 [1,1,0,0,0,0|2,0,0]=4 4618 B12R0.234 CCCOCCSCCCC(=O)N 62a_100102525003_100011215938 [1,1,0,0,0,0|2,0,0]=4 4619 B12R0.234 CCCSCCOCCCC(=O)C 34a_200000230433_100000685027 [1,1,0,0,0,0|2,0,0]=4 4620 B12R0.234 CCCSCCOCCCC(=O)C 7a_200000230433_100011215641 [1,1,0,0,0,0|2,0,0]=4 4621 B12R0.234 CCCSCCOCCCC(=O)N 34a_200000230433_100102525003 [1,1,0,0,0,0|2,0,0]=4 4622 B12R0.234 CCCSCCOCCCC(=O)N 7a_200000230433_100102525003 [1,1,0,0,0,0|2,0,0]=4 4623 B12R0.234 CCNCCOCCOCC(=O)O 269956a_100009854275_100000210202 [1,1,0,0,0,0|2,0,0]=4 4624 B12R0.234 CCOCCCNCCCC(=O)C 34a_100000210961_100000685027 [1,1,0,0,0,0|2,0,0]=4 4625 B12R0.234 CCOCCCNCCCC(=O)N 34a_100000210961_100102525003 [1,1,0,0,0,0|2,0,0]=4 4626 B12R0.234 CCOCCCNCCCC(=O)N 34a_100000739312_100012232248 [1,1,0,0,0,0|2,0,0]=4 4627 B12R0.234 CCOCCCOCCCC(=O)C 34a_100000757476_100000685027 [1,1,0,0,0,0|2,0,0]=4 4628 B12R0.234 CCOCCCOCCCC(=O)C 34a_100000759063_100012232248 [1,1,0,0,0,0|2,0,0]=4 4629 B12R0.234 CCOCCCOCCCC(=O)C 7a_100000757476_100011215641 [1,1,0,0,0,0|2,0,0]=4 4630 B12R0.234 CCOCCCOCCCC(=O)C 7a_100000759063_100012232248 [1,1,0,0,0,0|2,0,0]=4 4631 B12R0.234 CCOCCCOCCCC(=O)N 34a_100000757476_100102525003 [1,1,0,0,0,0|2,0,0]=4 4632 B12R0.234 CCOCCCOCCCC(=O)N 7a_100000757476_100102525003 [1,1,0,0,0,0|2,0,0]=4 4633 B12R0.234 CCOCCCSCCCC(=O)C 62a_100011215641_100012232248 [1,1,0,0,0,0|2,0,0]=4 4634 B12R0.234 CCOCCCSCCCC(=O)C 62a_100012232248_100011215641 [1,1,0,0,0,0|2,0,0]=4 4635 B12R0.234 CCOCCCSCCCC(=O)N 62a_100012232248_100102525003 [1,1,0,0,0,0|2,0,0]=4 4636 B12R0.234 CCOCCCSCCCC(=O)N 62a_100102525003_100012232248 [1,1,0,0,0,0|2,0,0]=4 4637 B12R0.234 CCOCCNCCOCC(=O)O 269956a_100000700818_100000210147 [1,1,0,0,0,0|2,0,0]=4 4638 B12R0.234 CCOCCOCCNCC(=O)O 269956a_100016091260_100011211534 [1,1,0,0,0,0|2,0,0]=4 4639 B12R0.234 CCSCCCOCCCC(=O)C 34a_100011216438_100000685027 [1,1,0,0,0,0|2,0,0]=4 4640 B12R0.234 CCSCCCOCCCC(=O)C 7a_100011216438_100011215641 [1,1,0,0,0,0|2,0,0]=4 4641 B12R0.234 CCSCCCOCCCC(=O)N 34a_100011216438_100102525003 [1,1,0,0,0,0|2,0,0]=4 4642 B12R0.234 CCSCCCOCCCC(=O)N 7a_100011216438_100102525003 [1,1,0,0,0,0|2,0,0]=4 4643 B12R0.234 CCSCCNCCOCC(=O)O 269956a_100000700818_100000757381 [1,1,0,0,0,0|2,0,0]=4 4644 B12R0.234 COCCCCCCNCC(=O)O 269956a_100016091260_100011998445 [1,1,0,0,0,0|1,0,1]=4 4645 B12R0.234 COCCCCNCCCC(=O)N 34a_100000739312_100000755781 [1,1,0,0,0,0|2,0,0]=4 4646 B12R0.234 COCCCCOCCCC(=O)C 34a_100000740925_100000685027 [1,1,0,0,0,0|2,0,0]=4 4647 B12R0.234 COCCCCOCCCC(=O)C 34a_100000759063_100000755781 [1,1,0,0,0,0|2,0,0]=4 4648 B12R0.234 COCCCCOCCCC(=O)C 7a_100000759063_100000730899 [1,1,0,0,0,0|2,0,0]=4 4649 B12R0.234 COCCCCOCCCC(=O)N 34a_100000740925_100102525003 [1,1,0,0,0,0|2,0,0]=4 4650 B12R0.234 COCCCCSCCCC(=O)C 62a_100000730899_100011215641 [1,1,0,0,0,0|2,0,0]=4 4651 B12R0.234 COCCCCSCCCC(=O)C 62a_100011215641_100000730899 [1,1,0,0,0,0|2,0,0]=4 4652 B12R0.234 COCCCCSCCCC(=O)N 62a_100000730899_100102525003 [1,1,0,0,0,0|2,0,0]=4 4653 B12R0.234 COCCCCSCCCC(=O)N 62a_100102525003_100000730899 [1,1,0,0,0,0|2,0,0]=4 4654 B12R0.234 COCCCNCCOCC(=O)O 269956a_100000700818_100000740836 [1,1,0,0,0,0|2,0,0]=4 4655 B12R0.234 CSCCCCOCCCC(=O)C 34a_100011217163_100000685027 [1,1,0,0,0,0|2,0,0]=4 4656 B12R0.234 CSCCCCOCCCC(=O)C 7a_100011217163_100011215641 [1,1,0,0,0,0|2,0,0]=4 4657 B12R0.234 CSCCCCOCCCC(=O)N 34a_100011217163_100102525003 [1,1,0,0,0,0|2,0,0]=4 4658 B12R0.234 CSCCCCOCCCC(=O)N 7a_100011217163_100102525003 [1,1,0,0,0,0|2,0,0]=4 4659 B12R0.234 NC(=O)CCCNCCCCCF 34a_100000739312_100000729378 [1,1,0,0,0,0|2,0,0]=4 4660 B12R0.234 NC(=O)CCCNCCCCCO 34a_100000739312_100000746330 [1,1,0,0,0,0|2,0,0]=4 4661 B12R0.234 NC(=O)CCCNCCCCCO 34a_100000762737_100102525003 [1,1,0,0,0,0|2,0,0]=4 4662 B12R0.234 NC(=O)CCCOCCCCCBr 34a_100000746331_100102525003 [1,1,0,0,0,0|2,0,0]=4 4663 B12R0.234 NC(=O)CCCOCCCCCBr 7a_100000746331_100102525003 [1,1,0,0,0,0|2,0,0]=4 4664 B12R0.234 NC(=O)CCCOCCCCCCl 34a_100000746330_100102525003 [1,1,0,0,0,0|2,0,0]=4 4665 B12R0.234 NC(=O)CCCOCCCCCCl 7a_100000746330_100102525003 [1,1,0,0,0,0|2,0,0]=4 4666 B12R0.234 NC(=O)CCCOCCCCCI 34a_200012148887_100102525003 [1,1,0,0,0,0|2,0,0]=4 4667 B12R0.234 NC(=O)CCCOCCCCCI 7a_200012148887_100102525003 [1,1,0,0,0,0|2,0,0]=4 4668 B12R0.234 NC(=O)CCCSCCCCCF 62a_100000729378_100102525003 [1,1,0,0,0,0|2,0,0]=4 4669 B12R0.234 NC(=O)CCCSCCCCCF 62a_100102525003_100000729378 [1,1,0,0,0,0|2,0,0]=4 4670 B12R0.234 NC(=O)CCCSCCCCCO 62a_100000746330_100102525003 [1,1,0,0,0,0|2,0,0]=4 4671 B12R0.234 NC(=O)CCCSCCCCCO 62a_100102525003_100000746330 [1,1,0,0,0,0|2,0,0]=4 4672 B12R0.234 NCCCCCOCCCC(=O)N 34a_100000762737_100102525003 [1,1,0,0,0,0|2,0,0]=4 4673 B12R0.234 O=C(O)CNCCCCCCCO 269956a_100016091260_100000760002 [1,1,0,0,0,0|1,0,1]=4 4674 B12R0.234 O=C(O)COCCNCCCCF 269956a_100000700818_100000729493 [1,1,0,0,0,0|2,0,0]=4 4675 B12R0.234 O=C(O)COCCNCCCCO 269956a_100000700818_100000210776 [1,1,0,0,0,0|2,0,0]=4 4676 B12R0.234 [13CH3]C(=O)CCCCCCCCCF 1458a_200009909015_200025704644 [1,1,0,0,0,0|1,0,1]=4 4677 B12R0.248 C#CC(=O)CCCCCCCCC 1458a_100000211873_100000210670 [1,1,0,0,0,0|1,0,1]=4 4678 B12R0.248 C=CC(=O)CCCCCCCCC 1458a_100000185746_100000210670 [1,1,0,0,0,0|1,0,1]=4 4679 B12R0.248 CCCC/C=C/COCC(=O)OC 34a_200016272032_100000747449 [1,1,0,0,0,0|1,0,1]=4 4680 B12R0.248 CCCC/C=C/COCC(=O)OC 7a_200016272032_100000747449 [1,1,0,0,0,0|1,0,1]=4 4681 B12R0.248 CCCCC#CCCCC(=O)CO 1458a_100000210174_200000047210 [1,1,0,0,0,0|0,0,2]=4 4682 B12R0.248 CCCCC/C=C/CCC(=O)CC 1458a_200015255902_100000210202 [1,1,0,0,0,0|1,0,1]=4 4683 B12R0.248 CCCCC/C=C/CCC(=O)CF 1458a_200015255902_100015361967 [1,1,0,0,0,0|1,0,1]=4 4684 B12R0.248 CCCCC/C=C/CCC(=O)NC 11a_106832991635_200015255902 [1,1,0,0,0,0|1,0,1]=4 4685 B12R0.248 CCCCC/C=C/CCC(=O)NC 1626a_100102657272_200015255902 [1,1,0,0,0,0|1,0,1]=4 4686 B12R0.248 CCCCC/C=C/CCC(=O)NC 240690a_100102657272_200015255902 [1,1,0,0,0,0|1,0,1]=4 4687 B12R0.248 CCCCC/C=C/CCC(=O)NC 527a_100102657272_200015255902 [1,1,0,0,0,0|1,0,1]=4 4688 B12R0.248 CCCCCCCCCC(=O)CC 1458a_100000210414_100000210670 [1,1,0,0,0,0|1,0,1]=4 4689 B12R0.248 CCCCCCCCCC(=O)CC 1458a_100000210558_100000210202 [1,1,0,0,0,0|1,0,1]=4 4690 B12R0.248 CCCCCCCCCC(=O)CF 1458a_100000210558_100015361967 [1,1,0,0,0,0|1,0,1]=4 4691 B12R0.248 CCCCCCCCCC(=O)CO 1458a_100000210174_100000210670 [1,1,0,0,0,0|0,0,1]=3 4692 B12R0.248 CCCCCCCCCC(=O)NC 11a_106832991635_100000210558 [1,1,0,0,0,0|1,0,1]=4 4693 B12R0.248 CCCCCCCCCC(=O)NC 1626a_100102657272_100000210558 [1,1,0,0,0,0|1,0,1]=4 4694 B12R0.248 CCCCCCCCCC(=O)NC 240690a_100102657272_100000210558 [1,1,0,0,0,0|1,0,1]=4 4695 B12R0.248 CCCCCCCCCC(=O)NC 527a_100102657272_100000210558 [1,1,0,0,0,0|1,0,1]=4 4696 B12R0.248 CCCCCCCCNC(=O)CO 240690a_100000229939_100000210174 [1,1,0,0,0,0|1,0,1]=4 4697 B12R0.248 CCCCCCCCNC(=O)CO 527a_100000229939_100000210174 [1,1,0,0,0,0|1,0,1]=4 4698 B12R0.248 CCCCCCCNCC(=O)OC 2230a_100000229938_100000747449 [1,1,0,0,0,0|1,0,1]=4 4699 B12R0.248 CCCCCCCOCC(=O)OC 34a_100000210272_100000747449 [1,1,0,0,0,0|1,0,1]=4 4700 B12R0.248 CCCCCCCOCC(=O)OC 7a_100000210272_100000747449 [1,1,0,0,0,0|1,0,1]=4 4701 B12R0.248 CCCCCCCSCC(=O)OC 62a_100000210614_100000747449 [1,1,0,0,0,0|1,0,1]=4 4702 B12R0.248 CCCCCCCSCC(=O)OC 62a_100000747449_100000210316 [1,1,0,0,0,0|1,0,1]=4 4703 B12R0.248 CCCCCCNCCC(=O)OC 2230a_100000210581_100000204255 [1,1,0,0,0,0|1,0,1]=4 4704 B12R0.248 CCCCCCOCCC(=O)OC 34a_100000210259_100000742370 [1,1,0,0,0,0|1,0,1]=4 4705 B12R0.248 CCCCCCOCCC(=O)OC 7a_100000210259_100000204255 [1,1,0,0,0,0|1,0,1]=4 4706 B12R0.248 CCCCCCSCCC(=O)OC 62a_100000204255_100000210757 [1,1,0,0,0,0|1,0,1]=4 4707 B12R0.248 CCCCCCSCCC(=O)OC 62a_100000210314_100000204255 [1,1,0,0,0,0|1,0,1]=4 4708 B12R0.248 CCCCCNCCCC(=O)NC 2230a_100000209983_100000741757 [1,1,0,0,0,0|2,0,0]=4 4709 B12R0.248 CCCCCNCCCC(=O)NC 2230a_100000740002_100000210326 [1,1,0,0,0,0|2,0,0]=4 4710 B12R0.248 CCCCCNCCCC(=O)NC 34a_100000740002_100000718602 [1,1,0,0,0,0|2,0,0]=4 4711 B12R0.248 CCCCCNCCCC(=O)OC 2230a_100000209983_100011218270 [1,1,0,0,0,0|1,0,0]=3 4712 B12R0.248 CCCCCOCCCC(=O)NC 34a_100000210253_100000741757 [1,1,0,0,0,0|2,0,0]=4 4713 B12R0.248 CCCCCOCCCC(=O)NC 7a_100000210253_100000741757 [1,1,0,0,0,0|2,0,0]=4 4714 B12R0.248 CCCCCOCCCC(=O)NN 34a_100000211488_100000718602 [1,1,0,0,0,0|2,0,0]=4 4715 B12R0.248 CCCCCOCCCC(=O)OC 34a_100000210253_100000742333 [1,1,0,0,0,0|1,0,0]=3 4716 B12R0.248 CCCCCOCCCC(=O)OC 7a_100000210253_100011218270 [1,1,0,0,0,0|1,0,0]=3 4717 B12R0.248 CCCCCOCCNC(=O)OC 34a_100000757965_100000718602 [1,1,0,0,0,0|2,0,0]=4 4718 B12R0.248 CCCCCOCCOC(=O)OC 34a_100010262106_100000718602 [1,1,0,0,0,0|2,0,0]=4 4719 B12R0.248 CCCCCSCCCC(=O)NC 62a_100000210326_100000741757 [1,1,0,0,0,0|2,0,0]=4 4720 B12R0.248 CCCCCSCCCC(=O)NC 62a_100000741757_100000210326 [1,1,0,0,0,0|2,0,0]=4 4721 B12R0.248 CCCCCSCCCC(=O)OC 62a_100000210326_100011218270 [1,1,0,0,0,0|1,0,0]=3 4722 B12R0.248 CCCCCSCCCC(=O)OC 62a_100011218270_100000210326 [1,1,0,0,0,0|1,0,0]=3 4723 B12R0.248 CCCCNCCCCC(=O)OC 2230a_100000102301_100000204269 [1,1,0,0,0,0|1,0,1]=4 4724 B12R0.248 CCCCNCCCCC(=O)OC 7a_106832991798_100000204269 [1,1,0,0,0,0|1,0,1]=4 4725 B12R0.248 CCCCOCCCCC(=O)OC 34a_100000059025_100000210210 [1,1,0,0,0,0|1,0,1]=4 4726 B12R0.248 CCCCOCCCCC(=O)OC 34a_100000210227_100000204269 [1,1,0,0,0,0|1,0,1]=4 4727 B12R0.248 CCCCOCCCCC(=O)OC 7a_100000059025_100000210211 [1,1,0,0,0,0|1,0,1]=4 4728 B12R0.248 CCCCOCCCCC(=O)OC 7a_100000210227_100000204269 [1,1,0,0,0,0|1,0,1]=4 4729 B12R0.248 CCCCSCCCCC(=O)OC 62a_100000204269_100000210210 [1,1,0,0,0,0|1,0,1]=4 4730 B12R0.248 CCCCSCCCCC(=O)OC 62a_100000210211_100000204269 [1,1,0,0,0,0|1,0,1]=4 4731 B12R0.248 CCCNN=CCCCC(=O)OC 4a_100000740057_100000094087 [1,1,0,0,0,0|2,0,0]=4 4732 B12R0.248 CCCOCCCCCC(=O)OC 34a_100000074720_100000210303 [1,1,0,0,0,0|1,0,1]=4 4733 B12R0.248 CCCOCCCCCC(=O)OC 34a_100000210258_100009816466 [1,1,0,0,0,0|1,0,1]=4 4734 B12R0.248 CCCOCCCCCC(=O)OC 7a_100000074720_100000210303 [1,1,0,0,0,0|1,0,1]=4 4735 B12R0.248 CCCSCCCCCC(=O)OC 62a_100000210303_100009816466 [1,1,0,0,0,0|1,0,1]=4 4736 B12R0.248 CCCSCCCCCC(=O)OC 62a_100009816466_100000210303 [1,1,0,0,0,0|1,0,1]=4 4737 B12R0.248 CCNCCCCCCC(=O)OC 2230a_100015525214_100009815986 [1,1,0,0,0,0|1,0,1]=4 4738 B12R0.248 CCOCCCCCCC(=O)OC 34a_100009863599_100000210202 [1,1,0,0,0,0|1,0,1]=4 4739 B12R0.248 CCOCCCCCCC(=O)OC 34a_100121572206_100009815986 [1,1,0,0,0,0|1,0,1]=4 4740 B12R0.248 CCOCCCCCCC(=O)OC 7a_100009863599_100000210202 [1,1,0,0,0,0|1,0,1]=4 4741 B12R0.248 CCOCCNCCCC(=O)OC 2230a_102516460346_100011218270 [1,1,0,0,0,0|2,0,0]=4 4742 B12R0.248 CCOCCNCCCC(=O)OC 34a_102516460346_100000742333 [1,1,0,0,0,0|2,0,0]=4 4743 B12R0.248 CCOCCOCCCC(=O)OC 34a_100000210136_100000742333 [1,1,0,0,0,0|2,0,0]=4 4744 B12R0.248 CCOCCOCCCC(=O)OC 7a_100000210136_100011218270 [1,1,0,0,0,0|2,0,0]=4 4745 B12R0.248 CCOCCSCCCC(=O)OC 62a_100000210147_100011218270 [1,1,0,0,0,0|2,0,0]=4 4746 B12R0.248 CCOCCSCCCC(=O)OC 62a_100011218270_100011215890 [1,1,0,0,0,0|2,0,0]=4 4747 B12R0.248 CCSCCCCCCC(=O)OC 62a_100000210202_100009815986 [1,1,0,0,0,0|1,0,1]=4 4748 B12R0.248 CCSCCCCCCC(=O)OC 62a_100009815986_100000210202 [1,1,0,0,0,0|1,0,1]=4 4749 B12R0.248 CCSCCNCCCC(=O)OC 2230a_100000106463_100011218270 [1,1,0,0,0,0|2,0,0]=4 4750 B12R0.248 CCSCCOCCCC(=O)OC 34a_100000212035_100000742333 [1,1,0,0,0,0|2,0,0]=4 4751 B12R0.248 CCSCCOCCCC(=O)OC 7a_100000212035_100011218270 [1,1,0,0,0,0|2,0,0]=4 4752 B12R0.248 CCSCCSCCCC(=O)OC 62a_100000757381_100011218270 [1,1,0,0,0,0|2,0,0]=4 4753 B12R0.248 CCSCCSCCCC(=O)OC 62a_100011218270_100000757381 [1,1,0,0,0,0|2,0,0]=4 4754 B12R0.248 CNCCCCCCCC(=O)OC 2230a_106832991635_100010004213 [1,1,0,0,0,0|1,0,1]=4 4755 B12R0.248 CNCCCCCCCC(=O)OC 34a_100102657272_100010004213 [1,1,0,0,0,0|1,0,1]=4 4756 B12R0.248 CNCCCCCCCC(=O)OC 7a_106832991635_100010004213 [1,1,0,0,0,0|1,0,1]=4 4757 B12R0.248 CNCCCOCCCC(=O)OC 34a_100000213112_100000742333 [1,1,0,0,0,0|2,0,0]=4 4758 B12R0.248 COC(=O)CCCCCCCO[13CH3] 34a_100011022521_200025704644 [1,1,0,0,0,0|1,0,1]=4 4759 B12R0.248 COC(=O)CCCCCCCO[13CH3] 7a_100011022521_200025704644 [1,1,0,0,0,0|1,0,1]=4 4760 B12R0.248 COC(=O)CCCCCCCSC 62a_100010004213_200000210301 [1,1,0,0,0,0|1,0,1]=4 4761 B12R0.248 COC(=O)CCCCCCCSC 62a_200000210301_100010004213 [1,1,0,0,0,0|1,0,1]=4 4762 B12R0.248 COC(=O)CCCCCCCS[13CH3] 62a_100010004213_200025704644 [1,1,0,0,0,0|1,0,1]=4 4763 B12R0.248 COC(=O)CCCCCCCS[13CH3] 62a_200025704644_100010004213 [1,1,0,0,0,0|1,0,1]=4 4764 B12R0.248 COC(=O)CCCNCCCCO 2230a_100000750430_100011218270 [1,1,0,0,0,0|2,0,0]=4 4765 B12R0.248 COC(=O)CCCNCCCCO 34a_100000750430_100000742333 [1,1,0,0,0,0|2,0,0]=4 4766 B12R0.248 COC(=O)CCCNCCCSC 2230a_100000749238_100011218270 [1,1,0,0,0,0|2,0,0]=4 4767 B12R0.248 COC(=O)CCCOCCCCBr 34a_100011216708_100000742333 [1,1,0,0,0,0|2,0,0]=4 4768 B12R0.248 COC(=O)CCCOCCCCCl 34a_100000210776_100000742333 [1,1,0,0,0,0|2,0,0]=4 4769 B12R0.248 COC(=O)CCCOCCCCCl 7a_100000210776_100011218270 [1,1,0,0,0,0|2,0,0]=4 4770 B12R0.248 COC(=O)CCCOCCCCF 34a_100011995726_100000742333 [1,1,0,0,0,0|2,0,0]=4 4771 B12R0.248 COC(=O)CCCOCCCCF 7a_100011995726_100011218270 [1,1,0,0,0,0|2,0,0]=4 4772 B12R0.248 COC(=O)CCCOCCCCI 34a_200012148704_100000742333 [1,1,0,0,0,0|2,0,0]=4 4773 B12R0.248 COC(=O)CCCOCCCCN 34a_100000750430_100000742333 [1,1,0,0,0,0|2,0,0]=4 4774 B12R0.248 COC(=O)CCCOCCCSC 34a_100000690336_100000742333 [1,1,0,0,0,0|2,0,0]=4 4775 B12R0.248 COC(=O)CCCOCCCSC 7a_100000690336_100011218270 [1,1,0,0,0,0|2,0,0]=4 4776 B12R0.248 COC(=O)CCCSCCCCF 62a_100000729493_100011218270 [1,1,0,0,0,0|2,0,0]=4 4777 B12R0.248 COC(=O)CCCSCCCCF 62a_100011218270_100000729493 [1,1,0,0,0,0|2,0,0]=4 4778 B12R0.248 COC(=O)CCCSCCCCO 62a_100000210776_100011218270 [1,1,0,0,0,0|2,0,0]=4 4779 B12R0.248 COC(=O)CCCSCCCCO 62a_100011218270_100000210776 [1,1,0,0,0,0|2,0,0]=4 4780 B12R0.248 COCCCCCCCC(=O)OC 34a_100011022521_200000210301 [1,1,0,0,0,0|1,0,1]=4 4781 B12R0.248 COCCCCCCCC(=O)OC 34a_100138415774_100010004213 [1,1,0,0,0,0|1,0,1]=4 4782 B12R0.248 COCCCCCCCC(=O)OC 7a_100011022521_200000210301 [1,1,0,0,0,0|1,0,1]=4 4783 B12R0.248 COCCCNCCCC(=O)OC 34a_100150723488_100000742333 [1,1,0,0,0,0|2,0,0]=4 4784 B12R0.248 COCCCOCCCC(=O)OC 34a_100000740835_100000742333 [1,1,0,0,0,0|2,0,0]=4 4785 B12R0.248 COCCCSCCCC(=O)OC 62a_100000709357_100011218270 [1,1,0,0,0,0|2,0,0]=4 4786 B12R0.248 COCCCSCCCC(=O)OC 62a_100011218270_100000709357 [1,1,0,0,0,0|2,0,0]=4 4787 B12R0.248 O=C(CO)CCCCCCCCO 1458a_100000210174_100000033203 [1,1,0,0,0,0|1,0,1]=4 4788 B12R0.251 CCCCCCCCC(O)C(=O)C 1458a_200011995895_200000210301 [1,1,0,0,0,0|1,0,1]=4 4789 B12R0.251 CCCCCCCCC(O)C(=O)[13CH3] 1458a_200011995895_200025704644 [1,1,0,0,0,0|1,0,1]=4 4790 B12R0.251 CCCCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210614 [1,1,0,0,0,0|1,0,1]=4 4791 B12R0.251 CCCCCCNCC(C)C(=O)O 269956a_100000749485_100000210757 [1,1,0,0,0,0|1,0,1]=4 4792 B12R0.251 CCCCCCNCC(F)C(=O)O 269956a_100000084737_100000210757 [1,1,0,0,0,0|1,0,1]=4 4793 B12R0.255 CCCCCCC(C)NCC(=O)O 269956a_100016091260_100011215978 [1,1,0,0,0,0|1,0,1]=4 4794 B12R0.268 CC(=O)CCCNCCCC(C)C 34a_200000737386_100000685027 [1,1,0,0,0,0|2,0,0]=4 4795 B12R0.268 CC(=O)CCCOCCCC(C)C 34a_100000210774_100000685027 [1,1,0,0,0,0|2,0,0]=4 4796 B12R0.268 CC(=O)CCCOCCCC(C)C 34a_100000759063_100011214892 [1,1,0,0,0,0|2,0,0]=4 4797 B12R0.268 CC(=O)CCCOCCCC(C)C 7a_100000210774_100011215641 [1,1,0,0,0,0|2,0,0]=4 4798 B12R0.268 CC(=O)CCCOCCCC(C)C 7a_100000759063_100011214892 [1,1,0,0,0,0|2,0,0]=4 4799 B12R0.268 CC(=O)CCCOCCCC(C)O 34a_100000759063_200000718107 [1,1,0,0,0,0|2,0,0]=4 4800 B12R0.268 CC(=O)CCCOCCCC(C)O 7a_100000759063_200000718107 [1,1,0,0,0,0|2,0,0]=4 4801 B12R0.268 CC(=O)CCCSCCCC(C)C 62a_100011214892_100011215641 [1,1,0,0,0,0|2,0,0]=4 4802 B12R0.268 CC(=O)CCCSCCCC(C)C 62a_100011215641_100011214892 [1,1,0,0,0,0|2,0,0]=4 4803 B12R0.268 CC(=O)CCCSCCCC(C)O 62a_100011215641_200000718107 [1,1,0,0,0,0|2,0,0]=4 4804 B12R0.268 CC(=O)CCCSCCCC(C)O 62a_200000718107_100011215641 [1,1,0,0,0,0|2,0,0]=4 4805 B12R0.268 CC(C)CCCCCNCC(=O)O 269956a_100016091260_100000210682 [1,1,0,0,0,0|1,0,1]=4 4806 B12R0.268 CC(C)CCCNCCCC(=O)N 34a_100000739312_100011214892 [1,1,0,0,0,0|2,0,0]=4 4807 B12R0.268 CC(C)CCCNCCCC(=O)N 34a_200000737386_100102525003 [1,1,0,0,0,0|2,0,0]=4 4808 B12R0.268 CC(C)CCCOCCCC(=O)N 34a_100000210774_100102525003 [1,1,0,0,0,0|2,0,0]=4 4809 B12R0.268 CC(C)CCCOCCCC(=O)N 7a_100000210774_100102525003 [1,1,0,0,0,0|2,0,0]=4 4810 B12R0.268 CC(C)CCCSCCCC(=O)N 62a_100011214892_100102525003 [1,1,0,0,0,0|2,0,0]=4 4811 B12R0.268 CC(C)CCCSCCCC(=O)N 62a_100102525003_100011214892 [1,1,0,0,0,0|2,0,0]=4 4812 B12R0.268 CC(O)CCCNCCCC(=O)N 34a_100000739312_200000718107 [1,1,0,0,0,0|2,0,0]=4 4813 B12R0.268 CC(O)CCCSCCCC(=O)N 62a_100102525003_200000718107 [1,1,0,0,0,0|2,0,0]=4 4814 B12R0.268 CC(O)CCCSCCCC(=O)N 62a_200000718107_100102525003 [1,1,0,0,0,0|2,0,0]=4 4815 B12R0.277 CCCC(C)CNCCCC(=O)N 34a_100000739312_100011216630 [1,1,0,0,0,0|2,0,0]=4 4816 B12R0.277 CCCC(C)COCCCC(=O)C 34a_100000688023_100000685027 [1,1,0,0,0,0|2,0,0]=4 4817 B12R0.277 CCCC(C)COCCCC(=O)C 34a_100000759063_100011216630 [1,1,0,0,0,0|2,0,0]=4 4818 B12R0.277 CCCC(C)COCCCC(=O)C 7a_100000688023_100011215641 [1,1,0,0,0,0|2,0,0]=4 4819 B12R0.277 CCCC(C)COCCCC(=O)C 7a_100000759063_100011216630 [1,1,0,0,0,0|2,0,0]=4 4820 B12R0.277 CCCC(C)COCCCC(=O)N 34a_100000688023_100102525003 [1,1,0,0,0,0|2,0,0]=4 4821 B12R0.277 CCCC(C)COCCCC(=O)N 7a_100000688023_100102525003 [1,1,0,0,0,0|2,0,0]=4 4822 B12R0.277 CCCC(C)CSCCCC(=O)C 62a_100011215641_100011216630 [1,1,0,0,0,0|2,0,0]=4 4823 B12R0.277 CCCC(C)CSCCCC(=O)C 62a_100011216630_100011215641 [1,1,0,0,0,0|2,0,0]=4 4824 B12R0.277 CCCC(C)CSCCCC(=O)N 62a_100011216630_100102525003 [1,1,0,0,0,0|2,0,0]=4 4825 B12R0.277 CCCC(C)CSCCCC(=O)N 62a_100102525003_100011216630 [1,1,0,0,0,0|2,0,0]=4 4826 B12R0.277 CCC[C@H](N)COCCCC(=O)C 34a_100000732646_100000685027 [1,1,0,0,0,0|2,0,0]=4 4827 B12R0.277 CCC[C@H](N)COCCCC(=O)N 34a_100000732646_100102525003 [1,1,0,0,0,0|2,0,0]=4 4828 B12R0.123 CCCCCC(=O)CC(=O)C(=O)C 1458a_100000212188_100011261029 [0,1,0,0,1,0|1,0,1]=4 4829 B12R0.123 CCCCCC(=O)CN(C)C(=O)C 1458a_100000194957_100000210326 [0,1,0,0,1,0|2,0,0]=4 4830 B12R0.123 CCCCCC(=O)CN(C)C(=O)N 1458a_100000218718_100000210326 [0,1,0,0,1,0|2,0,0]=4 4831 B12R0.123 CCCCCC(=O)N[C@H](C)C(=O)N 11a_100000119354_100000212188 [0,1,0,0,1,0|2,0,0]=4 4832 B12R0.123 CCCCCC(=O)N[C@H](C)C(=O)N 240690a_100000119354_100000212188 [0,1,0,0,1,0|2,0,0]=4 4833 B12R0.123 CCCCCC(=O)N[C@H](C)C(=O)N 527a_100000119354_100000212188 [0,1,0,0,1,0|2,0,0]=4 4834 B12R0.123 CCCNCC(=O)N[C@@H](C)C(=O)O 269956a_100011417567_100000210207 [0,1,0,0,1,0|2,0,0]=4 4835 B12R0.141 CCCCCC(=O)C(C)OC(=O)C 1458a_100000212188_100009818208 [0,1,0,0,1,0|2,0,0]=4 4836 B12R0.141 CCCCCC(=O)N(C)CC(=O)N 11a_100000739694_100000212188 [0,1,0,0,1,0|2,0,0]=4 4837 B12R0.141 CCCCCC(=O)N(C)CC(=O)N 527a_100000739694_100000212188 [0,1,0,0,1,0|2,0,0]=4 4838 B12R0.141 CCCCCC(=O)[C@@H](C)NC(=O)C 1458a_100011504603_100000210326 [0,1,0,0,1,0|2,0,0]=4 4839 B12R0.141 CCCCCC(=O)[C@H](C)OC(=O)C 1458a_100009816467_100000210326 [0,1,0,0,1,0|2,0,0]=4 4840 B12R0.141 CCCNCC(=O)N(C)CC(=O)O 269956a_100011216108_100000210207 [0,1,0,0,1,0|2,0,0]=4 4841 B12R0.189 C=C(C)CCC(=O)CCC(C)CC 1458a_100000701222_100000730704 [0,1,0,0,1,0|2,0,0]=4 4842 B12R0.189 CCC(C)CCC(=O)CCC(C)O 1458a_100000701222_100012276601 [0,1,0,0,1,0|1,0,1]=4 4843 B12R0.189 CCC(C)CCC(=O)NCC(=O)N 11a_100000711301_100000701222 [0,1,0,0,1,0|2,0,0]=4 4844 B12R0.189 CCC(C)CCC(=O)NCC(=O)N 240690a_100000711301_100000701222 [0,1,0,0,1,0|2,0,0]=4 4845 B12R0.189 CCC(C)CCC(=O)NCC(=O)N 527a_100000711301_100000701222 [0,1,0,0,1,0|2,0,0]=4 4846 B12R0.189 CCC(C)CNC(=O)CCC(=O)N 240690a_100020588543_100011215257 [0,1,0,0,1,0|2,0,0]=4 4847 B12R0.189 CCC(C)CNC(=O)CCC(=O)N 527a_100020588543_100011215257 [0,1,0,0,1,0|2,0,0]=4 4848 B12R0.189 CCC(C)NCC(=O)NCC(=O)O 269956a_100000183575_100000758301 [0,1,0,0,1,0|2,0,0]=4 4849 B12R0.189 CCC(O)CCC(=O)NCC(=O)N 240690a_100000711301_203496584001 [0,1,0,0,1,0|2,0,0]=4 4850 B12R0.189 CCC(O)CNC(=O)CCC(=O)N 240690a_100011218483_100011215257 [0,1,0,0,1,0|2,0,0]=4 4851 B12R0.189 CCC(O)CNC(=O)CCC(=O)N 527a_100011218483_100011215257 [0,1,0,0,1,0|2,0,0]=4 4852 B12R0.283 C=C(C)CCC(=O)CC(C)CCC 1458a_100000748435_100000730704 [0,1,0,0,1,0|2,0,0]=4 4853 B12R0.283 C=C(C)CCC(=O)CC(C)CCC 1458a_200000688413_100011216630 [0,1,0,0,1,0|2,0,0]=4 4854 B12R0.283 CCCC(=O)CC(=O)CCC(=O)N 1458a_100011215257_100000747444 [0,1,0,0,1,0|1,0,1]=4 4855 B12R0.283 CCCC(C)CC(=O)CCC(=O)N 1458a_100011215257_100011216630 [0,1,0,0,1,0|1,0,0]=3 4856 B12R0.283 CCCC(C)CC(=O)CCC(C)O 1458a_100000748435_100012276601 [0,1,0,0,1,0|1,0,1]=4 4857 B12R0.283 CCCC(C)CC(=O)CC[N+](=O)[O-] 1458a_200000064761_100011216630 [0,1,0,0,1,0|1,0,1]=4 4858 B12R0.283 CCCC(C)CC(=O)CNC(=O)C 1458a_100000194580_100011216630 [0,1,0,0,1,0|2,0,0]=4 4859 B12R0.283 CCCC(C)CC(=O)CNC(=O)N 1458a_100000184981_100011216630 [0,1,0,0,1,0|2,0,0]=4 4860 B12R0.283 CCCC(C)CC(=O)COC(=O)C 1458a_100000183556_100011216630 [0,1,0,0,1,0|2,0,0]=4 4861 B12R0.283 CCCC(C)CC(=O)CSC(=O)C 1458a_100000049016_100011216630 [0,1,0,0,1,0|2,0,0]=4 4862 B12R0.283 CCCC(C)CC(=O)NCC(=O)N 11a_100000711301_100000748435 [0,1,0,0,1,0|2,0,0]=4 4863 B12R0.283 CCCC(C)CC(=O)NCC(=O)N 240690a_100000711301_100000748435 [0,1,0,0,1,0|2,0,0]=4 4864 B12R0.283 CCCC(C)CC(=O)NCC(=O)N 527a_100000711301_100000748435 [0,1,0,0,1,0|2,0,0]=4 4865 B12R0.283 CCCC(C)NC(=O)CCC(=O)N 240690a_100000741246_100011215257 [0,1,0,0,1,0|2,0,0]=4 4866 B12R0.283 CCCC(C)NC(=O)CCC(=O)N 527a_100000741246_100011215257 [0,1,0,0,1,0|2,0,0]=4 4867 B12R0.649 CCCCCC(=O)CCS(=O)(=O)C 1458a_100000212188_100000731031 [0,1,0,0,1,0|1,0,1]=4 4868 B12R0.649 CCCCCC(=O)CCS(=O)(=O)C 1458a_100000737124_100000210326 [0,1,0,0,1,0|1,0,1]=4 4869 B12R0.649 CCCCCC(=O)CCS(=O)(=O)N 1458a_100000737202_100000210326 [0,1,0,0,1,0|1,0,1]=4 4870 B12R0.649 CCCCCC(=O)CCS(=O)(=O)[O-] 1458a_100000212188_100000762736 [0,1,0,0,1,0|1,0,1]=4 4871 B14R0.46 CCCCC(C)C(=O)CCCCB(O)O 1458a_100000725509_200009817182 [0,1,0,0,0,1|1,0,1]=4 4872 B14R0.46 CCCCC(C)C(=O)CCCCC(=O)C 1458a_100000725509_100000735457 [0,1,0,0,0,1|1,0,0]=3 4873 B14R0.46 CCCCC(C)C(=O)CCCN=C(N)N 1458a_100000034108_200011215066 [0,1,0,0,0,1|2,0,0]=4 4874 B14R0.46 CCCCC(C)C(=O)CCCNC(=O)C 1458a_100000194741_200011215066 [0,1,0,0,0,1|1,0,0]=3 4875 B14R0.46 CCCCC(C)C(=O)CCCOC(=O)C 1458a_100000725509_100000042594 [0,1,0,0,0,1|1,0,0]=3 4876 B14R0.46 CCCCC(C)C(=O)CCCOC(=S)C 1458a_100000725509_200135323944 [0,1,0,0,0,1|1,1,0]=4 4877 B14R0.46 CCCCC(C)C(=O)CCCSC(=O)C 1458a_100000725509_100000038929 [0,1,0,0,0,1|1,0,0]=3 4878 B14R0.46 CCCCC(C)C(=O)CCOCC(=O)N 1458a_100000725509_100000076697 [0,1,0,0,0,1|1,0,0]=3 4879 B14R0.46 CCCCC(C)C(=O)CCSCC(=O)N 1458a_100000148550_200011215066 [0,1,0,0,0,1|1,0,0]=3 4880 B14R0.46 CCCCC(C)C(=O)NCCCC(=O)N 240690a_100000739312_100000725509 [0,1,0,0,0,1|1,0,0]=3 4881 B14R0.46 CCCCC(C)C(=O)NCCCC(=O)N 527a_100000739312_100000725509 [0,1,0,0,0,1|1,0,0]=3 4882 B14R0.46 CCCCC(C)C(=O)NCCCS(=O)C 11a_200000753449_100000725509 [0,1,0,0,0,1|2,0,0]=4 4883 B14R0.46 CCCCC(C)C(=O)NCCCS(=O)C 240690a_200000753449_100000725509 [0,1,0,0,0,1|2,0,0]=4 4884 B14R0.46 CCCCC(C)C(=O)NCCCS(=O)C 527a_200000753449_100000725509 [0,1,0,0,0,1|2,0,0]=4 4885 B14R0.46 CCCCC(C)C(=O)NCCNC(=O)C 240690a_100000209853_100000725509 [0,1,0,0,0,1|2,0,0]=4 4886 B14R0.46 CCCCC(C)C(=O)NCCNC(=O)C 527a_100000209853_100000725509 [0,1,0,0,0,1|2,0,0]=4 4887 B14R0.46 CCCCC(C)C(=O)NCCNC(=O)N 240690a_100020590234_100000725509 [0,1,0,0,0,1|2,0,0]=4 4888 B14R0.46 CCCCC(C)C(=O)NCCNC(=O)N 527a_100020590234_100000725509 [0,1,0,0,0,1|2,0,0]=4 4889 B14R0.46 CCCCC(C)C(=O)NCCOC(=O)C 11a_100000724843_100000725509 [0,1,0,0,0,1|2,0,0]=4 4890 B14R0.46 CCCCC(C)C(=O)NCCOC(=O)C 240690a_100000724843_100000725509 [0,1,0,0,0,1|2,0,0]=4 4891 B14R0.46 CCCCC(C)C(=O)NCCOC(=O)C 527a_100000724843_100000725509 [0,1,0,0,0,1|2,0,0]=4 4892 B14R0.46 CCCCC(C)C(=O)NCCSC(=O)C 11a_100020647217_100000725509 [0,1,0,0,0,1|2,0,0]=4 4893 B14R0.46 CCCCC(C)C(=O)NCCSC(=O)C 240690a_100020647217_100000725509 [0,1,0,0,0,1|2,0,0]=4 4894 B14R0.46 CCCCC(C)C(=O)NCCSC(=O)C 527a_100020647217_100000725509 [0,1,0,0,0,1|2,0,0]=4 4895 B14R0.46 CCCCC(O)C(=O)CCCCB(O)O 1458a_100000720857_200009817182 [0,1,0,0,0,1|1,0,1]=4 4896 B14R0.46 CCCCC(O)C(=O)CCCCC(=O)C 1458a_100000720857_100000735457 [0,1,0,0,0,1|1,0,0]=3 4897 B14R0.46 CCCCC(O)C(=O)CCCOC(=O)C 1458a_100000720857_100000042594 [0,1,0,0,0,1|1,0,0]=3 4898 B14R0.46 CCCCC(O)C(=O)CCCOC(=S)C 1458a_100000720857_200135323944 [0,1,0,0,0,1|1,1,0]=4 4899 B14R0.46 CCCCC(O)C(=O)CCCSC(=O)C 1458a_100000720857_100000038929 [0,1,0,0,0,1|1,0,0]=3 4900 B14R0.46 CCCCC(O)C(=O)CCOCC(=O)N 1458a_100000720857_100000076697 [0,1,0,0,0,1|1,0,0]=3 4901 B14R0.46 CCCCC(O)C(=O)NCCCC(=O)N 240690a_100000739312_100000720857 [0,1,0,0,0,1|1,0,0]=3 4902 B14R0.46 CCCCC(O)C(=O)NCCCC(=O)N 527a_100000739312_100000720857 [0,1,0,0,0,1|1,0,0]=3 4903 B14R0.46 CCCCC(O)C(=O)NCCCS(=O)C 240690a_200000753449_100000720857 [0,1,0,0,0,1|2,0,0]=4 4904 B14R0.46 CCCCC(O)C(=O)NCCCS(=O)C 527a_200000753449_100000720857 [0,1,0,0,0,1|2,0,0]=4 4905 B14R0.46 CCCCC(O)C(=O)NCCNC(=O)C 240690a_100000209853_100000720857 [0,1,0,0,0,1|2,0,0]=4 4906 B14R0.46 CCCCC(O)C(=O)NCCNC(=O)C 527a_100000209853_100000720857 [0,1,0,0,0,1|2,0,0]=4 4907 B14R0.46 CCCCC(O)C(=O)NCCNC(=O)N 240690a_100020590234_100000720857 [0,1,0,0,0,1|2,0,0]=4 4908 B14R0.46 CCCCC(O)C(=O)NCCNC(=O)N 527a_100020590234_100000720857 [0,1,0,0,0,1|2,0,0]=4 4909 B14R0.46 CCCCC(O)C(=O)NCCOC(=O)C 240690a_100000724843_100000720857 [0,1,0,0,0,1|2,0,0]=4 4910 B14R0.46 CCCCC(O)C(=O)NCCOC(=O)C 527a_100000724843_100000720857 [0,1,0,0,0,1|2,0,0]=4 4911 B14R0.46 CCCCC(O)C(=O)NCCSC(=O)C 240690a_100020647217_100000720857 [0,1,0,0,0,1|2,0,0]=4 4912 B14R0.46 CCCCC(O)C(=O)NCCSC(=O)C 527a_100020647217_100000720857 [0,1,0,0,0,1|2,0,0]=4 4913 B14R0.46 CCCCN(C)C(=O)CCCNC(=O)C 11a_100000207549_100000194741 [0,1,0,0,0,1|2,0,0]=4 4914 B14R0.46 CCCCN(C)C(=O)CCCNC(=O)C 1626a_100000207549_100000194741 [0,1,0,0,0,1|2,0,0]=4 4915 B14R0.46 CCCCN(C)C(=O)CCCNC(=O)C 240690a_100000207549_100000194741 [0,1,0,0,0,1|2,0,0]=4 4916 B14R0.46 CCCCN(C)C(=O)CCCNC(=O)C 527a_100000207549_100000194741 [0,1,0,0,0,1|2,0,0]=4 4917 B14R0.46 CCCCN(C)C(=O)CCSCC(=O)N 11a_100000207549_100000148550 [0,1,0,0,0,1|2,0,0]=4 4918 B14R0.46 CCCCN(C)C(=O)CCSCC(=O)N 240690a_100000207549_100000148550 [0,1,0,0,0,1|2,0,0]=4 4919 B14R0.46 CCCCN(C)C(=O)CCSCC(=O)N 527a_100000207549_100000148550 [0,1,0,0,0,1|2,0,0]=4 4920 B14R0.46 CCCCN(C)C(=O)CNOCC(=O)O 269956a_100000106656_100000230175 [0,1,0,0,0,1|2,0,0]=4 4921 B14R0.46 CCCCN(C)C(=O)COCCC(=O)C 34a_100000759926_100000230175 [0,1,0,0,0,1|2,0,0]=4 4922 B14R0.46 CCCCN(C)C(=O)COCCC(=O)C 7a_100000759926_100000230175 [0,1,0,0,0,1|2,0,0]=4 4923 B14R0.46 CCCCN(C)C(=O)COCCC(=O)N 34a_100000757172_100000230175 [0,1,0,0,0,1|2,0,0]=4 4924 B14R0.46 CCCCN(C)C(=O)COCCC(=O)N 7a_100000757172_100000230175 [0,1,0,0,0,1|2,0,0]=4 4925 B14R0.46 CCCCN(C)C(=O)CSCCC(=O)C 62a_100000053229_100000230175 [0,1,0,0,0,1|2,0,0]=4 4926 B14R0.46 CCCCN(C)C(=O)CSCCC(=O)C 62a_100000230175_100000053229 [0,1,0,0,0,1|2,0,0]=4 4927 B14R0.46 CCCCN(C)C(=O)CSCCC(=O)N 62a_100000230175_100000744528 [0,1,0,0,0,1|2,0,0]=4 4928 B14R0.46 CCCCN(C)C(=O)CSCCC(=O)N 62a_100000744528_100000230175 [0,1,0,0,0,1|2,0,0]=4 4929 B14R0.46 CCCCN(C)C(=O)NCCCC(=O)N 273464a_100000739312_100000207549 [0,1,0,0,0,1|2,0,0]=4 4930 B14R0.46 CSCCC(O)C(=O)CCCCC(=O)C 1458a_100000685904_100000735457 [0,1,0,0,0,1|2,0,0]=4 4931 B14R0.46 CSCCC(O)C(=O)CCCOC(=O)C 1458a_100000685904_100000042594 [0,1,0,0,0,1|2,0,0]=4 4932 B14R0.46 CSCCC(O)C(=O)CCCSC(=O)C 1458a_100000685904_100000038929 [0,1,0,0,0,1|2,0,0]=4 4933 B14R0.46 CSCCC(O)C(=O)CCOCC(=O)N 1458a_100000685904_100000076697 [0,1,0,0,0,1|2,0,0]=4 4934 B14R0.46 CSCCC(O)C(=O)NCCCC(=O)N 240690a_100000739312_100000685904 [0,1,0,0,0,1|2,0,0]=4 4935 B14R0.67 CC(=O)CCCC(=O)CCCNC(=O)C 1458a_100000194741_100011215641 [0,1,0,0,0,1|1,0,1]=4 4936 B14R0.67 CC(=O)CCCC(=O)CCSCC(=O)N 1458a_100000148550_100011215641 [0,1,0,0,0,1|1,0,1]=4 4937 B14R0.67 CC(=O)CCCCC(=O)CCCC(C)C 1458a_100011216857_100000735457 [0,1,0,0,0,1|1,0,0]=3 4938 B14R0.67 CC(=O)CCCCC(=O)COCC(C)C 1458a_100011223364_100000735457 [0,1,0,0,0,1|2,0,0]=4 4939 B14R0.67 CC(=O)NCCCC(=O)CCCC(C)C 1458a_100000194741_100011214892 [0,1,0,0,0,1|1,0,0]=3 4940 B14R0.67 CC(=O)NCCCC(=O)CCCC(C)O 1458a_100000194741_200000718107 [0,1,0,0,0,1|1,0,0]=3 4941 B14R0.67 CC(=O)NCCCC(=O)CCCN(C)C 1458a_100000194741_100000695564 [0,1,0,0,0,1|2,0,0]=4 4942 B14R0.67 CC(=O)NCCCC(=O)CCOC(C)C 1458a_100000194741_100000211751 [0,1,0,0,0,1|2,0,0]=4 4943 B14R0.67 CC(=O)NCCCC(=O)CCSC(C)C 1458a_100000194741_100000730970 [0,1,0,0,0,1|2,0,0]=4 4944 B14R0.67 CC(=O)NCCCC(=O)NCCC(C)C 11a_100000210545_100000194741 [0,1,0,0,0,1|2,0,0]=4 4945 B14R0.67 CC(=O)NCCCC(=O)NCCC(C)C 1626a_100000210545_100000194741 [0,1,0,0,0,1|2,0,0]=4 4946 B14R0.67 CC(=O)NCCCC(=O)NCCC(C)C 240690a_100000210545_100000194741 [0,1,0,0,0,1|2,0,0]=4 4947 B14R0.67 CC(=O)NCCCC(=O)NCCC(C)C 527a_100000210545_100000194741 [0,1,0,0,0,1|2,0,0]=4 4948 B14R0.67 CC(=O)NCCCC(=O)NCCC(C)O 240690a_200000755665_100000194741 [0,1,0,0,0,1|2,0,0]=4 4949 B14R0.67 CC(=O)NCCCC(=O)NCCC(C)O 527a_200000755665_100000194741 [0,1,0,0,0,1|2,0,0]=4 4950 B14R0.67 CC(=O)NCCNC(=O)CCCC(C)C 240690a_100000209853_100011216857 [0,1,0,0,0,1|2,0,0]=4 4951 B14R0.67 CC(=O)NCCNC(=O)CCCC(C)C 527a_100000209853_100011216857 [0,1,0,0,0,1|2,0,0]=4 4952 B14R0.67 CC(=O)NCCNC(=O)CCCC(C)O 527a_100000209853_100000761597 [0,1,0,0,0,1|2,0,0]=4 4953 B14R0.67 CC(=O)OCCCC(=O)CCCC(C)C 1458a_100011216857_100000042594 [0,1,0,0,0,1|1,0,0]=3 4954 B14R0.67 CC(=O)OCCCC(=O)COCC(C)C 1458a_100011223364_100000042594 [0,1,0,0,0,1|2,0,0]=4 4955 B14R0.67 CC(=O)OCCNC(=O)CCCC(C)C 11a_100000724843_100011216857 [0,1,0,0,0,1|2,0,0]=4 4956 B14R0.67 CC(=O)OCCNC(=O)CCCC(C)C 240690a_100000724843_100011216857 [0,1,0,0,0,1|2,0,0]=4 4957 B14R0.67 CC(=O)OCCNC(=O)CCCC(C)C 527a_100000724843_100011216857 [0,1,0,0,0,1|2,0,0]=4 4958 B14R0.67 CC(=O)OCCNC(=O)CCCC(C)O 527a_100000724843_100000761597 [0,1,0,0,0,1|2,0,0]=4 4959 B14R0.67 CC(=O)SCCCC(=O)CCCC(C)C 1458a_100011216857_100000038929 [0,1,0,0,0,1|1,0,0]=3 4960 B14R0.67 CC(=O)SCCCC(=O)COCC(C)C 1458a_100011223364_100000038929 [0,1,0,0,0,1|2,0,0]=4 4961 B14R0.67 CC(=O)SCCNC(=O)CCCC(C)C 11a_100020647217_100011216857 [0,1,0,0,0,1|2,0,0]=4 4962 B14R0.67 CC(=O)SCCNC(=O)CCCC(C)C 240690a_100020647217_100011216857 [0,1,0,0,0,1|2,0,0]=4 4963 B14R0.67 CC(=O)SCCNC(=O)CCCC(C)C 527a_100020647217_100011216857 [0,1,0,0,0,1|2,0,0]=4 4964 B14R0.67 CC(=O)SCCNC(=O)CCCC(C)O 527a_100020647217_100000761597 [0,1,0,0,0,1|2,0,0]=4 4965 B14R0.67 CC(=S)OCCCC(=O)CCCC(C)C 1458a_100011216857_200135323944 [0,1,0,0,0,1|1,1,0]=4 4966 B14R0.67 CC(C)CCCC(=O)CCCCB(O)O 1458a_100011216857_200009817182 [0,1,0,0,0,1|1,0,1]=4 4967 B14R0.67 CC(C)CCCC(=O)CCCN=C(N)N 1458a_100000034108_100011214892 [0,1,0,0,0,1|2,0,0]=4 4968 B14R0.67 CC(C)CCCC(=O)CCOCC(=O)N 1458a_100011216857_100000076697 [0,1,0,0,0,1|1,0,0]=3 4969 B14R0.67 CC(C)CCCC(=O)CCSCC(=O)N 1458a_100000148550_100011214892 [0,1,0,0,0,1|1,0,0]=3 4970 B14R0.67 CC(C)CCCC(=O)NCCCC(=O)N 240690a_100000739312_100011216857 [0,1,0,0,0,1|1,0,0]=3 4971 B14R0.67 CC(C)CCCC(=O)NCCCC(=O)N 527a_100000739312_100011216857 [0,1,0,0,0,1|1,0,0]=3 4972 B14R0.67 CC(C)CCCC(=O)NCCCS(=O)C 11a_200000753449_100011216857 [0,1,0,0,0,1|2,0,0]=4 4973 B14R0.67 CC(C)CCCC(=O)NCCCS(=O)C 240690a_200000753449_100011216857 [0,1,0,0,0,1|2,0,0]=4 4974 B14R0.67 CC(C)CCCC(=O)NCCCS(=O)C 527a_200000753449_100011216857 [0,1,0,0,0,1|2,0,0]=4 4975 B14R0.67 CC(C)CCCC(=O)NCCNC(=O)N 240690a_100020590234_100011216857 [0,1,0,0,0,1|2,0,0]=4 4976 B14R0.67 CC(C)CCCC(=O)NCCNC(=O)N 527a_100020590234_100011216857 [0,1,0,0,0,1|2,0,0]=4 4977 B14R0.67 CC(C)CCCC(C)CCNCC(=O)O 269956a_100016091260_100009816328 [0,1,0,0,0,1|1,0,1]=4 4978 B14R0.67 CC(C)CCNC(=O)CCSCC(=O)N 11a_100000210545_100000148550 [0,1,0,0,0,1|2,0,0]=4 4979 B14R0.67 CC(C)CCNC(=O)CCSCC(=O)N 240690a_100000210545_100000148550 [0,1,0,0,0,1|2,0,0]=4 4980 B14R0.67 CC(C)CCNC(=O)CCSCC(=O)N 527a_100000210545_100000148550 [0,1,0,0,0,1|2,0,0]=4 4981 B14R0.67 CC(C)CCNC(=O)NCCCC(=O)N 273464a_100000210545_100000739312 [0,1,0,0,0,1|2,0,0]=4 4982 B14R0.67 CC(C)CCNC(=O)NCCCC(=O)N 273464a_100000739312_100000210545 [0,1,0,0,0,1|2,0,0]=4 4983 B14R0.67 CC(C)CCNC(=O)NCCCC(=O)N 512a_100000210545_100000739312 [0,1,0,0,0,1|2,0,0]=4 4984 B14R0.67 CC(C)CCNC(=O)NCCCC(=O)N 512a_100000739312_100000210545 [0,1,0,0,0,1|2,0,0]=4 4985 B14R0.67 CC(C)COCC(=O)CCOCC(=O)N 1458a_100011223364_100000076697 [0,1,0,0,0,1|2,0,0]=4 4986 B14R0.67 CC(C)COCC(=O)NCCCC(=O)N 240690a_100000739312_100011223364 [0,1,0,0,0,1|2,0,0]=4 4987 B14R0.67 CC(C)COCC(=O)NCCCC(=O)N 527a_100000739312_100011223364 [0,1,0,0,0,1|2,0,0]=4 4988 B14R0.67 CC(C)OCCC(=O)CCSCC(=O)N 1458a_100000148550_100000211751 [0,1,0,0,0,1|2,0,0]=4 4989 B14R0.67 CC(C)SCCC(=O)CCSCC(=O)N 1458a_100000148550_100000730970 [0,1,0,0,0,1|2,0,0]=4 4990 B14R0.67 CC(O)CCCC(=O)CCCN=C(N)N 1458a_100000034108_200000718107 [0,1,0,0,0,1|2,0,0]=4 4991 B14R0.67 CC(O)CCCC(=O)CCSCC(=O)N 1458a_100000148550_200000718107 [0,1,0,0,0,1|1,0,0]=3 4992 B14R0.67 CC(O)CCCC(=O)NCCCC(=O)N 527a_100000739312_100000761597 [0,1,0,0,0,1|1,0,0]=3 4993 B14R0.67 CC(O)CCCC(=O)NCCCS(=O)C 527a_200000753449_100000761597 [0,1,0,0,0,1|2,0,0]=4 4994 B14R0.67 CC(O)CCCC(=O)NCCNC(=O)N 527a_100020590234_100000761597 [0,1,0,0,0,1|2,0,0]=4 4995 B14R0.67 CC(O)CCNC(=O)CCSCC(=O)N 240690a_200000755665_100000148550 [0,1,0,0,0,1|2,0,0]=4 4996 B14R0.67 CC(O)CCNC(=O)CCSCC(=O)N 527a_200000755665_100000148550 [0,1,0,0,0,1|2,0,0]=4 4997 B14R0.67 CC(O)CCNC(=O)NCCCC(=O)N 273464a_200000755665_100000739312 [0,1,0,0,0,1|2,0,0]=4 4998 B14R0.67 CC(O)CCNC(=O)NCCCC(=O)N 512a_100000739312_200000755665 [0,1,0,0,0,1|2,0,0]=4 4999 B14R0.67 CC(O)CCNC(=O)NCCCC(=O)N 512a_200000755665_100000739312 [0,1,0,0,0,1|2,0,0]=4 5000 B14R0.67 CN(C)CCCC(=O)CCSCC(=O)N 1458a_100000148550_100000695564 [0,1,0,0,0,1|2,0,0]=4 5001 B14R0.67 CN(C)CCCC(=O)NCCCC(=O)N 240690a_100000739312_100000740757 [0,1,0,0,0,1|2,0,0]=4 5002 B14R0.186 CCCCCC(C)N(C)CCCC(=O)O 269956a_100000719178_200011218191 [0,1,0,0,0,1|1,0,1]=4 5003 B14R0.186 CCCCNC(=O)C(C)NOCC(=O)O 269956a_100000106656_100000735917 [0,1,0,0,0,1|2,0,0]=4 5004 B14R0.186 CCCCNC(=O)C(C)OCCC(=O)C 34a_100000759926_100000735917 [0,1,0,0,0,1|2,0,0]=4 5005 B14R0.186 CCCCNC(=O)C(C)OCCC(=O)C 7a_100000759926_100000735917 [0,1,0,0,0,1|2,0,0]=4 5006 B14R0.186 CCCCNC(=O)C(C)OCCC(=O)N 34a_100000757172_100000735917 [0,1,0,0,0,1|2,0,0]=4 5007 B14R0.186 CCCCNC(=O)C(C)OCCC(=O)N 7a_100000757172_100000735917 [0,1,0,0,0,1|2,0,0]=4 5008 B14R0.186 CCCCNC(=O)C(C)SCCC(=O)C 62a_100000053229_100000735917 [0,1,0,0,0,1|2,0,0]=4 5009 B14R0.186 CCCCNC(=O)C(C)SCCC(=O)C 62a_100000735917_100000053229 [0,1,0,0,0,1|2,0,0]=4 5010 B14R0.186 CCCCNC(=O)C(C)SCCC(=O)N 62a_100000735917_100000744528 [0,1,0,0,0,1|2,0,0]=4 5011 B14R0.186 CCCCNC(=O)C(C)SCCC(=O)N 62a_100000744528_100000735917 [0,1,0,0,0,1|2,0,0]=4 5012 B14R0.186 CCCCOC(=O)C(C)NOCC(=O)O 269956a_100000106656_100000759602 [0,1,0,0,0,1|2,0,0]=4 5013 B14R0.186 CCCCOC(=O)C(C)OCCC(=O)C 34a_100000759926_100000759602 [0,1,0,0,0,1|2,0,0]=4 5014 B14R0.186 CCCCOC(=O)C(C)OCCC(=O)C 7a_100000038973_100000053229 [0,1,0,0,0,1|2,0,0]=4 5015 B14R0.186 CCCCOC(=O)C(C)OCCC(=O)C 7a_100000759926_100000759602 [0,1,0,0,0,1|2,0,0]=4 5016 B14R0.186 CCCCOC(=O)C(C)OCCC(=O)N 34a_100000038973_100000731001 [0,1,0,0,0,1|2,0,0]=4 5017 B14R0.186 CCCCOC(=O)C(C)OCCC(=O)N 34a_100000757172_100000759602 [0,1,0,0,0,1|2,0,0]=4 5018 B14R0.186 CCCCOC(=O)C(C)OCCC(=O)N 7a_100000038973_100000744528 [0,1,0,0,0,1|2,0,0]=4 5019 B14R0.186 CCCCOC(=O)C(C)OCCC(=O)N 7a_100000757172_100000759602 [0,1,0,0,0,1|2,0,0]=4 5020 B14R0.186 CCCCOC(=O)C(C)SCCC(=O)C 62a_100000053229_100000759602 [0,1,0,0,0,1|2,0,0]=4 5021 B14R0.186 CCCCOC(=O)C(C)SCCC(=O)C 62a_100000759602_100000053229 [0,1,0,0,0,1|2,0,0]=4 5022 B14R0.186 CCCCOC(=O)C(C)SCCC(=O)N 62a_100000744528_100000759602 [0,1,0,0,0,1|2,0,0]=4 5023 B14R0.186 CCCCOC(=O)C(C)SCCC(=O)N 62a_100000759602_100000744528 [0,1,0,0,0,1|2,0,0]=4 5024 B14R0.226 C#CCCCC(=O)CCCCC(=O)OC 1458a_100000690238_100000204269 [0,1,0,0,0,1|0,0,2]=4 5025 B14R0.226 C#CCCCC(=O)CCCCC(=O)OC 1458a_100000695723_100000731252 [0,1,0,0,0,1|0,0,2]=4 5026 B14R0.226 C#CCCCC(=O)CCCNC(=O)OC 1458a_100000753017_100000731252 [0,1,0,0,0,1|0,0,2]=4 5027 B14R0.226 C#CCCCC(=O)CCOCC(=O)OC 1458a_100000690238_100000090808 [0,1,0,0,0,1|0,0,2]=4 5028 B14R0.226 C#CCCCC(=O)NCCCC(=O)OC 188690a_100000184769_100000690238 [0,1,0,0,0,1|0,0,2]=4 5029 B14R0.226 C=CC(=O)NCCNC(=O)CCCCC 11a_114873766552_100000212188 [0,1,0,0,0,1|2,0,0]=4 5030 B14R0.226 C=CC(=O)NCCNC(=O)CCCCC 1626a_114873766552_100000212188 [0,1,0,0,0,1|2,0,0]=4 5031 B14R0.226 C=CC(=O)NCCNC(=O)CCCCC 527a_114873766552_100000212188 [0,1,0,0,0,1|2,0,0]=4 5032 B14R0.226 C=CCCCC(=O)CCCCC(=O)OC 1458a_100000695723_100000757094 [0,1,0,0,0,1|0,0,2]=4 5033 B14R0.226 C=CCCCC(=O)CCCCC(=O)OC 1458a_100000766728_100000204269 [0,1,0,0,0,1|0,0,2]=4 5034 B14R0.226 C=CCCCC(=O)CCCNC(=O)OC 1458a_100000753017_100000757094 [0,1,0,0,0,1|0,0,2]=4 5035 B14R0.226 C=CCCCC(=O)CCOCC(=O)OC 1458a_100000766728_100000090808 [0,1,0,0,0,1|0,0,2]=4 5036 B14R0.226 C=CCCCC(=O)NCCCC(=O)OC 188690a_100000184769_100000766728 [0,1,0,0,0,1|0,0,2]=4 5037 B14R0.226 CC/C=C/CC(=O)CCCCC(=O)OC 1458a_100016274230_100000204269 [0,1,0,0,0,1|0,0,2]=4 5038 B14R0.226 CC/C=C/CC(=O)CCOCC(=O)OC 1458a_100016274230_100000090808 [0,1,0,0,0,1|0,0,2]=4 5039 B14R0.226 CC/C=C/CC(=O)NCCCC(=O)OC 188690a_100000184769_100016274230 [0,1,0,0,0,1|0,0,2]=4 5040 B14R0.226 CC/C=C\CC(=O)CCCCC(=O)OC 1458a_100000695723_100103147603 [0,1,0,0,0,1|0,0,2]=4 5041 B14R0.226 CC/C=C\CC(=O)CCCNC(=O)OC 1458a_100000753017_100103147603 [0,1,0,0,0,1|0,0,2]=4 5042 B14R0.226 CCC#CCC(=O)CCCCC(=O)OC 1458a_100000695723_100009813939 [0,1,0,0,0,1|0,0,2]=4 5043 B14R0.226 CCC#CCC(=O)CCCNC(=O)OC 1458a_100000753017_100009813939 [0,1,0,0,0,1|0,0,2]=4 5044 B14R0.226 CCCC#CC(=O)CCCCC(=O)OC 1458a_200011218047_100000204269 [0,1,0,0,0,1|0,0,2]=4 5045 B14R0.226 CCCC#CC(=O)CCOCC(=O)OC 1458a_200011218047_100000090808 [0,1,0,0,0,1|0,0,2]=4 5046 B14R0.226 CCCC=CC(=O)CCCCC(=O)OC 1458a_100000212230_100000204269 [0,1,0,0,0,1|0,0,2]=4 5047 B14R0.226 CCCC=CC(=O)CCOCC(=O)OC 1458a_100000212230_100000090808 [0,1,0,0,0,1|0,0,2]=4 5048 B14R0.226 CCCC=CC(=O)NCCCC(=O)OC 188690a_100000184769_100000212230 [0,1,0,0,0,1|0,0,2]=4 5049 B14R0.226 CCCCCC(=O)CCCCC(=O)OC 1458a_100000212188_100000204269 [0,1,0,0,0,1|0,0,0]=2 5050 B14R0.226 CCCCCC(=O)CCCCC(=O)OC 1458a_100000695723_100000210326 [0,1,0,0,0,1|0,0,0]=2 5051 B14R0.226 CCCCCC(=O)CCCNC(=O)OC 1458a_100000753017_100000210326 [0,1,0,0,0,1|0,0,0]=2 5052 B14R0.226 CCCCCC(=O)CCOCC(=O)OC 1458a_100000212188_100000090808 [0,1,0,0,0,1|0,0,0]=2 5053 B14R0.226 CCCCCC(=O)CNCCC(=O)NC 2230a_100000738227_200012276598 [0,1,0,0,0,1|1,0,0]=3 5054 B14R0.226 CCCCCC(=O)CNCCC(=O)NC 34a_100000738227_200012276598 [0,1,0,0,0,1|1,0,0]=3 5055 B14R0.226 CCCCCC(=O)CNCCC(C)CO 2230a_106354213184_200012276598 [0,1,0,0,0,1|1,0,1]=4 5056 B14R0.226 CCCCCC(=O)CNCCC(C)CO 34a_106354213184_200012276598 [0,1,0,0,0,1|1,0,1]=4 5057 B14R0.226 CCCCCC(=O)COCCC(=NO)N 34a_100000749954_200012276598 [0,1,0,0,0,1|1,0,0]=3 5058 B14R0.226 CCCCCC(=O)COCCC(=O)NC 34a_100000754576_200012276598 [0,1,0,0,0,1|1,0,0]=3 5059 B14R0.226 CCCCCC(=O)COCCC(C)OC 7a_100000764861_200012276598 [0,1,0,0,0,1|1,0,1]=4 5060 B14R0.226 CCCCCC(=O)CSCCC(=O)NC 62a_100000737683_200012276598 [0,1,0,0,0,1|1,0,0]=3 5061 B14R0.226 CCCCCC(=O)CSCCC(=O)NC 62a_200012276598_100000737683 [0,1,0,0,0,1|1,0,0]=3 5062 B14R0.226 CCCCCC(=O)CSCCC(=O)OC 62a_100000204255_200012276598 [0,1,0,0,0,1|0,0,0]=2 5063 B14R0.226 CCCCCC(=O)CSCCC(=O)OC 62a_200012276598_100000204255 [0,1,0,0,0,1|0,0,0]=2 5064 B14R0.226 CCCCCC(=O)CSCOC(=O)OC 62a_200012276598_100000139417 [0,1,0,0,0,1|1,0,0]=3 5065 B14R0.226 CCCCCC(=O)NCCCC(=O)NC 11a_100000740002_100000212188 [0,1,0,0,0,1|1,0,0]=3 5066 B14R0.226 CCCCCC(=O)NCCCC(=O)NC 240690a_100000740002_100000212188 [0,1,0,0,0,1|1,0,0]=3 5067 B14R0.226 CCCCCC(=O)NCCCC(=O)NC 527a_100000740002_100000212188 [0,1,0,0,0,1|1,0,0]=3 5068 B14R0.226 CCCCCC(=O)NCCCC(=O)OC 188690a_100000184769_100000212188 [0,1,0,0,0,1|0,0,0]=2 5069 B14R0.226 CCCCCC(=O)NCCNC(=O)CC 11a_100132302217_100000212188 [0,1,0,0,0,1|2,0,0]=4 5070 B14R0.226 CCCCCC(=O)NCCNC(=O)CC 1626a_100132302217_100000212188 [0,1,0,0,0,1|2,0,0]=4 5071 B14R0.226 CCCCCC(=O)NCCNC(=O)CC 240690a_100132302217_100000212188 [0,1,0,0,0,1|2,0,0]=4 5072 B14R0.226 CCCCCC(=O)NCCNC(=O)CC 527a_100132302217_100000212188 [0,1,0,0,0,1|2,0,0]=4 5073 B14R0.226 CCCCCC(=O)NCCNC(=O)NC 11a_100015205895_100000212188 [0,1,0,0,0,1|2,0,0]=4 5074 B14R0.226 CCCCCC(=O)NCCNC(=O)NC 240690a_100015205895_100000212188 [0,1,0,0,0,1|2,0,0]=4 5075 B14R0.226 CCCCCC(=O)NCCNC(=O)NC 527a_100015205895_100000212188 [0,1,0,0,0,1|2,0,0]=4 5076 B14R0.226 CCCCCC(=O)NN=CCC(=O)OC 4a_100000189784_200011552997 [0,1,0,0,0,1|1,0,1]=4 5077 B14R0.226 CCCCCC(C)NCCCC(=O)OC 2230a_100000211957_100011218270 [0,1,0,0,0,1|1,0,1]=4 5078 B14R0.226 CCCCCC(C)OCCCC(=O)OC 34a_100011215632_100000742333 [0,1,0,0,0,1|1,0,1]=4 5079 B14R0.226 CCCCCC(C)OCCCC(=O)OC 7a_100011215632_100011218270 [0,1,0,0,0,1|1,0,1]=4 5080 B14R0.226 CCCCCC(C)SCCCC(=O)OC 62a_100011218270_200011218191 [0,1,0,0,0,1|1,0,1]=4 5081 B14R0.226 CCCCCC(C)SCCCC(=O)OC 62a_200011218191_100011218270 [0,1,0,0,0,1|1,0,1]=4 5082 B14R0.226 CCCCCN(C)CCCCC(=O)OC 2230a_100000223495_100000204269 [0,1,0,0,0,1|2,0,0]=4 5083 B14R0.226 CCCCCN(C)CCCCC(=O)OC 269982a_100000223495_100000204269 [0,1,0,0,0,1|2,0,0]=4 5084 B14R0.226 CCCCCN(C)CCOCC(=O)OC 2230a_100000223495_100000090808 [0,1,0,0,0,1|2,0,0]=4 5085 B14R0.226 CCCCNC(=O)CCCCC(=O)OC 11a_100000102301_100000695723 [0,1,0,0,0,1|1,0,0]=3 5086 B14R0.226 CCCCNC(=O)CCCCC(=O)OC 1626a_100000102301_100000695723 [0,1,0,0,0,1|1,0,0]=3 5087 B14R0.226 CCCCNC(=O)CCCCC(=O)OC 240690a_100000102301_100000695723 [0,1,0,0,0,1|1,0,0]=3 5088 B14R0.226 CCCCNC(=O)CCCCC(=O)OC 527a_100000102301_100000695723 [0,1,0,0,0,1|1,0,0]=3 5089 B14R0.226 CCCCNC(=O)CCCNC(=O)OC 11a_100000102301_100000753017 [0,1,0,0,0,1|1,0,0]=3 5090 B14R0.226 CCCCNC(=O)CCCNC(=O)OC 1626a_100000102301_100000753017 [0,1,0,0,0,1|1,0,0]=3 5091 B14R0.226 CCCCNC(=O)CCCNC(=O)OC 240690a_100000102301_100000753017 [0,1,0,0,0,1|1,0,0]=3 5092 B14R0.226 CCCCNC(=O)CCCNC(=O)OC 527a_100000102301_100000753017 [0,1,0,0,0,1|1,0,0]=3 5093 B14R0.226 CCCCNC(=O)CNCCC(=O)NC 2230a_100000738227_100000182744 [0,1,0,0,0,1|2,0,0]=4 5094 B14R0.226 CCCCNC(=O)CNCCC(=O)NC 34a_100000738227_100000182744 [0,1,0,0,0,1|2,0,0]=4 5095 B14R0.226 CCCCNC(=O)COCCC(=NO)N 34a_100000749954_100000182744 [0,1,0,0,0,1|2,0,0]=4 5096 B14R0.226 CCCCNC(=O)COCCC(=O)NC 34a_100000754576_100000182744 [0,1,0,0,0,1|2,0,0]=4 5097 B14R0.226 CCCCNC(=O)CSCCC(=O)NC 62a_100000182744_100000737683 [0,1,0,0,0,1|2,0,0]=4 5098 B14R0.226 CCCCNC(=O)CSCCC(=O)NC 62a_100000737683_100000182744 [0,1,0,0,0,1|2,0,0]=4 5099 B14R0.226 CCCCNC(=O)CSCCC(=O)OC 62a_100000182744_100000204255 [0,1,0,0,0,1|1,0,0]=3 5100 B14R0.226 CCCCNC(=O)CSCCC(=O)OC 62a_100000204255_100000182744 [0,1,0,0,0,1|1,0,0]=3 5101 B14R0.226 CCCCNC(=O)CSCOC(=O)OC 62a_100000182744_100000139417 [0,1,0,0,0,1|2,0,0]=4 5102 B14R0.226 CCCCNC(=O)NCCCC(=O)NC 2708a_100000102301_100000740002 [0,1,0,0,0,1|2,0,0]=4 5103 B14R0.226 CCCCNC(=O)NCCCC(=O)NC 2708a_100000740002_100000102301 [0,1,0,0,0,1|2,0,0]=4 5104 B14R0.226 CCCCNC(=O)NCCCC(=O)NC 273464a_100000102301_100000740002 [0,1,0,0,0,1|2,0,0]=4 5105 B14R0.226 CCCCNC(=O)NCCCC(=O)NC 273464a_100000740002_100000102301 [0,1,0,0,0,1|2,0,0]=4 5106 B14R0.226 CCCCNC(=O)NCCCC(=O)NC 512a_100000102301_100000740002 [0,1,0,0,0,1|2,0,0]=4 5107 B14R0.226 CCCCNC(=O)NCCCC(=O)NC 512a_100000740002_100000102301 [0,1,0,0,0,1|2,0,0]=4 5108 B14R0.226 CCCCOC(=O)CNCCC(=O)NC 2230a_100000738227_100000211628 [0,1,0,0,0,1|2,0,0]=4 5109 B14R0.226 CCCCOC(=O)CNCCC(=O)NC 34a_100000738227_100000211628 [0,1,0,0,0,1|2,0,0]=4 5110 B14R0.226 CCCCOC(=O)COCCC(=NO)N 34a_100000749954_100000211628 [0,1,0,0,0,1|2,0,0]=4 5111 B14R0.226 CCCCOC(=O)COCCC(=O)NC 34a_100000754576_100000211628 [0,1,0,0,0,1|2,0,0]=4 5112 B14R0.226 CCCCOC(=O)CSCCC(=O)NC 62a_100000211628_100000737683 [0,1,0,0,0,1|2,0,0]=4 5113 B14R0.226 CCCCOC(=O)CSCCC(=O)NC 62a_100000737683_100000211628 [0,1,0,0,0,1|2,0,0]=4 5114 B14R0.226 CCCCOC(=O)CSCCC(=O)OC 62a_100000204255_100000211628 [0,1,0,0,0,1|1,0,0]=3 5115 B14R0.226 CCCCOC(=O)CSCCC(=O)OC 62a_100000211628_100000204255 [0,1,0,0,0,1|1,0,0]=3 5116 B14R0.226 CCCCOC(=O)CSCOC(=O)OC 62a_100000211628_100000139417 [0,1,0,0,0,1|2,0,0]=4 5117 B14R0.226 CCCNNC(=O)CCCCC(=O)OC 22a_100000740057_100000695723 [0,1,0,0,0,1|2,0,0]=4 5118 B14R0.226 CCCNNC(=O)CCCNC(=O)OC 22a_100000740057_100000753017 [0,1,0,0,0,1|2,0,0]=4 5119 B14R0.226 CCCOCC(=O)CCCCC(=O)OC 1458a_100000745993_100000204269 [0,1,0,0,0,1|1,0,0]=3 5120 B14R0.226 CCCOCC(=O)CCOCC(=O)OC 1458a_100000745993_100000090808 [0,1,0,0,0,1|1,0,0]=3 5121 B14R0.226 CCCOCC(=O)NCCCC(=O)NC 11a_100000740002_100000745993 [0,1,0,0,0,1|2,0,0]=4 5122 B14R0.226 CCCOCC(=O)NCCCC(=O)NC 240690a_100000740002_100000745993 [0,1,0,0,0,1|2,0,0]=4 5123 B14R0.226 CCCOCC(=O)NCCCC(=O)NC 527a_100000740002_100000745993 [0,1,0,0,0,1|2,0,0]=4 5124 B14R0.226 CCCOCC(=O)NCCCC(=O)OC 188690a_100000184769_100000745993 [0,1,0,0,0,1|1,0,0]=3 5125 B14R0.226 CCCOCC(=O)NCCCC(=O)OC 34a_100000210258_100000230218 [0,1,0,0,0,1|1,0,0]=3 5126 B14R0.226 CCCSCC(=O)CCCCC(=O)OC 1458a_100000217233_100000204269 [0,1,0,0,0,1|1,0,0]=3 5127 B14R0.226 CCCSCC(=O)CCOCC(=O)OC 1458a_100000217233_100000090808 [0,1,0,0,0,1|1,0,0]=3 5128 B14R0.226 CCCSCC(=O)NCCCC(=O)NC 11a_100000740002_100000217233 [0,1,0,0,0,1|2,0,0]=4 5129 B14R0.226 CCCSCC(=O)NCCCC(=O)NC 240690a_100000740002_100000217233 [0,1,0,0,0,1|2,0,0]=4 5130 B14R0.226 CCCSCC(=O)NCCCC(=O)NC 527a_100000740002_100000217233 [0,1,0,0,0,1|2,0,0]=4 5131 B14R0.226 CCCSCC(=O)NCCCC(=O)OC 188690a_100000184769_100000217233 [0,1,0,0,0,1|1,0,0]=3 5132 B14R0.226 CCCSCC(=O)NCCCC(=O)OC 62a_100000210303_100000230218 [0,1,0,0,0,1|1,0,0]=3 5133 B14R0.226 CCCSCC(=O)NCCCC(=O)OC 62a_100000230218_100000210303 [0,1,0,0,0,1|1,0,0]=3 5134 B14R0.226 CCOCCC(=O)CCCCC(=O)OC 1458a_100000695723_100011215890 [0,1,0,0,0,1|1,0,0]=3 5135 B14R0.226 CCOCCC(=O)CCCCC(=O)OC 1458a_100000749530_100000204269 [0,1,0,0,0,1|1,0,0]=3 5136 B14R0.226 CCOCCC(=O)CCCNC(=O)OC 1458a_100000753017_100011215890 [0,1,0,0,0,1|1,0,0]=3 5137 B14R0.226 CCOCCC(=O)CCOCC(=O)OC 1458a_100000749530_100000090808 [0,1,0,0,0,1|1,0,0]=3 5138 B14R0.226 CCOCCC(=O)NCCCC(=O)NC 11a_100000740002_100000749530 [0,1,0,0,0,1|2,0,0]=4 5139 B14R0.226 CCOCCC(=O)NCCCC(=O)NC 240690a_100000740002_100000749530 [0,1,0,0,0,1|2,0,0]=4 5140 B14R0.226 CCOCCC(=O)NCCCC(=O)NC 527a_100000740002_100000749530 [0,1,0,0,0,1|2,0,0]=4 5141 B14R0.226 CCOCCC(=O)NCCCC(=O)OC 188690a_100000184769_100000749530 [0,1,0,0,0,1|1,0,0]=3 5142 B14R0.226 CCSCCC(=O)CCCCC(=O)OC 1458a_100000230768_100000204269 [0,1,0,0,0,1|1,0,0]=3 5143 B14R0.226 CCSCCC(=O)CCCCC(=O)OC 1458a_100000695723_100000757381 [0,1,0,0,0,1|1,0,0]=3 5144 B14R0.226 CCSCCC(=O)CCCNC(=O)OC 1458a_100000753017_100000757381 [0,1,0,0,0,1|1,0,0]=3 5145 B14R0.226 CCSCCC(=O)CCOCC(=O)OC 1458a_100000230768_100000090808 [0,1,0,0,0,1|1,0,0]=3 5146 B14R0.226 CCSCCC(=O)NCCCC(=O)NC 11a_100000740002_100000230768 [0,1,0,0,0,1|2,0,0]=4 5147 B14R0.226 CCSCCC(=O)NCCCC(=O)NC 240690a_100000740002_100000230768 [0,1,0,0,0,1|2,0,0]=4 5148 B14R0.226 CCSCCC(=O)NCCCC(=O)NC 527a_100000740002_100000230768 [0,1,0,0,0,1|2,0,0]=4 5149 B14R0.226 CCSCCC(=O)NCCCC(=O)OC 188690a_100000184769_100000230768 [0,1,0,0,0,1|1,0,0]=3 5150 B14R0.226 CNC(=O)CCCNC(=O)CCCOC 11a_100000740002_100000741012 [0,1,0,0,0,1|2,0,0]=4 5151 B14R0.226 CNC(=O)CCCNC(=O)CCCOC 240690a_100000740002_100000741012 [0,1,0,0,0,1|2,0,0]=4 5152 B14R0.226 CNC(=O)CCCNC(=O)CCCOC 527a_100000740002_100000741012 [0,1,0,0,0,1|2,0,0]=4 5153 B14R0.226 CNC(=O)CCCNC(=O)CCCSC 11a_100000740002_100000173376 [0,1,0,0,0,1|2,0,0]=4 5154 B14R0.226 CNC(=O)CCCNC(=O)CCCSC 240690a_100000740002_100000173376 [0,1,0,0,0,1|2,0,0]=4 5155 B14R0.226 CNC(=O)CCCNC(=O)CCCSC 527a_100000740002_100000173376 [0,1,0,0,0,1|2,0,0]=4 5156 B14R0.226 COC(=O)CCCCC(=O)CCCC#N 1458a_100000075515_100000204269 [0,1,0,0,0,1|1,0,1]=4 5157 B14R0.226 COC(=O)CCCCC(=O)CCCC#N 1458a_100000695723_100000211468 [0,1,0,0,0,1|1,0,1]=4 5158 B14R0.226 COC(=O)CCCCC(=O)CCCCF 1458a_100000695723_100000729493 [0,1,0,0,0,1|1,0,0]=3 5159 B14R0.226 COC(=O)CCCCC(=O)CCCCO 1458a_100000695505_100000204269 [0,1,0,0,0,1|1,0,0]=3 5160 B14R0.226 COC(=O)CCCCC(=O)CCCCO 1458a_100000695723_100000210776 [0,1,0,0,0,1|1,0,0]=3 5161 B14R0.226 COC(=O)CCCCC(=O)CCCSC 1458a_100000173376_100000204269 [0,1,0,0,0,1|1,0,0]=3 5162 B14R0.226 COC(=O)CCCCC(=O)COCCO 1458a_100000708028_100000204269 [0,1,0,0,0,1|2,0,0]=4 5163 B14R0.226 COC(=O)CCCCC(=O)NCCCF 11a_100015189416_100000695723 [0,1,0,0,0,1|2,0,0]=4 5164 B14R0.226 COC(=O)CCCCC(=O)NCCCF 1626a_100015189416_100000695723 [0,1,0,0,0,1|2,0,0]=4 5165 B14R0.226 COC(=O)CCCCC(=O)NCCCF 240690a_100015189416_100000695723 [0,1,0,0,0,1|2,0,0]=4 5166 B14R0.226 COC(=O)CCCCC(=O)NCCCF 527a_100015189416_100000695723 [0,1,0,0,0,1|2,0,0]=4 5167 B14R0.226 COC(=O)CCCCC(=O)NCCCO 240690a_100000182051_100000695723 [0,1,0,0,0,1|2,0,0]=4 5168 B14R0.226 COC(=O)CCCCC(=O)NCCCO 527a_100000182051_100000695723 [0,1,0,0,0,1|2,0,0]=4 5169 B14R0.226 COC(=O)CCCCC(=O)NCCSC 11a_100020590264_100000695723 [0,1,0,0,0,1|2,0,0]=4 5170 B14R0.226 COC(=O)CCCCC(=O)NCCSC 1626a_100020590264_100000695723 [0,1,0,0,0,1|2,0,0]=4 5171 B14R0.226 COC(=O)CCCCC(=O)NCCSC 240690a_100020590264_100000695723 [0,1,0,0,0,1|2,0,0]=4 5172 B14R0.226 COC(=O)CCCCC(=O)NCCSC 527a_100020590264_100000695723 [0,1,0,0,0,1|2,0,0]=4 5173 B14R0.226 COC(=O)CCCNC(=O)CCCCO 188690a_100000184769_100000695505 [0,1,0,0,0,1|1,0,0]=3 5174 B14R0.226 COC(=O)CCCNC(=O)CCCSC 188690a_100000184769_100000173376 [0,1,0,0,0,1|1,0,0]=3 5175 B14R0.226 COC(=O)CCCNC(=O)CNCCF 34a_100000724931_100000230218 [0,1,0,0,0,1|2,0,0]=4 5176 B14R0.226 COC(=O)CCCNC(=O)CNCCO 2230a_100016997473_100000230218 [0,1,0,0,0,1|2,0,0]=4 5177 B14R0.226 COC(=O)CCCNC(=O)CNCCO 34a_100016990907_100000230218 [0,1,0,0,0,1|2,0,0]=4 5178 B14R0.226 COC(=O)CCCNC(=O)COCCBr 34a_100000211926_100000230218 [0,1,0,0,0,1|2,0,0]=4 5179 B14R0.226 COC(=O)CCCNC(=O)COCCN 34a_100000210304_100000230218 [0,1,0,0,0,1|2,0,0]=4 5180 B14R0.226 COC(=O)CCCNC(=O)COCCO 188690a_100000184769_100000708028 [0,1,0,0,0,1|2,0,0]=4 5181 B14R0.226 COC(=O)CCCNC(=O)CSCCF 62a_100000230218_100011217306 [0,1,0,0,0,1|2,0,0]=4 5182 B14R0.226 COC(=O)CCCNC(=O)CSCCF 62a_100011217306_100000230218 [0,1,0,0,0,1|2,0,0]=4 5183 B14R0.226 COC(=O)CCCNC(=O)CSCCO 62a_100000211926_100000230218 [0,1,0,0,0,1|2,0,0]=4 5184 B14R0.226 COC(=O)CCCNC(=O)CSCCO 62a_100000230218_100000211926 [0,1,0,0,0,1|2,0,0]=4 5185 B14R0.226 COC(=O)CCCNC(=O)CSCSC 62a_100000230218_100011218213 [0,1,0,0,0,1|2,0,0]=4 5186 B14R0.226 COC(=O)CCCNC(=O)CSCSC 62a_100011218213_100000230218 [0,1,0,0,0,1|2,0,0]=4 5187 B14R0.226 COC(=O)COCCC(=O)CCCC#N 1458a_100000075515_100000090808 [0,1,0,0,0,1|1,0,1]=4 5188 B14R0.226 COC(=O)COCCC(=O)CCCCO 1458a_100000695505_100000090808 [0,1,0,0,0,1|1,0,0]=3 5189 B14R0.226 COC(=O)COCCC(=O)CCCSC 1458a_100000173376_100000090808 [0,1,0,0,0,1|1,0,0]=3 5190 B14R0.226 COC(=O)COCCC(=O)COCCO 1458a_100000708028_100000090808 [0,1,0,0,0,1|2,0,0]=4 5191 B14R0.226 COC(=O)NCCCC(=O)CCCC#N 1458a_100000753017_100000211468 [0,1,0,0,0,1|1,0,1]=4 5192 B14R0.226 COC(=O)NCCCC(=O)CCCCF 1458a_100000753017_100000729493 [0,1,0,0,0,1|1,0,0]=3 5193 B14R0.226 COC(=O)NCCCC(=O)CCCCO 1458a_100000753017_100000210776 [0,1,0,0,0,1|1,0,0]=3 5194 B14R0.226 COC(=O)NCCCC(=O)NCCCF 11a_100015189416_100000753017 [0,1,0,0,0,1|2,0,0]=4 5195 B14R0.226 COC(=O)NCCCC(=O)NCCCF 1626a_100015189416_100000753017 [0,1,0,0,0,1|2,0,0]=4 5196 B14R0.226 COC(=O)NCCCC(=O)NCCCF 240690a_100015189416_100000753017 [0,1,0,0,0,1|2,0,0]=4 5197 B14R0.226 COC(=O)NCCCC(=O)NCCCF 527a_100015189416_100000753017 [0,1,0,0,0,1|2,0,0]=4 5198 B14R0.226 COC(=O)NCCCC(=O)NCCCO 240690a_100000182051_100000753017 [0,1,0,0,0,1|2,0,0]=4 5199 B14R0.226 COC(=O)NCCCC(=O)NCCCO 527a_100000182051_100000753017 [0,1,0,0,0,1|2,0,0]=4 5200 B14R0.226 COC(=O)NCCCC(=O)NCCSC 11a_100020590264_100000753017 [0,1,0,0,0,1|2,0,0]=4 5201 B14R0.226 COC(=O)NCCCC(=O)NCCSC 1626a_100020590264_100000753017 [0,1,0,0,0,1|2,0,0]=4 5202 B14R0.226 COC(=O)NCCCC(=O)NCCSC 240690a_100020590264_100000753017 [0,1,0,0,0,1|2,0,0]=4 5203 B14R0.226 COC(=O)NCCCC(=O)NCCSC 527a_100020590264_100000753017 [0,1,0,0,0,1|2,0,0]=4 5204 B14R0.226 COCCCC(=O)CCCCC(=O)OC 1458a_100000695723_100000740836 [0,1,0,0,0,1|1,0,0]=3 5205 B14R0.226 COCCCC(=O)CCCCC(=O)OC 1458a_100000741012_100000204269 [0,1,0,0,0,1|1,0,0]=3 5206 B14R0.226 COCCCC(=O)CCCNC(=O)OC 1458a_100000753017_100000740836 [0,1,0,0,0,1|1,0,0]=3 5207 B14R0.226 COCCCC(=O)CCOCC(=O)OC 1458a_100000741012_100000090808 [0,1,0,0,0,1|1,0,0]=3 5208 B14R0.226 COCCCC(=O)NCCCC(=O)OC 188690a_100000184769_100000741012 [0,1,0,0,0,1|1,0,0]=3 5209 B14R0.226 COCCNC(=O)CCCCC(=O)OC 1626a_100000209980_100000695723 [0,1,0,0,0,1|2,0,0]=4 5210 B14R0.226 COCCNC(=O)CCCCC(=O)OC 240690a_100000209980_100000695723 [0,1,0,0,0,1|2,0,0]=4 5211 B14R0.226 COCCNC(=O)CCCCC(=O)OC 527a_100000209980_100000695723 [0,1,0,0,0,1|2,0,0]=4 5212 B14R0.226 COCCNC(=O)CCCNC(=O)OC 1626a_100000209980_100000753017 [0,1,0,0,0,1|2,0,0]=4 5213 B14R0.226 COCCNC(=O)CCCNC(=O)OC 240690a_100000209980_100000753017 [0,1,0,0,0,1|2,0,0]=4 5214 B14R0.226 COCCNC(=O)CCCNC(=O)OC 527a_100000209980_100000753017 [0,1,0,0,0,1|2,0,0]=4 5215 B14R0.226 COCCNC(=O)CNCCC(=O)OC 2230a_100000754632_100000204255 [0,1,0,0,0,1|2,0,0]=4 5216 B14R0.226 COCCNC(=O)CSCCC(=O)OC 62a_100000183275_100000204255 [0,1,0,0,0,1|2,0,0]=4 5217 B14R0.226 COCCNC(=O)CSCCC(=O)OC 62a_100000204255_100000183275 [0,1,0,0,0,1|2,0,0]=4 5218 B14R0.226 COCCOC(=O)CSCCC(=O)OC 62a_100000204255_200000040189 [0,1,0,0,0,1|2,0,0]=4 5219 B14R0.226 COCCOC(=O)CSCCC(=O)OC 62a_200000040189_100000204255 [0,1,0,0,0,1|2,0,0]=4 5220 B14R0.226 COCSCC(=O)NCCCC(=O)OC 62a_100000230218_100000766300 [0,1,0,0,0,1|2,0,0]=4 5221 B14R0.226 COCSCC(=O)NCCCC(=O)OC 62a_100000766300_100000230218 [0,1,0,0,0,1|2,0,0]=4 5222 B14R0.227 CCCCCC(=O)CSC(C)OC(=O)C 62a_100009818208_200012276598 [0,1,0,0,0,1|2,0,0]=4 5223 B14R0.227 CCCCCC(=O)CSC(C)OC(=O)C 62a_200012276598_100009818208 [0,1,0,0,0,1|2,0,0]=4 5224 B14R0.227 CCCCCC(C)NCC(O)CC(=O)O 269956a_100011218706_200011218191 [0,1,0,0,0,1|1,0,1]=4 5225 B14R0.229 CCCCCC(=O)CNCC(C)C(=O)O 269956a_100000749485_200012276598 [0,1,0,0,0,1|0,0,0]=2 5226 B14R0.229 CCCCCC(=O)CNCC(F)C(=O)O 269956a_100000084737_200012276598 [0,1,0,0,0,1|0,0,0]=2 5227 B14R0.229 CCCCCC(=O)COCC(C)C(=O)C 34a_100000032740_200012276598 [0,1,0,0,0,1|1,0,0]=3 5228 B14R0.229 CCCCCC(=O)COCC(C)C(=O)C 7a_100000032740_200012276598 [0,1,0,0,0,1|1,0,0]=3 5229 B14R0.229 CCCCCC(=O)COCC(C)[N+](=O)[O-] 34a_100000039676_200012276598 [0,1,0,0,0,1|1,0,1]=4 5230 B14R0.229 CCCCCC(=O)COCC(C)[N+](=O)[O-] 7a_100000039676_200012276598 [0,1,0,0,0,1|1,0,1]=4 5231 B14R0.229 CCCCCC(=O)COC[C@H](N)C(=O)N 34a_100000729942_200012276598 [0,1,0,0,0,1|1,0,0]=3 5232 B14R0.229 CCCCCC(=O)CSCC(=O)C(=O)C 62a_100011261029_200012276598 [0,1,0,0,0,1|1,0,1]=4 5233 B14R0.229 CCCCCC(=O)CSCC(=O)C(=O)C 62a_200012276598_100011261029 [0,1,0,0,0,1|1,0,1]=4 5234 B14R0.229 CCCCNC(=O)CNCC(C)C(=O)O 269956a_100000749485_100000182744 [0,1,0,0,0,1|1,0,0]=3 5235 B14R0.229 CCCCNC(=O)CNCC(F)C(=O)O 269956a_100000084737_100000182744 [0,1,0,0,0,1|1,0,0]=3 5236 B14R0.229 CCCCNC(=O)COCC(C)C(=O)C 34a_100000032740_100000182744 [0,1,0,0,0,1|2,0,0]=4 5237 B14R0.229 CCCCNC(=O)COCC(C)C(=O)C 7a_100000032740_100000182744 [0,1,0,0,0,1|2,0,0]=4 5238 B14R0.229 CCCCNC(=O)COC[C@H](N)C(=O)N 34a_100000729942_100000182744 [0,1,0,0,0,1|2,0,0]=4 5239 B14R0.229 CCCCOC(=O)CNCC(C)C(=O)O 269956a_100000749485_100000211628 [0,1,0,0,0,1|1,0,0]=3 5240 B14R0.229 CCCCOC(=O)CNCC(F)C(=O)O 269956a_100000084737_100000211628 [0,1,0,0,0,1|1,0,0]=3 5241 B14R0.229 CCCCOC(=O)COCC(C)C(=O)C 34a_100000032740_100000211628 [0,1,0,0,0,1|2,0,0]=4 5242 B14R0.229 CCCCOC(=O)COCC(C)C(=O)C 7a_100000032740_100000211628 [0,1,0,0,0,1|2,0,0]=4 5243 B14R0.229 CCCCOC(=O)COC[C@H](N)C(=O)N 34a_100000729942_100000211628 [0,1,0,0,0,1|2,0,0]=4 5244 B14R0.229 COCCNC(=O)CNCC(C)C(=O)O 269956a_100000749485_100000183275 [0,1,0,0,0,1|2,0,0]=4 5245 B14R0.229 COCCNC(=O)CNCC(F)C(=O)O 269956a_100000084737_100000183275 [0,1,0,0,0,1|2,0,0]=4 5246 B14R0.229 COCCOC(=O)CNCC(C)C(=O)O 269956a_100000749485_200000040189 [0,1,0,0,0,1|2,0,0]=4 5247 B14R0.229 COCCOC(=O)CNCC(F)C(=O)O 269956a_100000084737_200000040189 [0,1,0,0,0,1|2,0,0]=4 5248 B14R0.237 CCCCCC(=O)CNCCS(=O)(=O)C 2230a_100000740961_200012276598 [0,1,0,0,0,1|1,0,1]=4 5249 B14R0.237 CCCCCC(=O)CNCCS(=O)(=O)C 34a_100000740961_200012276598 [0,1,0,0,0,1|1,0,1]=4 5250 B14R0.237 CCCCCC(=O)CNCCS(=O)(=O)N 2230a_100000738205_200012276598 [0,1,0,0,0,1|1,0,1]=4 5251 B14R0.237 CCCCCC(=O)CNCCS(=O)(=O)N 34a_100000738205_200012276598 [0,1,0,0,0,1|1,0,1]=4 5252 B14R0.237 CCCCCC(=O)COCCS(=O)(=O)C 34a_100000211924_200012276598 [0,1,0,0,0,1|1,0,1]=4 5253 B14R0.237 CCCCCC(=O)COCCS(=O)(=O)C 7a_100000211924_200012276598 [0,1,0,0,0,1|1,0,1]=4 5254 B14R0.237 CCCCCC(=O)COCCS(=O)(=O)N 34a_100012334274_200012276598 [0,1,0,0,0,1|1,0,1]=4 5255 B14R0.237 CCCCCC(=O)CSCCC(C)(C)O 62a_100000702414_200012276598 [0,1,0,0,0,1|1,0,1]=4 5256 B14R0.237 CCCCCC(=O)CSCCC(C)(C)O 62a_200012276598_100000702414 [0,1,0,0,0,1|1,0,1]=4 5257 B14R0.237 CCCCCC(=O)CSCCS(=O)(=O)C 62a_100000731031_200012276598 [0,1,0,0,0,1|1,0,1]=4 5258 B14R0.237 CCCCCC(=O)CSCCS(=O)(=O)C 62a_200012276598_100000230027 [0,1,0,0,0,1|1,0,1]=4 5259 B14R0.237 CCCCCC(=O)CSCCS(=O)(=O)[O-] 62a_100000762736_200012276598 [0,1,0,0,0,1|1,0,1]=4 5260 B14R0.237 CCCCCC(=O)CSCCS(=O)(=O)[O-] 62a_200012276598_100000762736 [0,1,0,0,0,1|1,0,1]=4 5261 B14R0.237 CCCCCC(=O)NCCCS(=O)(=O)C 11a_100000742409_100000212188 [0,1,0,0,0,1|1,0,1]=4 5262 B14R0.237 CCCCCC(=O)NCCCS(=O)(=O)C 1626a_100000742409_100000212188 [0,1,0,0,0,1|1,0,1]=4 5263 B14R0.237 CCCCCC(=O)NCCCS(=O)(=O)C 240690a_100000742409_100000212188 [0,1,0,0,0,1|1,0,1]=4 5264 B14R0.237 CCCCCC(=O)NCCCS(=O)(=O)C 527a_100000742409_100000212188 [0,1,0,0,0,1|1,0,1]=4 5265 B14R0.1749 CCC(C)CCC(=O)CCCCB(O)O 1458a_100000701222_200009817182 [0,1,0,0,0,1|1,0,1]=4 5266 B14R0.1749 CCC(C)CCC(=O)CCCCC(=O)C 1458a_100000701222_100000735457 [0,1,0,0,0,1|1,0,0]=3 5267 B14R0.1749 CCC(C)CCC(=O)CCCOC(=O)C 1458a_100000701222_100000042594 [0,1,0,0,0,1|1,0,0]=3 5268 B14R0.1749 CCC(C)CCC(=O)CCCOC(=S)C 1458a_100000701222_200135323944 [0,1,0,0,0,1|1,1,0]=4 5269 B14R0.1749 CCC(C)CCC(=O)CCCSC(=O)C 1458a_100000701222_100000038929 [0,1,0,0,0,1|1,0,0]=3 5270 B14R0.1749 CCC(C)CCC(=O)CCOCC(=O)N 1458a_100000701222_100000076697 [0,1,0,0,0,1|1,0,0]=3 5271 B14R0.1749 CCC(C)CCC(=O)NCCCC(=O)N 240690a_100000739312_100000701222 [0,1,0,0,0,1|1,0,0]=3 5272 B14R0.1749 CCC(C)CCC(=O)NCCCC(=O)N 527a_100000739312_100000701222 [0,1,0,0,0,1|1,0,0]=3 5273 B14R0.1749 CCC(C)CCC(=O)NCCCS(=O)C 11a_200000753449_100000701222 [0,1,0,0,0,1|2,0,0]=4 5274 B14R0.1749 CCC(C)CCC(=O)NCCCS(=O)C 240690a_200000753449_100000701222 [0,1,0,0,0,1|2,0,0]=4 5275 B14R0.1749 CCC(C)CCC(=O)NCCCS(=O)C 527a_200000753449_100000701222 [0,1,0,0,0,1|2,0,0]=4 5276 B14R0.1749 CCC(C)CCC(=O)NCCNC(=O)C 240690a_100000209853_100000701222 [0,1,0,0,0,1|2,0,0]=4 5277 B14R0.1749 CCC(C)CCC(=O)NCCNC(=O)C 527a_100000209853_100000701222 [0,1,0,0,0,1|2,0,0]=4 5278 B14R0.1749 CCC(C)CCC(=O)NCCNC(=O)N 240690a_100020590234_100000701222 [0,1,0,0,0,1|2,0,0]=4 5279 B14R0.1749 CCC(C)CCC(=O)NCCNC(=O)N 527a_100020590234_100000701222 [0,1,0,0,0,1|2,0,0]=4 5280 B14R0.1749 CCC(C)CCC(=O)NCCOC(=O)C 11a_100000724843_100000701222 [0,1,0,0,0,1|2,0,0]=4 5281 B14R0.1749 CCC(C)CCC(=O)NCCOC(=O)C 240690a_100000724843_100000701222 [0,1,0,0,0,1|2,0,0]=4 5282 B14R0.1749 CCC(C)CCC(=O)NCCOC(=O)C 527a_100000724843_100000701222 [0,1,0,0,0,1|2,0,0]=4 5283 B14R0.1749 CCC(C)CCC(=O)NCCSC(=O)C 11a_100020647217_100000701222 [0,1,0,0,0,1|2,0,0]=4 5284 B14R0.1749 CCC(C)CCC(=O)NCCSC(=O)C 240690a_100020647217_100000701222 [0,1,0,0,0,1|2,0,0]=4 5285 B14R0.1749 CCC(C)CCC(=O)NCCSC(=O)C 527a_100020647217_100000701222 [0,1,0,0,0,1|2,0,0]=4 5286 B14R0.1749 CCC(C)CNC(=O)CCCNC(=O)C 11a_100020588543_100000194741 [0,1,0,0,0,1|2,0,0]=4 5287 B14R0.1749 CCC(C)CNC(=O)CCCNC(=O)C 1626a_100020588543_100000194741 [0,1,0,0,0,1|2,0,0]=4 5288 B14R0.1749 CCC(C)CNC(=O)CCCNC(=O)C 240690a_100020588543_100000194741 [0,1,0,0,0,1|2,0,0]=4 5289 B14R0.1749 CCC(C)CNC(=O)CCCNC(=O)C 527a_100020588543_100000194741 [0,1,0,0,0,1|2,0,0]=4 5290 B14R0.1749 CCC(C)CNC(=O)CCSCC(=O)N 11a_100020588543_100000148550 [0,1,0,0,0,1|2,0,0]=4 5291 B14R0.1749 CCC(C)CNC(=O)CCSCC(=O)N 240690a_100020588543_100000148550 [0,1,0,0,0,1|2,0,0]=4 5292 B14R0.1749 CCC(C)CNC(=O)CCSCC(=O)N 527a_100020588543_100000148550 [0,1,0,0,0,1|2,0,0]=4 5293 B14R0.1749 CCC(C)CNC(=O)NCCCC(=O)N 273464a_100000739312_100020588543 [0,1,0,0,0,1|2,0,0]=4 5294 B14R0.1749 CCC(C)CNC(=O)NCCCC(=O)N 273464a_100020588543_100000739312 [0,1,0,0,0,1|2,0,0]=4 5295 B14R0.1749 CCC(C)CNC(=O)NCCCC(=O)N 512a_100000739312_100020588543 [0,1,0,0,0,1|2,0,0]=4 5296 B14R0.1749 CCC(C)CNC(=O)NCCCC(=O)N 512a_100020588543_100000739312 [0,1,0,0,0,1|2,0,0]=4 5297 B14R0.1749 CCC(O)CCC(=O)NCCCC(=O)N 240690a_100000739312_203496584001 [0,1,0,0,0,1|1,0,0]=3 5298 B14R0.1749 CCC(O)CCC(=O)NCCCS(=O)C 240690a_200000753449_203496584001 [0,1,0,0,0,1|2,0,0]=4 5299 B14R0.1749 CCC(O)CCC(=O)NCCNC(=O)C 240690a_100000209853_203496584001 [0,1,0,0,0,1|2,0,0]=4 5300 B14R0.1749 CCC(O)CCC(=O)NCCNC(=O)N 240690a_100020590234_203496584001 [0,1,0,0,0,1|2,0,0]=4 5301 B14R0.1749 CCC(O)CCC(=O)NCCOC(=O)C 240690a_100000724843_203496584001 [0,1,0,0,0,1|2,0,0]=4 5302 B14R0.1749 CCC(O)CCC(=O)NCCSC(=O)C 240690a_100020647217_203496584001 [0,1,0,0,0,1|2,0,0]=4 5303 B14R0.1749 CCC(O)CNC(=O)CCCNC(=O)C 11a_100011218483_100000194741 [0,1,0,0,0,1|2,0,0]=4 5304 B14R0.1749 CCC(O)CNC(=O)CCCNC(=O)C 240690a_100011218483_100000194741 [0,1,0,0,0,1|2,0,0]=4 5305 B14R0.1749 CCC(O)CNC(=O)CCCNC(=O)C 527a_100011218483_100000194741 [0,1,0,0,0,1|2,0,0]=4 5306 B14R0.1749 CCC(O)CNC(=O)CCSCC(=O)N 11a_100011218483_100000148550 [0,1,0,0,0,1|2,0,0]=4 5307 B14R0.1749 CCC(O)CNC(=O)CCSCC(=O)N 240690a_100011218483_100000148550 [0,1,0,0,0,1|2,0,0]=4 5308 B14R0.1749 CCC(O)CNC(=O)CCSCC(=O)N 527a_100011218483_100000148550 [0,1,0,0,0,1|2,0,0]=4 5309 B14R0.1749 CCC(O)CNC(=O)NCCCC(=O)N 273464a_100000739312_100011218483 [0,1,0,0,0,1|2,0,0]=4 5310 B14R0.1749 CCC(O)CNC(=O)NCCCC(=O)N 273464a_100011218483_100000739312 [0,1,0,0,0,1|2,0,0]=4 5311 B14R0.1749 CCC(O)CNC(=O)NCCCC(=O)N 512a_100011218483_100000739312 [0,1,0,0,0,1|2,0,0]=4 5312 B14R0.1749 CCN(C)CCC(=O)CCCCC(=O)C 1458a_100000755305_100000735457 [0,1,0,0,0,1|2,0,0]=4 5313 B14R0.1749 CCN(C)CCC(=O)CCCOC(=O)C 1458a_100000755305_100000042594 [0,1,0,0,0,1|2,0,0]=4 5314 B14R0.1749 CCN(C)CCC(=O)CCCSC(=O)C 1458a_100000755305_100000038929 [0,1,0,0,0,1|2,0,0]=4 5315 B14R0.1749 CCN(C)CCC(=O)CCOCC(=O)N 1458a_100000755305_100000076697 [0,1,0,0,0,1|2,0,0]=4 5316 B14R0.1749 CCN(C)CCC(=O)NCCCC(=O)N 240690a_100000739312_100000755305 [0,1,0,0,0,1|2,0,0]=4 5317 B14R0.1749 CCS(=O)CCC(=O)CCCCC(=O)C 1458a_100011387550_100000735457 [0,1,0,0,0,1|2,0,0]=4 5318 B14R0.1749 CCS(=O)CCC(=O)CCCOC(=O)C 1458a_100011387550_100000042594 [0,1,0,0,0,1|2,0,0]=4 5319 B14R0.1749 CCS(=O)CCC(=O)CCCSC(=O)C 1458a_100011387550_100000038929 [0,1,0,0,0,1|2,0,0]=4 5320 B14R0.1749 CCS(=O)CCC(=O)CCOCC(=O)N 1458a_100011387550_100000076697 [0,1,0,0,0,1|2,0,0]=4 5321 B14R0.1749 CCS(=O)CCC(=O)NCCCC(=O)N 240690a_100000739312_100011387550 [0,1,0,0,0,1|2,0,0]=4 5322 B14R0.1749 CCS(=O)CCC(=O)NCCCC(=O)N 527a_100000739312_100011387550 [0,1,0,0,0,1|2,0,0]=4 5323 B14R0.2224 C#CCCCCC(=O)CCCCC(=O)C 1458a_100000696528_100000735457 [0,1,0,0,0,1|1,0,1]=4 5324 B14R0.2224 C#CCCCCC(=O)CCCNC(=O)C 1458a_100000194741_100010269958 [0,1,0,0,0,1|1,0,1]=4 5325 B14R0.2224 C#CCCCCC(=O)CCCOC(=O)C 1458a_100000696528_100000042594 [0,1,0,0,0,1|1,0,1]=4 5326 B14R0.2224 C#CCCCCC(=O)CCCSC(=O)C 1458a_100000696528_100000038929 [0,1,0,0,0,1|1,0,1]=4 5327 B14R0.2224 C#CCCCCC(=O)CCOCC(=O)N 1458a_100000696528_100000076697 [0,1,0,0,0,1|1,0,1]=4 5328 B14R0.2224 C#CCCCCC(=O)CCSCC(=O)N 1458a_100000148550_100010269958 [0,1,0,0,0,1|1,0,1]=4 5329 B14R0.2224 C#CCCCCC(=O)NCCCC(=O)N 240690a_100000739312_100000696528 [0,1,0,0,0,1|1,0,1]=4 5330 B14R0.2224 C#CCCCCC(=O)NCCCC(=O)N 527a_100000739312_100000696528 [0,1,0,0,0,1|1,0,1]=4 5331 B14R0.2224 C=C(Br)CCOCC(=O)NCCCCC 34a_100009813270_100000230301 [0,1,0,0,0,1|2,0,0]=4 5332 B14R0.2224 C=C(C)CCOCC(=O)NCCCCC 34a_100000764851_100000230301 [0,1,0,0,0,1|2,0,0]=4 5333 B14R0.2224 C=C(C)CCSCC(=O)NCCCCC 62a_100000230301_100000730704 [0,1,0,0,0,1|2,0,0]=4 5334 B14R0.2224 C=C(C)CCSCC(=O)NCCCCC 62a_100000730704_100000230301 [0,1,0,0,0,1|2,0,0]=4 5335 B14R0.2224 C=CCCCCC(=O)CCCCC(=O)C 1458a_100011215552_100000735457 [0,1,0,0,0,1|1,0,1]=4 5336 B14R0.2224 C=CCCCCC(=O)CCCNC(=O)C 1458a_100000194741_100011215482 [0,1,0,0,0,1|1,0,1]=4 5337 B14R0.2224 C=CCCCCC(=O)CCCOC(=O)C 1458a_100011215552_100000042594 [0,1,0,0,0,1|1,0,1]=4 5338 B14R0.2224 C=CCCCCC(=O)CCCSC(=O)C 1458a_100011215552_100000038929 [0,1,0,0,0,1|1,0,1]=4 5339 B14R0.2224 C=CCCCCC(=O)CCOCC(=O)N 1458a_100011215552_100000076697 [0,1,0,0,0,1|1,0,1]=4 5340 B14R0.2224 C=CCCCCC(=O)CCSCC(=O)N 1458a_100000148550_100011215482 [0,1,0,0,0,1|1,0,1]=4 5341 B14R0.2224 C=CCCCCC(=O)NCCCC(=O)N 240690a_100000739312_100011215552 [0,1,0,0,0,1|1,0,1]=4 5342 B14R0.2224 C=CCCCCC(=O)NCCCC(=O)N 527a_100000739312_100011215552 [0,1,0,0,0,1|1,0,1]=4 5343 B14R0.2224 CC(=O)CCCCC(=O)CCCCCO 1458a_100102619762_100000735457 [0,1,0,0,0,1|1,0,0]=3 5344 B14R0.2224 CC(=O)CCCCC(=O)CCOCCO 1458a_100011229844_100000735457 [0,1,0,0,0,1|2,0,0]=4 5345 B14R0.2224 CC(=O)NCCCC(=O)CCCCC#N 1458a_100000194741_100000211819 [0,1,0,0,0,1|1,0,1]=4 5346 B14R0.2224 CC(=O)NCCCC(=O)CCCCCF 1458a_100000194741_100000729378 [0,1,0,0,0,1|1,0,0]=3 5347 B14R0.2224 CC(=O)NCCCC(=O)CCCCCO 1458a_100000194741_100000746330 [0,1,0,0,0,1|1,0,0]=3 5348 B14R0.2224 CC(=O)NCCCC(=O)CCOCCO 1458a_100000194741_100011215305 [0,1,0,0,0,1|2,0,0]=4 5349 B14R0.2224 CC(=O)NCCCC(=O)NCCCCO 240690a_100000750430_100000194741 [0,1,0,0,0,1|2,0,0]=4 5350 B14R0.2224 CC(=O)NCCCC(=O)NCCCCO 527a_100000750430_100000194741 [0,1,0,0,0,1|2,0,0]=4 5351 B14R0.2224 CC(=O)NCCNC(=O)CCCCCO 240690a_100000209853_100102619762 [0,1,0,0,0,1|2,0,0]=4 5352 B14R0.2224 CC(=O)OCCCC(=O)CCCCCO 1458a_100102619762_100000042594 [0,1,0,0,0,1|1,0,0]=3 5353 B14R0.2224 CC(=O)OCCCC(=O)CCOCCO 1458a_100011229844_100000042594 [0,1,0,0,0,1|2,0,0]=4 5354 B14R0.2224 CC(=O)OCCNC(=O)CCCCCO 240690a_100000724843_100102619762 [0,1,0,0,0,1|2,0,0]=4 5355 B14R0.2224 CC(=O)SCCCC(=O)CCCCCO 1458a_100102619762_100000038929 [0,1,0,0,0,1|1,0,0]=3 5356 B14R0.2224 CC(=O)SCCCC(=O)CCOCCO 1458a_100011229844_100000038929 [0,1,0,0,0,1|2,0,0]=4 5357 B14R0.2224 CC(=O)SCCNC(=O)CCCCCO 240690a_100020647217_100102619762 [0,1,0,0,0,1|2,0,0]=4 5358 B14R0.2224 CC(=S)OCCCC(=O)CCCCCO 1458a_100102619762_200135323944 [0,1,0,0,0,1|1,1,0]=4 5359 B14R0.2224 CC/C=C\CCC(=O)CCCNC(=O)C 1458a_100000194741_100015370543 [0,1,0,0,0,1|1,0,1]=4 5360 B14R0.2224 CC/C=C\CCC(=O)CCSCC(=O)N 1458a_100000148550_100015370543 [0,1,0,0,0,1|1,0,1]=4 5361 B14R0.2224 CCC/C=C/CC(=O)CCCCC(=O)C 1458a_200016266809_100000735457 [0,1,0,0,0,1|1,0,1]=4 5362 B14R0.2224 CCC/C=C/CC(=O)CCCOC(=O)C 1458a_200016266809_100000042594 [0,1,0,0,0,1|1,0,1]=4 5363 B14R0.2224 CCC/C=C/CC(=O)CCCSC(=O)C 1458a_200016266809_100000038929 [0,1,0,0,0,1|1,0,1]=4 5364 B14R0.2224 CCC/C=C/CC(=O)CCOCC(=O)N 1458a_200016266809_100000076697 [0,1,0,0,0,1|1,0,1]=4 5365 B14R0.2224 CCC/C=C/CC(=O)NCCCC(=O)N 240690a_100000739312_200016266809 [0,1,0,0,0,1|1,0,1]=4 5366 B14R0.2224 CCC/C=C/CC(=O)NCCCC(=O)N 527a_100000739312_200016266809 [0,1,0,0,0,1|1,0,1]=4 5367 B14R0.2224 CCCCC=CC(=O)CCCCC(=O)C 1458a_100016266645_100000735457 [0,1,0,0,0,1|1,0,1]=4 5368 B14R0.2224 CCCCC=CC(=O)CCCOC(=O)C 1458a_100016266645_100000042594 [0,1,0,0,0,1|1,0,1]=4 5369 B14R0.2224 CCCCC=CC(=O)CCCSC(=O)C 1458a_100016266645_100000038929 [0,1,0,0,0,1|1,0,1]=4 5370 B14R0.2224 CCCCC=CC(=O)CCOCC(=O)N 1458a_100016266645_100000076697 [0,1,0,0,0,1|1,0,1]=4 5371 B14R0.2224 CCCCC=CC(=O)NCCCC(=O)N 240690a_100000739312_100016266645 [0,1,0,0,0,1|1,0,1]=4 5372 B14R0.2224 CCCCCCC(=O)CCCCB(O)O 1458a_100102632555_200009817182 [0,1,0,0,0,1|1,0,1]=4 5373 B14R0.2224 CCCCCCC(=O)CCCCC(=O)C 1458a_100102632555_100000735457 [0,1,0,0,0,1|1,0,0]=3 5374 B14R0.2224 CCCCCCC(=O)CCCN=C(N)N 1458a_100000034108_100000210757 [0,1,0,0,0,1|2,0,0]=4 5375 B14R0.2224 CCCCCCC(=O)CCCNC(=O)C 1458a_100000194741_100000210757 [0,1,0,0,0,1|1,0,0]=3 5376 B14R0.2224 CCCCCCC(=O)CCCOC(=O)C 1458a_100102632555_100000042594 [0,1,0,0,0,1|1,0,0]=3 5377 B14R0.2224 CCCCCCC(=O)CCCOC(=S)C 1458a_100102632555_200135323944 [0,1,0,0,0,1|1,1,0]=4 5378 B14R0.2224 CCCCCCC(=O)CCCSC(=O)C 1458a_100102632555_100000038929 [0,1,0,0,0,1|1,0,0]=3 5379 B14R0.2224 CCCCCCC(=O)CCOCC(=O)N 1458a_100102632555_100000076697 [0,1,0,0,0,1|1,0,0]=3 5380 B14R0.2224 CCCCCCC(=O)CCSCC(=O)N 1458a_100000148550_100000210757 [0,1,0,0,0,1|1,0,0]=3 5381 B14R0.2224 CCCCCCC(=O)NCCCC(=O)N 240690a_100000739312_100102632555 [0,1,0,0,0,1|1,0,0]=3 5382 B14R0.2224 CCCCCCC(=O)NCCCC(=O)N 527a_100000739312_100102632555 [0,1,0,0,0,1|1,0,0]=3 5383 B14R0.2224 CCCCCCC(=O)NCCCS(=O)C 11a_200000753449_100102632555 [0,1,0,0,0,1|2,0,0]=4 5384 B14R0.2224 CCCCCCC(=O)NCCCS(=O)C 240690a_200000753449_100102632555 [0,1,0,0,0,1|2,0,0]=4 5385 B14R0.2224 CCCCCCC(=O)NCCCS(=O)C 527a_200000753449_100102632555 [0,1,0,0,0,1|2,0,0]=4 5386 B14R0.2224 CCCCCCC(=O)NCCNC(=O)C 240690a_100000209853_100102632555 [0,1,0,0,0,1|2,0,0]=4 5387 B14R0.2224 CCCCCCC(=O)NCCNC(=O)C 527a_100000209853_100102632555 [0,1,0,0,0,1|2,0,0]=4 5388 B14R0.2224 CCCCCCC(=O)NCCNC(=O)N 240690a_100020590234_100102632555 [0,1,0,0,0,1|2,0,0]=4 5389 B14R0.2224 CCCCCCC(=O)NCCNC(=O)N 527a_100020590234_100102632555 [0,1,0,0,0,1|2,0,0]=4 5390 B14R0.2224 CCCCCCC(=O)NCCOC(=O)C 11a_100000724843_100102632555 [0,1,0,0,0,1|2,0,0]=4 5391 B14R0.2224 CCCCCCC(=O)NCCOC(=O)C 240690a_100000724843_100102632555 [0,1,0,0,0,1|2,0,0]=4 5392 B14R0.2224 CCCCCCC(=O)NCCOC(=O)C 527a_100000724843_100102632555 [0,1,0,0,0,1|2,0,0]=4 5393 B14R0.2224 CCCCCCC(=O)NCCSC(=O)C 11a_100020647217_100102632555 [0,1,0,0,0,1|2,0,0]=4 5394 B14R0.2224 CCCCCCC(=O)NCCSC(=O)C 240690a_100020647217_100102632555 [0,1,0,0,0,1|2,0,0]=4 5395 B14R0.2224 CCCCCCC(=O)NCCSC(=O)C 527a_100020647217_100102632555 [0,1,0,0,0,1|2,0,0]=4 5396 B14R0.2224 CCCCCNC(=O)CCCN=C(N)N 240690a_100000209983_100000034108 [0,1,0,0,0,1|2,0,0]=4 5397 B14R0.2224 CCCCCNC(=O)CCCNC(=O)C 11a_100000209983_100000194741 [0,1,0,0,0,1|1,0,0]=3 5398 B14R0.2224 CCCCCNC(=O)CCCNC(=O)C 1626a_100000209983_100000194741 [0,1,0,0,0,1|1,0,0]=3 5399 B14R0.2224 CCCCCNC(=O)CCCNC(=O)C 240690a_100000209983_100000194741 [0,1,0,0,0,1|1,0,0]=3 5400 B14R0.2224 CCCCCNC(=O)CCCNC(=O)C 527a_100000209983_100000194741 [0,1,0,0,0,1|1,0,0]=3 5401 B14R0.2224 CCCCCNC(=O)CCSCC(=O)N 11a_100000209983_100000148550 [0,1,0,0,0,1|1,0,0]=3 5402 B14R0.2224 CCCCCNC(=O)CCSCC(=O)N 240690a_100000209983_100000148550 [0,1,0,0,0,1|1,0,0]=3 5403 B14R0.2224 CCCCCNC(=O)CCSCC(=O)N 527a_100000209983_100000148550 [0,1,0,0,0,1|1,0,0]=3 5404 B14R0.2224 CCCCCNC(=O)CNCCC(C)O 2230a_200000755665_100000230301 [0,1,0,0,0,1|1,0,1]=4 5405 B14R0.2224 CCCCCNC(=O)CNOCC(=O)O 269956a_100000106656_100000230301 [0,1,0,0,0,1|1,0,0]=3 5406 B14R0.2224 CCCCCNC(=O)COCCC(=O)C 34a_100000759926_100000230301 [0,1,0,0,0,1|1,0,0]=3 5407 B14R0.2224 CCCCCNC(=O)COCCC(=O)C 7a_100000759926_100000230301 [0,1,0,0,0,1|1,0,0]=3 5408 B14R0.2224 CCCCCNC(=O)COCCC(=O)N 34a_100000757172_100000230301 [0,1,0,0,0,1|1,0,0]=3 5409 B14R0.2224 CCCCCNC(=O)COCCC(=O)N 7a_100000757172_100000230301 [0,1,0,0,0,1|1,0,0]=3 5410 B14R0.2224 CCCCCNC(=O)CSCCC(=O)C 62a_100000053229_100000230301 [0,1,0,0,0,1|1,0,0]=3 5411 B14R0.2224 CCCCCNC(=O)CSCCC(=O)C 62a_100000230301_100000053229 [0,1,0,0,0,1|1,0,0]=3 5412 B14R0.2224 CCCCCNC(=O)CSCCC(=O)N 62a_100000230301_100000744528 [0,1,0,0,0,1|1,0,0]=3 5413 B14R0.2224 CCCCCNC(=O)CSCCC(=O)N 62a_100000744528_100000230301 [0,1,0,0,0,1|1,0,0]=3 5414 B14R0.2224 CCCCCNC(=O)CSCCC(C)O 62a_100000230301_100012276601 [0,1,0,0,0,1|1,0,1]=4 5415 B14R0.2224 CCCCCNC(=O)CSCCC(C)O 62a_100012276601_100000230301 [0,1,0,0,0,1|1,0,1]=4 5416 B14R0.2224 CCCCCNC(=O)CSCOC(=O)C 62a_100000076356_100000230301 [0,1,0,0,0,1|2,0,0]=4 5417 B14R0.2224 CCCCCNC(=O)CSCOC(=O)C 62a_100000230301_100000076356 [0,1,0,0,0,1|2,0,0]=4 5418 B14R0.2224 CCCCCNC(=O)NCCCC(=O)N 273464a_100000209983_100000739312 [0,1,0,0,0,1|1,0,0]=3 5419 B14R0.2224 CCCCCNC(=O)NCCCC(=O)N 273464a_100000739312_100000209983 [0,1,0,0,0,1|1,0,0]=3 5420 B14R0.2224 CCCCCNC(=O)NCCCC(=O)N 512a_100000209983_100000739312 [0,1,0,0,0,1|1,0,0]=3 5421 B14R0.2224 CCCCCNC(=O)NCCCC(=O)N 512a_100000739312_100000209983 [0,1,0,0,0,1|1,0,0]=3 5422 B14R0.2224 CCCCCNC(=O)NCCCS(=O)C 2708a_100000209983_200000753449 [0,1,0,0,0,1|2,0,0]=4 5423 B14R0.2224 CCCCCNC(=O)NCCCS(=O)C 2708a_200000753449_100000209983 [0,1,0,0,0,1|2,0,0]=4 5424 B14R0.2224 CCCCCNC(=O)NCCCS(=O)C 273464a_100000209983_200000753449 [0,1,0,0,0,1|2,0,0]=4 5425 B14R0.2224 CCCCCNC(=O)NCCCS(=O)C 273464a_200000753449_100000209983 [0,1,0,0,0,1|2,0,0]=4 5426 B14R0.2224 CCCCCNC(=O)NCCCS(=O)C 512a_100000209983_200000753449 [0,1,0,0,0,1|2,0,0]=4 5427 B14R0.2224 CCCCCNC(=O)NCCCS(=O)C 512a_200000753449_100000209983 [0,1,0,0,0,1|2,0,0]=4 5428 B14R0.2224 CCCCCNC(=O)NCCNC(=O)C 2708a_100000209853_100000209983 [0,1,0,0,0,1|2,0,0]=4 5429 B14R0.2224 CCCCCNC(=O)NCCNC(=O)C 2708a_100000209983_100000209853 [0,1,0,0,0,1|2,0,0]=4 5430 B14R0.2224 CCCCCNC(=O)NCCNC(=O)C 273464a_100000209853_100000209983 [0,1,0,0,0,1|2,0,0]=4 5431 B14R0.2224 CCCCCNC(=O)NCCNC(=O)C 273464a_100000209983_100000209853 [0,1,0,0,0,1|2,0,0]=4 5432 B14R0.2224 CCCCCNC(=O)NCCNC(=O)C 512a_100000209853_100000209983 [0,1,0,0,0,1|2,0,0]=4 5433 B14R0.2224 CCCCCNC(=O)NCCNC(=O)C 512a_100000209983_100000209853 [0,1,0,0,0,1|2,0,0]=4 5434 B14R0.2224 CCCCCNC(=O)NCCNC(=O)N 2708a_100000209983_100020590234 [0,1,0,0,0,1|2,0,0]=4 5435 B14R0.2224 CCCCCNC(=O)NCCNC(=O)N 273464a_100000209983_100020590234 [0,1,0,0,0,1|2,0,0]=4 5436 B14R0.2224 CCCCCNC(=O)NCCNC(=O)N 273464a_100020590234_100000209983 [0,1,0,0,0,1|2,0,0]=4 5437 B14R0.2224 CCCCCNC(=O)NCCNC(=O)N 512a_100000209983_100020590234 [0,1,0,0,0,1|2,0,0]=4 5438 B14R0.2224 CCCCCNC(=O)NCCNC(=O)N 512a_100020590234_100000209983 [0,1,0,0,0,1|2,0,0]=4 5439 B14R0.2224 CCCCCNC(=O)NCCOC(=O)C 2708a_100000209983_100000724843 [0,1,0,0,0,1|2,0,0]=4 5440 B14R0.2224 CCCCCNC(=O)NCCOC(=O)C 273464a_100000209983_100000724843 [0,1,0,0,0,1|2,0,0]=4 5441 B14R0.2224 CCCCCNC(=O)NCCOC(=O)C 273464a_100000724843_100000209983 [0,1,0,0,0,1|2,0,0]=4 5442 B14R0.2224 CCCCCNC(=O)NCCOC(=O)C 512a_100000209983_100000724843 [0,1,0,0,0,1|2,0,0]=4 5443 B14R0.2224 CCCCCNC(=O)NCCOC(=O)C 512a_100000724843_100000209983 [0,1,0,0,0,1|2,0,0]=4 5444 B14R0.2224 CCCCCNC(=O)NCCSC(=O)C 2708a_100000209983_100020647217 [0,1,0,0,0,1|2,0,0]=4 5445 B14R0.2224 CCCCCNC(=O)NCCSC(=O)C 2708a_100020647217_100000209983 [0,1,0,0,0,1|2,0,0]=4 5446 B14R0.2224 CCCCCNC(=O)NCCSC(=O)C 273464a_100000209983_100020647217 [0,1,0,0,0,1|2,0,0]=4 5447 B14R0.2224 CCCCCNC(=O)NCCSC(=O)C 273464a_100020647217_100000209983 [0,1,0,0,0,1|2,0,0]=4 5448 B14R0.2224 CCCCCNC(=O)NCCSC(=O)C 512a_100000209983_100020647217 [0,1,0,0,0,1|2,0,0]=4 5449 B14R0.2224 CCCCCNC(=O)NCCSC(=O)C 512a_100020647217_100000209983 [0,1,0,0,0,1|2,0,0]=4 5450 B14R0.2224 CCCCNNC(=O)CCCNC(=O)C 22a_100025702795_100000194741 [0,1,0,0,0,1|2,0,0]=4 5451 B14R0.2224 CCCCNNC(=O)CCSCC(=O)N 22a_100025702795_100000148550 [0,1,0,0,0,1|2,0,0]=4 5452 B14R0.2224 CCCCNNC(=O)NCCCC(=O)N 273464a_100000739312_100025702795 [0,1,0,0,0,1|2,0,0]=4 5453 B14R0.2224 CCCCNNC(=O)NCCCC(=O)N 512a_100000739312_100025702795 [0,1,0,0,0,1|2,0,0]=4 5454 B14R0.2224 CCCCNNC(=O)NCCCC(=O)N 512a_100025702795_100000739312 [0,1,0,0,0,1|2,0,0]=4 5455 B14R0.2224 CCCCOCC(=O)CCCCB(O)O 1458a_100000757543_200009817182 [0,1,0,0,0,1|1,0,1]=4 5456 B14R0.2224 CCCCOCC(=O)CCCCC(=O)C 1458a_100000757543_100000735457 [0,1,0,0,0,1|1,0,0]=3 5457 B14R0.2224 CCCCOCC(=O)CCCN=C(N)N 1458a_100000034108_100011995733 [0,1,0,0,0,1|2,0,0]=4 5458 B14R0.2224 CCCCOCC(=O)CCCNC(=O)C 1458a_100000194741_100011995733 [0,1,0,0,0,1|1,0,0]=3 5459 B14R0.2224 CCCCOCC(=O)CCCOC(=O)C 1458a_100000757543_100000042594 [0,1,0,0,0,1|1,0,0]=3 5460 B14R0.2224 CCCCOCC(=O)CCCOC(=S)C 1458a_100000757543_200135323944 [0,1,0,0,0,1|1,1,0]=4 5461 B14R0.2224 CCCCOCC(=O)CCCSC(=O)C 1458a_100000757543_100000038929 [0,1,0,0,0,1|1,0,0]=3 5462 B14R0.2224 CCCCOCC(=O)CCOCC(=O)N 1458a_100000757543_100000076697 [0,1,0,0,0,1|1,0,0]=3 5463 B14R0.2224 CCCCOCC(=O)CCSCC(=O)N 1458a_100000148550_100011995733 [0,1,0,0,0,1|1,0,0]=3 5464 B14R0.2224 CCCCOCC(=O)NCCCC(=O)N 240690a_100000739312_100000757543 [0,1,0,0,0,1|1,0,0]=3 5465 B14R0.2224 CCCCOCC(=O)NCCCC(=O)N 527a_100000739312_100000757543 [0,1,0,0,0,1|1,0,0]=3 5466 B14R0.2224 CCCCOCC(=O)NCCCS(=O)C 11a_200000753449_100000757543 [0,1,0,0,0,1|2,0,0]=4 5467 B14R0.2224 CCCCOCC(=O)NCCCS(=O)C 240690a_200000753449_100000757543 [0,1,0,0,0,1|2,0,0]=4 5468 B14R0.2224 CCCCOCC(=O)NCCCS(=O)C 527a_200000753449_100000757543 [0,1,0,0,0,1|2,0,0]=4 5469 B14R0.2224 CCCCOCC(=O)NCCNC(=O)C 240690a_100000209853_100000757543 [0,1,0,0,0,1|2,0,0]=4 5470 B14R0.2224 CCCCOCC(=O)NCCNC(=O)C 527a_100000209853_100000757543 [0,1,0,0,0,1|2,0,0]=4 5471 B14R0.2224 CCCCOCC(=O)NCCNC(=O)N 240690a_100020590234_100000757543 [0,1,0,0,0,1|2,0,0]=4 5472 B14R0.2224 CCCCOCC(=O)NCCNC(=O)N 527a_100020590234_100000757543 [0,1,0,0,0,1|2,0,0]=4 5473 B14R0.2224 CCCCOCC(=O)NCCOC(=O)C 11a_100000724843_100000757543 [0,1,0,0,0,1|2,0,0]=4 5474 B14R0.2224 CCCCOCC(=O)NCCOC(=O)C 240690a_100000724843_100000757543 [0,1,0,0,0,1|2,0,0]=4 5475 B14R0.2224 CCCCOCC(=O)NCCOC(=O)C 527a_100000724843_100000757543 [0,1,0,0,0,1|2,0,0]=4 5476 B14R0.2224 CCCCOCC(=O)NCCSC(=O)C 11a_100020647217_100000757543 [0,1,0,0,0,1|2,0,0]=4 5477 B14R0.2224 CCCCOCC(=O)NCCSC(=O)C 240690a_100020647217_100000757543 [0,1,0,0,0,1|2,0,0]=4 5478 B14R0.2224 CCCCOCC(=O)NCCSC(=O)C 527a_100020647217_100000757543 [0,1,0,0,0,1|2,0,0]=4 5479 B14R0.2224 CCCCSCC(=O)CCCCB(O)O 1458a_100000191162_200009817182 [0,1,0,0,0,1|1,0,1]=4 5480 B14R0.2224 CCCCSCC(=O)CCCCC(=O)C 1458a_100000191162_100000735457 [0,1,0,0,0,1|1,0,0]=3 5481 B14R0.2224 CCCCSCC(=O)CCCOC(=O)C 1458a_100000191162_100000042594 [0,1,0,0,0,1|1,0,0]=3 5482 B14R0.2224 CCCCSCC(=O)CCCOC(=S)C 1458a_100000191162_200135323944 [0,1,0,0,0,1|1,1,0]=4 5483 B14R0.2224 CCCCSCC(=O)CCCSC(=O)C 1458a_100000191162_100000038929 [0,1,0,0,0,1|1,0,0]=3 5484 B14R0.2224 CCCCSCC(=O)CCOCC(=O)N 1458a_100000191162_100000076697 [0,1,0,0,0,1|1,0,0]=3 5485 B14R0.2224 CCCCSCC(=O)NCCCC(=O)N 240690a_100000739312_100000191162 [0,1,0,0,0,1|1,0,0]=3 5486 B14R0.2224 CCCCSCC(=O)NCCCC(=O)N 527a_100000739312_100000191162 [0,1,0,0,0,1|1,0,0]=3 5487 B14R0.2224 CCCCSCC(=O)NCCCS(=O)C 11a_200000753449_100000191162 [0,1,0,0,0,1|2,0,0]=4 5488 B14R0.2224 CCCCSCC(=O)NCCCS(=O)C 240690a_200000753449_100000191162 [0,1,0,0,0,1|2,0,0]=4 5489 B14R0.2224 CCCCSCC(=O)NCCCS(=O)C 527a_200000753449_100000191162 [0,1,0,0,0,1|2,0,0]=4 5490 B14R0.2224 CCCCSCC(=O)NCCNC(=O)C 240690a_100000209853_100000191162 [0,1,0,0,0,1|2,0,0]=4 5491 B14R0.2224 CCCCSCC(=O)NCCNC(=O)C 527a_100000209853_100000191162 [0,1,0,0,0,1|2,0,0]=4 5492 B14R0.2224 CCCCSCC(=O)NCCNC(=O)N 240690a_100020590234_100000191162 [0,1,0,0,0,1|2,0,0]=4 5493 B14R0.2224 CCCCSCC(=O)NCCNC(=O)N 527a_100020590234_100000191162 [0,1,0,0,0,1|2,0,0]=4 5494 B14R0.2224 CCCCSCC(=O)NCCOC(=O)C 11a_100000724843_100000191162 [0,1,0,0,0,1|2,0,0]=4 5495 B14R0.2224 CCCCSCC(=O)NCCOC(=O)C 240690a_100000724843_100000191162 [0,1,0,0,0,1|2,0,0]=4 5496 B14R0.2224 CCCCSCC(=O)NCCOC(=O)C 527a_100000724843_100000191162 [0,1,0,0,0,1|2,0,0]=4 5497 B14R0.2224 CCCCSCC(=O)NCCSC(=O)C 11a_100020647217_100000191162 [0,1,0,0,0,1|2,0,0]=4 5498 B14R0.2224 CCCCSCC(=O)NCCSC(=O)C 240690a_100020647217_100000191162 [0,1,0,0,0,1|2,0,0]=4 5499 B14R0.2224 CCCCSCC(=O)NCCSC(=O)C 527a_100020647217_100000191162 [0,1,0,0,0,1|2,0,0]=4 5500 B14R0.2224 CCCOCCC(=O)CCCN=C(N)N 1458a_100000034108_100011215938 [0,1,0,0,0,1|2,0,0]=4 5501 B14R0.2224 CCCOCCC(=O)CCCNC(=O)C 1458a_100000194741_100011215938 [0,1,0,0,0,1|1,0,0]=3 5502 B14R0.2224 CCCOCCC(=O)CCSCC(=O)N 1458a_100000148550_100011215938 [0,1,0,0,0,1|1,0,0]=3 5503 B14R0.2224 CCOCCCC(=O)CCCN=C(N)N 1458a_100000034108_100012232248 [0,1,0,0,0,1|2,0,0]=4 5504 B14R0.2224 CCOCCCC(=O)CCCNC(=O)C 1458a_100000194741_100012232248 [0,1,0,0,0,1|1,0,0]=3 5505 B14R0.2224 CCOCCCC(=O)CCSCC(=O)N 1458a_100000148550_100012232248 [0,1,0,0,0,1|1,0,0]=3 5506 B14R0.2224 CCOCCNC(=O)CCCNC(=O)C 11a_100011200944_100000194741 [0,1,0,0,0,1|2,0,0]=4 5507 B14R0.2224 CCOCCNC(=O)CCCNC(=O)C 1626a_102516460346_100000194741 [0,1,0,0,0,1|2,0,0]=4 5508 B14R0.2224 CCOCCNC(=O)CCCNC(=O)C 240690a_100011200944_100000194741 [0,1,0,0,0,1|2,0,0]=4 5509 B14R0.2224 CCOCCNC(=O)CCCNC(=O)C 527a_100011200944_100000194741 [0,1,0,0,0,1|2,0,0]=4 5510 B14R0.2224 CCOCCNC(=O)CCSCC(=O)N 11a_100011200944_100000148550 [0,1,0,0,0,1|2,0,0]=4 5511 B14R0.2224 CCOCCNC(=O)CCSCC(=O)N 240690a_100011200944_100000148550 [0,1,0,0,0,1|2,0,0]=4 5512 B14R0.2224 CCOCCNC(=O)CCSCC(=O)N 527a_100011200944_100000148550 [0,1,0,0,0,1|2,0,0]=4 5513 B14R0.2224 CCOCCNC(=O)NCCCC(=O)N 273464a_100000739312_102516460346 [0,1,0,0,0,1|2,0,0]=4 5514 B14R0.2224 CCOCCNC(=O)NCCCC(=O)N 273464a_102516460346_100000739312 [0,1,0,0,0,1|2,0,0]=4 5515 B14R0.2224 CCOCCNC(=O)NCCCC(=O)N 512a_100000739312_100011200944 [0,1,0,0,0,1|2,0,0]=4 5516 B14R0.2224 CCOCCNC(=O)NCCCC(=O)N 512a_100011200944_100000739312 [0,1,0,0,0,1|2,0,0]=4 5517 B14R0.2224 CCOCCOC(=O)CNOCC(=O)O 269956a_100000106656_200000101388 [0,1,0,0,0,1|2,0,0]=4 5518 B14R0.2224 CCOCCOC(=O)COCCC(=O)C 34a_100000759926_200000101388 [0,1,0,0,0,1|2,0,0]=4 5519 B14R0.2224 CCOCCOC(=O)COCCC(=O)C 7a_100000759926_200000101388 [0,1,0,0,0,1|2,0,0]=4 5520 B14R0.2224 CCOCCOC(=O)COCCC(=O)N 34a_100000757172_200000101388 [0,1,0,0,0,1|2,0,0]=4 5521 B14R0.2224 CCOCCOC(=O)COCCC(=O)N 7a_100000757172_200000101388 [0,1,0,0,0,1|2,0,0]=4 5522 B14R0.2224 CCOCCOC(=O)CSCCC(=O)C 62a_100000053229_200000101388 [0,1,0,0,0,1|2,0,0]=4 5523 B14R0.2224 CCOCCOC(=O)CSCCC(=O)C 62a_200000101388_100000053229 [0,1,0,0,0,1|2,0,0]=4 5524 B14R0.2224 CCOCCOC(=O)CSCCC(=O)N 62a_100000744528_200000101388 [0,1,0,0,0,1|2,0,0]=4 5525 B14R0.2224 CCOCCOC(=O)CSCCC(=O)N 62a_200000101388_100000744528 [0,1,0,0,0,1|2,0,0]=4 5526 B14R0.2224 CCSCCNC(=O)CCCNC(=O)C 11a_100000106463_100000194741 [0,1,0,0,0,1|2,0,0]=4 5527 B14R0.2224 CCSCCNC(=O)CCCNC(=O)C 1626a_100000106463_100000194741 [0,1,0,0,0,1|2,0,0]=4 5528 B14R0.2224 CCSCCNC(=O)CCCNC(=O)C 240690a_100000106463_100000194741 [0,1,0,0,0,1|2,0,0]=4 5529 B14R0.2224 CCSCCNC(=O)CCCNC(=O)C 527a_100000106463_100000194741 [0,1,0,0,0,1|2,0,0]=4 5530 B14R0.2224 CCSCCNC(=O)CCSCC(=O)N 11a_100000106463_100000148550 [0,1,0,0,0,1|2,0,0]=4 5531 B14R0.2224 CCSCCNC(=O)CCSCC(=O)N 240690a_100000106463_100000148550 [0,1,0,0,0,1|2,0,0]=4 5532 B14R0.2224 CCSCCNC(=O)CCSCC(=O)N 527a_100000106463_100000148550 [0,1,0,0,0,1|2,0,0]=4 5533 B14R0.2224 CCSCCNC(=O)NCCCC(=O)N 273464a_100000106463_100000739312 [0,1,0,0,0,1|2,0,0]=4 5534 B14R0.2224 CCSCCNC(=O)NCCCC(=O)N 273464a_100000739312_100000106463 [0,1,0,0,0,1|2,0,0]=4 5535 B14R0.2224 CCSCCNC(=O)NCCCC(=O)N 512a_100000106463_100000739312 [0,1,0,0,0,1|2,0,0]=4 5536 B14R0.2224 CCSCCNC(=O)NCCCC(=O)N 512a_100000739312_100000106463 [0,1,0,0,0,1|2,0,0]=4 5537 B14R0.2224 COCCCCC(=O)CCCN=C(N)N 1458a_100000034108_100000755781 [0,1,0,0,0,1|2,0,0]=4 5538 B14R0.2224 COCCCCC(=O)CCCNC(=O)C 1458a_100000194741_100000755781 [0,1,0,0,0,1|1,0,0]=3 5539 B14R0.2224 COCCCCC(=O)CCSCC(=O)N 1458a_100000148550_100000755781 [0,1,0,0,0,1|1,0,0]=3 5540 B14R0.2224 COCCCNC(=O)CCCNC(=O)C 1626a_100150723488_100000194741 [0,1,0,0,0,1|2,0,0]=4 5541 B14R0.2224 COCCCNC(=O)CCCNC(=O)C 240690a_100150723488_100000194741 [0,1,0,0,0,1|2,0,0]=4 5542 B14R0.2224 COCCCNC(=O)CCCNC(=O)C 527a_100150723488_100000194741 [0,1,0,0,0,1|2,0,0]=4 5543 B14R0.2224 COCCCNC(=O)CCSCC(=O)N 240690a_100150723488_100000148550 [0,1,0,0,0,1|2,0,0]=4 5544 B14R0.2224 COCCCNC(=O)CCSCC(=O)N 527a_100150723488_100000148550 [0,1,0,0,0,1|2,0,0]=4 5545 B14R0.2224 COCCCNC(=O)CNOCC(=O)O 269956a_100000106656_100000183178 [0,1,0,0,0,1|2,0,0]=4 5546 B14R0.2224 COCCCNC(=O)COCCC(=O)C 34a_100000759926_100000183178 [0,1,0,0,0,1|2,0,0]=4 5547 B14R0.2224 COCCCNC(=O)COCCC(=O)C 7a_100000759926_100000183178 [0,1,0,0,0,1|2,0,0]=4 5548 B14R0.2224 COCCCNC(=O)COCCC(=O)N 34a_100000757172_100000183178 [0,1,0,0,0,1|2,0,0]=4 5549 B14R0.2224 COCCCNC(=O)COCCC(=O)N 7a_100000757172_100000183178 [0,1,0,0,0,1|2,0,0]=4 5550 B14R0.2224 COCCCNC(=O)CSCCC(=O)C 62a_100000183178_100000053229 [0,1,0,0,0,1|2,0,0]=4 5551 B14R0.2224 COCCCNC(=O)CSCCC(=O)N 62a_100000183178_100000744528 [0,1,0,0,0,1|2,0,0]=4 5552 B14R0.2224 COCCCNC(=O)NCCCC(=O)N 273464a_100000739312_100150723488 [0,1,0,0,0,1|2,0,0]=4 5553 B14R0.2224 COCCCNC(=O)NCCCC(=O)N 273464a_100150723488_100000739312 [0,1,0,0,0,1|2,0,0]=4 5554 B14R0.2224 COCCCNC(=O)NCCCC(=O)N 512a_100000739312_100150723488 [0,1,0,0,0,1|2,0,0]=4 5555 B14R0.2224 COCCOCC(=O)CCCCC(=O)C 1458a_100000211095_100000735457 [0,1,0,0,0,1|2,0,0]=4 5556 B14R0.2224 COCCOCC(=O)CCCOC(=O)C 1458a_100000211095_100000042594 [0,1,0,0,0,1|2,0,0]=4 5557 B14R0.2224 COCCOCC(=O)CCCSC(=O)C 1458a_100000211095_100000038929 [0,1,0,0,0,1|2,0,0]=4 5558 B14R0.2224 COCCOCC(=O)CCOCC(=O)N 1458a_100000211095_100000076697 [0,1,0,0,0,1|2,0,0]=4 5559 B14R0.2224 COCCOCC(=O)NCCCC(=O)N 240690a_100000739312_100000211095 [0,1,0,0,0,1|2,0,0]=4 5560 B14R0.2224 COCCOCC(=O)NCCCC(=O)N 527a_100000739312_100000211095 [0,1,0,0,0,1|2,0,0]=4 5561 B14R0.2224 CS(=O)CCCNC(=O)CCCCCO 240690a_200000753449_100102619762 [0,1,0,0,0,1|2,0,0]=4 5562 B14R0.2224 CSCCCNC(=O)CCCNC(=O)C 11a_100000749238_100000194741 [0,1,0,0,0,1|2,0,0]=4 5563 B14R0.2224 CSCCCNC(=O)CCCNC(=O)C 1626a_100000749238_100000194741 [0,1,0,0,0,1|2,0,0]=4 5564 B14R0.2224 CSCCCNC(=O)CCCNC(=O)C 240690a_100000749238_100000194741 [0,1,0,0,0,1|2,0,0]=4 5565 B14R0.2224 CSCCCNC(=O)CCCNC(=O)C 527a_100000749238_100000194741 [0,1,0,0,0,1|2,0,0]=4 5566 B14R0.2224 CSCCCNC(=O)CCSCC(=O)N 11a_100000749238_100000148550 [0,1,0,0,0,1|2,0,0]=4 5567 B14R0.2224 CSCCCNC(=O)CCSCC(=O)N 240690a_100000749238_100000148550 [0,1,0,0,0,1|2,0,0]=4 5568 B14R0.2224 CSCCCNC(=O)CCSCC(=O)N 527a_100000749238_100000148550 [0,1,0,0,0,1|2,0,0]=4 5569 B14R0.2224 CSCCCNC(=O)NCCCC(=O)N 273464a_100000739312_100000749238 [0,1,0,0,0,1|2,0,0]=4 5570 B14R0.2224 CSCCCNC(=O)NCCCC(=O)N 273464a_100000749238_100000739312 [0,1,0,0,0,1|2,0,0]=4 5571 B14R0.2224 CSCCCNC(=O)NCCCC(=O)N 512a_100000739312_100000749238 [0,1,0,0,0,1|2,0,0]=4 5572 B14R0.2224 CSCCCNC(=O)NCCCC(=O)N 512a_100000749238_100000739312 [0,1,0,0,0,1|2,0,0]=4 5573 B14R0.2224 N#CCCCCC(=O)CCSCC(=O)N 1458a_100000148550_100000211819 [0,1,0,0,0,1|1,0,1]=4 5574 B14R0.2224 NC(=NCCCC(=O)CCCCCF)N 1458a_100000034108_100000729378 [0,1,0,0,0,1|2,0,0]=4 5575 B14R0.2224 NC(=NCCCC(=O)CCCCCO)N 1458a_100000034108_100000746330 [0,1,0,0,0,1|2,0,0]=4 5576 B14R0.2224 NC(=O)CCCNC(=O)CCCCCO 240690a_100000739312_100102619762 [0,1,0,0,0,1|1,0,0]=3 5577 B14R0.2224 NC(=O)CCCNC(=O)CCOCCO 240690a_100000739312_100011229844 [0,1,0,0,0,1|2,0,0]=4 5578 B14R0.2224 NC(=O)CCCNC(=O)NCCCCO 273464a_100000739312_100000750430 [0,1,0,0,0,1|2,0,0]=4 5579 B14R0.2224 NC(=O)CCCNC(=O)NCCCCO 273464a_100000750430_100000739312 [0,1,0,0,0,1|2,0,0]=4 5580 B14R0.2224 NC(=O)CCCNC(=O)NCCCCO 512a_100000739312_100000750430 [0,1,0,0,0,1|2,0,0]=4 5581 B14R0.2224 NC(=O)CCCNC(=O)NCCCCO 512a_100000750430_100000739312 [0,1,0,0,0,1|2,0,0]=4 5582 B14R0.2224 NC(=O)COCCC(=O)CCCCCO 1458a_100102619762_100000076697 [0,1,0,0,0,1|1,0,0]=3 5583 B14R0.2224 NC(=O)COCCC(=O)CCOCCO 1458a_100011229844_100000076697 [0,1,0,0,0,1|2,0,0]=4 5584 B14R0.2224 NC(=O)CSCCC(=O)CCCCCF 1458a_100000148550_100000729378 [0,1,0,0,0,1|1,0,0]=3 5585 B14R0.2224 NC(=O)CSCCC(=O)CCCCCO 1458a_100000148550_100000746330 [0,1,0,0,0,1|1,0,0]=3 5586 B14R0.2224 NC(=O)CSCCC(=O)CCOCCO 1458a_100000148550_100011215305 [0,1,0,0,0,1|2,0,0]=4 5587 B14R0.2224 NC(=O)CSCCC(=O)NCCCCO 240690a_100000750430_100000148550 [0,1,0,0,0,1|2,0,0]=4 5588 B14R0.2224 NC(=O)CSCCC(=O)NCCCCO 527a_100000750430_100000148550 [0,1,0,0,0,1|2,0,0]=4 5589 B14R0.2224 NC(=O)NCCNC(=O)CCCCCO 240690a_100020590234_100102619762 [0,1,0,0,0,1|2,0,0]=4 5590 B14R0.2224 O=C(CCCCCO)CCCCB(O)O 1458a_100102619762_200009817182 [0,1,0,0,0,1|1,0,1]=4 5591 B14R0.2370 CCCCCS(=O)(=O)NCCCC(=O)N 270084a_100000739312_100000753860 [0,1,0,0,0,1|2,0,0]=4 5592 B14R0.2370 CCCCCS(=O)(=O)NCCCC(=O)N 274078a_100000739312_100000753860 [0,1,0,0,0,1|2,0,0]=4 5593 B14R0.2430 C=C(C)CCC(=O)CC(=O)CCCCC 1458a_200000688413_200012276598 [0,1,0,0,0,1|2,0,0]=4 5594 B14R0.2430 CC(=O)SCC(C)CC(=O)CCCCO 1458a_100000695505_200000116872 [0,1,0,0,0,1|2,0,0]=4 5595 B14R0.2430 CCCCCC(=O)CC(=O)CCC(=O)N 1458a_100011215257_200012276598 [0,1,0,0,0,1|1,0,0]=3 5596 B14R0.2430 CCCCCC(=O)CC(=O)CC[N+](=O)[O-] 1458a_200000064761_200012276598 [0,1,0,0,0,1|1,0,1]=4 5597 B14R0.2430 CCCCCC(=O)CC(=O)CNC(=O)C 1458a_100000194580_200012276598 [0,1,0,0,0,1|1,0,1]=4 5598 B14R0.2430 CCCCCC(=O)CC(=O)CNC(=O)N 1458a_100000184981_200012276598 [0,1,0,0,0,1|1,0,1]=4 5599 B14R0.2430 CCCCCC(=O)CC(=O)COC(=O)C 1458a_100000183556_200012276598 [0,1,0,0,0,1|1,0,1]=4 5600 B14R0.2430 CCCCCC(=O)CC(=O)CSC(=O)C 1458a_100000049016_200012276598 [0,1,0,0,0,1|1,0,1]=4 5601 B14R0.2430 CCCCCC(=O)CC(C)CSC(=O)C 1458a_100000212188_200000116872 [0,1,0,0,0,1|1,0,0]=3 5602 B14R0.2430 CCCCCC(=O)CN(C)CCC(=O)N 2230a_100000730477_200012276598 [0,1,0,0,0,1|1,0,0]=3 5603 B14R0.2430 CCCCNC(=O)CC(=O)CCC(=O)N 1458a_100011215257_100000182744 [0,1,0,0,0,1|2,0,0]=4 5604 B14R0.2430 CCCCNC(=O)CN(C)CCC(=O)C 269982a_200000213093_100000053229 [0,1,0,0,0,1|2,0,0]=4 5605 B14R0.2430 CCCCNC(=O)CN(C)CCC(=O)N 2230a_100000730477_100000182744 [0,1,0,0,0,1|2,0,0]=4 5606 B14R0.2430 CCCCNC(=O)CN(C)CCC(=O)N 2230a_200000213093_100000744528 [0,1,0,0,0,1|2,0,0]=4 5607 B14R0.2430 CCCCNC(=O)CN(C)CCC(=O)N 269982a_200000213093_100000744528 [0,1,0,0,0,1|2,0,0]=4 5608 B14R0.2430 CCCCOC(=O)CC(=O)CCC(=O)N 1458a_100011215257_100000211628 [0,1,0,0,0,1|2,0,0]=4 5609 B14R0.2430 CCCCOC(=O)CN(C)CCC(=O)N 2230a_100000730477_100000211628 [0,1,0,0,0,1|2,0,0]=4 5610 B14R0.2430 CCCOCC(=O)CC(C)CSC(=O)C 1458a_100000745993_200000116872 [0,1,0,0,0,1|2,0,0]=4 5611 B14R0.2430 CCCSCC(=O)CC(C)CSC(=O)C 1458a_100000217233_200000116872 [0,1,0,0,0,1|2,0,0]=4 5612 B14R0.2430 CCOCCC(=O)CC(C)CSC(=O)C 1458a_100000749530_200000116872 [0,1,0,0,0,1|2,0,0]=4 5613 B14R0.2430 CCSCCC(=O)CC(C)CSC(=O)C 1458a_100000230768_200000116872 [0,1,0,0,0,1|2,0,0]=4 5614 B14R0.2430 COCCCC(=O)CC(C)CSC(=O)C 1458a_100000741012_200000116872 [0,1,0,0,0,1|2,0,0]=4 5615 B14R0.2430 CSCCCC(=O)CC(C)CSC(=O)C 1458a_100000173376_200000116872 [0,1,0,0,0,1|2,0,0]=4 5616 B14R0.2863 C=C(CCC)CC(=O)CCCCC(=O)C 1458a_100000138376_100000735457 [0,1,0,0,0,1|1,0,1]=4 5617 B14R0.2863 C=C(CCC)CC(=O)CCCOC(=O)C 1458a_100000138376_100000042594 [0,1,0,0,0,1|1,0,1]=4 5618 B14R0.2863 C=C(CCC)CC(=O)CCCSC(=O)C 1458a_100000138376_100000038929 [0,1,0,0,0,1|1,0,1]=4 5619 B14R0.2863 C=C(CCC)CC(=O)CCOCC(=O)N 1458a_100000138376_100000076697 [0,1,0,0,0,1|1,0,1]=4 5620 B14R0.2863 C=C(CCC)CC(=O)NCCCC(=O)N 240690a_100000739312_100000138376 [0,1,0,0,0,1|1,0,1]=4 5621 B14R0.2863 C=C(CCC)CC(=O)NCCCC(=O)N 527a_100000739312_100000138376 [0,1,0,0,0,1|1,0,1]=4 5622 B14R0.2863 CCCC(=O)CC(=O)CCCNC(=O)C 1458a_100000194741_100000747444 [0,1,0,0,0,1|1,0,1]=4 5623 B14R0.2863 CCCC(=O)CC(=O)CCSCC(=O)N 1458a_100000148550_100000747444 [0,1,0,0,0,1|1,0,1]=4 5624 B14R0.2863 CCCC(C)CC(=O)CCCCB(O)O 1458a_100000748435_200009817182 [0,1,0,0,0,1|1,0,1]=4 5625 B14R0.2863 CCCC(C)CC(=O)CCCCC(=O)C 1458a_100000748435_100000735457 [0,1,0,0,0,1|1,0,0]=3 5626 B14R0.2863 CCCC(C)CC(=O)CCCN=C(N)N 1458a_100000034108_100011216630 [0,1,0,0,0,1|2,0,0]=4 5627 B14R0.2863 CCCC(C)CC(=O)CCCNC(=O)C 1458a_100000194741_100011216630 [0,1,0,0,0,1|1,0,0]=3 5628 B14R0.2863 CCCC(C)CC(=O)CCCOC(=O)C 1458a_100000748435_100000042594 [0,1,0,0,0,1|1,0,0]=3 5629 B14R0.2863 CCCC(C)CC(=O)CCCOC(=S)C 1458a_100000748435_200135323944 [0,1,0,0,0,1|1,1,0]=4 5630 B14R0.2863 CCCC(C)CC(=O)CCCSC(=O)C 1458a_100000748435_100000038929 [0,1,0,0,0,1|1,0,0]=3 5631 B14R0.2863 CCCC(C)CC(=O)CCOCC(=O)N 1458a_100000748435_100000076697 [0,1,0,0,0,1|1,0,0]=3 5632 B14R0.2863 CCCC(C)CC(=O)CCSCC(=O)N 1458a_100000148550_100011216630 [0,1,0,0,0,1|1,0,0]=3 5633 B14R0.2863 CCCC(C)CC(=O)NCCCC(=O)N 240690a_100000739312_100000748435 [0,1,0,0,0,1|1,0,0]=3 5634 B14R0.2863 CCCC(C)CC(=O)NCCCC(=O)N 527a_100000739312_100000748435 [0,1,0,0,0,1|1,0,0]=3 5635 B14R0.2863 CCCC(C)CC(=O)NCCCS(=O)C 11a_200000753449_100000748435 [0,1,0,0,0,1|2,0,0]=4 5636 B14R0.2863 CCCC(C)CC(=O)NCCCS(=O)C 240690a_200000753449_100000748435 [0,1,0,0,0,1|2,0,0]=4 5637 B14R0.2863 CCCC(C)CC(=O)NCCCS(=O)C 527a_200000753449_100000748435 [0,1,0,0,0,1|2,0,0]=4 5638 B14R0.2863 CCCC(C)CC(=O)NCCNC(=O)C 240690a_100000209853_100000748435 [0,1,0,0,0,1|2,0,0]=4 5639 B14R0.2863 CCCC(C)CC(=O)NCCNC(=O)C 527a_100000209853_100000748435 [0,1,0,0,0,1|2,0,0]=4 5640 B14R0.2863 CCCC(C)CC(=O)NCCNC(=O)N 240690a_100020590234_100000748435 [0,1,0,0,0,1|2,0,0]=4 5641 B14R0.2863 CCCC(C)CC(=O)NCCNC(=O)N 527a_100020590234_100000748435 [0,1,0,0,0,1|2,0,0]=4 5642 B14R0.2863 CCCC(C)CC(=O)NCCOC(=O)C 11a_100000724843_100000748435 [0,1,0,0,0,1|2,0,0]=4 5643 B14R0.2863 CCCC(C)CC(=O)NCCOC(=O)C 240690a_100000724843_100000748435 [0,1,0,0,0,1|2,0,0]=4 5644 B14R0.2863 CCCC(C)CC(=O)NCCOC(=O)C 527a_100000724843_100000748435 [0,1,0,0,0,1|2,0,0]=4 5645 B14R0.2863 CCCC(C)CC(=O)NCCSC(=O)C 11a_100020647217_100000748435 [0,1,0,0,0,1|2,0,0]=4 5646 B14R0.2863 CCCC(C)CC(=O)NCCSC(=O)C 240690a_100020647217_100000748435 [0,1,0,0,0,1|2,0,0]=4 5647 B14R0.2863 CCCC(C)CC(=O)NCCSC(=O)C 527a_100020647217_100000748435 [0,1,0,0,0,1|2,0,0]=4 5648 B14R0.2863 CCCC(C)NC(=O)CCCNC(=O)C 11a_100000741246_100000194741 [0,1,0,0,0,1|2,0,0]=4 5649 B14R0.2863 CCCC(C)NC(=O)CCCNC(=O)C 1626a_100000741246_100000194741 [0,1,0,0,0,1|2,0,0]=4 5650 B14R0.2863 CCCC(C)NC(=O)CCCNC(=O)C 240690a_100000741246_100000194741 [0,1,0,0,0,1|2,0,0]=4 5651 B14R0.2863 CCCC(C)NC(=O)CCCNC(=O)C 527a_100000741246_100000194741 [0,1,0,0,0,1|2,0,0]=4 5652 B14R0.2863 CCCC(C)NC(=O)CCSCC(=O)N 11a_100000741246_100000148550 [0,1,0,0,0,1|2,0,0]=4 5653 B14R0.2863 CCCC(C)NC(=O)CCSCC(=O)N 240690a_100000741246_100000148550 [0,1,0,0,0,1|2,0,0]=4 5654 B14R0.2863 CCCC(C)NC(=O)CCSCC(=O)N 527a_100000741246_100000148550 [0,1,0,0,0,1|2,0,0]=4 5655 B14R0.2863 CCCC(C)NC(=O)NCCCC(=O)N 273464a_100000741246_100000739312 [0,1,0,0,0,1|2,0,0]=4 5656 B14R0.2863 CCCC(C)NC(=O)NCCCC(=O)N 512a_100000739312_100000741246 [0,1,0,0,0,1|2,0,0]=4 5657 B14R0.2863 CCCC(C)NC(=O)NCCCC(=O)N 512a_100000741246_100000739312 [0,1,0,0,0,1|2,0,0]=4 5658 B14R0.2863 CCCS(=O)CC(=O)CCCCC(=O)C 1458a_100011387404_100000735457 [0,1,0,0,0,1|2,0,0]=4 5659 B14R0.2863 CCCS(=O)CC(=O)CCCOC(=O)C 1458a_100011387404_100000042594 [0,1,0,0,0,1|2,0,0]=4 5660 B14R0.2863 CCCS(=O)CC(=O)CCCSC(=O)C 1458a_100011387404_100000038929 [0,1,0,0,0,1|2,0,0]=4 5661 B14R0.2863 CCCS(=O)CC(=O)CCOCC(=O)N 1458a_100011387404_100000076697 [0,1,0,0,0,1|2,0,0]=4 5662 B14R0.2863 CCCS(=O)CC(=O)NCCCC(=O)N 240690a_100000739312_100011387404 [0,1,0,0,0,1|2,0,0]=4 5663 B14R0.2863 CCCS(=O)CC(=O)NCCCC(=O)N 527a_100000739312_100011387404 [0,1,0,0,0,1|2,0,0]=4 5664 B14R0.2863 CCSC(C)CC(=O)CCCCC(=O)C 1458a_200011311441_100000735457 [0,1,0,0,0,1|2,0,0]=4 5665 B14R0.2863 CCSC(C)CC(=O)CCCOC(=O)C 1458a_200011311441_100000042594 [0,1,0,0,0,1|2,0,0]=4 5666 B14R0.2863 CCSC(C)CC(=O)CCCSC(=O)C 1458a_200011311441_100000038929 [0,1,0,0,0,1|2,0,0]=4 5667 B14R0.2863 CCSC(C)CC(=O)CCOCC(=O)N 1458a_200011311441_100000076697 [0,1,0,0,0,1|2,0,0]=4 5668 B14R0.2863 CCSC(C)CC(=O)NCCCC(=O)N 240690a_100000739312_200011311441 [0,1,0,0,0,1|2,0,0]=4 5669 B14R0.2863 CCSC(C)CC(=O)NCCCC(=O)N 527a_100000739312_200011311441 [0,1,0,0,0,1|2,0,0]=4 5670 B14R0.2 C#CCCCCCC(=O)CCCC(=O)C 1458a_100000694772_100011215641 [0,2,0,0,0,0|1,0,0]=3 5671 B14R0.2 C#CCCCCCC(=O)CCCC(=O)N 1458a_100000694772_100102525003 [0,2,0,0,0,0|1,0,0]=3 5672 B14R0.2 C#CCCCCCC(=O)CCCC(C)O 1458a_100000694772_200000718107 [0,2,0,0,0,0|1,0,1]=4 5673 B14R0.2 C#CCCCCCC(=O)CCC[N+](=O)[O-] 1458a_100016109205_100012094781 [0,2,0,0,0,0|1,0,1]=4 5674 B14R0.2 C#CCCCCCC(=O)CCNC(=O)C 1458a_100000183196_100012094781 [0,2,0,0,0,0|2,0,0]=4 5675 B14R0.2 C#CCCCCCC(=O)CCNC(=O)C 1458a_100000694772_100000189650 [0,2,0,0,0,0|2,0,0]=4 5676 B14R0.2 C#CCCCCCC(=O)CCNC(=O)N 1458a_100000181464_100012094781 [0,2,0,0,0,0|2,0,0]=4 5677 B14R0.2 C#CCCCCCC(=O)CCNC(=O)N 1458a_100000694772_200000034859 [0,2,0,0,0,0|2,0,0]=4 5678 B14R0.2 C#CCCCCCC(=O)CCOC(=O)C 1458a_100000694772_100009814007 [0,2,0,0,0,0|2,0,0]=4 5679 B14R0.2 C#CCCCCCC(=O)CCOC(=O)N 1458a_100000694772_200011214921 [0,2,0,0,0,0|2,0,0]=4 5680 B14R0.2 C#CCCCCCC(=O)CCSC(=O)C 1458a_100000048949_100012094781 [0,2,0,0,0,0|2,0,0]=4 5681 B14R0.2 C#CCCCCCC(=O)COCC(=O)N 1458a_100011219004_100012094781 [0,2,0,0,0,0|2,0,0]=4 5682 B14R0.2 C#CCCCCCC(=O)NCCC(=O)N 11a_100000740010_100000694772 [0,2,0,0,0,0|2,0,0]=4 5683 B14R0.2 C#CCCCCCC(=O)NCCC(=O)N 240690a_100000740010_100000694772 [0,2,0,0,0,0|2,0,0]=4 5684 B14R0.2 C#CCCCCCC(=O)NCCC(=O)N 527a_100000740010_100000694772 [0,2,0,0,0,0|2,0,0]=4 5685 B14R0.2 C#CCCCCCN(C)CCCC(=O)O 269956a_100000719178_100012094781 [0,2,0,0,0,0|2,0,0]=4 5686 B14R0.2 C=CCCCCCC(=O)CCCC(=O)C 1458a_100011934241_100011215641 [0,2,0,0,0,0|1,0,0]=3 5687 B14R0.2 C=CCCCCCC(=O)CCCC(=O)N 1458a_100011934241_100102525003 [0,2,0,0,0,0|1,0,0]=3 5688 B14R0.2 C=CCCCCCC(=O)CCCC(C)O 1458a_100011934241_200000718107 [0,2,0,0,0,0|1,0,1]=4 5689 B14R0.2 C=CCCCCCC(=O)CCC[N+](=O)[O-] 1458a_100016109205_100000700193 [0,2,0,0,0,0|1,0,1]=4 5690 B14R0.2 C=CCCCCCC(=O)CCNC(=O)C 1458a_100000183196_100000700193 [0,2,0,0,0,0|2,0,0]=4 5691 B14R0.2 C=CCCCCCC(=O)CCNC(=O)C 1458a_100011934241_100000189650 [0,2,0,0,0,0|2,0,0]=4 5692 B14R0.2 C=CCCCCCC(=O)CCNC(=O)N 1458a_100000181464_100000700193 [0,2,0,0,0,0|2,0,0]=4 5693 B14R0.2 C=CCCCCCC(=O)CCNC(=O)N 1458a_100011934241_200000034859 [0,2,0,0,0,0|2,0,0]=4 5694 B14R0.2 C=CCCCCCC(=O)CCOC(=O)C 1458a_100011934241_100009814007 [0,2,0,0,0,0|2,0,0]=4 5695 B14R0.2 C=CCCCCCC(=O)CCOC(=O)N 1458a_100011934241_200011214921 [0,2,0,0,0,0|2,0,0]=4 5696 B14R0.2 C=CCCCCCC(=O)CCSC(=O)C 1458a_100000048949_100000700193 [0,2,0,0,0,0|2,0,0]=4 5697 B14R0.2 C=CCCCCCC(=O)COCC(=O)N 1458a_100011219004_100000700193 [0,2,0,0,0,0|2,0,0]=4 5698 B14R0.2 C=CCCCCCC(=O)NCCC(=O)N 11a_100000740010_100011934241 [0,2,0,0,0,0|2,0,0]=4 5699 B14R0.2 C=CCCCCCC(=O)NCCC(=O)N 240690a_100000740010_100011934241 [0,2,0,0,0,0|2,0,0]=4 5700 B14R0.2 C=CCCCCCC(=O)NCCC(=O)N 527a_100000740010_100011934241 [0,2,0,0,0,0|2,0,0]=4 5701 B14R0.2 C=CCCCCCN(C)CCCC(=O)O 269956a_100000719178_100000700193 [0,2,0,0,0,0|2,0,0]=4 5702 B14R0.2 CC(=O)CCCC(=O)CCCCCCO 1458a_100011996774_100011215641 [0,2,0,0,0,0|1,0,0]=3 5703 B14R0.2 CC(=O)CCCC(=O)CCCCN=[N+]=[N-] 1458a_100000070148_100011215641 [0,2,0,0,0,0|2,0,0]=4 5704 B14R0.2 CC(=O)NCCC(=O)CCCCCC#N 1458a_100000183196_100009813376 [0,2,0,0,0,0|2,0,0]=4 5705 B14R0.2 CC(=O)NCCC(=O)CCCCCCF 1458a_100000183196_100015922095 [0,2,0,0,0,0|2,0,0]=4 5706 B14R0.2 CC(=O)NCCC(=O)CCCCCCO 1458a_100000183196_100000766143 [0,2,0,0,0,0|2,0,0]=4 5707 B14R0.2 CC(=O)NCCC(=O)CCCCCCO 1458a_100011996774_100000189650 [0,2,0,0,0,0|2,0,0]=4 5708 B14R0.2 CC(=O)NCCC(=O)NCCCCCO 240690a_100000762737_100000183196 [0,2,0,0,0,0|2,0,0]=4 5709 B14R0.2 CC(=O)OCCC(=O)CCCCCCO 1458a_100011996774_100009814007 [0,2,0,0,0,0|2,0,0]=4 5710 B14R0.2 CC(=O)SCCC(=O)CCCCCC#N 1458a_100000048949_100009813376 [0,2,0,0,0,0|2,0,0]=4 5711 B14R0.2 CC(=O)SCCC(=O)CCCCCCF 1458a_100000048949_100015922095 [0,2,0,0,0,0|2,0,0]=4 5712 B14R0.2 CC(=O)SCCC(=O)CCCCCCO 1458a_100000048949_100000766143 [0,2,0,0,0,0|2,0,0]=4 5713 B14R0.2 CC(=O)SCCC(=O)NCCCCCO 240690a_100000762737_100000048949 [0,2,0,0,0,0|2,0,0]=4 5714 B14R0.2 CC(O)CCCC(=O)CCCCCCO 1458a_100011996774_200000718107 [0,2,0,0,0,0|1,0,1]=4 5715 B14R0.2 CCCC/C=C/CC(=O)CCCC(=O)C 1458a_200016282684_100011215641 [0,2,0,0,0,0|1,0,0]=3 5716 B14R0.2 CCCC/C=C/CC(=O)CCCC(=O)N 1458a_200016282684_100102525003 [0,2,0,0,0,0|1,0,0]=3 5717 B14R0.2 CCCC/C=C/CC(=O)CCCC(C)O 1458a_200016282684_200000718107 [0,2,0,0,0,0|1,0,1]=4 5718 B14R0.2 CCCC/C=C/CC(=O)CCNC(=O)C 1458a_200016282684_100000189650 [0,2,0,0,0,0|2,0,0]=4 5719 B14R0.2 CCCC/C=C/CC(=O)CCNC(=O)N 1458a_200016282684_200000034859 [0,2,0,0,0,0|2,0,0]=4 5720 B14R0.2 CCCC/C=C/CC(=O)CCOC(=O)C 1458a_200016282684_100009814007 [0,2,0,0,0,0|2,0,0]=4 5721 B14R0.2 CCCC/C=C/CC(=O)CCOC(=O)N 1458a_200016282684_200011214921 [0,2,0,0,0,0|2,0,0]=4 5722 B14R0.2 CCCC/C=C/CC(=O)NCCC(=O)N 11a_100000740010_200016282684 [0,2,0,0,0,0|2,0,0]=4 5723 B14R0.2 CCCC/C=C/CC(=O)NCCC(=O)N 240690a_100000740010_200016282684 [0,2,0,0,0,0|2,0,0]=4 5724 B14R0.2 CCCC/C=C/CC(=O)NCCC(=O)N 527a_100000740010_200016282684 [0,2,0,0,0,0|2,0,0]=4 5725 B14R0.2 CCCCCC#CC(=O)CCCC(=O)C 1458a_100011215388_100011215641 [0,2,0,0,0,0|1,0,0]=3 5726 B14R0.2 CCCCCC#CC(=O)CCCC(=O)N 1458a_100011215388_100102525003 [0,2,0,0,0,0|1,0,0]=3 5727 B14R0.2 CCCCCC#CC(=O)CCCC(C)O 1458a_100011215388_200000718107 [0,2,0,0,0,0|1,0,1]=4 5728 B14R0.2 CCCCCC#CC(=O)CCNC(=O)C 1458a_100011215388_100000189650 [0,2,0,0,0,0|2,0,0]=4 5729 B14R0.2 CCCCCC#CC(=O)CCNC(=O)N 1458a_100011215388_200000034859 [0,2,0,0,0,0|2,0,0]=4 5730 B14R0.2 CCCCCC#CC(=O)CCOC(=O)C 1458a_100011215388_100009814007 [0,2,0,0,0,0|2,0,0]=4 5731 B14R0.2 CCCCCC#CC(=O)CCOC(=O)N 1458a_100011215388_200011214921 [0,2,0,0,0,0|2,0,0]=4 5732 B14R0.2 CCCCCC#CC(=O)NCCC(=O)N 240690a_100000740010_100011215388 [0,2,0,0,0,0|2,0,0]=4 5733 B14R0.2 CCCCCC=CC(=O)CCCC(=O)C 1458a_100016263427_100011215641 [0,2,0,0,0,0|1,0,0]=3 5734 B14R0.2 CCCCCC=CC(=O)CCCC(=O)N 1458a_100016263427_100102525003 [0,2,0,0,0,0|1,0,0]=3 5735 B14R0.2 CCCCCC=CC(=O)CCCC(C)O 1458a_100016263427_200000718107 [0,2,0,0,0,0|1,0,1]=4 5736 B14R0.2 CCCCCC=CC(=O)CCNC(=O)C 1458a_100016263427_100000189650 [0,2,0,0,0,0|2,0,0]=4 5737 B14R0.2 CCCCCC=CC(=O)CCNC(=O)N 1458a_100016263427_200000034859 [0,2,0,0,0,0|2,0,0]=4 5738 B14R0.2 CCCCCC=CC(=O)CCOC(=O)C 1458a_100016263427_100009814007 [0,2,0,0,0,0|2,0,0]=4 5739 B14R0.2 CCCCCC=CC(=O)CCOC(=O)N 1458a_100016263427_200011214921 [0,2,0,0,0,0|2,0,0]=4 5740 B14R0.2 CCCCCC=CC(=O)NCCC(=O)N 11a_100000740010_100016263427 [0,2,0,0,0,0|2,0,0]=4 5741 B14R0.2 CCCCCC=CC(=O)NCCC(=O)N 240690a_100000740010_100016263427 [0,2,0,0,0,0|2,0,0]=4 5742 B14R0.2 CCCCCCCC(=O)CCCC(=O)C 1458a_100000211969_100011215641 [0,2,0,0,0,0|1,0,0]=3 5743 B14R0.2 CCCCCCCC(=O)CCCC(=O)N 1458a_100000211969_100102525003 [0,2,0,0,0,0|1,0,0]=3 5744 B14R0.2 CCCCCCCC(=O)CCCC(C)O 1458a_100000211969_200000718107 [0,2,0,0,0,0|1,0,1]=4 5745 B14R0.2 CCCCCCCC(=O)CCC[N+](=O)[O-] 1458a_100016109205_100000210614 [0,2,0,0,0,0|1,0,1]=4 5746 B14R0.2 CCCCCCCC(=O)CCNC(=O)C 1458a_100000183196_100000210614 [0,2,0,0,0,0|2,0,0]=4 5747 B14R0.2 CCCCCCCC(=O)CCNC(=O)C 1458a_100000211969_100000189650 [0,2,0,0,0,0|2,0,0]=4 5748 B14R0.2 CCCCCCCC(=O)CCNC(=O)N 1458a_100000181464_100000210614 [0,2,0,0,0,0|2,0,0]=4 5749 B14R0.2 CCCCCCCC(=O)CCNC(=O)N 1458a_100000211969_200000034859 [0,2,0,0,0,0|2,0,0]=4 5750 B14R0.2 CCCCCCCC(=O)CCOC(=O)C 1458a_100000211969_100009814007 [0,2,0,0,0,0|2,0,0]=4 5751 B14R0.2 CCCCCCCC(=O)CCOC(=O)N 1458a_100000211969_200011214921 [0,2,0,0,0,0|2,0,0]=4 5752 B14R0.2 CCCCCCCC(=O)CCSC(=O)C 1458a_100000048949_100000210614 [0,2,0,0,0,0|2,0,0]=4 5753 B14R0.2 CCCCCCCC(=O)COCC(=O)N 1458a_100011219004_100000210614 [0,2,0,0,0,0|2,0,0]=4 5754 B14R0.2 CCCCCCCC(=O)NCCC(=O)N 11a_100000740010_100000211969 [0,2,0,0,0,0|2,0,0]=4 5755 B14R0.2 CCCCCCCC(=O)NCCC(=O)N 240690a_100000740010_100000211969 [0,2,0,0,0,0|2,0,0]=4 5756 B14R0.2 CCCCCCCC(=O)NCCC(=O)N 527a_100000740010_100000211969 [0,2,0,0,0,0|2,0,0]=4 5757 B14R0.2 CCCCCCCN(C)CCCC(=O)O 269956a_100000719178_100000210614 [0,2,0,0,0,0|2,0,0]=4 5758 B14R0.2 CCCCCCNC(=O)CCCC(C)O 1626a_100000210581_100000761597 [0,2,0,0,0,0|1,0,1]=4 5759 B14R0.2 CCCCCCNC(=O)CCCC(C)O 527a_100000210581_100000761597 [0,2,0,0,0,0|1,0,1]=4 5760 B14R0.2 CCCCCCNC(=O)CCC[N+](=O)[O-] 11a_100000210581_100016109205 [0,2,0,0,0,0|1,0,1]=4 5761 B14R0.2 CCCCCCNC(=O)CCC[N+](=O)[O-] 1626a_100000210581_100016109205 [0,2,0,0,0,0|1,0,1]=4 5762 B14R0.2 CCCCCCNC(=O)CCC[N+](=O)[O-] 240690a_100000210581_100016109205 [0,2,0,0,0,0|1,0,1]=4 5763 B14R0.2 CCCCCCNC(=O)CCC[N+](=O)[O-] 527a_100000210581_100016109205 [0,2,0,0,0,0|1,0,1]=4 5764 B14R0.2 CCCCCCNC(=O)CCNC(=O)C 11a_100000210581_100000183196 [0,2,0,0,0,0|2,0,0]=4 5765 B14R0.2 CCCCCCNC(=O)CCNC(=O)C 1626a_100000210581_100000183196 [0,2,0,0,0,0|2,0,0]=4 5766 B14R0.2 CCCCCCNC(=O)CCNC(=O)C 240690a_100000210581_100000183196 [0,2,0,0,0,0|2,0,0]=4 5767 B14R0.2 CCCCCCNC(=O)CCNC(=O)C 527a_100000210581_100000183196 [0,2,0,0,0,0|2,0,0]=4 5768 B14R0.2 CCCCCCNC(=O)CCNC(=O)N 240690a_100000210581_100000181464 [0,2,0,0,0,0|2,0,0]=4 5769 B14R0.2 CCCCCCNC(=O)CCNC(=O)N 527a_100000210581_100000181464 [0,2,0,0,0,0|2,0,0]=4 5770 B14R0.2 CCCCCCNC(=O)CCSC(=O)C 1626a_100000210581_100000048949 [0,2,0,0,0,0|2,0,0]=4 5771 B14R0.2 CCCCCCNC(=O)CCSC(=O)C 240690a_100000210581_100000048949 [0,2,0,0,0,0|2,0,0]=4 5772 B14R0.2 CCCCCCNC(=O)CNCC(=O)N 2230a_100000711301_100000230325 [0,2,0,0,0,0|2,0,0]=4 5773 B14R0.2 CCCCCCNC(=O)CNCC(=O)O 269956a_100016091260_100000230325 [0,2,0,0,0,0|1,0,0]=3 5774 B14R0.2 CCCCCCNC(=O)COCC(=O)C 34a_100000211253_100000230325 [0,2,0,0,0,0|2,0,0]=4 5775 B14R0.2 CCCCCCNC(=O)COCC(=O)N 1626a_100000210581_100011219004 [0,2,0,0,0,0|2,0,0]=4 5776 B14R0.2 CCCCCCNC(=O)COCC(=O)N 240690a_100000210581_100011219004 [0,2,0,0,0,0|2,0,0]=4 5777 B14R0.2 CCCCCCNC(=O)COCC(=O)N 527a_100000210581_100011219004 [0,2,0,0,0,0|2,0,0]=4 5778 B14R0.2 CCCCCCNC(=O)CSCC(=O)N 11a_100000210581_100000150265 [0,2,0,0,0,0|2,0,0]=4 5779 B14R0.2 CCCCCCNC(=O)CSCC(=O)N 240690a_100000210581_100000150265 [0,2,0,0,0,0|2,0,0]=4 5780 B14R0.2 CCCCCCNC(=O)CSCC(=O)N 527a_100000210581_100000150265 [0,2,0,0,0,0|2,0,0]=4 5781 B14R0.2 CCCCCCNC(=O)CSCC(=O)N 62a_100000230325_100000747473 [0,2,0,0,0,0|2,0,0]=4 5782 B14R0.2 CCCCCCNC(=O)CSCC(=O)[O-] 62a_100000230325_100020667443 [0,2,0,0,0,0|1,0,1]=4 5783 B14R0.2 CCCCCCNC(=O)NCCC(=O)N 2708a_100000210581_100000740010 [0,2,0,0,0,0|2,0,0]=4 5784 B14R0.2 CCCCCCNC(=O)NCCC(=O)N 273464a_100000210581_100000740010 [0,2,0,0,0,0|2,0,0]=4 5785 B14R0.2 CCCCCCNC(=O)NCCC(=O)N 273464a_100000740010_100000210581 [0,2,0,0,0,0|2,0,0]=4 5786 B14R0.2 CCCCCCNC(=O)NCCC(=O)N 512a_100000210581_100000740010 [0,2,0,0,0,0|2,0,0]=4 5787 B14R0.2 CCCCCNCC(=O)NCCC(=O)N 2230a_200138414118_100000210326 [0,2,0,0,0,0|2,0,0]=4 5788 B14R0.2 CCCCCNNC(=O)CCCC(C)O 22a_100000694160_100000761597 [0,2,0,0,0,0|1,0,1]=4 5789 B14R0.2 CCCCCNNC(=O)CCC[N+](=O)[O-] 22a_100000694160_100016109205 [0,2,0,0,0,0|1,0,1]=4 5790 B14R0.2 CCCCCNNC(=O)CCNC(=O)C 22a_100000694160_100000183196 [0,2,0,0,0,0|2,0,0]=4 5791 B14R0.2 CCCCCNNC(=O)CCNC(=O)N 22a_100000694160_100000181464 [0,2,0,0,0,0|2,0,0]=4 5792 B14R0.2 CCCCCNNC(=O)COCC(=O)N 22a_100000694160_100011219004 [0,2,0,0,0,0|2,0,0]=4 5793 B14R0.2 CCCCCNNC(=O)CSCC(=O)N 22a_100000694160_100000150265 [0,2,0,0,0,0|2,0,0]=4 5794 B14R0.2 CCCCCNNC(=O)NCCC(=O)N 273464a_100000740010_100000694160 [0,2,0,0,0,0|2,0,0]=4 5795 B14R0.2 CCCCCNNC(=O)NCCC(=O)N 512a_100000694160_100000740010 [0,2,0,0,0,0|2,0,0]=4 5796 B14R0.2 CCCCOCCC(=O)CCC[N+](=O)[O-] 1458a_100016109205_100000743108 [0,2,0,0,0,0|1,0,1]=4 5797 B14R0.2 CCCCOCCC(=O)CCNC(=O)C 1458a_100000183196_100000743108 [0,2,0,0,0,0|2,0,0]=4 5798 B14R0.2 CCCCOCCC(=O)CCNC(=O)N 1458a_100000181464_100000743108 [0,2,0,0,0,0|2,0,0]=4 5799 B14R0.2 CCCCOCCC(=O)CCSC(=O)C 1458a_100000048949_100000743108 [0,2,0,0,0,0|2,0,0]=4 5800 B14R0.2 CCCCOCCC(=O)COCC(=O)N 1458a_100011219004_100000743108 [0,2,0,0,0,0|2,0,0]=4 5801 B14R0.2 CCCCOCCN(C)CCCC(=O)O 269956a_100000719178_100000743108 [0,2,0,0,0,0|2,0,0]=4 5802 B14R0.2 CCCOCCNC(=O)CCCC(C)O 1626a_100161115042_100000761597 [0,2,0,0,0,0|1,0,1]=4 5803 B14R0.2 CCCOCCNC(=O)CCCC(C)O 527a_100161115042_100000761597 [0,2,0,0,0,0|1,0,1]=4 5804 B14R0.2 CCCOCCNC(=O)CCC[N+](=O)[O-] 1626a_100161115042_100016109205 [0,2,0,0,0,0|1,0,1]=4 5805 B14R0.2 CCCOCCNC(=O)CCC[N+](=O)[O-] 240690a_100161115042_100016109205 [0,2,0,0,0,0|1,0,1]=4 5806 B14R0.2 CCCOCCNC(=O)CCC[N+](=O)[O-] 527a_100161115042_100016109205 [0,2,0,0,0,0|1,0,1]=4 5807 B14R0.2 CCCOCCNC(=O)CCNC(=O)C 1626a_100161115042_100000183196 [0,2,0,0,0,0|2,0,0]=4 5808 B14R0.2 CCCOCCNC(=O)CCNC(=O)C 240690a_100161115042_100000183196 [0,2,0,0,0,0|2,0,0]=4 5809 B14R0.2 CCCOCCNC(=O)CCNC(=O)C 527a_100161115042_100000183196 [0,2,0,0,0,0|2,0,0]=4 5810 B14R0.2 CCCOCCNC(=O)CCNC(=O)N 240690a_100161115042_100000181464 [0,2,0,0,0,0|2,0,0]=4 5811 B14R0.2 CCCOCCNC(=O)CCNC(=O)N 527a_100161115042_100000181464 [0,2,0,0,0,0|2,0,0]=4 5812 B14R0.2 CCCOCCNC(=O)CCSC(=O)C 1626a_100161115042_100000048949 [0,2,0,0,0,0|2,0,0]=4 5813 B14R0.2 CCCOCCNC(=O)CCSC(=O)C 240690a_100161115042_100000048949 [0,2,0,0,0,0|2,0,0]=4 5814 B14R0.2 CCCOCCNC(=O)COCC(=O)N 1626a_100161115042_100011219004 [0,2,0,0,0,0|2,0,0]=4 5815 B14R0.2 CCCOCCNC(=O)COCC(=O)N 240690a_100161115042_100011219004 [0,2,0,0,0,0|2,0,0]=4 5816 B14R0.2 CCCOCCNC(=O)COCC(=O)N 527a_100161115042_100011219004 [0,2,0,0,0,0|2,0,0]=4 5817 B14R0.2 CCCOCCNC(=O)CSCC(=O)N 240690a_100161115042_100000150265 [0,2,0,0,0,0|2,0,0]=4 5818 B14R0.2 CCCOCCNC(=O)CSCC(=O)N 527a_100161115042_100000150265 [0,2,0,0,0,0|2,0,0]=4 5819 B14R0.2 CCCOCCNC(=O)NCCC(=O)N 2708a_100161115042_100000740010 [0,2,0,0,0,0|2,0,0]=4 5820 B14R0.2 CCCOCCNC(=O)NCCC(=O)N 273464a_100000740010_100161115042 [0,2,0,0,0,0|2,0,0]=4 5821 B14R0.2 CCCOCCNC(=O)NCCC(=O)N 273464a_100161115042_100000740010 [0,2,0,0,0,0|2,0,0]=4 5822 B14R0.2 CCCOCCNC(=O)NCCC(=O)N 512a_100161115042_100000740010 [0,2,0,0,0,0|2,0,0]=4 5823 B14R0.2 CCCSCCNC(=O)CCCC(C)O 527a_100020603323_100000761597 [0,2,0,0,0,0|1,0,1]=4 5824 B14R0.2 CCCSCCNC(=O)CCC[N+](=O)[O-] 11a_100020603323_100016109205 [0,2,0,0,0,0|1,0,1]=4 5825 B14R0.2 CCCSCCNC(=O)CCC[N+](=O)[O-] 240690a_100020603323_100016109205 [0,2,0,0,0,0|1,0,1]=4 5826 B14R0.2 CCCSCCNC(=O)CCC[N+](=O)[O-] 527a_100020603323_100016109205 [0,2,0,0,0,0|1,0,1]=4 5827 B14R0.2 CCCSCCNC(=O)CCNC(=O)C 11a_100020603323_100000183196 [0,2,0,0,0,0|2,0,0]=4 5828 B14R0.2 CCCSCCNC(=O)CCNC(=O)C 240690a_100020603323_100000183196 [0,2,0,0,0,0|2,0,0]=4 5829 B14R0.2 CCCSCCNC(=O)CCNC(=O)C 527a_100020603323_100000183196 [0,2,0,0,0,0|2,0,0]=4 5830 B14R0.2 CCCSCCNC(=O)CCNC(=O)N 240690a_100020603323_100000181464 [0,2,0,0,0,0|2,0,0]=4 5831 B14R0.2 CCCSCCNC(=O)CCNC(=O)N 527a_100020603323_100000181464 [0,2,0,0,0,0|2,0,0]=4 5832 B14R0.2 CCCSCCNC(=O)CCSC(=O)C 240690a_100020603323_100000048949 [0,2,0,0,0,0|2,0,0]=4 5833 B14R0.2 CCCSCCNC(=O)COCC(=O)N 240690a_100020603323_100011219004 [0,2,0,0,0,0|2,0,0]=4 5834 B14R0.2 CCCSCCNC(=O)COCC(=O)N 527a_100020603323_100011219004 [0,2,0,0,0,0|2,0,0]=4 5835 B14R0.2 CCCSCCNC(=O)CSCC(=O)N 11a_100020603323_100000150265 [0,2,0,0,0,0|2,0,0]=4 5836 B14R0.2 CCCSCCNC(=O)CSCC(=O)N 240690a_100020603323_100000150265 [0,2,0,0,0,0|2,0,0]=4 5837 B14R0.2 CCCSCCNC(=O)CSCC(=O)N 527a_100020603323_100000150265 [0,2,0,0,0,0|2,0,0]=4 5838 B14R0.2 CCCSCCNC(=O)NCCC(=O)N 2708a_100020603323_100000740010 [0,2,0,0,0,0|2,0,0]=4 5839 B14R0.2 CCCSCCNC(=O)NCCC(=O)N 273464a_100000740010_100020603323 [0,2,0,0,0,0|2,0,0]=4 5840 B14R0.2 CCCSCCNC(=O)NCCC(=O)N 273464a_100020603323_100000740010 [0,2,0,0,0,0|2,0,0]=4 5841 B14R0.2 CCCSCCNC(=O)NCCC(=O)N 512a_100020603323_100000740010 [0,2,0,0,0,0|2,0,0]=4 5842 B14R0.2 CCOCCCNC(=O)CCCC(C)O 1626a_100000210961_100000761597 [0,2,0,0,0,0|1,0,1]=4 5843 B14R0.2 CCOCCCNC(=O)CCCC(C)O 527a_100000210961_100000761597 [0,2,0,0,0,0|1,0,1]=4 5844 B14R0.2 CCOCCCNC(=O)CCC[N+](=O)[O-] 11a_100000210961_100016109205 [0,2,0,0,0,0|1,0,1]=4 5845 B14R0.2 CCOCCCNC(=O)CCC[N+](=O)[O-] 1626a_100000210961_100016109205 [0,2,0,0,0,0|1,0,1]=4 5846 B14R0.2 CCOCCCNC(=O)CCC[N+](=O)[O-] 240690a_100000210961_100016109205 [0,2,0,0,0,0|1,0,1]=4 5847 B14R0.2 CCOCCCNC(=O)CCC[N+](=O)[O-] 527a_100000210961_100016109205 [0,2,0,0,0,0|1,0,1]=4 5848 B14R0.2 CCOCCCNC(=O)CCNC(=O)C 11a_100000210961_100000183196 [0,2,0,0,0,0|2,0,0]=4 5849 B14R0.2 CCOCCCNC(=O)CCNC(=O)C 1626a_100000210961_100000183196 [0,2,0,0,0,0|2,0,0]=4 5850 B14R0.2 CCOCCCNC(=O)CCNC(=O)C 240690a_100000210961_100000183196 [0,2,0,0,0,0|2,0,0]=4 5851 B14R0.2 CCOCCCNC(=O)CCNC(=O)C 527a_100000210961_100000183196 [0,2,0,0,0,0|2,0,0]=4 5852 B14R0.2 CCOCCCNC(=O)CCNC(=O)N 240690a_100000210961_100000181464 [0,2,0,0,0,0|2,0,0]=4 5853 B14R0.2 CCOCCCNC(=O)CCNC(=O)N 527a_100000210961_100000181464 [0,2,0,0,0,0|2,0,0]=4 5854 B14R0.2 CCOCCCNC(=O)CCSC(=O)C 1626a_100000210961_100000048949 [0,2,0,0,0,0|2,0,0]=4 5855 B14R0.2 CCOCCCNC(=O)CCSC(=O)C 240690a_100000210961_100000048949 [0,2,0,0,0,0|2,0,0]=4 5856 B14R0.2 CCOCCCNC(=O)COCC(=O)N 1626a_100000210961_100011219004 [0,2,0,0,0,0|2,0,0]=4 5857 B14R0.2 CCOCCCNC(=O)COCC(=O)N 240690a_100000210961_100011219004 [0,2,0,0,0,0|2,0,0]=4 5858 B14R0.2 CCOCCCNC(=O)COCC(=O)N 527a_100000210961_100011219004 [0,2,0,0,0,0|2,0,0]=4 5859 B14R0.2 CCOCCCNC(=O)CSCC(=O)N 11a_100000210961_100000150265 [0,2,0,0,0,0|2,0,0]=4 5860 B14R0.2 CCOCCCNC(=O)CSCC(=O)N 240690a_100000210961_100000150265 [0,2,0,0,0,0|2,0,0]=4 5861 B14R0.2 CCOCCCNC(=O)CSCC(=O)N 527a_100000210961_100000150265 [0,2,0,0,0,0|2,0,0]=4 5862 B14R0.2 CCOCCCNC(=O)NCCC(=O)N 2708a_100000210961_100000740010 [0,2,0,0,0,0|2,0,0]=4 5863 B14R0.2 CCOCCCNC(=O)NCCC(=O)N 273464a_100000210961_100000740010 [0,2,0,0,0,0|2,0,0]=4 5864 B14R0.2 CCOCCCNC(=O)NCCC(=O)N 273464a_100000740010_100000210961 [0,2,0,0,0,0|2,0,0]=4 5865 B14R0.2 CCOCCCNC(=O)NCCC(=O)N 512a_100000210961_100000740010 [0,2,0,0,0,0|2,0,0]=4 5866 B14R0.2 CCOCCNCC(=O)NCCC(=O)N 2230a_200138414118_100011215890 [0,2,0,0,0,0|2,0,0]=4 5867 B14R0.2 CCSCCNCC(=O)NCCC(=O)N 2230a_200138414118_100000757381 [0,2,0,0,0,0|2,0,0]=4 5868 B14R0.2 CN(CCCCCC#N)CCCC(=O)O 269956a_100000719178_100009813376 [0,2,0,0,0,0|2,0,0]=4 5869 B14R0.2 CN(CCCCCC=O)CCCC(=O)O 269956a_100000719178_100000139337 [0,2,0,0,0,0|2,0,0]=4 5870 B14R0.2 CN(CCCCCCF)CCCC(=O)O 269956a_100000719178_100015922095 [0,2,0,0,0,0|2,0,0]=4 5871 B14R0.2 CN(CCCCCCO)CCCC(=O)O 269956a_100000719178_100000766143 [0,2,0,0,0,0|2,0,0]=4 5872 B14R0.2 COCCCCCC(=O)CCCC(=O)C 1458a_100011935119_100011215641 [0,2,0,0,0,0|1,0,0]=3 5873 B14R0.2 COCCCCCC(=O)CCCC(=O)N 1458a_100011935119_100102525003 [0,2,0,0,0,0|1,0,0]=3 5874 B14R0.2 COCCCCCC(=O)CCCC(C)O 1458a_100011935119_200000718107 [0,2,0,0,0,0|1,0,1]=4 5875 B14R0.2 COCCCCCC(=O)CCNC(=O)C 1458a_100011935119_100000189650 [0,2,0,0,0,0|2,0,0]=4 5876 B14R0.2 COCCCCCC(=O)CCNC(=O)N 1458a_100011935119_200000034859 [0,2,0,0,0,0|2,0,0]=4 5877 B14R0.2 COCCCCCC(=O)CCOC(=O)C 1458a_100011935119_100009814007 [0,2,0,0,0,0|2,0,0]=4 5878 B14R0.2 COCCCCCC(=O)CCOC(=O)N 1458a_100011935119_200011214921 [0,2,0,0,0,0|2,0,0]=4 5879 B14R0.2 COCCCCCC(=O)NCCC(=O)N 11a_100000740010_100011935119 [0,2,0,0,0,0|2,0,0]=4 5880 B14R0.2 COCCCCCC(=O)NCCC(=O)N 240690a_100000740010_100011935119 [0,2,0,0,0,0|2,0,0]=4 5881 B14R0.2 COCCCCCC(=O)NCCC(=O)N 527a_100000740010_100011935119 [0,2,0,0,0,0|2,0,0]=4 5882 B14R0.2 COCCCNCC(=O)NCCC(=O)N 2230a_200138414118_100000740836 [0,2,0,0,0,0|2,0,0]=4 5883 B14R0.2 COCCOCCC(=O)CCCC(=O)C 1458a_100000745395_100011215641 [0,2,0,0,0,0|1,0,0]=3 5884 B14R0.2 COCCOCCC(=O)CCCC(=O)N 1458a_100000745395_100102525003 [0,2,0,0,0,0|1,0,0]=3 5885 B14R0.2 COCCOCCC(=O)CCCC(C)O 1458a_100000745395_200000718107 [0,2,0,0,0,0|1,0,1]=4 5886 B14R0.2 COCCOCCC(=O)CCC[N+](=O)[O-] 1458a_100016109205_100000695917 [0,2,0,0,0,0|1,0,1]=4 5887 B14R0.2 COCCOCCC(=O)CCNC(=O)C 1458a_100000183196_100000695917 [0,2,0,0,0,0|2,0,0]=4 5888 B14R0.2 COCCOCCC(=O)CCNC(=O)C 1458a_100000745395_100000189650 [0,2,0,0,0,0|2,0,0]=4 5889 B14R0.2 COCCOCCC(=O)CCNC(=O)N 1458a_100000181464_100000695917 [0,2,0,0,0,0|2,0,0]=4 5890 B14R0.2 COCCOCCC(=O)CCNC(=O)N 1458a_100000745395_200000034859 [0,2,0,0,0,0|2,0,0]=4 5891 B14R0.2 COCCOCCC(=O)CCOC(=O)C 1458a_100000745395_100009814007 [0,2,0,0,0,0|2,0,0]=4 5892 B14R0.2 COCCOCCC(=O)CCOC(=O)N 1458a_100000745395_200011214921 [0,2,0,0,0,0|2,0,0]=4 5893 B14R0.2 COCCOCCC(=O)CCSC(=O)C 1458a_100000048949_100000695917 [0,2,0,0,0,0|2,0,0]=4 5894 B14R0.2 COCCOCCC(=O)COCC(=O)N 1458a_100011219004_100000695917 [0,2,0,0,0,0|2,0,0]=4 5895 B14R0.2 COCCOCCC(=O)NCCC(=O)N 11a_100000740010_100000745395 [0,2,0,0,0,0|2,0,0]=4 5896 B14R0.2 COCCOCCC(=O)NCCC(=O)N 240690a_100000740010_100000745395 [0,2,0,0,0,0|2,0,0]=4 5897 B14R0.2 COCCOCCC(=O)NCCC(=O)N 527a_100000740010_100000745395 [0,2,0,0,0,0|2,0,0]=4 5898 B14R0.2 COCCOCCN(C)CCCC(=O)O 269956a_100000719178_100000695917 [0,2,0,0,0,0|2,0,0]=4 5899 B14R0.2 N#CCCCCCC(=O)CCC[N+](=O)[O-] 1458a_100016109205_100009813376 [0,2,0,0,0,0|1,0,1]=4 5900 B14R0.2 N#CCCCCCC(=O)CCNC(=O)N 1458a_100000181464_100009813376 [0,2,0,0,0,0|2,0,0]=4 5901 B14R0.2 N#CCCCCCC(=O)COCC(=O)N 1458a_100011219004_100009813376 [0,2,0,0,0,0|2,0,0]=4 5902 B14R0.2 NC(=O)CCCC(=O)CCCCCCO 1458a_100011996774_100102525003 [0,2,0,0,0,0|1,0,0]=3 5903 B14R0.2 NC(=O)CCNC(=O)CCCCCCO 240690a_100000740010_100011996774 [0,2,0,0,0,0|2,0,0]=4 5904 B14R0.2 NC(=O)CCNC(=O)CNCCCCF 2230a_200138414118_100000729493 [0,2,0,0,0,0|2,0,0]=4 5905 B14R0.2 NC(=O)CCNC(=O)CNCCCCO 2230a_200138414118_100000210776 [0,2,0,0,0,0|2,0,0]=4 5906 B14R0.2 NC(=O)CCNC(=O)NCCCCCO 273464a_100000740010_100000762737 [0,2,0,0,0,0|2,0,0]=4 5907 B14R0.2 NC(=O)CCNC(=O)NCCCCCO 273464a_100000762737_100000740010 [0,2,0,0,0,0|2,0,0]=4 5908 B14R0.2 NC(=O)CCNC(=O)NCCCCCO 512a_100000762737_100000740010 [0,2,0,0,0,0|2,0,0]=4 5909 B14R0.2 NC(=O)COCC(=O)CCCCCCF 1458a_100011219004_100015922095 [0,2,0,0,0,0|2,0,0]=4 5910 B14R0.2 NC(=O)COCC(=O)CCCCCCO 1458a_100011219004_100000766143 [0,2,0,0,0,0|2,0,0]=4 5911 B14R0.2 NC(=O)COCC(=O)NCCCCCO 240690a_100000762737_100011219004 [0,2,0,0,0,0|2,0,0]=4 5912 B14R0.2 NC(=O)CSCC(=O)NCCCCCO 240690a_100000762737_100000150265 [0,2,0,0,0,0|2,0,0]=4 5913 B14R0.2 NC(=O)NCCC(=O)CCCCCCF 1458a_100000181464_100015922095 [0,2,0,0,0,0|2,0,0]=4 5914 B14R0.2 NC(=O)NCCC(=O)CCCCCCO 1458a_100000181464_100000766143 [0,2,0,0,0,0|2,0,0]=4 5915 B14R0.2 NC(=O)NCCC(=O)CCCCCCO 1458a_100011996774_200000034859 [0,2,0,0,0,0|2,0,0]=4 5916 B14R0.2 NC(=O)NCCC(=O)NCCCCCO 240690a_100000762737_100000181464 [0,2,0,0,0,0|2,0,0]=4 5917 B14R0.2 NC(=O)OCCC(=O)CCCCCCO 1458a_100011996774_200011214921 [0,2,0,0,0,0|2,0,0]=4 5918 B14R0.2 O=C(CCCCCCF)CCC[N+](=O)[O-] 1458a_100016109205_100015922095 [0,2,0,0,0,0|1,0,1]=4 5919 B14R0.2 O=C(CCCCCCO)CCC[N+](=O)[O-] 1458a_100016109205_100000766143 [0,2,0,0,0,0|1,0,1]=4 5920 B14R0.2 O=C(CCC[N+](=O)[O-])NCCCCCO 240690a_100000762737_100016109205 [0,2,0,0,0,0|1,0,1]=4 5921 B14R0.2 [N-]=[N+]=NCCCCC(=O)CCCC(=O)N 1458a_100000070148_100102525003 [0,2,0,0,0,0|2,0,0]=4 5922 B14R0.12 C#CCCCCC(=O)CCCC(=O)NC 1458a_100000696528_100000741757 [0,2,0,0,0,0|1,0,1]=4 5923 B14R0.12 C#CCCCCC(=O)CCCC(=O)OC 1458a_100000239890_100010269958 [0,2,0,0,0,0|0,0,1]=3 5924 B14R0.12 C#CCCCCC(=O)CCCC(=O)OC 1458a_100000696528_100011218270 [0,2,0,0,0,0|0,0,1]=3 5925 B14R0.12 C#CCCCCC(=O)CSCC(=O)OC 1458a_100000191316_100010269958 [0,2,0,0,0,0|1,0,1]=4 5926 B14R0.12 C#CCCCCC(=O)NCCC(=O)OC 188690a_100000683876_100000696528 [0,2,0,0,0,0|1,0,1]=4 5927 B14R0.12 C#CCCCNC(=O)CCCC(=O)OC 11a_100000718082_100000239890 [0,2,0,0,0,0|0,0,2]=4 5928 B14R0.12 C#CCCCNC(=O)CCCC(=O)OC 1626a_100000718082_100000239890 [0,2,0,0,0,0|0,0,2]=4 5929 B14R0.12 C#CCCCNC(=O)CCCC(=O)OC 240690a_100000718082_100000239890 [0,2,0,0,0,0|0,0,2]=4 5930 B14R0.12 C#CCCCNC(=O)CCCC(=O)OC 527a_100000718082_100000239890 [0,2,0,0,0,0|0,0,2]=4 5931 B14R0.12 C#CCOCCC(=O)CCCC(=O)OC 1458a_100000239890_100010402529 [0,2,0,0,0,0|0,0,2]=4 5932 B14R0.12 C#CCOCCC(=O)CCCC(=O)OC 1458a_100000693358_100011218270 [0,2,0,0,0,0|0,0,2]=4 5933 B14R0.12 C=CC(=O)OCCC(=O)CCCCCC 1458a_100000065099_100000210757 [0,2,0,0,0,0|2,0,0]=4 5934 B14R0.12 C=CC(=O)OCCC(=O)CCCCCC 1458a_100102632555_100009813456 [0,2,0,0,0,0|2,0,0]=4 5935 B14R0.12 C=CC(=O)OCCC(=O)CCCCCF 1458a_100000065099_100000729378 [0,2,0,0,0,0|2,0,0]=4 5936 B14R0.12 C=CC(=O)OCCC(=O)CCCCCO 1458a_100000065099_100000746330 [0,2,0,0,0,0|2,0,0]=4 5937 B14R0.12 C=CC(=O)OCCC(=O)CCCCCO 1458a_100102619762_100009813456 [0,2,0,0,0,0|2,0,0]=4 5938 B14R0.12 C=CC(=O)OCCC(=O)CCCCOC 1458a_100000065099_100000755781 [0,2,0,0,0,0|2,0,0]=4 5939 B14R0.12 C=CC(=O)OCCC(=O)CCCOCC 1458a_100000065099_100012232248 [0,2,0,0,0,0|2,0,0]=4 5940 B14R0.12 C=CC(=O)OCCC(=O)CCOCCC 1458a_100000065099_100011215938 [0,2,0,0,0,0|2,0,0]=4 5941 B14R0.12 C=CC(=O)OCCC(=O)COCCCC 1458a_100000065099_100011995733 [0,2,0,0,0,0|2,0,0]=4 5942 B14R0.12 C=CC(=O)OCCC(=O)COCCCC 1458a_100000757543_100009813456 [0,2,0,0,0,0|2,0,0]=4 5943 B14R0.12 C=CC(=O)OCCC(=O)CSCCCC 1458a_100000191162_100009813456 [0,2,0,0,0,0|2,0,0]=4 5944 B14R0.12 C=CC(=O)OCCC(=O)NCCCCC 240690a_100000209983_100000065099 [0,2,0,0,0,0|2,0,0]=4 5945 B14R0.12 C=CCCCCC(=O)CCCC(=O)NC 1458a_100011215552_100000741757 [0,2,0,0,0,0|1,0,1]=4 5946 B14R0.12 C=CCCCCC(=O)CCCC(=O)OC 1458a_100000239890_100011215482 [0,2,0,0,0,0|0,0,1]=3 5947 B14R0.12 C=CCCCCC(=O)CCCC(=O)OC 1458a_100011215552_100011218270 [0,2,0,0,0,0|0,0,1]=3 5948 B14R0.12 C=CCCCCC(=O)CSCC(=O)OC 1458a_100000191316_100011215482 [0,2,0,0,0,0|1,0,1]=4 5949 B14R0.12 C=CCCCCC(=O)NCCC(=O)OC 188690a_100000683876_100011215552 [0,2,0,0,0,0|1,0,1]=4 5950 B14R0.12 C=CCCCNC(=O)CCCC(=O)OC 11a_100000700776_100000239890 [0,2,0,0,0,0|0,0,2]=4 5951 B14R0.12 C=CCCCNC(=O)CCCC(=O)OC 1626a_100000700776_100000239890 [0,2,0,0,0,0|0,0,2]=4 5952 B14R0.12 C=CCCCNC(=O)CCCC(=O)OC 240690a_100000700776_100000239890 [0,2,0,0,0,0|0,0,2]=4 5953 B14R0.12 C=CCCCNC(=O)CCCC(=O)OC 527a_100000700776_100000239890 [0,2,0,0,0,0|0,0,2]=4 5954 B14R0.12 C=CCOCCC(=O)CCCC(=O)OC 1458a_200011217002_100011218270 [0,2,0,0,0,0|0,0,2]=4 5955 B14R0.12 CC/C=C\CCC(=O)CCCC(=O)OC 1458a_100000239890_100015370543 [0,2,0,0,0,0|0,0,1]=3 5956 B14R0.12 CC/C=C\CCC(=O)CSCC(=O)OC 1458a_100000191316_100015370543 [0,2,0,0,0,0|1,0,1]=4 5957 B14R0.12 CCC/C=C/CC(=O)CCCC(=O)NC 1458a_200016266809_100000741757 [0,2,0,0,0,0|1,0,1]=4 5958 B14R0.12 CCC/C=C/CC(=O)CCCC(=O)OC 1458a_200016266809_100011218270 [0,2,0,0,0,0|0,0,1]=3 5959 B14R0.12 CCC/C=C/CC(=O)NCCC(=O)OC 188690a_100000683876_200016266809 [0,2,0,0,0,0|1,0,1]=4 5960 B14R0.12 CCCCC=CC(=O)CCCC(=O)NC 1458a_100016266645_100000741757 [0,2,0,0,0,0|1,0,1]=4 5961 B14R0.12 CCCCC=CC(=O)CCCC(=O)OC 1458a_100016266645_100011218270 [0,2,0,0,0,0|0,0,1]=3 5962 B14R0.12 CCCCC=CC(=O)NCCC(=O)OC 188690a_100000683876_100016266645 [0,2,0,0,0,0|1,0,1]=4 5963 B14R0.12 CCCCCCC(=O)CCCC(=O)NC 1458a_100102632555_100000741757 [0,2,0,0,0,0|1,0,0]=3 5964 B14R0.12 CCCCCCC(=O)CCCC(=O)OC 1458a_100000239890_100000210757 [0,2,0,0,0,0|0,0,0]=2 5965 B14R0.12 CCCCCCC(=O)CCCC(=O)OC 1458a_100102632555_100011218270 [0,2,0,0,0,0|0,0,0]=2 5966 B14R0.12 CCCCCCC(=O)CCCN(C)N=O 1458a_200000076914_100000210757 [0,2,0,0,0,0|2,0,0]=4 5967 B14R0.12 CCCCCCC(=O)CCOC(=O)NC 1458a_100102632555_200011997002 [0,2,0,0,0,0|2,0,0]=4 5968 B14R0.12 CCCCCCC(=O)CSCC(=O)OC 1458a_100000191316_100000210757 [0,2,0,0,0,0|1,0,0]=3 5969 B14R0.12 CCCCCCC(=O)NCCC(=O)NC 11a_100000738227_100102632555 [0,2,0,0,0,0|2,0,0]=4 5970 B14R0.12 CCCCCCC(=O)NCCC(=O)NC 240690a_100000738227_100102632555 [0,2,0,0,0,0|2,0,0]=4 5971 B14R0.12 CCCCCCC(=O)NCCC(=O)NC 527a_100000738227_100102632555 [0,2,0,0,0,0|2,0,0]=4 5972 B14R0.12 CCCCCCC(=O)NCCC(=O)OC 188690a_100000683876_100102632555 [0,2,0,0,0,0|1,0,0]=3 5973 B14R0.12 CCCCCCN(C)CCCC(=O)OC 2230a_106256046315_100011218270 [0,2,0,0,0,0|2,0,0]=4 5974 B14R0.12 CCCCCCN(C)CCCC(=O)OC 269982a_100000739225_100000210757 [0,2,0,0,0,0|2,0,0]=4 5975 B14R0.12 CCCCCCN(C)CCCC(=O)OC 269982a_106256046315_100011218270 [0,2,0,0,0,0|2,0,0]=4 5976 B14R0.12 CCCCCNC(=O)CCCC(=O)OC 11a_100000209983_100000239890 [0,2,0,0,0,0|0,0,0]=2 5977 B14R0.12 CCCCCNC(=O)CCCC(=O)OC 1626a_100000209983_100000239890 [0,2,0,0,0,0|0,0,0]=2 5978 B14R0.12 CCCCCNC(=O)CCCC(=O)OC 240690a_100000209983_100000239890 [0,2,0,0,0,0|0,0,0]=2 5979 B14R0.12 CCCCCNC(=O)CCCC(=O)OC 527a_100000209983_100000239890 [0,2,0,0,0,0|0,0,0]=2 5980 B14R0.12 CCCCCNC(=O)CCCN(C)N=O 11a_100000209983_200000076914 [0,2,0,0,0,0|2,0,0]=4 5981 B14R0.12 CCCCCNC(=O)CCCN(C)N=O 1626a_100000209983_200000076914 [0,2,0,0,0,0|2,0,0]=4 5982 B14R0.12 CCCCCNC(=O)CCCN(C)N=O 240690a_100000209983_200000076914 [0,2,0,0,0,0|2,0,0]=4 5983 B14R0.12 CCCCCNC(=O)CCCN(C)N=O 527a_100000209983_200000076914 [0,2,0,0,0,0|2,0,0]=4 5984 B14R0.12 CCCCCNC(=O)CNCC(=O)NC 2230a_100000693194_100000230301 [0,2,0,0,0,0|2,0,0]=4 5985 B14R0.12 CCCCCNC(=O)COCC(=O)CC 34a_100000725409_100000230301 [0,2,0,0,0,0|2,0,0]=4 5986 B14R0.12 CCCCCNC(=O)COCC(=O)NC 34a_100000750040_100000230301 [0,2,0,0,0,0|2,0,0]=4 5987 B14R0.12 CCCCCNC(=O)CSCC(=O)CC 62a_100000230301_100000747405 [0,2,0,0,0,0|2,0,0]=4 5988 B14R0.12 CCCCCNC(=O)CSCC(=O)CC 62a_100000747405_100000230301 [0,2,0,0,0,0|2,0,0]=4 5989 B14R0.12 CCCCCNC(=O)CSCC(=O)NC 62a_100000183359_100000230301 [0,2,0,0,0,0|2,0,0]=4 5990 B14R0.12 CCCCCNC(=O)CSCC(=O)NC 62a_100000230301_100000183359 [0,2,0,0,0,0|2,0,0]=4 5991 B14R0.12 CCCCCNC(=O)CSCC(=O)OC 11a_100000209983_100000191316 [0,2,0,0,0,0|1,0,0]=3 5992 B14R0.12 CCCCCNC(=O)CSCC(=O)OC 1626a_100000209983_100000191316 [0,2,0,0,0,0|1,0,0]=3 5993 B14R0.12 CCCCCNC(=O)CSCC(=O)OC 240690a_100000209983_100000191316 [0,2,0,0,0,0|1,0,0]=3 5994 B14R0.12 CCCCCNC(=O)CSCC(=O)OC 62a_100000230301_100000747449 [0,2,0,0,0,0|1,0,0]=3 5995 B14R0.12 CCCCCNC(=O)CSCC(=O)OC 62a_100000747449_100000230301 [0,2,0,0,0,0|1,0,0]=3 5996 B14R0.12 CCCCCNC(=O)NCCC(=O)NC 2708a_100000209983_100000738227 [0,2,0,0,0,0|2,0,0]=4 5997 B14R0.12 CCCCCNC(=O)NCCC(=O)NC 273464a_100000209983_100000738227 [0,2,0,0,0,0|2,0,0]=4 5998 B14R0.12 CCCCCNC(=O)NCCC(=O)NC 273464a_100000738227_100000209983 [0,2,0,0,0,0|2,0,0]=4 5999 B14R0.12 CCCCCNC(=O)NCCC(=O)NC 512a_100000209983_100000738227 [0,2,0,0,0,0|2,0,0]=4 6000 B14R0.12 CCCCCNC(=O)NCCC(=O)NC 512a_100000738227_100000209983 [0,2,0,0,0,0|2,0,0]=4 6001 B14R0.12 CCCCNCC(=O)NCCC(=O)OC 2230a_100000102301_100000230212 [0,2,0,0,0,0|1,0,0]=3 6002 B14R0.12 CCCCNCC(=O)NCCC(=O)OC 7a_106832991798_100000230212 [0,2,0,0,0,0|1,0,0]=3 6003 B14R0.12 CCCCNN=C(C)CCCC(=O)OC 4a_100025702795_100000015542 [0,2,0,0,0,0|2,0,0]=4 6004 B14R0.12 CCCCNNC(=O)CCCC(=O)OC 22a_100025702795_100000239890 [0,2,0,0,0,0|1,0,0]=3 6005 B14R0.12 CCCCNNC(=O)CSCC(=O)OC 22a_100025702795_100000191316 [0,2,0,0,0,0|2,0,0]=4 6006 B14R0.12 CCCCOCC(=O)CCCC(=O)NC 1458a_100000757543_100000741757 [0,2,0,0,0,0|1,0,0]=3 6007 B14R0.12 CCCCOCC(=O)CCCC(=O)OC 1458a_100000239890_100011995733 [0,2,0,0,0,0|0,0,0]=2 6008 B14R0.12 CCCCOCC(=O)CCCC(=O)OC 1458a_100000757543_100011218270 [0,2,0,0,0,0|0,0,0]=2 6009 B14R0.12 CCCCOCC(=O)CCCN(C)N=O 1458a_200000076914_100011995733 [0,2,0,0,0,0|2,0,0]=4 6010 B14R0.12 CCCCOCC(=O)CCOC(=O)NC 1458a_100000757543_200011997002 [0,2,0,0,0,0|2,0,0]=4 6011 B14R0.12 CCCCOCC(=O)CSCC(=O)OC 1458a_100000191316_100011995733 [0,2,0,0,0,0|1,0,0]=3 6012 B14R0.12 CCCCOCC(=O)NCCC(=O)NC 11a_100000738227_100000757543 [0,2,0,0,0,0|2,0,0]=4 6013 B14R0.12 CCCCOCC(=O)NCCC(=O)NC 240690a_100000738227_100000757543 [0,2,0,0,0,0|2,0,0]=4 6014 B14R0.12 CCCCOCC(=O)NCCC(=O)NC 527a_100000738227_100000757543 [0,2,0,0,0,0|2,0,0]=4 6015 B14R0.12 CCCCOCC(=O)NCCC(=O)OC 188690a_100000683876_100000757543 [0,2,0,0,0,0|1,0,0]=3 6016 B14R0.12 CCCCOCC(=O)NCCC(=O)OC 34a_100000210227_100000230212 [0,2,0,0,0,0|1,0,0]=3 6017 B14R0.12 CCCCOCC(=O)NCCC(=O)OC 7a_100000210227_100000230212 [0,2,0,0,0,0|1,0,0]=3 6018 B14R0.12 CCCCOCN(C)CCCC(=O)OC 269982a_100000739225_100011995733 [0,2,0,0,0,0|2,0,0]=4 6019 B14R0.12 CCCCSCC(=O)CCCC(=O)NC 1458a_100000191162_100000741757 [0,2,0,0,0,0|1,0,0]=3 6020 B14R0.12 CCCCSCC(=O)CCCC(=O)OC 1458a_100000191162_100011218270 [0,2,0,0,0,0|0,0,0]=2 6021 B14R0.12 CCCCSCC(=O)CCOC(=O)NC 1458a_100000191162_200011997002 [0,2,0,0,0,0|2,0,0]=4 6022 B14R0.12 CCCCSCC(=O)NCCC(=O)NC 11a_100000738227_100000191162 [0,2,0,0,0,0|2,0,0]=4 6023 B14R0.12 CCCCSCC(=O)NCCC(=O)NC 240690a_100000738227_100000191162 [0,2,0,0,0,0|2,0,0]=4 6024 B14R0.12 CCCCSCC(=O)NCCC(=O)NC 527a_100000738227_100000191162 [0,2,0,0,0,0|2,0,0]=4 6025 B14R0.12 CCCCSCC(=O)NCCC(=O)OC 188690a_100000683876_100000191162 [0,2,0,0,0,0|1,0,0]=3 6026 B14R0.12 CCCCSCC(=O)NCCC(=O)OC 62a_100000210211_100000230212 [0,2,0,0,0,0|1,0,0]=3 6027 B14R0.12 CCCCSCC(=O)NCCC(=O)OC 62a_100000230212_100000210210 [0,2,0,0,0,0|1,0,0]=3 6028 B14R0.12 CCCOCCC(=O)CCCC(=O)OC 1458a_100000239890_100011215938 [0,2,0,0,0,0|0,0,0]=2 6029 B14R0.12 CCCOCCC(=O)CCCN(C)N=O 1458a_200000076914_100011215938 [0,2,0,0,0,0|2,0,0]=4 6030 B14R0.12 CCCOCCC(=O)CSCC(=O)OC 1458a_100000191316_100011215938 [0,2,0,0,0,0|1,0,0]=3 6031 B14R0.12 CCCOCCN(C)CCCC(=O)OC 269982a_100000739225_100011215938 [0,2,0,0,0,0|2,0,0]=4 6032 B14R0.12 CCOCCCC(=O)CCCC(=O)OC 1458a_100000239890_100012232248 [0,2,0,0,0,0|0,0,0]=2 6033 B14R0.12 CCOCCCC(=O)CCCN(C)N=O 1458a_200000076914_100012232248 [0,2,0,0,0,0|2,0,0]=4 6034 B14R0.12 CCOCCCC(=O)CSCC(=O)OC 1458a_100000191316_100012232248 [0,2,0,0,0,0|1,0,0]=3 6035 B14R0.12 CCOCCCN(C)CCCC(=O)OC 269982a_100000739225_100012232248 [0,2,0,0,0,0|2,0,0]=4 6036 B14R0.12 CCOCCNC(=O)CCCC(=O)OC 11a_100011200944_100000239890 [0,2,0,0,0,0|1,0,0]=3 6037 B14R0.12 CCOCCNC(=O)CCCC(=O)OC 1626a_102516460346_100000239890 [0,2,0,0,0,0|1,0,0]=3 6038 B14R0.12 CCOCCNC(=O)CCCC(=O)OC 240690a_100011200944_100000239890 [0,2,0,0,0,0|1,0,0]=3 6039 B14R0.12 CCOCCNC(=O)CCCC(=O)OC 527a_100011200944_100000239890 [0,2,0,0,0,0|1,0,0]=3 6040 B14R0.12 CCOCCNC(=O)CSCC(=O)OC 11a_100011200944_100000191316 [0,2,0,0,0,0|2,0,0]=4 6041 B14R0.12 CCOCCNC(=O)CSCC(=O)OC 1626a_102516460346_100000191316 [0,2,0,0,0,0|2,0,0]=4 6042 B14R0.12 CCOCCNC(=O)CSCC(=O)OC 240690a_100011200944_100000191316 [0,2,0,0,0,0|2,0,0]=4 6043 B14R0.12 CCOCCOC(=O)CSCC(=O)OC 62a_100000747449_200000101388 [0,2,0,0,0,0|2,0,0]=4 6044 B14R0.12 CCOCCOC(=O)CSCC(=O)OC 62a_200000101388_100000747449 [0,2,0,0,0,0|2,0,0]=4 6045 B14R0.12 CCOCSCC(=O)NCCC(=O)OC 62a_100000230212_100000739092 [0,2,0,0,0,0|2,0,0]=4 6046 B14R0.12 CCOCSCC(=O)NCCC(=O)OC 62a_100000739092_100000230212 [0,2,0,0,0,0|2,0,0]=4 6047 B14R0.12 CCSCCNC(=O)CCCC(=O)OC 11a_100000106463_100000239890 [0,2,0,0,0,0|1,0,0]=3 6048 B14R0.12 CCSCCNC(=O)CCCC(=O)OC 1626a_100000106463_100000239890 [0,2,0,0,0,0|1,0,0]=3 6049 B14R0.12 CCSCCNC(=O)CCCC(=O)OC 240690a_100000106463_100000239890 [0,2,0,0,0,0|1,0,0]=3 6050 B14R0.12 CCSCCNC(=O)CCCC(=O)OC 527a_100000106463_100000239890 [0,2,0,0,0,0|1,0,0]=3 6051 B14R0.12 CCSCCNC(=O)CSCC(=O)OC 11a_100000106463_100000191316 [0,2,0,0,0,0|2,0,0]=4 6052 B14R0.12 CCSCCNC(=O)CSCC(=O)OC 1626a_100000106463_100000191316 [0,2,0,0,0,0|2,0,0]=4 6053 B14R0.12 CCSCCNC(=O)CSCC(=O)OC 240690a_100000106463_100000191316 [0,2,0,0,0,0|2,0,0]=4 6054 B14R0.12 CN(CCCC(=O)CCCCCF)N=O 1458a_200000076914_100000729378 [0,2,0,0,0,0|2,0,0]=4 6055 B14R0.12 CN(CCCC(=O)CCCCCO)N=O 1458a_200000076914_100000746330 [0,2,0,0,0,0|2,0,0]=4 6056 B14R0.12 CNC(=O)CCCC(=O)CCCCCO 1458a_100102619762_100000741757 [0,2,0,0,0,0|1,0,0]=3 6057 B14R0.12 CNC(=O)CCCC(=O)CCOCCO 1458a_100011229844_100000741757 [0,2,0,0,0,0|2,0,0]=4 6058 B14R0.12 CNC(=O)CCCC(=O)COCCOC 1458a_100000211095_100000741757 [0,2,0,0,0,0|2,0,0]=4 6059 B14R0.12 CNC(=O)CCNC(=O)CCCCCO 240690a_100000738227_100102619762 [0,2,0,0,0,0|2,0,0]=4 6060 B14R0.12 CNC(=O)OCCC(=O)CCCCCO 1458a_100102619762_200011997002 [0,2,0,0,0,0|2,0,0]=4 6061 B14R0.12 COC(=O)CCCC(=O)CCCCC#N 1458a_100000239890_100000211819 [0,2,0,0,0,0|0,0,1]=3 6062 B14R0.12 COC(=O)CCCC(=O)CCCCCF 1458a_100000239890_100000729378 [0,2,0,0,0,0|0,0,0]=2 6063 B14R0.12 COC(=O)CCCC(=O)CCCCCO 1458a_100000239890_100000746330 [0,2,0,0,0,0|0,0,0]=2 6064 B14R0.12 COC(=O)CCCC(=O)CCCCCO 1458a_100102619762_100011218270 [0,2,0,0,0,0|0,0,0]=2 6065 B14R0.12 COC(=O)CCCC(=O)CCCN=[N+]=[N-] 1458a_100010262590_100011218270 [0,2,0,0,0,0|2,0,0]=4 6066 B14R0.12 COC(=O)CCCC(=O)CCOCC#N 1458a_100000239890_200000047693 [0,2,0,0,0,0|1,0,1]=4 6067 B14R0.12 COC(=O)CCCC(=O)CCOCCO 1458a_100000239890_100011215305 [0,2,0,0,0,0|1,0,0]=3 6068 B14R0.12 COC(=O)CCCC(=O)CCOCCO 1458a_100011229844_100011218270 [0,2,0,0,0,0|1,0,0]=3 6069 B14R0.12 COC(=O)CCCC(=O)NCCCCO 240690a_100000750430_100000239890 [0,2,0,0,0,0|1,0,0]=3 6070 B14R0.12 COC(=O)CCCC(=O)NCCCCO 527a_100000750430_100000239890 [0,2,0,0,0,0|1,0,0]=3 6071 B14R0.12 COC(=O)CCCC(=O)NCCCSC 11a_100000749238_100000239890 [0,2,0,0,0,0|1,0,0]=3 6072 B14R0.12 COC(=O)CCCC(=O)NCCCSC 1626a_100000749238_100000239890 [0,2,0,0,0,0|1,0,0]=3 6073 B14R0.12 COC(=O)CCCC(=O)NCCCSC 240690a_100000749238_100000239890 [0,2,0,0,0,0|1,0,0]=3 6074 B14R0.12 COC(=O)CCCC(=O)NCCCSC 527a_100000749238_100000239890 [0,2,0,0,0,0|1,0,0]=3 6075 B14R0.12 COC(=O)CCCN(C)CCCCCF 269982a_100000739225_100000729378 [0,2,0,0,0,0|2,0,0]=4 6076 B14R0.12 COC(=O)CCCN(C)CCCCCO 2230a_100000722520_100011218270 [0,2,0,0,0,0|2,0,0]=4 6077 B14R0.12 COC(=O)CCCN(C)CCCCCO 269982a_100000722520_100011218270 [0,2,0,0,0,0|2,0,0]=4 6078 B14R0.12 COC(=O)CCCN(C)CCCCCO 269982a_100000739225_100000746330 [0,2,0,0,0,0|2,0,0]=4 6079 B14R0.12 COC(=O)CCNC(=O)CCCCCO 188690a_100000683876_100102619762 [0,2,0,0,0,0|1,0,0]=3 6080 B14R0.12 COC(=O)CCNC(=O)CCOCCO 188690a_100000683876_100011229844 [0,2,0,0,0,0|2,0,0]=4 6081 B14R0.12 COC(=O)CCNC(=O)CNCCCF 2230a_100015189416_100000230212 [0,2,0,0,0,0|2,0,0]=4 6082 B14R0.12 COC(=O)CCNC(=O)CNCCCF 34a_100015189416_100000230212 [0,2,0,0,0,0|2,0,0]=4 6083 B14R0.12 COC(=O)CCNC(=O)CNCCSC 2230a_100020590264_100000230212 [0,2,0,0,0,0|2,0,0]=4 6084 B14R0.12 COC(=O)CCNC(=O)COCCCBr 34a_100011217188_100000230212 [0,2,0,0,0,0|2,0,0]=4 6085 B14R0.12 COC(=O)CCNC(=O)COCCCCl 34a_100000230001_100000230212 [0,2,0,0,0,0|2,0,0]=4 6086 B14R0.12 COC(=O)CCNC(=O)COCCCF 34a_100000759539_100000230212 [0,2,0,0,0,0|2,0,0]=4 6087 B14R0.12 COC(=O)CCNC(=O)COCCCN 34a_100000182051_100000230212 [0,2,0,0,0,0|2,0,0]=4 6088 B14R0.12 COC(=O)CCNC(=O)COCCSC 34a_100000230434_100000230212 [0,2,0,0,0,0|2,0,0]=4 6089 B14R0.12 COC(=O)CCNC(=O)COCCSC 7a_100000230434_100000230212 [0,2,0,0,0,0|2,0,0]=4 6090 B14R0.12 COC(=O)CCNC(=O)CSCCCF 62a_100000230212_100011934791 [0,2,0,0,0,0|2,0,0]=4 6091 B14R0.12 COC(=O)CCNC(=O)CSCCCF 62a_100011934791_100000230212 [0,2,0,0,0,0|2,0,0]=4 6092 B14R0.12 COC(=O)CCNC(=O)CSCCCO 62a_100000230212_100011215043 [0,2,0,0,0,0|2,0,0]=4 6093 B14R0.12 COC(=O)CCNC(=O)CSCCCO 62a_100011215043_100000230212 [0,2,0,0,0,0|2,0,0]=4 6094 B14R0.12 COC(=O)CCNC(=O)CSCCSC 62a_100000212216_100000230212 [0,2,0,0,0,0|2,0,0]=4 6095 B14R0.12 COC(=O)CCNC(=O)CSCCSC 62a_100000230212_100000751147 [0,2,0,0,0,0|2,0,0]=4 6096 B14R0.12 COC(=O)CSCC(=O)CCCCC#N 1458a_100000191316_100000211819 [0,2,0,0,0,0|1,0,1]=4 6097 B14R0.12 COC(=O)CSCC(=O)CCCCCF 1458a_100000191316_100000729378 [0,2,0,0,0,0|1,0,0]=3 6098 B14R0.12 COC(=O)CSCC(=O)CCCCCO 1458a_100000191316_100000746330 [0,2,0,0,0,0|1,0,0]=3 6099 B14R0.12 COC(=O)CSCC(=O)CCOCCO 1458a_100000191316_100011215305 [0,2,0,0,0,0|2,0,0]=4 6100 B14R0.12 COC(=O)CSCC(=O)NCCCCO 240690a_100000750430_100000191316 [0,2,0,0,0,0|2,0,0]=4 6101 B14R0.12 COC(=O)CSCC(=O)NCCCSC 11a_100000749238_100000191316 [0,2,0,0,0,0|2,0,0]=4 6102 B14R0.12 COC(=O)CSCC(=O)NCCCSC 1626a_100000749238_100000191316 [0,2,0,0,0,0|2,0,0]=4 6103 B14R0.12 COC(=O)CSCC(=O)NCCCSC 240690a_100000749238_100000191316 [0,2,0,0,0,0|2,0,0]=4 6104 B14R0.12 COCCCCC(=O)CCCC(=O)OC 1458a_100000239890_100000755781 [0,2,0,0,0,0|0,0,0]=2 6105 B14R0.12 COCCCCC(=O)CCCN(C)N=O 1458a_200000076914_100000755781 [0,2,0,0,0,0|2,0,0]=4 6106 B14R0.12 COCCCCC(=O)CSCC(=O)OC 1458a_100000191316_100000755781 [0,2,0,0,0,0|1,0,0]=3 6107 B14R0.12 COCCCCN(C)CCCC(=O)OC 269982a_100000739225_100000730899 [0,2,0,0,0,0|2,0,0]=4 6108 B14R0.12 COCCCNC(=O)CCCC(=O)OC 1626a_100150723488_100000239890 [0,2,0,0,0,0|1,0,0]=3 6109 B14R0.12 COCCCNC(=O)CCCC(=O)OC 240690a_100150723488_100000239890 [0,2,0,0,0,0|1,0,0]=3 6110 B14R0.12 COCCCNC(=O)CCCC(=O)OC 527a_100150723488_100000239890 [0,2,0,0,0,0|1,0,0]=3 6111 B14R0.12 COCCCNC(=O)CSCC(=O)OC 1626a_100150723488_100000191316 [0,2,0,0,0,0|2,0,0]=4 6112 B14R0.12 COCCCNC(=O)CSCC(=O)OC 240690a_100150723488_100000191316 [0,2,0,0,0,0|2,0,0]=4 6113 B14R0.12 COCCCNC(=O)CSCC(=O)OC 62a_100000183178_100000747449 [0,2,0,0,0,0|2,0,0]=4 6114 B14R0.12 COCCNCC(=O)NCCC(=O)OC 2230a_100000209980_100000230212 [0,2,0,0,0,0|2,0,0]=4 6115 B14R0.12 COCCNNC(=O)CCCC(=O)OC 22a_100000741390_100000239890 [0,2,0,0,0,0|2,0,0]=4 6116 B14R0.12 COCCOCC(=O)CCCC(=O)OC 1458a_100000211095_100011218270 [0,2,0,0,0,0|1,0,0]=3 6117 B14R0.12 COCCOCC(=O)NCCC(=O)OC 188690a_100000683876_100000211095 [0,2,0,0,0,0|2,0,0]=4 6118 B14R0.12 COCCOCC(=O)NCCC(=O)OC 34a_100000210237_100000230212 [0,2,0,0,0,0|2,0,0]=4 6119 B14R0.12 COCCSCC(=O)NCCC(=O)OC 62a_100000230212_100000233755 [0,2,0,0,0,0|2,0,0]=4 6120 B14R0.12 COCCSCC(=O)NCCC(=O)OC 62a_100000233755_100000230212 [0,2,0,0,0,0|2,0,0]=4 6121 B14R0.74 CCCCC(C)NC(=O)CCCC(C)O 1626a_100000126638_100000761597 [0,2,0,0,0,0|1,0,1]=4 6122 B14R0.74 CCCCC(C)NC(=O)CCCC(C)O 527a_100000126638_100000761597 [0,2,0,0,0,0|1,0,1]=4 6123 B14R0.74 CCCCC(C)NC(=O)CCC[N+](=O)[O-] 11a_100000126638_100016109205 [0,2,0,0,0,0|1,0,1]=4 6124 B14R0.74 CCCCC(C)NC(=O)CCC[N+](=O)[O-] 1626a_100000126638_100016109205 [0,2,0,0,0,0|1,0,1]=4 6125 B14R0.74 CCCCC(C)NC(=O)CCC[N+](=O)[O-] 240690a_100000126638_100016109205 [0,2,0,0,0,0|1,0,1]=4 6126 B14R0.74 CCCCC(C)NC(=O)CCC[N+](=O)[O-] 527a_100000126638_100016109205 [0,2,0,0,0,0|1,0,1]=4 6127 B14R0.74 CCCCC(C)NC(=O)CCNC(=O)C 11a_100000126638_100000183196 [0,2,0,0,0,0|2,0,0]=4 6128 B14R0.74 CCCCC(C)NC(=O)CCNC(=O)C 1626a_100000126638_100000183196 [0,2,0,0,0,0|2,0,0]=4 6129 B14R0.74 CCCCC(C)NC(=O)CCNC(=O)C 240690a_100000126638_100000183196 [0,2,0,0,0,0|2,0,0]=4 6130 B14R0.74 CCCCC(C)NC(=O)CCNC(=O)C 527a_100000126638_100000183196 [0,2,0,0,0,0|2,0,0]=4 6131 B14R0.74 CCCCC(C)NC(=O)CCNC(=O)N 240690a_100000126638_100000181464 [0,2,0,0,0,0|2,0,0]=4 6132 B14R0.74 CCCCC(C)NC(=O)CCNC(=O)N 527a_100000126638_100000181464 [0,2,0,0,0,0|2,0,0]=4 6133 B14R0.74 CCCCC(C)NC(=O)CCSC(=O)C 1626a_100000126638_100000048949 [0,2,0,0,0,0|2,0,0]=4 6134 B14R0.74 CCCCC(C)NC(=O)CCSC(=O)C 240690a_100000126638_100000048949 [0,2,0,0,0,0|2,0,0]=4 6135 B14R0.74 CCCCC(C)NC(=O)COCC(=O)N 1626a_100000126638_100011219004 [0,2,0,0,0,0|2,0,0]=4 6136 B14R0.74 CCCCC(C)NC(=O)COCC(=O)N 240690a_100000126638_100011219004 [0,2,0,0,0,0|2,0,0]=4 6137 B14R0.74 CCCCC(C)NC(=O)COCC(=O)N 527a_100000126638_100011219004 [0,2,0,0,0,0|2,0,0]=4 6138 B14R0.74 CCCCC(C)NC(=O)CSCC(=O)N 11a_100000126638_100000150265 [0,2,0,0,0,0|2,0,0]=4 6139 B14R0.74 CCCCC(C)NC(=O)CSCC(=O)N 240690a_100000126638_100000150265 [0,2,0,0,0,0|2,0,0]=4 6140 B14R0.74 CCCCC(C)NC(=O)CSCC(=O)N 527a_100000126638_100000150265 [0,2,0,0,0,0|2,0,0]=4 6141 B14R0.74 CCCCC(C)NC(=O)NCCC(=O)N 2708a_100000126638_100000740010 [0,2,0,0,0,0|2,0,0]=4 6142 B14R0.74 CCCCC(C)NC(=O)NCCC(=O)N 273464a_100000126638_100000740010 [0,2,0,0,0,0|2,0,0]=4 6143 B14R0.74 CCCCC(C)NC(=O)NCCC(=O)N 273464a_100000740010_100000126638 [0,2,0,0,0,0|2,0,0]=4 6144 B14R0.74 CCCCC(C)NC(=O)NCCC(=O)N 512a_100000126638_100000740010 [0,2,0,0,0,0|2,0,0]=4 6145 B14R0.180 CC(=O)N(C)CCC(=O)CCCCCF 1458a_100011216537_100000729378 [0,2,0,0,0,0|2,0,0]=4 6146 B14R0.180 CC(=O)N(C)CCC(=O)CCCCCO 1458a_100011216537_100000746330 [0,2,0,0,0,0|2,0,0]=4 6147 B14R0.180 CCCCCCC(=O)CCN(C)C(=O)C 1458a_100011216537_100000210757 [0,2,0,0,0,0|2,0,0]=4 6148 B14R0.180 CCCCCNC(=O)CCN(C)C(=O)C 11a_100000209983_100011216537 [0,2,0,0,0,0|2,0,0]=4 6149 B14R0.180 CCCCCNC(=O)CCN(C)C(=O)C 1626a_100000209983_100011216537 [0,2,0,0,0,0|2,0,0]=4 6150 B14R0.180 CCCCCNC(=O)CCN(C)C(=O)C 240690a_100000209983_100011216537 [0,2,0,0,0,0|2,0,0]=4 6151 B14R0.180 CCCCCNC(=O)CN[C@@H](C)C(=O)O 269956a_100000743915_100000230301 [0,2,0,0,0,0|1,0,0]=3 6152 B14R0.180 CCCCCNC(=O)CN[C@H](C)C(=O)N 2230a_100000119354_100000230301 [0,2,0,0,0,0|2,0,0]=4 6153 B14R0.180 CCCCCNC(=O)CN[C@H](C)C(=O)N 34a_100000119354_100000230301 [0,2,0,0,0,0|2,0,0]=4 6154 B14R0.180 CCCCCNC(=O)COC(C)C(=O)C 34a_100000212229_100000230301 [0,2,0,0,0,0|2,0,0]=4 6155 B14R0.180 CCCCCNC(=O)CO[C@@H](C)C(=O)[O-] 7a_217856618621_100000230301 [0,2,0,0,0,0|1,0,1]=4 6156 B14R0.180 CCCCCNC(=O)CO[C@H](C)C(=O)N 34a_100000731257_100000230301 [0,2,0,0,0,0|2,0,0]=4 6157 B14R0.180 CCCCCNC(=O)CO[C@H](C)C(=O)N 7a_100000731257_100000230301 [0,2,0,0,0,0|2,0,0]=4 6158 B14R0.180 CCCCCNC(=O)CSC(C)C(=O)C 62a_100000230301_100009814033 [0,2,0,0,0,0|2,0,0]=4 6159 B14R0.180 CCCCCNC(=O)CSC(C)C(=O)C 62a_100009814033_100000230301 [0,2,0,0,0,0|2,0,0]=4 6160 B14R0.180 CCCCCNC(=O)CSC(C)C(=O)N 62a_100000230301_100000702099 [0,2,0,0,0,0|2,0,0]=4 6161 B14R0.180 CCCCCNC(=O)CSC(C)C(=O)N 62a_100000702099_100000230301 [0,2,0,0,0,0|2,0,0]=4 6162 B14R0.180 CCCCCNC(=O)CSC(F)C(=O)N 62a_100000230301_100009813875 [0,2,0,0,0,0|2,0,0]=4 6163 B14R0.180 CCCCCNC(=O)CSC(F)C(=O)N 62a_100009813875_100000230301 [0,2,0,0,0,0|2,0,0]=4 6164 B14R0.180 CCCCCNC(=O)CSC(F)C(=O)[O-] 62a_100000230301_100020610796 [0,2,0,0,0,0|1,0,1]=4 6165 B14R0.180 CCCCCNC(=O)CSC(F)C(=O)[O-] 62a_100020610796_100000230301 [0,2,0,0,0,0|1,0,1]=4 6166 B14R0.180 CCCCOCC(=O)CCN(C)C(=O)C 1458a_100011216537_100011995733 [0,2,0,0,0,0|2,0,0]=4 6167 B14R0.180 CCCOCCC(=O)CCN(C)C(=O)C 1458a_100011216537_100011215938 [0,2,0,0,0,0|2,0,0]=4 6168 B14R0.180 CCOCCCC(=O)CCN(C)C(=O)C 1458a_100011216537_100012232248 [0,2,0,0,0,0|2,0,0]=4 6169 B14R0.180 CCOCCOC(=O)CN[C@@H](C)C(=O)O 269956a_100000743915_200000101388 [0,2,0,0,0,0|2,0,0]=4 6170 B14R0.180 COCCCCC(=O)CCN(C)C(=O)C 1458a_100011216537_100000755781 [0,2,0,0,0,0|2,0,0]=4 6171 B14R0.180 COCCCNC(=O)CN[C@@H](C)C(=O)O 269956a_100000743915_100000183178 [0,2,0,0,0,0|2,0,0]=4 6172 B14R0.200 CCCCCCC(=O)CCCS(=O)(=O)C 1458a_100102632555_100000754308 [0,2,0,0,0,0|1,0,1]=4 6173 B14R0.200 CCCCCCC(=O)CCCS(=O)(=O)N 1458a_100000739357_100000210757 [0,2,0,0,0,0|1,0,1]=4 6174 B14R0.200 CCCCCCC(=O)CCCS(=O)(=O)N 1458a_100102632555_100000750626 [0,2,0,0,0,0|1,0,1]=4 6175 B14R0.200 CCCCCCC(=O)CCCS(=O)(=O)[O-] 1458a_100102632555_100009813499 [0,2,0,0,0,0|1,0,1]=4 6176 B14R0.200 CCCCCNC(=O)CCCS(=O)(=O)N 240690a_100000209983_100000739357 [0,2,0,0,0,0|1,0,1]=4 6177 B14R0.200 CCCCOCC(=O)CCCS(=O)(=O)C 1458a_100000757543_100000754308 [0,2,0,0,0,0|1,0,1]=4 6178 B14R0.200 CCCCOCC(=O)CCCS(=O)(=O)N 1458a_100000739357_100011995733 [0,2,0,0,0,0|1,0,1]=4 6179 B14R0.200 CCCCOCC(=O)CCCS(=O)(=O)N 1458a_100000757543_100000750626 [0,2,0,0,0,0|1,0,1]=4 6180 B14R0.200 CCCCOCC(=O)CCCS(=O)(=O)[O-] 1458a_100000757543_100009813499 [0,2,0,0,0,0|1,0,1]=4 6181 B14R0.200 CCCCSCC(=O)CCCS(=O)(=O)C 1458a_100000191162_100000754308 [0,2,0,0,0,0|1,0,1]=4 6182 B14R0.200 CCCCSCC(=O)CCCS(=O)(=O)N 1458a_100000191162_100000750626 [0,2,0,0,0,0|1,0,1]=4 6183 B14R0.200 CCCCSCC(=O)CCCS(=O)(=O)[O-] 1458a_100000191162_100009813499 [0,2,0,0,0,0|1,0,1]=4 6184 B14R0.200 CCCOCCC(=O)CCCS(=O)(=O)N 1458a_100000739357_100011215938 [0,2,0,0,0,0|1,0,1]=4 6185 B14R0.200 CCOCCCC(=O)CCCS(=O)(=O)N 1458a_100000739357_100012232248 [0,2,0,0,0,0|1,0,1]=4 6186 B14R0.200 COCCCCC(=O)CCCS(=O)(=O)N 1458a_100000739357_100000755781 [0,2,0,0,0,0|1,0,1]=4 6187 B14R0.200 CS(=O)(=O)CCCC(=O)CCCCCO 1458a_100102619762_100000754308 [0,2,0,0,0,0|1,0,1]=4 6188 B14R0.200 NS(=O)(=O)CCCC(=O)CCCCCF 1458a_100000739357_100000729378 [0,2,0,0,0,0|1,0,1]=4 6189 B14R0.200 NS(=O)(=O)CCCC(=O)CCCCCO 1458a_100000739357_100000746330 [0,2,0,0,0,0|1,0,1]=4 6190 B14R0.200 NS(=O)(=O)CCCC(=O)CCCCCO 1458a_100102619762_100000750626 [0,2,0,0,0,0|1,0,1]=4 6191 B14R0.200 O=C(CCCCCO)CCCS(=O)(=O)[O-] 1458a_100102619762_100009813499 [0,2,0,0,0,0|1,0,1]=4 6192 B14R0.304 C=CC(=O)OCCC(=O)CCCC(C)C 1458a_100000065099_100011214892 [0,2,0,0,0,0|2,0,0]=4 6193 B14R0.304 C=CC(=O)OCCC(=O)CCCC(C)C 1458a_100011216857_100009813456 [0,2,0,0,0,0|2,0,0]=4 6194 B14R0.304 C=CC(=O)OCCC(=O)CCCC(C)O 1458a_100000065099_200000718107 [0,2,0,0,0,0|2,0,0]=4 6195 B14R0.304 CC(=O)CCCC(=O)CCCN(C)N=O 1458a_200000076914_100011215641 [0,2,0,0,0,0|2,0,0]=4 6196 B14R0.304 CC(C)CCCC(=O)CCCN(C)N=O 1458a_200000076914_100011214892 [0,2,0,0,0,0|2,0,0]=4 6197 B14R0.304 CC(O)CCCC(=O)CCCN(C)N=O 1458a_200000076914_200000718107 [0,2,0,0,0,0|2,0,0]=4 6198 B14R0.304 CCC(C)CCNC(=O)CCCC(C)O 1626a_100020591266_100000761597 [0,2,0,0,0,0|1,0,1]=4 6199 B14R0.304 CCC(C)CCNC(=O)CCCC(C)O 527a_100020591266_100000761597 [0,2,0,0,0,0|1,0,1]=4 6200 B14R0.304 CCC(C)CCNC(=O)CCC[N+](=O)[O-] 11a_100020591266_100016109205 [0,2,0,0,0,0|1,0,1]=4 6201 B14R0.304 CCC(C)CCNC(=O)CCC[N+](=O)[O-] 1626a_100020591266_100016109205 [0,2,0,0,0,0|1,0,1]=4 6202 B14R0.304 CCC(C)CCNC(=O)CCC[N+](=O)[O-] 240690a_100020591266_100016109205 [0,2,0,0,0,0|1,0,1]=4 6203 B14R0.304 CCC(C)CCNC(=O)CCC[N+](=O)[O-] 527a_100020591266_100016109205 [0,2,0,0,0,0|1,0,1]=4 6204 B14R0.304 CCC(C)CCNC(=O)CCNC(=O)C 11a_100020591266_100000183196 [0,2,0,0,0,0|2,0,0]=4 6205 B14R0.304 CCC(C)CCNC(=O)CCNC(=O)C 1626a_100020591266_100000183196 [0,2,0,0,0,0|2,0,0]=4 6206 B14R0.304 CCC(C)CCNC(=O)CCNC(=O)C 240690a_100020591266_100000183196 [0,2,0,0,0,0|2,0,0]=4 6207 B14R0.304 CCC(C)CCNC(=O)CCNC(=O)C 527a_100020591266_100000183196 [0,2,0,0,0,0|2,0,0]=4 6208 B14R0.304 CCC(C)CCNC(=O)CCNC(=O)N 240690a_100020591266_100000181464 [0,2,0,0,0,0|2,0,0]=4 6209 B14R0.304 CCC(C)CCNC(=O)CCNC(=O)N 527a_100020591266_100000181464 [0,2,0,0,0,0|2,0,0]=4 6210 B14R0.304 CCC(C)CCNC(=O)CCSC(=O)C 1626a_100020591266_100000048949 [0,2,0,0,0,0|2,0,0]=4 6211 B14R0.304 CCC(C)CCNC(=O)CCSC(=O)C 240690a_100020591266_100000048949 [0,2,0,0,0,0|2,0,0]=4 6212 B14R0.304 CCC(C)CCNC(=O)COCC(=O)N 1626a_100020591266_100011219004 [0,2,0,0,0,0|2,0,0]=4 6213 B14R0.304 CCC(C)CCNC(=O)COCC(=O)N 240690a_100020591266_100011219004 [0,2,0,0,0,0|2,0,0]=4 6214 B14R0.304 CCC(C)CCNC(=O)COCC(=O)N 527a_100020591266_100011219004 [0,2,0,0,0,0|2,0,0]=4 6215 B14R0.304 CCC(C)CCNC(=O)CSCC(=O)N 11a_100020591266_100000150265 [0,2,0,0,0,0|2,0,0]=4 6216 B14R0.304 CCC(C)CCNC(=O)CSCC(=O)N 240690a_100020591266_100000150265 [0,2,0,0,0,0|2,0,0]=4 6217 B14R0.304 CCC(C)CCNC(=O)CSCC(=O)N 527a_100020591266_100000150265 [0,2,0,0,0,0|2,0,0]=4 6218 B14R0.304 CCC(C)CCNC(=O)NCCC(=O)N 2708a_100020591266_100000740010 [0,2,0,0,0,0|2,0,0]=4 6219 B14R0.304 CCC(C)CCNC(=O)NCCC(=O)N 273464a_100000740010_100020591266 [0,2,0,0,0,0|2,0,0]=4 6220 B14R0.304 CCC(C)CCNC(=O)NCCC(=O)N 273464a_100020591266_100000740010 [0,2,0,0,0,0|2,0,0]=4 6221 B14R0.304 CCC(C)CCNC(=O)NCCC(=O)N 512a_100020591266_100000740010 [0,2,0,0,0,0|2,0,0]=4 6222 B14R0.304 CCC(C)CNCC(=O)NCCC(=O)N 2230a_200138414118_100000748023 [0,2,0,0,0,0|2,0,0]=4 6223 B14R0.304 CCC(O)CNCC(=O)NCCC(=O)N 2230a_200138414118_100011218378 [0,2,0,0,0,0|2,0,0]=4 6224 B14R0.304 CCN(C)CCCC(=O)CCC[N+](=O)[O-] 1458a_100016109205_100015186262 [0,2,0,0,0,0|1,0,1]=4 6225 B14R0.304 CCN(C)CCCC(=O)CCNC(=O)C 1458a_100000183196_100015186262 [0,2,0,0,0,0|2,0,0]=4 6226 B14R0.304 CCN(C)CCCC(=O)CCNC(=O)N 1458a_100000181464_100015186262 [0,2,0,0,0,0|2,0,0]=4 6227 B14R0.304 CCN(C)CCCC(=O)CCSC(=O)C 1458a_100000048949_100015186262 [0,2,0,0,0,0|2,0,0]=4 6228 B14R0.304 CCN(C)CCCC(=O)COCC(=O)N 1458a_100011219004_100015186262 [0,2,0,0,0,0|2,0,0]=4 6229 B14R0.304 CCN(C)CCCN(C)CCCC(=O)O 269956a_100000719178_100015186262 [0,2,0,0,0,0|2,0,0]=4 6230 B14R0.304 CC[C@H](C)CNCC(=O)NCCC(=O)N 2230a_200138414118_100009816398 [0,2,0,0,0,0|2,0,0]=4 6231 B14R0.304 CN(CCCC(=O)CCCC(=O)N)N=O 1458a_200000076914_100102525003 [0,2,0,0,0,0|2,0,0]=4 6232 B14R0.304 CNC(=O)CCCC(=O)CCCC(C)C 1458a_100011216857_100000741757 [0,2,0,0,0,0|1,0,0]=3 6233 B14R0.304 CNC(=O)CCCC(=O)COCC(C)C 1458a_100011223364_100000741757 [0,2,0,0,0,0|2,0,0]=4 6234 B14R0.304 CNC(=O)CCNC(=O)CCCC(C)C 11a_100000738227_100011216857 [0,2,0,0,0,0|2,0,0]=4 6235 B14R0.304 CNC(=O)CCNC(=O)CCCC(C)C 240690a_100000738227_100011216857 [0,2,0,0,0,0|2,0,0]=4 6236 B14R0.304 CNC(=O)CCNC(=O)CCCC(C)C 527a_100000738227_100011216857 [0,2,0,0,0,0|2,0,0]=4 6237 B14R0.304 CNC(=O)CCNC(=O)CCCC(C)O 527a_100000738227_100000761597 [0,2,0,0,0,0|2,0,0]=4 6238 B14R0.304 CNC(=O)OCCC(=O)CCCC(C)C 1458a_100011216857_200011997002 [0,2,0,0,0,0|2,0,0]=4 6239 B14R0.304 COC(=O)CCCC(=O)C/C=C/C(C)C 1458a_100016292215_100011218270 [0,2,0,0,0,0|0,0,2]=4 6240 B14R0.304 COC(=O)CCCC(=O)CCC=C(C)C 1458a_100000239890_100011217483 [0,2,0,0,0,0|0,0,2]=4 6241 B14R0.304 COC(=O)CCCC(=O)CCCC(=O)C 1458a_100000239890_100011215641 [0,2,0,0,0,0|0,0,1]=3 6242 B14R0.304 COC(=O)CCCC(=O)CCCC(=O)N 1458a_100000239890_100102525003 [0,2,0,0,0,0|1,0,1]=4 6243 B14R0.304 COC(=O)CCCC(=O)CCCC(C)C 1458a_100000239890_100011214892 [0,2,0,0,0,0|0,0,0]=2 6244 B14R0.304 COC(=O)CCCC(=O)CCCC(C)C 1458a_100011216857_100011218270 [0,2,0,0,0,0|0,0,0]=2 6245 B14R0.304 COC(=O)CCCC(=O)CCCC(C)O 1458a_100000239890_200000718107 [0,2,0,0,0,0|0,0,0]=2 6246 B14R0.304 COC(=O)CCCC(=O)CCCN(C)C 1458a_100000239890_100000695564 [0,2,0,0,0,0|1,0,0]=3 6247 B14R0.304 COC(=O)CCCC(=O)CCC[N+](=O)[O-] 1458a_100016109205_100011218270 [0,2,0,0,0,0|2,0,0]=4 6248 B14R0.304 COC(=O)CCCC(=O)CCNC(=O)C 1458a_100000183196_100011218270 [0,2,0,0,0,0|1,0,1]=4 6249 B14R0.304 COC(=O)CCCC(=O)CCNC(=O)C 1458a_100000239890_100000189650 [0,2,0,0,0,0|1,0,1]=4 6250 B14R0.304 COC(=O)CCCC(=O)CCOC(=O)C 1458a_100000239890_100009814007 [0,2,0,0,0,0|1,0,1]=4 6251 B14R0.304 COC(=O)CCCC(=O)CCOC(C)C 1458a_100000239890_100000211751 [0,2,0,0,0,0|1,0,0]=3 6252 B14R0.304 COC(=O)CCCC(=O)CCSC(=O)C 1458a_100000048949_100011218270 [0,2,0,0,0,0|1,0,1]=4 6253 B14R0.304 COC(=O)CCCC(=O)CCSC(C)C 1458a_100000239890_100000730970 [0,2,0,0,0,0|1,0,0]=3 6254 B14R0.304 COC(=O)CCCC(=O)COCC(C)C 1458a_100011223364_100011218270 [0,2,0,0,0,0|1,0,0]=3 6255 B14R0.304 COC(=O)CCCC(=O)NCCC(C)C 11a_100000210545_100000239890 [0,2,0,0,0,0|1,0,0]=3 6256 B14R0.304 COC(=O)CCCC(=O)NCCC(C)C 1626a_100000210545_100000239890 [0,2,0,0,0,0|1,0,0]=3 6257 B14R0.304 COC(=O)CCCC(=O)NCCC(C)C 240690a_100000210545_100000239890 [0,2,0,0,0,0|1,0,0]=3 6258 B14R0.304 COC(=O)CCCC(=O)NCCC(C)C 527a_100000210545_100000239890 [0,2,0,0,0,0|1,0,0]=3 6259 B14R0.304 COC(=O)CCCC(=O)NCCC(C)O 240690a_200000755665_100000239890 [0,2,0,0,0,0|1,0,0]=3 6260 B14R0.304 COC(=O)CCCC(=O)NCCC(C)O 527a_200000755665_100000239890 [0,2,0,0,0,0|1,0,0]=3 6261 B14R0.304 COC(=O)CCCC(=O)NCCN(C)C 240690a_100000210585_100000239890 [0,2,0,0,0,0|2,0,0]=4 6262 B14R0.304 COC(=O)CCCC(=O)NCCN(C)C 527a_100000210585_100000239890 [0,2,0,0,0,0|2,0,0]=4 6263 B14R0.304 COC(=O)CCCC(=O)NNCC(C)C 22a_100000696102_100000239890 [0,2,0,0,0,0|2,0,0]=4 6264 B14R0.304 COC(=O)CCCC(=O)NNCC(C)O 22a_200000730056_100000239890 [0,2,0,0,0,0|2,0,0]=4 6265 B14R0.304 COC(=O)CCCN(C)CCCC(C)C 269982a_100000739225_100011214892 [0,2,0,0,0,0|2,0,0]=4 6266 B14R0.304 COC(=O)CCCN(C)CCCC(C)O 269982a_100000739225_200000718107 [0,2,0,0,0,0|2,0,0]=4 6267 B14R0.304 COC(=O)CCNC(=O)CCCC(C)C 188690a_100000683876_100011216857 [0,2,0,0,0,0|1,0,0]=3 6268 B14R0.304 COC(=O)CCNC(=O)CCCC(C)O 188690a_100000683876_100000761597 [0,2,0,0,0,0|1,0,0]=3 6269 B14R0.304 COC(=O)CCNC(=O)CCCN(C)C 188690a_100000683876_100000740757 [0,2,0,0,0,0|2,0,0]=4 6270 B14R0.304 COC(=O)CCNC(=O)CNCC(C)C 2230a_100000210953_100000230212 [0,2,0,0,0,0|2,0,0]=4 6271 B14R0.304 COC(=O)CCNC(=O)CNCC(C)C 34a_100000210953_100000230212 [0,2,0,0,0,0|2,0,0]=4 6272 B14R0.304 COC(=O)CCNC(=O)CNCC(C)O 2230a_100000210904_100000230212 [0,2,0,0,0,0|2,0,0]=4 6273 B14R0.304 COC(=O)CCNC(=O)CNCC(C)O 34a_100000210904_100000230212 [0,2,0,0,0,0|2,0,0]=4 6274 B14R0.304 COC(=O)CCNC(=O)COCC(C)Br 34a_100012180447_100000230212 [0,2,0,0,0,0|2,0,0]=4 6275 B14R0.304 COC(=O)CCNC(=O)COCC(C)C 188690a_100000683876_100011223364 [0,2,0,0,0,0|2,0,0]=4 6276 B14R0.304 COC(=O)CCNC(=O)COCC(C)C 34a_100000210257_100000230212 [0,2,0,0,0,0|2,0,0]=4 6277 B14R0.304 COC(=O)CCNC(=O)COCC(C)F 34a_100015925927_100000230212 [0,2,0,0,0,0|2,0,0]=4 6278 B14R0.304 COC(=O)CCNC(=O)COC[C@@H](C)Cl 34a_100016084084_100000230212 [0,2,0,0,0,0|2,0,0]=4 6279 B14R0.304 COC(=O)CCNC(=O)COC[C@@H](C)N 34a_100000737577_100000230212 [0,2,0,0,0,0|2,0,0]=4 6280 B14R0.304 COC(=O)CCNC(=O)CSCC(C)C 62a_100000210624_100000230212 [0,2,0,0,0,0|2,0,0]=4 6281 B14R0.304 COC(=O)CCNC(=O)CSCC(C)C 62a_100000230212_100000210760 [0,2,0,0,0,0|2,0,0]=4 6282 B14R0.304 COC(=O)CCNC(=O)CSCC(C)O 62a_100000230212_100011218427 [0,2,0,0,0,0|2,0,0]=4 6283 B14R0.304 COC(=O)CCNC(=O)CSCC(C)O 62a_100011218427_100000230212 [0,2,0,0,0,0|2,0,0]=4 6284 B14R0.304 COC(=O)CCNC(=O)CSC[C@@H](C)O 62a_100000230212_100009817552 [0,2,0,0,0,0|2,0,0]=4 6285 B14R0.304 COC(=O)CCNC(=O)CSC[C@@H](C)O 62a_100009817552_100000230212 [0,2,0,0,0,0|2,0,0]=4 6286 B14R0.304 COC(=O)CSCC(=O)CCCC(=O)C 1458a_100000191316_100011215641 [0,2,0,0,0,0|1,0,1]=4 6287 B14R0.304 COC(=O)CSCC(=O)CCCC(C)C 1458a_100000191316_100011214892 [0,2,0,0,0,0|1,0,0]=3 6288 B14R0.304 COC(=O)CSCC(=O)CCCC(C)O 1458a_100000191316_200000718107 [0,2,0,0,0,0|1,0,0]=3 6289 B14R0.304 COC(=O)CSCC(=O)CCCN(C)C 1458a_100000191316_100000695564 [0,2,0,0,0,0|2,0,0]=4 6290 B14R0.304 COC(=O)CSCC(=O)CCOC(C)C 1458a_100000191316_100000211751 [0,2,0,0,0,0|2,0,0]=4 6291 B14R0.304 COC(=O)CSCC(=O)CCSC(C)C 1458a_100000191316_100000730970 [0,2,0,0,0,0|2,0,0]=4 6292 B14R0.304 COC(=O)CSCC(=O)NCCC(C)C 11a_100000210545_100000191316 [0,2,0,0,0,0|2,0,0]=4 6293 B14R0.304 COC(=O)CSCC(=O)NCCC(C)C 1626a_100000210545_100000191316 [0,2,0,0,0,0|2,0,0]=4 6294 B14R0.304 COC(=O)CSCC(=O)NCCC(C)C 240690a_100000210545_100000191316 [0,2,0,0,0,0|2,0,0]=4 6295 B14R0.304 COC(=O)CSCC(=O)NCCC(C)O 240690a_200000755665_100000191316 [0,2,0,0,0,0|2,0,0]=4 6296 B14R0.389 CCCCCNC(=O)CC(=O)CC(=O)N 1458a_100134613110_100000230301 [0,2,0,0,0,0|1,0,1]=4 6297 B14R0.389 CCCCCNC(=O)CN(C)CC(=O)N 2230a_100000739694_100000230301 [0,2,0,0,0,0|2,0,0]=4 6298 B14R0.389 CCCCCNC(=O)CN(C)CC(=O)O 269956a_100000746989_100000230301 [0,2,0,0,0,0|1,0,0]=3 6299 B14R0.389 CCOCCOC(=O)CN(C)CC(=O)O 269956a_100000746989_200000101388 [0,2,0,0,0,0|2,0,0]=4 6300 B14R0.389 COCCCNC(=O)CN(C)CC(=O)O 269956a_100000746989_100000183178 [0,2,0,0,0,0|2,0,0]=4 6301 B14R0.431 CCCC(C)NCC(=O)NCCC(=O)N 2230a_200138414118_100000766640 [0,2,0,0,0,0|2,0,0]=4 6302 B14R0.431 CCNC(=O)CCC(=O)CCCC(=O)C 1458a_100000199579_100011215641 [0,2,0,0,0,0|1,0,1]=4 6303 B14R0.431 CCNC(=O)CCC(=O)CCCC(=O)N 1458a_100000199579_100102525003 [0,2,0,0,0,0|1,0,1]=4 6304 B14R0.431 CCOC(=O)CCC(=O)CCCC(=O)C 1458a_100000183558_100011215641 [0,2,0,0,0,0|1,0,1]=4 6305 B14R0.431 CCOC(=O)CCC(=O)CCCC(=O)N 1458a_100000183558_100102525003 [0,2,0,0,0,0|1,0,1]=4 6306 B14R0.511 CC(=O)SC[C@@H](C)C(=O)CCCCCF 1458a_200015407212_100000729378 [0,2,0,0,0,0|2,0,0]=4 6307 B14R0.511 CC(=O)SC[C@@H](C)C(=O)CCCCCO 1458a_200015407212_100000746330 [0,2,0,0,0,0|2,0,0]=4 6308 B14R0.511 CCCCCCC(=O)N(C)CCC(=O)N 11a_100000730477_100102632555 [0,2,0,0,0,0|2,0,0]=4 6309 B14R0.511 CCCCCCC(=O)N(C)CCC(=O)N 240690a_100000730477_100102632555 [0,2,0,0,0,0|2,0,0]=4 6310 B14R0.511 CCCCCCC(=O)N(C)CCC(=O)N 527a_100000730477_100102632555 [0,2,0,0,0,0|2,0,0]=4 6311 B14R0.511 CCCCCCC(=O)[C@H](C)CSC(=O)C 1458a_200015407212_100000210757 [0,2,0,0,0,0|2,0,0]=4 6312 B14R0.511 CCCCCNC(=O)C(C)NCC(=O)N 2230a_100000711301_100000735910 [0,2,0,0,0,0|2,0,0]=4 6313 B14R0.511 CCCCCNC(=O)C(C)NCC(=O)O 269956a_100016091260_100000735910 [0,2,0,0,0,0|1,0,0]=3 6314 B14R0.511 CCCCCNC(=O)C(C)SCC(=O)N 62a_100000735910_100000747473 [0,2,0,0,0,0|2,0,0]=4 6315 B14R0.511 CCCCCNC(=O)C(C)SCC(=O)N 62a_100000747473_100000735910 [0,2,0,0,0,0|2,0,0]=4 6316 B14R0.511 CCCCCNC(=O)C(C)SCC(=O)[O-] 62a_100000735910_100020667443 [0,2,0,0,0,0|1,0,1]=4 6317 B14R0.511 CCCCCNC(=O)C(C)SCC(=O)[O-] 62a_100020667443_100000735910 [0,2,0,0,0,0|1,0,1]=4 6318 B14R0.511 CCCCCNC(=O)N(C)CCC(=O)N 2708a_100000209983_100000730477 [0,2,0,0,0,0|2,0,0]=4 6319 B14R0.511 CCCCCNC(=O)N(C)CCC(=O)N 273464a_100000209983_100000730477 [0,2,0,0,0,0|2,0,0]=4 6320 B14R0.511 CCCCCNC(=O)[C@H](C)CSC(=O)C 11a_100000209983_200015407212 [0,2,0,0,0,0|2,0,0]=4 6321 B14R0.511 CCCCCNC(=O)[C@H](C)CSC(=O)C 1626a_100000209983_200015407212 [0,2,0,0,0,0|2,0,0]=4 6322 B14R0.511 CCCCCNC(=O)[C@H](C)CSC(=O)C 240690a_100000209983_200015407212 [0,2,0,0,0,0|2,0,0]=4 6323 B14R0.511 CCCCCNC(=O)[C@H](C)CSC(=O)C 527a_100000209983_200015407212 [0,2,0,0,0,0|2,0,0]=4 6324 B14R0.511 CCCCOCC(=O)N(C)CCC(=O)N 11a_100000730477_100000757543 [0,2,0,0,0,0|2,0,0]=4 6325 B14R0.511 CCCCOCC(=O)N(C)CCC(=O)N 240690a_100000730477_100000757543 [0,2,0,0,0,0|2,0,0]=4 6326 B14R0.511 CCCCOCC(=O)N(C)CCC(=O)N 527a_100000730477_100000757543 [0,2,0,0,0,0|2,0,0]=4 6327 B14R0.511 CCCCOCC(=O)[C@H](C)CSC(=O)C 1458a_200015407212_100011995733 [0,2,0,0,0,0|2,0,0]=4 6328 B14R0.511 CCCCSCC(=O)N(C)CCC(=O)N 11a_100000730477_100000191162 [0,2,0,0,0,0|2,0,0]=4 6329 B14R0.511 CCCCSCC(=O)N(C)CCC(=O)N 240690a_100000730477_100000191162 [0,2,0,0,0,0|2,0,0]=4 6330 B14R0.511 CCCCSCC(=O)N(C)CCC(=O)N 527a_100000730477_100000191162 [0,2,0,0,0,0|2,0,0]=4 6331 B14R0.511 CCCOCCC(=O)[C@H](C)CSC(=O)C 1458a_200015407212_100011215938 [0,2,0,0,0,0|2,0,0]=4 6332 B14R0.511 CCOCCCC(=O)[C@H](C)CSC(=O)C 1458a_200015407212_100012232248 [0,2,0,0,0,0|2,0,0]=4 6333 B14R0.511 CN(CCC(=O)N)C(=O)CCCCCO 240690a_100000730477_100102619762 [0,2,0,0,0,0|2,0,0]=4 6334 B14R0.511 COCCCCC(=O)[C@H](C)CSC(=O)C 1458a_200015407212_100000755781 [0,2,0,0,0,0|2,0,0]=4 6335 B14R0.511 COCCCNC(=O)C(C)NCC(=O)O 269956a_100016091260_100000735919 [0,2,0,0,0,0|2,0,0]=4 6336 B14R0.241 CCCCNC(=O)C(C)N[C@@H](C)C(=O)O 269956a_100000743915_100000735917 [0,2,0,0,0,0|2,0,0]=4 6337 B14R0.241 CCCCOC(=O)C(C)N[C@@H](C)C(=O)O 269956a_100000743915_100000759602 [0,2,0,0,0,0|2,0,0]=4 6338 B14R0.242 CCCCCC(=O)N(CC)CCC(=O)N 11a_100020645749_100000212188 [0,2,0,0,0,0|2,0,0]=4 6339 B14R0.242 CCCCCC(=O)N(CC)CCC(=O)N 1626a_100020645749_100000212188 [0,2,0,0,0,0|2,0,0]=4 6340 B14R0.242 CCCCCC(=O)N(CC)CCC(=O)N 240690a_100020645749_100000212188 [0,2,0,0,0,0|2,0,0]=4 6341 B14R0.242 CCCCCC(=O)N(CC)CCC(=O)N 527a_100020645749_100000212188 [0,2,0,0,0,0|2,0,0]=4 6342 B14R0.242 CCCCNC(=O)C(CC)NCC(=O)O 269956a_100016091260_200011763471 [0,2,0,0,0,0|2,0,0]=4 6343 B14R0.473 CCCCCC(=O)N(C)CCC(=O)NC 11a_100000750875_100000212188 [0,2,0,0,0,0|2,0,0]=4 6344 B14R0.473 CCCCCC(=O)N(C)CCC(=O)NC 240690a_100000750875_100000212188 [0,2,0,0,0,0|2,0,0]=4 6345 B14R0.473 CCCCCC(=O)N(C)CCC(=O)NC 527a_100000750875_100000212188 [0,2,0,0,0,0|2,0,0]=4 6346 B14R0.473 CCCCCC(=O)N(C)CCC(=O)OC 11a_100025711912_100000212188 [0,2,0,0,0,0|1,0,0]=3 6347 B14R0.473 CCCCCC(=O)N(C)CCC(=O)OC 1626a_100025711912_100000212188 [0,2,0,0,0,0|1,0,0]=3 6348 B14R0.473 CCCCCC(=O)N(C)CCC(=O)OC 240690a_100025711912_100000212188 [0,2,0,0,0,0|1,0,0]=3 6349 B14R0.473 CCCCCC(=O)N(C)CCC(=O)OC 527a_100025711912_100000212188 [0,2,0,0,0,0|1,0,0]=3 6350 B14R0.473 CCCCNC(=O)C(C)SCC(=O)OC 62a_100000735917_100000747449 [0,2,0,0,0,0|2,0,0]=4 6351 B14R0.473 CCCCNC(=O)C(C)SCC(=O)OC 62a_100000747449_100000735917 [0,2,0,0,0,0|2,0,0]=4 6352 B14R0.473 CCCCOC(=O)C(C)OCC(=O)OC 34a_100000038973_100000747449 [0,2,0,0,0,0|2,0,0]=4 6353 B14R0.473 CCCCOC(=O)C(C)OCC(=O)OC 7a_100000038973_100000747449 [0,2,0,0,0,0|2,0,0]=4 6354 B14R0.473 CCCCOC(=O)C(C)SCC(=O)OC 62a_100000747449_100000759602 [0,2,0,0,0,0|2,0,0]=4 6355 B14R0.473 CCCCOC(=O)C(C)SCC(=O)OC 62a_100000759602_100000747449 [0,2,0,0,0,0|2,0,0]=4 6356 B14R0.473 CCCOCC(=O)N(C)CCC(=O)OC 11a_100025711912_100000745993 [0,2,0,0,0,0|2,0,0]=4 6357 B14R0.473 CCCOCC(=O)N(C)CCC(=O)OC 1626a_100025711912_100000745993 [0,2,0,0,0,0|2,0,0]=4 6358 B14R0.473 CCCOCC(=O)N(C)CCC(=O)OC 240690a_100025711912_100000745993 [0,2,0,0,0,0|2,0,0]=4 6359 B14R0.473 CCCOCC(=O)N(C)CCC(=O)OC 527a_100025711912_100000745993 [0,2,0,0,0,0|2,0,0]=4 6360 B14R0.473 CCCSCC(=O)N(C)CCC(=O)OC 11a_100025711912_100000217233 [0,2,0,0,0,0|2,0,0]=4 6361 B14R0.473 CCCSCC(=O)N(C)CCC(=O)OC 1626a_100025711912_100000217233 [0,2,0,0,0,0|2,0,0]=4 6362 B14R0.473 CCCSCC(=O)N(C)CCC(=O)OC 240690a_100025711912_100000217233 [0,2,0,0,0,0|2,0,0]=4 6363 B14R0.473 CCCSCC(=O)N(C)CCC(=O)OC 527a_100025711912_100000217233 [0,2,0,0,0,0|2,0,0]=4 6364 B14R0.473 CCOCCC(=O)N(C)CCC(=O)OC 11a_100025711912_100000749530 [0,2,0,0,0,0|2,0,0]=4 6365 B14R0.473 CCOCCC(=O)N(C)CCC(=O)OC 1626a_100025711912_100000749530 [0,2,0,0,0,0|2,0,0]=4 6366 B14R0.473 CCOCCC(=O)N(C)CCC(=O)OC 240690a_100025711912_100000749530 [0,2,0,0,0,0|2,0,0]=4 6367 B14R0.473 CCOCCC(=O)N(C)CCC(=O)OC 527a_100025711912_100000749530 [0,2,0,0,0,0|2,0,0]=4 6368 B14R0.473 CCSCCC(=O)N(C)CCC(=O)OC 11a_100025711912_100000230768 [0,2,0,0,0,0|2,0,0]=4 6369 B14R0.473 CCSCCC(=O)N(C)CCC(=O)OC 1626a_100025711912_100000230768 [0,2,0,0,0,0|2,0,0]=4 6370 B14R0.473 CCSCCC(=O)N(C)CCC(=O)OC 240690a_100025711912_100000230768 [0,2,0,0,0,0|2,0,0]=4 6371 B14R0.473 CCSCCC(=O)N(C)CCC(=O)OC 527a_100025711912_100000230768 [0,2,0,0,0,0|2,0,0]=4 6372 B14R0.473 COC(=O)CCN(C)C(=O)CCCCO 1626a_100025711912_100000695505 [0,2,0,0,0,0|2,0,0]=4 6373 B14R0.473 COC(=O)CCN(C)C(=O)CCCSC 11a_100025711912_100000173376 [0,2,0,0,0,0|2,0,0]=4 6374 B14R0.473 COC(=O)CCN(C)C(=O)CCCSC 1626a_100025711912_100000173376 [0,2,0,0,0,0|2,0,0]=4 6375 B14R0.473 COC(=O)CCN(C)C(=O)CCCSC 240690a_100025711912_100000173376 [0,2,0,0,0,0|2,0,0]=4 6376 B14R0.473 COC(=O)CCN(C)C(=O)CCCSC 527a_100025711912_100000173376 [0,2,0,0,0,0|2,0,0]=4 6377 B14R0.473 COCCCC(=O)N(C)CCC(=O)OC 11a_100025711912_100000741012 [0,2,0,0,0,0|2,0,0]=4 6378 B14R0.473 COCCCC(=O)N(C)CCC(=O)OC 1626a_100025711912_100000741012 [0,2,0,0,0,0|2,0,0]=4 6379 B14R0.473 COCCCC(=O)N(C)CCC(=O)OC 240690a_100025711912_100000741012 [0,2,0,0,0,0|2,0,0]=4 6380 B14R0.473 COCCCC(=O)N(C)CCC(=O)OC 527a_100025711912_100000741012 [0,2,0,0,0,0|2,0,0]=4 6381 B14R0.1172 CCCC(C)CC(=O)N(C)CCC(=O)N 11a_100000730477_100000748435 [0,2,0,0,0,0|2,0,0]=4 6382 B14R0.1172 CCCC(C)CC(=O)N(C)CCC(=O)N 240690a_100000730477_100000748435 [0,2,0,0,0,0|2,0,0]=4 6383 B14R0.1172 CCCC(C)CC(=O)N(C)CCC(=O)N 527a_100000730477_100000748435 [0,2,0,0,0,0|2,0,0]=4 6384 B14R0.1172 CCCC(C)CC(=O)[C@H](C)CSC(=O)C 1458a_200015407212_100011216630 [0,2,0,0,0,0|2,0,0]=4 6385 B14R0.1172 CCCC(C)NC(=O)C(C)NCC(=O)O 269956a_100016091260_100000735934 [0,2,0,0,0,0|2,0,0]=4 6386 B14R0.1421 CC(=O)NCCC(=O)C(C)CCC(C)C 1458a_100000183196_100011261404 [0,2,0,0,0,0|2,0,0]=4 6387 B14R0.1421 CC(=O)SCCC(=O)C(C)CCC(C)C 1458a_100000048949_100011261404 [0,2,0,0,0,0|2,0,0]=4 6388 B14R0.1421 CC(=O)SC[C@@H](C)C(=O)CCCC(C)C 1458a_200015407212_100011214892 [0,2,0,0,0,0|2,0,0]=4 6389 B14R0.1421 CC(=O)SC[C@@H](C)C(=O)CCCC(C)O 1458a_200015407212_200000718107 [0,2,0,0,0,0|2,0,0]=4 6390 B14R0.1421 CC(C)CCC(C)C(=O)CCC[N+](=O)[O-] 1458a_100016109205_100011261404 [0,2,0,0,0,0|1,0,1]=4 6391 B14R0.1421 CC(C)CCC(C)C(=O)CCNC(=O)N 1458a_100000181464_100011261404 [0,2,0,0,0,0|2,0,0]=4 6392 B14R0.1421 CC(C)CCC(C)C(=O)COCC(=O)N 1458a_100011219004_100011261404 [0,2,0,0,0,0|2,0,0]=4 6393 B14R0.1421 CC(C)CCC(C)N(C)CCCC(=O)O 269956a_100000719178_100011261404 [0,2,0,0,0,0|2,0,0]=4 6394 B14R0.1421 CC(C)CCCC(=O)N(C)CCC(=O)N 11a_100000730477_100011216857 [0,2,0,0,0,0|2,0,0]=4 6395 B14R0.1421 CC(C)CCCC(=O)N(C)CCC(=O)N 240690a_100000730477_100011216857 [0,2,0,0,0,0|2,0,0]=4 6396 B14R0.1421 CC(C)CCCC(=O)N(C)CCC(=O)N 527a_100000730477_100011216857 [0,2,0,0,0,0|2,0,0]=4 6397 B14R0.1421 CC(C)CCNC(=O)C(C)NCC(=O)O 269956a_100016091260_100000735922 [0,2,0,0,0,0|2,0,0]=4 6398 B14R0.1421 CC(O)CCCC(=O)N(C)CCC(=O)N 527a_100000730477_100000761597 [0,2,0,0,0,0|2,0,0]=4 6399 B14R0.1477 CCC(C)CCC(=O)N(C)CCC(=O)N 11a_100000730477_100000701222 [0,2,0,0,0,0|2,0,0]=4 6400 B14R0.1477 CCC(C)CCC(=O)N(C)CCC(=O)N 240690a_100000730477_100000701222 [0,2,0,0,0,0|2,0,0]=4 6401 B14R0.1477 CCC(C)CCC(=O)N(C)CCC(=O)N 527a_100000730477_100000701222 [0,2,0,0,0,0|2,0,0]=4 6402 B14R0.1477 CCC(O)CCC(=O)N(C)CCC(=O)N 240690a_100000730477_203496584001 [0,2,0,0,0,0|2,0,0]=4 6403 B14R0.2380 CCCCNC(=O)C(C)N(C)CC(=O)O 269956a_100000746989_100000735917 [0,2,0,0,0,0|2,0,0]=4 6404 B14R0.2380 CCCCOC(=O)C(C)N(C)CC(=O)O 269956a_100000746989_100000759602 [0,2,0,0,0,0|2,0,0]=4 6405 B14R0.2447 CCCCC(C)C(=O)N(C)CCC(=O)N 11a_100000730477_100000725509 [0,2,0,0,0,0|2,0,0]=4 6406 B14R0.2447 CCCCC(C)C(=O)N(C)CCC(=O)N 240690a_100000730477_100000725509 [0,2,0,0,0,0|2,0,0]=4 6407 B14R0.2447 CCCCC(C)C(=O)N(C)CCC(=O)N 527a_100000730477_100000725509 [0,2,0,0,0,0|2,0,0]=4 6408 B14R0.2447 CCCCC(C)C(=O)[C@H](C)CSC(=O)C 1458a_200015407212_200011215066 [0,2,0,0,0,0|2,0,0]=4 6409 B14R0.2447 CCCCC(O)C(=O)N(C)CCC(=O)N 240690a_100000730477_100000720857 [0,2,0,0,0,0|2,0,0]=4 6410 B14R0.2447 CCCCC(O)C(=O)N(C)CCC(=O)N 527a_100000730477_100000720857 [0,2,0,0,0,0|2,0,0]=4 6411 B14R0.18 C=CC(=O)OCCC(=O)CCC(C)CC 1458a_100000701222_100009813456 [0,2,0,0,0,0|2,0,0]=4 6412 B14R0.18 CCC(=O)NCC(=O)CCCC(=O)OC 1458a_100000194589_100011218270 [0,2,0,0,0,0|1,0,1]=4 6413 B14R0.18 CCC(C)CCC(=O)CCCC(=O)NC 1458a_100000701222_100000741757 [0,2,0,0,0,0|1,0,0]=3 6414 B14R0.18 CCC(C)CCC(=O)CCCC(=O)OC 1458a_100000701222_100011218270 [0,2,0,0,0,0|0,0,0]=2 6415 B14R0.18 CCC(C)CCC(=O)CCOC(=O)NC 1458a_100000701222_200011997002 [0,2,0,0,0,0|2,0,0]=4 6416 B14R0.18 CCC(C)CCC(=O)NCCC(=O)NC 11a_100000738227_100000701222 [0,2,0,0,0,0|2,0,0]=4 6417 B14R0.18 CCC(C)CCC(=O)NCCC(=O)NC 240690a_100000738227_100000701222 [0,2,0,0,0,0|2,0,0]=4 6418 B14R0.18 CCC(C)CCC(=O)NCCC(=O)NC 527a_100000738227_100000701222 [0,2,0,0,0,0|2,0,0]=4 6419 B14R0.18 CCC(C)CCC(=O)NCCC(=O)OC 188690a_100000683876_100000701222 [0,2,0,0,0,0|1,0,0]=3 6420 B14R0.18 CCC(C)CNC(=O)CCCC(=O)OC 11a_100020588543_100000239890 [0,2,0,0,0,0|1,0,0]=3 6421 B14R0.18 CCC(C)CNC(=O)CCCC(=O)OC 1626a_100020588543_100000239890 [0,2,0,0,0,0|1,0,0]=3 6422 B14R0.18 CCC(C)CNC(=O)CCCC(=O)OC 240690a_100020588543_100000239890 [0,2,0,0,0,0|1,0,0]=3 6423 B14R0.18 CCC(C)CNC(=O)CCCC(=O)OC 527a_100020588543_100000239890 [0,2,0,0,0,0|1,0,0]=3 6424 B14R0.18 CCC(C)CNC(=O)CSCC(=O)OC 11a_100020588543_100000191316 [0,2,0,0,0,0|2,0,0]=4 6425 B14R0.18 CCC(C)CNC(=O)CSCC(=O)OC 1626a_100020588543_100000191316 [0,2,0,0,0,0|2,0,0]=4 6426 B14R0.18 CCC(C)CNC(=O)CSCC(=O)OC 240690a_100020588543_100000191316 [0,2,0,0,0,0|2,0,0]=4 6427 B14R0.18 CCC(C)NCC(=O)NCCC(=O)OC 2230a_100000209981_100000230212 [0,2,0,0,0,0|2,0,0]=4 6428 B14R0.18 CCC(C)NNC(=O)CCCC(=O)OC 22a_100000718999_100000239890 [0,2,0,0,0,0|2,0,0]=4 6429 B14R0.18 CCC(C)OCC(=O)NCCC(=O)OC 7a_100000210228_100000230212 [0,2,0,0,0,0|2,0,0]=4 6430 B14R0.18 CCC(C)SCC(=O)NCCC(=O)OC 62a_100000230212_100000758301 [0,2,0,0,0,0|2,0,0]=4 6431 B14R0.18 CCC(C)SCC(=O)NCCC(=O)OC 62a_100000758301_100000230212 [0,2,0,0,0,0|2,0,0]=4 6432 B14R0.18 CCC(O)CCC(=O)NCCC(=O)NC 240690a_100000738227_203496584001 [0,2,0,0,0,0|2,0,0]=4 6433 B14R0.18 CCC(O)CCC(=O)NCCC(=O)OC 188690a_100000683876_203496584001 [0,2,0,0,0,0|1,0,0]=3 6434 B14R0.18 CCC(O)CNC(=O)CCCC(=O)OC 11a_100011218483_100000239890 [0,2,0,0,0,0|1,0,0]=3 6435 B14R0.18 CCC(O)CNC(=O)CCCC(=O)OC 240690a_100011218483_100000239890 [0,2,0,0,0,0|1,0,0]=3 6436 B14R0.18 CCC(O)CNC(=O)CCCC(=O)OC 527a_100011218483_100000239890 [0,2,0,0,0,0|1,0,0]=3 6437 B14R0.18 CCC(O)CNC(=O)CSCC(=O)OC 11a_100011218483_100000191316 [0,2,0,0,0,0|2,0,0]=4 6438 B14R0.18 CCC(O)CNC(=O)CSCC(=O)OC 240690a_100011218483_100000191316 [0,2,0,0,0,0|2,0,0]=4 6439 B14R0.18 CCN(C)CCC(=O)CCCC(=O)NC 1458a_100000755305_100000741757 [0,2,0,0,0,0|2,0,0]=4 6440 B14R0.18 CCN(C)CCC(=O)CCCC(=O)OC 1458a_100000755305_100011218270 [0,2,0,0,0,0|1,0,0]=3 6441 B14R0.18 CCN(C)CCC(=O)NCCC(=O)OC 188690a_100000683876_100000755305 [0,2,0,0,0,0|2,0,0]=4 6442 B14R0.18 CCS(=O)CCC(=O)CCCC(=O)NC 1458a_100011387550_100000741757 [0,2,0,0,0,0|2,0,0]=4 6443 B14R0.18 CCS(=O)CCC(=O)CCCC(=O)OC 1458a_100011387550_100011218270 [0,2,0,0,0,0|1,0,0]=3 6444 B14R0.18 CCS(=O)CCC(=O)NCCC(=O)OC 188690a_100000683876_100011387550 [0,2,0,0,0,0|2,0,0]=4 6445 B14R0.18 CNC(=O)CCC(=O)CCCC(=O)OC 1458a_100011309844_100011218270 [0,2,0,0,0,0|1,0,1]=4 6446 B14R0.18 COC(=O)CCCC(=O)CCC(=O)OC 1458a_100000187943_100011218270 [0,2,0,0,0,0|1,0,1]=4 6447 B14R0.18 COC(=O)CCCC(=O)NCC(C)CO 240690a_100000744482_100000239890 [0,2,0,0,0,0|2,0,0]=4 6448 B14R0.18 COC(=O)CCCC(=O)NCC(C)CO 527a_100000744482_100000239890 [0,2,0,0,0,0|2,0,0]=4 6449 B14R0.18 COC(=O)CCCC(=O)NC[C@@H](C)OC 11a_100020591295_100000239890 [0,2,0,0,0,0|2,0,0]=4 6450 B14R0.18 COC(=O)CCCC(=O)NC[C@@H](C)OC 1626a_100020591295_100000239890 [0,2,0,0,0,0|2,0,0]=4 6451 B14R0.18 COC(=O)CCCC(=O)NC[C@@H](C)OC 240690a_100020591295_100000239890 [0,2,0,0,0,0|2,0,0]=4 6452 B14R0.18 COC(=O)CCCC(=O)NC[C@@H](C)OC 527a_100020591295_100000239890 [0,2,0,0,0,0|2,0,0]=4 6453 B14R0.18 COC(=O)CCCC(=O)NC[C@@H](F)CO 240690a_100015665980_100000239890 [0,2,0,0,0,0|2,0,0]=4 6454 B14R0.18 COC(=O)CCCC(=O)NC[C@@H](F)CO 527a_100015665980_100000239890 [0,2,0,0,0,0|2,0,0]=4 6455 B14R0.18 COC(=O)CCCC(=O)NC[C@H](O)CO 240690a_100020644852_100000239890 [0,2,0,0,0,0|2,0,0]=4 6456 B14R0.18 COC(=O)CCCC(=O)NC[C@H](O)CO 527a_100020644852_100000239890 [0,2,0,0,0,0|2,0,0]=4 6457 B14R0.42 C=CC(=O)OCCC(=O)C(C)CCCC 1458a_100000065099_200011215066 [0,2,0,0,0,0|2,0,0]=4 6458 B14R0.42 C=CC(=O)OCCC(=O)C(C)CCCC 1458a_100000725509_100009813456 [0,2,0,0,0,0|2,0,0]=4 6459 B14R0.42 C=CC(=O)OCCC(=O)C(O)CCCC 1458a_100000720857_100009813456 [0,2,0,0,0,0|2,0,0]=4 6460 B14R0.42 CCC/C=C(\C)/C(=O)CCCC(=O)OC 1458a_200020648666_100011218270 [0,2,0,0,0,0|0,0,2]=4 6461 B14R0.42 CCCCC(C)C(=O)CCCC(=O)NC 1458a_100000725509_100000741757 [0,2,0,0,0,0|1,0,0]=3 6462 B14R0.42 CCCCC(C)C(=O)CCCC(=O)OC 1458a_100000239890_200011215066 [0,2,0,0,0,0|0,0,0]=2 6463 B14R0.42 CCCCC(C)C(=O)CCCC(=O)OC 1458a_100000725509_100011218270 [0,2,0,0,0,0|0,0,0]=2 6464 B14R0.42 CCCCC(C)C(=O)CCCN(C)N=O 1458a_200000076914_200011215066 [0,2,0,0,0,0|2,0,0]=4 6465 B14R0.42 CCCCC(C)C(=O)CCOC(=O)NC 1458a_100000725509_200011997002 [0,2,0,0,0,0|2,0,0]=4 6466 B14R0.42 CCCCC(C)C(=O)CSCC(=O)OC 1458a_100000191316_200011215066 [0,2,0,0,0,0|1,0,0]=3 6467 B14R0.42 CCCCC(C)C(=O)NCCC(=O)NC 11a_100000738227_100000725509 [0,2,0,0,0,0|2,0,0]=4 6468 B14R0.42 CCCCC(C)C(=O)NCCC(=O)NC 240690a_100000738227_100000725509 [0,2,0,0,0,0|2,0,0]=4 6469 B14R0.42 CCCCC(C)C(=O)NCCC(=O)NC 527a_100000738227_100000725509 [0,2,0,0,0,0|2,0,0]=4 6470 B14R0.42 CCCCC(C)C(=O)NCCC(=O)OC 188690a_100000683876_100000725509 [0,2,0,0,0,0|1,0,0]=3 6471 B14R0.42 CCCCC(C)N(C)CCCC(=O)OC 269982a_100000739225_200011215066 [0,2,0,0,0,0|2,0,0]=4 6472 B14R0.42 CCCCC(O)C(=O)CCCC(=O)NC 1458a_100000720857_100000741757 [0,2,0,0,0,0|1,0,0]=3 6473 B14R0.42 CCCCC(O)C(=O)CCCC(=O)OC 1458a_100000720857_100011218270 [0,2,0,0,0,0|0,0,0]=2 6474 B14R0.42 CCCCC(O)C(=O)CCOC(=O)NC 1458a_100000720857_200011997002 [0,2,0,0,0,0|2,0,0]=4 6475 B14R0.42 CCCCC(O)C(=O)NCCC(=O)NC 240690a_100000738227_100000720857 [0,2,0,0,0,0|2,0,0]=4 6476 B14R0.42 CCCCC(O)C(=O)NCCC(=O)NC 527a_100000738227_100000720857 [0,2,0,0,0,0|2,0,0]=4 6477 B14R0.42 CCCCC(O)C(=O)NCCC(=O)OC 188690a_100000683876_100000720857 [0,2,0,0,0,0|1,0,0]=3 6478 B14R0.42 CCCCN(C)C(=O)CCCC(=O)OC 11a_100000207549_100000239890 [0,2,0,0,0,0|1,0,0]=3 6479 B14R0.42 CCCCN(C)C(=O)CCCC(=O)OC 1626a_100000207549_100000239890 [0,2,0,0,0,0|1,0,0]=3 6480 B14R0.42 CCCCN(C)C(=O)CCCC(=O)OC 240690a_100000207549_100000239890 [0,2,0,0,0,0|1,0,0]=3 6481 B14R0.42 CCCCN(C)C(=O)CCCC(=O)OC 527a_100000207549_100000239890 [0,2,0,0,0,0|1,0,0]=3 6482 B14R0.42 CCCCN(C)C(=O)CSCC(=O)OC 11a_100000207549_100000191316 [0,2,0,0,0,0|2,0,0]=4 6483 B14R0.42 CCCCN(C)C(=O)CSCC(=O)OC 1626a_100000207549_100000191316 [0,2,0,0,0,0|2,0,0]=4 6484 B14R0.42 CCCCN(C)C(=O)CSCC(=O)OC 240690a_100000207549_100000191316 [0,2,0,0,0,0|2,0,0]=4 6485 B14R0.42 CCCCN(C)C(=O)CSCC(=O)OC 62a_100000230175_100000747449 [0,2,0,0,0,0|2,0,0]=4 6486 B14R0.42 CCCCN(C)C(=O)CSCC(=O)OC 62a_100000747449_100000230175 [0,2,0,0,0,0|2,0,0]=4 6487 B14R0.42 CCCNC(=O)C(=O)CCCC(=O)OC 1458a_200011297150_100011218270 [0,2,0,0,0,0|1,0,1]=4 6488 B14R0.42 CNC(=O)CCCC(=O)C(O)CCSC 1458a_100000685904_100000741757 [0,2,0,0,0,0|2,0,0]=4 6489 B14R0.42 COC(=O)CCCC(=O)C(O)CCSC 1458a_100000685904_100011218270 [0,2,0,0,0,0|1,0,0]=3 6490 B14R0.42 COC(=O)CCCC(=O)N(C)CCCO 240690a_100000213112_100000239890 [0,2,0,0,0,0|2,0,0]=4 6491 B14R0.42 COC(=O)CCCC(=O)N(C)CCCO 527a_100000213112_100000239890 [0,2,0,0,0,0|2,0,0]=4 6492 B14R0.42 COC(=O)CCCC(=O)N(C)CCSC 11a_100000686725_100000239890 [0,2,0,0,0,0|2,0,0]=4 6493 B14R0.42 COC(=O)CCCC(=O)N(C)CCSC 1626a_100000686725_100000239890 [0,2,0,0,0,0|2,0,0]=4 6494 B14R0.42 COC(=O)CCCC(=O)N(C)CCSC 240690a_100000686725_100000239890 [0,2,0,0,0,0|2,0,0]=4 6495 B14R0.42 COC(=O)CCCC(=O)N(C)CCSC 527a_100000686725_100000239890 [0,2,0,0,0,0|2,0,0]=4 6496 B14R0.42 COC(=O)CCNC(=O)C(O)CCSC 188690a_100000683876_100000685904 [0,2,0,0,0,0|2,0,0]=4 6497 B14R0.42 COCCN(C)C(=O)CCCC(=O)OC 11a_100000743101_100000239890 [0,2,0,0,0,0|2,0,0]=4 6498 B14R0.42 COCCN(C)C(=O)CCCC(=O)OC 1626a_100000743101_100000239890 [0,2,0,0,0,0|2,0,0]=4 6499 B14R0.42 COCCN(C)C(=O)CCCC(=O)OC 240690a_100000743101_100000239890 [0,2,0,0,0,0|2,0,0]=4 6500 B14R0.42 COCCN(C)C(=O)CCCC(=O)OC 527a_100000743101_100000239890 [0,2,0,0,0,0|2,0,0]=4 6501 B14R0.230 C#CCCCC(=O)CC(C)CC(=O)OC 1458a_100000732146_100000731252 [0,2,0,0,0,0|0,0,2]=4 6502 B14R0.230 C=CCCCC(=O)CC(C)CC(=O)OC 1458a_100000732146_100000757094 [0,2,0,0,0,0|0,0,2]=4 6503 B14R0.230 CC/C=C\CC(=O)CC(C)CC(=O)OC 1458a_100000732146_100103147603 [0,2,0,0,0,0|0,0,2]=4 6504 B14R0.230 CCC#CCC(=O)CC(C)CC(=O)OC 1458a_100000732146_100009813939 [0,2,0,0,0,0|0,0,2]=4 6505 B14R0.230 CCCCCC(=O)CC(=O)CC(=O)OC 1458a_100000211351_200012276598 [0,2,0,0,0,0|0,0,1]=3 6506 B14R0.230 CCCCCC(=O)CC(=O)NC(=O)OC 1458a_100000212188_100000010850 [0,2,0,0,0,0|1,0,1]=4 6507 B14R0.230 CCCCCC(=O)CC(C)CC(=O)OC 1458a_100000732146_100000210326 [0,2,0,0,0,0|0,0,0]=2 6508 B14R0.230 CCCCCC(=O)CN(C)CC(=O)NC 2230a_100000189611_200012276598 [0,2,0,0,0,0|2,0,0]=4 6509 B14R0.230 CCCCCC(=O)CN(C)CC(=O)OC 2230a_100000198492_200012276598 [0,2,0,0,0,0|1,0,0]=3 6510 B14R0.230 CCCCCC(=O)N[C@H](C)CC(=O)OC 188690a_100016994721_100000212188 [0,2,0,0,0,0|1,0,0]=3 6511 B14R0.230 CCCCNC(=O)CC(=O)CC(=O)OC 1458a_100000211351_100000182744 [0,2,0,0,0,0|1,0,1]=4 6512 B14R0.230 CCCCNC(=O)CC(C)CC(=O)OC 11a_100000102301_100000732146 [0,2,0,0,0,0|1,0,0]=3 6513 B14R0.230 CCCCNC(=O)CC(C)CC(=O)OC 1626a_100000102301_100000732146 [0,2,0,0,0,0|1,0,0]=3 6514 B14R0.230 CCCCNC(=O)CC(C)CC(=O)OC 240690a_100000102301_100000732146 [0,2,0,0,0,0|1,0,0]=3 6515 B14R0.230 CCCCNC(=O)CC(C)CC(=O)OC 527a_100000102301_100000732146 [0,2,0,0,0,0|1,0,0]=3 6516 B14R0.230 CCCCNC(=O)CN(C)CC(=O)OC 2230a_100000198492_100000182744 [0,2,0,0,0,0|2,0,0]=4 6517 B14R0.230 CCCCNC(=O)CN(C)CC(=O)OC 2230a_200000213093_100000747449 [0,2,0,0,0,0|2,0,0]=4 6518 B14R0.230 CCCCNC(=O)CN(C)CC(=O)OC 269982a_200000213093_100000747449 [0,2,0,0,0,0|2,0,0]=4 6519 B14R0.230 CCCCOC(=O)CC(=O)CC(=O)OC 1458a_100000211351_100000211628 [0,2,0,0,0,0|1,0,1]=4 6520 B14R0.230 CCCCOC(=O)CN(C)CC(=O)OC 2230a_100000198492_100000211628 [0,2,0,0,0,0|2,0,0]=4 6521 B14R0.230 CCCNNC(=O)CC(C)CC(=O)OC 22a_100000740057_100000732146 [0,2,0,0,0,0|2,0,0]=4 6522 B14R0.230 CCCOCC(=O)N[C@H](C)CC(=O)OC 188690a_100016994721_100000745993 [0,2,0,0,0,0|2,0,0]=4 6523 B14R0.230 CCCSCC(=O)N[C@H](C)CC(=O)OC 188690a_100016994721_100000217233 [0,2,0,0,0,0|2,0,0]=4 6524 B14R0.230 CCOCCC(=O)CC(C)CC(=O)OC 1458a_100000732146_100011215890 [0,2,0,0,0,0|1,0,0]=3 6525 B14R0.230 CCOCCC(=O)N[C@H](C)CC(=O)OC 188690a_100016994721_100000749530 [0,2,0,0,0,0|2,0,0]=4 6526 B14R0.230 CCSCCC(=O)CC(C)CC(=O)OC 1458a_100000732146_100000757381 [0,2,0,0,0,0|1,0,0]=3 6527 B14R0.230 CCSCCC(=O)N[C@H](C)CC(=O)OC 188690a_100016994721_100000230768 [0,2,0,0,0,0|2,0,0]=4 6528 B14R0.230 COC(=O)CC(C)CC(=O)CCCC#N 1458a_100000732146_100000211468 [0,2,0,0,0,0|1,0,1]=4 6529 B14R0.230 COC(=O)CC(C)CC(=O)CCCCF 1458a_100000732146_100000729493 [0,2,0,0,0,0|1,0,0]=3 6530 B14R0.230 COC(=O)CC(C)CC(=O)CCCCO 1458a_100000732146_100000210776 [0,2,0,0,0,0|1,0,0]=3 6531 B14R0.230 COC(=O)CC(C)CC(=O)NCCCF 11a_100015189416_100000732146 [0,2,0,0,0,0|2,0,0]=4 6532 B14R0.230 COC(=O)CC(C)CC(=O)NCCCF 1626a_100015189416_100000732146 [0,2,0,0,0,0|2,0,0]=4 6533 B14R0.230 COC(=O)CC(C)CC(=O)NCCCF 240690a_100015189416_100000732146 [0,2,0,0,0,0|2,0,0]=4 6534 B14R0.230 COC(=O)CC(C)CC(=O)NCCCF 527a_100015189416_100000732146 [0,2,0,0,0,0|2,0,0]=4 6535 B14R0.230 COC(=O)CC(C)CC(=O)NCCCO 240690a_100000182051_100000732146 [0,2,0,0,0,0|2,0,0]=4 6536 B14R0.230 COC(=O)CC(C)CC(=O)NCCCO 527a_100000182051_100000732146 [0,2,0,0,0,0|2,0,0]=4 6537 B14R0.230 COC(=O)CC(C)CC(=O)NCCSC 11a_100020590264_100000732146 [0,2,0,0,0,0|2,0,0]=4 6538 B14R0.230 COC(=O)CC(C)CC(=O)NCCSC 1626a_100020590264_100000732146 [0,2,0,0,0,0|2,0,0]=4 6539 B14R0.230 COC(=O)CC(C)CC(=O)NCCSC 240690a_100020590264_100000732146 [0,2,0,0,0,0|2,0,0]=4 6540 B14R0.230 COC(=O)CC(C)CC(=O)NCCSC 527a_100020590264_100000732146 [0,2,0,0,0,0|2,0,0]=4 6541 B14R0.230 COC(=O)C[C@@H](C)NC(=O)CCCCO 188690a_100016994721_100000695505 [0,2,0,0,0,0|2,0,0]=4 6542 B14R0.230 COC(=O)C[C@@H](C)NC(=O)CCCSC 188690a_100016994721_100000173376 [0,2,0,0,0,0|2,0,0]=4 6543 B14R0.230 COCCCC(=O)CC(C)CC(=O)OC 1458a_100000732146_100000740836 [0,2,0,0,0,0|1,0,0]=3 6544 B14R0.230 COCCCC(=O)N[C@H](C)CC(=O)OC 188690a_100016994721_100000741012 [0,2,0,0,0,0|2,0,0]=4 6545 B14R0.230 COCCNC(=O)CC(C)CC(=O)OC 1626a_100000209980_100000732146 [0,2,0,0,0,0|2,0,0]=4 6546 B14R0.230 COCCNC(=O)CC(C)CC(=O)OC 240690a_100000209980_100000732146 [0,2,0,0,0,0|2,0,0]=4 6547 B14R0.230 COCCNC(=O)CC(C)CC(=O)OC 527a_100000209980_100000732146 [0,2,0,0,0,0|2,0,0]=4 6548 B14R0.244 C#CCCCC(=O)CCC(C)C(=O)OC 1458a_100000690238_100000034942 [0,2,0,0,0,0|0,0,2]=4 6549 B14R0.244 C=CCCCC(=O)CCC(C)C(=O)OC 1458a_100000766728_100000034942 [0,2,0,0,0,0|0,0,2]=4 6550 B14R0.244 CC/C=C/CC(=O)CCC(C)C(=O)OC 1458a_100016274230_100000034942 [0,2,0,0,0,0|0,0,2]=4 6551 B14R0.244 CCCC#CC(=O)CCC(C)C(=O)OC 1458a_200011218047_100000034942 [0,2,0,0,0,0|0,0,2]=4 6552 B14R0.244 CCCC=CC(=O)CCC(C)C(=O)OC 1458a_100000212230_100000034942 [0,2,0,0,0,0|0,0,2]=4 6553 B14R0.244 CCCCCC(=O)CCC(C)C(=O)OC 1458a_100000212188_100000034942 [0,2,0,0,0,0|0,0,0]=2 6554 B14R0.244 CCCCCC(=O)CN[C@H](C)C(=O)NC 2230a_100000684985_200012276598 [0,2,0,0,0,0|2,0,0]=4 6555 B14R0.244 CCCCCC(=O)CN[C@H](C)C(=O)NC 34a_100000684985_200012276598 [0,2,0,0,0,0|2,0,0]=4 6556 B14R0.244 CCCCCC(=O)COC(C)C(=O)NN 34a_100000725659_200012276598 [0,2,0,0,0,0|2,0,0]=4 6557 B14R0.244 CCCCCC(=O)COC(C)C(=O)OC 34a_100011215400_200012276598 [0,2,0,0,0,0|1,0,0]=3 6558 B14R0.244 CCCCCC(=O)CSC(C)C(=O)CC 62a_100000742827_200012276598 [0,2,0,0,0,0|2,0,0]=4 6559 B14R0.244 CCCCCC(=O)CSC(C)C(=O)CC 62a_200012276598_100000742827 [0,2,0,0,0,0|2,0,0]=4 6560 B14R0.244 CCCCCC(=O)CSC(C)C(=O)NC 62a_100000209862_200012276598 [0,2,0,0,0,0|2,0,0]=4 6561 B14R0.244 CCCCCC(=O)CSC(C)C(=O)NC 62a_200012276598_100000731044 [0,2,0,0,0,0|2,0,0]=4 6562 B14R0.244 CCCCCC(=O)CSC(C)C(=O)OC 62a_100000211248_200012276598 [0,2,0,0,0,0|1,0,0]=3 6563 B14R0.244 CCCCCC(=O)CSC(C)C(=O)OC 62a_200012276598_100000211248 [0,2,0,0,0,0|1,0,0]=3 6564 B14R0.244 CCCCCC(=O)CSC(F)C(=O)NC 62a_100009813575_200012276598 [0,2,0,0,0,0|2,0,0]=4 6565 B14R0.244 CCCCCC(=O)CSC(F)C(=O)NC 62a_200012276598_100009813575 [0,2,0,0,0,0|2,0,0]=4 6566 B14R0.244 CCCCCC(=O)NCC(C)C(=O)NC 11a_100015187722_100000212188 [0,2,0,0,0,0|2,0,0]=4 6567 B14R0.244 CCCCCC(=O)NCC(C)C(=O)NC 240690a_100015187722_100000212188 [0,2,0,0,0,0|2,0,0]=4 6568 B14R0.244 CCCCCC(=O)NCC(C)C(=O)NC 527a_100015187722_100000212188 [0,2,0,0,0,0|2,0,0]=4 6569 B14R0.244 CCCCCC(=O)NCC(O)C(=O)OC 188690a_100000695228_100000212188 [0,2,0,0,0,0|1,0,0]=3 6570 B14R0.244 CCCCCN(C)CCC(C)C(=O)OC 2230a_100000223495_100000034942 [0,2,0,0,0,0|2,0,0]=4 6571 B14R0.244 CCCCCN(C)CCC(C)C(=O)OC 269982a_100000223495_100000034942 [0,2,0,0,0,0|2,0,0]=4 6572 B14R0.244 CCCCNC(=O)COC(C)C(=O)OC 34a_100011215400_100000182744 [0,2,0,0,0,0|2,0,0]=4 6573 B14R0.244 CCCCNC(=O)CSC(C)C(=O)OC 62a_100000182744_100000211248 [0,2,0,0,0,0|2,0,0]=4 6574 B14R0.244 CCCCNC(=O)CSC(C)C(=O)OC 62a_100000211248_100000182744 [0,2,0,0,0,0|2,0,0]=4 6575 B14R0.244 CCCCOC(=O)COC(C)C(=O)OC 34a_100011215400_100000211628 [0,2,0,0,0,0|2,0,0]=4 6576 B14R0.244 CCCCOC(=O)CSC(C)C(=O)OC 62a_100000211248_100000211628 [0,2,0,0,0,0|2,0,0]=4 6577 B14R0.244 CCCCOC(=O)CSC(C)C(=O)OC 62a_100000211628_100000211248 [0,2,0,0,0,0|2,0,0]=4 6578 B14R0.244 CCCOCC(=O)CCC(C)C(=O)OC 1458a_100000745993_100000034942 [0,2,0,0,0,0|1,0,0]=3 6579 B14R0.244 CCCOCC(=O)NCC(O)C(=O)OC 188690a_100000695228_100000745993 [0,2,0,0,0,0|2,0,0]=4 6580 B14R0.244 CCCSCC(=O)CCC(C)C(=O)OC 1458a_100000217233_100000034942 [0,2,0,0,0,0|1,0,0]=3 6581 B14R0.244 CCCSCC(=O)NCC(O)C(=O)OC 188690a_100000695228_100000217233 [0,2,0,0,0,0|2,0,0]=4 6582 B14R0.244 CCOCCC(=O)CCC(C)C(=O)OC 1458a_100000749530_100000034942 [0,2,0,0,0,0|1,0,0]=3 6583 B14R0.244 CCOCCC(=O)NCC(O)C(=O)OC 188690a_100000695228_100000749530 [0,2,0,0,0,0|2,0,0]=4 6584 B14R0.244 CCSCCC(=O)CCC(C)C(=O)OC 1458a_100000230768_100000034942 [0,2,0,0,0,0|1,0,0]=3 6585 B14R0.244 CCSCCC(=O)NCC(O)C(=O)OC 188690a_100000695228_100000230768 [0,2,0,0,0,0|2,0,0]=4 6586 B14R0.244 COC(=O)C(C)CCC(=O)CCCC#N 1458a_100000075515_100000034942 [0,2,0,0,0,0|1,0,1]=4 6587 B14R0.244 COC(=O)C(C)CCC(=O)CCCCO 1458a_100000695505_100000034942 [0,2,0,0,0,0|1,0,0]=3 6588 B14R0.244 COC(=O)C(C)CCC(=O)CCCSC 1458a_100000173376_100000034942 [0,2,0,0,0,0|1,0,0]=3 6589 B14R0.244 COC(=O)C(C)CCC(=O)COCCO 1458a_100000708028_100000034942 [0,2,0,0,0,0|2,0,0]=4 6590 B14R0.244 COC(=O)C(O)CNC(=O)CCCCO 188690a_100000695228_100000695505 [0,2,0,0,0,0|2,0,0]=4 6591 B14R0.244 COC(=O)C(O)CNC(=O)CCCSC 188690a_100000695228_100000173376 [0,2,0,0,0,0|2,0,0]=4 6592 B14R0.244 COCCCC(=O)CCC(C)C(=O)OC 1458a_100000741012_100000034942 [0,2,0,0,0,0|1,0,0]=3 6593 B14R0.244 COCCCC(=O)NCC(O)C(=O)OC 188690a_100000695228_100000741012 [0,2,0,0,0,0|2,0,0]=4 6594 B14R0.454 CCCCCC(=O)CCCC(OC)OC 1458a_100000212188_100000069011 [0,2,0,0,0,0|0,0,2]=4 6595 B14R0.2432 C#CCCCC(=O)CCCC(=O)OCC 1458a_100000210991_100000731252 [0,2,0,0,0,0|0,0,2]=4 6596 B14R0.2432 C#CCCCC(=O)CCCC(=O)OCC 1458a_100000690238_100011215271 [0,2,0,0,0,0|0,0,2]=4 6597 B14R0.2432 C=CCCCC(=O)CCCC(=O)OCC 1458a_100000210991_100000757094 [0,2,0,0,0,0|0,0,2]=4 6598 B14R0.2432 C=CCCCC(=O)CCCC(=O)OCC 1458a_100000766728_100011215271 [0,2,0,0,0,0|0,0,2]=4 6599 B14R0.2432 C=COC(=O)CSCC(=O)CCCCC 62a_100000036128_200012276598 [0,2,0,0,0,0|1,0,0]=3 6600 B14R0.2432 C=COC(=O)CSCC(=O)CCCCC 62a_200012276598_100000036128 [0,2,0,0,0,0|1,0,0]=3 6601 B14R0.2432 C=COC(=O)CSCC(=O)NCCCC 62a_100000036128_100000182744 [0,2,0,0,0,0|2,0,0]=4 6602 B14R0.2432 C=COC(=O)CSCC(=O)NCCCC 62a_100000182744_100000036128 [0,2,0,0,0,0|2,0,0]=4 6603 B14R0.2432 C=COC(=O)CSCC(=O)OCCCC 62a_100000036128_100000211628 [0,2,0,0,0,0|2,0,0]=4 6604 B14R0.2432 C=COC(=O)CSCC(=O)OCCCC 62a_100000211628_100000036128 [0,2,0,0,0,0|2,0,0]=4 6605 B14R0.2432 CC/C=C/CC(=O)CCCC(=O)OCC 1458a_100016274230_100011215271 [0,2,0,0,0,0|0,0,2]=4 6606 B14R0.2432 CC/C=C\CC(=O)CCCC(=O)OCC 1458a_100000210991_100103147603 [0,2,0,0,0,0|0,0,2]=4 6607 B14R0.2432 CCC#CCC(=O)CCCC(=O)OCC 1458a_100000210991_100009813939 [0,2,0,0,0,0|0,0,2]=4 6608 B14R0.2432 CCCC#CC(=O)CCCC(=O)OCC 1458a_200011218047_100011215271 [0,2,0,0,0,0|0,0,2]=4 6609 B14R0.2432 CCCC=CC(=O)CCCC(=O)OCC 1458a_100000212230_100011215271 [0,2,0,0,0,0|0,0,2]=4 6610 B14R0.2432 CCCCCC(=O)CCCC(=O)NCC 1458a_100000199580_100000210326 [0,2,0,0,0,0|1,0,0]=3 6611 B14R0.2432 CCCCCC(=O)CCCC(=O)OCC 1458a_100000210991_100000210326 [0,2,0,0,0,0|0,0,0]=2 6612 B14R0.2432 CCCCCC(=O)CCCC(=O)OCC 1458a_100000212188_100011215271 [0,2,0,0,0,0|0,0,0]=2 6613 B14R0.2432 CCCCCC(=O)CCNC(=O)OCC 1458a_100000212188_200011445536 [0,2,0,0,0,0|1,0,0]=3 6614 B14R0.2432 CCCCCC(=O)CNCC(=O)NCC 2230a_100016988866_200012276598 [0,2,0,0,0,0|2,0,0]=4 6615 B14R0.2432 CCCCCC(=O)CSCC(=O)CCC 62a_100000747444_200012276598 [0,2,0,0,0,0|2,0,0]=4 6616 B14R0.2432 CCCCCC(=O)CSCC(=O)CCC 62a_200012276598_100000747444 [0,2,0,0,0,0|2,0,0]=4 6617 B14R0.2432 CCCCCC(=O)CSCC(=O)NCC 62a_100000183381_200012276598 [0,2,0,0,0,0|2,0,0]=4 6618 B14R0.2432 CCCCCC(=O)CSCC(=O)NCC 62a_200012276598_100000183381 [0,2,0,0,0,0|2,0,0]=4 6619 B14R0.2432 CCCCCC(=O)CSCC(=O)NCO 62a_100000185155_200012276598 [0,2,0,0,0,0|1,0,0]=3 6620 B14R0.2432 CCCCCC(=O)CSCC(=O)NCO 62a_200012276598_100000185155 [0,2,0,0,0,0|1,0,0]=3 6621 B14R0.2432 CCCCCC(=O)CSCC(=O)OCC 62a_100000188475_200012276598 [0,2,0,0,0,0|1,0,0]=3 6622 B14R0.2432 CCCCCC(=O)CSCC(=O)OCC 62a_200012276598_100000188475 [0,2,0,0,0,0|1,0,0]=3 6623 B14R0.2432 CCCCCC(=O)NCCC(=O)NCC 11a_100025743525_100000212188 [0,2,0,0,0,0|2,0,0]=4 6624 B14R0.2432 CCCCCC(=O)NCCC(=O)NCC 1626a_100025743525_100000212188 [0,2,0,0,0,0|2,0,0]=4 6625 B14R0.2432 CCCCCC(=O)NCCC(=O)NCC 240690a_100025743525_100000212188 [0,2,0,0,0,0|2,0,0]=4 6626 B14R0.2432 CCCCCC(=O)NCCC(=O)NCC 527a_100025743525_100000212188 [0,2,0,0,0,0|2,0,0]=4 6627 B14R0.2432 CCCCCC(=O)NCCC(=O)OCC 188690a_100000746078_100000212188 [0,2,0,0,0,0|1,0,0]=3 6628 B14R0.2432 CCCCCN(C)CCCC(=O)OCC 2230a_100000223495_100009991533 [0,2,0,0,0,0|2,0,0]=4 6629 B14R0.2432 CCCCCN(C)CCCC(=O)OCC 269982a_100000223495_100009991533 [0,2,0,0,0,0|2,0,0]=4 6630 B14R0.2432 CCCCNC(=O)CCCC(=O)NCC 11a_100000102301_100000199580 [0,2,0,0,0,0|2,0,0]=4 6631 B14R0.2432 CCCCNC(=O)CCCC(=O)NCC 1626a_100000102301_100000199580 [0,2,0,0,0,0|2,0,0]=4 6632 B14R0.2432 CCCCNC(=O)CCCC(=O)NCC 240690a_100000102301_100000199580 [0,2,0,0,0,0|2,0,0]=4 6633 B14R0.2432 CCCCNC(=O)CCCC(=O)NCC 527a_100000102301_100000199580 [0,2,0,0,0,0|2,0,0]=4 6634 B14R0.2432 CCCCNC(=O)CCCC(=O)OCC 11a_100000102301_100000210991 [0,2,0,0,0,0|1,0,0]=3 6635 B14R0.2432 CCCCNC(=O)CCCC(=O)OCC 1626a_100000102301_100000210991 [0,2,0,0,0,0|1,0,0]=3 6636 B14R0.2432 CCCCNC(=O)CCCC(=O)OCC 240690a_100000102301_100000210991 [0,2,0,0,0,0|1,0,0]=3 6637 B14R0.2432 CCCCNC(=O)CCCC(=O)OCC 527a_100000102301_100000210991 [0,2,0,0,0,0|1,0,0]=3 6638 B14R0.2432 CCCCNC(=O)CSCC(=O)NCO 62a_100000182744_100000185155 [0,2,0,0,0,0|2,0,0]=4 6639 B14R0.2432 CCCCNC(=O)CSCC(=O)NCO 62a_100000185155_100000182744 [0,2,0,0,0,0|2,0,0]=4 6640 B14R0.2432 CCCCNC(=O)CSCC(=O)OCC 62a_100000182744_100000188475 [0,2,0,0,0,0|2,0,0]=4 6641 B14R0.2432 CCCCNC(=O)CSCC(=O)OCC 62a_100000188475_100000182744 [0,2,0,0,0,0|2,0,0]=4 6642 B14R0.2432 CCCCOC(=O)CSCC(=O)NCO 62a_100000185155_100000211628 [0,2,0,0,0,0|2,0,0]=4 6643 B14R0.2432 CCCCOC(=O)CSCC(=O)NCO 62a_100000211628_100000185155 [0,2,0,0,0,0|2,0,0]=4 6644 B14R0.2432 CCCCOC(=O)CSCC(=O)OCC 62a_100000188475_100000211628 [0,2,0,0,0,0|2,0,0]=4 6645 B14R0.2432 CCCCOC(=O)CSCC(=O)OCC 62a_100000211628_100000188475 [0,2,0,0,0,0|2,0,0]=4 6646 B14R0.2432 CCCNNC(=O)CCCC(=O)OCC 22a_100000740057_100000210991 [0,2,0,0,0,0|2,0,0]=4 6647 B14R0.2432 CCCOCC(=O)CCCC(=O)OCC 1458a_100000745993_100011215271 [0,2,0,0,0,0|1,0,0]=3 6648 B14R0.2432 CCCOCC(=O)CCNC(=O)OCC 1458a_100000745993_200011445536 [0,2,0,0,0,0|2,0,0]=4 6649 B14R0.2432 CCCOCC(=O)NCCC(=O)OCC 188690a_100000746078_100000745993 [0,2,0,0,0,0|2,0,0]=4 6650 B14R0.2432 CCCSCC(=O)CCCC(=O)OCC 1458a_100000217233_100011215271 [0,2,0,0,0,0|1,0,0]=3 6651 B14R0.2432 CCCSCC(=O)CCNC(=O)OCC 1458a_100000217233_200011445536 [0,2,0,0,0,0|2,0,0]=4 6652 B14R0.2432 CCCSCC(=O)NCCC(=O)OCC 188690a_100000746078_100000217233 [0,2,0,0,0,0|2,0,0]=4 6653 B14R0.2432 CCNC(=O)CCCC(=O)CCCCF 1458a_100000199580_100000729493 [0,2,0,0,0,0|2,0,0]=4 6654 B14R0.2432 CCNC(=O)CCCC(=O)CCCCO 1458a_100000199580_100000210776 [0,2,0,0,0,0|2,0,0]=4 6655 B14R0.2432 CCNC(=O)CCCC(=O)CCCOC 1458a_100000199580_100000740836 [0,2,0,0,0,0|2,0,0]=4 6656 B14R0.2432 CCNC(=O)CCCC(=O)CCOCC 1458a_100000199580_100011215890 [0,2,0,0,0,0|2,0,0]=4 6657 B14R0.2432 CCNC(=O)CCCC(=O)CCSCC 1458a_100000199580_100000757381 [0,2,0,0,0,0|2,0,0]=4 6658 B14R0.2432 CCOC(=O)CCCC(=O)CCCC#N 1458a_100000075515_100011215271 [0,2,0,0,0,0|1,0,1]=4 6659 B14R0.2432 CCOC(=O)CCCC(=O)CCCC#N 1458a_100000210991_100000211468 [0,2,0,0,0,0|1,0,1]=4 6660 B14R0.2432 CCOC(=O)CCCC(=O)CCCCF 1458a_100000210991_100000729493 [0,2,0,0,0,0|1,0,0]=3 6661 B14R0.2432 CCOC(=O)CCCC(=O)CCCCO 1458a_100000210991_100000210776 [0,2,0,0,0,0|1,0,0]=3 6662 B14R0.2432 CCOC(=O)CCCC(=O)CCCCO 1458a_100000695505_100011215271 [0,2,0,0,0,0|1,0,0]=3 6663 B14R0.2432 CCOC(=O)CCCC(=O)CCCOC 1458a_100000210991_100000740836 [0,2,0,0,0,0|1,0,0]=3 6664 B14R0.2432 CCOC(=O)CCCC(=O)CCCOC 1458a_100000741012_100011215271 [0,2,0,0,0,0|1,0,0]=3 6665 B14R0.2432 CCOC(=O)CCCC(=O)CCCSC 1458a_100000173376_100011215271 [0,2,0,0,0,0|1,0,0]=3 6666 B14R0.2432 CCOC(=O)CCCC(=O)CCSCC 1458a_100000210991_100000757381 [0,2,0,0,0,0|1,0,0]=3 6667 B14R0.2432 CCOC(=O)CCCC(=O)CCSCC 1458a_100000230768_100011215271 [0,2,0,0,0,0|1,0,0]=3 6668 B14R0.2432 CCOC(=O)CCCC(=O)COCCO 1458a_100000708028_100011215271 [0,2,0,0,0,0|2,0,0]=4 6669 B14R0.2432 CCOC(=O)CCCC(=O)NCCCF 11a_100015189416_100000210991 [0,2,0,0,0,0|2,0,0]=4 6670 B14R0.2432 CCOC(=O)CCCC(=O)NCCCF 1626a_100015189416_100000210991 [0,2,0,0,0,0|2,0,0]=4 6671 B14R0.2432 CCOC(=O)CCCC(=O)NCCCF 240690a_100015189416_100000210991 [0,2,0,0,0,0|2,0,0]=4 6672 B14R0.2432 CCOC(=O)CCCC(=O)NCCCF 527a_100015189416_100000210991 [0,2,0,0,0,0|2,0,0]=4 6673 B14R0.2432 CCOC(=O)CCCC(=O)NCCCO 240690a_100000182051_100000210991 [0,2,0,0,0,0|2,0,0]=4 6674 B14R0.2432 CCOC(=O)CCCC(=O)NCCCO 527a_100000182051_100000210991 [0,2,0,0,0,0|2,0,0]=4 6675 B14R0.2432 CCOC(=O)CCCC(=O)NCCOC 1626a_100000209980_100000210991 [0,2,0,0,0,0|2,0,0]=4 6676 B14R0.2432 CCOC(=O)CCCC(=O)NCCOC 240690a_100000209980_100000210991 [0,2,0,0,0,0|2,0,0]=4 6677 B14R0.2432 CCOC(=O)CCCC(=O)NCCOC 527a_100000209980_100000210991 [0,2,0,0,0,0|2,0,0]=4 6678 B14R0.2432 CCOC(=O)CCCC(=O)NCCSC 11a_100020590264_100000210991 [0,2,0,0,0,0|2,0,0]=4 6679 B14R0.2432 CCOC(=O)CCCC(=O)NCCSC 1626a_100020590264_100000210991 [0,2,0,0,0,0|2,0,0]=4 6680 B14R0.2432 CCOC(=O)CCCC(=O)NCCSC 240690a_100020590264_100000210991 [0,2,0,0,0,0|2,0,0]=4 6681 B14R0.2432 CCOC(=O)CCCC(=O)NCCSC 527a_100020590264_100000210991 [0,2,0,0,0,0|2,0,0]=4 6682 B14R0.2432 CCOC(=O)CCNC(=O)CCCCO 188690a_100000746078_100000695505 [0,2,0,0,0,0|2,0,0]=4 6683 B14R0.2432 CCOC(=O)CCNC(=O)CCCOC 188690a_100000746078_100000741012 [0,2,0,0,0,0|2,0,0]=4 6684 B14R0.2432 CCOC(=O)CCNC(=O)CCCSC 188690a_100000746078_100000173376 [0,2,0,0,0,0|2,0,0]=4 6685 B14R0.2432 CCOC(=O)CCNC(=O)CCSCC 188690a_100000746078_100000230768 [0,2,0,0,0,0|2,0,0]=4 6686 B14R0.2432 CCOC(=O)NCCC(=O)CCCCO 1458a_100000695505_200011445536 [0,2,0,0,0,0|2,0,0]=4 6687 B14R0.2432 CCOC(=O)NCCC(=O)CCCOC 1458a_100000741012_200011445536 [0,2,0,0,0,0|2,0,0]=4 6688 B14R0.2432 CCOC(=O)NCCC(=O)CCCSC 1458a_100000173376_200011445536 [0,2,0,0,0,0|2,0,0]=4 6689 B14R0.2432 CCOC(=O)NCCC(=O)CCSCC 1458a_100000230768_200011445536 [0,2,0,0,0,0|2,0,0]=4 6690 B14R0.2432 CCOCCC(=O)CCCC(=O)OCC 1458a_100000210991_100011215890 [0,2,0,0,0,0|1,0,0]=3 6691 B14R0.2432 CCOCCC(=O)CCCC(=O)OCC 1458a_100000749530_100011215271 [0,2,0,0,0,0|1,0,0]=3 6692 B14R0.2432 CCOCCC(=O)CCNC(=O)OCC 1458a_100000749530_200011445536 [0,2,0,0,0,0|2,0,0]=4 6693 B14R0.2432 CCOCCC(=O)NCCC(=O)OCC 188690a_100000746078_100000749530 [0,2,0,0,0,0|2,0,0]=4 6694 B14R0.2861 C=C(CCC)CC(=O)CCCC(=O)NC 1458a_100000138376_100000741757 [0,2,0,0,0,0|1,0,1]=4 6695 B14R0.2861 C=C(CCC)CC(=O)CCCC(=O)OC 1458a_100000138376_100011218270 [0,2,0,0,0,0|0,0,1]=3 6696 B14R0.2861 C=C(CCC)CC(=O)NCCC(=O)OC 188690a_100000683876_100000138376 [0,2,0,0,0,0|1,0,1]=4 6697 B14R0.2861 C=CC(=O)OCCC(=O)CC(C)CCC 1458a_100000065099_100011216630 [0,2,0,0,0,0|2,0,0]=4 6698 B14R0.2861 C=CC(=O)OCCC(=O)CC(C)CCC 1458a_100000748435_100009813456 [0,2,0,0,0,0|2,0,0]=4 6699 B14R0.2861 CCCC(=CC(=O)CCCC(=O)OC)C 1458a_100020676950_100011218270 [0,2,0,0,0,0|0,0,2]=4 6700 B14R0.2861 CCCC(=O)CC(=O)CCCC(=O)OC 1458a_100000239890_100000747444 [0,2,0,0,0,0|0,0,1]=3 6701 B14R0.2861 CCCC(=O)CC(=O)CSCC(=O)OC 1458a_100000191316_100000747444 [0,2,0,0,0,0|1,0,1]=4 6702 B14R0.2861 CCCC(=O)CC(=O)NCCC(=O)OC 1458a_100000211992_100000230212 [0,2,0,0,0,0|1,0,1]=4 6703 B14R0.2861 CCCC(C)CC(=O)CCCC(=O)NC 1458a_100000748435_100000741757 [0,2,0,0,0,0|1,0,0]=3 6704 B14R0.2861 CCCC(C)CC(=O)CCCC(=O)OC 1458a_100000239890_100011216630 [0,2,0,0,0,0|0,0,0]=2 6705 B14R0.2861 CCCC(C)CC(=O)CCCC(=O)OC 1458a_100000748435_100011218270 [0,2,0,0,0,0|0,0,0]=2 6706 B14R0.2861 CCCC(C)CC(=O)CCCN(C)N=O 1458a_200000076914_100011216630 [0,2,0,0,0,0|2,0,0]=4 6707 B14R0.2861 CCCC(C)CC(=O)CCOC(=O)NC 1458a_100000748435_200011997002 [0,2,0,0,0,0|2,0,0]=4 6708 B14R0.2861 CCCC(C)CC(=O)CSCC(=O)OC 1458a_100000191316_100011216630 [0,2,0,0,0,0|1,0,0]=3 6709 B14R0.2861 CCCC(C)CC(=O)NCCC(=O)NC 11a_100000738227_100000748435 [0,2,0,0,0,0|2,0,0]=4 6710 B14R0.2861 CCCC(C)CC(=O)NCCC(=O)NC 240690a_100000738227_100000748435 [0,2,0,0,0,0|2,0,0]=4 6711 B14R0.2861 CCCC(C)CC(=O)NCCC(=O)NC 527a_100000738227_100000748435 [0,2,0,0,0,0|2,0,0]=4 6712 B14R0.2861 CCCC(C)CC(=O)NCCC(=O)OC 188690a_100000683876_100000748435 [0,2,0,0,0,0|1,0,0]=3 6713 B14R0.2861 CCCC(C)CN(C)CCCC(=O)OC 269982a_100000739225_100011216630 [0,2,0,0,0,0|2,0,0]=4 6714 B14R0.2861 CCCC(C)NC(=O)CCCC(=O)OC 11a_100000741246_100000239890 [0,2,0,0,0,0|1,0,0]=3 6715 B14R0.2861 CCCC(C)NC(=O)CCCC(=O)OC 1626a_100000741246_100000239890 [0,2,0,0,0,0|1,0,0]=3 6716 B14R0.2861 CCCC(C)NC(=O)CCCC(=O)OC 240690a_100000741246_100000239890 [0,2,0,0,0,0|1,0,0]=3 6717 B14R0.2861 CCCC(C)NC(=O)CCCC(=O)OC 527a_100000741246_100000239890 [0,2,0,0,0,0|1,0,0]=3 6718 B14R0.2861 CCCC(C)NC(=O)CSCC(=O)OC 11a_100000741246_100000191316 [0,2,0,0,0,0|2,0,0]=4 6719 B14R0.2861 CCCC(C)NC(=O)CSCC(=O)OC 1626a_100000741246_100000191316 [0,2,0,0,0,0|2,0,0]=4 6720 B14R0.2861 CCCC(C)NC(=O)CSCC(=O)OC 240690a_100000741246_100000191316 [0,2,0,0,0,0|2,0,0]=4 6721 B14R0.2861 CCCN(C)CC(=O)NCCC(=O)OC 2230a_100000747261_100000230212 [0,2,0,0,0,0|2,0,0]=4 6722 B14R0.2861 CCCN(C)CC(=O)NCCC(=O)OC 269982a_100000747261_100000230212 [0,2,0,0,0,0|2,0,0]=4 6723 B14R0.2861 CCCS(=O)CC(=O)CCCC(=O)NC 1458a_100011387404_100000741757 [0,2,0,0,0,0|2,0,0]=4 6724 B14R0.2861 CCCS(=O)CC(=O)CCCC(=O)OC 1458a_100011387404_100011218270 [0,2,0,0,0,0|1,0,0]=3 6725 B14R0.2861 CCCS(=O)CC(=O)NCCC(=O)OC 188690a_100000683876_100011387404 [0,2,0,0,0,0|2,0,0]=4 6726 B14R0.2861 CCNC(=O)CC(=O)CCCC(=O)OC 1458a_100000239890_100000183381 [0,2,0,0,0,0|1,0,1]=4 6727 B14R0.2861 CCOC(=O)CC(=O)CCCC(=O)OC 1458a_100000239890_100000188475 [0,2,0,0,0,0|1,0,1]=4 6728 B14R0.2861 CCOC(=O)CC(=O)CCCC(=O)OC 1458a_100000243816_100011218270 [0,2,0,0,0,0|1,0,1]=4 6729 B14R0.2861 CCSC(C)CC(=O)CCCC(=O)NC 1458a_200011311441_100000741757 [0,2,0,0,0,0|2,0,0]=4 6730 B14R0.2861 CCSC(C)CC(=O)CCCC(=O)OC 1458a_200011311441_100011218270 [0,2,0,0,0,0|1,0,0]=3 6731 B14R0.2861 CCSC(C)CC(=O)NCCC(=O)OC 188690a_100000683876_200011311441 [0,2,0,0,0,0|2,0,0]=4 6732 B14R0.2861 COC(=O)CCCC(=O)N[C@H](C)CCO 240690a_100000706166_100000239890 [0,2,0,0,0,0|2,0,0]=4 6733 B14R0.2861 COC(=O)CCCC(=O)N[C@H](C)CCO 527a_100000706166_100000239890 [0,2,0,0,0,0|2,0,0]=4 6734 B14R0.2861 COC[C@@H](C)NC(=O)CCCC(=O)OC 11a_100000764878_100000239890 [0,2,0,0,0,0|2,0,0]=4 6735 B14R0.2861 COC[C@@H](C)NC(=O)CCCC(=O)OC 1626a_100000764878_100000239890 [0,2,0,0,0,0|2,0,0]=4 6736 B14R0.2861 COC[C@@H](C)NC(=O)CCCC(=O)OC 240690a_100000764878_100000239890 [0,2,0,0,0,0|2,0,0]=4 6737 B14R0.2861 COC[C@@H](C)NC(=O)CCCC(=O)OC 527a_100000764878_100000239890 [0,2,0,0,0,0|2,0,0]=4 6738 B14R0.51 CCCCC(C)C(=O)CCCS(=O)(=O)C 1458a_100000725509_100000754308 [0,2,0,0,0,0|1,0,1]=4 6739 B14R0.51 CCCCC(C)C(=O)CCCS(=O)(=O)N 1458a_100000725509_100000750626 [0,2,0,0,0,0|1,0,1]=4 6740 B14R0.51 CCCCC(C)C(=O)CCCS(=O)(=O)N 1458a_100000739357_200011215066 [0,2,0,0,0,0|1,0,1]=4 6741 B14R0.51 CCCCC(C)C(=O)CCCS(=O)(=O)[O-] 1458a_100000725509_100009813499 [0,2,0,0,0,0|1,0,1]=4 6742 B14R0.51 CCCCC(O)C(=O)CCCS(=O)(=O)C 1458a_100000720857_100000754308 [0,2,0,0,0,0|1,0,1]=4 6743 B14R0.51 CCCCC(O)C(=O)CCCS(=O)(=O)N 1458a_100000720857_100000750626 [0,2,0,0,0,0|1,0,1]=4 6744 B14R0.51 CCCCC(O)C(=O)CCCS(=O)(=O)[O-] 1458a_100000720857_100009813499 [0,2,0,0,0,0|1,0,1]=4 6745 B14R0.243 CCCCCC(=O)CC(O)CS(=O)(=O)[O-] 1458a_100000212188_100016993520 [0,2,0,0,0,0|1,0,1]=4 6746 B14R0.423 CCCC(C)CC(=O)CCCS(=O)(=O)C 1458a_100000748435_100000754308 [0,2,0,0,0,0|1,0,1]=4 6747 B14R0.423 CCCC(C)CC(=O)CCCS(=O)(=O)N 1458a_100000739357_100011216630 [0,2,0,0,0,0|1,0,1]=4 6748 B14R0.423 CCCC(C)CC(=O)CCCS(=O)(=O)N 1458a_100000748435_100000750626 [0,2,0,0,0,0|1,0,1]=4 6749 B14R0.423 CCCC(C)CC(=O)CCCS(=O)(=O)[O-] 1458a_100000748435_100009813499 [0,2,0,0,0,0|1,0,1]=4 6750 B14R0.1752 CCC(C)CCC(=O)CCCS(=O)(=O)C 1458a_100000701222_100000754308 [0,2,0,0,0,0|1,0,1]=4 6751 B14R0.1752 CCC(C)CCC(=O)CCCS(=O)(=O)N 1458a_100000701222_100000750626 [0,2,0,0,0,0|1,0,1]=4 6752 B14R0.1752 CCC(C)CCC(=O)CCCS(=O)(=O)[O-] 1458a_100000701222_100009813499 [0,2,0,0,0,0|1,0,1]=4 6753 B14R0.2691 CC(=O)CCCC(=O)CCCC(F)(F)F 1458a_100000764234_100011215641 [0,2,0,0,0,0|2,0,0]=4 6754 B14R0.2691 CC(=O)CCCC(=O)CCC[N+](C)(C)C 1458a_100000085584_100011215641 [0,2,0,0,0,0|2,0,0]=4 6755 B14R0.2691 CC(C)CCCC(=O)CCCS(=O)(=O)C 1458a_100011216857_100000754308 [0,2,0,0,0,0|1,0,1]=4 6756 B14R0.2691 CC(C)CCCC(=O)CCCS(=O)(=O)N 1458a_100000739357_100011214892 [0,2,0,0,0,0|1,0,1]=4 6757 B14R0.2691 CC(C)CCCC(=O)CCCS(=O)(=O)N 1458a_100011216857_100000750626 [0,2,0,0,0,0|1,0,1]=4 6758 B14R0.2691 CC(C)CCCC(=O)CCCS(=O)(=O)[O-] 1458a_100011216857_100009813499 [0,2,0,0,0,0|1,0,1]=4 6759 B14R0.2691 CC(O)CCCC(=O)CCCS(=O)(=O)N 1458a_100000739357_200000718107 [0,2,0,0,0,0|1,0,1]=4 6760 B14R0.2691 CN(CCCC(=O)O)CCCC(C)(C)O 269956a_100000719178_100009888830 [0,2,0,0,0,0|2,0,0]=4 6761 B14R0.2691 C[N+](C)(C)CCCC(=O)CCCC(=O)N 1458a_100000085584_100102525003 [0,2,0,0,0,0|2,0,0]=4 6762 B14R0.2691 NC(=O)CCCC(=O)CCCC(F)(F)F 1458a_100000764234_100102525003 [0,2,0,0,0,0|2,0,0]=4 6763 B14R0.119 CCCC(C)CC(=O)CCN(C)C(=O)C 1458a_100011216537_100011216630 [0,2,0,0,0,0|2,0,0]=4 6764 B14R0.642 CCN(C)C(C)CC(=O)CCCC(=O)C 1458a_200015187196_100011215641 [0,2,0,0,0,0|2,0,0]=4 6765 B14R0.642 CCN(C)C(C)CC(=O)CCCC(=O)N 1458a_200015187196_100102525003 [0,2,0,0,0,0|2,0,0]=4 6766 B14R0.1576 CCCC(C)(O)CC(=O)CCCC(=O)C 1458a_100011667670_100011215641 [0,2,0,0,0,0|1,0,0]=3 6767 B14R0.1576 CCCC(C)(O)CC(=O)CCCC(=O)N 1458a_100011667670_100102525003 [0,2,0,0,0,0|1,0,0]=3 6768 B14R0.1576 CCCC(C)(O)CC(=O)CCCC(C)O 1458a_100011667670_200000718107 [0,2,0,0,0,0|1,0,1]=4 6769 B14R0.1576 CCCC(C)(O)CC(=O)CCNC(=O)C 1458a_100011667670_100000189650 [0,2,0,0,0,0|2,0,0]=4 6770 B14R0.1576 CCCC(C)(O)CC(=O)CCNC(=O)N 1458a_100011667670_200000034859 [0,2,0,0,0,0|2,0,0]=4 6771 B14R0.1576 CCCC(C)(O)CC(=O)CCOC(=O)C 1458a_100011667670_100009814007 [0,2,0,0,0,0|2,0,0]=4 6772 B14R0.1576 CCCC(C)(O)CC(=O)CCOC(=O)N 1458a_100011667670_200011214921 [0,2,0,0,0,0|2,0,0]=4 6773 B14R0.1576 CCCC(C)(O)CC(=O)NCCC(=O)N 240690a_100000740010_100011667670 [0,2,0,0,0,0|2,0,0]=4 6774 B14R0.1576 CCCC(C)(O)CC(=O)NCCC(=O)N 527a_100000740010_100011667670 [0,2,0,0,0,0|2,0,0]=4 6775 B14R0.44 CCCCN(C)C(=O)CN(C)CC(=O)O 269956a_100000746989_100000230175 [0,2,0,0,0,0|2,0,0]=4 6776 B14R0.524 CCCCCC(=O)CN(CC)CC(=O)O 269956a_100000746405_200012276598 [0,2,0,0,0,0|1,0,0]=3 6777 B14R0.524 CCCCCC(=O)CN(CO)CC(=O)[O-] 269956a_100016989150_200012276598 [0,2,0,0,0,0|1,0,1]=4 6778 B14R0.524 CCCCNC(=O)CN(CC)CC(=O)O 269956a_100000746405_100000182744 [0,2,0,0,0,0|2,0,0]=4 6779 B14R0.524 CCCCOC(=O)CN(CC)CC(=O)O 269956a_100000746405_100000211628 [0,2,0,0,0,0|2,0,0]=4 6780 B14R0.526 CCCCCC(=O)CN(C)C(C)C(=O)O 269956a_100000749554_200012276598 [0,2,0,0,0,0|1,0,0]=3 6781 B14R0.526 CCCCNC(=O)CN(C)C(C)C(=O)O 269956a_100000749554_100000182744 [0,2,0,0,0,0|2,0,0]=4 6782 B14R0.526 CCCCOC(=O)CN(C)C(C)C(=O)O 269956a_100000749554_100000211628 [0,2,0,0,0,0|2,0,0]=4 6783 B14R0.1440 CCCCCC(=O)NC(C)(C)CC(=O)N 11a_100000763158_100000212188 [0,2,0,0,0,0|2,0,0]=4 6784 B14R0.1440 CCCCCC(=O)NC(C)(C)CC(=O)N 1626a_100000763158_100000212188 [0,2,0,0,0,0|2,0,0]=4 6785 B14R0.1440 CCCCCC(=O)NC(C)(C)CC(=O)N 240690a_100000763158_100000212188 [0,2,0,0,0,0|2,0,0]=4 6786 B14R0.1440 CCCCCC(=O)NC(C)(C)CC(=O)N 527a_100000763158_100000212188 [0,2,0,0,0,0|2,0,0]=4 6787 B14R0.222 CC(=O)CCCC(=O)CCN(C)C(C)C 1458a_100015184040_100011215641 [0,2,0,0,0,0|2,0,0]=4 6788 B14R0.222 CC(=O)N(C)CCC(=O)CCCC(C)C 1458a_100011216537_100011214892 [0,2,0,0,0,0|2,0,0]=4 6789 B14R0.222 CC(=O)N(C)CCC(=O)CCCC(C)O 1458a_100011216537_200000718107 [0,2,0,0,0,0|2,0,0]=4 6790 B14R0.222 CC(C)N(C)CCC(=O)CCCC(=O)N 1458a_100015184040_100102525003 [0,2,0,0,0,0|2,0,0]=4 6791 B14R0.396 CCCCC(C)C(=O)CCN(C)C(=O)C 1458a_100011216537_200011215066 [0,2,0,0,0,0|2,0,0]=4 6792 B14R0.396 CCCCN(C)C(=O)CN[C@@H](C)C(=O)O 269956a_100000743915_100000230175 [0,2,0,0,0,0|2,0,0]=4 6793 B14R0.455 CCCCCC(=O)CNC(C)(C)C(=O)N 2230a_100000743658_200012276598 [0,2,0,0,0,0|2,0,0]=4 6794 B14R0.455 CCCCCC(=O)CNC(C)(C)C(=O)N 34a_100000743658_200012276598 [0,2,0,0,0,0|2,0,0]=4 6795 B14R0.455 CCCCCC(=O)COC(C)(C)C(=O)C 34a_100000747739_200012276598 [0,2,0,0,0,0|2,0,0]=4 6796 B14R0.455 CCCCCC(=O)COC(C)(C)C(=O)C 7a_100000747739_200012276598 [0,2,0,0,0,0|2,0,0]=4 6797 B14R0.455 CCCCCC(=O)COC(C)(C)C(=O)N 34a_100011626353_200012276598 [0,2,0,0,0,0|2,0,0]=4 6798 B14R0.455 CCCCCC(=O)COC(C)(C)C(=O)N 7a_100011626353_200012276598 [0,2,0,0,0,0|2,0,0]=4 6799 B14R0.455 CCCCCC(=O)CSC(C)(C)C(=O)C 62a_100000075568_200012276598 [0,2,0,0,0,0|2,0,0]=4 6800 B14R0.455 CCCCCC(=O)CSC(C)(C)C(=O)C 62a_200012276598_100000075568 [0,2,0,0,0,0|2,0,0]=4 6801 B14R0.455 CCCCCC(=O)CSC(C)(C)C(=O)N 62a_100000702505_200012276598 [0,2,0,0,0,0|2,0,0]=4 6802 B14R0.455 CCCCCC(=O)CSC(C)(C)C(=O)N 62a_200012276598_100000702505 [0,2,0,0,0,0|2,0,0]=4 6803 B14R0.455 CCCCCC(=O)CSC(F)(F)C(=O)N 62a_100009811971_200012276598 [0,2,0,0,0,0|2,0,0]=4 6804 B14R0.455 CCCCCC(=O)CSC(F)(F)C(=O)N 62a_200012276598_100009811971 [0,2,0,0,0,0|2,0,0]=4 6805 B14R0.455 CCCCCC(=O)CSC(F)(F)C(=O)[O-] 62a_100000745680_200012276598 [0,2,0,0,0,0|1,0,1]=4 6806 B14R0.455 CCCCCC(=O)CSC(F)(F)C(=O)[O-] 62a_200012276598_100000745680 [0,2,0,0,0,0|1,0,1]=4 6807 B14R0.455 CCCCCC(=O)NCC(C)(C)C(=O)N 11a_100000740840_100000212188 [0,2,0,0,0,0|2,0,0]=4 6808 B14R0.455 CCCCCC(=O)NCC(C)(C)C(=O)N 1626a_100000740840_100000212188 [0,2,0,0,0,0|2,0,0]=4 6809 B14R0.455 CCCCCC(=O)NCC(C)(C)C(=O)N 240690a_100000740840_100000212188 [0,2,0,0,0,0|2,0,0]=4 6810 B14R0.455 CCCCCC(=O)NCC(C)(C)C(=O)N 527a_100000740840_100000212188 [0,2,0,0,0,0|2,0,0]=4 6811 B14R0.523 C=C[C@H](NCC(=O)CCCCC)C(=O)O 269956a_100016992060_200012276598 [0,2,0,0,0,0|1,0,0]=3 6812 B14R0.523 C=C[C@H](NCC(=O)NCCCC)C(=O)O 269956a_100016992060_100000182744 [0,2,0,0,0,0|2,0,0]=4 6813 B14R0.523 C=C[C@H](NCC(=O)OCCCC)C(=O)O 269956a_100016992060_100000211628 [0,2,0,0,0,0|2,0,0]=4 6814 B14R0.523 CCCCCC(=O)CNC(C#N)C(=O)N 2230a_100000039599_200012276598 [0,2,0,0,0,0|2,0,0]=4 6815 B14R0.523 CCCCCC(=O)CNC(CC)C(=O)N 2230a_100000733705_200012276598 [0,2,0,0,0,0|2,0,0]=4 6816 B14R0.523 CCCCCC(=O)CNC(CC)C(=O)N 34a_100000733705_200012276598 [0,2,0,0,0,0|2,0,0]=4 6817 B14R0.523 CCCCCC(=O)CNC(CO)C(=O)O 269956a_100000187304_200012276598 [0,2,0,0,0,0|1,0,0]=3 6818 B14R0.523 CCCCCC(=O)CN[C@@H](CO)C(=O)N 2230a_100000729942_200012276598 [0,2,0,0,0,0|2,0,0]=4 6819 B14R0.523 CCCCCC(=O)CN[C@@H](CO)C(=O)N 34a_100000729942_200012276598 [0,2,0,0,0,0|2,0,0]=4 6820 B14R0.523 CCCCCC(=O)CN[C@H](CC)C(=O)O 269956a_100000747097_200012276598 [0,2,0,0,0,0|1,0,0]=3 6821 B14R0.523 CCCCCC(=O)CSC(CC)C(=O)N 62a_100000750255_200012276598 [0,2,0,0,0,0|2,0,0]=4 6822 B14R0.523 CCCCCC(=O)CSC(CC)C(=O)N 62a_200012276598_100000750255 [0,2,0,0,0,0|2,0,0]=4 6823 B14R0.523 CCCCNC(=O)CNC(CO)C(=O)O 269956a_100000187304_100000182744 [0,2,0,0,0,0|2,0,0]=4 6824 B14R0.523 CCCCNC(=O)CN[C@H](CC)C(=O)O 269956a_100000747097_100000182744 [0,2,0,0,0,0|2,0,0]=4 6825 B14R0.523 CCCCOC(=O)CNC(CO)C(=O)O 269956a_100000187304_100000211628 [0,2,0,0,0,0|2,0,0]=4 6826 B14R0.523 CCCCOC(=O)CN[C@H](CC)C(=O)O 269956a_100000747097_100000211628 [0,2,0,0,0,0|2,0,0]=4 6827 B14R0.254 CCN(C)CC(C)C(=O)CCCC(=O)C 1458a_200015185930_100011215641 [0,2,0,0,0,0|2,0,0]=4 6828 B14R0.254 CCN(C)CC(C)C(=O)CCCC(=O)N 1458a_200015185930_100102525003 [0,2,0,0,0,0|2,0,0]=4 6829 B14R0.647 CCCCC(C)(C)C(=O)CCCC(=O)C 1458a_100011216040_100011215641 [0,2,0,0,0,0|1,0,0]=3 6830 B14R0.647 CCCCC(C)(C)C(=O)CCCC(=O)N 1458a_100011216040_100102525003 [0,2,0,0,0,0|1,0,0]=3 6831 B14R0.647 CCCCC(C)(C)C(=O)CCCC(C)O 1458a_100011216040_200000718107 [0,2,0,0,0,0|1,0,1]=4 6832 B14R0.647 CCCCC(C)(C)C(=O)CCNC(=O)C 1458a_100011216040_100000189650 [0,2,0,0,0,0|2,0,0]=4 6833 B14R0.647 CCCCC(C)(C)C(=O)CCNC(=O)N 1458a_100011216040_200000034859 [0,2,0,0,0,0|2,0,0]=4 6834 B14R0.647 CCCCC(C)(C)C(=O)CCOC(=O)C 1458a_100011216040_100009814007 [0,2,0,0,0,0|2,0,0]=4 6835 B14R0.647 CCCCC(C)(C)C(=O)CCOC(=O)N 1458a_100011216040_200011214921 [0,2,0,0,0,0|2,0,0]=4 6836 B14R0.647 CCCCC(C)(C)C(=O)NCCC(=O)N 11a_100000740010_100011216040 [0,2,0,0,0,0|2,0,0]=4 6837 B14R0.647 CCCCC(C)(C)C(=O)NCCC(=O)N 240690a_100000740010_100011216040 [0,2,0,0,0,0|2,0,0]=4 6838 B14R0.647 CCCCC(C)(C)C(=O)NCCC(=O)N 527a_100000740010_100011216040 [0,2,0,0,0,0|2,0,0]=4 6839 B14R0.647 CCCCC(C)(O)C(=O)CCCC(=O)C 1458a_100000137666_100011215641 [0,2,0,0,0,0|1,0,0]=3 6840 B14R0.647 CCCCC(C)(O)C(=O)CCCC(=O)N 1458a_100000137666_100102525003 [0,2,0,0,0,0|1,0,0]=3 6841 B14R0.647 CCCCC(C)(O)C(=O)CCCC(C)O 1458a_100000137666_200000718107 [0,2,0,0,0,0|1,0,1]=4 6842 B14R0.647 CCCCC(C)(O)C(=O)CCNC(=O)C 1458a_100000137666_100000189650 [0,2,0,0,0,0|2,0,0]=4 6843 B14R0.647 CCCCC(C)(O)C(=O)CCNC(=O)N 1458a_100000137666_200000034859 [0,2,0,0,0,0|2,0,0]=4 6844 B14R0.647 CCCCC(C)(O)C(=O)CCOC(=O)C 1458a_100000137666_100009814007 [0,2,0,0,0,0|2,0,0]=4 6845 B14R0.647 CCCCC(C)(O)C(=O)CCOC(=O)N 1458a_100000137666_200011214921 [0,2,0,0,0,0|2,0,0]=4 6846 B14R0.647 CCCCC(C)(O)C(=O)NCCC(=O)N 240690a_100000740010_100000137666 [0,2,0,0,0,0|2,0,0]=4 6847 B14R0.647 CCCCC(F)(F)C(=O)CCCC(=O)C 1458a_100000100317_100011215641 [0,2,0,0,0,0|1,0,0]=3 6848 B14R0.647 CCCCC(F)(F)C(=O)CCCC(=O)N 1458a_100000100317_100102525003 [0,2,0,0,0,0|1,0,0]=3 6849 B14R0.647 CCCCC(F)(F)C(=O)CCCC(C)O 1458a_100000100317_200000718107 [0,2,0,0,0,0|1,0,1]=4 6850 B14R0.647 CCCCC(F)(F)C(=O)CCNC(=O)C 1458a_100000100317_100000189650 [0,2,0,0,0,0|2,0,0]=4 6851 B14R0.647 CCCCC(F)(F)C(=O)CCNC(=O)N 1458a_100000100317_200000034859 [0,2,0,0,0,0|2,0,0]=4 6852 B14R0.647 CCCCC(F)(F)C(=O)CCOC(=O)C 1458a_100000100317_100009814007 [0,2,0,0,0,0|2,0,0]=4 6853 B14R0.647 CCCCC(F)(F)C(=O)CCOC(=O)N 1458a_100000100317_200011214921 [0,2,0,0,0,0|2,0,0]=4 6854 B14R0.647 CCCCC(F)(F)C(=O)NCCC(=O)N 11a_100000740010_100000100317 [0,2,0,0,0,0|2,0,0]=4 6855 B14R0.647 CCCCC(F)(F)C(=O)NCCC(=O)N 240690a_100000740010_100000100317 [0,2,0,0,0,0|2,0,0]=4 6856 B14R0.647 CCCCC(F)(F)C(=O)NCCC(=O)N 527a_100000740010_100000100317 [0,2,0,0,0,0|2,0,0]=4 6857 B14R0.2905 CCCCC(CC)C(=O)CCCC(=O)C 1458a_100000211130_100011215641 [0,2,0,0,0,0|1,0,0]=3 6858 B14R0.2905 CCCCC(CC)C(=O)CCCC(=O)N 1458a_100000211130_100102525003 [0,2,0,0,0,0|1,0,0]=3 6859 B14R0.2905 CCCCC(CC)C(=O)CCCC(C)O 1458a_100000211130_200000718107 [0,2,0,0,0,0|1,0,1]=4 6860 B14R0.2905 CCCCC(CC)C(=O)CCC[N+](=O)[O-] 1458a_100016109205_200011216223 [0,2,0,0,0,0|1,0,1]=4 6861 B14R0.2905 CCCCC(CC)C(=O)CCNC(=O)C 1458a_100000183196_200011216223 [0,2,0,0,0,0|2,0,0]=4 6862 B14R0.2905 CCCCC(CC)C(=O)CCNC(=O)C 1458a_100000211130_100000189650 [0,2,0,0,0,0|2,0,0]=4 6863 B14R0.2905 CCCCC(CC)C(=O)CCNC(=O)N 1458a_100000181464_200011216223 [0,2,0,0,0,0|2,0,0]=4 6864 B14R0.2905 CCCCC(CC)C(=O)CCNC(=O)N 1458a_100000211130_200000034859 [0,2,0,0,0,0|2,0,0]=4 6865 B14R0.2905 CCCCC(CC)C(=O)CCOC(=O)C 1458a_100000211130_100009814007 [0,2,0,0,0,0|2,0,0]=4 6866 B14R0.2905 CCCCC(CC)C(=O)CCOC(=O)N 1458a_100000211130_200011214921 [0,2,0,0,0,0|2,0,0]=4 6867 B14R0.2905 CCCCC(CC)C(=O)CCSC(=O)C 1458a_100000048949_200011216223 [0,2,0,0,0,0|2,0,0]=4 6868 B14R0.2905 CCCCC(CC)C(=O)COCC(=O)N 1458a_100011219004_200011216223 [0,2,0,0,0,0|2,0,0]=4 6869 B14R0.2905 CCCCC(CC)C(=O)NCCC(=O)N 11a_100000740010_100000211130 [0,2,0,0,0,0|2,0,0]=4 6870 B14R0.2905 CCCCC(CC)C(=O)NCCC(=O)N 240690a_100000740010_100000211130 [0,2,0,0,0,0|2,0,0]=4 6871 B14R0.2905 CCCCC(CC)C(=O)NCCC(=O)N 527a_100000740010_100000211130 [0,2,0,0,0,0|2,0,0]=4 6872 B14R0.2905 CCCCC(CC)N(C)CCCC(=O)O 269956a_100000719178_200011216223 [0,2,0,0,0,0|2,0,0]=4 6873 B14R0.2905 CCCCN(CC)C(=O)CNCC(=O)O 269956a_100016091260_100000230192 [0,2,0,0,0,0|2,0,0]=4 6874 B14R0.63 CCC(CC)OCC(=O)CCCC(=O)C 1458a_100012002705_100011215641 [0,2,0,0,0,0|2,0,0]=4 6875 B14R0.63 CCC(CC)OCC(=O)CCCC(=O)N 1458a_100012002705_100102525003 [0,2,0,0,0,0|2,0,0]=4 6876 B14R0.63 CCN(CC)CCC(=O)CCCC(=O)C 1458a_100000750416_100011215641 [0,2,0,0,0,0|2,0,0]=4 6877 B14R0.63 CCN(CC)CCC(=O)CCCC(=O)N 1458a_100000750416_100102525003 [0,2,0,0,0,0|2,0,0]=4 6878 B14R0.63 COC(CCC(=O)CCCC(=O)C)OC 1458a_200000082759_100011215641 [0,2,0,0,0,0|2,0,0]=4 6879 B14R0.63 COC(CCC(=O)CCCC(=O)N)OC 1458a_200000082759_100102525003 [0,2,0,0,0,0|2,0,0]=4 6880 B12R1.18 C=CCSC1CCCCCC1=O 62a_100000210623_100000243696 [1,0,0,1,0,0|2,0,0]=4 6881 B12R1.18 C=CCSC1CCCCCC1=O 62a_100000243696_100000210623 [1,0,0,1,0,0|2,0,0]=4 6882 B12R1.18 O=C1CCCCCC1SCCO 62a_100000211926_100000243696 [1,0,0,1,0,0|1,0,1]=4 6883 B12R1.18 O=C1CCCCCC1SCCO 62a_100000243696_100000211926 [1,0,0,1,0,0|1,0,1]=4 6884 B12R1.18 O=CCNC1CCCCNC1=O 2230a_100000698827_200015260668 [1,0,0,1,0,0|2,0,0]=4 6885 B12R1.18 O=CCNC1CCCCNC1=O 34a_100000698827_200009817547 [1,0,0,1,0,0|2,0,0]=4 6886 B12R1.18 O=CCSC1CCCCCC1=O 62a_100000243696_200015260668 [1,0,0,1,0,0|1,0,0]=3 6887 B12R1.18 O=CCSC1CCCCCC1=O 62a_200015260668_100000243696 [1,0,0,1,0,0|1,0,0]=3 6888 B12R1.18 O=CCSC1CCCCNC1=O 62a_100000735217_200015260668 [1,0,0,1,0,0|2,0,0]=4 6889 B12R1.18 O=CCSC1CCCCNC1=O 62a_200015260668_100000735217 [1,0,0,1,0,0|2,0,0]=4 6890 B12R1.28 C[C@H]1CCCN(C1)CCCC=O 2230a_100000717927_200011292268 [1,0,0,1,0,0|2,0,0]=4 6891 B12R1.28 C[C@H]1CCCN(C1)CCCC=O 269982a_100000717927_200011292268 [1,0,0,1,0,0|2,0,0]=4 6892 B12R1.35 C#CCCCC(=O)C1CCCC1 1458a_100000210718_100000731252 [1,0,0,1,0,0|1,0,1]=4 6893 B12R1.35 C#CCCCC(=O)C1CCCC1 1458a_100000690238_100000179811 [1,0,0,1,0,0|1,0,1]=4 6894 B12R1.35 C=CCCCC(=O)C1CCCC1 1458a_100000210718_100000757094 [1,0,0,1,0,0|1,0,0]=3 6895 B12R1.35 C=CCCCC(=O)C1CCCC1 1458a_100000766728_100000179811 [1,0,0,1,0,0|1,0,0]=3 6896 B12R1.35 C=CCCCC(=O)C1CCCS1 1458a_100012002731_100000757094 [1,0,0,1,0,0|2,0,0]=4 6897 B12R1.35 C=CCCCC(=O)C1CCOC1 1458a_100000766728_100000690089 [1,0,0,1,0,0|2,0,0]=4 6898 B12R1.35 C=CCCCC(=O)C1CCOC1 1458a_100011219752_100000757094 [1,0,0,1,0,0|2,0,0]=4 6899 B12R1.35 C=CCCCC(=O)N1CCCC1 240690a_100000188435_100000766728 [1,0,0,1,0,0|2,0,0]=4 6900 B12R1.35 C=CCCCC(=O)N1CCCC1 527a_100000188435_100000766728 [1,0,0,1,0,0|2,0,0]=4 6901 B12R1.35 C=CCCCC(=O)[C@@H]1CCCO1 1458a_100000686382_100000757094 [1,0,0,1,0,0|2,0,0]=4 6902 B12R1.35 C=CCCNC(=O)C1CCCC1 11a_100015191253_100000210718 [1,0,0,1,0,0|2,0,0]=4 6903 B12R1.35 C=CCCNC(=O)C1CCCC1 1626a_100015191253_100000210718 [1,0,0,1,0,0|2,0,0]=4 6904 B12R1.35 C=CCCNC(=O)C1CCCC1 240690a_100015191253_100000210718 [1,0,0,1,0,0|2,0,0]=4 6905 B12R1.35 C=CCCNC(=O)C1CCCC1 527a_100015191253_100000210718 [1,0,0,1,0,0|2,0,0]=4 6906 B12R1.35 C=CCSCC(=O)C1CCCC1 1458a_100000230395_100000179811 [1,0,0,1,0,0|2,0,0]=4 6907 B12R1.35 C=COCCC(=O)C1CCCC1 1458a_100000210718_100000039644 [1,0,0,1,0,0|2,0,0]=4 6908 B12R1.35 CCCCCC(=O)C1CC=CC1 1458a_100000759439_100000210326 [1,0,0,1,0,0|1,0,1]=4 6909 B12R1.35 CCCCCC(=O)C1CCCC1 1458a_100000210718_100000210326 [1,0,0,1,0,0|1,0,1]=4 6910 B12R1.35 CCCCCC(=O)C1CCCC1 1458a_100000212188_100000179811 [1,0,0,1,0,0|1,0,1]=4 6911 B12R1.35 CCCCCC(=O)C1CCCS1 1458a_100012002731_100000210326 [1,0,0,1,0,0|0,1,1]=4 6912 B12R1.35 CCCCCC(=O)C1CCOC1 1458a_100000212188_100000690089 [1,0,0,1,0,0|2,0,0]=4 6913 B12R1.35 CCCCCC(=O)C1CCOC1 1458a_100011219752_100000210326 [1,0,0,1,0,0|2,0,0]=4 6914 B12R1.35 CCCCCC(=O)[C@@H]1CCCO1 1458a_100000686382_100000210326 [1,0,0,1,0,0|0,0,1]=3 6915 B12R1.35 CCCCNC(=O)[C@@H]1CCCO1 11a_100000102301_100000686382 [1,0,0,1,0,0|1,0,1]=4 6916 B12R1.35 CCCCNC(=O)[C@@H]1CCCO1 1626a_100000102301_100000686382 [1,0,0,1,0,0|1,0,1]=4 6917 B12R1.35 CCCCNC(=O)[C@@H]1CCCO1 240690a_100000102301_100000686382 [1,0,0,1,0,0|1,0,1]=4 6918 B12R1.35 CCCCNC(=O)[C@@H]1CCCO1 527a_100000102301_100000686382 [1,0,0,1,0,0|1,0,1]=4 6919 B12R1.35 CCOCCC(=O)[C@@H]1CCCO1 1458a_100000686382_100011215890 [1,0,0,1,0,0|1,0,1]=4 6920 B12R1.35 CCSCCC(=O)[C@@H]1CCCO1 1458a_100000686382_100000757381 [1,0,0,1,0,0|1,0,1]=4 6921 B12R1.35 CN(CCCC=O)C1CCCC1 2230a_100000207505_200011292268 [1,0,0,1,0,0|2,0,0]=4 6922 B12R1.35 CN(CCCC=O)C1CCCC1 269982a_100000207505_200011292268 [1,0,0,1,0,0|2,0,0]=4 6923 B12R1.35 COCCCC(=O)C1CCCC1 1458a_100000210718_100000740836 [1,0,0,1,0,0|2,0,0]=4 6924 B12R1.35 COCCCC(=O)C1CCCC1 1458a_100000741012_100000179811 [1,0,0,1,0,0|2,0,0]=4 6925 B12R1.35 COCCCC(=O)[C@@H]1CCCO1 1458a_100000686382_100000740836 [1,0,0,1,0,0|1,0,1]=4 6926 B12R1.35 CSCCCC(=O)C1CCCC1 1458a_100000173376_100000179811 [1,0,0,1,0,0|2,0,0]=4 6927 B12R1.35 N#CCCCC(=O)C1CCCC1 1458a_100000075515_100000179811 [1,0,0,1,0,0|1,0,1]=4 6928 B12R1.35 N#CCCCC(=O)C1CCCC1 1458a_100000210718_100000211468 [1,0,0,1,0,0|1,0,1]=4 6929 B12R1.35 O=C(CCCCF)C1CCCC1 1458a_100000210718_100000729493 [1,0,0,1,0,0|1,0,1]=4 6930 B12R1.35 O=C(CCCCF)[C@@H]1CCCO1 1458a_100000686382_100000729493 [1,0,0,1,0,0|1,0,1]=4 6931 B12R1.35 O=C(CCCCO)C1CCCC1 1458a_100000210718_100000210776 [1,0,0,1,0,0|0,0,1]=3 6932 B12R1.35 O=C(CCCCO)C1CCCC1 1458a_100000695505_100000179811 [1,0,0,1,0,0|0,0,1]=3 6933 B12R1.35 O=C(CCCCO)C1CCCS1 1458a_100012002731_100000210776 [1,0,0,1,0,0|1,0,1]=4 6934 B12R1.35 O=C(CCCCO)C1CCOC1 1458a_100000695505_100000690089 [1,0,0,1,0,0|1,0,1]=4 6935 B12R1.35 O=C(CCCCO)C1CCOC1 1458a_100011219752_100000210776 [1,0,0,1,0,0|1,0,1]=4 6936 B12R1.35 O=C(CCCCO)[C@@H]1CCCO1 1458a_100000686382_100000210776 [1,0,0,1,0,0|1,0,1]=4 6937 B12R1.35 O=C(COCCO)C1CCCC1 1458a_100000708028_100000179811 [1,0,0,1,0,0|1,0,1]=4 6938 B12R1.35 O=C(NCCCO)C1CCCC1 240690a_100000182051_100000210718 [1,0,0,1,0,0|1,0,1]=4 6939 B12R1.35 O=C(NCCCO)C1CCCC1 527a_100000182051_100000210718 [1,0,0,1,0,0|1,0,1]=4 6940 B12R1.35 O=CCNCC(=O)N1CCCC1 2230a_100000751844_200015260668 [1,0,0,1,0,0|2,0,0]=4 6941 B12R1.35 O=CCOCC(=O)N1CCCC1 7a_200000752455_200015260668 [1,0,0,1,0,0|2,0,0]=4 6942 B12R1.35 O=CCSCC(=O)N1CCCC1 62a_100000183516_200015260668 [1,0,0,1,0,0|2,0,0]=4 6943 B12R1.35 O=CCSCC(=O)N1CCCC1 62a_200015260668_100000183516 [1,0,0,1,0,0|2,0,0]=4 6944 B12R1.481 C#CCCCC(=O)C1CC1CC 1458a_200011661523_100000731252 [1,0,0,1,0,0|1,0,1]=4 6945 B12R1.481 C=CCCCC(=O)C1CC1CC 1458a_200011661523_100000757094 [1,0,0,1,0,0|1,0,0]=3 6946 B12R1.481 C=CCCNC(=O)C1CC1CC 11a_100015191253_200011661523 [1,0,0,1,0,0|2,0,0]=4 6947 B12R1.481 C=CCCNC(=O)C1CC1CC 1626a_100015191253_200011661523 [1,0,0,1,0,0|2,0,0]=4 6948 B12R1.481 C=CCCNC(=O)C1CC1CC 240690a_100015191253_200011661523 [1,0,0,1,0,0|2,0,0]=4 6949 B12R1.481 C=CCCNC(=O)C1CC1CC 527a_100015191253_200011661523 [1,0,0,1,0,0|2,0,0]=4 6950 B12R1.481 C=COCCC(=O)C1CC1CC 1458a_200011661523_100000039644 [1,0,0,1,0,0|2,0,0]=4 6951 B12R1.481 CCC1CC1C(=O)CCCC#N 1458a_200011661523_100000211468 [1,0,0,1,0,0|1,0,1]=4 6952 B12R1.481 CCC1CC1C(=O)CCCCF 1458a_200011661523_100000729493 [1,0,0,1,0,0|1,0,1]=4 6953 B12R1.481 CCC1CC1C(=O)CCCCO 1458a_200011661523_100000210776 [1,0,0,1,0,0|0,0,1]=3 6954 B12R1.481 CCC1CC1C(=O)CCCOC 1458a_200011661523_100000740836 [1,0,0,1,0,0|2,0,0]=4 6955 B12R1.481 CCC1CC1C(=O)NCCCO 240690a_100000182051_200011661523 [1,0,0,1,0,0|1,0,1]=4 6956 B12R1.481 CCC1CC1C(=O)NCCCO 527a_100000182051_200011661523 [1,0,0,1,0,0|1,0,1]=4 6957 B12R1.481 CCCCCC(=O)C1CC1CC 1458a_200011661523_100000210326 [1,0,0,1,0,0|1,0,1]=4 6958 B12R1.481 CCCCCC(=O)[C@@H]1C[C@H]1C#N 1458a_100015294237_100000210326 [1,0,0,1,0,0|1,0,1]=4 6959 B12R1.483 C#CCCCC(=O)CC1CCC1 1458a_100000690238_100000763275 [1,0,0,1,0,0|1,0,1]=4 6960 B12R1.483 C#CCCCC(=O)CC1CCC1 1458a_100000763092_100000731252 [1,0,0,1,0,0|1,0,1]=4 6961 B12R1.483 C=CCCCC(=O)CC1CCC1 1458a_100000763092_100000757094 [1,0,0,1,0,0|1,0,0]=3 6962 B12R1.483 C=CCCCC(=O)CC1CCC1 1458a_100000766728_100000763275 [1,0,0,1,0,0|1,0,0]=3 6963 B12R1.483 C=CCCCC(=O)CC1CCO1 1458a_100000766728_100000103362 [1,0,0,1,0,0|2,0,0]=4 6964 B12R1.483 C=CCCCC(=O)CC1COC1 1458a_100000687760_100000757094 [1,0,0,1,0,0|2,0,0]=4 6965 B12R1.483 C=CCCCC(=O)CC1COC1 1458a_100000766728_100010264016 [1,0,0,1,0,0|2,0,0]=4 6966 B12R1.483 C=CCCCC(=O)NC1CCC1 11a_100000749019_100000766728 [1,0,0,1,0,0|2,0,0]=4 6967 B12R1.483 C=CCCCC(=O)NC1CCC1 1626a_100000749019_100000766728 [1,0,0,1,0,0|2,0,0]=4 6968 B12R1.483 C=CCCCC(=O)NC1CCC1 240690a_100000749019_100000766728 [1,0,0,1,0,0|2,0,0]=4 6969 B12R1.483 C=CCCCC(=O)NC1CCC1 527a_100000749019_100000766728 [1,0,0,1,0,0|2,0,0]=4 6970 B12R1.483 C=CCCNC(=O)CC1CCC1 11a_100015191253_100000763092 [1,0,0,1,0,0|2,0,0]=4 6971 B12R1.483 C=CCCNC(=O)CC1CCC1 1626a_100015191253_100000763092 [1,0,0,1,0,0|2,0,0]=4 6972 B12R1.483 C=CCCNC(=O)CC1CCC1 240690a_100015191253_100000763092 [1,0,0,1,0,0|2,0,0]=4 6973 B12R1.483 C=CCCNC(=O)CC1CCC1 527a_100015191253_100000763092 [1,0,0,1,0,0|2,0,0]=4 6974 B12R1.483 C=CCSCC(=O)CC1CCC1 1458a_100000230395_100000763275 [1,0,0,1,0,0|2,0,0]=4 6975 B12R1.483 C=COCCC(=O)CC1CCC1 1458a_100000763092_100000039644 [1,0,0,1,0,0|2,0,0]=4 6976 B12R1.483 CCCCCC(=O)CC1CCC1 1458a_100000212188_100000763275 [1,0,0,1,0,0|1,0,1]=4 6977 B12R1.483 CCCCCC(=O)CC1CCC1 1458a_100000763092_100000210326 [1,0,0,1,0,0|1,0,1]=4 6978 B12R1.483 CCCCCC(=O)CC1CCO1 1458a_100000212188_100000103362 [1,0,0,1,0,0|0,0,1]=3 6979 B12R1.483 CCCCCC(=O)CC1COC1 1458a_100000212188_100010264016 [1,0,0,1,0,0|2,0,0]=4 6980 B12R1.483 CCCCCC(=O)CC1COC1 1458a_100000687760_100000210326 [1,0,0,1,0,0|2,0,0]=4 6981 B12R1.483 CCCOCC(=O)CC1CCO1 1458a_100000745993_100000103362 [1,0,0,1,0,0|1,0,1]=4 6982 B12R1.483 CCCSCC(=O)CC1CCO1 1458a_100000217233_100000103362 [1,0,0,1,0,0|1,0,1]=4 6983 B12R1.483 CCOCCC(=O)CC1CCO1 1458a_100000749530_100000103362 [1,0,0,1,0,0|1,0,1]=4 6984 B12R1.483 CCSCCC(=O)CC1CCO1 1458a_100000230768_100000103362 [1,0,0,1,0,0|1,0,1]=4 6985 B12R1.483 CN(CCCC=O)CC1CCC1 2230a_200000750244_200011292268 [1,0,0,1,0,0|2,0,0]=4 6986 B12R1.483 CN(CCCC=O)CC1CCC1 269982a_200000750244_200011292268 [1,0,0,1,0,0|2,0,0]=4 6987 B12R1.483 COCCCC(=O)CC1CCC1 1458a_100000741012_100000763275 [1,0,0,1,0,0|2,0,0]=4 6988 B12R1.483 COCCCC(=O)CC1CCC1 1458a_100000763092_100000740836 [1,0,0,1,0,0|2,0,0]=4 6989 B12R1.483 COCCCC(=O)CC1CCO1 1458a_100000741012_100000103362 [1,0,0,1,0,0|1,0,1]=4 6990 B12R1.483 CSCCCC(=O)CC1CCC1 1458a_100000173376_100000763275 [1,0,0,1,0,0|2,0,0]=4 6991 B12R1.483 CSCCCC(=O)CC1CCO1 1458a_100000173376_100000103362 [1,0,0,1,0,0|1,0,1]=4 6992 B12R1.483 N#CCCCC(=O)CC1CCC1 1458a_100000075515_100000763275 [1,0,0,1,0,0|1,0,1]=4 6993 B12R1.483 N#CCCCC(=O)CC1CCC1 1458a_100000763092_100000211468 [1,0,0,1,0,0|1,0,1]=4 6994 B12R1.483 O=C(CC1CCC1)NCCCO 240690a_100000182051_100000763092 [1,0,0,1,0,0|1,0,1]=4 6995 B12R1.483 O=C(CC1CCC1)NCCCO 527a_100000182051_100000763092 [1,0,0,1,0,0|1,0,1]=4 6996 B12R1.483 O=C(CCCCF)CC1CCC1 1458a_100000763092_100000729493 [1,0,0,1,0,0|1,0,1]=4 6997 B12R1.483 O=C(CCCCO)CC1CCC1 1458a_100000695505_100000763275 [1,0,0,1,0,0|0,0,1]=3 6998 B12R1.483 O=C(CCCCO)CC1CCC1 1458a_100000763092_100000210776 [1,0,0,1,0,0|0,0,1]=3 6999 B12R1.483 O=C(CCCCO)CC1CCO1 1458a_100000695505_100000103362 [1,0,0,1,0,0|1,0,1]=4 7000 B12R1.483 O=C(CCCCO)CC1COC1 1458a_100000687760_100000210776 [1,0,0,1,0,0|1,0,1]=4 7001 B12R1.483 O=C(CCCCO)CC1COC1 1458a_100000695505_100010264016 [1,0,0,1,0,0|1,0,1]=4 7002 B12R1.483 O=C(CCCCO)NC1CCC1 1626a_100000749019_100000695505 [1,0,0,1,0,0|1,0,1]=4 7003 B12R1.483 O=C(COCCO)CC1CCC1 1458a_100000708028_100000763275 [1,0,0,1,0,0|1,0,1]=4 7004 B12R1.484 C#CCCCC(=O)CCC1CC1 1458a_100000690238_100000694398 [1,0,0,1,0,0|1,0,1]=4 7005 B12R1.484 C#CCCCC(=O)CCC1CC1 1458a_100000756386_100000731252 [1,0,0,1,0,0|1,0,1]=4 7006 B12R1.484 C=CCCCC(=O)CCC1CC1 1458a_100000756386_100000757094 [1,0,0,1,0,0|1,0,0]=3 7007 B12R1.484 C=CCCCC(=O)CCC1CC1 1458a_100000766728_100000694398 [1,0,0,1,0,0|1,0,0]=3 7008 B12R1.484 C=CCCCC(=O)CCC1CO1 1458a_100000766728_100000732470 [1,0,0,1,0,0|2,0,0]=4 7009 B12R1.484 C=CCCCC(=O)NCC1CC1 11a_100000735609_100000766728 [1,0,0,1,0,0|2,0,0]=4 7010 B12R1.484 C=CCCCC(=O)NCC1CC1 1626a_100000735609_100000766728 [1,0,0,1,0,0|2,0,0]=4 7011 B12R1.484 C=CCCCC(=O)NCC1CC1 240690a_100000735609_100000766728 [1,0,0,1,0,0|2,0,0]=4 7012 B12R1.484 C=CCCCC(=O)NCC1CC1 527a_100000735609_100000766728 [1,0,0,1,0,0|2,0,0]=4 7013 B12R1.484 C=CCCNC(=O)CCC1CC1 11a_100015191253_100000756386 [1,0,0,1,0,0|2,0,0]=4 7014 B12R1.484 C=CCCNC(=O)CCC1CC1 1626a_100015191253_100000756386 [1,0,0,1,0,0|2,0,0]=4 7015 B12R1.484 C=CCCNC(=O)CCC1CC1 240690a_100015191253_100000756386 [1,0,0,1,0,0|2,0,0]=4 7016 B12R1.484 C=CCCNC(=O)CCC1CC1 527a_100015191253_100000756386 [1,0,0,1,0,0|2,0,0]=4 7017 B12R1.484 C=CCSCC(=O)CCC1CC1 1458a_100000230395_100000694398 [1,0,0,1,0,0|2,0,0]=4 7018 B12R1.484 C=COCCC(=O)CCC1CC1 1458a_100000756386_100000039644 [1,0,0,1,0,0|2,0,0]=4 7019 B12R1.484 CCCCCC(=O)CCC1CC1 1458a_100000212188_100000694398 [1,0,0,1,0,0|1,0,1]=4 7020 B12R1.484 CCCCCC(=O)CCC1CC1 1458a_100000756386_100000210326 [1,0,0,1,0,0|1,0,1]=4 7021 B12R1.484 CCCCCC(=O)CCC1CO1 1458a_100000212188_100000732470 [1,0,0,1,0,0|0,0,1]=3 7022 B12R1.484 CCCOCC(=O)CCC1CO1 1458a_100000745993_100000732470 [1,0,0,1,0,0|1,0,1]=4 7023 B12R1.484 CCCSCC(=O)CCC1CO1 1458a_100000217233_100000732470 [1,0,0,1,0,0|1,0,1]=4 7024 B12R1.484 CCOCCC(=O)CCC1CO1 1458a_100000749530_100000732470 [1,0,0,1,0,0|1,0,1]=4 7025 B12R1.484 CCSCCC(=O)CCC1CO1 1458a_100000230768_100000732470 [1,0,0,1,0,0|1,0,1]=4 7026 B12R1.484 COCCCC(=O)CCC1CC1 1458a_100000741012_100000694398 [1,0,0,1,0,0|2,0,0]=4 7027 B12R1.484 COCCCC(=O)CCC1CC1 1458a_100000756386_100000740836 [1,0,0,1,0,0|2,0,0]=4 7028 B12R1.484 COCCCC(=O)CCC1CO1 1458a_100000741012_100000732470 [1,0,0,1,0,0|1,0,1]=4 7029 B12R1.484 CSCCCC(=O)CCC1CC1 1458a_100000173376_100000694398 [1,0,0,1,0,0|2,0,0]=4 7030 B12R1.484 CSCCCC(=O)CCC1CO1 1458a_100000173376_100000732470 [1,0,0,1,0,0|1,0,1]=4 7031 B12R1.484 N#CCCCC(=O)CCC1CC1 1458a_100000075515_100000694398 [1,0,0,1,0,0|1,0,1]=4 7032 B12R1.484 N#CCCCC(=O)CCC1CC1 1458a_100000756386_100000211468 [1,0,0,1,0,0|1,0,1]=4 7033 B12R1.484 O=C(CCC1CC1)COCCO 1458a_100000708028_100000694398 [1,0,0,1,0,0|1,0,1]=4 7034 B12R1.484 O=C(CCC1CC1)NCCCO 240690a_100000182051_100000756386 [1,0,0,1,0,0|1,0,1]=4 7035 B12R1.484 O=C(CCC1CC1)NCCCO 527a_100000182051_100000756386 [1,0,0,1,0,0|1,0,1]=4 7036 B12R1.484 O=C(CCCCF)CCC1CC1 1458a_100000756386_100000729493 [1,0,0,1,0,0|1,0,1]=4 7037 B12R1.484 O=C(CCCCO)CCC1CC1 1458a_100000695505_100000694398 [1,0,0,1,0,0|0,0,1]=3 7038 B12R1.484 O=C(CCCCO)CCC1CC1 1458a_100000756386_100000210776 [1,0,0,1,0,0|0,0,1]=3 7039 B12R1.484 O=C(CCCCO)CCC1CO1 1458a_100000695505_100000732470 [1,0,0,1,0,0|1,0,1]=4 7040 B12R1.484 O=C(CCCCO)NCC1CC1 1626a_100000735609_100000695505 [1,0,0,1,0,0|1,0,1]=4 7041 B12R1.485 C#CCCCC(=O)C1CCC1=O 1458a_100000690238_100009892977 [1,0,0,1,0,0|0,0,2]=4 7042 B12R1.485 C=CCCCC(=O)C1CCC1=O 1458a_100000766728_100009892977 [1,0,0,1,0,0|0,0,2]=4 7043 B12R1.485 C=CCCCC(=O)N1CCC1C 11a_100000755817_100000766728 [1,0,0,1,0,0|2,0,0]=4 7044 B12R1.485 C=CCCCC(=O)N1CCC1C 240690a_100000755817_100000766728 [1,0,0,1,0,0|2,0,0]=4 7045 B12R1.485 C=CCCCC(=O)N1CCC1C 527a_100000755817_100000766728 [1,0,0,1,0,0|2,0,0]=4 7046 B12R1.485 CC/C=C/CC(=O)C1CCC1=O 1458a_100016274230_100009892977 [1,0,0,1,0,0|0,0,2]=4 7047 B12R1.485 CCCC#CC(=O)C1CCC1=O 1458a_200011218047_100009892977 [1,0,0,1,0,0|0,0,2]=4 7048 B12R1.485 CCCC=CC(=O)C1CCC1=O 1458a_100000212230_100009892977 [1,0,0,1,0,0|0,0,2]=4 7049 B12R1.485 CCCCCC(=O)C1CCC1=O 1458a_100000212188_100009892977 [1,0,0,1,0,0|0,0,0]=2 7050 B12R1.485 CCCCCN(C)C1CCC1=O 269982a_100000223495_100009892977 [1,0,0,1,0,0|2,0,0]=4 7051 B12R1.485 CCCOCC(=O)C1CCC1=O 1458a_100000745993_100009892977 [1,0,0,1,0,0|1,0,0]=3 7052 B12R1.485 CCCSCC(=O)C1CCC1=O 1458a_100000217233_100009892977 [1,0,0,1,0,0|1,0,0]=3 7053 B12R1.485 CCOCCC(=O)C1CCC1=O 1458a_100000749530_100009892977 [1,0,0,1,0,0|1,0,0]=3 7054 B12R1.485 CCSCCC(=O)C1CCC1=O 1458a_100000230768_100009892977 [1,0,0,1,0,0|1,0,0]=3 7055 B12R1.485 COCCCC(=O)C1CCC1=O 1458a_100000741012_100009892977 [1,0,0,1,0,0|1,0,0]=3 7056 B12R1.485 CSCCCC(=O)C1CCC1=O 1458a_100000173376_100009892977 [1,0,0,1,0,0|1,0,0]=3 7057 B12R1.485 N#CCCCC(=O)C1CCC1=O 1458a_100000075515_100009892977 [1,0,0,1,0,0|1,0,1]=4 7058 B12R1.485 O=C(CCCCO)C1CCC1=O 1458a_100000695505_100009892977 [1,0,0,1,0,0|1,0,0]=3 7059 B12R1.485 O=C1CCC1C(=O)COCCO 1458a_100000708028_100009892977 [1,0,0,1,0,0|2,0,0]=4 7060 B12R1.1414 O=CCCCN1CCCCCC1 2230a_100000185865_200011292268 [1,0,0,1,0,0|2,0,0]=4 7061 B12R1.1414 O=CCCCN1CCCCCC1 269982a_100000185865_200011292268 [1,0,0,1,0,0|2,0,0]=4 7062 B12R1.1631 CCCSC1C(=O)CCCC1=O 62a_100000210303_100009814513 [1,0,0,1,0,0|1,0,0]=3 7063 B12R1.1631 CCCSC1C(=O)CCCC1=O 62a_100009814513_100000210303 [1,0,0,1,0,0|1,0,0]=3 7064 B12R1.1631 COCSC1C(=O)CCCC1=O 62a_100000766300_100009814513 [1,0,0,1,0,0|2,0,0]=4 7065 B12R1.1631 COCSC1C(=O)CCCC1=O 62a_100009814513_100000766300 [1,0,0,1,0,0|2,0,0]=4 7066 B12R1.1631 CSCSC1C(=O)CCCC1=O 62a_100009814513_100011218213 [1,0,0,1,0,0|2,0,0]=4 7067 B12R1.1631 CSCSC1C(=O)CCCC1=O 62a_100011218213_100009814513 [1,0,0,1,0,0|2,0,0]=4 7068 B12R1.1631 O=C1CCCC(=O)C1NCCO 2230a_100016997473_100009814513 [1,0,0,1,0,0|2,0,0]=4 7069 B12R1.1631 O=C1CCCC(=O)C1SCCF 62a_100009814513_100011217306 [1,0,0,1,0,0|2,0,0]=4 7070 B12R1.1631 O=C1CCCC(=O)C1SCCF 62a_100011217306_100009814513 [1,0,0,1,0,0|2,0,0]=4 7071 B12R1.1631 O=C1CCCC(=O)C1SCCO 62a_100000211926_100009814513 [1,0,0,1,0,0|2,0,0]=4 7072 B12R1.1631 O=C1CCCC(=O)C1SCCO 62a_100009814513_100000211926 [1,0,0,1,0,0|2,0,0]=4 7073 B12R1.29 C#CCCC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_100000753159 [1,0,0,1,0,0|0,0,2]=4 7074 B12R1.29 C/C=C/CC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_100102629194 [1,0,0,1,0,0|0,0,2]=4 7075 B12R1.29 C=CCCC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_100000754431 [1,0,0,1,0,0|0,0,2]=4 7076 B12R1.29 CC#CCC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_100000748600 [1,0,0,1,0,0|0,0,2]=4 7077 B12R1.29 CC=CCC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_100000070051 [1,0,0,1,0,0|0,0,2]=4 7078 B12R1.29 CCCCC(=O)C1CCC(=O)N1 1458a_100000210400_100000210211 [1,0,0,1,0,0|1,0,0]=3 7079 B12R1.29 CCCCC(=O)C1CCC(C1)O 1458a_100000688591_100000210211 [1,0,0,1,0,0|1,0,1]=4 7080 B12R1.29 CCCCC(=O)C1CNC(=O)C1 1458a_100000747279_100000210211 [1,0,0,1,0,0|2,0,0]=4 7081 B12R1.29 CCCCC(=O)C1CNC(=O)N1 1458a_100000033324_100000210211 [1,0,0,1,0,0|2,0,0]=4 7082 B12R1.29 CCCCC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_100000210211 [1,0,0,1,0,0|0,0,0]=2 7083 B12R1.29 CCCCC(=O)[C@@H]1CSC(=O)N1 1458a_100000735014_100000210211 [1,0,0,1,0,0|2,0,0]=4 7084 B12R1.29 CCCNC(=O)C1CCC(=O)N1 240690a_100020643023_100000210400 [1,0,0,1,0,0|2,0,0]=4 7085 B12R1.29 CCCNC(=O)[C@@H]1CCC(=O)O1 11a_100020643023_100009814974 [1,0,0,1,0,0|1,0,0]=3 7086 B12R1.29 CCCNC(=O)[C@@H]1CCC(=O)O1 1626a_100020643023_100009814974 [1,0,0,1,0,0|1,0,0]=3 7087 B12R1.29 CCCNC(=O)[C@@H]1CCC(=O)O1 240690a_100020643023_100009814974 [1,0,0,1,0,0|1,0,0]=3 7088 B12R1.29 CCCNC(=O)[C@@H]1CCC(=O)O1 527a_100020643023_100009814974 [1,0,0,1,0,0|1,0,0]=3 7089 B12R1.29 CCNNC(=O)[C@@H]1CCC(=O)O1 22a_100000756455_100009814974 [1,0,0,1,0,0|2,0,0]=4 7090 B12R1.29 COCCC(=O)C1CCC(=O)N1 1458a_100000210400_100000233755 [1,0,0,1,0,0|2,0,0]=4 7091 B12R1.29 COCCC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_100000233755 [1,0,0,1,0,0|1,0,0]=3 7092 B12R1.29 CSCCC(=O)C1CCC(=O)N1 1458a_100000210400_100000751147 [1,0,0,1,0,0|2,0,0]=4 7093 B12R1.29 CSCCC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_100000751147 [1,0,0,1,0,0|1,0,0]=3 7094 B12R1.29 N#CCCC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_100011215226 [1,0,0,1,0,0|1,0,1]=4 7095 B12R1.29 O=C1CCC(N1)C(=O)CCCF 1458a_100000210400_100011934791 [1,0,0,1,0,0|2,0,0]=4 7096 B12R1.29 O=C1CCC(N1)C(=O)CCCO 1458a_100000210400_100011215043 [1,0,0,1,0,0|2,0,0]=4 7097 B12R1.29 O=C1CC[C@H](O1)C(=O)CCCF 1458a_100009814974_100011934791 [1,0,0,1,0,0|1,0,0]=3 7098 B12R1.29 O=C1CC[C@H](O1)C(=O)CCCO 1458a_100009814974_100011215043 [1,0,0,1,0,0|1,0,0]=3 7099 B12R1.29 O=C1CC[C@H](O1)C(=O)NCCF 11a_100000724931_100009814974 [1,0,0,1,0,0|2,0,0]=4 7100 B12R1.29 O=C1CC[C@H](O1)C(=O)NCCF 1626a_100000724931_100009814974 [1,0,0,1,0,0|2,0,0]=4 7101 B12R1.29 O=C1CC[C@H](O1)C(=O)NCCF 240690a_100000724931_100009814974 [1,0,0,1,0,0|2,0,0]=4 7102 B12R1.29 O=C1CC[C@H](O1)C(=O)NCCF 527a_100000724931_100009814974 [1,0,0,1,0,0|2,0,0]=4 7103 B12R1.29 O=C1CC[C@H](O1)C(=O)NCCO 240690a_100000210304_100009814974 [1,0,0,1,0,0|2,0,0]=4 7104 B12R1.29 O=C1CC[C@H](O1)C(=O)NCCO 527a_100000210304_100009814974 [1,0,0,1,0,0|2,0,0]=4 7105 B12R1.125 CC(=O)CCN1CCCCC1=O 1458a_100011236303_200000210301 [1,0,0,1,0,0|2,0,0]=4 7106 B12R1.125 CC(=O)COC1CCCCC1=O 34a_100000211253_100000754470 [1,0,0,1,0,0|2,0,0]=4 7107 B12R1.125 CN1CCCCC1CCC(=O)O 269956a_100000694054_200000210301 [1,0,0,1,0,0|2,0,0]=4 7108 B12R1.125 NC(=O)COC1CCCCC1=O 34a_100011214950_100000187820 [1,0,0,1,0,0|2,0,0]=4 7109 B12R1.125 NC(=O)CSC1CCCCC1=O 62a_100000204591_100000747473 [1,0,0,1,0,0|2,0,0]=4 7110 B12R1.125 NC(=O)CSC1CCCCC1=O 62a_100000747473_100000204591 [1,0,0,1,0,0|2,0,0]=4 7111 B12R1.125 O=C(O)CNC1CCCCC1=O 269956a_100016091260_100000204591 [1,0,0,1,0,0|1,0,0]=3 7112 B12R1.125 O=C(O)CNC1CCCNC1=O 269956a_100016091260_100000687798 [1,0,0,1,0,0|2,0,0]=4 7113 B12R1.125 O=C(O)CNC1COCCC1=O 269956a_100016091260_100012180262 [1,0,0,1,0,0|2,0,0]=4 7114 B12R1.125 O=C([O-])COC1CCCCC1=O 34a_100011214950_100020667443 [1,0,0,1,0,0|1,0,1]=4 7115 B12R1.125 O=C([O-])CSC1CCCCC1=O 62a_100000204591_100020667443 [1,0,0,1,0,0|1,0,1]=4 7116 B12R1.125 O=C([O-])CSC1CCCCC1=O 62a_100020667443_100000204591 [1,0,0,1,0,0|1,0,1]=4 7117 B12R1.125 [13CH3]C(=O)CCN1CCCCC1=O 1458a_100011236303_200025704644 [1,0,0,1,0,0|2,0,0]=4 7118 B12R1.125 [13CH3]N1CCCCC1CCC(=O)O 269956a_100000694054_200025704644 [1,0,0,1,0,0|2,0,0]=4 7119 B12R1.332 CCCCN1CC(C1)CC(=O)O 269956a_100016993960_100000210211 [1,0,0,1,0,0|2,0,0]=4 7120 B12R1.462 CCCCC(=O)CC1CC(=O)C1 1458a_100000210183_100009874392 [1,0,0,1,0,0|1,0,0]=3 7121 B12R1.462 CCOCC(=O)CC1CC(=O)C1 1458a_100000211967_100009874392 [1,0,0,1,0,0|2,0,0]=4 7122 B12R1.462 CCSCC(=O)CC1CC(=O)C1 1458a_100000230394_100009874392 [1,0,0,1,0,0|2,0,0]=4 7123 B12R1.462 COCCC(=O)CC1CC(=O)C1 1458a_100000749529_100009874392 [1,0,0,1,0,0|2,0,0]=4 7124 B12R1.462 CSCCC(=O)CC1CC(=O)C1 1458a_100000174002_100009874392 [1,0,0,1,0,0|2,0,0]=4 7125 B12R1.464 CCCCC(=O)CCCC1CO1 1458a_100000210183_100000733510 [1,0,0,1,0,0|1,0,1]=4 7126 B12R1.1238 CC(=O)CCCC(=O)C1CC1C 1458a_100000211227_100011215641 [1,0,0,1,0,0|1,0,0]=3 7127 B12R1.1238 CC(=O)CCCC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100011215641 [1,0,0,1,0,0|2,0,0]=4 7128 B12R1.1238 CC(=O)CCNC(=O)C1CC1C 1458a_100000195327_200000210301 [1,0,0,1,0,0|2,0,0]=4 7129 B12R1.1238 CC(=O)NCCC(=O)C1CC1C 1458a_100000211227_100000189650 [1,0,0,1,0,0|2,0,0]=4 7130 B12R1.1238 CC(=O)OCCC(=O)C1CC1C 1458a_100000211227_100009814007 [1,0,0,1,0,0|2,0,0]=4 7131 B12R1.1238 CC(O)CCCC(=O)C1CC1C 1458a_100000211227_200000718107 [1,0,0,1,0,0|1,0,1]=4 7132 B12R1.1238 CC1CC1C(=O)CCCC(=O)N 1458a_100000211227_100102525003 [1,0,0,1,0,0|1,0,0]=3 7133 B12R1.1238 CC1CC1C(=O)CCNC(=O)N 1458a_100000211227_200000034859 [1,0,0,1,0,0|2,0,0]=4 7134 B12R1.1238 CC1CC1C(=O)CCOC(=O)N 1458a_100000211227_200011214921 [1,0,0,1,0,0|2,0,0]=4 7135 B12R1.1238 CC1CC1C(=O)NCCC(=O)N 11a_100000740010_100000211227 [1,0,0,1,0,0|2,0,0]=4 7136 B12R1.1238 CC1CC1C(=O)NCCC(=O)N 527a_100000740010_100000211227 [1,0,0,1,0,0|2,0,0]=4 7137 B12R1.1238 CC1CC1C(=O)NCCC(=O)[13CH3] 1458a_100000195327_200025704644 [1,0,0,1,0,0|2,0,0]=4 7138 B12R1.1238 NC(=O)CCCC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100102525003 [1,0,0,1,0,0|2,0,0]=4 7139 B12R1.1357 CC(=O)CCCC(=O)C1CCC1 1458a_100000209988_100011215641 [1,0,0,1,0,0|1,0,0]=3 7140 B12R1.1357 CC(=O)CCCC(=O)C1CCO1 1458a_100000089072_100011215641 [1,0,0,1,0,0|2,0,0]=4 7141 B12R1.1357 CC(=O)CCCC(=O)C1COC1 1458a_100000758290_100011215641 [1,0,0,1,0,0|2,0,0]=4 7142 B12R1.1357 CC(=O)COCC(=O)C1CCC1 34a_100000211253_100000686122 [1,0,0,1,0,0|2,0,0]=4 7143 B12R1.1357 CC(=O)NCCC(=O)C1CCC1 1458a_100000183196_100000749161 [1,0,0,1,0,0|2,0,0]=4 7144 B12R1.1357 CC(=O)NCCC(=O)C1CCC1 1458a_100000209988_100000189650 [1,0,0,1,0,0|2,0,0]=4 7145 B12R1.1357 CC(=O)OCCC(=O)C1CCC1 1458a_100000209988_100009814007 [1,0,0,1,0,0|2,0,0]=4 7146 B12R1.1357 CC(=O)SCCC(=O)C1CCC1 1458a_100000048949_100000749161 [1,0,0,1,0,0|2,0,0]=4 7147 B12R1.1357 CC(O)CCCC(=O)C1CCC1 1458a_100000209988_200000718107 [1,0,0,1,0,0|1,0,1]=4 7148 B12R1.1357 CN(CCCC(=O)O)C1CCC1 269956a_100000719178_100000749161 [1,0,0,1,0,0|2,0,0]=4 7149 B12R1.1357 NC(=O)CCCC(=O)C1CCC1 1458a_100000209988_100102525003 [1,0,0,1,0,0|1,0,0]=3 7150 B12R1.1357 NC(=O)CCCC(=O)C1CCO1 1458a_100000089072_100102525003 [1,0,0,1,0,0|2,0,0]=4 7151 B12R1.1357 NC(=O)CCCC(=O)C1COC1 1458a_100000758290_100102525003 [1,0,0,1,0,0|2,0,0]=4 7152 B12R1.1357 NC(=O)CCNC(=O)C1CCC1 11a_100000740010_100000209988 [1,0,0,1,0,0|2,0,0]=4 7153 B12R1.1357 NC(=O)CCNC(=O)C1CCC1 240690a_100000740010_100000209988 [1,0,0,1,0,0|2,0,0]=4 7154 B12R1.1357 NC(=O)CCNC(=O)C1CCC1 527a_100000740010_100000209988 [1,0,0,1,0,0|2,0,0]=4 7155 B12R1.1357 NC(=O)CNCC(=O)C1CCC1 2230a_100000711301_100000686122 [1,0,0,1,0,0|2,0,0]=4 7156 B12R1.1357 NC(=O)COCC(=O)C1CCC1 1458a_100011219004_100000749161 [1,0,0,1,0,0|2,0,0]=4 7157 B12R1.1357 NC(=O)CSCC(=O)C1CCC1 62a_100000686122_100000747473 [1,0,0,1,0,0|2,0,0]=4 7158 B12R1.1357 NC(=O)CSCC(=O)C1CCC1 62a_100000747473_100000686122 [1,0,0,1,0,0|2,0,0]=4 7159 B12R1.1357 NC(=O)NCCC(=O)C1CCC1 1458a_100000181464_100000749161 [1,0,0,1,0,0|2,0,0]=4 7160 B12R1.1357 NC(=O)NCCC(=O)C1CCC1 1458a_100000209988_200000034859 [1,0,0,1,0,0|2,0,0]=4 7161 B12R1.1357 NC(=O)OCCC(=O)C1CCC1 1458a_100000209988_200011214921 [1,0,0,1,0,0|2,0,0]=4 7162 B12R1.1357 O=C(CCC[N+](=O)[O-])C1CCC1 1458a_100016109205_100000749161 [1,0,0,1,0,0|1,0,1]=4 7163 B12R1.1357 O=C(O)CNCC(=O)C1CCC1 269956a_100016091260_100000686122 [1,0,0,1,0,0|1,0,0]=3 7164 B12R1.1357 O=C(O)CNCC(=O)N1CCC1 269956a_100016091260_100000185095 [1,0,0,1,0,0|2,0,0]=4 7165 B12R1.1357 O=C([O-])CSCC(=O)C1CCC1 62a_100000686122_100020667443 [1,0,0,1,0,0|1,0,1]=4 7166 B12R1.1357 O=C([O-])CSCC(=O)C1CCC1 62a_100020667443_100000686122 [1,0,0,1,0,0|1,0,1]=4 7167 B12R1.1359 CC(=O)CCCC(=O)CC1CC1 1458a_100000738066_100011215641 [1,0,0,1,0,0|1,0,0]=3 7168 B12R1.1359 CC(=O)NCCC(=O)CC1CC1 1458a_100000183196_100000742324 [1,0,0,1,0,0|2,0,0]=4 7169 B12R1.1359 CC(=O)NCCC(=O)CC1CC1 1458a_100000738066_100000189650 [1,0,0,1,0,0|2,0,0]=4 7170 B12R1.1359 CC(=O)OCCC(=O)CC1CC1 1458a_100000738066_100009814007 [1,0,0,1,0,0|2,0,0]=4 7171 B12R1.1359 CC(=O)SCCC(=O)CC1CC1 1458a_100000048949_100000742324 [1,0,0,1,0,0|2,0,0]=4 7172 B12R1.1359 CC(O)CCCC(=O)CC1CC1 1458a_100000738066_200000718107 [1,0,0,1,0,0|1,0,1]=4 7173 B12R1.1359 CN(CCCC(=O)O)CC1CC1 269956a_100000719178_100000742324 [1,0,0,1,0,0|2,0,0]=4 7174 B12R1.1359 NC(=O)CCCC(=O)CC1CC1 1458a_100000738066_100102525003 [1,0,0,1,0,0|1,0,0]=3 7175 B12R1.1359 NC(=O)CCNC(=O)CC1CC1 11a_100000740010_100000738066 [1,0,0,1,0,0|2,0,0]=4 7176 B12R1.1359 NC(=O)CCNC(=O)CC1CC1 240690a_100000740010_100000738066 [1,0,0,1,0,0|2,0,0]=4 7177 B12R1.1359 NC(=O)CCNC(=O)CC1CC1 527a_100000740010_100000738066 [1,0,0,1,0,0|2,0,0]=4 7178 B12R1.1359 NC(=O)COCC(=O)CC1CC1 1458a_100011219004_100000742324 [1,0,0,1,0,0|2,0,0]=4 7179 B12R1.1359 NC(=O)NCCC(=O)CC1CC1 1458a_100000181464_100000742324 [1,0,0,1,0,0|2,0,0]=4 7180 B12R1.1359 NC(=O)NCCC(=O)CC1CC1 1458a_100000738066_200000034859 [1,0,0,1,0,0|2,0,0]=4 7181 B12R1.1359 NC(=O)OCCC(=O)CC1CC1 1458a_100000738066_200011214921 [1,0,0,1,0,0|2,0,0]=4 7182 B12R1.1359 O=C(CCC[N+](=O)[O-])CC1CC1 1458a_100016109205_100000742324 [1,0,0,1,0,0|1,0,1]=4 7183 B12R1.1359 O=C(O)CNCC(=O)NC1CC1 269956a_100016091260_100000182950 [1,0,0,1,0,0|2,0,0]=4 7184 B12R1.7 CCCCCOC1CCC(=O)C1 34a_100012614533_100000718602 [1,0,0,1,0,0|2,0,0]=4 7185 B12R1.7 CCCCCOC1COC(=O)O1 34a_100000210253_100000032252 [1,0,0,1,0,0|2,0,0]=4 7186 B12R1.7 CCCCCSC1COC(=O)O1 62a_100000210326_100000032252 [1,0,0,1,0,0|2,0,0]=4 7187 B12R1.62 CCCCCNCC1CC(=O)C1 2230a_100000209983_100009874392 [1,0,0,1,0,0|2,0,0]=4 7188 B12R1.62 CCCCCOCC1CC(=O)C1 34a_100000101936_100000718602 [1,0,0,1,0,0|2,0,0]=4 7189 B12R1.62 CCCCCOCC1CC(=O)C1 7a_100000210253_100009874392 [1,0,0,1,0,0|2,0,0]=4 7190 B12R1.62 CCCCCSCC1CC(=O)C1 62a_100000210326_100009874392 [1,0,0,1,0,0|2,0,0]=4 7191 B12R1.62 CCCCCSCC1CC(=O)C1 62a_100009874392_100000210326 [1,0,0,1,0,0|2,0,0]=4 7192 B12R1.130 CC(=O)CCCN1CCC[C@@H]1C 269982a_100020605311_100011215641 [1,0,0,1,0,0|2,0,0]=4 7193 B12R1.130 CC(=O)CCCN1CCC[C@H]1C 269982a_100015189458_100011215641 [1,0,0,1,0,0|2,0,0]=4 7194 B12R1.130 CC(=O)CCCN1CCC[C@H]1C 34a_100015189458_100000685027 [1,0,0,1,0,0|2,0,0]=4 7195 B12R1.130 C[C@@H]1CCCN1CCCC(=O)N 269982a_100015189458_100102525003 [1,0,0,1,0,0|2,0,0]=4 7196 B12R1.130 C[C@@H]1CCCN1CCCC(=O)N 34a_100015189458_100102525003 [1,0,0,1,0,0|2,0,0]=4 7197 B12R1.130 C[C@H]1CCCN1CCCC(=O)N 269982a_100020605311_100102525003 [1,0,0,1,0,0|2,0,0]=4 7198 B12R1.143 CC(=O)CCCOCC1CC1C 34a_100000744939_100000685027 [1,0,0,1,0,0|2,0,0]=4 7199 B12R1.143 CC(=O)CCCOCC1CC1C 7a_100000744939_100011215641 [1,0,0,1,0,0|2,0,0]=4 7200 B12R1.143 CC1CC1COCCCC(=O)N 34a_100000744939_100102525003 [1,0,0,1,0,0|2,0,0]=4 7201 B12R1.143 CC1CC1COCCCC(=O)N 7a_100000744939_100102525003 [1,0,0,1,0,0|2,0,0]=4 7202 B12R1.255 CC(=O)CCCNC1CCCC1 34a_100000211070_100000685027 [1,0,0,1,0,0|2,0,0]=4 7203 B12R1.255 CC(=O)CCCOC1CCCC1 34a_100000210269_100000685027 [1,0,0,1,0,0|2,0,0]=4 7204 B12R1.255 CC(=O)CCCOC1CCCC1 34a_100000759063_100000179811 [1,0,0,1,0,0|2,0,0]=4 7205 B12R1.255 CC(=O)CCCOC1CCCC1 7a_100000210269_100011215641 [1,0,0,1,0,0|2,0,0]=4 7206 B12R1.255 CC(=O)CCCOC1CCCC1 7a_100000759063_100000179811 [1,0,0,1,0,0|2,0,0]=4 7207 B12R1.255 CC(=O)CCCSC1CCCC1 62a_100011215641_100000179811 [1,0,0,1,0,0|2,0,0]=4 7208 B12R1.255 CC(=O)CCCSC1CCCC1 62a_100011217020_100011215641 [1,0,0,1,0,0|2,0,0]=4 7209 B12R1.255 NC(=O)CCCNC1CCCC1 34a_100000211070_100102525003 [1,0,0,1,0,0|2,0,0]=4 7210 B12R1.255 NC(=O)CCCNC1CCCC1 34a_100000739312_100000179811 [1,0,0,1,0,0|2,0,0]=4 7211 B12R1.255 NC(=O)CCCOC1CCCC1 34a_100000210269_100102525003 [1,0,0,1,0,0|2,0,0]=4 7212 B12R1.255 NC(=O)CCCOC1CCCC1 7a_100000210269_100102525003 [1,0,0,1,0,0|2,0,0]=4 7213 B12R1.255 NC(=O)CCCSC1CCCC1 62a_100011217020_100102525003 [1,0,0,1,0,0|2,0,0]=4 7214 B12R1.255 NC(=O)CCCSC1CCCC1 62a_100102525003_100000179811 [1,0,0,1,0,0|2,0,0]=4 7215 B12R1.255 O=C(O)CNCCC1CCCC1 269956a_100016091260_100000760354 [1,0,0,1,0,0|1,0,1]=4 7216 B12R1.257 CC(=O)CCCNCC1CCC1 34a_100000738700_100000685027 [1,0,0,1,0,0|2,0,0]=4 7217 B12R1.257 CC(=O)CCCOCC1CCC1 34a_100000759063_100000763275 [1,0,0,1,0,0|2,0,0]=4 7218 B12R1.257 CC(=O)CCCOCC1CCC1 34a_100000760304_100000685027 [1,0,0,1,0,0|2,0,0]=4 7219 B12R1.257 CC(=O)CCCOCC1CCC1 7a_100000759063_100000763275 [1,0,0,1,0,0|2,0,0]=4 7220 B12R1.257 CC(=O)CCCSCC1CCC1 62a_100000763275_100011215641 [1,0,0,1,0,0|2,0,0]=4 7221 B12R1.257 CC(=O)CCCSCC1CCC1 62a_100011215641_100000763275 [1,0,0,1,0,0|2,0,0]=4 7222 B12R1.257 NC(=O)CCCNCC1CCC1 269862a_100000739312_100000753134 [1,0,0,1,0,0|2,0,0]=4 7223 B12R1.257 NC(=O)CCCNCC1CCC1 34a_100000738700_100102525003 [1,0,0,1,0,0|2,0,0]=4 7224 B12R1.257 NC(=O)CCCNCC1CCC1 34a_100000739312_100000763275 [1,0,0,1,0,0|2,0,0]=4 7225 B12R1.257 NC(=O)CCCOCC1CCC1 34a_100000760304_100102525003 [1,0,0,1,0,0|2,0,0]=4 7226 B12R1.257 NC(=O)CCCSCC1CCC1 62a_100000763275_100102525003 [1,0,0,1,0,0|2,0,0]=4 7227 B12R1.257 NC(=O)CCCSCC1CCC1 62a_100102525003_100000763275 [1,0,0,1,0,0|2,0,0]=4 7228 B12R1.283 CCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000210207 [1,0,0,1,0,0|1,0,1]=4 7229 B12R1.283 CCCN1CSCCC1C(=O)O 269956a_100015185162_100000210207 [1,0,0,1,0,0|2,0,0]=4 7230 B12R1.283 CCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100000210202 [1,0,0,1,0,0|1,0,1]=4 7231 B12R1.386 CCCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000210211 [1,0,0,1,0,0|1,0,1]=4 7232 B12R1.390 CC(=O)CCCNCCC1CC1 34a_100000764129_100000685027 [1,0,0,1,0,0|2,0,0]=4 7233 B12R1.390 CC(=O)CCCOCCC1CC1 34a_100000754188_100000685027 [1,0,0,1,0,0|2,0,0]=4 7234 B12R1.390 CC(=O)CCCOCCC1CC1 34a_100000759063_100000694398 [1,0,0,1,0,0|2,0,0]=4 7235 B12R1.390 CC(=O)CCCOCCC1CC1 7a_100000754188_100011215641 [1,0,0,1,0,0|2,0,0]=4 7236 B12R1.390 CC(=O)CCCOCCC1CC1 7a_100000759063_100000764125 [1,0,0,1,0,0|2,0,0]=4 7237 B12R1.390 CC(=O)CCCSCCC1CC1 62a_100000764125_100011215641 [1,0,0,1,0,0|2,0,0]=4 7238 B12R1.390 CC(=O)CCCSCCC1CC1 62a_100011215641_100000764125 [1,0,0,1,0,0|2,0,0]=4 7239 B12R1.390 NC(=O)CCCNCCC1CC1 34a_100000739312_100000694398 [1,0,0,1,0,0|2,0,0]=4 7240 B12R1.390 NC(=O)CCCNCCC1CC1 34a_100000764129_100102525003 [1,0,0,1,0,0|2,0,0]=4 7241 B12R1.390 NC(=O)CCCOCCC1CC1 34a_100000754188_100102525003 [1,0,0,1,0,0|2,0,0]=4 7242 B12R1.390 NC(=O)CCCOCCC1CC1 7a_100000754188_100102525003 [1,0,0,1,0,0|2,0,0]=4 7243 B12R1.390 NC(=O)CCCSCCC1CC1 62a_100000764125_100102525003 [1,0,0,1,0,0|2,0,0]=4 7244 B12R1.390 NC(=O)CCCSCCC1CC1 62a_100102525003_100000764125 [1,0,0,1,0,0|2,0,0]=4 7245 B12R1.405 CCN1CCCCCC1C(=O)O 269956a_100000758484_100000210202 [1,0,0,1,0,0|1,0,1]=4 7246 B12R1.522 CCCCCN1CCC1C(=O)O 269956a_100000021838_100000210326 [1,0,0,1,0,0|1,0,0]=3 7247 B12R1.522 CCOCCN1CCC1C(=O)O 269956a_100000021838_100000210147 [1,0,0,1,0,0|2,0,0]=4 7248 B12R1.522 CCSCCN1CCC1C(=O)O 269956a_100000021838_100000757381 [1,0,0,1,0,0|2,0,0]=4 7249 B12R1.522 COCCCN1CCC1C(=O)O 269956a_100000021838_100000740836 [1,0,0,1,0,0|2,0,0]=4 7250 B12R1.522 O=C(O)C1CCN1CCCCF 269956a_100000021838_100000729493 [1,0,0,1,0,0|2,0,0]=4 7251 B12R1.522 O=C(O)C1CCN1CCCCO 269956a_100000021838_100000210776 [1,0,0,1,0,0|2,0,0]=4 7252 B12R1.1343 O=C(O)CNC1CCCCCC1 269956a_100016091260_100011217769 [1,0,0,1,0,0|1,0,1]=4 7253 B12R1.54 C=C(C)CCC(=O)C1CCCC1 1458a_100000210718_100000730704 [0,0,0,1,1,0|2,0,0]=4 7254 B12R1.54 C=C(C)CCC(=O)C1CCCC1 1458a_200000688413_100000179811 [0,0,0,1,1,0|2,0,0]=4 7255 B12R1.54 CC(=O)CCC(=O)N1CCCC1 1458a_100000070787_100011194422 [0,0,0,1,1,0|2,0,0]=4 7256 B12R1.54 CC(=O)CCC(=O)N1CCCC1 1458a_200000187315_200000210301 [0,0,0,1,1,0|2,0,0]=4 7257 B12R1.54 CC(=O)NCC(=O)C1CCCC1 1458a_100000194580_100000179811 [0,0,0,1,1,0|2,0,0]=4 7258 B12R1.54 CC(=O)OCC(=O)C1CCCC1 1458a_100000183556_100000179811 [0,0,0,1,1,0|2,0,0]=4 7259 B12R1.54 CC(=O)SCC(=O)C1CCCC1 1458a_100000049016_100000179811 [0,0,0,1,1,0|2,0,0]=4 7260 B12R1.54 CC(O)CCC(=O)C1CCCC1 1458a_100000210718_100012276601 [0,0,0,1,1,0|1,0,1]=4 7261 B12R1.54 NC(=O)CCC(=O)C1CCCC1 1458a_100011215257_100000179811 [0,0,0,1,1,0|1,0,0]=3 7262 B12R1.54 NC(=O)CCC(=O)C1CCOC1 1458a_100011215257_100000690089 [0,0,0,1,1,0|2,0,0]=4 7263 B12R1.54 NC(=O)CCC(=O)N1CCCC1 240690a_100000188435_100011215257 [0,0,0,1,1,0|2,0,0]=4 7264 B12R1.54 NC(=O)CCC(=O)N1CCCC1 527a_100000188435_100011215257 [0,0,0,1,1,0|2,0,0]=4 7265 B12R1.54 NC(=O)CNC(=O)C1CCCC1 11a_100000711301_100000210718 [0,0,0,1,1,0|2,0,0]=4 7266 B12R1.54 NC(=O)CNC(=O)C1CCCC1 240690a_100000711301_100000210718 [0,0,0,1,1,0|2,0,0]=4 7267 B12R1.54 NC(=O)CNC(=O)C1CCCC1 527a_100000711301_100000210718 [0,0,0,1,1,0|2,0,0]=4 7268 B12R1.54 NC(=O)NCC(=O)C1CCCC1 1458a_100000184981_100000179811 [0,0,0,1,1,0|2,0,0]=4 7269 B12R1.54 O=C(CC[N+](=O)[O-])C1CCCC1 1458a_200000064761_100000179811 [0,0,0,1,1,0|1,0,1]=4 7270 B12R1.54 [13CH3]C(=O)CCC(=O)N1CCCC1 1458a_200000187315_200025704644 [0,0,0,1,1,0|2,0,0]=4 7271 B12R1.230 CC1CCN1C(=O)CCC(=O)N 240690a_100000755817_100011215257 [0,0,0,1,1,0|2,0,0]=4 7272 B12R1.230 CC1CCN1C(=O)CCC(=O)N 527a_100000755817_100011215257 [0,0,0,1,1,0|2,0,0]=4 7273 B12R1.397 C=C(C)CCC(=O)C1CC1CC 1458a_200011661523_100000730704 [0,0,0,1,1,0|2,0,0]=4 7274 B12R1.397 CCC1CC1C(=O)CCC(C)O 1458a_200011661523_100012276601 [0,0,0,1,1,0|1,0,1]=4 7275 B12R1.397 CCC1CC1C(=O)NCC(=O)N 11a_100000711301_200011661523 [0,0,0,1,1,0|2,0,0]=4 7276 B12R1.397 CCC1CC1C(=O)NCC(=O)N 240690a_100000711301_200011661523 [0,0,0,1,1,0|2,0,0]=4 7277 B12R1.397 CCC1CC1C(=O)NCC(=O)N 527a_100000711301_200011661523 [0,0,0,1,1,0|2,0,0]=4 7278 B12R1.486 C=C1CC(C1)C(=O)CCCCC 1458a_100000065620_100000210326 [0,0,0,1,1,0|2,0,0]=4 7279 B12R1.486 CCCCCC(=O)[C@@H]1CC(=O)N1 1458a_100016090685_100000210326 [0,0,0,1,1,0|1,0,0]=3 7280 B12R1.486 CCCCCC(=O)[C@H]1C[C@H](C1)O 1458a_100015266633_100000210326 [0,0,0,1,1,0|1,0,1]=4 7281 B12R1.486 CCCCNC(=O)[C@@H]1CC(=O)N1 527a_100000102301_100016090685 [0,0,0,1,1,0|2,0,0]=4 7282 B12R1.486 CCOCCC(=O)[C@@H]1CC(=O)N1 1458a_100016090685_100011215890 [0,0,0,1,1,0|2,0,0]=4 7283 B12R1.486 CCSCCC(=O)[C@@H]1CC(=O)N1 1458a_100016090685_100000757381 [0,0,0,1,1,0|2,0,0]=4 7284 B12R1.486 COCCCC(=O)[C@@H]1CC(=O)N1 1458a_100016090685_100000740836 [0,0,0,1,1,0|2,0,0]=4 7285 B12R1.486 O=C1C[C@H](N1)C(=O)CCCCF 1458a_100016090685_100000729493 [0,0,0,1,1,0|2,0,0]=4 7286 B12R1.486 O=C1C[C@H](N1)C(=O)CCCCO 1458a_100016090685_100000210776 [0,0,0,1,1,0|2,0,0]=4 7287 B12R1.551 C=C(C)CCC(=O)CC1CCC1 1458a_100000763092_100000730704 [0,0,0,1,1,0|2,0,0]=4 7288 B12R1.551 C=C(C)CCC(=O)CC1CCC1 1458a_200000688413_100000763275 [0,0,0,1,1,0|2,0,0]=4 7289 B12R1.551 CC(=O)NCC(=O)CC1CCC1 1458a_100000194580_100000763275 [0,0,0,1,1,0|2,0,0]=4 7290 B12R1.551 CC(=O)OCC(=O)CC1CCC1 1458a_100000183556_100000763275 [0,0,0,1,1,0|2,0,0]=4 7291 B12R1.551 CC(=O)SCC(=O)CC1CCC1 1458a_100000049016_100000763275 [0,0,0,1,1,0|2,0,0]=4 7292 B12R1.551 CC(O)CCC(=O)CC1CCC1 1458a_100000763092_100012276601 [0,0,0,1,1,0|1,0,1]=4 7293 B12R1.551 NC(=O)CCC(=O)CC1CCC1 1458a_100011215257_100000763275 [0,0,0,1,1,0|1,0,0]=3 7294 B12R1.551 NC(=O)CCC(=O)CC1CCO1 1458a_100011215257_100000103362 [0,0,0,1,1,0|2,0,0]=4 7295 B12R1.551 NC(=O)CCC(=O)CC1COC1 1458a_100011215257_100010264016 [0,0,0,1,1,0|2,0,0]=4 7296 B12R1.551 NC(=O)CCC(=O)NC1CCC1 240690a_100000749019_100011215257 [0,0,0,1,1,0|2,0,0]=4 7297 B12R1.551 NC(=O)CCC(=O)NC1CCC1 527a_100000749019_100011215257 [0,0,0,1,1,0|2,0,0]=4 7298 B12R1.551 NC(=O)CNC(=O)CC1CCC1 11a_100000711301_100000763092 [0,0,0,1,1,0|2,0,0]=4 7299 B12R1.551 NC(=O)CNC(=O)CC1CCC1 240690a_100000711301_100000763092 [0,0,0,1,1,0|2,0,0]=4 7300 B12R1.551 NC(=O)CNC(=O)CC1CCC1 527a_100000711301_100000763092 [0,0,0,1,1,0|2,0,0]=4 7301 B12R1.551 NC(=O)NCC(=O)CC1CCC1 1458a_100000184981_100000763275 [0,0,0,1,1,0|2,0,0]=4 7302 B12R1.551 O=C(CC[N+](=O)[O-])CC1CCC1 1458a_200000064761_100000763275 [0,0,0,1,1,0|1,0,1]=4 7303 B12R1.552 C=C(C)CCC(=O)CCC1CC1 1458a_100000756386_100000730704 [0,0,0,1,1,0|2,0,0]=4 7304 B12R1.552 C=C(C)CCC(=O)CCC1CC1 1458a_200000688413_100000694398 [0,0,0,1,1,0|2,0,0]=4 7305 B12R1.552 CC(=O)NCC(=O)CCC1CC1 1458a_100000194580_100000694398 [0,0,0,1,1,0|2,0,0]=4 7306 B12R1.552 CC(=O)OCC(=O)CCC1CC1 1458a_100000183556_100000694398 [0,0,0,1,1,0|2,0,0]=4 7307 B12R1.552 CC(=O)SCC(=O)CCC1CC1 1458a_100000049016_100000694398 [0,0,0,1,1,0|2,0,0]=4 7308 B12R1.552 CC(O)CCC(=O)CCC1CC1 1458a_100000756386_100012276601 [0,0,0,1,1,0|1,0,1]=4 7309 B12R1.552 NC(=O)CCC(=O)CCC1CC1 1458a_100011215257_100000694398 [0,0,0,1,1,0|1,0,0]=3 7310 B12R1.552 NC(=O)CCC(=O)CCC1CO1 1458a_100011215257_100000732470 [0,0,0,1,1,0|2,0,0]=4 7311 B12R1.552 NC(=O)CCC(=O)NCC1CC1 240690a_100000735609_100011215257 [0,0,0,1,1,0|2,0,0]=4 7312 B12R1.552 NC(=O)CCC(=O)NCC1CC1 527a_100000735609_100011215257 [0,0,0,1,1,0|2,0,0]=4 7313 B12R1.552 NC(=O)CNC(=O)CCC1CC1 11a_100000711301_100000756386 [0,0,0,1,1,0|2,0,0]=4 7314 B12R1.552 NC(=O)CNC(=O)CCC1CC1 240690a_100000711301_100000756386 [0,0,0,1,1,0|2,0,0]=4 7315 B12R1.552 NC(=O)CNC(=O)CCC1CC1 527a_100000711301_100000756386 [0,0,0,1,1,0|2,0,0]=4 7316 B12R1.552 NC(=O)NCC(=O)CCC1CC1 1458a_100000184981_100000694398 [0,0,0,1,1,0|2,0,0]=4 7317 B12R1.552 O=C(CCC1CC1)CC[N+](=O)[O-] 1458a_200000064761_100000694398 [0,0,0,1,1,0|1,0,1]=4 7318 B12R1.552 O=C(O)CNC(=O)CNC1CC1 269956a_100000183575_100000211595 [0,0,0,1,1,0|2,0,0]=4 7319 B14R1.20 CCCCCC(=O)C1CCCC(C1)O 1458a_100000707227_100000210326 [0,0,0,1,0,1|1,0,1]=4 7320 B14R1.20 CCCCCC(=O)C1CCNC(=O)C1 1458a_100000132800_100000210326 [0,0,0,1,0,1|1,0,0]=3 7321 B14R1.20 CCCCCC(=O)C1CSCC(=O)N1 1458a_100000045068_100000210326 [0,0,0,1,0,1|1,0,0]=3 7322 B14R1.20 CCCCCC(=O)N1CCCC(C1)O 240690a_100000211013_100000212188 [0,0,0,1,0,1|1,0,1]=4 7323 B14R1.20 CCCCCC(=O)N1CCCC(C1)O 527a_100000211013_100000212188 [0,0,0,1,0,1|1,0,1]=4 7324 B14R1.20 CCCCCC(=O)N1CCNC(=O)C1 11a_100000184651_100000212188 [0,0,0,1,0,1|2,0,0]=4 7325 B14R1.20 CCCCCC(=O)N1CCNC(=O)C1 1626a_100000184651_100000212188 [0,0,0,1,0,1|2,0,0]=4 7326 B14R1.20 CCCCCC(=O)N1CCNC(=O)C1 240690a_100000184651_100000212188 [0,0,0,1,0,1|2,0,0]=4 7327 B14R1.20 CCCCCC(=O)N1CCNC(=O)C1 527a_100000184651_100000212188 [0,0,0,1,0,1|2,0,0]=4 7328 B14R1.20 CCCCCC(=O)N1CCOC(=O)C1 11a_100000131268_100000212188 [0,0,0,1,0,1|2,0,0]=4 7329 B14R1.20 CCCCCC(=O)N1CCOC(=O)C1 240690a_100000131268_100000212188 [0,0,0,1,0,1|2,0,0]=4 7330 B14R1.20 CCCCCC(=O)N1CCOC(=O)C1 527a_100000131268_100000212188 [0,0,0,1,0,1|2,0,0]=4 7331 B14R1.20 CCCCCC(=O)[C@@H]1CCN=C(N1)C 1458a_100015271614_100000210326 [0,0,0,1,0,1|2,0,0]=4 7332 B14R1.20 CCCCCC(=O)[C@H]1CCCC(=O)N1 1458a_100000705292_100000210326 [0,0,0,1,0,1|1,0,0]=3 7333 B14R1.20 CCCCNC(=O)C1CCNC(=O)C1 11a_100000102301_100000132800 [0,0,0,1,0,1|2,0,0]=4 7334 B14R1.20 CCCCNC(=O)C1CCNC(=O)C1 1626a_100000102301_100000132800 [0,0,0,1,0,1|2,0,0]=4 7335 B14R1.20 CCCCNC(=O)C1CCNC(=O)C1 240690a_100000102301_100000132800 [0,0,0,1,0,1|2,0,0]=4 7336 B14R1.20 CCCCNC(=O)C1CCNC(=O)C1 527a_100000102301_100000132800 [0,0,0,1,0,1|2,0,0]=4 7337 B14R1.20 CCCCNC(=O)C1CSCC(=O)N1 240690a_100000102301_100000045068 [0,0,0,1,0,1|2,0,0]=4 7338 B14R1.20 CCCCNC(=O)C1CSCC(=O)N1 527a_100000102301_100000045068 [0,0,0,1,0,1|2,0,0]=4 7339 B14R1.20 CCCCNC(=O)[C@H]1CCCC(=O)N1 240690a_100000102301_100000705292 [0,0,0,1,0,1|2,0,0]=4 7340 B14R1.20 CCCCNC(=O)[C@H]1CCCC(=O)N1 527a_100000102301_100000705292 [0,0,0,1,0,1|2,0,0]=4 7341 B14R1.20 CCOCCC(=O)C1CCNC(=O)C1 1458a_100000132800_100011215890 [0,0,0,1,0,1|2,0,0]=4 7342 B14R1.20 CCOCCC(=O)C1CSCC(=O)N1 1458a_100000045068_100011215890 [0,0,0,1,0,1|2,0,0]=4 7343 B14R1.20 CCOCCC(=O)[C@H]1CCCC(=O)N1 1458a_100000705292_100011215890 [0,0,0,1,0,1|2,0,0]=4 7344 B14R1.20 CCSCCC(=O)C1CCNC(=O)C1 1458a_100000132800_100000757381 [0,0,0,1,0,1|2,0,0]=4 7345 B14R1.20 CCSCCC(=O)C1CSCC(=O)N1 1458a_100000045068_100000757381 [0,0,0,1,0,1|2,0,0]=4 7346 B14R1.20 CCSCCC(=O)[C@H]1CCCC(=O)N1 1458a_100000705292_100000757381 [0,0,0,1,0,1|2,0,0]=4 7347 B14R1.20 COCCCC(=O)C1CCNC(=O)C1 1458a_100000132800_100000740836 [0,0,0,1,0,1|2,0,0]=4 7348 B14R1.20 COCCCC(=O)C1CSCC(=O)N1 1458a_100000045068_100000740836 [0,0,0,1,0,1|2,0,0]=4 7349 B14R1.20 COCCCC(=O)[C@H]1CCCC(=O)N1 1458a_100000705292_100000740836 [0,0,0,1,0,1|2,0,0]=4 7350 B14R1.20 O=C1CC(CCN1)C(=O)CCCCF 1458a_100000132800_100000729493 [0,0,0,1,0,1|2,0,0]=4 7351 B14R1.20 O=C1CC(CCN1)C(=O)CCCCO 1458a_100000132800_100000210776 [0,0,0,1,0,1|2,0,0]=4 7352 B14R1.20 O=C1CCC[C@@H](N1)C(=O)CCCCF 1458a_100000705292_100000729493 [0,0,0,1,0,1|2,0,0]=4 7353 B14R1.20 O=C1CCC[C@@H](N1)C(=O)CCCCO 1458a_100000705292_100000210776 [0,0,0,1,0,1|2,0,0]=4 7354 B14R1.20 O=C1CSCC(N1)C(=O)CCCCF 1458a_100000045068_100000729493 [0,0,0,1,0,1|2,0,0]=4 7355 B14R1.20 O=C1CSCC(N1)C(=O)CCCCO 1458a_100000045068_100000210776 [0,0,0,1,0,1|2,0,0]=4 7356 B14R1.148 CC1CCCN(C1)CCNCC(=O)O 269956a_100016091260_100000766211 [0,0,0,1,0,1|2,0,0]=4 7357 B14R1.157 C#CCCCC(=O)CC1CNC(=O)O1 1458a_100000690238_100000181169 [0,0,0,1,0,1|0,0,2]=4 7358 B14R1.157 C#CCCCC(=O)CC1COC(=O)O1 1458a_100000690238_100000073702 [0,0,0,1,0,1|0,0,2]=4 7359 B14R1.157 C=CCCCC(=O)CC1CNC(=O)O1 1458a_100000766728_100000181169 [0,0,0,1,0,1|0,0,2]=4 7360 B14R1.157 C=CCCCC(=O)CC1COC(=O)O1 1458a_100000766728_100000073702 [0,0,0,1,0,1|0,0,2]=4 7361 B14R1.157 CC/C=C/CC(=O)CC1CNC(=O)O1 1458a_100016274230_100000181169 [0,0,0,1,0,1|0,0,2]=4 7362 B14R1.157 CC/C=C/CC(=O)CC1COC(=O)O1 1458a_100016274230_100000073702 [0,0,0,1,0,1|0,0,2]=4 7363 B14R1.157 CCCC#CC(=O)CC1CNC(=O)O1 1458a_200011218047_100000181169 [0,0,0,1,0,1|0,0,2]=4 7364 B14R1.157 CCCC#CC(=O)CC1COC(=O)O1 1458a_200011218047_100000073702 [0,0,0,1,0,1|0,0,2]=4 7365 B14R1.157 CCCC=CC(=O)CC1CNC(=O)O1 1458a_100000212230_100000181169 [0,0,0,1,0,1|0,0,2]=4 7366 B14R1.157 CCCC=CC(=O)CC1COC(=O)O1 1458a_100000212230_100000073702 [0,0,0,1,0,1|0,0,2]=4 7367 B14R1.157 CCCCCC(=O)CC1CCC(=O)N1 1458a_100000026770_100000210326 [0,0,0,1,0,1|1,0,0]=3 7368 B14R1.157 CCCCCC(=O)CC1CNC(=O)O1 1458a_100000212188_100000181169 [0,0,0,1,0,1|0,0,0]=2 7369 B14R1.157 CCCCCC(=O)CC1COC(=O)O1 1458a_100000212188_100000073702 [0,0,0,1,0,1|0,0,0]=2 7370 B14R1.157 CCCCCC(=O)CN1CCC(=N1)C 1458a_100015183194_100000210326 [0,0,0,1,0,1|2,0,0]=4 7371 B14R1.157 CCCCCC(=O)CN1CCC(C1)O 2230a_100011215560_200012276598 [0,0,0,1,0,1|1,0,1]=4 7372 B14R1.157 CCCCCC(=O)CN1CCC(C1)O 269982a_100011215560_200012276598 [0,0,0,1,0,1|1,0,1]=4 7373 B14R1.157 CCCCCC(=O)CN1CNC(=O)C1 2230a_200000708111_200012276598 [0,0,0,1,0,1|2,0,0]=4 7374 B14R1.157 CCCCCC(=O)C[C@@H]1CCC(=O)N1 1458a_100000212188_100015189358 [0,0,0,1,0,1|1,0,0]=3 7375 B14R1.157 CCCCCC(=O)C[C@H]1COC(=O)N1 1458a_100000212188_100015307671 [0,0,0,1,0,1|1,0,0]=3 7376 B14R1.157 CCCCCC(=O)NC1CNC(=O)C1 11a_100000697751_100000212188 [0,0,0,1,0,1|2,0,0]=4 7377 B14R1.157 CCCCCC(=O)NC1CNC(=O)C1 1626a_100000697751_100000212188 [0,0,0,1,0,1|2,0,0]=4 7378 B14R1.157 CCCCCC(=O)NC1CNC(=O)C1 240690a_100000697751_100000212188 [0,0,0,1,0,1|2,0,0]=4 7379 B14R1.157 CCCCCC(=O)NC1CNC(=O)C1 527a_100000697751_100000212188 [0,0,0,1,0,1|2,0,0]=4 7380 B14R1.157 CCCCCC(=O)N[C@H]1CC[C@H](C1)O 1626a_100015195300_100000212188 [0,0,0,1,0,1|1,0,1]=4 7381 B14R1.157 CCCCCC(=O)N[C@H]1CC[C@H](C1)O 240690a_100015195300_100000212188 [0,0,0,1,0,1|1,0,1]=4 7382 B14R1.157 CCCCCN(C)CC1CNC(=O)O1 2230a_100000223495_100000181169 [0,0,0,1,0,1|2,0,0]=4 7383 B14R1.157 CCCCCN(C)CC1CNC(=O)O1 269982a_100000223495_100000181169 [0,0,0,1,0,1|2,0,0]=4 7384 B14R1.157 CCCCCN(C)CC1COC(=O)O1 269982a_100000223495_100000073702 [0,0,0,1,0,1|2,0,0]=4 7385 B14R1.157 CCCCNC(=O)CC1CCC(=O)N1 1626a_100000102301_100000026770 [0,0,0,1,0,1|2,0,0]=4 7386 B14R1.157 CCCCNC(=O)CC1CCC(=O)N1 240690a_100000102301_100000026770 [0,0,0,1,0,1|2,0,0]=4 7387 B14R1.157 CCCOCC(=O)CC1CNC(=O)O1 1458a_100000745993_100000181169 [0,0,0,1,0,1|1,0,0]=3 7388 B14R1.157 CCCOCC(=O)CC1COC(=O)O1 1458a_100000745993_100000073702 [0,0,0,1,0,1|1,0,0]=3 7389 B14R1.157 CCCOCC(=O)C[C@@H]1CCC(=O)N1 1458a_100000745993_100015189358 [0,0,0,1,0,1|2,0,0]=4 7390 B14R1.157 CCCOCC(=O)C[C@H]1COC(=O)N1 1458a_100000745993_100015307671 [0,0,0,1,0,1|2,0,0]=4 7391 B14R1.157 CCCSCC(=O)CC1CNC(=O)O1 1458a_100000217233_100000181169 [0,0,0,1,0,1|1,0,0]=3 7392 B14R1.157 CCCSCC(=O)CC1COC(=O)O1 1458a_100000217233_100000073702 [0,0,0,1,0,1|1,0,0]=3 7393 B14R1.157 CCCSCC(=O)C[C@@H]1CCC(=O)N1 1458a_100000217233_100015189358 [0,0,0,1,0,1|2,0,0]=4 7394 B14R1.157 CCCSCC(=O)C[C@H]1COC(=O)N1 1458a_100000217233_100015307671 [0,0,0,1,0,1|2,0,0]=4 7395 B14R1.157 CCOCCC(=O)CC1CCC(=O)N1 1458a_100000026770_100011215890 [0,0,0,1,0,1|2,0,0]=4 7396 B14R1.157 CCOCCC(=O)CC1CNC(=O)O1 1458a_100000749530_100000181169 [0,0,0,1,0,1|1,0,0]=3 7397 B14R1.157 CCOCCC(=O)CC1COC(=O)O1 1458a_100000749530_100000073702 [0,0,0,1,0,1|1,0,0]=3 7398 B14R1.157 CCOCCC(=O)C[C@@H]1CCC(=O)N1 1458a_100000749530_100015189358 [0,0,0,1,0,1|2,0,0]=4 7399 B14R1.157 CCOCCC(=O)C[C@H]1COC(=O)N1 1458a_100000749530_100015307671 [0,0,0,1,0,1|2,0,0]=4 7400 B14R1.157 CCSCCC(=O)CC1CCC(=O)N1 1458a_100000026770_100000757381 [0,0,0,1,0,1|2,0,0]=4 7401 B14R1.157 CCSCCC(=O)CC1CNC(=O)O1 1458a_100000230768_100000181169 [0,0,0,1,0,1|1,0,0]=3 7402 B14R1.157 CCSCCC(=O)CC1COC(=O)O1 1458a_100000230768_100000073702 [0,0,0,1,0,1|1,0,0]=3 7403 B14R1.157 CCSCCC(=O)C[C@@H]1CCC(=O)N1 1458a_100000230768_100015189358 [0,0,0,1,0,1|2,0,0]=4 7404 B14R1.157 CCSCCC(=O)C[C@H]1COC(=O)N1 1458a_100000230768_100015307671 [0,0,0,1,0,1|2,0,0]=4 7405 B14R1.157 COCCCC(=O)CC1CCC(=O)N1 1458a_100000026770_100000740836 [0,0,0,1,0,1|2,0,0]=4 7406 B14R1.157 COCCCC(=O)CC1CNC(=O)O1 1458a_100000741012_100000181169 [0,0,0,1,0,1|1,0,0]=3 7407 B14R1.157 COCCCC(=O)CC1COC(=O)O1 1458a_100000741012_100000073702 [0,0,0,1,0,1|1,0,0]=3 7408 B14R1.157 COCCCC(=O)C[C@@H]1CCC(=O)N1 1458a_100000741012_100015189358 [0,0,0,1,0,1|2,0,0]=4 7409 B14R1.157 COCCCC(=O)C[C@H]1COC(=O)N1 1458a_100000741012_100015307671 [0,0,0,1,0,1|2,0,0]=4 7410 B14R1.157 CSCCCC(=O)CC1CNC(=O)O1 1458a_100000173376_100000181169 [0,0,0,1,0,1|1,0,0]=3 7411 B14R1.157 CSCCCC(=O)CC1COC(=O)O1 1458a_100000173376_100000073702 [0,0,0,1,0,1|1,0,0]=3 7412 B14R1.157 CSCCCC(=O)C[C@@H]1CCC(=O)N1 1458a_100000173376_100015189358 [0,0,0,1,0,1|2,0,0]=4 7413 B14R1.157 CSCCCC(=O)C[C@H]1COC(=O)N1 1458a_100000173376_100015307671 [0,0,0,1,0,1|2,0,0]=4 7414 B14R1.157 N#CCCCC(=O)CC1CNC(=O)O1 1458a_100000075515_100000181169 [0,0,0,1,0,1|1,0,1]=4 7415 B14R1.157 N#CCCCC(=O)CC1COC(=O)O1 1458a_100000075515_100000073702 [0,0,0,1,0,1|1,0,1]=4 7416 B14R1.157 O=C(CCCCF)CC1CCC(=O)N1 1458a_100000026770_100000729493 [0,0,0,1,0,1|2,0,0]=4 7417 B14R1.157 O=C(CCCCO)CC1CCC(=O)N1 1458a_100000026770_100000210776 [0,0,0,1,0,1|2,0,0]=4 7418 B14R1.157 O=C(CCCCO)CC1CNC(=O)O1 1458a_100000695505_100000181169 [0,0,0,1,0,1|1,0,0]=3 7419 B14R1.157 O=C(CCCCO)CC1COC(=O)O1 1458a_100000695505_100000073702 [0,0,0,1,0,1|1,0,0]=3 7420 B14R1.157 O=C(CCCCO)C[C@@H]1CCC(=O)N1 1458a_100000695505_100015189358 [0,0,0,1,0,1|2,0,0]=4 7421 B14R1.157 O=C(CCCCO)C[C@H]1COC(=O)N1 1458a_100000695505_100015307671 [0,0,0,1,0,1|2,0,0]=4 7422 B14R1.157 O=C(COCCO)CC1CNC(=O)O1 1458a_100000708028_100000181169 [0,0,0,1,0,1|2,0,0]=4 7423 B14R1.157 O=C(COCCO)CC1COC(=O)O1 1458a_100000708028_100000073702 [0,0,0,1,0,1|2,0,0]=4 7424 B14R1.329 C=C(C)CCSC1CCCCCC1=O 62a_100000243696_100000730704 [0,0,0,1,0,1|2,0,0]=4 7425 B14R1.329 C=C(C)CCSC1CCCCCC1=O 62a_100000730704_100000243696 [0,0,0,1,0,1|2,0,0]=4 7426 B14R1.329 CC(=O)CCOC1CCCCCC1=O 7a_100000759926_100000243696 [0,0,0,1,0,1|1,0,0]=3 7427 B14R1.329 CC(=O)CCOC1CCCCNC1=O 7a_100000759926_100000735217 [0,0,0,1,0,1|2,0,0]=4 7428 B14R1.329 CC(=O)CCSC1CCCCCC1=O 62a_100000053229_100000243696 [0,0,0,1,0,1|1,0,0]=3 7429 B14R1.329 CC(=O)CCSC1CCCCCC1=O 62a_100000243696_100000053229 [0,0,0,1,0,1|1,0,0]=3 7430 B14R1.329 CC(=O)CCSC1CCCCNC1=O 62a_100000053229_100000735217 [0,0,0,1,0,1|2,0,0]=4 7431 B14R1.329 CC(=O)CCSC1CCCCNC1=O 62a_100000735217_100000053229 [0,0,0,1,0,1|2,0,0]=4 7432 B14R1.329 CC(=O)OCSC1CCCCCC1=O 62a_100000076356_100000243696 [0,0,0,1,0,1|2,0,0]=4 7433 B14R1.329 CC(=O)OCSC1CCCCCC1=O 62a_100000243696_100000076356 [0,0,0,1,0,1|2,0,0]=4 7434 B14R1.329 CC(O)CCSC1CCCCCC1=O 62a_100000243696_100012276601 [0,0,0,1,0,1|1,0,1]=4 7435 B14R1.329 CC(O)CCSC1CCCCCC1=O 62a_100012276601_100000243696 [0,0,0,1,0,1|1,0,1]=4 7436 B14R1.329 NC(=O)CCNC1CCCCNC1=O 2230a_100000698827_100000744528 [0,0,0,1,0,1|2,0,0]=4 7437 B14R1.329 NC(=O)CCNC1CCCCNC1=O 34a_100000698827_100000731001 [0,0,0,1,0,1|2,0,0]=4 7438 B14R1.329 NC(=O)CCOC1CCCCCC1=O 7a_100000757172_100000243696 [0,0,0,1,0,1|1,0,0]=3 7439 B14R1.329 NC(=O)CCOC1CCCCNC1=O 7a_100000757172_100000735217 [0,0,0,1,0,1|2,0,0]=4 7440 B14R1.329 NC(=O)CCSC1CCCCCC1=O 62a_100000243696_100000744528 [0,0,0,1,0,1|1,0,0]=3 7441 B14R1.329 NC(=O)CCSC1CCCCCC1=O 62a_100000744528_100000243696 [0,0,0,1,0,1|1,0,0]=3 7442 B14R1.329 NC(=O)CCSC1CCCCNC1=O 62a_100000735217_100000744528 [0,0,0,1,0,1|2,0,0]=4 7443 B14R1.329 NC(=O)CCSC1CCCCNC1=O 62a_100000744528_100000735217 [0,0,0,1,0,1|2,0,0]=4 7444 B14R1.329 O=C(O)CONC1CCCCCC1=O 269956a_100000106656_100000243696 [0,0,0,1,0,1|1,0,0]=3 7445 B14R1.329 O=C(O)CONC1CCCCNC1=O 269956a_100000106656_100000735217 [0,0,0,1,0,1|2,0,0]=4 7446 B14R1.418 CC(=O)CCCCC(=O)C1CCCC1 1458a_100000210718_100000735457 [0,0,0,1,0,1|1,0,0]=3 7447 B14R1.418 CC(=O)CCCCC(=O)C1CCCS1 1458a_100012002731_100000735457 [0,0,0,1,0,1|2,0,0]=4 7448 B14R1.418 CC(=O)CCCCC(=O)C1CCOC1 1458a_100011219752_100000735457 [0,0,0,1,0,1|2,0,0]=4 7449 B14R1.418 CC(=O)CCCCC(=O)[C@@H]1CCCO1 1458a_100000686382_100000735457 [0,0,0,1,0,1|2,0,0]=4 7450 B14R1.418 CC(=O)CCOCC(=O)N1CCCC1 34a_100000759926_100000183516 [0,0,0,1,0,1|2,0,0]=4 7451 B14R1.418 CC(=O)CCOCC(=O)N1CCCC1 7a_100000759926_100000183516 [0,0,0,1,0,1|2,0,0]=4 7452 B14R1.418 CC(=O)CCOCC(=O)N1CCCC1 7a_200000752455_100000053229 [0,0,0,1,0,1|2,0,0]=4 7453 B14R1.418 CC(=O)CCSCC(=O)N1CCCC1 62a_100000053229_100000183516 [0,0,0,1,0,1|2,0,0]=4 7454 B14R1.418 CC(=O)CCSCC(=O)N1CCCC1 62a_100000183516_100000053229 [0,0,0,1,0,1|2,0,0]=4 7455 B14R1.418 CC(=O)COCCC(=O)N1CCCC1 34a_100000211253_100011194422 [0,0,0,1,0,1|2,0,0]=4 7456 B14R1.418 CC(=O)NCCCC(=O)C1CCCC1 1458a_100000194741_100000179811 [0,0,0,1,0,1|1,0,0]=3 7457 B14R1.418 CC(=O)NCCCC(=O)C1CCOC1 1458a_100000194741_100000690089 [0,0,0,1,0,1|2,0,0]=4 7458 B14R1.418 CC(=O)NCCCC(=O)N1CCCC1 240690a_100000188435_100000194741 [0,0,0,1,0,1|2,0,0]=4 7459 B14R1.418 CC(=O)NCCCC(=O)N1CCCC1 527a_100000188435_100000194741 [0,0,0,1,0,1|2,0,0]=4 7460 B14R1.418 CC(=O)NCCNC(=O)C1CCCC1 240690a_100000209853_100000210718 [0,0,0,1,0,1|2,0,0]=4 7461 B14R1.418 CC(=O)NCCNC(=O)C1CCCC1 527a_100000209853_100000210718 [0,0,0,1,0,1|2,0,0]=4 7462 B14R1.418 CC(=O)OCCCC(=O)C1CCCC1 1458a_100000210718_100000042594 [0,0,0,1,0,1|1,0,0]=3 7463 B14R1.418 CC(=O)OCCCC(=O)C1CCCS1 1458a_100012002731_100000042594 [0,0,0,1,0,1|2,0,0]=4 7464 B14R1.418 CC(=O)OCCCC(=O)C1CCOC1 1458a_100011219752_100000042594 [0,0,0,1,0,1|2,0,0]=4 7465 B14R1.418 CC(=O)OCCCC(=O)[C@@H]1CCCO1 1458a_100000686382_100000042594 [0,0,0,1,0,1|2,0,0]=4 7466 B14R1.418 CC(=O)OCCNC(=O)C1CCCC1 11a_100000724843_100000210718 [0,0,0,1,0,1|2,0,0]=4 7467 B14R1.418 CC(=O)OCCNC(=O)C1CCCC1 240690a_100000724843_100000210718 [0,0,0,1,0,1|2,0,0]=4 7468 B14R1.418 CC(=O)OCCNC(=O)C1CCCC1 527a_100000724843_100000210718 [0,0,0,1,0,1|2,0,0]=4 7469 B14R1.418 CC(=O)SCCCC(=O)C1CCCC1 1458a_100000210718_100000038929 [0,0,0,1,0,1|1,0,0]=3 7470 B14R1.418 CC(=O)SCCCC(=O)C1CCCS1 1458a_100012002731_100000038929 [0,0,0,1,0,1|2,0,0]=4 7471 B14R1.418 CC(=O)SCCCC(=O)C1CCOC1 1458a_100011219752_100000038929 [0,0,0,1,0,1|2,0,0]=4 7472 B14R1.418 CC(=O)SCCCC(=O)[C@@H]1CCCO1 1458a_100000686382_100000038929 [0,0,0,1,0,1|2,0,0]=4 7473 B14R1.418 CC(=O)SCCNC(=O)C1CCCC1 11a_100020647217_100000210718 [0,0,0,1,0,1|2,0,0]=4 7474 B14R1.418 CC(=O)SCCNC(=O)C1CCCC1 240690a_100020647217_100000210718 [0,0,0,1,0,1|2,0,0]=4 7475 B14R1.418 CC(=O)SCCNC(=O)C1CCCC1 527a_100020647217_100000210718 [0,0,0,1,0,1|2,0,0]=4 7476 B14R1.418 CC(=S)OCCCC(=O)C1CCCC1 1458a_100000210718_200135323944 [0,0,0,1,0,1|1,1,0]=4 7477 B14R1.418 CS(=O)CCCNC(=O)C1CCCC1 11a_200000753449_100000210718 [0,0,0,1,0,1|2,0,0]=4 7478 B14R1.418 CS(=O)CCCNC(=O)C1CCCC1 240690a_200000753449_100000210718 [0,0,0,1,0,1|2,0,0]=4 7479 B14R1.418 CS(=O)CCCNC(=O)C1CCCC1 527a_200000753449_100000210718 [0,0,0,1,0,1|2,0,0]=4 7480 B14R1.418 NC(=NCCCC(=O)C1CCCC1)N 1458a_100000034108_100000179811 [0,0,0,1,0,1|2,0,0]=4 7481 B14R1.418 NC(=O)CCCNC(=O)C1CCCC1 240690a_100000739312_100000210718 [0,0,0,1,0,1|1,0,0]=3 7482 B14R1.418 NC(=O)CCCNC(=O)C1CCCC1 527a_100000739312_100000210718 [0,0,0,1,0,1|1,0,0]=3 7483 B14R1.418 NC(=O)CCCNC(=O)C1CCCS1 240690a_100000739312_100012002731 [0,0,0,1,0,1|2,0,0]=4 7484 B14R1.418 NC(=O)CCCNC(=O)C1CCCS1 527a_100000739312_100012002731 [0,0,0,1,0,1|2,0,0]=4 7485 B14R1.418 NC(=O)CCCNC(=O)C1CCOC1 240690a_100000739312_100011219752 [0,0,0,1,0,1|2,0,0]=4 7486 B14R1.418 NC(=O)CCCNC(=O)C1CCOC1 527a_100000739312_100011219752 [0,0,0,1,0,1|2,0,0]=4 7487 B14R1.418 NC(=O)CCCNC(=O)N1CCCC1 273464a_100000739312_100000188435 [0,0,0,1,0,1|2,0,0]=4 7488 B14R1.418 NC(=O)CCCNC(=O)[C@@H]1CCCO1 240690a_100000739312_100000686382 [0,0,0,1,0,1|2,0,0]=4 7489 B14R1.418 NC(=O)CCCNC(=O)[C@@H]1CCCO1 527a_100000739312_100000686382 [0,0,0,1,0,1|2,0,0]=4 7490 B14R1.418 NC(=O)CCNCC(=O)N1CCCC1 2230a_100000751844_100000744528 [0,0,0,1,0,1|2,0,0]=4 7491 B14R1.418 NC(=O)CCOCC(=O)N1CCCC1 34a_100000757172_100000183516 [0,0,0,1,0,1|2,0,0]=4 7492 B14R1.418 NC(=O)CCOCC(=O)N1CCCC1 7a_100000757172_100000183516 [0,0,0,1,0,1|2,0,0]=4 7493 B14R1.418 NC(=O)CCOCC(=O)N1CCCC1 7a_200000752455_100000744528 [0,0,0,1,0,1|2,0,0]=4 7494 B14R1.418 NC(=O)CCSCC(=O)N1CCCC1 62a_100000183516_100000744528 [0,0,0,1,0,1|2,0,0]=4 7495 B14R1.418 NC(=O)CCSCC(=O)N1CCCC1 62a_100000744528_100000183516 [0,0,0,1,0,1|2,0,0]=4 7496 B14R1.418 NC(=O)CNCCC(=O)N1CCCC1 2230a_100000711301_100011194422 [0,0,0,1,0,1|2,0,0]=4 7497 B14R1.418 NC(=O)COCCC(=O)C1CCCC1 1458a_100000210718_100000076697 [0,0,0,1,0,1|1,0,0]=3 7498 B14R1.418 NC(=O)COCCC(=O)C1CCCS1 1458a_100012002731_100000076697 [0,0,0,1,0,1|2,0,0]=4 7499 B14R1.418 NC(=O)COCCC(=O)C1CCOC1 1458a_100011219752_100000076697 [0,0,0,1,0,1|2,0,0]=4 7500 B14R1.418 NC(=O)COCCC(=O)[C@@H]1CCCO1 1458a_100000686382_100000076697 [0,0,0,1,0,1|2,0,0]=4 7501 B14R1.418 NC(=O)CSCCC(=O)C1CCCC1 1458a_100000148550_100000179811 [0,0,0,1,0,1|1,0,0]=3 7502 B14R1.418 NC(=O)CSCCC(=O)C1CCOC1 1458a_100000148550_100000690089 [0,0,0,1,0,1|2,0,0]=4 7503 B14R1.418 NC(=O)CSCCC(=O)N1CCCC1 240690a_100000188435_100000148550 [0,0,0,1,0,1|2,0,0]=4 7504 B14R1.418 NC(=O)CSCCC(=O)N1CCCC1 527a_100000188435_100000148550 [0,0,0,1,0,1|2,0,0]=4 7505 B14R1.418 NC(=O)CSCCC(=O)N1CCCC1 62a_100000747473_100011194422 [0,0,0,1,0,1|2,0,0]=4 7506 B14R1.418 NC(=O)CSCCC(=O)N1CCCC1 62a_100011194422_100000747473 [0,0,0,1,0,1|2,0,0]=4 7507 B14R1.418 NC(=O)NCCNC(=O)C1CCCC1 240690a_100020590234_100000210718 [0,0,0,1,0,1|2,0,0]=4 7508 B14R1.418 NC(=O)NCCNC(=O)C1CCCC1 527a_100020590234_100000210718 [0,0,0,1,0,1|2,0,0]=4 7509 B14R1.418 O=C(CCCCB(O)O)C1CCCC1 1458a_100000210718_200009817182 [0,0,0,1,0,1|1,0,1]=4 7510 B14R1.418 O=C(O)CNCCC(=O)N1CCCC1 269956a_100016091260_100011194422 [0,0,0,1,0,1|1,0,0]=3 7511 B14R1.418 O=C(O)CONCC(=O)N1CCCC1 269956a_100000106656_100000183516 [0,0,0,1,0,1|2,0,0]=4 7512 B14R1.418 O=C([O-])CSCCC(=O)N1CCCC1 62a_100011194422_100020667443 [0,0,0,1,0,1|1,0,1]=4 7513 B14R1.418 O=C([O-])CSCCC(=O)N1CCCC1 62a_100020667443_100011194422 [0,0,0,1,0,1|1,0,1]=4 7514 B14R1.886 CCCCCN1CCC(C1)CC(=O)O 269956a_100000719201_100000210326 [0,0,0,1,0,1|2,0,0]=4 7515 B14R1.1037 CCCCCC(=O)COCC[C@@H]1CO1 34a_100009820653_200012276598 [0,0,0,1,0,1|1,0,1]=4 7516 B14R1.1037 CCCCCC(=O)CSCCC1CO1 62a_100000732470_200012276598 [0,0,0,1,0,1|1,0,1]=4 7517 B14R1.1037 CCCCCC(=O)CSCCC1CO1 62a_200012276598_100000732470 [0,0,0,1,0,1|1,0,1]=4 7518 B14R1.1039 C=C1CC(C1)CNC(=O)CCCCC 11a_100102567296_100000212188 [0,0,0,1,0,1|2,0,0]=4 7519 B14R1.1039 C=C1CC(C1)CNC(=O)CCCCC 1626a_100102567296_100000212188 [0,0,0,1,0,1|2,0,0]=4 7520 B14R1.1039 C=C1CC(C1)CNC(=O)CCCCC 240690a_100102567296_100000212188 [0,0,0,1,0,1|2,0,0]=4 7521 B14R1.1039 C=C1CC(C1)CNC(=O)CCCCC 527a_100102567296_100000212188 [0,0,0,1,0,1|2,0,0]=4 7522 B14R1.1039 C=C1CC(C1)NCC(=O)CCCCC 2230a_100132301982_200012276598 [0,0,0,1,0,1|2,0,0]=4 7523 B14R1.1039 CCCCCC(=O)CN[C@H]1C[C@@H](C1)O 2230a_100020629032_200012276598 [0,0,0,1,0,1|1,0,1]=4 7524 B14R1.1039 CCCCCC(=O)CSC1CC(=O)C1 62a_100009894365_200012276598 [0,0,0,1,0,1|1,0,0]=3 7525 B14R1.1039 CCCCCC(=O)NCC1CC(C1)O 11a_100016992100_100000212188 [0,0,0,1,0,1|1,0,1]=4 7526 B14R1.1039 CCCCCC(=O)NCC1CC(C1)O 240690a_100016992100_100000212188 [0,0,0,1,0,1|1,0,1]=4 7527 B14R1.1039 CCCCNC(=O)CSC1CC(=O)C1 62a_100009894365_100000182744 [0,0,0,1,0,1|2,0,0]=4 7528 B14R1.1039 CCCCOC(=O)CSC1CC(=O)C1 62a_100009894365_100000211628 [0,0,0,1,0,1|2,0,0]=4 7529 B14R1.2043 CCC1CC1C(=O)CCCCB(O)O 1458a_200011661523_200009817182 [0,0,0,1,0,1|1,0,1]=4 7530 B14R1.2043 CCC1CC1C(=O)CCCCC(=O)C 1458a_200011661523_100000735457 [0,0,0,1,0,1|1,0,0]=3 7531 B14R1.2043 CCC1CC1C(=O)CCCOC(=O)C 1458a_200011661523_100000042594 [0,0,0,1,0,1|1,0,0]=3 7532 B14R1.2043 CCC1CC1C(=O)CCCOC(=S)C 1458a_200011661523_200135323944 [0,0,0,1,0,1|1,1,0]=4 7533 B14R1.2043 CCC1CC1C(=O)CCCSC(=O)C 1458a_200011661523_100000038929 [0,0,0,1,0,1|1,0,0]=3 7534 B14R1.2043 CCC1CC1C(=O)CCOCC(=O)N 1458a_200011661523_100000076697 [0,0,0,1,0,1|1,0,0]=3 7535 B14R1.2043 CCC1CC1C(=O)NCCCC(=O)N 240690a_100000739312_200011661523 [0,0,0,1,0,1|1,0,0]=3 7536 B14R1.2043 CCC1CC1C(=O)NCCCC(=O)N 527a_100000739312_200011661523 [0,0,0,1,0,1|1,0,0]=3 7537 B14R1.2043 CCC1CC1C(=O)NCCCS(=O)C 11a_200000753449_200011661523 [0,0,0,1,0,1|2,0,0]=4 7538 B14R1.2043 CCC1CC1C(=O)NCCCS(=O)C 240690a_200000753449_200011661523 [0,0,0,1,0,1|2,0,0]=4 7539 B14R1.2043 CCC1CC1C(=O)NCCCS(=O)C 527a_200000753449_200011661523 [0,0,0,1,0,1|2,0,0]=4 7540 B14R1.2043 CCC1CC1C(=O)NCCNC(=O)C 240690a_100000209853_200011661523 [0,0,0,1,0,1|2,0,0]=4 7541 B14R1.2043 CCC1CC1C(=O)NCCNC(=O)C 527a_100000209853_200011661523 [0,0,0,1,0,1|2,0,0]=4 7542 B14R1.2043 CCC1CC1C(=O)NCCNC(=O)N 240690a_100020590234_200011661523 [0,0,0,1,0,1|2,0,0]=4 7543 B14R1.2043 CCC1CC1C(=O)NCCNC(=O)N 527a_100020590234_200011661523 [0,0,0,1,0,1|2,0,0]=4 7544 B14R1.2043 CCC1CC1C(=O)NCCOC(=O)C 11a_100000724843_200011661523 [0,0,0,1,0,1|2,0,0]=4 7545 B14R1.2043 CCC1CC1C(=O)NCCOC(=O)C 240690a_100000724843_200011661523 [0,0,0,1,0,1|2,0,0]=4 7546 B14R1.2043 CCC1CC1C(=O)NCCOC(=O)C 527a_100000724843_200011661523 [0,0,0,1,0,1|2,0,0]=4 7547 B14R1.2043 CCC1CC1C(=O)NCCSC(=O)C 11a_100020647217_200011661523 [0,0,0,1,0,1|2,0,0]=4 7548 B14R1.2043 CCC1CC1C(=O)NCCSC(=O)C 240690a_100020647217_200011661523 [0,0,0,1,0,1|2,0,0]=4 7549 B14R1.2043 CCC1CC1C(=O)NCCSC(=O)C 527a_100020647217_200011661523 [0,0,0,1,0,1|2,0,0]=4 7550 B14R1.3027 CC(=O)N1CC[C@H]1C(=O)CCCCF 1458a_200015362969_100000729493 [0,0,0,1,0,1|2,0,0]=4 7551 B14R1.3027 CC(=O)N1CC[C@H]1C(=O)CCCCO 1458a_200015362969_100000210776 [0,0,0,1,0,1|2,0,0]=4 7552 B14R1.3027 CCCCCC(=O)[C@@H]1CCN1C(=O)C 1458a_200015362969_100000210326 [0,0,0,1,0,1|1,0,0]=3 7553 B14R1.3027 CCCCCC(C)N1CCC1C(=O)O 269956a_100000021838_200011218191 [0,0,0,1,0,1|1,0,1]=4 7554 B14R1.3027 CCCCNC(=O)[C@@H]1CCN1C(=O)C 11a_100000102301_200015362969 [0,0,0,1,0,1|2,0,0]=4 7555 B14R1.3027 CCCCNC(=O)[C@@H]1CCN1C(=O)C 1626a_100000102301_200015362969 [0,0,0,1,0,1|2,0,0]=4 7556 B14R1.3027 CCCCNC(=O)[C@@H]1CCN1C(=O)C 240690a_100000102301_200015362969 [0,0,0,1,0,1|2,0,0]=4 7557 B14R1.3027 CCCCNC(=O)[C@@H]1CCN1C(=O)C 527a_100000102301_200015362969 [0,0,0,1,0,1|2,0,0]=4 7558 B14R1.3027 CCOCCC(=O)[C@@H]1CCN1C(=O)C 1458a_200015362969_100011215890 [0,0,0,1,0,1|2,0,0]=4 7559 B14R1.3027 CCSCCC(=O)[C@@H]1CCN1C(=O)C 1458a_200015362969_100000757381 [0,0,0,1,0,1|2,0,0]=4 7560 B14R1.3027 COCCCC(=O)[C@@H]1CCN1C(=O)C 1458a_200015362969_100000740836 [0,0,0,1,0,1|2,0,0]=4 7561 B14R1.4781 CC(=O)NCCCC(=O)N1CCC1C 11a_100000755817_100000194741 [0,0,0,1,0,1|2,0,0]=4 7562 B14R1.4781 CC(=O)NCCCC(=O)N1CCC1C 240690a_100000755817_100000194741 [0,0,0,1,0,1|2,0,0]=4 7563 B14R1.4781 CC(=O)NCCCC(=O)N1CCC1C 527a_100000755817_100000194741 [0,0,0,1,0,1|2,0,0]=4 7564 B14R1.4781 CC1CCN1C(=O)CCSCC(=O)N 11a_100000755817_100000148550 [0,0,0,1,0,1|2,0,0]=4 7565 B14R1.4781 CC1CCN1C(=O)CCSCC(=O)N 240690a_100000755817_100000148550 [0,0,0,1,0,1|2,0,0]=4 7566 B14R1.4781 CC1CCN1C(=O)CCSCC(=O)N 527a_100000755817_100000148550 [0,0,0,1,0,1|2,0,0]=4 7567 B14R1.4781 CC1CCN1C(=O)NCCCC(=O)N 273464a_100000739312_100000755817 [0,0,0,1,0,1|2,0,0]=4 7568 B14R1.6343 O=C(O)CNCCN1CCCCCC1 269956a_100016091260_100000722644 [0,0,0,1,0,1|2,0,0]=4 7569 B14R1.6366 CC(=O)CCCCC(=O)CC1CCC1 1458a_100000763092_100000735457 [0,0,0,1,0,1|1,0,0]=3 7570 B14R1.6366 CC(=O)CCCCC(=O)CC1COC1 1458a_100000687760_100000735457 [0,0,0,1,0,1|2,0,0]=4 7571 B14R1.6366 CC(=O)NCCCC(=O)CC1CCC1 1458a_100000194741_100000763275 [0,0,0,1,0,1|1,0,0]=3 7572 B14R1.6366 CC(=O)NCCCC(=O)CC1CCO1 1458a_100000194741_100000103362 [0,0,0,1,0,1|2,0,0]=4 7573 B14R1.6366 CC(=O)NCCCC(=O)CC1COC1 1458a_100000194741_100010264016 [0,0,0,1,0,1|2,0,0]=4 7574 B14R1.6366 CC(=O)NCCCC(=O)NC1CCC1 11a_100000749019_100000194741 [0,0,0,1,0,1|2,0,0]=4 7575 B14R1.6366 CC(=O)NCCCC(=O)NC1CCC1 1626a_100000749019_100000194741 [0,0,0,1,0,1|2,0,0]=4 7576 B14R1.6366 CC(=O)NCCCC(=O)NC1CCC1 240690a_100000749019_100000194741 [0,0,0,1,0,1|2,0,0]=4 7577 B14R1.6366 CC(=O)NCCCC(=O)NC1CCC1 527a_100000749019_100000194741 [0,0,0,1,0,1|2,0,0]=4 7578 B14R1.6366 CC(=O)NCCNC(=O)CC1CCC1 240690a_100000209853_100000763092 [0,0,0,1,0,1|2,0,0]=4 7579 B14R1.6366 CC(=O)NCCNC(=O)CC1CCC1 527a_100000209853_100000763092 [0,0,0,1,0,1|2,0,0]=4 7580 B14R1.6366 CC(=O)OCCCC(=O)CC1CCC1 1458a_100000763092_100000042594 [0,0,0,1,0,1|1,0,0]=3 7581 B14R1.6366 CC(=O)OCCCC(=O)CC1COC1 1458a_100000687760_100000042594 [0,0,0,1,0,1|2,0,0]=4 7582 B14R1.6366 CC(=O)OCCNC(=O)CC1CCC1 11a_100000724843_100000763092 [0,0,0,1,0,1|2,0,0]=4 7583 B14R1.6366 CC(=O)OCCNC(=O)CC1CCC1 240690a_100000724843_100000763092 [0,0,0,1,0,1|2,0,0]=4 7584 B14R1.6366 CC(=O)OCCNC(=O)CC1CCC1 527a_100000724843_100000763092 [0,0,0,1,0,1|2,0,0]=4 7585 B14R1.6366 CC(=O)SCCCC(=O)CC1CCC1 1458a_100000763092_100000038929 [0,0,0,1,0,1|1,0,0]=3 7586 B14R1.6366 CC(=O)SCCCC(=O)CC1COC1 1458a_100000687760_100000038929 [0,0,0,1,0,1|2,0,0]=4 7587 B14R1.6366 CC(=O)SCCNC(=O)CC1CCC1 11a_100020647217_100000763092 [0,0,0,1,0,1|2,0,0]=4 7588 B14R1.6366 CC(=O)SCCNC(=O)CC1CCC1 240690a_100020647217_100000763092 [0,0,0,1,0,1|2,0,0]=4 7589 B14R1.6366 CC(=O)SCCNC(=O)CC1CCC1 527a_100020647217_100000763092 [0,0,0,1,0,1|2,0,0]=4 7590 B14R1.6366 CC(=S)OCCCC(=O)CC1CCC1 1458a_100000763092_200135323944 [0,0,0,1,0,1|1,1,0]=4 7591 B14R1.6366 CS(=O)CCCNC(=O)CC1CCC1 11a_200000753449_100000763092 [0,0,0,1,0,1|2,0,0]=4 7592 B14R1.6366 CS(=O)CCCNC(=O)CC1CCC1 240690a_200000753449_100000763092 [0,0,0,1,0,1|2,0,0]=4 7593 B14R1.6366 CS(=O)CCCNC(=O)CC1CCC1 527a_200000753449_100000763092 [0,0,0,1,0,1|2,0,0]=4 7594 B14R1.6366 NC(=NCCCC(=O)CC1CCC1)N 1458a_100000034108_100000763275 [0,0,0,1,0,1|2,0,0]=4 7595 B14R1.6366 NC(=O)CCCNC(=O)CC1CCC1 240690a_100000739312_100000763092 [0,0,0,1,0,1|1,0,0]=3 7596 B14R1.6366 NC(=O)CCCNC(=O)CC1CCC1 527a_100000739312_100000763092 [0,0,0,1,0,1|1,0,0]=3 7597 B14R1.6366 NC(=O)CCCNC(=O)NC1CCC1 273464a_100000739312_100000749019 [0,0,0,1,0,1|2,0,0]=4 7598 B14R1.6366 NC(=O)CCCNC(=O)NC1CCC1 273464a_100000749019_100000739312 [0,0,0,1,0,1|2,0,0]=4 7599 B14R1.6366 NC(=O)CCCNC(=O)NC1CCC1 512a_100000739312_100000749019 [0,0,0,1,0,1|2,0,0]=4 7600 B14R1.6366 NC(=O)CCCNC(=O)NC1CCC1 512a_100000749019_100000739312 [0,0,0,1,0,1|2,0,0]=4 7601 B14R1.6366 NC(=O)COCCC(=O)CC1CCC1 1458a_100000763092_100000076697 [0,0,0,1,0,1|1,0,0]=3 7602 B14R1.6366 NC(=O)COCCC(=O)CC1COC1 1458a_100000687760_100000076697 [0,0,0,1,0,1|2,0,0]=4 7603 B14R1.6366 NC(=O)CSCCC(=O)CC1CCC1 1458a_100000148550_100000763275 [0,0,0,1,0,1|1,0,0]=3 7604 B14R1.6366 NC(=O)CSCCC(=O)CC1CCO1 1458a_100000148550_100000103362 [0,0,0,1,0,1|2,0,0]=4 7605 B14R1.6366 NC(=O)CSCCC(=O)CC1COC1 1458a_100000148550_100010264016 [0,0,0,1,0,1|2,0,0]=4 7606 B14R1.6366 NC(=O)CSCCC(=O)NC1CCC1 11a_100000749019_100000148550 [0,0,0,1,0,1|2,0,0]=4 7607 B14R1.6366 NC(=O)CSCCC(=O)NC1CCC1 240690a_100000749019_100000148550 [0,0,0,1,0,1|2,0,0]=4 7608 B14R1.6366 NC(=O)CSCCC(=O)NC1CCC1 527a_100000749019_100000148550 [0,0,0,1,0,1|2,0,0]=4 7609 B14R1.6366 NC(=O)NCCNC(=O)CC1CCC1 240690a_100020590234_100000763092 [0,0,0,1,0,1|2,0,0]=4 7610 B14R1.6366 NC(=O)NCCNC(=O)CC1CCC1 527a_100020590234_100000763092 [0,0,0,1,0,1|2,0,0]=4 7611 B14R1.6366 O=C(CCCCB(O)O)CC1CCC1 1458a_100000763092_200009817182 [0,0,0,1,0,1|1,0,1]=4 7612 B14R1.6367 CC(=O)CCCCC(=O)CCC1CC1 1458a_100000756386_100000735457 [0,0,0,1,0,1|1,0,0]=3 7613 B14R1.6367 CC(=O)NCCCC(=O)CCC1CC1 1458a_100000194741_100000694398 [0,0,0,1,0,1|1,0,0]=3 7614 B14R1.6367 CC(=O)NCCCC(=O)CCC1CO1 1458a_100000194741_100000732470 [0,0,0,1,0,1|2,0,0]=4 7615 B14R1.6367 CC(=O)NCCCC(=O)NCC1CC1 11a_100000735609_100000194741 [0,0,0,1,0,1|2,0,0]=4 7616 B14R1.6367 CC(=O)NCCCC(=O)NCC1CC1 1626a_100000735609_100000194741 [0,0,0,1,0,1|2,0,0]=4 7617 B14R1.6367 CC(=O)NCCCC(=O)NCC1CC1 240690a_100000735609_100000194741 [0,0,0,1,0,1|2,0,0]=4 7618 B14R1.6367 CC(=O)NCCCC(=O)NCC1CC1 527a_100000735609_100000194741 [0,0,0,1,0,1|2,0,0]=4 7619 B14R1.6367 CC(=O)NCCNC(=O)CCC1CC1 240690a_100000209853_100000756386 [0,0,0,1,0,1|2,0,0]=4 7620 B14R1.6367 CC(=O)NCCNC(=O)CCC1CC1 527a_100000209853_100000756386 [0,0,0,1,0,1|2,0,0]=4 7621 B14R1.6367 CC(=O)OCCCC(=O)CCC1CC1 1458a_100000756386_100000042594 [0,0,0,1,0,1|1,0,0]=3 7622 B14R1.6367 CC(=O)OCCNC(=O)CCC1CC1 11a_100000724843_100000756386 [0,0,0,1,0,1|2,0,0]=4 7623 B14R1.6367 CC(=O)OCCNC(=O)CCC1CC1 240690a_100000724843_100000756386 [0,0,0,1,0,1|2,0,0]=4 7624 B14R1.6367 CC(=O)OCCNC(=O)CCC1CC1 527a_100000724843_100000756386 [0,0,0,1,0,1|2,0,0]=4 7625 B14R1.6367 CC(=O)SCCCC(=O)CCC1CC1 1458a_100000756386_100000038929 [0,0,0,1,0,1|1,0,0]=3 7626 B14R1.6367 CC(=O)SCCNC(=O)CCC1CC1 11a_100020647217_100000756386 [0,0,0,1,0,1|2,0,0]=4 7627 B14R1.6367 CC(=O)SCCNC(=O)CCC1CC1 240690a_100020647217_100000756386 [0,0,0,1,0,1|2,0,0]=4 7628 B14R1.6367 CC(=O)SCCNC(=O)CCC1CC1 527a_100020647217_100000756386 [0,0,0,1,0,1|2,0,0]=4 7629 B14R1.6367 CC(=S)OCCCC(=O)CCC1CC1 1458a_100000756386_200135323944 [0,0,0,1,0,1|1,1,0]=4 7630 B14R1.6367 CS(=O)CCCNC(=O)CCC1CC1 11a_200000753449_100000756386 [0,0,0,1,0,1|2,0,0]=4 7631 B14R1.6367 CS(=O)CCCNC(=O)CCC1CC1 240690a_200000753449_100000756386 [0,0,0,1,0,1|2,0,0]=4 7632 B14R1.6367 CS(=O)CCCNC(=O)CCC1CC1 527a_200000753449_100000756386 [0,0,0,1,0,1|2,0,0]=4 7633 B14R1.6367 NC(=NCCCC(=O)CCC1CC1)N 1458a_100000034108_100000694398 [0,0,0,1,0,1|2,0,0]=4 7634 B14R1.6367 NC(=O)CCCNC(=O)CCC1CC1 240690a_100000739312_100000756386 [0,0,0,1,0,1|1,0,0]=3 7635 B14R1.6367 NC(=O)CCCNC(=O)CCC1CC1 527a_100000739312_100000756386 [0,0,0,1,0,1|1,0,0]=3 7636 B14R1.6367 NC(=O)CCCNC(=O)NCC1CC1 273464a_100000735609_100000739312 [0,0,0,1,0,1|2,0,0]=4 7637 B14R1.6367 NC(=O)CCCNC(=O)NCC1CC1 273464a_100000739312_100000735609 [0,0,0,1,0,1|2,0,0]=4 7638 B14R1.6367 NC(=O)CCCNC(=O)NCC1CC1 512a_100000735609_100000739312 [0,0,0,1,0,1|2,0,0]=4 7639 B14R1.6367 NC(=O)CCCNC(=O)NCC1CC1 512a_100000739312_100000735609 [0,0,0,1,0,1|2,0,0]=4 7640 B14R1.6367 NC(=O)COCCC(=O)CCC1CC1 1458a_100000756386_100000076697 [0,0,0,1,0,1|1,0,0]=3 7641 B14R1.6367 NC(=O)CSCCC(=O)CCC1CC1 1458a_100000148550_100000694398 [0,0,0,1,0,1|1,0,0]=3 7642 B14R1.6367 NC(=O)CSCCC(=O)CCC1CO1 1458a_100000148550_100000732470 [0,0,0,1,0,1|2,0,0]=4 7643 B14R1.6367 NC(=O)CSCCC(=O)NCC1CC1 11a_100000735609_100000148550 [0,0,0,1,0,1|2,0,0]=4 7644 B14R1.6367 NC(=O)CSCCC(=O)NCC1CC1 240690a_100000735609_100000148550 [0,0,0,1,0,1|2,0,0]=4 7645 B14R1.6367 NC(=O)CSCCC(=O)NCC1CC1 527a_100000735609_100000148550 [0,0,0,1,0,1|2,0,0]=4 7646 B14R1.6367 NC(=O)NCCNC(=O)CCC1CC1 240690a_100020590234_100000756386 [0,0,0,1,0,1|2,0,0]=4 7647 B14R1.6367 NC(=O)NCCNC(=O)CCC1CC1 527a_100020590234_100000756386 [0,0,0,1,0,1|2,0,0]=4 7648 B14R1.6367 O=C(CCCCB(O)O)CCC1CC1 1458a_100000756386_200009817182 [0,0,0,1,0,1|1,0,1]=4 7649 B14R1.37 C#CCCCCC(=O)C1CCC(=O)N1 1458a_100000210400_100010269958 [0,1,0,1,0,0|1,0,1]=4 7650 B14R1.37 C#CCCCCC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_100010269958 [0,1,0,1,0,0|0,0,1]=3 7651 B14R1.37 C#CCCCNC(=O)[C@@H]1CCC(=O)O1 11a_100000718082_100009814974 [0,1,0,1,0,0|0,0,2]=4 7652 B14R1.37 C#CCCCNC(=O)[C@@H]1CCC(=O)O1 1626a_100000718082_100009814974 [0,1,0,1,0,0|0,0,2]=4 7653 B14R1.37 C#CCCCNC(=O)[C@@H]1CCC(=O)O1 240690a_100000718082_100009814974 [0,1,0,1,0,0|0,0,2]=4 7654 B14R1.37 C#CCCCNC(=O)[C@@H]1CCC(=O)O1 527a_100000718082_100009814974 [0,1,0,1,0,0|0,0,2]=4 7655 B14R1.37 C#CCOCCC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_100010402529 [0,1,0,1,0,0|0,0,2]=4 7656 B14R1.37 C=CCCCCC(=O)C1CCC(=O)N1 1458a_100000210400_100011215482 [0,1,0,1,0,0|1,0,1]=4 7657 B14R1.37 C=CCCCCC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_100011215482 [0,1,0,1,0,0|0,0,1]=3 7658 B14R1.37 C=CCCCNC(=O)[C@@H]1CCC(=O)O1 11a_100000700776_100009814974 [0,1,0,1,0,0|0,0,2]=4 7659 B14R1.37 C=CCCCNC(=O)[C@@H]1CCC(=O)O1 1626a_100000700776_100009814974 [0,1,0,1,0,0|0,0,2]=4 7660 B14R1.37 C=CCCCNC(=O)[C@@H]1CCC(=O)O1 240690a_100000700776_100009814974 [0,1,0,1,0,0|0,0,2]=4 7661 B14R1.37 C=CCCCNC(=O)[C@@H]1CCC(=O)O1 527a_100000700776_100009814974 [0,1,0,1,0,0|0,0,2]=4 7662 B14R1.37 CC/C=C\CCC(=O)C1CCC(=O)N1 1458a_100000210400_100015370543 [0,1,0,1,0,0|1,0,1]=4 7663 B14R1.37 CC/C=C\CCC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_100015370543 [0,1,0,1,0,0|0,0,1]=3 7664 B14R1.37 CCCCCCC(=O)C1CCC(=O)N1 1458a_100000210400_100000210757 [0,1,0,1,0,0|1,0,0]=3 7665 B14R1.37 CCCCCCC(=O)C1CCC(C1)O 1458a_100000688591_100000210757 [0,1,0,1,0,0|1,0,1]=4 7666 B14R1.37 CCCCCCC(=O)C1CNC(=O)C1 1458a_100000747279_100000210757 [0,1,0,1,0,0|2,0,0]=4 7667 B14R1.37 CCCCCCC(=O)C1CNC(=O)N1 1458a_100000033324_100000210757 [0,1,0,1,0,0|2,0,0]=4 7668 B14R1.37 CCCCCCC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_100000210757 [0,1,0,1,0,0|0,0,0]=2 7669 B14R1.37 CCCCCCC(=O)[C@@H]1CSC(=O)N1 1458a_100000735014_100000210757 [0,1,0,1,0,0|2,0,0]=4 7670 B14R1.37 CCCCCNC(=O)C1CCC(=O)N1 240690a_100000209983_100000210400 [0,1,0,1,0,0|1,0,0]=3 7671 B14R1.37 CCCCCNC(=O)C1CCC(C1)O 1626a_100000209983_100000688591 [0,1,0,1,0,0|1,0,1]=4 7672 B14R1.37 CCCCCNC(=O)C1CCC(C1)O 240690a_100000209983_100000688591 [0,1,0,1,0,0|1,0,1]=4 7673 B14R1.37 CCCCCNC(=O)C1CNC(=O)C1 11a_100000209983_100000747279 [0,1,0,1,0,0|2,0,0]=4 7674 B14R1.37 CCCCCNC(=O)C1CNC(=O)C1 1626a_100000209983_100000747279 [0,1,0,1,0,0|2,0,0]=4 7675 B14R1.37 CCCCCNC(=O)C1CNC(=O)C1 240690a_100000209983_100000747279 [0,1,0,1,0,0|2,0,0]=4 7676 B14R1.37 CCCCCNC(=O)C1CNC(=O)C1 527a_100000209983_100000747279 [0,1,0,1,0,0|2,0,0]=4 7677 B14R1.37 CCCCCNC(=O)C1CNC(=O)N1 11a_100000209983_100000033324 [0,1,0,1,0,0|2,0,0]=4 7678 B14R1.37 CCCCCNC(=O)C1CNC(=O)N1 240690a_100000209983_100000033324 [0,1,0,1,0,0|2,0,0]=4 7679 B14R1.37 CCCCCNC(=O)[C@@H]1CCC(=O)O1 11a_100000209983_100009814974 [0,1,0,1,0,0|0,0,0]=2 7680 B14R1.37 CCCCCNC(=O)[C@@H]1CCC(=O)O1 1626a_100000209983_100009814974 [0,1,0,1,0,0|0,0,0]=2 7681 B14R1.37 CCCCCNC(=O)[C@@H]1CCC(=O)O1 240690a_100000209983_100009814974 [0,1,0,1,0,0|0,0,0]=2 7682 B14R1.37 CCCCCNC(=O)[C@@H]1CCC(=O)O1 527a_100000209983_100009814974 [0,1,0,1,0,0|0,0,0]=2 7683 B14R1.37 CCCCCNC(=O)[C@@H]1CSC(=O)N1 240690a_100000209983_100000735014 [0,1,0,1,0,0|2,0,0]=4 7684 B14R1.37 CCCCNNC(=O)C1CCC(=O)N1 22a_100025702795_100000210400 [0,1,0,1,0,0|2,0,0]=4 7685 B14R1.37 CCCCNNC(=O)[C@@H]1CCC(=O)O1 22a_100025702795_100009814974 [0,1,0,1,0,0|1,0,0]=3 7686 B14R1.37 CCCCOCC(=O)C1CCC(=O)N1 1458a_100000210400_100011995733 [0,1,0,1,0,0|1,0,0]=3 7687 B14R1.37 CCCCOCC(=O)C1CCC(C1)O 1458a_100000688591_100011995733 [0,1,0,1,0,0|1,0,1]=4 7688 B14R1.37 CCCCOCC(=O)C1CNC(=O)C1 1458a_100000747279_100011995733 [0,1,0,1,0,0|2,0,0]=4 7689 B14R1.37 CCCCOCC(=O)C1CNC(=O)N1 1458a_100000033324_100011995733 [0,1,0,1,0,0|2,0,0]=4 7690 B14R1.37 CCCCOCC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_100011995733 [0,1,0,1,0,0|0,0,0]=2 7691 B14R1.37 CCCCOCC(=O)[C@@H]1CSC(=O)N1 1458a_100000735014_100011995733 [0,1,0,1,0,0|2,0,0]=4 7692 B14R1.37 CCCOCCC(=O)C1CCC(=O)N1 1458a_100000210400_100011215938 [0,1,0,1,0,0|1,0,0]=3 7693 B14R1.37 CCCOCCC(=O)C1CCC(C1)O 1458a_100000688591_100011215938 [0,1,0,1,0,0|1,0,1]=4 7694 B14R1.37 CCCOCCC(=O)C1CNC(=O)C1 1458a_100000747279_100011215938 [0,1,0,1,0,0|2,0,0]=4 7695 B14R1.37 CCCOCCC(=O)C1CNC(=O)N1 1458a_100000033324_100011215938 [0,1,0,1,0,0|2,0,0]=4 7696 B14R1.37 CCCOCCC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_100011215938 [0,1,0,1,0,0|0,0,0]=2 7697 B14R1.37 CCCOCCC(=O)[C@@H]1CSC(=O)N1 1458a_100000735014_100011215938 [0,1,0,1,0,0|2,0,0]=4 7698 B14R1.37 CCOCCCC(=O)C1CCC(=O)N1 1458a_100000210400_100012232248 [0,1,0,1,0,0|1,0,0]=3 7699 B14R1.37 CCOCCCC(=O)C1CCC(C1)O 1458a_100000688591_100012232248 [0,1,0,1,0,0|1,0,1]=4 7700 B14R1.37 CCOCCCC(=O)C1CNC(=O)C1 1458a_100000747279_100012232248 [0,1,0,1,0,0|2,0,0]=4 7701 B14R1.37 CCOCCCC(=O)C1CNC(=O)N1 1458a_100000033324_100012232248 [0,1,0,1,0,0|2,0,0]=4 7702 B14R1.37 CCOCCCC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_100012232248 [0,1,0,1,0,0|0,0,0]=2 7703 B14R1.37 CCOCCCC(=O)[C@@H]1CSC(=O)N1 1458a_100000735014_100012232248 [0,1,0,1,0,0|2,0,0]=4 7704 B14R1.37 CCOCCNC(=O)C1CCC(=O)N1 240690a_100011200944_100000210400 [0,1,0,1,0,0|2,0,0]=4 7705 B14R1.37 CCOCCNC(=O)[C@@H]1CCC(=O)O1 11a_100011200944_100009814974 [0,1,0,1,0,0|1,0,0]=3 7706 B14R1.37 CCOCCNC(=O)[C@@H]1CCC(=O)O1 1626a_102516460346_100009814974 [0,1,0,1,0,0|1,0,0]=3 7707 B14R1.37 CCOCCNC(=O)[C@@H]1CCC(=O)O1 240690a_100011200944_100009814974 [0,1,0,1,0,0|1,0,0]=3 7708 B14R1.37 CCOCCNC(=O)[C@@H]1CCC(=O)O1 527a_100011200944_100009814974 [0,1,0,1,0,0|1,0,0]=3 7709 B14R1.37 CCSCCNC(=O)C1CCC(=O)N1 240690a_100000106463_100000210400 [0,1,0,1,0,0|2,0,0]=4 7710 B14R1.37 CCSCCNC(=O)[C@@H]1CCC(=O)O1 11a_100000106463_100009814974 [0,1,0,1,0,0|1,0,0]=3 7711 B14R1.37 CCSCCNC(=O)[C@@H]1CCC(=O)O1 1626a_100000106463_100009814974 [0,1,0,1,0,0|1,0,0]=3 7712 B14R1.37 CCSCCNC(=O)[C@@H]1CCC(=O)O1 240690a_100000106463_100009814974 [0,1,0,1,0,0|1,0,0]=3 7713 B14R1.37 CCSCCNC(=O)[C@@H]1CCC(=O)O1 527a_100000106463_100009814974 [0,1,0,1,0,0|1,0,0]=3 7714 B14R1.37 COCCCCC(=O)C1CCC(=O)N1 1458a_100000210400_100000755781 [0,1,0,1,0,0|1,0,0]=3 7715 B14R1.37 COCCCCC(=O)C1CCC(C1)O 1458a_100000688591_100000755781 [0,1,0,1,0,0|1,0,1]=4 7716 B14R1.37 COCCCCC(=O)C1CNC(=O)C1 1458a_100000747279_100000755781 [0,1,0,1,0,0|2,0,0]=4 7717 B14R1.37 COCCCCC(=O)C1CNC(=O)N1 1458a_100000033324_100000755781 [0,1,0,1,0,0|2,0,0]=4 7718 B14R1.37 COCCCCC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_100000755781 [0,1,0,1,0,0|0,0,0]=2 7719 B14R1.37 COCCCCC(=O)[C@@H]1CSC(=O)N1 1458a_100000735014_100000755781 [0,1,0,1,0,0|2,0,0]=4 7720 B14R1.37 COCCCNC(=O)C1CCC(=O)N1 240690a_100150723488_100000210400 [0,1,0,1,0,0|2,0,0]=4 7721 B14R1.37 COCCCNC(=O)[C@@H]1CCC(=O)O1 1626a_100150723488_100009814974 [0,1,0,1,0,0|1,0,0]=3 7722 B14R1.37 COCCCNC(=O)[C@@H]1CCC(=O)O1 240690a_100150723488_100009814974 [0,1,0,1,0,0|1,0,0]=3 7723 B14R1.37 COCCCNC(=O)[C@@H]1CCC(=O)O1 527a_100150723488_100009814974 [0,1,0,1,0,0|1,0,0]=3 7724 B14R1.37 COCCNNC(=O)[C@@H]1CCC(=O)O1 22a_100000741390_100009814974 [0,1,0,1,0,0|2,0,0]=4 7725 B14R1.37 CSCCCNC(=O)C1CCC(=O)N1 240690a_100000749238_100000210400 [0,1,0,1,0,0|2,0,0]=4 7726 B14R1.37 CSCCCNC(=O)[C@@H]1CCC(=O)O1 11a_100000749238_100009814974 [0,1,0,1,0,0|1,0,0]=3 7727 B14R1.37 CSCCCNC(=O)[C@@H]1CCC(=O)O1 1626a_100000749238_100009814974 [0,1,0,1,0,0|1,0,0]=3 7728 B14R1.37 CSCCCNC(=O)[C@@H]1CCC(=O)O1 240690a_100000749238_100009814974 [0,1,0,1,0,0|1,0,0]=3 7729 B14R1.37 CSCCCNC(=O)[C@@H]1CCC(=O)O1 527a_100000749238_100009814974 [0,1,0,1,0,0|1,0,0]=3 7730 B14R1.37 N#CCCCCC(=O)C1CCC(=O)N1 1458a_100000210400_100000211819 [0,1,0,1,0,0|1,0,1]=4 7731 B14R1.37 N#CCCCCC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_100000211819 [0,1,0,1,0,0|0,0,1]=3 7732 B14R1.37 N#CCOCCC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_200000047693 [0,1,0,1,0,0|1,0,1]=4 7733 B14R1.37 O=C(CCCCCF)C1CCC(C1)O 1458a_100000688591_100000729378 [0,1,0,1,0,0|1,0,1]=4 7734 B14R1.37 O=C(CCCCCO)C1CCC(C1)O 1458a_100000688591_100000746330 [0,1,0,1,0,0|1,0,1]=4 7735 B14R1.37 O=C1CC(CN1)C(=O)CCCCCF 1458a_100000747279_100000729378 [0,1,0,1,0,0|2,0,0]=4 7736 B14R1.37 O=C1CC(CN1)C(=O)CCCCCO 1458a_100000747279_100000746330 [0,1,0,1,0,0|2,0,0]=4 7737 B14R1.37 O=C1CCC(N1)C(=O)CCCCCF 1458a_100000210400_100000729378 [0,1,0,1,0,0|1,0,0]=3 7738 B14R1.37 O=C1CCC(N1)C(=O)CCCCCO 1458a_100000210400_100000746330 [0,1,0,1,0,0|1,0,0]=3 7739 B14R1.37 O=C1CCC(N1)C(=O)CCOCCO 1458a_100000210400_100011215305 [0,1,0,1,0,0|2,0,0]=4 7740 B14R1.37 O=C1CCC(N1)C(=O)NCCCCO 240690a_100000750430_100000210400 [0,1,0,1,0,0|2,0,0]=4 7741 B14R1.37 O=C1CC[C@H](O1)C(=O)CCCCCF 1458a_100009814974_100000729378 [0,1,0,1,0,0|0,0,0]=2 7742 B14R1.37 O=C1CC[C@H](O1)C(=O)CCCCCO 1458a_100009814974_100000746330 [0,1,0,1,0,0|0,0,0]=2 7743 B14R1.37 O=C1CC[C@H](O1)C(=O)CCOCCO 1458a_100009814974_100011215305 [0,1,0,1,0,0|1,0,0]=3 7744 B14R1.37 O=C1CC[C@H](O1)C(=O)NCCCCO 240690a_100000750430_100009814974 [0,1,0,1,0,0|1,0,0]=3 7745 B14R1.37 O=C1CC[C@H](O1)C(=O)NCCCCO 527a_100000750430_100009814974 [0,1,0,1,0,0|1,0,0]=3 7746 B14R1.37 O=C1NCC(N1)C(=O)CCCCCF 1458a_100000033324_100000729378 [0,1,0,1,0,0|2,0,0]=4 7747 B14R1.37 O=C1NCC(N1)C(=O)CCCCCO 1458a_100000033324_100000746330 [0,1,0,1,0,0|2,0,0]=4 7748 B14R1.37 O=C1N[C@@H](CS1)C(=O)CCCCCF 1458a_100000735014_100000729378 [0,1,0,1,0,0|2,0,0]=4 7749 B14R1.37 O=C1N[C@@H](CS1)C(=O)CCCCCO 1458a_100000735014_100000746330 [0,1,0,1,0,0|2,0,0]=4 7750 B14R1.220 CCCCCN[C@H]1CC[C@H](C1)C(=O)O 269956a_100015195206_100000210326 [0,1,0,1,0,0|1,0,1]=4 7751 B14R1.420 CC(=O)CCCC(=O)C1=CCCCC1 1458a_100000765259_100011215641 [0,1,0,1,0,0|1,0,1]=4 7752 B14R1.420 CC(=O)CCCC(=O)C1CCCCC1 1458a_100000210647_100011215641 [0,1,0,1,0,0|1,0,0]=3 7753 B14R1.420 CC(=O)CCCC(=O)C1CCCCO1 1458a_100000748299_100011215641 [0,1,0,1,0,0|1,0,0]=3 7754 B14R1.420 CC(=O)CCCC(=O)C1CCCOC1 1458a_100000741522_100011215641 [0,1,0,1,0,0|1,0,0]=3 7755 B14R1.420 CC(=O)CCCC(=O)C1CCOCC1 1458a_100000195482_100011215641 [0,1,0,1,0,0|1,0,0]=3 7756 B14R1.420 CC(=O)CCCC(=O)C1CCSCC1 1458a_100000755232_100011215641 [0,1,0,1,0,0|1,0,0]=3 7757 B14R1.420 CC(=O)CCCC(=O)C1COCCO1 1458a_100000045528_100011215641 [0,1,0,1,0,0|2,0,0]=4 7758 B14R1.420 CC(=O)CCCC(=O)C1SCCCS1 1458a_100000028545_100011215641 [0,1,0,1,0,0|2,0,0]=4 7759 B14R1.420 CC(=O)CCCC(=O)[C@H]1CC=CCC1 1458a_100009820709_100011215641 [0,1,0,1,0,0|1,0,1]=4 7760 B14R1.420 CC(=O)COCC(=O)C1CCCCC1 34a_100000211253_100000241979 [0,1,0,1,0,0|2,0,0]=4 7761 B14R1.420 CC(=O)COCC(=O)C1CCOCC1 34a_100000211253_100000689883 [0,1,0,1,0,0|2,0,0]=4 7762 B14R1.420 CC(=O)COCC(=O)N1CCCCC1 34a_100000211253_100000183409 [0,1,0,1,0,0|2,0,0]=4 7763 B14R1.420 CC(=O)CSCC(=O)N1CCCCC1 1458a_100000150318_200000210301 [0,1,0,1,0,0|2,0,0]=4 7764 B14R1.420 CC(=O)NCCC(=O)C1CCCCC1 1458a_100000183196_100000210327 [0,1,0,1,0,0|2,0,0]=4 7765 B14R1.420 CC(=O)NCCC(=O)C1CCCCC1 1458a_100000210647_100000189650 [0,1,0,1,0,0|2,0,0]=4 7766 B14R1.420 CC(=O)NCCC(=O)C1CCCCO1 1458a_100000748299_100000189650 [0,1,0,1,0,0|2,0,0]=4 7767 B14R1.420 CC(=O)NCCC(=O)C1CCCOC1 1458a_100000183196_100000693364 [0,1,0,1,0,0|2,0,0]=4 7768 B14R1.420 CC(=O)NCCC(=O)C1CCCOC1 1458a_100000741522_100000189650 [0,1,0,1,0,0|2,0,0]=4 7769 B14R1.420 CC(=O)NCCC(=O)C1CCOCC1 1458a_100000183196_100011324220 [0,1,0,1,0,0|2,0,0]=4 7770 B14R1.420 CC(=O)NCCC(=O)C1CCOCC1 1458a_100000195482_100000189650 [0,1,0,1,0,0|2,0,0]=4 7771 B14R1.420 CC(=O)NCCC(=O)C1CCSCC1 1458a_100000755232_100000189650 [0,1,0,1,0,0|2,0,0]=4 7772 B14R1.420 CC(=O)NCCC(=O)N1CCCCC1 11a_100000693323_100015343762 [0,1,0,1,0,0|2,0,0]=4 7773 B14R1.420 CC(=O)NCCC(=O)N1CCCCC1 1626a_100000693323_100015343762 [0,1,0,1,0,0|2,0,0]=4 7774 B14R1.420 CC(=O)NCCC(=O)N1CCCCC1 240690a_100000693323_100015343762 [0,1,0,1,0,0|2,0,0]=4 7775 B14R1.420 CC(=O)NCCC(=O)N1CCCCC1 527a_100000693323_100103153847 [0,1,0,1,0,0|2,0,0]=4 7776 B14R1.420 CC(=O)OCCC(=O)C1CCCCC1 1458a_100000210647_100009814007 [0,1,0,1,0,0|2,0,0]=4 7777 B14R1.420 CC(=O)OCCC(=O)C1CCCCO1 1458a_100000748299_100009814007 [0,1,0,1,0,0|2,0,0]=4 7778 B14R1.420 CC(=O)OCCC(=O)C1CCCOC1 1458a_100000741522_100009814007 [0,1,0,1,0,0|2,0,0]=4 7779 B14R1.420 CC(=O)OCCC(=O)C1CCOCC1 1458a_100000195482_100009814007 [0,1,0,1,0,0|2,0,0]=4 7780 B14R1.420 CC(=O)OCCC(=O)C1CCSCC1 1458a_100000755232_100009814007 [0,1,0,1,0,0|2,0,0]=4 7781 B14R1.420 CC(=O)SCCC(=O)C1CCCCC1 1458a_100000048949_100000210327 [0,1,0,1,0,0|2,0,0]=4 7782 B14R1.420 CC(=O)SCCC(=O)C1CCCOC1 1458a_100000048949_100000693364 [0,1,0,1,0,0|2,0,0]=4 7783 B14R1.420 CC(=O)SCCC(=O)C1CCOCC1 1458a_100000048949_100011324220 [0,1,0,1,0,0|2,0,0]=4 7784 B14R1.420 CC(O)CCCC(=O)C1CCCCC1 1458a_100000210647_200000718107 [0,1,0,1,0,0|1,0,1]=4 7785 B14R1.420 CC(O)CCCC(=O)C1CCCCO1 1458a_100000748299_200000718107 [0,1,0,1,0,0|1,0,1]=4 7786 B14R1.420 CC(O)CCCC(=O)C1CCCOC1 1458a_100000741522_200000718107 [0,1,0,1,0,0|1,0,1]=4 7787 B14R1.420 CC(O)CCCC(=O)C1CCOCC1 1458a_100000195482_200000718107 [0,1,0,1,0,0|1,0,1]=4 7788 B14R1.420 CC(O)CCCC(=O)C1CCSCC1 1458a_100000755232_200000718107 [0,1,0,1,0,0|1,0,1]=4 7789 B14R1.420 CN(CCCC(=O)O)C1CCCCC1 269956a_100000719178_100000210327 [0,1,0,1,0,0|2,0,0]=4 7790 B14R1.420 CN(CCCC(=O)O)C1CCCOC1 269956a_100000719178_100000693364 [0,1,0,1,0,0|2,0,0]=4 7791 B14R1.420 CN(CCCC(=O)O)C1CCOCC1 269956a_100000719178_100011324220 [0,1,0,1,0,0|2,0,0]=4 7792 B14R1.420 CN(CCCC(=O)O)C1CCSCC1 269956a_100000719178_100000069128 [0,1,0,1,0,0|2,0,0]=4 7793 B14R1.420 NC(=O)CCCC(=O)C1=CCCCC1 1458a_100000765259_100102525003 [0,1,0,1,0,0|1,0,1]=4 7794 B14R1.420 NC(=O)CCCC(=O)C1CCCCC1 1458a_100000210647_100102525003 [0,1,0,1,0,0|1,0,0]=3 7795 B14R1.420 NC(=O)CCCC(=O)C1CCCCO1 1458a_100000748299_100102525003 [0,1,0,1,0,0|1,0,0]=3 7796 B14R1.420 NC(=O)CCCC(=O)C1CCCOC1 1458a_100000741522_100102525003 [0,1,0,1,0,0|1,0,0]=3 7797 B14R1.420 NC(=O)CCCC(=O)C1CCOCC1 1458a_100000195482_100102525003 [0,1,0,1,0,0|1,0,0]=3 7798 B14R1.420 NC(=O)CCCC(=O)C1CCSCC1 1458a_100000755232_100102525003 [0,1,0,1,0,0|1,0,0]=3 7799 B14R1.420 NC(=O)CCCC(=O)C1COCCO1 1458a_100000045528_100102525003 [0,1,0,1,0,0|2,0,0]=4 7800 B14R1.420 NC(=O)CCCC(=O)C1SCCCS1 1458a_100000028545_100102525003 [0,1,0,1,0,0|2,0,0]=4 7801 B14R1.420 NC(=O)CCCC(=O)[C@H]1CC=CCC1 1458a_100009820709_100102525003 [0,1,0,1,0,0|1,0,1]=4 7802 B14R1.420 NC(=O)CCNC(=O)C1CCCCC1 11a_100000740010_100000210647 [0,1,0,1,0,0|2,0,0]=4 7803 B14R1.420 NC(=O)CCNC(=O)C1CCCCC1 240690a_100000740010_100000210647 [0,1,0,1,0,0|2,0,0]=4 7804 B14R1.420 NC(=O)CCNC(=O)C1CCCCC1 527a_100000740010_100000210647 [0,1,0,1,0,0|2,0,0]=4 7805 B14R1.420 NC(=O)CCNC(=O)C1CCCCO1 11a_100000740010_100000748299 [0,1,0,1,0,0|2,0,0]=4 7806 B14R1.420 NC(=O)CCNC(=O)C1CCCCO1 240690a_100000740010_100000748299 [0,1,0,1,0,0|2,0,0]=4 7807 B14R1.420 NC(=O)CCNC(=O)C1CCCCO1 527a_100000740010_100000748299 [0,1,0,1,0,0|2,0,0]=4 7808 B14R1.420 NC(=O)CCNC(=O)C1CCCOC1 11a_100000740010_100000741522 [0,1,0,1,0,0|2,0,0]=4 7809 B14R1.420 NC(=O)CCNC(=O)C1CCCOC1 240690a_100000740010_100000741522 [0,1,0,1,0,0|2,0,0]=4 7810 B14R1.420 NC(=O)CCNC(=O)C1CCCOC1 527a_100000740010_100000741522 [0,1,0,1,0,0|2,0,0]=4 7811 B14R1.420 NC(=O)CCNC(=O)C1CCOCC1 11a_100000740010_100000195482 [0,1,0,1,0,0|2,0,0]=4 7812 B14R1.420 NC(=O)CCNC(=O)C1CCOCC1 240690a_100000740010_100000195482 [0,1,0,1,0,0|2,0,0]=4 7813 B14R1.420 NC(=O)CCNC(=O)C1CCOCC1 527a_100000740010_100000195482 [0,1,0,1,0,0|2,0,0]=4 7814 B14R1.420 NC(=O)CCNC(=O)C1CCSCC1 11a_100000740010_100000755232 [0,1,0,1,0,0|2,0,0]=4 7815 B14R1.420 NC(=O)CCNC(=O)C1CCSCC1 240690a_100000740010_100000755232 [0,1,0,1,0,0|2,0,0]=4 7816 B14R1.420 NC(=O)CCNC(=O)C1CCSCC1 527a_100000740010_100000755232 [0,1,0,1,0,0|2,0,0]=4 7817 B14R1.420 NC(=O)CNCC(=O)C1CCCCC1 2230a_100000711301_100000241979 [0,1,0,1,0,0|2,0,0]=4 7818 B14R1.420 NC(=O)CNCC(=O)C1CCOCC1 2230a_100000711301_100000689883 [0,1,0,1,0,0|2,0,0]=4 7819 B14R1.420 NC(=O)CNCC(=O)N1CCCCC1 2230a_100000711301_100000183409 [0,1,0,1,0,0|2,0,0]=4 7820 B14R1.420 NC(=O)CNCC(=O)N1CCCCC1 2230a_100000751303_100000747473 [0,1,0,1,0,0|2,0,0]=4 7821 B14R1.420 NC(=O)COCC(=O)C1CCCCC1 1458a_100011219004_100000210327 [0,1,0,1,0,0|2,0,0]=4 7822 B14R1.420 NC(=O)COCC(=O)C1CCCOC1 1458a_100011219004_100000693364 [0,1,0,1,0,0|2,0,0]=4 7823 B14R1.420 NC(=O)COCC(=O)C1CCOCC1 1458a_100011219004_100011324220 [0,1,0,1,0,0|2,0,0]=4 7824 B14R1.420 NC(=O)COCC(=O)N1CCCCC1 7a_100011315646_100000187820 [0,1,0,1,0,0|2,0,0]=4 7825 B14R1.420 NC(=O)CSCC(=O)C1CCCCC1 62a_100000241979_100000747473 [0,1,0,1,0,0|2,0,0]=4 7826 B14R1.420 NC(=O)CSCC(=O)C1CCCCC1 62a_100000747473_100000241979 [0,1,0,1,0,0|2,0,0]=4 7827 B14R1.420 NC(=O)CSCC(=O)C1CCOCC1 62a_100000689883_100000747473 [0,1,0,1,0,0|2,0,0]=4 7828 B14R1.420 NC(=O)CSCC(=O)C1CCOCC1 62a_100000747473_100000689883 [0,1,0,1,0,0|2,0,0]=4 7829 B14R1.420 NC(=O)CSCC(=O)N1CCCCC1 62a_100000183409_100000747473 [0,1,0,1,0,0|2,0,0]=4 7830 B14R1.420 NC(=O)CSCC(=O)N1CCCCC1 62a_100000747473_100000183409 [0,1,0,1,0,0|2,0,0]=4 7831 B14R1.420 NC(=O)NCCC(=O)C1CCCCC1 1458a_100000181464_100000210327 [0,1,0,1,0,0|2,0,0]=4 7832 B14R1.420 NC(=O)NCCC(=O)C1CCCCC1 1458a_100000210647_200000034859 [0,1,0,1,0,0|2,0,0]=4 7833 B14R1.420 NC(=O)NCCC(=O)C1CCCCO1 1458a_100000748299_200000034859 [0,1,0,1,0,0|2,0,0]=4 7834 B14R1.420 NC(=O)NCCC(=O)C1CCCOC1 1458a_100000181464_100000693364 [0,1,0,1,0,0|2,0,0]=4 7835 B14R1.420 NC(=O)NCCC(=O)C1CCCOC1 1458a_100000741522_200000034859 [0,1,0,1,0,0|2,0,0]=4 7836 B14R1.420 NC(=O)NCCC(=O)C1CCOCC1 1458a_100000181464_100011324220 [0,1,0,1,0,0|2,0,0]=4 7837 B14R1.420 NC(=O)NCCC(=O)C1CCOCC1 1458a_100000195482_200000034859 [0,1,0,1,0,0|2,0,0]=4 7838 B14R1.420 NC(=O)NCCC(=O)C1CCSCC1 1458a_100000755232_200000034859 [0,1,0,1,0,0|2,0,0]=4 7839 B14R1.420 NC(=O)OCCC(=O)C1CCCCC1 1458a_100000210647_200011214921 [0,1,0,1,0,0|2,0,0]=4 7840 B14R1.420 NC(=O)OCCC(=O)C1CCCCO1 1458a_100000748299_200011214921 [0,1,0,1,0,0|2,0,0]=4 7841 B14R1.420 NC(=O)OCCC(=O)C1CCCOC1 1458a_100000741522_200011214921 [0,1,0,1,0,0|2,0,0]=4 7842 B14R1.420 NC(=O)OCCC(=O)C1CCOCC1 1458a_100000195482_200011214921 [0,1,0,1,0,0|2,0,0]=4 7843 B14R1.420 NC(=O)OCCC(=O)C1CCSCC1 1458a_100000755232_200011214921 [0,1,0,1,0,0|2,0,0]=4 7844 B14R1.420 O=C(CCC[N+](=O)[O-])C1CCCCC1 1458a_100016109205_100000210327 [0,1,0,1,0,0|1,0,1]=4 7845 B14R1.420 O=C(CCC[N+](=O)[O-])C1CCCOC1 1458a_100016109205_100000693364 [0,1,0,1,0,0|1,0,1]=4 7846 B14R1.420 O=C(CCC[N+](=O)[O-])C1CCOCC1 1458a_100016109205_100011324220 [0,1,0,1,0,0|1,0,1]=4 7847 B14R1.420 O=C(O)CNCC(=O)C1CCCCC1 269956a_100016091260_100000241979 [0,1,0,1,0,0|1,0,0]=3 7848 B14R1.420 O=C(O)CNCC(=O)C1CCOCC1 269956a_100016091260_100000689883 [0,1,0,1,0,0|1,0,0]=3 7849 B14R1.420 O=C(O)CNCC(=O)N1CCCCC1 269956a_100016091260_100000183409 [0,1,0,1,0,0|1,0,0]=3 7850 B14R1.420 O=C(O)CNCC(=O)N1CCOCC1 269956a_100016091260_100000183410 [0,1,0,1,0,0|2,0,0]=4 7851 B14R1.420 O=C([O-])CSCC(=O)C1CCCCC1 62a_100000241979_100020667443 [0,1,0,1,0,0|1,0,1]=4 7852 B14R1.420 O=C([O-])CSCC(=O)C1CCCCC1 62a_100020667443_100000241979 [0,1,0,1,0,0|1,0,1]=4 7853 B14R1.420 O=C([O-])CSCC(=O)C1CCOCC1 62a_100000689883_100020667443 [0,1,0,1,0,0|1,0,1]=4 7854 B14R1.420 O=C([O-])CSCC(=O)C1CCOCC1 62a_100020667443_100000689883 [0,1,0,1,0,0|1,0,1]=4 7855 B14R1.420 O=C([O-])CSCC(=O)N1CCCCC1 62a_100000183409_100020667443 [0,1,0,1,0,0|1,0,1]=4 7856 B14R1.420 O=C([O-])CSCC(=O)N1CCCCC1 62a_100020667443_100000183409 [0,1,0,1,0,0|1,0,1]=4 7857 B14R1.420 [13CH3]C(=O)CSCC(=O)N1CCCCC1 1458a_100000150318_200025704644 [0,1,0,1,0,0|2,0,0]=4 7858 B14R1.760 CCCCN1CC(CCC1C(=O)O)O 269956a_100000089875_100000210211 [0,1,0,1,0,0|0,0,2]=4 7859 B14R1.810 CC(=O)CCCC(=O)C=C1CCCC1 1458a_100000743260_100011215641 [0,1,0,1,0,0|1,0,1]=4 7860 B14R1.810 CC(=O)CCCC(=O)CC1=CCCC1 1458a_100000050221_100011215641 [0,1,0,1,0,0|1,0,1]=4 7861 B14R1.810 CC(=O)CCCC(=O)CC1C=CCC1 1458a_100000212241_100011215641 [0,1,0,1,0,0|1,0,1]=4 7862 B14R1.810 CC(=O)CCCC(=O)CC1CC=CC1 1458a_200000137526_100011215641 [0,1,0,1,0,0|1,0,1]=4 7863 B14R1.810 CC(=O)CCCC(=O)CC1CCCC1 1458a_100000210891_100011215641 [0,1,0,1,0,0|1,0,0]=3 7864 B14R1.810 CC(=O)CCCC(=O)CC1CCOC1 1458a_100011218419_100011215641 [0,1,0,1,0,0|1,0,0]=3 7865 B14R1.810 CC(=O)CCCC(=O)CN1CCCC1 1458a_100000740243_100011215641 [0,1,0,1,0,0|1,0,0]=3 7866 B14R1.810 CC(=O)COCC(=O)NC1CCCC1 34a_100000211253_100000183512 [0,1,0,1,0,0|2,0,0]=4 7867 B14R1.810 CC(=O)NCCC(=O)CC1CCCC1 1458a_100000183196_100000740388 [0,1,0,1,0,0|2,0,0]=4 7868 B14R1.810 CC(=O)NCCC(=O)CC1CCCC1 1458a_100000210891_100000189650 [0,1,0,1,0,0|2,0,0]=4 7869 B14R1.810 CC(=O)NCCC(=O)CC1CCCO1 1458a_100000183196_100000203698 [0,1,0,1,0,0|2,0,0]=4 7870 B14R1.810 CC(=O)NCCC(=O)CC1CCOC1 1458a_100000183196_100000702531 [0,1,0,1,0,0|2,0,0]=4 7871 B14R1.810 CC(=O)NCCC(=O)CC1CCOC1 1458a_100011218419_100000189650 [0,1,0,1,0,0|2,0,0]=4 7872 B14R1.810 CC(=O)NCCC(=O)CN1CCCC1 1458a_100000740243_100000189650 [0,1,0,1,0,0|2,0,0]=4 7873 B14R1.810 CC(=O)NCCC(=O)NC1CCCC1 11a_100000211070_100000183196 [0,1,0,1,0,0|2,0,0]=4 7874 B14R1.810 CC(=O)NCCC(=O)NC1CCCC1 1626a_100000211070_100000183196 [0,1,0,1,0,0|2,0,0]=4 7875 B14R1.810 CC(=O)NCCC(=O)NC1CCCC1 240690a_100000211070_100000183196 [0,1,0,1,0,0|2,0,0]=4 7876 B14R1.810 CC(=O)NCCC(=O)NC1CCCC1 527a_100000211070_100000183196 [0,1,0,1,0,0|2,0,0]=4 7877 B14R1.810 CC(=O)OCCC(=O)CC1CCCC1 1458a_100000210891_100009814007 [0,1,0,1,0,0|2,0,0]=4 7878 B14R1.810 CC(=O)OCCC(=O)CC1CCOC1 1458a_100011218419_100009814007 [0,1,0,1,0,0|2,0,0]=4 7879 B14R1.810 CC(=O)OCCC(=O)CN1CCCC1 1458a_100000740243_100009814007 [0,1,0,1,0,0|2,0,0]=4 7880 B14R1.810 CC(=O)SCCC(=O)CC1CCCC1 1458a_100000048949_100000740388 [0,1,0,1,0,0|2,0,0]=4 7881 B14R1.810 CC(=O)SCCC(=O)CC1CCCO1 1458a_100000048949_100000203698 [0,1,0,1,0,0|2,0,0]=4 7882 B14R1.810 CC(=O)SCCC(=O)CC1CCOC1 1458a_100000048949_100000702531 [0,1,0,1,0,0|2,0,0]=4 7883 B14R1.810 CC(=O)SCCC(=O)NC1CCCC1 1626a_100000211070_100000048949 [0,1,0,1,0,0|2,0,0]=4 7884 B14R1.810 CC(=O)SCCC(=O)NC1CCCC1 240690a_100000211070_100000048949 [0,1,0,1,0,0|2,0,0]=4 7885 B14R1.810 CC(O)CCCC(=O)CC1CCCC1 1458a_100000210891_200000718107 [0,1,0,1,0,0|1,0,1]=4 7886 B14R1.810 CC(O)CCCC(=O)CC1CCOC1 1458a_100011218419_200000718107 [0,1,0,1,0,0|1,0,1]=4 7887 B14R1.810 CC(O)CCCC(=O)CN1CCCC1 1458a_100000740243_200000718107 [0,1,0,1,0,0|1,0,1]=4 7888 B14R1.810 CC(O)CCCC(=O)NC1CCCC1 1626a_100000211070_100000761597 [0,1,0,1,0,0|1,0,1]=4 7889 B14R1.810 CC(O)CCCC(=O)NC1CCCC1 527a_100000211070_100000761597 [0,1,0,1,0,0|1,0,1]=4 7890 B14R1.810 CN(CCCC(=O)O)CC1CCCC1 269956a_100000719178_100000740388 [0,1,0,1,0,0|2,0,0]=4 7891 B14R1.810 CN(CCCC(=O)O)CC1CCCO1 269956a_100000719178_100000183445 [0,1,0,1,0,0|2,0,0]=4 7892 B14R1.810 CN(CCCC(=O)O)CC1CCOC1 269956a_100000719178_100011261433 [0,1,0,1,0,0|2,0,0]=4 7893 B14R1.810 NC(=O)CCCC(=O)C=C1CCCC1 1458a_100000743260_100102525003 [0,1,0,1,0,0|1,0,1]=4 7894 B14R1.810 NC(=O)CCCC(=O)CC1=CCCC1 1458a_100000050221_100102525003 [0,1,0,1,0,0|1,0,1]=4 7895 B14R1.810 NC(=O)CCCC(=O)CC1C=CCC1 1458a_100000212241_100102525003 [0,1,0,1,0,0|1,0,1]=4 7896 B14R1.810 NC(=O)CCCC(=O)CC1CC=CC1 1458a_200000137526_100102525003 [0,1,0,1,0,0|1,0,1]=4 7897 B14R1.810 NC(=O)CCCC(=O)CC1CCCC1 1458a_100000210891_100102525003 [0,1,0,1,0,0|1,0,0]=3 7898 B14R1.810 NC(=O)CCCC(=O)CC1CCOC1 1458a_100011218419_100102525003 [0,1,0,1,0,0|1,0,0]=3 7899 B14R1.810 NC(=O)CCCC(=O)CN1CCCC1 1458a_100000740243_100102525003 [0,1,0,1,0,0|1,0,0]=3 7900 B14R1.810 NC(=O)CCNC(=O)CC1CCCC1 11a_100000740010_100000210891 [0,1,0,1,0,0|2,0,0]=4 7901 B14R1.810 NC(=O)CCNC(=O)CC1CCCC1 240690a_100000740010_100000210891 [0,1,0,1,0,0|2,0,0]=4 7902 B14R1.810 NC(=O)CCNC(=O)CC1CCCC1 527a_100000740010_100000210891 [0,1,0,1,0,0|2,0,0]=4 7903 B14R1.810 NC(=O)CCNC(=O)CC1CCOC1 11a_100000740010_100011218419 [0,1,0,1,0,0|2,0,0]=4 7904 B14R1.810 NC(=O)CCNC(=O)CC1CCOC1 240690a_100000740010_100011218419 [0,1,0,1,0,0|2,0,0]=4 7905 B14R1.810 NC(=O)CCNC(=O)CC1CCOC1 527a_100000740010_100011218419 [0,1,0,1,0,0|2,0,0]=4 7906 B14R1.810 NC(=O)CCNC(=O)CN1CCCC1 240690a_100000740010_100000740243 [0,1,0,1,0,0|2,0,0]=4 7907 B14R1.810 NC(=O)CCNC(=O)CN1CCCC1 527a_100000740010_100000740243 [0,1,0,1,0,0|2,0,0]=4 7908 B14R1.810 NC(=O)CCNC(=O)NC1CCCC1 2708a_100000211070_100000740010 [0,1,0,1,0,0|2,0,0]=4 7909 B14R1.810 NC(=O)CCNC(=O)NC1CCCC1 273464a_100000211070_100000740010 [0,1,0,1,0,0|2,0,0]=4 7910 B14R1.810 NC(=O)CCNC(=O)NC1CCCC1 273464a_100000740010_100000211070 [0,1,0,1,0,0|2,0,0]=4 7911 B14R1.810 NC(=O)CCNC(=O)NC1CCCC1 512a_100000211070_100000740010 [0,1,0,1,0,0|2,0,0]=4 7912 B14R1.810 NC(=O)CNCC(=O)NC1CCCC1 2230a_100000711301_100000183512 [0,1,0,1,0,0|2,0,0]=4 7913 B14R1.810 NC(=O)CNCC(=O)NC1CCCC1 2230a_100000747513_100000747473 [0,1,0,1,0,0|2,0,0]=4 7914 B14R1.810 NC(=O)COCC(=O)CC1CCCC1 1458a_100011219004_100000740388 [0,1,0,1,0,0|2,0,0]=4 7915 B14R1.810 NC(=O)COCC(=O)CC1CCCO1 1458a_100011219004_100000203698 [0,1,0,1,0,0|2,0,0]=4 7916 B14R1.810 NC(=O)COCC(=O)CC1CCOC1 1458a_100011219004_100000702531 [0,1,0,1,0,0|2,0,0]=4 7917 B14R1.810 NC(=O)COCC(=O)NC1CCCC1 1626a_100000211070_100011219004 [0,1,0,1,0,0|2,0,0]=4 7918 B14R1.810 NC(=O)COCC(=O)NC1CCCC1 240690a_100000211070_100011219004 [0,1,0,1,0,0|2,0,0]=4 7919 B14R1.810 NC(=O)COCC(=O)NC1CCCC1 527a_100000211070_100011219004 [0,1,0,1,0,0|2,0,0]=4 7920 B14R1.810 NC(=O)CSCC(=O)NC1CCCC1 11a_100000211070_100000150265 [0,1,0,1,0,0|2,0,0]=4 7921 B14R1.810 NC(=O)CSCC(=O)NC1CCCC1 240690a_100000211070_100000150265 [0,1,0,1,0,0|2,0,0]=4 7922 B14R1.810 NC(=O)CSCC(=O)NC1CCCC1 527a_100000211070_100000150265 [0,1,0,1,0,0|2,0,0]=4 7923 B14R1.810 NC(=O)CSCC(=O)NC1CCCC1 62a_100000183512_100000747473 [0,1,0,1,0,0|2,0,0]=4 7924 B14R1.810 NC(=O)CSCC(=O)NC1CCCC1 62a_100000747473_100000183512 [0,1,0,1,0,0|2,0,0]=4 7925 B14R1.810 NC(=O)NCCC(=O)CC1CCCC1 1458a_100000181464_100000740388 [0,1,0,1,0,0|2,0,0]=4 7926 B14R1.810 NC(=O)NCCC(=O)CC1CCCC1 1458a_100000210891_200000034859 [0,1,0,1,0,0|2,0,0]=4 7927 B14R1.810 NC(=O)NCCC(=O)CC1CCCO1 1458a_100000181464_100000203698 [0,1,0,1,0,0|2,0,0]=4 7928 B14R1.810 NC(=O)NCCC(=O)CC1CCOC1 1458a_100000181464_100000702531 [0,1,0,1,0,0|2,0,0]=4 7929 B14R1.810 NC(=O)NCCC(=O)CC1CCOC1 1458a_100011218419_200000034859 [0,1,0,1,0,0|2,0,0]=4 7930 B14R1.810 NC(=O)NCCC(=O)CN1CCCC1 1458a_100000740243_200000034859 [0,1,0,1,0,0|2,0,0]=4 7931 B14R1.810 NC(=O)NCCC(=O)NC1CCCC1 240690a_100000211070_100000181464 [0,1,0,1,0,0|2,0,0]=4 7932 B14R1.810 NC(=O)NCCC(=O)NC1CCCC1 527a_100000211070_100000181464 [0,1,0,1,0,0|2,0,0]=4 7933 B14R1.810 NC(=O)OCCC(=O)CC1CCCC1 1458a_100000210891_200011214921 [0,1,0,1,0,0|2,0,0]=4 7934 B14R1.810 NC(=O)OCCC(=O)CC1CCOC1 1458a_100011218419_200011214921 [0,1,0,1,0,0|2,0,0]=4 7935 B14R1.810 NC(=O)OCCC(=O)CN1CCCC1 1458a_100000740243_200011214921 [0,1,0,1,0,0|2,0,0]=4 7936 B14R1.810 O=C(CCC[N+](=O)[O-])CC1CCCC1 1458a_100016109205_100000740388 [0,1,0,1,0,0|1,0,1]=4 7937 B14R1.810 O=C(CCC[N+](=O)[O-])CC1CCCO1 1458a_100016109205_100000203698 [0,1,0,1,0,0|1,0,1]=4 7938 B14R1.810 O=C(CCC[N+](=O)[O-])CC1CCOC1 1458a_100016109205_100000702531 [0,1,0,1,0,0|1,0,1]=4 7939 B14R1.810 O=C(CCC[N+](=O)[O-])NC1CCCC1 11a_100000211070_100016109205 [0,1,0,1,0,0|1,0,1]=4 7940 B14R1.810 O=C(CCC[N+](=O)[O-])NC1CCCC1 1626a_100000211070_100016109205 [0,1,0,1,0,0|1,0,1]=4 7941 B14R1.810 O=C(CCC[N+](=O)[O-])NC1CCCC1 240690a_100000211070_100016109205 [0,1,0,1,0,0|1,0,1]=4 7942 B14R1.810 O=C(CCC[N+](=O)[O-])NC1CCCC1 527a_100000211070_100016109205 [0,1,0,1,0,0|1,0,1]=4 7943 B14R1.810 O=C(O)CNCC(=O)NC1CCCC1 269956a_100016091260_100000183512 [0,1,0,1,0,0|1,0,0]=3 7944 B14R1.810 O=C([O-])CSCC(=O)NC1CCCC1 62a_100000183512_100020667443 [0,1,0,1,0,0|1,0,1]=4 7945 B14R1.810 O=C([O-])CSCC(=O)NC1CCCC1 62a_100020667443_100000183512 [0,1,0,1,0,0|1,0,1]=4 7946 B14R1.1258 CCCCCCN1CC(C1)CC(=O)O 269956a_100016993960_100000210757 [0,1,0,1,0,0|2,0,0]=4 7947 B14R1.1258 CCCCOCN1CC(C1)CC(=O)O 269956a_100016993960_100011995733 [0,1,0,1,0,0|2,0,0]=4 7948 B14R1.1258 CCCOCCN1CC(C1)CC(=O)O 269956a_100016993960_100011215938 [0,1,0,1,0,0|2,0,0]=4 7949 B14R1.1258 CCOCCCN1CC(C1)CC(=O)O 269956a_100016993960_100012232248 [0,1,0,1,0,0|2,0,0]=4 7950 B14R1.1258 COCCCCN1CC(C1)CC(=O)O 269956a_100016993960_100000730899 [0,1,0,1,0,0|2,0,0]=4 7951 B14R1.1258 O=C(O)CC1CN(C1)CCCCCF 269956a_100016993960_100000729378 [0,1,0,1,0,0|2,0,0]=4 7952 B14R1.1258 O=C(O)CC1CN(C1)CCCCCO 269956a_100016993960_100000746330 [0,1,0,1,0,0|2,0,0]=4 7953 B14R1.1469 CC(=O)NCCC(=O)NCC1CCC1 11a_100000738700_100000183196 [0,1,0,1,0,0|2,0,0]=4 7954 B14R1.1469 CC(=O)NCCC(=O)NCC1CCC1 1626a_100000738700_100000183196 [0,1,0,1,0,0|2,0,0]=4 7955 B14R1.1469 CC(=O)NCCC(=O)NCC1CCC1 240690a_100000738700_100000183196 [0,1,0,1,0,0|2,0,0]=4 7956 B14R1.1469 CC(=O)NCCC(=O)NCC1CCC1 527a_100000738700_100000183196 [0,1,0,1,0,0|2,0,0]=4 7957 B14R1.1469 CC(=O)SCCC(=O)NCC1CCC1 1626a_100000738700_100000048949 [0,1,0,1,0,0|2,0,0]=4 7958 B14R1.1469 CC(=O)SCCC(=O)NCC1CCC1 240690a_100000738700_100000048949 [0,1,0,1,0,0|2,0,0]=4 7959 B14R1.1469 CC(O)CCCC(=O)NCC1CCC1 1626a_100000738700_100000761597 [0,1,0,1,0,0|1,0,1]=4 7960 B14R1.1469 CC(O)CCCC(=O)NCC1CCC1 527a_100000738700_100000761597 [0,1,0,1,0,0|1,0,1]=4 7961 B14R1.1469 NC(=O)CCNC(=O)NCC1CCC1 2708a_100000738700_100000740010 [0,1,0,1,0,0|2,0,0]=4 7962 B14R1.1469 NC(=O)CCNC(=O)NCC1CCC1 273464a_100000738700_100000740010 [0,1,0,1,0,0|2,0,0]=4 7963 B14R1.1469 NC(=O)CCNC(=O)NCC1CCC1 273464a_100000740010_100000738700 [0,1,0,1,0,0|2,0,0]=4 7964 B14R1.1469 NC(=O)CCNC(=O)NCC1CCC1 512a_100000738700_100000740010 [0,1,0,1,0,0|2,0,0]=4 7965 B14R1.1469 NC(=O)COCC(=O)NCC1CCC1 1626a_100000738700_100011219004 [0,1,0,1,0,0|2,0,0]=4 7966 B14R1.1469 NC(=O)COCC(=O)NCC1CCC1 240690a_100000738700_100011219004 [0,1,0,1,0,0|2,0,0]=4 7967 B14R1.1469 NC(=O)COCC(=O)NCC1CCC1 527a_100000738700_100011219004 [0,1,0,1,0,0|2,0,0]=4 7968 B14R1.1469 NC(=O)CSCC(=O)NCC1CCC1 11a_100000738700_100000150265 [0,1,0,1,0,0|2,0,0]=4 7969 B14R1.1469 NC(=O)CSCC(=O)NCC1CCC1 240690a_100000738700_100000150265 [0,1,0,1,0,0|2,0,0]=4 7970 B14R1.1469 NC(=O)CSCC(=O)NCC1CCC1 527a_100000738700_100000150265 [0,1,0,1,0,0|2,0,0]=4 7971 B14R1.1469 NC(=O)NCCC(=O)NCC1CCC1 240690a_100000738700_100000181464 [0,1,0,1,0,0|2,0,0]=4 7972 B14R1.1469 NC(=O)NCCC(=O)NCC1CCC1 527a_100000738700_100000181464 [0,1,0,1,0,0|2,0,0]=4 7973 B14R1.1469 O=C(CCC[N+](=O)[O-])NCC1CCC1 11a_100000738700_100016109205 [0,1,0,1,0,0|1,0,1]=4 7974 B14R1.1469 O=C(CCC[N+](=O)[O-])NCC1CCC1 1626a_100000738700_100016109205 [0,1,0,1,0,0|1,0,1]=4 7975 B14R1.1469 O=C(CCC[N+](=O)[O-])NCC1CCC1 240690a_100000738700_100016109205 [0,1,0,1,0,0|1,0,1]=4 7976 B14R1.1469 O=C(CCC[N+](=O)[O-])NCC1CCC1 527a_100000738700_100016109205 [0,1,0,1,0,0|1,0,1]=4 7977 B14R1.1470 CC(=O)CCCC(=O)CSCC1CC1 1458a_200011316215_100011215641 [0,1,0,1,0,0|1,0,0]=3 7978 B14R1.1470 CC(=O)NCCC(=O)CCCC1CO1 1458a_100000183196_100000733510 [0,1,0,1,0,0|2,0,0]=4 7979 B14R1.1470 CC(=O)NCCC(=O)CSCC1CC1 1458a_200011316215_100000189650 [0,1,0,1,0,0|2,0,0]=4 7980 B14R1.1470 CC(=O)NCCC(=O)NCCC1CC1 1626a_100000764129_100000183196 [0,1,0,1,0,0|2,0,0]=4 7981 B14R1.1470 CC(=O)NCCC(=O)NCCC1CC1 240690a_100000764129_100000183196 [0,1,0,1,0,0|2,0,0]=4 7982 B14R1.1470 CC(=O)NCCC(=O)NCCC1CC1 527a_100000764129_100000183196 [0,1,0,1,0,0|2,0,0]=4 7983 B14R1.1470 CC(=O)OCCC(=O)CSCC1CC1 1458a_200011316215_100009814007 [0,1,0,1,0,0|2,0,0]=4 7984 B14R1.1470 CC(=O)SCCC(=O)CCCC1CO1 1458a_100000048949_100000733510 [0,1,0,1,0,0|2,0,0]=4 7985 B14R1.1470 CC(=O)SCCC(=O)NCCC1CC1 1626a_100000764129_100000048949 [0,1,0,1,0,0|2,0,0]=4 7986 B14R1.1470 CC(=O)SCCC(=O)NCCC1CC1 240690a_100000764129_100000048949 [0,1,0,1,0,0|2,0,0]=4 7987 B14R1.1470 CC(C)CCCC(=O)CCCC1CO1 1458a_100011216857_100000733510 [0,1,0,1,0,0|1,0,1]=4 7988 B14R1.1470 CC(O)CCCC(=O)CSCC1CC1 1458a_200011316215_200000718107 [0,1,0,1,0,0|1,0,1]=4 7989 B14R1.1470 CC(O)CCCC(=O)NCCC1CC1 1626a_100000764129_100000761597 [0,1,0,1,0,0|1,0,1]=4 7990 B14R1.1470 CC(O)CCCC(=O)NCCC1CC1 527a_100000764129_100000761597 [0,1,0,1,0,0|1,0,1]=4 7991 B14R1.1470 CN(CCCC(=O)O)CCCC1CO1 269956a_100000719178_100000733510 [0,1,0,1,0,0|2,0,0]=4 7992 B14R1.1470 NC(=O)CCCC(=O)CSCC1CC1 1458a_200011316215_100102525003 [0,1,0,1,0,0|1,0,0]=3 7993 B14R1.1470 NC(=O)CCNC(=O)CNCC1CC1 2230a_200138414118_100000742324 [0,1,0,1,0,0|2,0,0]=4 7994 B14R1.1470 NC(=O)CCNC(=O)CSCC1CC1 11a_100000740010_200011316215 [0,1,0,1,0,0|2,0,0]=4 7995 B14R1.1470 NC(=O)CCNC(=O)CSCC1CC1 240690a_100000740010_200011316215 [0,1,0,1,0,0|2,0,0]=4 7996 B14R1.1470 NC(=O)CCNC(=O)CSCC1CC1 527a_100000740010_200011316215 [0,1,0,1,0,0|2,0,0]=4 7997 B14R1.1470 NC(=O)CCNC(=O)NCCC1CC1 2708a_100000764129_100000740010 [0,1,0,1,0,0|2,0,0]=4 7998 B14R1.1470 NC(=O)CCNC(=O)NCCC1CC1 273464a_100000740010_100000764129 [0,1,0,1,0,0|2,0,0]=4 7999 B14R1.1470 NC(=O)CCNC(=O)NCCC1CC1 273464a_100000764129_100000740010 [0,1,0,1,0,0|2,0,0]=4 8000 B14R1.1470 NC(=O)CCNC(=O)NCCC1CC1 512a_100000764129_100000740010 [0,1,0,1,0,0|2,0,0]=4 8001 B14R1.1470 NC(=O)COCC(=O)CCCC1CO1 1458a_100011219004_100000733510 [0,1,0,1,0,0|2,0,0]=4 8002 B14R1.1470 NC(=O)COCC(=O)NCCC1CC1 1626a_100000764129_100011219004 [0,1,0,1,0,0|2,0,0]=4 8003 B14R1.1470 NC(=O)COCC(=O)NCCC1CC1 240690a_100000764129_100011219004 [0,1,0,1,0,0|2,0,0]=4 8004 B14R1.1470 NC(=O)COCC(=O)NCCC1CC1 527a_100000764129_100011219004 [0,1,0,1,0,0|2,0,0]=4 8005 B14R1.1470 NC(=O)CSCC(=O)NCCC1CC1 240690a_100000764129_100000150265 [0,1,0,1,0,0|2,0,0]=4 8006 B14R1.1470 NC(=O)CSCC(=O)NCCC1CC1 527a_100000764129_100000150265 [0,1,0,1,0,0|2,0,0]=4 8007 B14R1.1470 NC(=O)NCCC(=O)CCCC1CO1 1458a_100000181464_100000733510 [0,1,0,1,0,0|2,0,0]=4 8008 B14R1.1470 NC(=O)NCCC(=O)CSCC1CC1 1458a_200011316215_200000034859 [0,1,0,1,0,0|2,0,0]=4 8009 B14R1.1470 NC(=O)NCCC(=O)NCCC1CC1 240690a_100000764129_100000181464 [0,1,0,1,0,0|2,0,0]=4 8010 B14R1.1470 NC(=O)NCCC(=O)NCCC1CC1 527a_100000764129_100000181464 [0,1,0,1,0,0|2,0,0]=4 8011 B14R1.1470 NC(=O)OCCC(=O)CSCC1CC1 1458a_200011316215_200011214921 [0,1,0,1,0,0|2,0,0]=4 8012 B14R1.1470 O=C(CCCC1CO1)CCC[N+](=O)[O-] 1458a_100016109205_100000733510 [0,1,0,1,0,0|1,0,1]=4 8013 B14R1.1470 O=C(CCC[N+](=O)[O-])NCCC1CC1 1626a_100000764129_100016109205 [0,1,0,1,0,0|1,0,1]=4 8014 B14R1.1470 O=C(CCC[N+](=O)[O-])NCCC1CC1 240690a_100000764129_100016109205 [0,1,0,1,0,0|1,0,1]=4 8015 B14R1.1470 O=C(CCC[N+](=O)[O-])NCCC1CC1 527a_100000764129_100016109205 [0,1,0,1,0,0|1,0,1]=4 8016 B14R1.3362 C#CCCCCC(=O)CC1CC(=O)C1 1458a_100000696528_100009874392 [0,1,0,1,0,0|1,0,1]=4 8017 B14R1.3362 C=CCCCCC(=O)CC1CC(=O)C1 1458a_100011215552_100009874392 [0,1,0,1,0,0|1,0,1]=4 8018 B14R1.3362 CCC/C=C/CC(=O)CC1CC(=O)C1 1458a_200016266809_100009874392 [0,1,0,1,0,0|1,0,1]=4 8019 B14R1.3362 CCCCC=CC(=O)CC1CC(=O)C1 1458a_100016266645_100009874392 [0,1,0,1,0,0|1,0,1]=4 8020 B14R1.3362 CCCCCCC(=O)CC1CC(=O)C1 1458a_100102632555_100009874392 [0,1,0,1,0,0|1,0,0]=3 8021 B14R1.3362 CCCCOCC(=O)CC1CC(=O)C1 1458a_100000757543_100009874392 [0,1,0,1,0,0|1,0,0]=3 8022 B14R1.3362 CCCCSCC(=O)CC1CC(=O)C1 1458a_100000191162_100009874392 [0,1,0,1,0,0|1,0,0]=3 8023 B14R1.3362 COCCOCC(=O)CC1CC(=O)C1 1458a_100000211095_100009874392 [0,1,0,1,0,0|2,0,0]=4 8024 B14R1.3362 O=C(CCCCCO)CC1CC(=O)C1 1458a_100102619762_100009874392 [0,1,0,1,0,0|1,0,0]=3 8025 B14R1.3362 O=C(CCOCCO)CC1CC(=O)C1 1458a_100011229844_100009874392 [0,1,0,1,0,0|2,0,0]=4 8026 B14R1.3685 CCCCCCC(=O)CCCC1CO1 1458a_100102632555_100000733510 [0,1,0,1,0,0|1,0,1]=4 8027 B14R1.3685 CCCCOCC(=O)CCCC1CO1 1458a_100000757543_100000733510 [0,1,0,1,0,0|1,0,1]=4 8028 B14R1.3685 CCCCSCC(=O)CCCC1CO1 1458a_100000191162_100000733510 [0,1,0,1,0,0|1,0,1]=4 8029 B14R1.3685 O=C(CCCCCO)CCCC1CO1 1458a_100102619762_100000733510 [0,1,0,1,0,0|1,0,1]=4 8030 B14R1.4488 CC(=O)CCCC(=O)C1CCCC1C 1458a_100000690547_100011215641 [0,1,0,1,0,0|1,0,0]=3 8031 B14R1.4488 CC(=O)CCCC(=O)[C@@H]1CCCN1C 1458a_100009816429_100011215641 [0,1,0,1,0,0|1,0,0]=3 8032 B14R1.4488 CC(=O)NCCC(=O)C1CCCC1C 1458a_100000690547_100000189650 [0,1,0,1,0,0|2,0,0]=4 8033 B14R1.4488 CC(=O)NCCC(=O)N1CCC[C@@H]1C 240690a_100020605311_100000183196 [0,1,0,1,0,0|2,0,0]=4 8034 B14R1.4488 CC(=O)NCCC(=O)N1CCC[C@@H]1C 527a_100020605311_100000183196 [0,1,0,1,0,0|2,0,0]=4 8035 B14R1.4488 CC(=O)NCCC(=O)N1CCC[C@H]1C 11a_100015189458_100000183196 [0,1,0,1,0,0|2,0,0]=4 8036 B14R1.4488 CC(=O)NCCC(=O)N1CCC[C@H]1C 240690a_100015189458_100000183196 [0,1,0,1,0,0|2,0,0]=4 8037 B14R1.4488 CC(=O)NCCC(=O)N1CCC[C@H]1C 527a_100015189458_100000183196 [0,1,0,1,0,0|2,0,0]=4 8038 B14R1.4488 CC(=O)NCCC(=O)[C@@H]1CCCN1C 1458a_100009816429_100000189650 [0,1,0,1,0,0|2,0,0]=4 8039 B14R1.4488 CC(=O)OCCC(=O)C1CCCC1C 1458a_100000690547_100009814007 [0,1,0,1,0,0|2,0,0]=4 8040 B14R1.4488 CC(=O)OCCC(=O)[C@@H]1CCCN1C 1458a_100009816429_100009814007 [0,1,0,1,0,0|2,0,0]=4 8041 B14R1.4488 CC(=O)SCCC(=O)N1CCC[C@@H]1C 240690a_100020605311_100000048949 [0,1,0,1,0,0|2,0,0]=4 8042 B14R1.4488 CC(=O)SCCC(=O)N1CCC[C@H]1C 240690a_100015189458_100000048949 [0,1,0,1,0,0|2,0,0]=4 8043 B14R1.4488 CC(O)CCCC(=O)C1CCCC1C 1458a_100000690547_200000718107 [0,1,0,1,0,0|1,0,1]=4 8044 B14R1.4488 CC(O)CCCC(=O)N1CCC[C@@H]1C 527a_100020605311_100000761597 [0,1,0,1,0,0|1,0,1]=4 8045 B14R1.4488 CC(O)CCCC(=O)N1CCC[C@H]1C 527a_100015189458_100000761597 [0,1,0,1,0,0|1,0,1]=4 8046 B14R1.4488 CC(O)CCCC(=O)[C@@H]1CCCN1C 1458a_100009816429_200000718107 [0,1,0,1,0,0|1,0,1]=4 8047 B14R1.4488 CC1CCCC1C(=O)CCCC(=O)N 1458a_100000690547_100102525003 [0,1,0,1,0,0|1,0,0]=3 8048 B14R1.4488 CC1CCCC1C(=O)CCNC(=O)N 1458a_100000690547_200000034859 [0,1,0,1,0,0|2,0,0]=4 8049 B14R1.4488 CC1CCCC1C(=O)CCOC(=O)N 1458a_100000690547_200011214921 [0,1,0,1,0,0|2,0,0]=4 8050 B14R1.4488 CC1CCCC1C(=O)NCCC(=O)N 11a_100000740010_100000690547 [0,1,0,1,0,0|2,0,0]=4 8051 B14R1.4488 CC1CCCC1C(=O)NCCC(=O)N 240690a_100000740010_100000690547 [0,1,0,1,0,0|2,0,0]=4 8052 B14R1.4488 CC1CCCC1C(=O)NCCC(=O)N 527a_100000740010_100000690547 [0,1,0,1,0,0|2,0,0]=4 8053 B14R1.4488 CN(CCCC(=O)O)[C@@H]1CCC[C@H]1O 269956a_100000719178_200016002552 [0,1,0,1,0,0|2,0,0]=4 8054 B14R1.4488 CN1CCC[C@H]1C(=O)CCCC(=O)N 1458a_100009816429_100102525003 [0,1,0,1,0,0|1,0,0]=3 8055 B14R1.4488 CN1CCC[C@H]1C(=O)CCNC(=O)N 1458a_100009816429_200000034859 [0,1,0,1,0,0|2,0,0]=4 8056 B14R1.4488 CN1CCC[C@H]1C(=O)CCOC(=O)N 1458a_100009816429_200011214921 [0,1,0,1,0,0|2,0,0]=4 8057 B14R1.4488 CN1CCC[C@H]1C(=O)NCCC(=O)N 11a_100000740010_100009816429 [0,1,0,1,0,0|2,0,0]=4 8058 B14R1.4488 CN1CCC[C@H]1C(=O)NCCC(=O)N 240690a_100000740010_100009816429 [0,1,0,1,0,0|2,0,0]=4 8059 B14R1.4488 CN1CCC[C@H]1C(=O)NCCC(=O)N 527a_100000740010_100009816429 [0,1,0,1,0,0|2,0,0]=4 8060 B14R1.4488 C[C@@H]1CCCN1C(=O)CCC[N+](=O)[O-] 11a_100015189458_100016109205 [0,1,0,1,0,0|1,0,1]=4 8061 B14R1.4488 C[C@@H]1CCCN1C(=O)CCC[N+](=O)[O-] 240690a_100015189458_100016109205 [0,1,0,1,0,0|1,0,1]=4 8062 B14R1.4488 C[C@@H]1CCCN1C(=O)CCC[N+](=O)[O-] 527a_100015189458_100016109205 [0,1,0,1,0,0|1,0,1]=4 8063 B14R1.4488 C[C@@H]1CCCN1C(=O)CCNC(=O)N 240690a_100015189458_100000181464 [0,1,0,1,0,0|2,0,0]=4 8064 B14R1.4488 C[C@@H]1CCCN1C(=O)CCNC(=O)N 527a_100015189458_100000181464 [0,1,0,1,0,0|2,0,0]=4 8065 B14R1.4488 C[C@@H]1CCCN1C(=O)COCC(=O)N 240690a_100015189458_100011219004 [0,1,0,1,0,0|2,0,0]=4 8066 B14R1.4488 C[C@@H]1CCCN1C(=O)COCC(=O)N 527a_100015189458_100011219004 [0,1,0,1,0,0|2,0,0]=4 8067 B14R1.4488 C[C@@H]1CCCN1C(=O)CSCC(=O)N 11a_100015189458_100000150265 [0,1,0,1,0,0|2,0,0]=4 8068 B14R1.4488 C[C@@H]1CCCN1C(=O)CSCC(=O)N 240690a_100015189458_100000150265 [0,1,0,1,0,0|2,0,0]=4 8069 B14R1.4488 C[C@@H]1CCCN1C(=O)CSCC(=O)N 527a_100015189458_100000150265 [0,1,0,1,0,0|2,0,0]=4 8070 B14R1.4488 C[C@@H]1CCCN1C(=O)NCCC(=O)N 273464a_100000740010_100015189458 [0,1,0,1,0,0|2,0,0]=4 8071 B14R1.4488 C[C@H]1CCCN1C(=O)CCC[N+](=O)[O-] 240690a_100020605311_100016109205 [0,1,0,1,0,0|1,0,1]=4 8072 B14R1.4488 C[C@H]1CCCN1C(=O)CCC[N+](=O)[O-] 527a_100020605311_100016109205 [0,1,0,1,0,0|1,0,1]=4 8073 B14R1.4488 C[C@H]1CCCN1C(=O)CCNC(=O)N 240690a_100020605311_100000181464 [0,1,0,1,0,0|2,0,0]=4 8074 B14R1.4488 C[C@H]1CCCN1C(=O)CCNC(=O)N 527a_100020605311_100000181464 [0,1,0,1,0,0|2,0,0]=4 8075 B14R1.4488 C[C@H]1CCCN1C(=O)COCC(=O)N 240690a_100020605311_100011219004 [0,1,0,1,0,0|2,0,0]=4 8076 B14R1.4488 C[C@H]1CCCN1C(=O)COCC(=O)N 527a_100020605311_100011219004 [0,1,0,1,0,0|2,0,0]=4 8077 B14R1.4488 C[C@H]1CCCN1C(=O)CSCC(=O)N 240690a_100020605311_100000150265 [0,1,0,1,0,0|2,0,0]=4 8078 B14R1.4488 C[C@H]1CCCN1C(=O)CSCC(=O)N 527a_100020605311_100000150265 [0,1,0,1,0,0|2,0,0]=4 8079 B14R1.4488 C[C@H]1CCCN1C(=O)NCCC(=O)N 273464a_100000740010_100020605311 [0,1,0,1,0,0|2,0,0]=4 8080 B14R1.19 C=C1CCC(CC1)C(=O)CCCCC 1458a_200000138047_100000210326 [0,1,0,1,0,0|2,0,0]=4 8081 B14R1.19 CCCCCC(=O)C1=NNC(=O)CC1 1458a_100000183032_100000210326 [0,1,0,1,0,0|1,0,1]=4 8082 B14R1.19 CCCCCC(=O)C1CC=C(CC1)C 1458a_100000137427_100000210326 [0,1,0,1,0,0|2,0,0]=4 8083 B14R1.19 CCCCCC(=O)C1CCC(=O)NC1 1458a_100000740907_100000210326 [0,1,0,1,0,0|1,0,0]=3 8084 B14R1.19 CCCCCC(=O)C1CCC(CC1)O 1458a_100000743365_100000210326 [0,1,0,1,0,0|1,0,1]=4 8085 B14R1.19 CCCCNC(=O)C1CCC(=O)NC1 11a_100000102301_100000740907 [0,1,0,1,0,0|2,0,0]=4 8086 B14R1.19 CCCCNC(=O)C1CCC(=O)NC1 1626a_100000102301_100000740907 [0,1,0,1,0,0|2,0,0]=4 8087 B14R1.19 CCCCNC(=O)C1CCC(=O)NC1 240690a_100000102301_100000740907 [0,1,0,1,0,0|2,0,0]=4 8088 B14R1.19 CCCCNC(=O)C1CCC(=O)NC1 527a_100000102301_100000740907 [0,1,0,1,0,0|2,0,0]=4 8089 B14R1.19 CCOCCC(=O)C1CCC(=O)NC1 1458a_100000740907_100011215890 [0,1,0,1,0,0|2,0,0]=4 8090 B14R1.19 CCSCCC(=O)C1CCC(=O)NC1 1458a_100000740907_100000757381 [0,1,0,1,0,0|2,0,0]=4 8091 B14R1.19 COCCCC(=O)C1CCC(=O)NC1 1458a_100000740907_100000740836 [0,1,0,1,0,0|2,0,0]=4 8092 B14R1.19 O=C1CCC(CN1)C(=O)CCCCF 1458a_100000740907_100000729493 [0,1,0,1,0,0|2,0,0]=4 8093 B14R1.19 O=C1CCC(CN1)C(=O)CCCCO 1458a_100000740907_100000210776 [0,1,0,1,0,0|2,0,0]=4 8094 B14R1.808 CC(=O)SC[C@@H](C)C(=O)C1CCCC1 1458a_200015407212_100000179811 [0,1,0,1,0,0|2,0,0]=4 8095 B14R1.808 CC(NCC(=O)O)C(=O)N1CCCC1 269956a_100016091260_100000183899 [0,1,0,1,0,0|2,0,0]=4 8096 B14R1.808 CN(CCC(=O)N)C(=O)C1CCCC1 11a_100000730477_100000210718 [0,1,0,1,0,0|2,0,0]=4 8097 B14R1.808 CN(CCC(=O)N)C(=O)C1CCCC1 240690a_100000730477_100000210718 [0,1,0,1,0,0|2,0,0]=4 8098 B14R1.808 CN(CCC(=O)N)C(=O)C1CCCC1 527a_100000730477_100000210718 [0,1,0,1,0,0|2,0,0]=4 8099 B14R1.1464 CC(=O)SC[C@@H](C)C(=O)CC1CCC1 1458a_200015407212_100000763275 [0,1,0,1,0,0|2,0,0]=4 8100 B14R1.1464 CN(CCC(=O)N)C(=O)CC1CCC1 11a_100000730477_100000763092 [0,1,0,1,0,0|2,0,0]=4 8101 B14R1.1464 CN(CCC(=O)N)C(=O)CC1CCC1 240690a_100000730477_100000763092 [0,1,0,1,0,0|2,0,0]=4 8102 B14R1.1464 CN(CCC(=O)N)C(=O)CC1CCC1 527a_100000730477_100000763092 [0,1,0,1,0,0|2,0,0]=4 8103 B14R1.1465 CC(=O)SC[C@@H](C)C(=O)CCC1CC1 1458a_200015407212_100000694398 [0,1,0,1,0,0|2,0,0]=4 8104 B14R1.1465 CN(CCC(=O)N)C(=O)CCC1CC1 11a_100000730477_100000756386 [0,1,0,1,0,0|2,0,0]=4 8105 B14R1.1465 CN(CCC(=O)N)C(=O)CCC1CC1 240690a_100000730477_100000756386 [0,1,0,1,0,0|2,0,0]=4 8106 B14R1.1465 CN(CCC(=O)N)C(=O)CCC1CC1 527a_100000730477_100000756386 [0,1,0,1,0,0|2,0,0]=4 8107 B14R1.2045 CCC1CC1C(=O)N(C)CCC(=O)N 11a_100000730477_200011661523 [0,1,0,1,0,0|2,0,0]=4 8108 B14R1.2045 CCC1CC1C(=O)N(C)CCC(=O)N 240690a_100000730477_200011661523 [0,1,0,1,0,0|2,0,0]=4 8109 B14R1.2045 CCC1CC1C(=O)N(C)CCC(=O)N 527a_100000730477_200011661523 [0,1,0,1,0,0|2,0,0]=4 8110 B14R1.3003 CCCCCC(=O)C1CN(C1)C(=O)C 1458a_100000754717_100000210326 [0,1,0,1,0,0|2,0,0]=4 8111 B14R1.3003 CCCCCC(=O)N1CC(C1)C(=O)N 240690a_100025753142_100000212188 [0,1,0,1,0,0|2,0,0]=4 8112 B14R1.3003 CCCCCC(=O)N1CC(C1)C(=O)N 527a_100025753142_100000212188 [0,1,0,1,0,0|2,0,0]=4 8113 B14R1.3023 CCCCCC(=O)C1CCS(=O)(=O)C1 1458a_100000209820_100000210326 [0,1,0,1,0,0|1,0,1]=4 8114 B14R1.462 CCCCCN1CCC(CC1)C(=O)O 269956a_100000210459_100000210326 [0,1,0,1,0,0|2,0,0]=4 8115 B14R1.709 CCC(=O)CCN1CCCCCC1=O 1458a_200011207554_100000210202 [0,1,0,1,0,0|2,0,0]=4 8116 B14R1.709 CCC(=O)CSC1CCCCCC1=O 62a_100000243696_100000747405 [0,1,0,1,0,0|2,0,0]=4 8117 B14R1.709 CCC(=O)CSC1CCCCCC1=O 62a_100000747405_100000243696 [0,1,0,1,0,0|2,0,0]=4 8118 B14R1.709 CNC(=O)CCN1CCCCCC1=O 11a_106832991635_200011207554 [0,1,0,1,0,0|2,0,0]=4 8119 B14R1.709 CNC(=O)CCN1CCCCCC1=O 1626a_100102657272_200011207554 [0,1,0,1,0,0|2,0,0]=4 8120 B14R1.709 CNC(=O)CCN1CCCCCC1=O 240690a_100102657272_200011207554 [0,1,0,1,0,0|2,0,0]=4 8121 B14R1.709 CNC(=O)CCN1CCCCCC1=O 527a_100102657272_200011207554 [0,1,0,1,0,0|2,0,0]=4 8122 B14R1.709 CNC(=O)CSC1CCCCCC1=O 62a_100000183359_100000243696 [0,1,0,1,0,0|2,0,0]=4 8123 B14R1.709 CNC(=O)CSC1CCCCCC1=O 62a_100000243696_100000183359 [0,1,0,1,0,0|2,0,0]=4 8124 B14R1.709 COC(=O)CNC1CCCCNC1=O 2230a_100000698827_100000747449 [0,1,0,1,0,0|2,0,0]=4 8125 B14R1.709 COC(=O)CNC1CCCCNC1=O 34a_100000698827_100000747449 [0,1,0,1,0,0|2,0,0]=4 8126 B14R1.709 COC(=O)CSC1CCCCCC1=O 62a_100000243696_100000747449 [0,1,0,1,0,0|1,0,0]=3 8127 B14R1.709 COC(=O)CSC1CCCCCC1=O 62a_100000747449_100000243696 [0,1,0,1,0,0|1,0,0]=3 8128 B14R1.709 COC(=O)CSC1CCCCNC1=O 62a_100000735217_100000747449 [0,1,0,1,0,0|2,0,0]=4 8129 B14R1.709 COC(=O)CSC1CCCCNC1=O 62a_100000747449_100000735217 [0,1,0,1,0,0|2,0,0]=4 8130 B14R1.709 O=C(CF)CCN1CCCCCC1=O 1458a_200011207554_100015361967 [0,1,0,1,0,0|2,0,0]=4 8131 B14R1.729 C=CC(=O)OCCC(=O)C1CCCC1 1458a_100000065099_100000179811 [0,1,0,1,0,0|2,0,0]=4 8132 B14R1.729 C=CC(=O)OCCC(=O)C1CCCC1 1458a_100000210718_100009813456 [0,1,0,1,0,0|2,0,0]=4 8133 B14R1.729 CCC(=O)CCCC(=O)N1CCCC1 1458a_100000199733_100000210202 [0,1,0,1,0,0|2,0,0]=4 8134 B14R1.729 CN(CCCC(=O)C1CCCC1)N=O 1458a_200000076914_100000179811 [0,1,0,1,0,0|2,0,0]=4 8135 B14R1.729 CNC(=O)CCCC(=O)C1CCCC1 1458a_100000210718_100000741757 [0,1,0,1,0,0|1,0,0]=3 8136 B14R1.729 CNC(=O)CCCC(=O)C1CCCS1 1458a_100012002731_100000741757 [0,1,0,1,0,0|2,0,0]=4 8137 B14R1.729 CNC(=O)CCCC(=O)C1CCOC1 1458a_100011219752_100000741757 [0,1,0,1,0,0|2,0,0]=4 8138 B14R1.729 CNC(=O)CCCC(=O)N1CCCC1 11a_106832991635_100000199733 [0,1,0,1,0,0|2,0,0]=4 8139 B14R1.729 CNC(=O)CCCC(=O)N1CCCC1 1626a_100102657272_100000199733 [0,1,0,1,0,0|2,0,0]=4 8140 B14R1.729 CNC(=O)CCCC(=O)N1CCCC1 240690a_100102657272_100000199733 [0,1,0,1,0,0|2,0,0]=4 8141 B14R1.729 CNC(=O)CCCC(=O)N1CCCC1 527a_100102657272_100000199733 [0,1,0,1,0,0|2,0,0]=4 8142 B14R1.729 CNC(=O)CCCC(=O)[C@@H]1CCCO1 1458a_100000686382_100000741757 [0,1,0,1,0,0|2,0,0]=4 8143 B14R1.729 CNC(=O)CCNC(=O)C1CCCC1 11a_100000738227_100000210718 [0,1,0,1,0,0|2,0,0]=4 8144 B14R1.729 CNC(=O)CCNC(=O)C1CCCC1 240690a_100000738227_100000210718 [0,1,0,1,0,0|2,0,0]=4 8145 B14R1.729 CNC(=O)CCNC(=O)C1CCCC1 527a_100000738227_100000210718 [0,1,0,1,0,0|2,0,0]=4 8146 B14R1.729 CNC(=O)OCCC(=O)C1CCCC1 1458a_100000210718_200011997002 [0,1,0,1,0,0|2,0,0]=4 8147 B14R1.729 COC(=O)CCCC(=O)C1=CCCC1 1458a_100000038896_100011218270 [0,1,0,1,0,0|0,0,2]=4 8148 B14R1.729 COC(=O)CCCC(=O)C1CC=CC1 1458a_100000759439_100011218270 [0,1,0,1,0,0|0,0,2]=4 8149 B14R1.729 COC(=O)CCCC(=O)C1CCCC1 1458a_100000210718_100011218270 [0,1,0,1,0,0|0,0,0]=2 8150 B14R1.729 COC(=O)CCCC(=O)C1CCCC1 1458a_100000239890_100000179811 [0,1,0,1,0,0|0,0,0]=2 8151 B14R1.729 COC(=O)CCCC(=O)C1CCCS1 1458a_100012002731_100011218270 [0,1,0,1,0,0|1,0,0]=3 8152 B14R1.729 COC(=O)CCCC(=O)C1CCOC1 1458a_100000239890_100000690089 [0,1,0,1,0,0|1,0,0]=3 8153 B14R1.729 COC(=O)CCCC(=O)C1CCOC1 1458a_100011219752_100011218270 [0,1,0,1,0,0|1,0,0]=3 8154 B14R1.729 COC(=O)CCCC(=O)N1CCCC1 240690a_100000188435_100000239890 [0,1,0,1,0,0|1,0,0]=3 8155 B14R1.729 COC(=O)CCCC(=O)N1CCCC1 527a_100000188435_100000239890 [0,1,0,1,0,0|1,0,0]=3 8156 B14R1.729 COC(=O)CCCC(=O)N1CCSC1 11a_100011215254_100000239890 [0,1,0,1,0,0|2,0,0]=4 8157 B14R1.729 COC(=O)CCCC(=O)N1CCSC1 240690a_100011215254_100000239890 [0,1,0,1,0,0|2,0,0]=4 8158 B14R1.729 COC(=O)CCCC(=O)N1CCSC1 527a_100011215254_100000239890 [0,1,0,1,0,0|2,0,0]=4 8159 B14R1.729 COC(=O)CCCC(=O)[C@@H]1CCCO1 1458a_100000686382_100011218270 [0,1,0,1,0,0|1,0,0]=3 8160 B14R1.729 COC(=O)CCCN(C)C1CCCC1 2230a_100000207505_100011218270 [0,1,0,1,0,0|2,0,0]=4 8161 B14R1.729 COC(=O)CCCN(C)C1CCCC1 269982a_100000207505_100011218270 [0,1,0,1,0,0|2,0,0]=4 8162 B14R1.729 COC(=O)CCCN(C)C1CCCC1 269982a_100000739225_100000179811 [0,1,0,1,0,0|2,0,0]=4 8163 B14R1.729 COC(=O)CCCN(C)C1CCCC1 34a_100000207505_100000742333 [0,1,0,1,0,0|2,0,0]=4 8164 B14R1.729 COC(=O)CCNC(=O)C1CCCC1 188690a_100000683876_100000210718 [0,1,0,1,0,0|1,0,0]=3 8165 B14R1.729 COC(=O)CCNC(=O)C1CCCS1 188690a_100000683876_100012002731 [0,1,0,1,0,0|2,0,0]=4 8166 B14R1.729 COC(=O)CCNC(=O)C1CCOC1 188690a_100000683876_100011219752 [0,1,0,1,0,0|2,0,0]=4 8167 B14R1.729 COC(=O)CCNC(=O)[C@@H]1CCCO1 188690a_100000683876_100000686382 [0,1,0,1,0,0|2,0,0]=4 8168 B14R1.729 COC(=O)CNCC(=O)N1CCCC1 2230a_100000751844_100000747449 [0,1,0,1,0,0|2,0,0]=4 8169 B14R1.729 COC(=O)COCC(=O)N1CCCC1 7a_200000752455_100000747449 [0,1,0,1,0,0|2,0,0]=4 8170 B14R1.729 COC(=O)CSCC(=O)C1CCCC1 1458a_100000191316_100000179811 [0,1,0,1,0,0|1,0,0]=3 8171 B14R1.729 COC(=O)CSCC(=O)C1CCOC1 1458a_100000191316_100000690089 [0,1,0,1,0,0|2,0,0]=4 8172 B14R1.729 COC(=O)CSCC(=O)N1CCCC1 240690a_100000188435_100000191316 [0,1,0,1,0,0|2,0,0]=4 8173 B14R1.729 COC(=O)CSCC(=O)N1CCCC1 62a_100000183516_100000747449 [0,1,0,1,0,0|2,0,0]=4 8174 B14R1.729 COC(=O)CSCC(=O)N1CCCC1 62a_100000747449_100000183516 [0,1,0,1,0,0|2,0,0]=4 8175 B14R1.729 O=C(CF)CCCC(=O)N1CCCC1 1458a_100000199733_100015361967 [0,1,0,1,0,0|2,0,0]=4 8176 B14R1.729 O=C(CO)NCCC(=O)N1CCCC1 240690a_100015186530_100000210174 [0,1,0,1,0,0|2,0,0]=4 8177 B14R1.729 O=C(CO)NCCC(=O)N1CCCC1 527a_100015186530_100000210174 [0,1,0,1,0,0|2,0,0]=4 8178 B14R1.888 CCCCCN1CC[C@H](C1)C(=O)OC 2230a_100016989057_100000210326 [0,1,0,1,0,0|2,0,0]=4 8179 B14R1.888 CCCCCN1CC[C@H](C1)C(=O)OC 269982a_100016989057_100000210215 [0,1,0,1,0,0|2,0,0]=4 8180 B14R1.1025 COC(=O)CCCN1CCC[C@@H](C1)C 2230a_100000717927_100011218270 [0,1,0,1,0,0|2,0,0]=4 8181 B14R1.1025 COC(=O)CCCN1CCC[C@@H](C1)C 269982a_100000717927_100011218270 [0,1,0,1,0,0|2,0,0]=4 8182 B14R1.1025 COC(=O)CCCN1CCC[C@@H](C1)C 34a_100000717927_100000742333 [0,1,0,1,0,0|2,0,0]=4 8183 B14R1.1038 CCCCCC(=O)CCC1CCC1=O 1458a_100000212188_200016118888 [0,1,0,1,0,0|1,0,0]=3 8184 B14R1.1038 CCCCCC(=O)CSC1CCC1=O 62a_100009892977_200012276598 [0,1,0,1,0,0|2,0,0]=4 8185 B14R1.1038 CCCCCC(=O)CSC1CCC1=O 62a_200012276598_100009892977 [0,1,0,1,0,0|2,0,0]=4 8186 B14R1.1038 CCCOCC(=O)CCC1CCC1=O 1458a_100000745993_200016118888 [0,1,0,1,0,0|2,0,0]=4 8187 B14R1.1038 CCCSCC(=O)CCC1CCC1=O 1458a_100000217233_200016118888 [0,1,0,1,0,0|2,0,0]=4 8188 B14R1.1038 CCOCCC(=O)CCC1CCC1=O 1458a_100000749530_200016118888 [0,1,0,1,0,0|2,0,0]=4 8189 B14R1.1038 CCSCCC(=O)CCC1CCC1=O 1458a_100000230768_200016118888 [0,1,0,1,0,0|2,0,0]=4 8190 B14R1.1038 COCCCC(=O)CCC1CCC1=O 1458a_100000741012_200016118888 [0,1,0,1,0,0|2,0,0]=4 8191 B14R1.1038 CSCCCC(=O)CCC1CCC1=O 1458a_100000173376_200016118888 [0,1,0,1,0,0|2,0,0]=4 8192 B14R1.1038 O=C(CCCCO)CCC1CCC1=O 1458a_100000695505_200016118888 [0,1,0,1,0,0|2,0,0]=4 8193 B14R1.1586 COC(=O)CCCN1CCCCCC1 2230a_100000185865_100011218270 [0,1,0,1,0,0|2,0,0]=4 8194 B14R1.1586 COC(=O)CCCN1CCCCCC1 269982a_100000185865_100011218270 [0,1,0,1,0,0|2,0,0]=4 8195 B14R1.1586 COC(=O)CCCN1CCCCCC1 34a_100000185865_100000742333 [0,1,0,1,0,0|2,0,0]=4 8196 B14R1.2044 C=CC(=O)OCCC(=O)C1CC1CC 1458a_200011661523_100009813456 [0,1,0,1,0,0|2,0,0]=4 8197 B14R1.2044 CCC1CC1C(=O)CCCC(=O)NC 1458a_200011661523_100000741757 [0,1,0,1,0,0|1,0,0]=3 8198 B14R1.2044 CCC1CC1C(=O)CCCC(=O)OC 1458a_200011661523_100011218270 [0,1,0,1,0,0|0,0,0]=2 8199 B14R1.2044 CCC1CC1C(=O)CCOC(=O)NC 1458a_200011661523_200011997002 [0,1,0,1,0,0|2,0,0]=4 8200 B14R1.2044 CCC1CC1C(=O)NCCC(=O)NC 11a_100000738227_200011661523 [0,1,0,1,0,0|2,0,0]=4 8201 B14R1.2044 CCC1CC1C(=O)NCCC(=O)NC 240690a_100000738227_200011661523 [0,1,0,1,0,0|2,0,0]=4 8202 B14R1.2044 CCC1CC1C(=O)NCCC(=O)NC 527a_100000738227_200011661523 [0,1,0,1,0,0|2,0,0]=4 8203 B14R1.2044 CCC1CC1C(=O)NCCC(=O)OC 188690a_100000683876_200011661523 [0,1,0,1,0,0|1,0,0]=3 8204 B14R1.2044 COC(=O)CCCC(=O)[C@@H]1C[C@H]1C#N 1458a_100015294237_100011218270 [0,1,0,1,0,0|1,0,1]=4 8205 B14R1.2999 C#CCCCC(=O)C1CC1C(=O)OC 1458a_100000750770_100000731252 [0,1,0,1,0,0|0,0,2]=4 8206 B14R1.2999 C=CCCCC(=O)C1CC1C(=O)OC 1458a_100000750770_100000757094 [0,1,0,1,0,0|0,0,2]=4 8207 B14R1.2999 CC/C=C\CC(=O)C1CC1C(=O)OC 1458a_100000750770_100103147603 [0,1,0,1,0,0|0,0,2]=4 8208 B14R1.2999 CCC#CCC(=O)C1CC1C(=O)OC 1458a_100000750770_100009813939 [0,1,0,1,0,0|0,0,2]=4 8209 B14R1.2999 CCCCCC(=O)C1CC1C(=O)OC 1458a_100000750770_100000210326 [0,1,0,1,0,0|0,0,0]=2 8210 B14R1.2999 CCCCCC(=O)N1CC1C(=O)OC 240690a_200009830135_100000212188 [0,1,0,1,0,0|1,0,0]=3 8211 B14R1.2999 CCCCNC(=O)C1CC1C(=O)OC 11a_100000102301_100000750770 [0,1,0,1,0,0|1,0,0]=3 8212 B14R1.2999 CCCCNC(=O)C1CC1C(=O)OC 240690a_100000102301_100000750770 [0,1,0,1,0,0|1,0,0]=3 8213 B14R1.2999 CCCOCC(=O)N1CC1C(=O)OC 240690a_200009830135_100000745993 [0,1,0,1,0,0|2,0,0]=4 8214 B14R1.2999 CCCSCC(=O)N1CC1C(=O)OC 240690a_200009830135_100000217233 [0,1,0,1,0,0|2,0,0]=4 8215 B14R1.2999 CCOCCC(=O)C1CC1C(=O)OC 1458a_100000750770_100011215890 [0,1,0,1,0,0|1,0,0]=3 8216 B14R1.2999 CCOCCC(=O)N1CC1C(=O)OC 240690a_200009830135_100000749530 [0,1,0,1,0,0|2,0,0]=4 8217 B14R1.2999 CCSCCC(=O)C1CC1C(=O)OC 1458a_100000750770_100000757381 [0,1,0,1,0,0|1,0,0]=3 8218 B14R1.2999 CCSCCC(=O)N1CC1C(=O)OC 240690a_200009830135_100000230768 [0,1,0,1,0,0|2,0,0]=4 8219 B14R1.2999 COC(=O)C1CC1C(=O)CCCC#N 1458a_100000750770_100000211468 [0,1,0,1,0,0|1,0,1]=4 8220 B14R1.2999 COC(=O)C1CC1C(=O)CCCCF 1458a_100000750770_100000729493 [0,1,0,1,0,0|1,0,0]=3 8221 B14R1.2999 COC(=O)C1CC1C(=O)CCCCO 1458a_100000750770_100000210776 [0,1,0,1,0,0|1,0,0]=3 8222 B14R1.2999 COC(=O)C1CC1C(=O)NCCCF 11a_100015189416_100000750770 [0,1,0,1,0,0|2,0,0]=4 8223 B14R1.2999 COC(=O)C1CC1C(=O)NCCCF 240690a_100015189416_100000750770 [0,1,0,1,0,0|2,0,0]=4 8224 B14R1.2999 COC(=O)C1CC1C(=O)NCCCO 240690a_100000182051_100000750770 [0,1,0,1,0,0|2,0,0]=4 8225 B14R1.2999 COC(=O)C1CC1C(=O)NCCSC 11a_100020590264_100000750770 [0,1,0,1,0,0|2,0,0]=4 8226 B14R1.2999 COC(=O)C1CC1C(=O)NCCSC 240690a_100020590264_100000750770 [0,1,0,1,0,0|2,0,0]=4 8227 B14R1.2999 COC(=O)C1CN1C(=O)CCCSC 240690a_200009830135_100000173376 [0,1,0,1,0,0|2,0,0]=4 8228 B14R1.2999 COCCCC(=O)C1CC1C(=O)OC 1458a_100000750770_100000740836 [0,1,0,1,0,0|1,0,0]=3 8229 B14R1.2999 COCCCC(=O)N1CC1C(=O)OC 240690a_200009830135_100000741012 [0,1,0,1,0,0|2,0,0]=4 8230 B14R1.2999 COCCNC(=O)C1CC1C(=O)OC 240690a_100000209980_100000750770 [0,1,0,1,0,0|2,0,0]=4 8231 B14R1.3022 CCCCCC(=O)C1CCN(C1=O)C 1458a_100000137746_100000210326 [0,1,0,1,0,0|2,0,0]=4 8232 B14R1.3022 CCCCCC(=O)C1CCN(C1=O)C 1458a_100000212188_100000755940 [0,1,0,1,0,0|2,0,0]=4 8233 B14R1.3022 CCCCCC(=O)[C@H]1CCC(=O)N1C 1458a_100010979499_100000210326 [0,1,0,1,0,0|1,0,0]=3 8234 B14R1.3022 CCCCNC(=O)[C@H]1CCC(=O)N1C 11a_100000102301_100010979499 [0,1,0,1,0,0|2,0,0]=4 8235 B14R1.3022 CCCCNC(=O)[C@H]1CCC(=O)N1C 1626a_100000102301_100010979499 [0,1,0,1,0,0|2,0,0]=4 8236 B14R1.3022 CCCCNC(=O)[C@H]1CCC(=O)N1C 240690a_100000102301_100010979499 [0,1,0,1,0,0|2,0,0]=4 8237 B14R1.3022 CCCCNC(=O)[C@H]1CCC(=O)N1C 527a_100000102301_100010979499 [0,1,0,1,0,0|2,0,0]=4 8238 B14R1.3022 CCOCCC(=O)[C@H]1CCC(=O)N1C 1458a_100010979499_100011215890 [0,1,0,1,0,0|2,0,0]=4 8239 B14R1.3022 CCSCCC(=O)[C@H]1CCC(=O)N1C 1458a_100010979499_100000757381 [0,1,0,1,0,0|2,0,0]=4 8240 B14R1.3022 CN1C(=O)CC[C@@H]1C(=O)CCCCF 1458a_100010979499_100000729493 [0,1,0,1,0,0|2,0,0]=4 8241 B14R1.3022 CN1C(=O)CC[C@@H]1C(=O)CCCCO 1458a_100010979499_100000210776 [0,1,0,1,0,0|2,0,0]=4 8242 B14R1.3022 COCCCC(=O)[C@H]1CCC(=O)N1C 1458a_100010979499_100000740836 [0,1,0,1,0,0|2,0,0]=4 8243 B14R1.3262 CCCCCN1CC(C1)CC(=O)OC 269982a_100016993681_100000210215 [0,1,0,1,0,0|2,0,0]=4 8244 B14R1.5122 CCCN1CC(=O)NC[C@H]1C(=O)OC 2230a_200015373194_100000210303 [0,1,0,1,0,0|2,0,0]=4 8245 B14R1.7736 COC(=O)CCCC(=O)N[C@@H]1C[C@@H]1F 240690a_100015190264_100000239890 [0,1,0,1,0,0|2,0,0]=4 8246 B14R1.7736 COC(=O)CCCC(=O)N[C@@H]1C[C@@H]1F 527a_100015190264_100000239890 [0,1,0,1,0,0|2,0,0]=4 8247 B14R1.7736 COC(=O)CCCC(=O)N[C@@H]1C[C@H]1F 11a_100025746932_100000239890 [0,1,0,1,0,0|2,0,0]=4 8248 B14R1.7736 COC(=O)CCCC(=O)N[C@@H]1C[C@H]1F 1626a_100025746932_100000239890 [0,1,0,1,0,0|2,0,0]=4 8249 B14R1.7736 COC(=O)CCCC(=O)N[C@@H]1C[C@H]1F 240690a_100025746932_100000239890 [0,1,0,1,0,0|2,0,0]=4 8250 B14R1.7736 COC(=O)CCCC(=O)N[C@@H]1C[C@H]1F 527a_100025746932_100000239890 [0,1,0,1,0,0|2,0,0]=4 8251 B14R1.7737 C=CC(=O)OCCC(=O)CC1CCC1 1458a_100000065099_100000763275 [0,1,0,1,0,0|2,0,0]=4 8252 B14R1.7737 C=CC(=O)OCCC(=O)CC1CCC1 1458a_100000763092_100009813456 [0,1,0,1,0,0|2,0,0]=4 8253 B14R1.7737 CN(CCCC(=O)CC1CCC1)N=O 1458a_200000076914_100000763275 [0,1,0,1,0,0|2,0,0]=4 8254 B14R1.7737 CNC(=O)CCCC(=O)CC1CCC1 1458a_100000763092_100000741757 [0,1,0,1,0,0|1,0,0]=3 8255 B14R1.7737 CNC(=O)CCCC(=O)CC1COC1 1458a_100000687760_100000741757 [0,1,0,1,0,0|2,0,0]=4 8256 B14R1.7737 CNC(=O)CCNC(=O)CC1CCC1 11a_100000738227_100000763092 [0,1,0,1,0,0|2,0,0]=4 8257 B14R1.7737 CNC(=O)CCNC(=O)CC1CCC1 240690a_100000738227_100000763092 [0,1,0,1,0,0|2,0,0]=4 8258 B14R1.7737 CNC(=O)CCNC(=O)CC1CCC1 527a_100000738227_100000763092 [0,1,0,1,0,0|2,0,0]=4 8259 B14R1.7737 CNC(=O)OCCC(=O)CC1CCC1 1458a_100000763092_200011997002 [0,1,0,1,0,0|2,0,0]=4 8260 B14R1.7737 COC(=O)CCCC(=O)C=C1CCC1 1458a_100000686340_100011218270 [0,1,0,1,0,0|0,0,2]=4 8261 B14R1.7737 COC(=O)CCCC(=O)CC1CCC1 1458a_100000239890_100000763275 [0,1,0,1,0,0|0,0,0]=2 8262 B14R1.7737 COC(=O)CCCC(=O)CC1CCC1 1458a_100000763092_100011218270 [0,1,0,1,0,0|0,0,0]=2 8263 B14R1.7737 COC(=O)CCCC(=O)CC1CCO1 1458a_100000239890_100000103362 [0,1,0,1,0,0|1,0,0]=3 8264 B14R1.7737 COC(=O)CCCC(=O)CC1COC1 1458a_100000239890_100010264016 [0,1,0,1,0,0|1,0,0]=3 8265 B14R1.7737 COC(=O)CCCC(=O)CC1COC1 1458a_100000687760_100011218270 [0,1,0,1,0,0|1,0,0]=3 8266 B14R1.7737 COC(=O)CCCC(=O)NC1CCC1 11a_100000749019_100000239890 [0,1,0,1,0,0|1,0,0]=3 8267 B14R1.7737 COC(=O)CCCC(=O)NC1CCC1 1626a_100000749019_100000239890 [0,1,0,1,0,0|1,0,0]=3 8268 B14R1.7737 COC(=O)CCCC(=O)NC1CCC1 240690a_100000749019_100000239890 [0,1,0,1,0,0|1,0,0]=3 8269 B14R1.7737 COC(=O)CCCC(=O)NC1CCC1 527a_100000749019_100000239890 [0,1,0,1,0,0|1,0,0]=3 8270 B14R1.7737 COC(=O)CCCC(=O)NC1COC1 11a_100016991112_100000239890 [0,1,0,1,0,0|2,0,0]=4 8271 B14R1.7737 COC(=O)CCCC(=O)NC1COC1 1626a_100016991112_100000239890 [0,1,0,1,0,0|2,0,0]=4 8272 B14R1.7737 COC(=O)CCCC(=O)NC1COC1 240690a_100016991112_100000239890 [0,1,0,1,0,0|2,0,0]=4 8273 B14R1.7737 COC(=O)CCCC(=O)NC1COC1 527a_100016991112_100000239890 [0,1,0,1,0,0|2,0,0]=4 8274 B14R1.7737 COC(=O)CCCC(=O)NC1CSC1 11a_100016994217_100000239890 [0,1,0,1,0,0|2,0,0]=4 8275 B14R1.7737 COC(=O)CCCC(=O)NC1CSC1 1626a_100016994217_100000239890 [0,1,0,1,0,0|2,0,0]=4 8276 B14R1.7737 COC(=O)CCCC(=O)NC1CSC1 240690a_100016994217_100000239890 [0,1,0,1,0,0|2,0,0]=4 8277 B14R1.7737 COC(=O)CCCC(=O)NC1CSC1 527a_100016994217_100000239890 [0,1,0,1,0,0|2,0,0]=4 8278 B14R1.7737 COC(=O)CCCN(C)CC1CCC1 2230a_200000750244_100011218270 [0,1,0,1,0,0|2,0,0]=4 8279 B14R1.7737 COC(=O)CCCN(C)CC1CCC1 269982a_100000739225_100000763275 [0,1,0,1,0,0|2,0,0]=4 8280 B14R1.7737 COC(=O)CCCN(C)CC1CCC1 269982a_200000750244_100011218270 [0,1,0,1,0,0|2,0,0]=4 8281 B14R1.7737 COC(=O)CCCN(C)CC1CCC1 34a_200000750244_100000742333 [0,1,0,1,0,0|2,0,0]=4 8282 B14R1.7737 COC(=O)CCNC(=O)CC1CCC1 188690a_100000683876_100000763092 [0,1,0,1,0,0|1,0,0]=3 8283 B14R1.7737 COC(=O)CCNC(=O)CC1COC1 188690a_100000683876_100000687760 [0,1,0,1,0,0|2,0,0]=4 8284 B14R1.7737 COC(=O)CCNC(=O)CN1CCC1 269982a_100000754969_100000230212 [0,1,0,1,0,0|2,0,0]=4 8285 B14R1.7737 COC(=O)CSCC(=O)CC1CCC1 1458a_100000191316_100000763275 [0,1,0,1,0,0|1,0,0]=3 8286 B14R1.7737 COC(=O)CSCC(=O)CC1CCO1 1458a_100000191316_100000103362 [0,1,0,1,0,0|2,0,0]=4 8287 B14R1.7737 COC(=O)CSCC(=O)CC1COC1 1458a_100000191316_100010264016 [0,1,0,1,0,0|2,0,0]=4 8288 B14R1.7737 COC(=O)CSCC(=O)NC1CCC1 11a_100000749019_100000191316 [0,1,0,1,0,0|2,0,0]=4 8289 B14R1.7737 COC(=O)CSCC(=O)NC1CCC1 1626a_100000749019_100000191316 [0,1,0,1,0,0|2,0,0]=4 8290 B14R1.7737 COC(=O)CSCC(=O)NC1CCC1 240690a_100000749019_100000191316 [0,1,0,1,0,0|2,0,0]=4 8291 B14R1.7738 C=CC(=O)OCCC(=O)CCC1CC1 1458a_100000065099_100000694398 [0,1,0,1,0,0|2,0,0]=4 8292 B14R1.7738 C=CC(=O)OCCC(=O)CCC1CC1 1458a_100000756386_100009813456 [0,1,0,1,0,0|2,0,0]=4 8293 B14R1.7738 CN(CCCC(=O)CCC1CC1)N=O 1458a_200000076914_100000694398 [0,1,0,1,0,0|2,0,0]=4 8294 B14R1.7738 CNC(=O)CCCC(=O)CCC1CC1 1458a_100000756386_100000741757 [0,1,0,1,0,0|1,0,0]=3 8295 B14R1.7738 CNC(=O)CCNC(=O)CCC1CC1 11a_100000738227_100000756386 [0,1,0,1,0,0|2,0,0]=4 8296 B14R1.7738 CNC(=O)CCNC(=O)CCC1CC1 240690a_100000738227_100000756386 [0,1,0,1,0,0|2,0,0]=4 8297 B14R1.7738 CNC(=O)CCNC(=O)CCC1CC1 527a_100000738227_100000756386 [0,1,0,1,0,0|2,0,0]=4 8298 B14R1.7738 CNC(=O)OCCC(=O)CCC1CC1 1458a_100000756386_200011997002 [0,1,0,1,0,0|2,0,0]=4 8299 B14R1.7738 COC(=O)CCCC(=O)C=CC1CC1 1458a_100102529529_100011218270 [0,1,0,1,0,0|0,0,2]=4 8300 B14R1.7738 COC(=O)CCCC(=O)CCC1CC1 1458a_100000239890_100000694398 [0,1,0,1,0,0|0,0,0]=2 8301 B14R1.7738 COC(=O)CCCC(=O)CCC1CC1 1458a_100000756386_100011218270 [0,1,0,1,0,0|0,0,0]=2 8302 B14R1.7738 COC(=O)CCCC(=O)CCC1CO1 1458a_100000239890_100000732470 [0,1,0,1,0,0|1,0,0]=3 8303 B14R1.7738 COC(=O)CCCC(=O)NCC1CC1 11a_100000735609_100000239890 [0,1,0,1,0,0|1,0,0]=3 8304 B14R1.7738 COC(=O)CCCC(=O)NCC1CC1 1626a_100000735609_100000239890 [0,1,0,1,0,0|1,0,0]=3 8305 B14R1.7738 COC(=O)CCCC(=O)NCC1CC1 240690a_100000735609_100000239890 [0,1,0,1,0,0|1,0,0]=3 8306 B14R1.7738 COC(=O)CCCC(=O)NCC1CC1 527a_100000735609_100000239890 [0,1,0,1,0,0|1,0,0]=3 8307 B14R1.7738 COC(=O)CCCC(=O)NNC1CC1 22a_100000701032_100000239890 [0,1,0,1,0,0|2,0,0]=4 8308 B14R1.7738 COC(=O)CCCN(C)CCC1CC1 269982a_100000739225_100000694398 [0,1,0,1,0,0|2,0,0]=4 8309 B14R1.7738 COC(=O)CCNC(=O)CCC1CC1 188690a_100000683876_100000756386 [0,1,0,1,0,0|1,0,0]=3 8310 B14R1.7738 COC(=O)CCNC(=O)CNC1CC1 34a_100000212008_100000230212 [0,1,0,1,0,0|2,0,0]=4 8311 B14R1.7738 COC(=O)CCNC(=O)CSC1CC1 62a_100000230212_100000211595 [0,1,0,1,0,0|2,0,0]=4 8312 B14R1.7738 COC(=O)CSCC(=O)CCC1CC1 1458a_100000191316_100000694398 [0,1,0,1,0,0|1,0,0]=3 8313 B14R1.7738 COC(=O)CSCC(=O)CCC1CO1 1458a_100000191316_100000732470 [0,1,0,1,0,0|2,0,0]=4 8314 B14R1.7738 COC(=O)CSCC(=O)NCC1CC1 11a_100000735609_100000191316 [0,1,0,1,0,0|2,0,0]=4 8315 B14R1.7738 COC(=O)CSCC(=O)NCC1CC1 1626a_100000735609_100000191316 [0,1,0,1,0,0|2,0,0]=4 8316 B14R1.7738 COC(=O)CSCC(=O)NCC1CC1 240690a_100000735609_100000191316 [0,1,0,1,0,0|2,0,0]=4 8317 B14R1.7739 COC(=O)CCCC(=O)C1CCC1=O 1458a_100000239890_100009892977 [0,1,0,1,0,0|1,0,1]=4 8318 B14R1.7739 COC(=O)CCCC(=O)N1CCC1C 11a_100000755817_100000239890 [0,1,0,1,0,0|1,0,0]=3 8319 B14R1.7739 COC(=O)CCCC(=O)N1CCC1C 240690a_100000755817_100000239890 [0,1,0,1,0,0|1,0,0]=3 8320 B14R1.7739 COC(=O)CCCC(=O)N1CCC1C 527a_100000755817_100000239890 [0,1,0,1,0,0|1,0,0]=3 8321 B14R1.7739 COC(=O)CSCC(=O)N1CCC1C 11a_100000755817_100000191316 [0,1,0,1,0,0|2,0,0]=4 8322 B14R1.7739 COC(=O)CSCC(=O)N1CCC1C 240690a_100000755817_100000191316 [0,1,0,1,0,0|2,0,0]=4 8323 B14R1.1603 CCC1CC1C(=O)CCCS(=O)(=O)C 1458a_200011661523_100000754308 [0,1,0,1,0,0|1,0,1]=4 8324 B14R1.1603 CCC1CC1C(=O)CCCS(=O)(=O)N 1458a_200011661523_100000750626 [0,1,0,1,0,0|1,0,1]=4 8325 B14R1.1603 CCC1CC1C(=O)CCCS(=O)(=O)[O-] 1458a_200011661523_100009813499 [0,1,0,1,0,0|1,0,1]=4 8326 B14R1.6458 CS(=O)(=O)CCCC(=O)C1CCCC1 1458a_100000210718_100000754308 [0,1,0,1,0,0|1,0,1]=4 8327 B14R1.6458 NS(=O)(=O)CCCC(=O)C1CCCC1 1458a_100000210718_100000750626 [0,1,0,1,0,0|1,0,1]=4 8328 B14R1.6458 NS(=O)(=O)CCCC(=O)C1CCCC1 1458a_100000739357_100000179811 [0,1,0,1,0,0|1,0,1]=4 8329 B14R1.6458 O=C(CCCS(=O)(=O)[O-])C1CCCC1 1458a_100000210718_100009813499 [0,1,0,1,0,0|1,0,1]=4 8330 B14R1.16826 CS(=O)(=O)CCCC(=O)CC1CCC1 1458a_100000763092_100000754308 [0,1,0,1,0,0|1,0,1]=4 8331 B14R1.16826 NS(=O)(=O)CCCC(=O)CC1CCC1 1458a_100000739357_100000763275 [0,1,0,1,0,0|1,0,1]=4 8332 B14R1.16826 NS(=O)(=O)CCCC(=O)CC1CCC1 1458a_100000763092_100000750626 [0,1,0,1,0,0|1,0,1]=4 8333 B14R1.16826 O=C(CCCS(=O)(=O)[O-])CC1CCC1 1458a_100000763092_100009813499 [0,1,0,1,0,0|1,0,1]=4 8334 B14R1.16827 CS(=O)(=O)CCCC(=O)CCC1CC1 1458a_100000756386_100000754308 [0,1,0,1,0,0|1,0,1]=4 8335 B14R1.16827 NS(=O)(=O)CCCC(=O)CCC1CC1 1458a_100000739357_100000694398 [0,1,0,1,0,0|1,0,1]=4 8336 B14R1.16827 NS(=O)(=O)CCCC(=O)CCC1CC1 1458a_100000756386_100000750626 [0,1,0,1,0,0|1,0,1]=4 8337 B14R1.16827 O=C(CCCS(=O)(=O)[O-])CCC1CC1 1458a_100000756386_100009813499 [0,1,0,1,0,0|1,0,1]=4 8338 B14R1.28 CCCC(=O)CC(=O)C1CCC(=O)N1 1458a_100000210400_100000747444 [0,1,0,1,0,0|1,0,1]=4 8339 B14R1.28 CCCC(=O)CC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_100000747444 [0,1,0,1,0,0|0,0,1]=3 8340 B14R1.28 CCCC(C)CC(=O)C1CCC(=O)N1 1458a_100000210400_100011216630 [0,1,0,1,0,0|1,0,0]=3 8341 B14R1.28 CCCC(C)CC(=O)C1CCC(C1)O 1458a_100000688591_100011216630 [0,1,0,1,0,0|1,0,1]=4 8342 B14R1.28 CCCC(C)CC(=O)C1CNC(=O)C1 1458a_100000747279_100011216630 [0,1,0,1,0,0|2,0,0]=4 8343 B14R1.28 CCCC(C)CC(=O)C1CNC(=O)N1 1458a_100000033324_100011216630 [0,1,0,1,0,0|2,0,0]=4 8344 B14R1.28 CCCC(C)CC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_100011216630 [0,1,0,1,0,0|0,0,0]=2 8345 B14R1.28 CCCC(C)CC(=O)[C@@H]1CSC(=O)N1 1458a_100000735014_100011216630 [0,1,0,1,0,0|2,0,0]=4 8346 B14R1.28 CCCC(C)NC(=O)C1CCC(=O)N1 240690a_100000741246_100000210400 [0,1,0,1,0,0|2,0,0]=4 8347 B14R1.28 CCCC(C)NC(=O)[C@@H]1CCC(=O)O1 11a_100000741246_100009814974 [0,1,0,1,0,0|1,0,0]=3 8348 B14R1.28 CCCC(C)NC(=O)[C@@H]1CCC(=O)O1 1626a_100000741246_100009814974 [0,1,0,1,0,0|1,0,0]=3 8349 B14R1.28 CCCC(C)NC(=O)[C@@H]1CCC(=O)O1 240690a_100000741246_100009814974 [0,1,0,1,0,0|1,0,0]=3 8350 B14R1.28 CCCC(C)NC(=O)[C@@H]1CCC(=O)O1 527a_100000741246_100009814974 [0,1,0,1,0,0|1,0,0]=3 8351 B14R1.28 CCNC(=O)CC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_100000183381 [0,1,0,1,0,0|1,0,1]=4 8352 B14R1.28 CCOC(=O)CC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_100000188475 [0,1,0,1,0,0|1,0,1]=4 8353 B14R1.28 COC[C@@H](C)NC(=O)[C@@H]1CCC(=O)O1 11a_100000764878_100009814974 [0,1,0,1,0,0|2,0,0]=4 8354 B14R1.28 COC[C@@H](C)NC(=O)[C@@H]1CCC(=O)O1 1626a_100000764878_100009814974 [0,1,0,1,0,0|2,0,0]=4 8355 B14R1.28 COC[C@@H](C)NC(=O)[C@@H]1CCC(=O)O1 240690a_100000764878_100009814974 [0,1,0,1,0,0|2,0,0]=4 8356 B14R1.28 COC[C@@H](C)NC(=O)[C@@H]1CCC(=O)O1 527a_100000764878_100009814974 [0,1,0,1,0,0|2,0,0]=4 8357 B14R1.28 C[C@H](CCO)NC(=O)[C@@H]1CCC(=O)O1 240690a_100000706166_100009814974 [0,1,0,1,0,0|2,0,0]=4 8358 B14R1.28 C[C@H](CCO)NC(=O)[C@@H]1CCC(=O)O1 527a_100000706166_100009814974 [0,1,0,1,0,0|2,0,0]=4 8359 B14R1.3244 C=C(CCC)CC(=O)CC1CC(=O)C1 1458a_100000138376_100009874392 [0,1,0,1,0,0|1,0,1]=4 8360 B14R1.3244 CCCC(C)CC(=O)CC1CC(=O)C1 1458a_100000748435_100009874392 [0,1,0,1,0,0|1,0,0]=3 8361 B14R1.3244 CCCS(=O)CC(=O)CC1CC(=O)C1 1458a_100011387404_100009874392 [0,1,0,1,0,0|2,0,0]=4 8362 B14R1.3244 CCSC(C)CC(=O)CC1CC(=O)C1 1458a_200011311441_100009874392 [0,1,0,1,0,0|2,0,0]=4 8363 B14R1.5035 CC(C)CCCC(=O)CC1CC(=O)C1 1458a_100011216857_100009874392 [0,1,0,1,0,0|1,0,0]=3 8364 B14R1.5035 CC(C)COCC(=O)CC1CC(=O)C1 1458a_100011223364_100009874392 [0,1,0,1,0,0|2,0,0]=4 8365 B14R1.7238 CCCC(C)CC(=O)CCCC1CO1 1458a_100000748435_100000733510 [0,1,0,1,0,0|1,0,1]=4 8366 B14R1.7347 CCCC(C)CN1CC(C1)CC(=O)O 269956a_100016993960_100011216630 [0,1,0,1,0,0|2,0,0]=4 8367 B14R1.16504 CC(=O)NCCC(=O)CC1(CCC1)C 1458a_100000183196_100000726658 [0,1,0,1,0,0|2,0,0]=4 8368 B14R1.16504 CC(=O)SCCC(=O)CC1(CCC1)C 1458a_100000048949_100000726658 [0,1,0,1,0,0|2,0,0]=4 8369 B14R1.16504 CC1(CCC1)CC(=O)CCC[N+](=O)[O-] 1458a_100016109205_100000726658 [0,1,0,1,0,0|1,0,1]=4 8370 B14R1.16504 CC1(CCC1)CC(=O)CCNC(=O)N 1458a_100000181464_100000726658 [0,1,0,1,0,0|2,0,0]=4 8371 B14R1.16504 CC1(CCC1)CC(=O)COCC(=O)N 1458a_100011219004_100000726658 [0,1,0,1,0,0|2,0,0]=4 8372 B14R1.16504 CN(CCCC(=O)O)CC1(CCC1)C 269956a_100000719178_100000726658 [0,1,0,1,0,0|2,0,0]=4 8373 B14R1.327 CN(CC(=O)O)C1CCCCCC1=O 269956a_100000746989_100000243696 [0,1,0,1,0,0|1,0,0]=3 8374 B14R1.327 CN(CC(=O)O)C1CCCCNC1=O 269956a_100000746989_100000735217 [0,1,0,1,0,0|2,0,0]=4 8375 B14R1.327 NC(=O)CC(=O)C1CCCCCC1=O 1458a_100134613110_100000243696 [0,1,0,1,0,0|1,0,1]=4 8376 B14R1.807 CN(CC(=O)O)CC(=O)N1CCCC1 269956a_100000746989_100000183516 [0,1,0,1,0,0|2,0,0]=4 8377 B14R1.328 CC(=O)C(C)SC1CCCCCC1=O 62a_100000243696_100009814033 [0,1,0,1,0,0|2,0,0]=4 8378 B14R1.328 CC(=O)C(C)SC1CCCCCC1=O 62a_100009814033_100000243696 [0,1,0,1,0,0|2,0,0]=4 8379 B14R1.328 CC(SC1CCCCCC1=O)C(=O)N 62a_100000243696_100000702099 [0,1,0,1,0,0|2,0,0]=4 8380 B14R1.328 CC(SC1CCCCCC1=O)C(=O)N 62a_100000702099_100000243696 [0,1,0,1,0,0|2,0,0]=4 8381 B14R1.328 C[C@@H](OC1CCCCCC1=O)C(=O)N 7a_100000731257_100000243696 [0,1,0,1,0,0|2,0,0]=4 8382 B14R1.328 C[C@H](NC1CCCCCC1=O)C(=O)O 269956a_100000743915_100000243696 [0,1,0,1,0,0|1,0,0]=3 8383 B14R1.328 C[C@H](NC1CCCCNC1=O)C(=O)O 269956a_100000743915_100000735217 [0,1,0,1,0,0|2,0,0]=4 8384 B14R1.328 C[C@H](OC1CCCCCC1=O)C(=O)[O-] 7a_217856618621_100000243696 [0,1,0,1,0,0|1,0,1]=4 8385 B14R1.328 NC(=O)C(F)SC1CCCCCC1=O 62a_100000243696_100009813875 [0,1,0,1,0,0|2,0,0]=4 8386 B14R1.328 NC(=O)C(F)SC1CCCCCC1=O 62a_100009813875_100000243696 [0,1,0,1,0,0|2,0,0]=4 8387 B14R1.328 O=C([O-])C(F)SC1CCCCCC1=O 62a_100000243696_100020610796 [0,1,0,1,0,0|1,0,1]=4 8388 B14R1.328 O=C([O-])C(F)SC1CCCCCC1=O 62a_100020610796_100000243696 [0,1,0,1,0,0|1,0,1]=4 8389 B14R1.421 CC(=O)N(C)CCC(=O)C1CCCC1 1458a_100011216537_100000179811 [0,1,0,1,0,0|2,0,0]=4 8390 B14R1.421 C[C@H](NCC(=O)N1CCCC1)C(=O)O 269956a_100000743915_100000183516 [0,1,0,1,0,0|2,0,0]=4 8391 B14R1.1042 CCCCCC(=O)C1CC(=O)N(C1)C 1458a_100000187535_100000210326 [0,1,0,1,0,0|2,0,0]=4 8392 B14R1.6373 CC(=O)N(C)CCC(=O)CC1CCC1 1458a_100011216537_100000763275 [0,1,0,1,0,0|2,0,0]=4 8393 B14R1.6374 CC(=O)N(C)CCC(=O)CCC1CC1 1458a_100011216537_100000694398 [0,1,0,1,0,0|2,0,0]=4 8394 B14R1.165 CCCCC(C)C(=O)C1CCC(=O)N1 1458a_100000210400_200011215066 [0,1,0,1,0,0|1,0,0]=3 8395 B14R1.165 CCCCC(C)C(=O)C1CCC(C1)O 1458a_100000688591_200011215066 [0,1,0,1,0,0|1,0,1]=4 8396 B14R1.165 CCCCC(C)C(=O)C1CNC(=O)C1 1458a_100000747279_200011215066 [0,1,0,1,0,0|2,0,0]=4 8397 B14R1.165 CCCCC(C)C(=O)C1CNC(=O)N1 1458a_100000033324_200011215066 [0,1,0,1,0,0|2,0,0]=4 8398 B14R1.165 CCCCC(C)C(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_200011215066 [0,1,0,1,0,0|0,0,0]=2 8399 B14R1.165 CCCCC(C)C(=O)[C@@H]1CSC(=O)N1 1458a_100000735014_200011215066 [0,1,0,1,0,0|2,0,0]=4 8400 B14R1.165 CCCCN(C)C(=O)C1CCC(=O)N1 240690a_100000207549_100000210400 [0,1,0,1,0,0|2,0,0]=4 8401 B14R1.165 CCCCN(C)C(=O)[C@@H]1CCC(=O)O1 11a_100000207549_100009814974 [0,1,0,1,0,0|1,0,0]=3 8402 B14R1.165 CCCCN(C)C(=O)[C@@H]1CCC(=O)O1 1626a_100000207549_100009814974 [0,1,0,1,0,0|1,0,0]=3 8403 B14R1.165 CCCCN(C)C(=O)[C@@H]1CCC(=O)O1 240690a_100000207549_100009814974 [0,1,0,1,0,0|1,0,0]=3 8404 B14R1.165 CCCCN(C)C(=O)[C@@H]1CCC(=O)O1 527a_100000207549_100009814974 [0,1,0,1,0,0|1,0,0]=3 8405 B14R1.165 CN(CCCO)C(=O)[C@@H]1CCC(=O)O1 240690a_100000213112_100009814974 [0,1,0,1,0,0|2,0,0]=4 8406 B14R1.165 CN(CCCO)C(=O)[C@@H]1CCC(=O)O1 527a_100000213112_100009814974 [0,1,0,1,0,0|2,0,0]=4 8407 B14R1.165 COCCN(C)C(=O)[C@@H]1CCC(=O)O1 11a_100000743101_100009814974 [0,1,0,1,0,0|2,0,0]=4 8408 B14R1.165 COCCN(C)C(=O)[C@@H]1CCC(=O)O1 1626a_100000743101_100009814974 [0,1,0,1,0,0|2,0,0]=4 8409 B14R1.165 COCCN(C)C(=O)[C@@H]1CCC(=O)O1 240690a_100000743101_100009814974 [0,1,0,1,0,0|2,0,0]=4 8410 B14R1.165 COCCN(C)C(=O)[C@@H]1CCC(=O)O1 527a_100000743101_100009814974 [0,1,0,1,0,0|2,0,0]=4 8411 B14R1.165 CSCCN(C)C(=O)[C@@H]1CCC(=O)O1 11a_100000686725_100009814974 [0,1,0,1,0,0|2,0,0]=4 8412 B14R1.165 CSCCN(C)C(=O)[C@@H]1CCC(=O)O1 1626a_100000686725_100009814974 [0,1,0,1,0,0|2,0,0]=4 8413 B14R1.165 CSCCN(C)C(=O)[C@@H]1CCC(=O)O1 240690a_100000686725_100009814974 [0,1,0,1,0,0|2,0,0]=4 8414 B14R1.165 CSCCN(C)C(=O)[C@@H]1CCC(=O)O1 527a_100000686725_100009814974 [0,1,0,1,0,0|2,0,0]=4 8415 B14R1.2138 CC(=O)CCCC(=O)C1CC(C1)CO 1458a_206645079618_100011215641 [0,1,0,1,0,0|2,0,0]=4 8416 B14R1.2138 COC1CC(C1)C(=O)CCCC(=O)C 1458a_100011999411_100011215641 [0,1,0,1,0,0|2,0,0]=4 8417 B14R1.2138 COC1CC(C1)C(=O)CCCC(=O)N 1458a_100011999411_100102525003 [0,1,0,1,0,0|2,0,0]=4 8418 B14R1.2138 NC(=O)CCCC(=O)C1CC(C1)CO 1458a_206645079618_100102525003 [0,1,0,1,0,0|2,0,0]=4 8419 B14R1.2474 CCCCC(C)N1CC(C1)CC(=O)O 269956a_100016993960_200011215066 [0,1,0,1,0,0|2,0,0]=4 8420 B14R1.4268 CC(=CCCC(=O)[C@@H]1CCC(=O)O1)C 1458a_100009814974_100011217483 [0,1,0,1,0,0|0,0,2]=4 8421 B14R1.4268 CC(=O)CCCC(=O)C1CCC(=O)N1 1458a_100000210400_100011215641 [0,1,0,1,0,0|1,0,1]=4 8422 B14R1.4268 CC(=O)CCCC(=O)C1CCC(C1)O 1458a_100000688591_100011215641 [0,1,0,1,0,0|1,0,0]=3 8423 B14R1.4268 CC(=O)CCCC(=O)C1CCN(C1)C 1458a_100000739633_100011215641 [0,1,0,1,0,0|2,0,0]=4 8424 B14R1.4268 CC(=O)CCCC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_100011215641 [0,1,0,1,0,0|0,0,1]=3 8425 B14R1.4268 CC(=O)NCCC(=O)C1CCC(C1)O 1458a_100000688591_100000189650 [0,1,0,1,0,0|2,0,0]=4 8426 B14R1.4268 CC(=O)NCCC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_100000189650 [0,1,0,1,0,0|1,0,1]=4 8427 B14R1.4268 CC(=O)OCCC(=O)C1CCC(C1)O 1458a_100000688591_100009814007 [0,1,0,1,0,0|2,0,0]=4 8428 B14R1.4268 CC(=O)OCCC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_100009814007 [0,1,0,1,0,0|1,0,1]=4 8429 B14R1.4268 CC(C)CCCC(=O)C1CCC(=O)N1 1458a_100000210400_100011214892 [0,1,0,1,0,0|1,0,0]=3 8430 B14R1.4268 CC(C)CCCC(=O)C1CCC(C1)O 1458a_100000688591_100011214892 [0,1,0,1,0,0|1,0,1]=4 8431 B14R1.4268 CC(C)CCCC(=O)C1CNC(=O)C1 1458a_100000747279_100011214892 [0,1,0,1,0,0|2,0,0]=4 8432 B14R1.4268 CC(C)CCCC(=O)C1CNC(=O)N1 1458a_100000033324_100011214892 [0,1,0,1,0,0|2,0,0]=4 8433 B14R1.4268 CC(C)CCCC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_100011214892 [0,1,0,1,0,0|0,0,0]=2 8434 B14R1.4268 CC(C)CCCC(=O)[C@@H]1CSC(=O)N1 1458a_100000735014_100011214892 [0,1,0,1,0,0|2,0,0]=4 8435 B14R1.4268 CC(C)CCNC(=O)C1CCC(=O)N1 240690a_100000210545_100000210400 [0,1,0,1,0,0|2,0,0]=4 8436 B14R1.4268 CC(C)CCNC(=O)[C@@H]1CCC(=O)O1 11a_100000210545_100009814974 [0,1,0,1,0,0|1,0,0]=3 8437 B14R1.4268 CC(C)CCNC(=O)[C@@H]1CCC(=O)O1 1626a_100000210545_100009814974 [0,1,0,1,0,0|1,0,0]=3 8438 B14R1.4268 CC(C)CCNC(=O)[C@@H]1CCC(=O)O1 240690a_100000210545_100009814974 [0,1,0,1,0,0|1,0,0]=3 8439 B14R1.4268 CC(C)CCNC(=O)[C@@H]1CCC(=O)O1 527a_100000210545_100009814974 [0,1,0,1,0,0|1,0,0]=3 8440 B14R1.4268 CC(C)CNNC(=O)[C@@H]1CCC(=O)O1 22a_100000696102_100009814974 [0,1,0,1,0,0|2,0,0]=4 8441 B14R1.4268 CC(C)OCCC(=O)C1CCC(=O)N1 1458a_100000210400_100000211751 [0,1,0,1,0,0|2,0,0]=4 8442 B14R1.4268 CC(C)OCCC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_100000211751 [0,1,0,1,0,0|1,0,0]=3 8443 B14R1.4268 CC(C)SCCC(=O)C1CCC(=O)N1 1458a_100000210400_100000730970 [0,1,0,1,0,0|2,0,0]=4 8444 B14R1.4268 CC(C)SCCC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_100000730970 [0,1,0,1,0,0|1,0,0]=3 8445 B14R1.4268 CC(O)CCCC(=O)C1CCC(=O)N1 1458a_100000210400_200000718107 [0,1,0,1,0,0|1,0,0]=3 8446 B14R1.4268 CC(O)CCCC(=O)C1CCC(C1)O 1458a_100000688591_200000718107 [0,1,0,1,0,0|1,0,1]=4 8447 B14R1.4268 CC(O)CCCC(=O)C1CNC(=O)C1 1458a_100000747279_200000718107 [0,1,0,1,0,0|2,0,0]=4 8448 B14R1.4268 CC(O)CCCC(=O)C1CNC(=O)N1 1458a_100000033324_200000718107 [0,1,0,1,0,0|2,0,0]=4 8449 B14R1.4268 CC(O)CCCC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_200000718107 [0,1,0,1,0,0|0,0,0]=2 8450 B14R1.4268 CC(O)CCCC(=O)[C@@H]1CSC(=O)N1 1458a_100000735014_200000718107 [0,1,0,1,0,0|2,0,0]=4 8451 B14R1.4268 CC(O)CCNC(=O)C1CCC(=O)N1 240690a_200000755665_100000210400 [0,1,0,1,0,0|2,0,0]=4 8452 B14R1.4268 CC(O)CCNC(=O)[C@@H]1CCC(=O)O1 240690a_200000755665_100009814974 [0,1,0,1,0,0|1,0,0]=3 8453 B14R1.4268 CC(O)CCNC(=O)[C@@H]1CCC(=O)O1 527a_200000755665_100009814974 [0,1,0,1,0,0|1,0,0]=3 8454 B14R1.4268 CC(O)CNNC(=O)[C@@H]1CCC(=O)O1 22a_200000730056_100009814974 [0,1,0,1,0,0|2,0,0]=4 8455 B14R1.4268 CN(C)CCCC(=O)C1CCC(=O)N1 1458a_100000210400_100000695564 [0,1,0,1,0,0|2,0,0]=4 8456 B14R1.4268 CN(C)CCCC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_100000695564 [0,1,0,1,0,0|1,0,0]=3 8457 B14R1.4268 CN(C)CCNC(=O)[C@@H]1CCC(=O)O1 240690a_100000210585_100009814974 [0,1,0,1,0,0|2,0,0]=4 8458 B14R1.4268 CN(C)CCNC(=O)[C@@H]1CCC(=O)O1 527a_100000210585_100009814974 [0,1,0,1,0,0|2,0,0]=4 8459 B14R1.4268 CN1CCC(C1)C(=O)CCCC(=O)N 1458a_100000739633_100102525003 [0,1,0,1,0,0|2,0,0]=4 8460 B14R1.4268 NC(=O)CCCC(=O)C1CCC(C1)O 1458a_100000688591_100102525003 [0,1,0,1,0,0|1,0,0]=3 8461 B14R1.4268 NC(=O)CCCC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_100102525003 [0,1,0,1,0,0|1,0,1]=4 8462 B14R1.4268 NC(=O)CCNC(=O)C1CCC(C1)O 240690a_100000740010_100000688591 [0,1,0,1,0,0|2,0,0]=4 8463 B14R1.4268 NC(=O)NCCC(=O)C1CCC(C1)O 1458a_100000688591_200000034859 [0,1,0,1,0,0|2,0,0]=4 8464 B14R1.4268 NC(=O)OCCC(=O)C1CCC(C1)O 1458a_100000688591_200011214921 [0,1,0,1,0,0|2,0,0]=4 8465 B14R1.4477 CCCCC(C)C(=O)CC1CC(=O)C1 1458a_100000725509_100009874392 [0,1,0,1,0,0|1,0,0]=3 8466 B14R1.4477 CCCCC(O)C(=O)CC1CC(=O)C1 1458a_100000720857_100009874392 [0,1,0,1,0,0|1,0,0]=3 8467 B14R1.4477 CSCCC(O)C(=O)CC1CC(=O)C1 1458a_100000685904_100009874392 [0,1,0,1,0,0|2,0,0]=4 8468 B14R1.6565 CCCCC(C)C(=O)CCCC1CO1 1458a_100000725509_100000733510 [0,1,0,1,0,0|1,0,1]=4 8469 B14R1.6565 CCCCC(O)C(=O)CCCC1CO1 1458a_100000720857_100000733510 [0,1,0,1,0,0|1,0,1]=4 8470 B14R1.16497 CC(=O)CCCC(=O)C1(CCCC1)C 1458a_100000239728_100011215641 [0,1,0,1,0,0|1,0,0]=3 8471 B14R1.16497 CC(=O)CCCC(=O)C1(CCCC1)O 1458a_100000242637_100011215641 [0,1,0,1,0,0|1,0,0]=3 8472 B14R1.16497 CC(=O)CCCC(=O)C1(CCCO1)C 1458a_100000684770_100011215641 [0,1,0,1,0,0|2,0,0]=4 8473 B14R1.16497 CC(=O)NCCC(=O)C1(CCCC1)C 1458a_100000239728_100000189650 [0,1,0,1,0,0|2,0,0]=4 8474 B14R1.16497 CC(=O)NCCC(=O)C1(CCCC1)O 1458a_100000242637_100000189650 [0,1,0,1,0,0|2,0,0]=4 8475 B14R1.16497 CC(=O)OCCC(=O)C1(CCCC1)C 1458a_100000239728_100009814007 [0,1,0,1,0,0|2,0,0]=4 8476 B14R1.16497 CC(=O)OCCC(=O)C1(CCCC1)O 1458a_100000242637_100009814007 [0,1,0,1,0,0|2,0,0]=4 8477 B14R1.16497 CC(O)CCCC(=O)C1(CCCC1)C 1458a_100000239728_200000718107 [0,1,0,1,0,0|1,0,1]=4 8478 B14R1.16497 CC(O)CCCC(=O)C1(CCCC1)O 1458a_100000242637_200000718107 [0,1,0,1,0,0|1,0,1]=4 8479 B14R1.16497 CC1(CCCC1)C(=O)CCCC(=O)N 1458a_100000239728_100102525003 [0,1,0,1,0,0|1,0,0]=3 8480 B14R1.16497 CC1(CCCC1)C(=O)CCNC(=O)N 1458a_100000239728_200000034859 [0,1,0,1,0,0|2,0,0]=4 8481 B14R1.16497 CC1(CCCC1)C(=O)CCOC(=O)N 1458a_100000239728_200011214921 [0,1,0,1,0,0|2,0,0]=4 8482 B14R1.16497 CC1(CCCC1)C(=O)NCCC(=O)N 11a_100000740010_100000239728 [0,1,0,1,0,0|2,0,0]=4 8483 B14R1.16497 CC1(CCCC1)C(=O)NCCC(=O)N 240690a_100000740010_100000239728 [0,1,0,1,0,0|2,0,0]=4 8484 B14R1.16497 CC1(CCCC1)C(=O)NCCC(=O)N 527a_100000740010_100000239728 [0,1,0,1,0,0|2,0,0]=4 8485 B14R1.16497 CC1(CCCO1)C(=O)CCCC(=O)N 1458a_100000684770_100102525003 [0,1,0,1,0,0|2,0,0]=4 8486 B14R1.16497 NC(=O)CCCC(=O)C1(CCCC1)O 1458a_100000242637_100102525003 [0,1,0,1,0,0|1,0,0]=3 8487 B14R1.16497 NC(=O)CCNC(=O)C1(CCCC1)O 240690a_100000740010_100000242637 [0,1,0,1,0,0|2,0,0]=4 8488 B14R1.16497 NC(=O)CCNC(=O)C1(CCCC1)O 527a_100000740010_100000242637 [0,1,0,1,0,0|2,0,0]=4 8489 B14R1.16497 NC(=O)NCCC(=O)C1(CCCC1)O 1458a_100000242637_200000034859 [0,1,0,1,0,0|2,0,0]=4 8490 B14R1.16497 NC(=O)OCCC(=O)C1(CCCC1)O 1458a_100000242637_200011214921 [0,1,0,1,0,0|2,0,0]=4 8491 B14R1.162 CC(CO)CNC(=O)[C@@H]1CCC(=O)O1 240690a_100000744482_100009814974 [0,1,0,1,0,0|2,0,0]=4 8492 B14R1.162 CC(CO)CNC(=O)[C@@H]1CCC(=O)O1 527a_100000744482_100009814974 [0,1,0,1,0,0|2,0,0]=4 8493 B14R1.162 CCC(C)CNC(=O)C1CCC(=O)N1 240690a_100020588543_100000210400 [0,1,0,1,0,0|2,0,0]=4 8494 B14R1.162 CCC(C)CNC(=O)[C@@H]1CCC(=O)O1 11a_100020588543_100009814974 [0,1,0,1,0,0|1,0,0]=3 8495 B14R1.162 CCC(C)CNC(=O)[C@@H]1CCC(=O)O1 1626a_100020588543_100009814974 [0,1,0,1,0,0|1,0,0]=3 8496 B14R1.162 CCC(C)CNC(=O)[C@@H]1CCC(=O)O1 240690a_100020588543_100009814974 [0,1,0,1,0,0|1,0,0]=3 8497 B14R1.162 CCC(C)CNC(=O)[C@@H]1CCC(=O)O1 527a_100020588543_100009814974 [0,1,0,1,0,0|1,0,0]=3 8498 B14R1.162 CCC(C)NNC(=O)[C@@H]1CCC(=O)O1 22a_100000718999_100009814974 [0,1,0,1,0,0|2,0,0]=4 8499 B14R1.162 CCC(O)CNC(=O)C1CCC(=O)N1 240690a_100011218483_100000210400 [0,1,0,1,0,0|2,0,0]=4 8500 B14R1.162 CCC(O)CNC(=O)[C@@H]1CCC(=O)O1 11a_100011218483_100009814974 [0,1,0,1,0,0|1,0,0]=3 8501 B14R1.162 CCC(O)CNC(=O)[C@@H]1CCC(=O)O1 240690a_100011218483_100009814974 [0,1,0,1,0,0|1,0,0]=3 8502 B14R1.162 CCC(O)CNC(=O)[C@@H]1CCC(=O)O1 527a_100011218483_100009814974 [0,1,0,1,0,0|1,0,0]=3 8503 B14R1.162 CO[C@H](C)CNC(=O)[C@@H]1CCC(=O)O1 11a_100020591295_100009814974 [0,1,0,1,0,0|2,0,0]=4 8504 B14R1.162 CO[C@H](C)CNC(=O)[C@@H]1CCC(=O)O1 1626a_100020591295_100009814974 [0,1,0,1,0,0|2,0,0]=4 8505 B14R1.162 CO[C@H](C)CNC(=O)[C@@H]1CCC(=O)O1 240690a_100020591295_100009814974 [0,1,0,1,0,0|2,0,0]=4 8506 B14R1.162 CO[C@H](C)CNC(=O)[C@@H]1CCC(=O)O1 527a_100020591295_100009814974 [0,1,0,1,0,0|2,0,0]=4 8507 B14R1.162 O=C1CC[C@H](O1)C(=O)NC[C@@H](F)CO 240690a_100015665980_100009814974 [0,1,0,1,0,0|2,0,0]=4 8508 B14R1.162 O=C1CC[C@H](O1)C(=O)NC[C@@H](F)CO 527a_100015665980_100009814974 [0,1,0,1,0,0|2,0,0]=4 8509 B14R1.162 O=C1CC[C@H](O1)C(=O)NC[C@H](O)CO 240690a_100020644852_100009814974 [0,1,0,1,0,0|2,0,0]=4 8510 B14R1.162 O=C1CC[C@H](O1)C(=O)NC[C@H](O)CO 527a_100020644852_100009814974 [0,1,0,1,0,0|2,0,0]=4 8511 B14R1.4462 CCC(C)CCC(=O)CC1CC(=O)C1 1458a_100000701222_100009874392 [0,1,0,1,0,0|1,0,0]=3 8512 B14R1.4462 CCN(C)CCC(=O)CC1CC(=O)C1 1458a_100000755305_100009874392 [0,1,0,1,0,0|2,0,0]=4 8513 B14R1.4462 CCS(=O)CCC(=O)CC1CC(=O)C1 1458a_100011387550_100009874392 [0,1,0,1,0,0|2,0,0]=4 8514 B14R1.7759 CCC(C)CCC(=O)CCCC1CO1 1458a_100000701222_100000733510 [0,1,0,1,0,0|1,0,1]=4 8515 B14R1.1456 CC(C)CCCN1CC(C1)CC(=O)O 269956a_100016993960_100011214892 [0,1,0,1,0,0|2,0,0]=4 8516 B14R1.1456 CC(O)CCCN1CC(C1)CC(=O)O 269956a_100016993960_200000718107 [0,1,0,1,0,0|2,0,0]=4 8517 B14R1.16503 CC(=O)CCCC(=O)CC1CC1(F)F 1458a_100000138109_100011215641 [0,1,0,1,0,0|2,0,0]=4 8518 B14R1.16503 NC(=O)CCCC(=O)CC1CC1(F)F 1458a_100000138109_100102525003 [0,1,0,1,0,0|2,0,0]=4 8519 B14R2.255 O=C(C1CCCC1)C2CCC(C2)O 1458a_100000688591_100000179811 [0,0,0,2,0,0|1,0,1]=4 8520 B14R2.255 O=C1CC(CN1)C(=O)C2CCCC2 1458a_100000747279_100000179811 [0,0,0,2,0,0|2,0,0]=4 8521 B14R2.255 O=C1CCC(N1)C(=O)C2CCCC2 1458a_100000210400_100000179811 [0,0,0,2,0,0|1,0,0]=3 8522 B14R2.255 O=C1CCC(N1)C(=O)C2CCOC2 1458a_100000210400_100000690089 [0,0,0,2,0,0|2,0,0]=4 8523 B14R2.255 O=C1CCC(N1)C(=O)N2CCCC2 240690a_100000188435_100000210400 [0,0,0,2,0,0|2,0,0]=4 8524 B14R2.255 O=C1CC[C@H](O1)C(=O)C2CCCC2 1458a_100009814974_100000179811 [0,0,0,2,0,0|0,0,0]=2 8525 B14R2.255 O=C1CC[C@H](O1)C(=O)C2CCOC2 1458a_100009814974_100000690089 [0,0,0,2,0,0|1,0,0]=3 8526 B14R2.255 O=C1CC[C@H](O1)C(=O)N2CCCC2 240690a_100000188435_100009814974 [0,0,0,2,0,0|1,0,0]=3 8527 B14R2.255 O=C1CC[C@H](O1)C(=O)N2CCCC2 527a_100000188435_100009814974 [0,0,0,2,0,0|1,0,0]=3 8528 B14R2.255 O=C1CC[C@H](O1)C(=O)N2CCSC2 11a_100011215254_100009814974 [0,0,0,2,0,0|2,0,0]=4 8529 B14R2.255 O=C1CC[C@H](O1)C(=O)N2CCSC2 240690a_100011215254_100009814974 [0,0,0,2,0,0|2,0,0]=4 8530 B14R2.255 O=C1CC[C@H](O1)C(=O)N2CCSC2 527a_100011215254_100009814974 [0,0,0,2,0,0|2,0,0]=4 8531 B14R2.255 O=C1NCC(N1)C(=O)C2CCCC2 1458a_100000033324_100000179811 [0,0,0,2,0,0|2,0,0]=4 8532 B14R2.255 O=C1N[C@@H](CS1)C(=O)C2CCCC2 1458a_100000735014_100000179811 [0,0,0,2,0,0|2,0,0]=4 8533 B14R2.4369 O=C1CC[C@H](O1)C(=O)N[C@@H]2C[C@@H]2F 240690a_100015190264_100009814974 [0,0,0,2,0,0|2,0,0]=4 8534 B14R2.4369 O=C1CC[C@H](O1)C(=O)N[C@@H]2C[C@@H]2F 527a_100015190264_100009814974 [0,0,0,2,0,0|2,0,0]=4 8535 B14R2.4369 O=C1CC[C@H](O1)C(=O)N[C@@H]2C[C@H]2F 11a_100025746932_100009814974 [0,0,0,2,0,0|2,0,0]=4 8536 B14R2.4369 O=C1CC[C@H](O1)C(=O)N[C@@H]2C[C@H]2F 1626a_100025746932_100009814974 [0,0,0,2,0,0|2,0,0]=4 8537 B14R2.4369 O=C1CC[C@H](O1)C(=O)N[C@@H]2C[C@H]2F 240690a_100025746932_100009814974 [0,0,0,2,0,0|2,0,0]=4 8538 B14R2.4369 O=C1CC[C@H](O1)C(=O)N[C@@H]2C[C@H]2F 527a_100025746932_100009814974 [0,0,0,2,0,0|2,0,0]=4 8539 B14R2.4375 CC1CCN1C(=O)C2CCC(=O)N2 240690a_100000755817_100000210400 [0,0,0,2,0,0|2,0,0]=4 8540 B14R2.4375 CC1CCN1C(=O)[C@@H]2CCC(=O)O2 11a_100000755817_100009814974 [0,0,0,2,0,0|1,0,0]=3 8541 B14R2.4375 CC1CCN1C(=O)[C@@H]2CCC(=O)O2 240690a_100000755817_100009814974 [0,0,0,2,0,0|1,0,0]=3 8542 B14R2.4375 CC1CCN1C(=O)[C@@H]2CCC(=O)O2 527a_100000755817_100009814974 [0,0,0,2,0,0|1,0,0]=3 8543 B14R2.4375 O=C1CC[C@H](O1)C(=O)C2CCC2=O 1458a_100009814974_100009892977 [0,0,0,2,0,0|1,0,1]=4 8544 B14R2.4396 O=C(CCC1CC1)C2CCC(C2)O 1458a_100000688591_100000694398 [0,0,0,2,0,0|1,0,1]=4 8545 B14R2.4396 O=C1CC(CN1)C(=O)CCC2CC2 1458a_100000747279_100000694398 [0,0,0,2,0,0|2,0,0]=4 8546 B14R2.4396 O=C1CCC(N1)C(=O)CCC2CC2 1458a_100000210400_100000694398 [0,0,0,2,0,0|1,0,0]=3 8547 B14R2.4396 O=C1CCC(N1)C(=O)CCC2CO2 1458a_100000210400_100000732470 [0,0,0,2,0,0|2,0,0]=4 8548 B14R2.4396 O=C1CCC(N1)C(=O)NCC2CC2 240690a_100000735609_100000210400 [0,0,0,2,0,0|2,0,0]=4 8549 B14R2.4396 O=C1CC[C@H](O1)C(=O)CCC2CC2 1458a_100009814974_100000694398 [0,0,0,2,0,0|0,0,0]=2 8550 B14R2.4396 O=C1CC[C@H](O1)C(=O)CCC2CO2 1458a_100009814974_100000732470 [0,0,0,2,0,0|1,0,0]=3 8551 B14R2.4396 O=C1CC[C@H](O1)C(=O)NCC2CC2 11a_100000735609_100009814974 [0,0,0,2,0,0|1,0,0]=3 8552 B14R2.4396 O=C1CC[C@H](O1)C(=O)NCC2CC2 1626a_100000735609_100009814974 [0,0,0,2,0,0|1,0,0]=3 8553 B14R2.4396 O=C1CC[C@H](O1)C(=O)NCC2CC2 240690a_100000735609_100009814974 [0,0,0,2,0,0|1,0,0]=3 8554 B14R2.4396 O=C1CC[C@H](O1)C(=O)NCC2CC2 527a_100000735609_100009814974 [0,0,0,2,0,0|1,0,0]=3 8555 B14R2.4396 O=C1CC[C@H](O1)C(=O)NNC2CC2 22a_100000701032_100009814974 [0,0,0,2,0,0|2,0,0]=4 8556 B14R2.4396 O=C1NCC(N1)C(=O)CCC2CC2 1458a_100000033324_100000694398 [0,0,0,2,0,0|2,0,0]=4 8557 B14R2.4396 O=C1N[C@@H](CS1)C(=O)CCC2CC2 1458a_100000735014_100000694398 [0,0,0,2,0,0|2,0,0]=4 8558 B14R2.20661 O=C(CC1CCC1)C2CCC(C2)O 1458a_100000688591_100000763275 [0,0,0,2,0,0|1,0,1]=4 8559 B14R2.20661 O=C1CC(CN1)C(=O)CC2CCC2 1458a_100000747279_100000763275 [0,0,0,2,0,0|2,0,0]=4 8560 B14R2.20661 O=C1CCC(N1)C(=O)CC2CCC2 1458a_100000210400_100000763275 [0,0,0,2,0,0|1,0,0]=3 8561 B14R2.20661 O=C1CCC(N1)C(=O)CC2CCO2 1458a_100000210400_100000103362 [0,0,0,2,0,0|2,0,0]=4 8562 B14R2.20661 O=C1CCC(N1)C(=O)CC2COC2 1458a_100000210400_100010264016 [0,0,0,2,0,0|2,0,0]=4 8563 B14R2.20661 O=C1CCC(N1)C(=O)NC2CCC2 240690a_100000749019_100000210400 [0,0,0,2,0,0|2,0,0]=4 8564 B14R2.20661 O=C1CC[C@H](O1)C(=O)CC2CCC2 1458a_100009814974_100000763275 [0,0,0,2,0,0|0,0,0]=2 8565 B14R2.20661 O=C1CC[C@H](O1)C(=O)CC2CCO2 1458a_100009814974_100000103362 [0,0,0,2,0,0|1,0,0]=3 8566 B14R2.20661 O=C1CC[C@H](O1)C(=O)CC2COC2 1458a_100009814974_100010264016 [0,0,0,2,0,0|1,0,0]=3 8567 B14R2.20661 O=C1CC[C@H](O1)C(=O)NC2CCC2 11a_100000749019_100009814974 [0,0,0,2,0,0|1,0,0]=3 8568 B14R2.20661 O=C1CC[C@H](O1)C(=O)NC2CCC2 1626a_100000749019_100009814974 [0,0,0,2,0,0|1,0,0]=3 8569 B14R2.20661 O=C1CC[C@H](O1)C(=O)NC2CCC2 240690a_100000749019_100009814974 [0,0,0,2,0,0|1,0,0]=3 8570 B14R2.20661 O=C1CC[C@H](O1)C(=O)NC2CCC2 527a_100000749019_100009814974 [0,0,0,2,0,0|1,0,0]=3 8571 B14R2.20661 O=C1CC[C@H](O1)C(=O)NC2COC2 11a_100016991112_100009814974 [0,0,0,2,0,0|2,0,0]=4 8572 B14R2.20661 O=C1CC[C@H](O1)C(=O)NC2COC2 1626a_100016991112_100009814974 [0,0,0,2,0,0|2,0,0]=4 8573 B14R2.20661 O=C1CC[C@H](O1)C(=O)NC2COC2 240690a_100016991112_100009814974 [0,0,0,2,0,0|2,0,0]=4 8574 B14R2.20661 O=C1CC[C@H](O1)C(=O)NC2COC2 527a_100016991112_100009814974 [0,0,0,2,0,0|2,0,0]=4 8575 B14R2.20661 O=C1CC[C@H](O1)C(=O)NC2CSC2 11a_100016994217_100009814974 [0,0,0,2,0,0|2,0,0]=4 8576 B14R2.20661 O=C1CC[C@H](O1)C(=O)NC2CSC2 1626a_100016994217_100009814974 [0,0,0,2,0,0|2,0,0]=4 8577 B14R2.20661 O=C1CC[C@H](O1)C(=O)NC2CSC2 240690a_100016994217_100009814974 [0,0,0,2,0,0|2,0,0]=4 8578 B14R2.20661 O=C1CC[C@H](O1)C(=O)NC2CSC2 527a_100016994217_100009814974 [0,0,0,2,0,0|2,0,0]=4 8579 B14R2.20661 O=C1NCC(N1)C(=O)CC2CCC2 1458a_100000033324_100000763275 [0,0,0,2,0,0|2,0,0]=4 8580 B14R2.20661 O=C1N[C@@H](CS1)C(=O)CC2CCC2 1458a_100000735014_100000763275 [0,0,0,2,0,0|2,0,0]=4 8581 B14R2.2937 NC(=O)CSC1C(=O)[C@H]2CC[C@@H]1C2 62a_100000747473_200015607011 [0,0,0,2,0,0|2,0,0]=4 8582 B14R2.2937 NC(=O)CSC1C(=O)[C@H]2CC[C@@H]1C2 62a_200015607011_100000747473 [0,0,0,2,0,0|2,0,0]=4 8583 B14R2.2937 O=C(O)CNC1C(=O)[C@H]2CC[C@@H]1C2 269956a_100016091260_200015607011 [0,0,0,2,0,0|1,0,0]=3 8584 B14R2.2937 O=C([O-])CSC1C(=O)[C@H]2CC[C@@H]1C2 62a_100020667443_200015607011 [0,0,0,2,0,0|1,0,1]=4 8585 B14R2.2937 O=C([O-])CSC1C(=O)[C@H]2CC[C@@H]1C2 62a_200015607011_100020667443 [0,0,0,2,0,0|1,0,1]=4 8586 B14R2.437 O=C1CC(C1)CC(=O)C2CCCC2 1458a_100000210718_100009874392 [0,0,0,2,0,0|1,0,0]=3 8587 B14R2.437 O=C1CC(C1)CC(=O)C2CCCS2 1458a_100012002731_100009874392 [0,0,0,2,0,0|2,0,0]=4 8588 B14R2.437 O=C1CC(C1)CC(=O)C2CCOC2 1458a_100011219752_100009874392 [0,0,0,2,0,0|2,0,0]=4 8589 B14R2.437 O=C1CC(C1)CC(=O)[C@@H]2CCCO2 1458a_100000686382_100009874392 [0,0,0,2,0,0|2,0,0]=4 8590 B14R2.767 O=C(O)CC1CN(C1)C2CCCC2 269956a_100016993960_100000179811 [0,0,0,2,0,0|2,0,0]=4 8591 B14R2.4253 O=C(CCCC1CO1)C2CCCC2 1458a_100000210718_100000733510 [0,0,0,2,0,0|1,0,1]=4 8592 B14R2.11249 CCC1CC1C(=O)CC2CC(=O)C2 1458a_200011661523_100009874392 [0,0,0,2,0,0|1,0,0]=3 8593 B14R2.24818 O=C(CCC1CC1)CC2CC(=O)C2 1458a_100000756386_100009874392 [0,0,0,2,0,0|1,0,0]=3 8594 B14R2.29722 O=C(CC1CCC1)CC2CC(=O)C2 1458a_100000763092_100009874392 [0,0,0,2,0,0|1,0,0]=3 8595 B14R2.29722 O=C(CC1COC1)CC2CC(=O)C2 1458a_100000687760_100009874392 [0,0,0,2,0,0|2,0,0]=4 8596 B14R2.2010 CCC1CC1C(=O)CCCC2CO2 1458a_200011661523_100000733510 [0,0,0,2,0,0|1,0,1]=4 8597 B14R2.31865 O=C(CCCC1CO1)CCC2CC2 1458a_100000756386_100000733510 [0,0,0,2,0,0|1,0,1]=4 8598 B14R2.62975 O=C(CCCC1CO1)CC2CCC2 1458a_100000763092_100000733510 [0,0,0,2,0,0|1,0,1]=4 8599 B14R2.24358 CC(=O)[C@H]1CC[C@@H]2CCC(=O)N2C1 1458a_200016117734_200000210301 [0,0,0,2,0,0|2,0,0]=4 8600 B14R2.24358 [13CH3]C(=O)[C@H]1CC[C@@H]2CCC(=O)N2C1 1458a_200016117734_200025704644 [0,0,0,2,0,0|2,0,0]=4 8601 B14R2.30980 O=C(O)CC1CN(C1)CC2CCC2 269956a_100016993960_100000763275 [0,0,0,2,0,0|2,0,0]=4 8602 B14R2.31802 O=C(O)CC1CN(C1)CCC2CC2 269956a_100016993960_100000694398 [0,0,0,2,0,0|2,0,0]=4 8603 B10R0.78 C=C(C)CCC(=O)CCCC 1458a_100000210183_100000730704 [1,0,0,0,1,0|2,0,0]=4 8604 B10R0.78 C=C(C)CCC(=O)CCCC 1458a_200000688413_100000210211 [1,0,0,0,1,0|2,0,0]=4 8605 B10R0.78 CCCCC(=O)CCC(=O)N 1458a_100011215257_100000210211 [1,0,0,0,1,0|1,0,0]=3 8606 B10R0.78 CCCCC(=O)CCC(C)O 1458a_100000210183_100012276601 [1,0,0,0,1,0|1,0,1]=4 8607 B10R0.78 CCCCC(=O)CC[N+](=O)[O-] 1458a_200000064761_100000210211 [1,0,0,0,1,0|1,0,1]=4 8608 B10R0.78 CCCCC(=O)CNC(=O)C 1458a_100000194580_100000210211 [1,0,0,0,1,0|2,0,0]=4 8609 B10R0.78 CCCCC(=O)CNC(=O)N 1458a_100000184981_100000210211 [1,0,0,0,1,0|2,0,0]=4 8610 B10R0.78 CCCCC(=O)COC(=O)C 1458a_100000183556_100000210211 [1,0,0,0,1,0|2,0,0]=4 8611 B10R0.78 CCCCC(=O)CSC(=O)C 1458a_100000049016_100000210211 [1,0,0,0,1,0|2,0,0]=4 8612 B10R0.78 CCCCC(=O)NCC(=O)N 11a_100000711301_100000210183 [1,0,0,0,1,0|2,0,0]=4 8613 B10R0.78 CCCCC(=O)NCC(=O)N 240690a_100000711301_100000210183 [1,0,0,0,1,0|2,0,0]=4 8614 B10R0.78 CCCCC(=O)NCC(=O)N 527a_100000711301_100000210183 [1,0,0,0,1,0|2,0,0]=4 8615 B10R0.78 CCCNC(=O)CCC(=O)C 1458a_100000199543_200000210301 [1,0,0,0,1,0|2,0,0]=4 8616 B10R0.78 CCCNC(=O)CCC(=O)N 240690a_100020643023_100011215257 [1,0,0,0,1,0|2,0,0]=4 8617 B10R0.78 CCCNC(=O)CCC(=O)N 527a_100020643023_100011215257 [1,0,0,0,1,0|2,0,0]=4 8618 B10R0.78 CCCNC(=O)CCC(=O)[13CH3] 1458a_100000199543_200025704644 [1,0,0,0,1,0|2,0,0]=4 8619 B10R0.78 CCNCC(=O)NCC(=O)O 269956a_100000183575_100000210202 [1,0,0,0,1,0|2,0,0]=4 8620 B10R0.78 CNCCC(=O)NCC(=O)O 269956a_100000722369_200000210301 [1,0,0,0,1,0|2,0,0]=4 8621 B10R0.78 COCCC(=O)CCC(=O)N 1458a_100011215257_100000233755 [1,0,0,0,1,0|2,0,0]=4 8622 B10R0.78 CSCCC(=O)CCC(=O)N 1458a_100011215257_100000751147 [1,0,0,0,1,0|2,0,0]=4 8623 B10R0.78 NC(=O)CCC(=O)CCCF 1458a_100011215257_100011934791 [1,0,0,0,1,0|2,0,0]=4 8624 B10R0.78 NC(=O)CCC(=O)CCCO 1458a_100011215257_100011215043 [1,0,0,0,1,0|2,0,0]=4 8625 B10R0.78 [13CH3]NCCC(=O)NCC(=O)O 269956a_100000722369_200025704644 [1,0,0,0,1,0|2,0,0]=4 8626 B10R0.6 C=C(C)CC(=O)CCCCC 1458a_100000212188_100000748629 [0,0,0,0,2,0|2,0,0]=4 8627 B10R0.6 C=C(F)CC(=O)CCCCC 1458a_100000212188_100009893438 [0,0,0,0,2,0|2,0,0]=4 8628 B10R0.6 CCCCCC(=O)CC(=O)C 1458a_100000070787_200012276598 [0,0,0,0,2,0|1,0,0]=3 8629 B10R0.6 CCCCCC(=O)CC(=O)N 1458a_100000212188_100000187820 [0,0,0,0,2,0|1,0,0]=3 8630 B10R0.6 CCCCCC(=O)CC(=O)N 1458a_100134613110_100000210326 [0,0,0,0,2,0|1,0,0]=3 8631 B10R0.6 CCCCCC(=O)CC(=O)[O-] 1458a_100000212188_100020667443 [0,0,0,0,2,0|0,0,1]=3 8632 B10R0.6 CCCCCC(=O)CC(C)O 1458a_100000212188_100011218427 [0,0,0,0,2,0|1,0,1]=4 8633 B10R0.6 CCCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000210326 [0,0,0,0,2,0|1,0,1]=4 8634 B10R0.6 CCCCCC(=O)C[N+](=O)[O-] 1458a_100000212188_100000761209 [0,0,0,0,2,0|1,0,1]=4 8635 B10R0.6 CCCCCN(C)CC(=O)O 269956a_100000746989_100000210326 [0,0,0,0,2,0|2,0,0]=4 8636 B10R0.6 CCCCNC(=O)CC(=O)C 1458a_100000070787_100000182744 [0,0,0,0,2,0|2,0,0]=4 8637 B10R0.6 CCCCNC(=O)CC(=O)N 240690a_100000102301_100134613110 [0,0,0,0,2,0|2,0,0]=4 8638 B10R0.6 CCCCNC(=O)CC(=O)N 527a_100000102301_100134613110 [0,0,0,0,2,0|2,0,0]=4 8639 B10R0.6 CCCCOC(=O)CC(=O)C 1458a_100000070787_100000211628 [0,0,0,0,2,0|2,0,0]=4 8640 B10R0.6 CCCOCC(=O)CC(=O)N 1458a_100000745993_100000187820 [0,0,0,0,2,0|2,0,0]=4 8641 B10R0.6 CCCOCC(=O)CC(=O)[O-] 1458a_100000745993_100020667443 [0,0,0,0,2,0|1,0,1]=4 8642 B10R0.6 CCCSCC(=O)CC(=O)N 1458a_100000217233_100000187820 [0,0,0,0,2,0|2,0,0]=4 8643 B10R0.6 CCCSCC(=O)CC(=O)[O-] 1458a_100000217233_100020667443 [0,0,0,0,2,0|1,0,1]=4 8644 B10R0.6 CCOCCC(=O)CC(=O)N 1458a_100000749530_100000187820 [0,0,0,0,2,0|2,0,0]=4 8645 B10R0.6 CCOCCC(=O)CC(=O)N 1458a_100134613110_100011215890 [0,0,0,0,2,0|2,0,0]=4 8646 B10R0.6 CCOCCC(=O)CC(=O)[O-] 1458a_100000749530_100020667443 [0,0,0,0,2,0|1,0,1]=4 8647 B10R0.6 CCSCCC(=O)CC(=O)N 1458a_100000230768_100000187820 [0,0,0,0,2,0|2,0,0]=4 8648 B10R0.6 CCSCCC(=O)CC(=O)N 1458a_100134613110_100000757381 [0,0,0,0,2,0|2,0,0]=4 8649 B10R0.6 CCSCCC(=O)CC(=O)[O-] 1458a_100000230768_100020667443 [0,0,0,0,2,0|1,0,1]=4 8650 B10R0.6 COCCCC(=O)CC(=O)N 1458a_100000741012_100000187820 [0,0,0,0,2,0|2,0,0]=4 8651 B10R0.6 COCCCC(=O)CC(=O)N 1458a_100134613110_100000740836 [0,0,0,0,2,0|2,0,0]=4 8652 B10R0.6 COCCCC(=O)CC(=O)[O-] 1458a_100000741012_100020667443 [0,0,0,0,2,0|1,0,1]=4 8653 B10R0.6 CSCCCC(=O)CC(=O)N 1458a_100000173376_100000187820 [0,0,0,0,2,0|2,0,0]=4 8654 B10R0.6 CSCCCC(=O)CC(=O)[O-] 1458a_100000173376_100020667443 [0,0,0,0,2,0|1,0,1]=4 8655 B10R0.6 NC(=O)CC(=O)CCCCF 1458a_100134613110_100000729493 [0,0,0,0,2,0|2,0,0]=4 8656 B10R0.6 NC(=O)CC(=O)CCCCO 1458a_100000695505_100000187820 [0,0,0,0,2,0|2,0,0]=4 8657 B10R0.6 NC(=O)CC(=O)CCCCO 1458a_100134613110_100000210776 [0,0,0,0,2,0|2,0,0]=4 8658 B10R0.6 O=C([O-])CC(=O)CCCCO 1458a_100000695505_100020667443 [0,0,0,0,2,0|1,0,1]=4 8659 B14R0.231 CC(=O)OCCCCC(=O)CCCCO 1458a_100000695505_100000033659 [0,0,0,0,0,2|2,0,0]=4 8660 B14R0.231 CC(=O)SCCCCC(=O)CCCCO 1458a_100000695505_200010402107 [0,0,0,0,0,2|2,0,0]=4 8661 B14R0.231 CCCCCC(=O)CCCCCB(O)O 1458a_100000212188_200009817188 [0,0,0,0,0,2|1,0,1]=4 8662 B14R0.231 CCCCCC(=O)CCCCCC(=O)N 1458a_100000212188_100009817443 [0,0,0,0,0,2|1,0,0]=3 8663 B14R0.231 CCCCCC(=O)CCCCC[N+](=O)[O-] 1458a_100000043470_100000210326 [0,0,0,0,0,2|1,0,1]=4 8664 B14R0.231 CCCCCC(=O)CCCCOC(=O)C 1458a_100000212188_100000033659 [0,0,0,0,0,2|1,0,0]=3 8665 B14R0.231 CCCCCC(=O)CCCCO[N+](=O)[O-] 1458a_100000212188_100015694321 [0,0,0,0,0,2|1,0,1]=4 8666 B14R0.231 CCCCCC(=O)CCCCSC(=O)C 1458a_100000212188_200010402107 [0,0,0,0,0,2|1,0,0]=3 8667 B14R0.231 CCCCCC(=O)CNCCCC(=O)N 34a_100000739312_200012276598 [0,0,0,0,0,2|1,0,0]=3 8668 B14R0.231 CCCCCC(=O)CNCCCS(=O)C 2230a_200000753449_200012276598 [0,0,0,0,0,2|2,0,0]=4 8669 B14R0.231 CCCCCC(=O)CNCCNC(=O)C 2230a_100000209853_200012276598 [0,0,0,0,0,2|1,0,0]=3 8670 B14R0.231 CCCCCC(=O)CNCCNC(=O)N 34a_100020590234_200012276598 [0,0,0,0,0,2|1,0,0]=3 8671 B14R0.231 CCCCCC(=O)COCCCC(=O)C 34a_100000759063_200012276598 [0,0,0,0,0,2|1,0,0]=3 8672 B14R0.231 CCCCCC(=O)COCCCC(=O)C 7a_100000759063_200012276598 [0,0,0,0,0,2|1,0,0]=3 8673 B14R0.231 CCCCCC(=O)COCCC[N+](=O)[O-] 34a_200000037920_200012276598 [0,0,0,0,0,2|1,0,1]=4 8674 B14R0.231 CCCCCC(=O)COCCNC(=O)C 34a_100000158858_200012276598 [0,0,0,0,0,2|1,0,0]=3 8675 B14R0.231 CCCCCC(=O)COCCNC(=O)N 34a_100000181757_200012276598 [0,0,0,0,0,2|1,0,0]=3 8676 B14R0.231 CCCCCC(=O)COCCOC(=O)N 7a_100000766696_200012276598 [0,0,0,0,0,2|1,0,0]=3 8677 B14R0.231 CCCCCC(=O)CSCCC=C(C)C 62a_100011217483_200012276598 [0,0,0,0,0,2|2,0,0]=4 8678 B14R0.231 CCCCCC(=O)CSCCC=C(C)C 62a_200012276598_100011217483 [0,0,0,0,0,2|2,0,0]=4 8679 B14R0.231 CCCCCC(=O)CSCCC=C(F)F 62a_200009816681_200012276598 [0,0,0,0,0,2|2,0,0]=4 8680 B14R0.231 CCCCCC(=O)CSCCC=C(F)F 62a_200012276598_200009816681 [0,0,0,0,0,2|2,0,0]=4 8681 B14R0.231 CCCCCC(=O)CSCCCC(=O)C 62a_100011215641_200012276598 [0,0,0,0,0,2|1,0,0]=3 8682 B14R0.231 CCCCCC(=O)CSCCCC(=O)C 62a_200012276598_100011215641 [0,0,0,0,0,2|1,0,0]=3 8683 B14R0.231 CCCCCC(=O)CSCCCC(=O)N 62a_100102525003_200012276598 [0,0,0,0,0,2|1,0,0]=3 8684 B14R0.231 CCCCCC(=O)CSCCCC(=O)N 62a_200012276598_100102525003 [0,0,0,0,0,2|1,0,0]=3 8685 B14R0.231 CCCCCC(=O)CSCCCC(C)O 62a_200000718107_200012276598 [0,0,0,0,0,2|1,0,1]=4 8686 B14R0.231 CCCCCC(=O)CSCCCC(C)O 62a_200012276598_200000718107 [0,0,0,0,0,2|1,0,1]=4 8687 B14R0.231 CCCCCC(=O)CSCCNC(=O)C 62a_100000189650_200012276598 [0,0,0,0,0,2|1,0,0]=3 8688 B14R0.231 CCCCCC(=O)CSCCNC(=O)C 62a_200012276598_100000189650 [0,0,0,0,0,2|1,0,0]=3 8689 B14R0.231 CCCCCC(=O)CSCCNC(=O)N 62a_200000034859_200012276598 [0,0,0,0,0,2|1,0,0]=3 8690 B14R0.231 CCCCCC(=O)CSCCNC(=O)N 62a_200012276598_200000034859 [0,0,0,0,0,2|1,0,0]=3 8691 B14R0.231 CCCCCC(=O)CSCCOC(=O)C 62a_100009814007_200012276598 [0,0,0,0,0,2|1,0,0]=3 8692 B14R0.231 CCCCCC(=O)CSCCOC(=O)C 62a_200012276598_100009814007 [0,0,0,0,0,2|1,0,0]=3 8693 B14R0.231 CCCCCC(=O)CSCCOC(=O)N 62a_200011214921_200012276598 [0,0,0,0,0,2|1,0,0]=3 8694 B14R0.231 CCCCCC(=O)CSCCOC(=O)N 62a_200012276598_200011214921 [0,0,0,0,0,2|1,0,0]=3 8695 B14R0.231 CCCCCC(=O)NCCCCC(=O)N 11a_100000696515_100000212188 [0,0,0,0,0,2|1,0,0]=3 8696 B14R0.231 CCCCCC(=O)NCCCCC(=O)N 1626a_100000696515_100000212188 [0,0,0,0,0,2|1,0,0]=3 8697 B14R0.231 CCCCCC(=O)NCCCCC(=O)N 240690a_100000696515_100000212188 [0,0,0,0,0,2|1,0,0]=3 8698 B14R0.231 CCCCCC(=O)NCCCCC(=O)N 527a_100000696515_100000212188 [0,0,0,0,0,2|1,0,0]=3 8699 B14R0.231 CCCCCC(=O)NCCCNC(=O)C 11a_100000736810_100000212188 [0,0,0,0,0,2|1,0,0]=3 8700 B14R0.231 CCCCCC(=O)NCCCNC(=O)C 240690a_100000736810_100000212188 [0,0,0,0,0,2|1,0,0]=3 8701 B14R0.231 CCCCCC(=O)NCCCNC(=O)C 527a_100000736810_100000212188 [0,0,0,0,0,2|1,0,0]=3 8702 B14R0.231 CCCCCC(C)NCCOCC(=O)O 269956a_100000700818_200011218191 [0,0,0,0,0,2|1,0,1]=4 8703 B14R0.231 CCCCNC(=O)CNCCCC(=O)N 34a_100000739312_100000182744 [0,0,0,0,0,2|2,0,0]=4 8704 B14R0.231 CCCCNC(=O)CNCCNC(=O)C 2230a_100000209853_100000182744 [0,0,0,0,0,2|2,0,0]=4 8705 B14R0.231 CCCCNC(=O)CNCCNC(=O)N 34a_100020590234_100000182744 [0,0,0,0,0,2|2,0,0]=4 8706 B14R0.231 CCCCNC(=O)COCCCC(=O)C 34a_100000759063_100000182744 [0,0,0,0,0,2|2,0,0]=4 8707 B14R0.231 CCCCNC(=O)COCCCC(=O)C 7a_100000759063_100000182744 [0,0,0,0,0,2|2,0,0]=4 8708 B14R0.231 CCCCNC(=O)COCCNC(=O)C 34a_100000158858_100000182744 [0,0,0,0,0,2|2,0,0]=4 8709 B14R0.231 CCCCNC(=O)COCCNC(=O)N 34a_100000181757_100000182744 [0,0,0,0,0,2|2,0,0]=4 8710 B14R0.231 CCCCNC(=O)COCCOC(=O)N 7a_100000766696_100000182744 [0,0,0,0,0,2|2,0,0]=4 8711 B14R0.231 CCCCNC(=O)CSCCCC(=O)C 62a_100000182744_100011215641 [0,0,0,0,0,2|2,0,0]=4 8712 B14R0.231 CCCCNC(=O)CSCCCC(=O)C 62a_100011215641_100000182744 [0,0,0,0,0,2|2,0,0]=4 8713 B14R0.231 CCCCNC(=O)CSCCCC(=O)N 62a_100000182744_100102525003 [0,0,0,0,0,2|2,0,0]=4 8714 B14R0.231 CCCCNC(=O)CSCCCC(=O)N 62a_100102525003_100000182744 [0,0,0,0,0,2|2,0,0]=4 8715 B14R0.231 CCCCNC(=O)CSCCNC(=O)C 62a_100000182744_100000189650 [0,0,0,0,0,2|2,0,0]=4 8716 B14R0.231 CCCCNC(=O)CSCCNC(=O)C 62a_100000189650_100000182744 [0,0,0,0,0,2|2,0,0]=4 8717 B14R0.231 CCCCNC(=O)CSCCNC(=O)N 62a_100000182744_200000034859 [0,0,0,0,0,2|2,0,0]=4 8718 B14R0.231 CCCCNC(=O)CSCCNC(=O)N 62a_200000034859_100000182744 [0,0,0,0,0,2|2,0,0]=4 8719 B14R0.231 CCCCNC(=O)CSCCOC(=O)C 62a_100000182744_100009814007 [0,0,0,0,0,2|2,0,0]=4 8720 B14R0.231 CCCCNC(=O)CSCCOC(=O)C 62a_100009814007_100000182744 [0,0,0,0,0,2|2,0,0]=4 8721 B14R0.231 CCCCNC(=O)CSCCOC(=O)N 62a_100000182744_200011214921 [0,0,0,0,0,2|2,0,0]=4 8722 B14R0.231 CCCCNC(=O)CSCCOC(=O)N 62a_200011214921_100000182744 [0,0,0,0,0,2|2,0,0]=4 8723 B14R0.231 CCCCNC(=O)NCCCCC(=O)N 273464a_100000102301_100000696515 [0,0,0,0,0,2|2,0,0]=4 8724 B14R0.231 CCCCNC(=O)NCCCCC(=O)N 273464a_100000696515_100000102301 [0,0,0,0,0,2|2,0,0]=4 8725 B14R0.231 CCCCNC(=O)NCCCCC(=O)N 512a_100000102301_100000696515 [0,0,0,0,0,2|2,0,0]=4 8726 B14R0.231 CCCCNC(=O)NCCCCC(=O)N 512a_100000696515_100000102301 [0,0,0,0,0,2|2,0,0]=4 8727 B14R0.231 CCCCNC(=O)NCCCNC(=O)C 2708a_100000102301_100000736810 [0,0,0,0,0,2|2,0,0]=4 8728 B14R0.231 CCCCNC(=O)NCCCNC(=O)C 2708a_100000736810_100000102301 [0,0,0,0,0,2|2,0,0]=4 8729 B14R0.231 CCCCNC(=O)NCCCNC(=O)C 273464a_100000102301_100000736810 [0,0,0,0,0,2|2,0,0]=4 8730 B14R0.231 CCCCNC(=O)NCCCNC(=O)C 273464a_100000736810_100000102301 [0,0,0,0,0,2|2,0,0]=4 8731 B14R0.231 CCCCNC(=O)NCCCNC(=O)C 512a_100000102301_100000736810 [0,0,0,0,0,2|2,0,0]=4 8732 B14R0.231 CCCCNC(=O)NCCCNC(=O)C 512a_100000736810_100000102301 [0,0,0,0,0,2|2,0,0]=4 8733 B14R0.231 CCCCOC(=O)CNCCCC(=O)N 34a_100000739312_100000211628 [0,0,0,0,0,2|2,0,0]=4 8734 B14R0.231 CCCCOC(=O)CNCCNC(=O)C 2230a_100000209853_100000211628 [0,0,0,0,0,2|2,0,0]=4 8735 B14R0.231 CCCCOC(=O)CNCCNC(=O)N 34a_100020590234_100000211628 [0,0,0,0,0,2|2,0,0]=4 8736 B14R0.231 CCCCOC(=O)COCCCC(=O)C 34a_100000759063_100000211628 [0,0,0,0,0,2|2,0,0]=4 8737 B14R0.231 CCCCOC(=O)COCCCC(=O)C 7a_100000759063_100000211628 [0,0,0,0,0,2|2,0,0]=4 8738 B14R0.231 CCCCOC(=O)COCCNC(=O)C 34a_100000158858_100000211628 [0,0,0,0,0,2|2,0,0]=4 8739 B14R0.231 CCCCOC(=O)COCCNC(=O)N 34a_100000181757_100000211628 [0,0,0,0,0,2|2,0,0]=4 8740 B14R0.231 CCCCOC(=O)COCCOC(=O)N 7a_100000766696_100000211628 [0,0,0,0,0,2|2,0,0]=4 8741 B14R0.231 CCCCOC(=O)CSCCCC(=O)C 62a_100000211628_100011215641 [0,0,0,0,0,2|2,0,0]=4 8742 B14R0.231 CCCCOC(=O)CSCCCC(=O)C 62a_100011215641_100000211628 [0,0,0,0,0,2|2,0,0]=4 8743 B14R0.231 CCCCOC(=O)CSCCCC(=O)N 62a_100000211628_100102525003 [0,0,0,0,0,2|2,0,0]=4 8744 B14R0.231 CCCCOC(=O)CSCCCC(=O)N 62a_100102525003_100000211628 [0,0,0,0,0,2|2,0,0]=4 8745 B14R0.231 CCCCOC(=O)CSCCNC(=O)C 62a_100000189650_100000211628 [0,0,0,0,0,2|2,0,0]=4 8746 B14R0.231 CCCCOC(=O)CSCCNC(=O)C 62a_100000211628_100000189650 [0,0,0,0,0,2|2,0,0]=4 8747 B14R0.231 CCCCOC(=O)CSCCNC(=O)N 62a_100000211628_200000034859 [0,0,0,0,0,2|2,0,0]=4 8748 B14R0.231 CCCCOC(=O)CSCCNC(=O)N 62a_200000034859_100000211628 [0,0,0,0,0,2|2,0,0]=4 8749 B14R0.231 CCCCOC(=O)CSCCOC(=O)C 62a_100000211628_100009814007 [0,0,0,0,0,2|2,0,0]=4 8750 B14R0.231 CCCCOC(=O)CSCCOC(=O)C 62a_100009814007_100000211628 [0,0,0,0,0,2|2,0,0]=4 8751 B14R0.231 CCCCOC(=O)CSCCOC(=O)N 62a_100000211628_200011214921 [0,0,0,0,0,2|2,0,0]=4 8752 B14R0.231 CCCCOC(=O)CSCCOC(=O)N 62a_200011214921_100000211628 [0,0,0,0,0,2|2,0,0]=4 8753 B14R0.231 CCCOCC(=O)CCCCCC(=O)N 1458a_100000745993_100009817443 [0,0,0,0,0,2|2,0,0]=4 8754 B14R0.231 CCCOCC(=O)CCCCOC(=O)C 1458a_100000745993_100000033659 [0,0,0,0,0,2|2,0,0]=4 8755 B14R0.231 CCCOCC(=O)CCCCSC(=O)C 1458a_100000745993_200010402107 [0,0,0,0,0,2|2,0,0]=4 8756 B14R0.231 CCCOCC(=O)NCCCCC(=O)N 11a_100000696515_100000745993 [0,0,0,0,0,2|2,0,0]=4 8757 B14R0.231 CCCOCC(=O)NCCCCC(=O)N 1626a_100000696515_100000745993 [0,0,0,0,0,2|2,0,0]=4 8758 B14R0.231 CCCOCC(=O)NCCCCC(=O)N 240690a_100000696515_100000745993 [0,0,0,0,0,2|2,0,0]=4 8759 B14R0.231 CCCOCC(=O)NCCCCC(=O)N 527a_100000696515_100000745993 [0,0,0,0,0,2|2,0,0]=4 8760 B14R0.231 CCCOCC(=O)NCCCNC(=O)C 11a_100000736810_100000745993 [0,0,0,0,0,2|2,0,0]=4 8761 B14R0.231 CCCOCC(=O)NCCCNC(=O)C 240690a_100000736810_100000745993 [0,0,0,0,0,2|2,0,0]=4 8762 B14R0.231 CCCOCC(=O)NCCCNC(=O)C 527a_100000736810_100000745993 [0,0,0,0,0,2|2,0,0]=4 8763 B14R0.231 CCCSCC(=O)CCCCCC(=O)N 1458a_100000217233_100009817443 [0,0,0,0,0,2|2,0,0]=4 8764 B14R0.231 CCCSCC(=O)CCCCOC(=O)C 1458a_100000217233_100000033659 [0,0,0,0,0,2|2,0,0]=4 8765 B14R0.231 CCCSCC(=O)CCCCSC(=O)C 1458a_100000217233_200010402107 [0,0,0,0,0,2|2,0,0]=4 8766 B14R0.231 CCCSCC(=O)NCCCCC(=O)N 11a_100000696515_100000217233 [0,0,0,0,0,2|2,0,0]=4 8767 B14R0.231 CCCSCC(=O)NCCCCC(=O)N 1626a_100000696515_100000217233 [0,0,0,0,0,2|2,0,0]=4 8768 B14R0.231 CCCSCC(=O)NCCCCC(=O)N 240690a_100000696515_100000217233 [0,0,0,0,0,2|2,0,0]=4 8769 B14R0.231 CCCSCC(=O)NCCCCC(=O)N 527a_100000696515_100000217233 [0,0,0,0,0,2|2,0,0]=4 8770 B14R0.231 CCCSCC(=O)NCCCNC(=O)C 11a_100000736810_100000217233 [0,0,0,0,0,2|2,0,0]=4 8771 B14R0.231 CCCSCC(=O)NCCCNC(=O)C 240690a_100000736810_100000217233 [0,0,0,0,0,2|2,0,0]=4 8772 B14R0.231 CCCSCC(=O)NCCCNC(=O)C 527a_100000736810_100000217233 [0,0,0,0,0,2|2,0,0]=4 8773 B14R0.231 CCOCCC(=O)CCCCCC(=O)N 1458a_100000749530_100009817443 [0,0,0,0,0,2|2,0,0]=4 8774 B14R0.231 CCOCCC(=O)CCCCOC(=O)C 1458a_100000749530_100000033659 [0,0,0,0,0,2|2,0,0]=4 8775 B14R0.231 CCOCCC(=O)CCCCSC(=O)C 1458a_100000749530_200010402107 [0,0,0,0,0,2|2,0,0]=4 8776 B14R0.231 CCOCCC(=O)NCCCCC(=O)N 11a_100000696515_100000749530 [0,0,0,0,0,2|2,0,0]=4 8777 B14R0.231 CCOCCC(=O)NCCCCC(=O)N 1626a_100000696515_100000749530 [0,0,0,0,0,2|2,0,0]=4 8778 B14R0.231 CCOCCC(=O)NCCCCC(=O)N 240690a_100000696515_100000749530 [0,0,0,0,0,2|2,0,0]=4 8779 B14R0.231 CCOCCC(=O)NCCCCC(=O)N 527a_100000696515_100000749530 [0,0,0,0,0,2|2,0,0]=4 8780 B14R0.231 CCOCCC(=O)NCCCNC(=O)C 11a_100000736810_100000749530 [0,0,0,0,0,2|2,0,0]=4 8781 B14R0.231 CCOCCC(=O)NCCCNC(=O)C 240690a_100000736810_100000749530 [0,0,0,0,0,2|2,0,0]=4 8782 B14R0.231 CCOCCC(=O)NCCCNC(=O)C 527a_100000736810_100000749530 [0,0,0,0,0,2|2,0,0]=4 8783 B14R0.231 CCSCCC(=O)CCCCCC(=O)N 1458a_100000230768_100009817443 [0,0,0,0,0,2|2,0,0]=4 8784 B14R0.231 CCSCCC(=O)CCCCOC(=O)C 1458a_100000230768_100000033659 [0,0,0,0,0,2|2,0,0]=4 8785 B14R0.231 CCSCCC(=O)CCCCSC(=O)C 1458a_100000230768_200010402107 [0,0,0,0,0,2|2,0,0]=4 8786 B14R0.231 CCSCCC(=O)NCCCCC(=O)N 11a_100000696515_100000230768 [0,0,0,0,0,2|2,0,0]=4 8787 B14R0.231 CCSCCC(=O)NCCCCC(=O)N 1626a_100000696515_100000230768 [0,0,0,0,0,2|2,0,0]=4 8788 B14R0.231 CCSCCC(=O)NCCCCC(=O)N 240690a_100000696515_100000230768 [0,0,0,0,0,2|2,0,0]=4 8789 B14R0.231 CCSCCC(=O)NCCCCC(=O)N 527a_100000696515_100000230768 [0,0,0,0,0,2|2,0,0]=4 8790 B14R0.231 CCSCCC(=O)NCCCNC(=O)C 11a_100000736810_100000230768 [0,0,0,0,0,2|2,0,0]=4 8791 B14R0.231 CCSCCC(=O)NCCCNC(=O)C 240690a_100000736810_100000230768 [0,0,0,0,0,2|2,0,0]=4 8792 B14R0.231 CCSCCC(=O)NCCCNC(=O)C 527a_100000736810_100000230768 [0,0,0,0,0,2|2,0,0]=4 8793 B14R0.231 COCCCC(=O)CCCCCC(=O)N 1458a_100000741012_100009817443 [0,0,0,0,0,2|2,0,0]=4 8794 B14R0.231 COCCCC(=O)CCCCOC(=O)C 1458a_100000741012_100000033659 [0,0,0,0,0,2|2,0,0]=4 8795 B14R0.231 COCCCC(=O)CCCCSC(=O)C 1458a_100000741012_200010402107 [0,0,0,0,0,2|2,0,0]=4 8796 B14R0.231 COCCCC(=O)NCCCCC(=O)N 11a_100000696515_100000741012 [0,0,0,0,0,2|2,0,0]=4 8797 B14R0.231 COCCCC(=O)NCCCCC(=O)N 1626a_100000696515_100000741012 [0,0,0,0,0,2|2,0,0]=4 8798 B14R0.231 COCCCC(=O)NCCCCC(=O)N 240690a_100000696515_100000741012 [0,0,0,0,0,2|2,0,0]=4 8799 B14R0.231 COCCCC(=O)NCCCCC(=O)N 527a_100000696515_100000741012 [0,0,0,0,0,2|2,0,0]=4 8800 B14R0.231 COCCCC(=O)NCCCNC(=O)C 11a_100000736810_100000741012 [0,0,0,0,0,2|2,0,0]=4 8801 B14R0.231 COCCCC(=O)NCCCNC(=O)C 240690a_100000736810_100000741012 [0,0,0,0,0,2|2,0,0]=4 8802 B14R0.231 COCCCC(=O)NCCCNC(=O)C 527a_100000736810_100000741012 [0,0,0,0,0,2|2,0,0]=4 8803 B14R0.231 CSCCCC(=O)CCCCCC(=O)N 1458a_100000173376_100009817443 [0,0,0,0,0,2|2,0,0]=4 8804 B14R0.231 CSCCCC(=O)CCCCOC(=O)C 1458a_100000173376_100000033659 [0,0,0,0,0,2|2,0,0]=4 8805 B14R0.231 CSCCCC(=O)CCCCSC(=O)C 1458a_100000173376_200010402107 [0,0,0,0,0,2|2,0,0]=4 8806 B14R0.231 CSCCCC(=O)NCCCCC(=O)N 11a_100000696515_100000173376 [0,0,0,0,0,2|2,0,0]=4 8807 B14R0.231 CSCCCC(=O)NCCCCC(=O)N 1626a_100000696515_100000173376 [0,0,0,0,0,2|2,0,0]=4 8808 B14R0.231 CSCCCC(=O)NCCCCC(=O)N 240690a_100000696515_100000173376 [0,0,0,0,0,2|2,0,0]=4 8809 B14R0.231 CSCCCC(=O)NCCCCC(=O)N 527a_100000696515_100000173376 [0,0,0,0,0,2|2,0,0]=4 8810 B14R0.231 CSCCCC(=O)NCCCNC(=O)C 11a_100000736810_100000173376 [0,0,0,0,0,2|2,0,0]=4 8811 B14R0.231 CSCCCC(=O)NCCCNC(=O)C 240690a_100000736810_100000173376 [0,0,0,0,0,2|2,0,0]=4 8812 B14R0.231 CSCCCC(=O)NCCCNC(=O)C 527a_100000736810_100000173376 [0,0,0,0,0,2|2,0,0]=4 8813 B14R0.231 NC(=O)CCCCCC(=O)CCCCO 1458a_100000695505_100009817443 [0,0,0,0,0,2|2,0,0]=4 8814 B14R0.231 NC(=O)CCCCNC(=O)CCCCO 1626a_100000696515_100000695505 [0,0,0,0,0,2|2,0,0]=4