0 B6R0.4 C#CCCC(=O)C 1458a_100000070787_100000753159 [0,0,0,0,0,0|2,0,1]=3 1 B6R0.4 C#CCCC(=O)C 1458a_100000692101_200000210301 [0,0,0,0,0,0|2,0,1]=3 2 B6R0.4 C#CCCC(=O)[13CH3] 1458a_100000692101_200025704644 [0,0,0,0,0,0|2,0,1]=3 3 B6R0.4 C#CCNC(=O)C 11a_100000212058_100015343762 [0,0,0,0,0,0|3,0,1]=4 4 B6R0.4 C#CCNC(=O)C 1626a_100000212058_100015343762 [0,0,0,0,0,0|3,0,1]=4 5 B6R0.4 C#CCNC(=O)C 240690a_100000212058_100015343762 [0,0,0,0,0,0|3,0,1]=4 6 B6R0.4 C#CCNC(=O)C 527a_100000212058_100103153847 [0,0,0,0,0,0|3,0,1]=4 7 B6R0.4 C/C=C/CC(=O)C 1458a_100000070787_100102629194 [0,0,0,0,0,0|2,0,1]=3 8 B6R0.4 C=C(Br)CCOC 34a_100009813270_200000210301 [0,0,0,0,0,0|4,0,0]=4 9 B6R0.4 C=C(Br)CCO[13CH3] 34a_100009813270_200025704644 [0,0,0,0,0,0|4,0,0]=4 10 B6R0.4 C=C(C)CCNC 2230a_106832991635_100000730704 [0,0,0,0,0,0|4,0,0]=4 11 B6R0.4 C=C(C)CCNC 34a_100102657272_100000730704 [0,0,0,0,0,0|4,0,0]=4 12 B6R0.4 C=C(C)CCNC 7a_106832991635_100000730704 [0,0,0,0,0,0|4,0,0]=4 13 B6R0.4 C=C(C)CCOC 34a_100000764851_200000210301 [0,0,0,0,0,0|4,0,0]=4 14 B6R0.4 C=C(C)CCOC 34a_100138415774_100000730704 [0,0,0,0,0,0|4,0,0]=4 15 B6R0.4 C=C(C)CCO[13CH3] 34a_100000764851_200025704644 [0,0,0,0,0,0|4,0,0]=4 16 B6R0.4 C=C(C)CCSC 62a_100000730704_200000210301 [0,0,0,0,0,0|4,0,0]=4 17 B6R0.4 C=C(C)CCSC 62a_200000210301_100000730704 [0,0,0,0,0,0|4,0,0]=4 18 B6R0.4 C=C(C)CCS[13CH3] 62a_100000730704_200025704644 [0,0,0,0,0,0|4,0,0]=4 19 B6R0.4 C=C(C)CCS[13CH3] 62a_200025704644_100000730704 [0,0,0,0,0,0|4,0,0]=4 20 B6R0.4 C=CC=CC(=O)C 1458a_100016291481_200000210301 [0,0,0,0,0,0|2,0,2]=4 21 B6R0.4 C=CC=CC(=O)[13CH3] 1458a_100016291481_200025704644 [0,0,0,0,0,0|2,0,2]=4 22 B6R0.4 C=CCCC(=O)C 1458a_100000070787_100000754431 [0,0,0,0,0,0|2,0,0]=2 23 B6R0.4 C=CCCC(=O)C 1458a_100000749702_200000210301 [0,0,0,0,0,0|2,0,0]=2 24 B6R0.4 C=CCCC(=O)[13CH3] 1458a_100000749702_200025704644 [0,0,0,0,0,0|2,0,0]=2 25 B6R0.4 C=CCCN(C)C 2230a_100020639649_200000210301 [0,0,0,0,0,0|4,0,0]=4 26 B6R0.4 C=CCCN(C)C 2230a_100102631434_100000754431 [0,0,0,0,0,0|4,0,0]=4 27 B6R0.4 C=CCCN(C)C 269982a_100020639649_200000210301 [0,0,0,0,0,0|4,0,0]=4 28 B6R0.4 C=CCCN(C)C 269982a_100102631434_100000754431 [0,0,0,0,0,0|4,0,0]=4 29 B6R0.4 C=CCCN(C)[13CH3] 2230a_100020639649_200025704644 [0,0,0,0,0,0|4,0,0]=4 30 B6R0.4 C=CCCN(C)[13CH3] 269982a_100020639649_200025704644 [0,0,0,0,0,0|4,0,0]=4 31 B6R0.4 C=CCNC(=O)C 1626a_100020586998_100015343762 [0,0,0,0,0,0|3,0,0]=3 32 B6R0.4 C=CCNC(=O)C 240690a_100020586998_100015343762 [0,0,0,0,0,0|3,0,0]=3 33 B6R0.4 C=CCNC(=O)C 527a_100020586998_100103153847 [0,0,0,0,0,0|3,0,0]=3 34 B6R0.4 CC#CCC(=O)C 1458a_100000070787_100000748600 [0,0,0,0,0,0|2,0,2]=4 35 B6R0.4 CC(=O)CCC#N 1458a_100000070787_100011215226 [0,0,0,0,0,0|2,0,1]=3 36 B6R0.4 CC(=O)CCC#N 1458a_100011934036_200000210301 [0,0,0,0,0,0|2,0,1]=3 37 B6R0.4 CC(=O)CCCF 1458a_100000070787_100011934791 [0,0,0,0,0,0|2,0,1]=3 38 B6R0.4 CC(=O)CCCO 1458a_100000070787_100011215043 [0,0,0,0,0,0|1,0,2]=3 39 B6R0.4 CC(=O)CCO[13CH3] 34a_100000759926_200025704644 [0,0,0,0,0,0|3,0,0]=3 40 B6R0.4 CC(=O)CCO[13CH3] 7a_100000759926_200025704644 [0,0,0,0,0,0|3,0,0]=3 41 B6R0.4 CC(=O)CCS[13CH3] 62a_100000053229_200025704644 [0,0,0,0,0,0|3,0,0]=3 42 B6R0.4 CC(=O)CCS[13CH3] 62a_200025704644_100000053229 [0,0,0,0,0,0|3,0,0]=3 43 B6R0.4 CC(=O)COCF 34a_100000211253_100015361967 [0,0,0,0,0,0|3,0,1]=4 44 B6R0.4 CC(=O)NCC#N 1626a_100000734998_100015343762 [0,0,0,0,0,0|3,0,1]=4 45 B6R0.4 CC(=O)NCC#N 527a_100000734998_100103153847 [0,0,0,0,0,0|3,0,1]=4 46 B6R0.4 CC(=O)NCCF 11a_100000724931_100015343762 [0,0,0,0,0,0|3,0,1]=4 47 B6R0.4 CC(=O)NCCF 1626a_100000724931_100015343762 [0,0,0,0,0,0|3,0,1]=4 48 B6R0.4 CC(=O)NCCF 240690a_100000724931_100015343762 [0,0,0,0,0,0|3,0,1]=4 49 B6R0.4 CC(=O)NCCF 527a_100000724931_100103153847 [0,0,0,0,0,0|3,0,1]=4 50 B6R0.4 CC(=O)NCCO 240690a_100000210304_100015343762 [0,0,0,0,0,0|2,0,2]=4 51 B6R0.4 CC(=O)NCCO 527a_100000210304_100103153847 [0,0,0,0,0,0|2,0,2]=4 52 B6R0.4 CC(=O)OCS[13CH3] 62a_100000076356_200025704644 [0,0,0,0,0,0|4,0,0]=4 53 B6R0.4 CC(=O)OCS[13CH3] 62a_200025704644_100000076356 [0,0,0,0,0,0|4,0,0]=4 54 B6R0.4 CC(C)NCC=O 2230a_100138425928_200015260668 [0,0,0,0,0,0|3,0,1]=4 55 B6R0.4 CC(C)NCC=O 34a_100138425928_200009817547 [0,0,0,0,0,0|3,0,1]=4 56 B6R0.4 CC(C)OCC=O 34a_100000212225_200009817547 [0,0,0,0,0,0|3,0,1]=4 57 B6R0.4 CC(C)SCC=O 62a_100000210206_200015260668 [0,0,0,0,0,0|3,0,1]=4 58 B6R0.4 CC(C)SCC=O 62a_200015260668_100000210206 [0,0,0,0,0,0|3,0,1]=4 59 B6R0.4 CC(O)CCN[13CH3] 2230a_200000755665_200025704644 [0,0,0,0,0,0|3,0,1]=4 60 B6R0.4 CC(O)CCS[13CH3] 62a_100012276601_200025704644 [0,0,0,0,0,0|3,0,1]=4 61 B6R0.4 CC(O)CCS[13CH3] 62a_200025704644_100012276601 [0,0,0,0,0,0|3,0,1]=4 62 B6R0.4 CC=CCC(=O)C 1458a_100000070787_100000070051 [0,0,0,0,0,0|2,0,1]=3 63 B6R0.4 CC=CCC(=O)C 1458a_100121576822_200000210301 [0,0,0,0,0,0|2,0,1]=3 64 B6R0.4 CC=CCC(=O)[13CH3] 1458a_100121576822_200025704644 [0,0,0,0,0,0|2,0,1]=3 65 B6R0.4 CC=NNC(=O)C 4a_100000189765_200000210099 [0,0,0,0,0,0|4,0,0]=4 66 B6R0.4 CCCCC(=O)C 1458a_100000070787_100000210211 [0,0,0,0,0,0|2,0,1]=3 67 B6R0.4 CCCCC(=O)C 1458a_100000210183_200000210301 [0,0,0,0,0,0|2,0,1]=3 68 B6R0.4 CCCCC(=O)[13CH3] 1458a_100000210183_200025704644 [0,0,0,0,0,0|2,0,1]=3 69 B6R0.4 CCCNC(=O)C 11a_100020643023_100015343762 [0,0,0,0,0,0|3,0,1]=4 70 B6R0.4 CCCNC(=O)C 1626a_100020643023_100015343762 [0,0,0,0,0,0|3,0,1]=4 71 B6R0.4 CCCNC(=O)C 240690a_100020643023_100015343762 [0,0,0,0,0,0|3,0,1]=4 72 B6R0.4 CCCNC(=O)C 527a_100020643023_100103153847 [0,0,0,0,0,0|3,0,1]=4 73 B6R0.4 CCNCC(=O)N 2230a_100000711301_100000210202 [0,0,0,0,0,0|3,0,1]=4 74 B6R0.4 CCNCC(=O)N 2230a_100015525214_100000747473 [0,0,0,0,0,0|3,0,1]=4 75 B6R0.4 CCNCC(=O)O 269956a_100016091260_100000210202 [0,0,0,0,0,0|2,0,1]=3 76 B6R0.4 CCOCC(=O)C 1458a_100000211967_200000210301 [0,0,0,0,0,0|3,0,1]=4 77 B6R0.4 CCOCC(=O)C 34a_100000211253_100000210202 [0,0,0,0,0,0|3,0,1]=4 78 B6R0.4 CCOCC(=O)N 34a_100121572206_100000187820 [0,0,0,0,0,0|3,0,1]=4 79 B6R0.4 CCOCC(=O)[13CH3] 1458a_100000211967_200025704644 [0,0,0,0,0,0|3,0,1]=4 80 B6R0.4 CCOCC(=O)[O-] 34a_100121572206_100020667443 [0,0,0,0,0,0|2,0,2]=4 81 B6R0.4 CCSCC(=O)C 1458a_100000230394_200000210301 [0,0,0,0,0,0|3,0,1]=4 82 B6R0.4 CCSCC(=O)N 62a_100000210202_100000747473 [0,0,0,0,0,0|3,0,1]=4 83 B6R0.4 CCSCC(=O)N 62a_100000747473_100000210202 [0,0,0,0,0,0|3,0,1]=4 84 B6R0.4 CCSCC(=O)[13CH3] 1458a_100000230394_200025704644 [0,0,0,0,0,0|3,0,1]=4 85 B6R0.4 CCSCC(=O)[O-] 62a_100000210202_100020667443 [0,0,0,0,0,0|2,0,2]=4 86 B6R0.4 CCSCC(=O)[O-] 62a_100020667443_100000210202 [0,0,0,0,0,0|2,0,2]=4 87 B6R0.4 CNCCC(=O)C 7a_106832991635_100000053229 [0,0,0,0,0,0|3,0,0]=3 88 B6R0.4 CNCCC(=O)N 2230a_106832991635_100000744528 [0,0,0,0,0,0|3,0,0]=3 89 B6R0.4 CNCCC(=O)N 34a_100102657272_100000731001 [0,0,0,0,0,0|3,0,0]=3 90 B6R0.4 CNCCC(=O)N 7a_106832991635_100000744528 [0,0,0,0,0,0|3,0,0]=3 91 B6R0.4 CNCCC(C)O 2230a_106832991635_100012276601 [0,0,0,0,0,0|3,0,1]=4 92 B6R0.4 CNCCC(C)O 2230a_200000755665_200000210301 [0,0,0,0,0,0|3,0,1]=4 93 B6R0.4 CNCCC(C)O 34a_100102657272_100012276601 [0,0,0,0,0,0|3,0,1]=4 94 B6R0.4 CNCCC(C)O 7a_106832991635_100012276601 [0,0,0,0,0,0|3,0,1]=4 95 B6R0.4 CNCOC(=O)C 34a_100102657272_100009813279 [0,0,0,0,0,0|4,0,0]=4 96 B6R0.4 CNOCC(=O)O 269956a_100000106656_200000210301 [0,0,0,0,0,0|3,0,0]=3 97 B6R0.4 COCCC(=O)C 1458a_100000070787_100000233755 [0,0,0,0,0,0|3,0,0]=3 98 B6R0.4 COCCC(=O)C 1458a_100000749529_200000210301 [0,0,0,0,0,0|3,0,0]=3 99 B6R0.4 COCCC(=O)C 34a_100000759926_200000210301 [0,0,0,0,0,0|3,0,0]=3 100 B6R0.4 COCCC(=O)C 7a_100000759926_200000210301 [0,0,0,0,0,0|3,0,0]=3 101 B6R0.4 COCCC(=O)N 34a_100000757172_200000210301 [0,0,0,0,0,0|3,0,0]=3 102 B6R0.4 COCCC(=O)N 34a_100138415774_100000731001 [0,0,0,0,0,0|3,0,0]=3 103 B6R0.4 COCCC(=O)N 7a_100000757172_200000210301 [0,0,0,0,0,0|3,0,0]=3 104 B6R0.4 COCCC(=O)[13CH3] 1458a_100000749529_200025704644 [0,0,0,0,0,0|3,0,0]=3 105 B6R0.4 COCCC(C)O 34a_100138415774_100012276601 [0,0,0,0,0,0|3,0,1]=4 106 B6R0.4 COCOC(=O)C 34a_100138415774_100009813279 [0,0,0,0,0,0|4,0,0]=4 107 B6R0.4 CSCCC(=O)C 1458a_100000070787_100000751147 [0,0,0,0,0,0|3,0,0]=3 108 B6R0.4 CSCCC(=O)C 1458a_100000174002_200000210301 [0,0,0,0,0,0|3,0,0]=3 109 B6R0.4 CSCCC(=O)C 62a_100000053229_200000210301 [0,0,0,0,0,0|3,0,0]=3 110 B6R0.4 CSCCC(=O)C 62a_200000210301_100000053229 [0,0,0,0,0,0|3,0,0]=3 111 B6R0.4 CSCCC(=O)N 62a_100000744528_200000210301 [0,0,0,0,0,0|3,0,0]=3 112 B6R0.4 CSCCC(=O)N 62a_200000210301_100000744528 [0,0,0,0,0,0|3,0,0]=3 113 B6R0.4 CSCCC(=O)[13CH3] 1458a_100000174002_200025704644 [0,0,0,0,0,0|3,0,0]=3 114 B6R0.4 CSCCC(C)O 62a_100012276601_200000210301 [0,0,0,0,0,0|3,0,1]=4 115 B6R0.4 CSCCC(C)O 62a_200000210301_100012276601 [0,0,0,0,0,0|3,0,1]=4 116 B6R0.4 CSCOC(=O)C 62a_100000076356_200000210301 [0,0,0,0,0,0|4,0,0]=4 117 B6R0.4 CSCOC(=O)C 62a_200000210301_100000076356 [0,0,0,0,0,0|4,0,0]=4 118 B6R0.4 NC(=O)CSCF 62a_100000747473_100015361967 [0,0,0,0,0,0|3,0,1]=4 119 B6R0.4 NC(=O)CSCF 62a_100015361967_100000747473 [0,0,0,0,0,0|3,0,1]=4 120 B6R0.4 O=C(O)CNCF 269956a_100016091260_100015361967 [0,0,0,0,0,0|2,0,1]=3 121 B6R0.4 O=C([O-])CSCF 62a_100015361967_100020667443 [0,0,0,0,0,0|2,0,2]=4 122 B6R0.4 O=C([O-])CSCF 62a_100020667443_100015361967 [0,0,0,0,0,0|2,0,2]=4 123 B6R0.4 [13CH3]C(=O)CCC#N 1458a_100011934036_200025704644 [0,0,0,0,0,0|2,0,1]=3 124 B6R0.4 [13CH3]NOCC(=O)O 269956a_100000106656_200025704644 [0,0,0,0,0,0|3,0,0]=3 125 B6R0.4 [13CH3]OCCC(=O)N 34a_100000757172_200025704644 [0,0,0,0,0,0|3,0,0]=3 126 B6R0.4 [13CH3]OCCC(=O)N 7a_100000757172_200025704644 [0,0,0,0,0,0|3,0,0]=3 127 B6R0.4 [13CH3]SCCC(=O)N 62a_100000744528_200025704644 [0,0,0,0,0,0|3,0,0]=3 128 B6R0.4 [13CH3]SCCC(=O)N 62a_200025704644_100000744528 [0,0,0,0,0,0|3,0,0]=3 129 B5R0.1 C#CCC(=O)C 1458a_100000070787_100000184674 [1,0,0,0,0,0|1,0,2]=4 130 B5R0.1 C#CCC(=O)C 1458a_100011220946_200000210301 [1,0,0,0,0,0|1,0,2]=4 131 B5R0.1 C#CCC(=O)[13CH3] 1458a_100011220946_200025704644 [1,0,0,0,0,0|1,0,2]=4 132 B5R0.1 C=CCC(=O)C 1458a_100000070787_100000210623 [1,0,0,0,0,0|1,0,1]=3 133 B5R0.1 C=CCC(=O)C 1458a_100000210193_200000210301 [1,0,0,0,0,0|1,0,1]=3 134 B5R0.1 C=CCC(=O)[13CH3] 1458a_100000210193_200025704644 [1,0,0,0,0,0|1,0,1]=3 135 B5R0.1 CC(=O)C=CBr 1458a_100016273825_200000210301 [1,0,0,0,0,0|2,0,1]=4 136 B5R0.1 CC(=O)C=CCl 1458a_200016279998_200000210301 [1,0,0,0,0,0|2,0,1]=4 137 B5R0.1 CC(=O)C=CI 1458a_100016256311_200000210301 [1,0,0,0,0,0|2,0,1]=4 138 B5R0.1 CC(=O)CC#N 1458a_100000070787_100011214920 [1,0,0,0,0,0|2,0,1]=4 139 B5R0.1 CC(=O)CC#N 1458a_100051588842_200000210301 [1,0,0,0,0,0|2,0,1]=4 140 B5R0.1 CC(=O)CCF 1458a_100000070787_100011217306 [1,0,0,0,0,0|2,0,0]=3 141 B5R0.1 CC(=O)CCO 1458a_100000070787_100000211926 [1,0,0,0,0,0|1,0,1]=3 142 B5R0.1 CC(=O)CCO 1458a_100011216618_200000210301 [1,0,0,0,0,0|1,0,1]=3 143 B5R0.1 CC(=O)CO[13CH3] 34a_100000211253_200025704644 [1,0,0,0,0,0|2,0,1]=4 144 B5R0.1 CC=CC(=O)C 1458a_100000210699_200000210301 [1,0,0,0,0,0|2,0,1]=4 145 B5R0.1 CC=CC(=O)[13CH3] 1458a_100000210699_200025704644 [1,0,0,0,0,0|2,0,1]=4 146 B5R0.1 CCCC(=O)C 1458a_100000070787_100000210303 [1,0,0,0,0,0|1,0,1]=3 147 B5R0.1 CCCC(=O)C 1458a_100000211992_200000210301 [1,0,0,0,0,0|1,0,1]=3 148 B5R0.1 CCCC(=O)[13CH3] 1458a_100000211992_200025704644 [1,0,0,0,0,0|1,0,1]=3 149 B5R0.1 CCNC(=O)C 11a_100015525214_100015343762 [1,0,0,0,0,0|2,0,1]=4 150 B5R0.1 CCNC(=O)C 240690a_100015525214_100015343762 [1,0,0,0,0,0|2,0,1]=4 151 B5R0.1 CCNC(=O)C 527a_100015525214_100103153847 [1,0,0,0,0,0|2,0,1]=4 152 B5R0.1 CN(C)CC=O 2230a_100102631434_200015260668 [1,0,0,0,0,0|3,0,0]=4 153 B5R0.1 CN(C)CC=O 269982a_100102631434_200015260668 [1,0,0,0,0,0|3,0,0]=4 154 B5R0.1 CNCC(=O)N 2230a_100000711301_200000210301 [1,0,0,0,0,0|2,0,1]=4 155 B5R0.1 CNCC(=O)N 2230a_106832991635_100000747473 [1,0,0,0,0,0|2,0,1]=4 156 B5R0.1 CNCC(=O)N 34a_100102657272_100000187820 [1,0,0,0,0,0|2,0,1]=4 157 B5R0.1 CNCC(=O)N 7a_106832991635_100000187820 [1,0,0,0,0,0|2,0,1]=4 158 B5R0.1 CNCC(=O)O 269956a_100016091260_200000210301 [1,0,0,0,0,0|1,0,1]=3 159 B5R0.1 CNCC(=O)[O-] 34a_100102657272_100020667443 [1,0,0,0,0,0|1,0,2]=4 160 B5R0.1 COCC(=O)C 1458a_100000210968_200000210301 [1,0,0,0,0,0|2,0,1]=4 161 B5R0.1 COCC(=O)C 34a_100000211253_200000210301 [1,0,0,0,0,0|2,0,1]=4 162 B5R0.1 COCC(=O)N 34a_100138415774_100000187820 [1,0,0,0,0,0|2,0,1]=4 163 B5R0.1 COCC(=O)[13CH3] 1458a_100000210968_200025704644 [1,0,0,0,0,0|2,0,1]=4 164 B5R0.1 COCC(=O)[O-] 34a_100138415774_100020667443 [1,0,0,0,0,0|1,0,2]=4 165 B5R0.1 CSCC(=O)C 1458a_100000184570_200000210301 [1,0,0,0,0,0|2,0,1]=4 166 B5R0.1 CSCC(=O)N 62a_100000747473_200000210301 [1,0,0,0,0,0|2,0,1]=4 167 B5R0.1 CSCC(=O)N 62a_200000210301_100000747473 [1,0,0,0,0,0|2,0,1]=4 168 B5R0.1 CSCC(=O)[13CH3] 1458a_100000184570_200025704644 [1,0,0,0,0,0|2,0,1]=4 169 B5R0.1 CSCC(=O)[O-] 62a_100020667443_200000210301 [1,0,0,0,0,0|1,0,2]=4 170 B5R0.1 CSCC(=O)[O-] 62a_200000210301_100020667443 [1,0,0,0,0,0|1,0,2]=4 171 B5R0.1 [13CH3]C(=O)C=CBr 1458a_100016273825_200025704644 [1,0,0,0,0,0|2,0,1]=4 172 B5R0.1 [13CH3]C(=O)C=CCl 1458a_200016279998_200025704644 [1,0,0,0,0,0|2,0,1]=4 173 B5R0.1 [13CH3]C(=O)C=CI 1458a_100016256311_200025704644 [1,0,0,0,0,0|2,0,1]=4 174 B5R0.1 [13CH3]C(=O)CC#N 1458a_100051588842_200025704644 [1,0,0,0,0,0|2,0,1]=4 175 B5R0.1 [13CH3]C(=O)CCO 1458a_100011216618_200025704644 [1,0,0,0,0,0|1,0,1]=3 176 B5R0.1 [13CH3]NCC(=O)N 2230a_100000711301_200025704644 [1,0,0,0,0,0|2,0,1]=4 177 B5R0.1 [13CH3]NCC(=O)O 269956a_100016091260_200025704644 [1,0,0,0,0,0|1,0,1]=3 178 B5R0.1 [13CH3]SCC(=O)N 62a_100000747473_200025704644 [1,0,0,0,0,0|2,0,1]=4 179 B5R0.1 [13CH3]SCC(=O)N 62a_200025704644_100000747473 [1,0,0,0,0,0|2,0,1]=4 180 B5R0.1 [13CH3]SCC(=O)[O-] 62a_100020667443_200025704644 [1,0,0,0,0,0|1,0,2]=4 181 B5R0.1 [13CH3]SCC(=O)[O-] 62a_200025704644_100020667443 [1,0,0,0,0,0|1,0,2]=4 182 B5R0.2 C=CCCNC 2230a_100015191253_200000210301 [1,0,0,0,0,0|3,0,0]=4 183 B5R0.2 C=CCCNC 2230a_106832991635_100000754431 [1,0,0,0,0,0|3,0,0]=4 184 B5R0.2 C=CCCNC 34a_100102657272_100000754431 [1,0,0,0,0,0|3,0,0]=4 185 B5R0.2 C=CCCNC 7a_106832991635_100000754431 [1,0,0,0,0,0|3,0,0]=4 186 B5R0.2 C=CCCN[13CH3] 2230a_100015191253_200025704644 [1,0,0,0,0,0|3,0,0]=4 187 B5R0.2 C=CCCOC 34a_100011205117_200000210301 [1,0,0,0,0,0|3,0,0]=4 188 B5R0.2 C=CCCOC 34a_100138415774_100000754431 [1,0,0,0,0,0|3,0,0]=4 189 B5R0.2 C=CCCO[13CH3] 34a_100011205117_200025704644 [1,0,0,0,0,0|3,0,0]=4 190 B5R0.2 C=CCCSC 62a_100000754431_200000210301 [1,0,0,0,0,0|3,0,0]=4 191 B5R0.2 C=CCCSC 62a_200000210301_100000754431 [1,0,0,0,0,0|3,0,0]=4 192 B5R0.2 C=CCCS[13CH3] 62a_100000754431_200025704644 [1,0,0,0,0,0|3,0,0]=4 193 B5R0.2 C=CCCS[13CH3] 62a_200025704644_100000754431 [1,0,0,0,0,0|3,0,0]=4 194 B5R0.2 CCNCC=O 2230a_100015525214_200015260668 [1,0,0,0,0,0|2,0,1]=4 195 B5R0.2 CCOCC=O 34a_100121572206_200009817547 [1,0,0,0,0,0|2,0,1]=4 196 B5R0.2 CCSCC=O 62a_100000210202_200015260668 [1,0,0,0,0,0|2,0,1]=4 197 B5R0.2 CCSCC=O 62a_200015260668_100000210202 [1,0,0,0,0,0|2,0,1]=4 198 B5R0.2 CNCCCO 2230a_106832991635_100000230001 [1,0,0,0,0,0|2,0,1]=4 199 B5R0.2 CNCCCO 34a_100102657272_100000230001 [1,0,0,0,0,0|2,0,1]=4 200 B5R0.2 CNCCCO 7a_106832991635_100011215043 [1,0,0,0,0,0|2,0,1]=4 201 B5R0.2 COCCCO 34a_100138415774_100000230001 [1,0,0,0,0,0|2,0,1]=4 202 B5R0.2 CSCCCO 62a_100011215043_200000210301 [1,0,0,0,0,0|2,0,1]=4 203 B5R0.2 CSCCCO 62a_200000210301_100011215043 [1,0,0,0,0,0|2,0,1]=4 204 B5R0.2 O=CCSCF 62a_100015361967_200015260668 [1,0,0,0,0,0|2,0,1]=4 205 B5R0.2 O=CCSCF 62a_200015260668_100015361967 [1,0,0,0,0,0|2,0,1]=4 206 B5R0.2 [13CH3]SCCCO 62a_100011215043_200025704644 [1,0,0,0,0,0|2,0,1]=4 207 B5R0.2 [13CH3]SCCCO 62a_200025704644_100011215043 [1,0,0,0,0,0|2,0,1]=4 208 B7R0.2 C=CC(=O)CC(=O)N 1458a_100000185746_100000187820 [0,1,0,0,0,0|2,0,1]=4 209 B7R0.2 C=CC(=O)CC(=O)[O-] 1458a_100000185746_100020667443 [0,1,0,0,0,0|1,0,2]=4 210 B7R0.2 C=CC(C)CC(=O)C 1458a_100011934298_200000210301 [0,1,0,0,0,0|2,0,0]=3 211 B7R0.2 C=CC(C)CC(=O)[13CH3] 1458a_100011934298_200025704644 [0,1,0,0,0,0|2,0,0]=3 212 B7R0.2 CC(=O)C[C@@H](C)CO 1458a_100000070787_100000059175 [0,1,0,0,0,0|1,0,2]=4 213 B7R0.2 CCC(C)CC(=O)C 1458a_100000070787_100000748023 [0,1,0,0,0,0|2,0,1]=4 214 B7R0.2 CCC(C)CC(=O)C 1458a_100000708755_200000210301 [0,1,0,0,0,0|2,0,1]=4 215 B7R0.2 CCC(C)CC(=O)[13CH3] 1458a_100000708755_200025704644 [0,1,0,0,0,0|2,0,1]=4 216 B7R0.2 CCC(O)CC(=O)C 1458a_100000070787_100011218378 [0,1,0,0,0,0|2,0,1]=4 217 B7R0.2 CCC(O)CC(=O)C 1458a_100011667805_200000210301 [0,1,0,0,0,0|2,0,1]=4 218 B7R0.2 CCC(O)CC(=O)[13CH3] 1458a_100011667805_200025704644 [0,1,0,0,0,0|2,0,1]=4 219 B7R0.2 CCN(C)CC(=O)O 269956a_100000746405_200000210301 [0,1,0,0,0,0|2,0,1]=4 220 B7R0.2 CCN(C)CC(=O)O 269956a_100000746989_100000210202 [0,1,0,0,0,0|2,0,1]=4 221 B7R0.2 CCN([13CH3])CC(=O)O 269956a_100000746405_200025704644 [0,1,0,0,0,0|2,0,1]=4 222 B7R0.2 CC[C@H](C)CC(=O)C 1458a_100000070787_100009816398 [0,1,0,0,0,0|2,0,1]=4 223 B7R0.2 CN(CF)CC(=O)O 269956a_100000746989_100015361967 [0,1,0,0,0,0|2,0,1]=4 224 B7R0.3 C#CC(=O)C/C=C/C 1458a_100000211873_100102629194 [0,1,0,0,0,0|2,0,1]=4 225 B7R0.3 C#CC(=O)CC=CC 1458a_100000211873_100000070051 [0,1,0,0,0,0|2,0,1]=4 226 B7R0.3 C#CC(=O)CCC#N 1458a_100000211873_100011215226 [0,1,0,0,0,0|2,0,1]=4 227 B7R0.3 C#CC(=O)CCC=C 1458a_100000211873_100000754431 [0,1,0,0,0,0|2,0,0]=3 228 B7R0.3 C#CC(=O)CCCC 1458a_100000211873_100000210211 [0,1,0,0,0,0|2,0,1]=4 229 B7R0.3 C#CC(=O)CCCF 1458a_100000211873_100011934791 [0,1,0,0,0,0|2,0,1]=4 230 B7R0.3 C#CC(=O)CCCO 1458a_100000211873_100011215043 [0,1,0,0,0,0|1,0,2]=4 231 B7R0.3 C#CC(=O)CCOC 1458a_100000211873_100000233755 [0,1,0,0,0,0|3,0,0]=4 232 B7R0.3 C#CC(=O)CCSC 1458a_100000211873_100000751147 [0,1,0,0,0,0|3,0,0]=4 233 B7R0.3 C#CCCC(=O)C#C 1458a_100000211873_100000753159 [0,1,0,0,0,0|2,0,1]=4 234 B7R0.3 C#CCCC(=O)C=C 1458a_100000185746_100000753159 [0,1,0,0,0,0|2,0,1]=4 235 B7R0.3 C#CCCC(=O)CC 1458a_100000210414_100000753159 [0,1,0,0,0,0|2,0,1]=4 236 B7R0.3 C#CCCC(=O)CC 1458a_100000692101_100000210202 [0,1,0,0,0,0|2,0,1]=4 237 B7R0.3 C#CCCC(=O)CF 1458a_100000692101_100015361967 [0,1,0,0,0,0|2,0,1]=4 238 B7R0.3 C#CCCC(=O)CO 1458a_100000210174_100000753159 [0,1,0,0,0,0|1,0,1]=3 239 B7R0.3 C#CCCC(=O)NC 11a_106832991635_100000692101 [0,1,0,0,0,0|2,0,1]=4 240 B7R0.3 C#CCCC(=O)NC 1626a_100102657272_100000692101 [0,1,0,0,0,0|2,0,1]=4 241 B7R0.3 C#CCCC(=O)NC 240690a_100102657272_100000692101 [0,1,0,0,0,0|2,0,1]=4 242 B7R0.3 C#CCCC(=O)NC 527a_100102657272_100000692101 [0,1,0,0,0,0|2,0,1]=4 243 B7R0.3 C#CCNC(=O)CO 240690a_100000212058_100000210174 [0,1,0,0,0,0|2,0,1]=4 244 B7R0.3 C#CCNC(=O)CO 527a_100000212058_100000210174 [0,1,0,0,0,0|2,0,1]=4 245 B7R0.3 C/C=C/CC(=O)CC 1458a_100000210414_100102629194 [0,1,0,0,0,0|2,0,1]=4 246 B7R0.3 C/C=C/CC(=O)CO 1458a_100000210174_100102629194 [0,1,0,0,0,0|1,0,1]=3 247 B7R0.3 C=CC(=O)C/C=C/C 1458a_100000185746_100102629194 [0,1,0,0,0,0|2,0,1]=4 248 B7R0.3 C=CC(=O)CC=CC 1458a_100000185746_100000070051 [0,1,0,0,0,0|2,0,1]=4 249 B7R0.3 C=CC(=O)CCC#N 1458a_100000185746_100011215226 [0,1,0,0,0,0|2,0,1]=4 250 B7R0.3 C=CC(=O)CCCC 1458a_100000185746_100000210211 [0,1,0,0,0,0|2,0,1]=4 251 B7R0.3 C=CC(=O)CCCF 1458a_100000185746_100011934791 [0,1,0,0,0,0|2,0,1]=4 252 B7R0.3 C=CC(=O)CCCO 1458a_100000185746_100011215043 [0,1,0,0,0,0|1,0,2]=4 253 B7R0.3 C=CC(=O)CCOC 1458a_100000185746_100000233755 [0,1,0,0,0,0|3,0,0]=4 254 B7R0.3 C=CC(=O)CCSC 1458a_100000185746_100000751147 [0,1,0,0,0,0|3,0,0]=4 255 B7R0.3 C=CCCC(=O)C=C 1458a_100000185746_100000754431 [0,1,0,0,0,0|2,0,0]=3 256 B7R0.3 C=CCCC(=O)CC 1458a_100000210414_100000754431 [0,1,0,0,0,0|2,0,0]=3 257 B7R0.3 C=CCCC(=O)CC 1458a_100000749702_100000210202 [0,1,0,0,0,0|2,0,0]=3 258 B7R0.3 C=CCCC(=O)CF 1458a_100000749702_100015361967 [0,1,0,0,0,0|2,0,0]=3 259 B7R0.3 C=CCCC(=O)CO 1458a_100000210174_100000754431 [0,1,0,0,0,0|1,0,0]=2 260 B7R0.3 C=CCCC(=O)NC 11a_106832991635_100000749702 [0,1,0,0,0,0|2,0,0]=3 261 B7R0.3 C=CCCC(=O)NC 1626a_100102657272_100000749702 [0,1,0,0,0,0|2,0,0]=3 262 B7R0.3 C=CCCC(=O)NC 240690a_100102657272_100000749702 [0,1,0,0,0,0|2,0,0]=3 263 B7R0.3 C=CCCC(=O)NC 527a_100102657272_100000749702 [0,1,0,0,0,0|2,0,0]=3 264 B7R0.3 C=CCCC(C)OC 34a_100000765329_200000210301 [0,1,0,0,0,0|2,0,1]=4 265 B7R0.3 C=CCCC(C)OC 7a_100000765329_200000210301 [0,1,0,0,0,0|2,0,1]=4 266 B7R0.3 C=CCCC(C)O[13CH3] 34a_100000765329_200025704644 [0,1,0,0,0,0|2,0,1]=4 267 B7R0.3 C=CCCC(C)O[13CH3] 7a_100000765329_200025704644 [0,1,0,0,0,0|2,0,1]=4 268 B7R0.3 C=CCNC(=O)C=C 1626a_100020586998_100000185746 [0,1,0,0,0,0|3,0,0]=4 269 B7R0.3 C=CCNC(=O)C=C 240690a_100020586998_200121576911 [0,1,0,0,0,0|3,0,0]=4 270 B7R0.3 C=CCNC(=O)CC 1626a_100020586998_100000210414 [0,1,0,0,0,0|3,0,0]=4 271 B7R0.3 C=CCNC(=O)CC 240690a_100020586998_100000210414 [0,1,0,0,0,0|3,0,0]=4 272 B7R0.3 C=CCNC(=O)CC 527a_100020586998_100000210414 [0,1,0,0,0,0|3,0,0]=4 273 B7R0.3 C=CCNC(=O)CO 240690a_100020586998_100000210174 [0,1,0,0,0,0|2,0,0]=3 274 B7R0.3 C=CCNC(=O)CO 527a_100020586998_100000210174 [0,1,0,0,0,0|2,0,0]=3 275 B7R0.3 C=CCNC(=O)NC 2708a_100102657272_100020586998 [0,1,0,0,0,0|3,0,0]=4 276 B7R0.3 C=CCNC(=O)NC 273464a_100020586998_100102657272 [0,1,0,0,0,0|3,0,0]=4 277 B7R0.3 C=CCNC(=O)NC 273464a_100102657272_100020586998 [0,1,0,0,0,0|3,0,0]=4 278 B7R0.3 C=CCNC(=O)NC 512a_100020586998_100102657272 [0,1,0,0,0,0|3,0,0]=4 279 B7R0.3 C=CCNC(=O)NC 512a_106832991638_100020586998 [0,1,0,0,0,0|3,0,0]=4 280 B7R0.3 CC#CCC(=O)CO 1458a_100000210174_100000748600 [0,1,0,0,0,0|1,0,2]=4 281 B7R0.3 CC(CO)SCC=O 62a_100012180447_200015260668 [0,1,0,0,0,0|2,0,1]=4 282 B7R0.3 CC=CCC(=O)CC 1458a_100000210414_100000070051 [0,1,0,0,0,0|2,0,1]=4 283 B7R0.3 CC=CCC(=O)CC 1458a_100121576822_100000210202 [0,1,0,0,0,0|2,0,1]=4 284 B7R0.3 CC=CCC(=O)CF 1458a_100121576822_100015361967 [0,1,0,0,0,0|2,0,1]=4 285 B7R0.3 CC=CCC(=O)CO 1458a_100000210174_100000070051 [0,1,0,0,0,0|1,0,1]=3 286 B7R0.3 CC=CCC(=O)NC 11a_106832991635_100121576822 [0,1,0,0,0,0|2,0,1]=4 287 B7R0.3 CC=CCC(=O)NC 1626a_100102657272_100121576822 [0,1,0,0,0,0|2,0,1]=4 288 B7R0.3 CC=CCC(=O)NC 240690a_100102657272_100121576822 [0,1,0,0,0,0|2,0,1]=4 289 B7R0.3 CC=CCC(=O)NC 527a_100102657272_100121576822 [0,1,0,0,0,0|2,0,1]=4 290 B7R0.3 CCC(=O)CCC#N 1458a_100000210414_100011215226 [0,1,0,0,0,0|2,0,1]=4 291 B7R0.3 CCC(=O)CCC#N 1458a_100011934036_100000210202 [0,1,0,0,0,0|2,0,1]=4 292 B7R0.3 CCC(=O)CCCF 1458a_100000210414_100011934791 [0,1,0,0,0,0|2,0,1]=4 293 B7R0.3 CCC(=O)CCCO 1458a_100000210414_100011215043 [0,1,0,0,0,0|1,0,2]=4 294 B7R0.3 CCC(=O)CCOC 1458a_100000210414_100000233755 [0,1,0,0,0,0|3,0,0]=4 295 B7R0.3 CCC(=O)CCOC 1458a_100000749529_100000210202 [0,1,0,0,0,0|3,0,0]=4 296 B7R0.3 CCC(=O)CCSC 1458a_100000174002_100000210202 [0,1,0,0,0,0|3,0,0]=4 297 B7R0.3 CCC(=O)CCSC 1458a_100000210414_100000751147 [0,1,0,0,0,0|3,0,0]=4 298 B7R0.3 CCCCC(=O)CC 1458a_100000210183_100000210202 [0,1,0,0,0,0|2,0,1]=4 299 B7R0.3 CCCCC(=O)CC 1458a_100000210414_100000210211 [0,1,0,0,0,0|2,0,1]=4 300 B7R0.3 CCCCC(=O)CF 1458a_100000210183_100015361967 [0,1,0,0,0,0|2,0,1]=4 301 B7R0.3 CCCCC(=O)CO 1458a_100000210174_100000210211 [0,1,0,0,0,0|1,0,1]=3 302 B7R0.3 CCCCC(=O)NC 11a_106832991635_100000210183 [0,1,0,0,0,0|2,0,1]=4 303 B7R0.3 CCCCC(=O)NC 1626a_100102657272_100000210183 [0,1,0,0,0,0|2,0,1]=4 304 B7R0.3 CCCCC(=O)NC 240690a_100102657272_100000210183 [0,1,0,0,0,0|2,0,1]=4 305 B7R0.3 CCCCC(=O)NC 527a_100102657272_100000210183 [0,1,0,0,0,0|2,0,1]=4 306 B7R0.3 CCCNC(=O)CO 240690a_100020643023_100000210174 [0,1,0,0,0,0|2,0,1]=4 307 B7R0.3 CCCNC(=O)CO 527a_100020643023_100000210174 [0,1,0,0,0,0|2,0,1]=4 308 B7R0.3 CCNCC(=O)OC 2230a_100015525214_100000747449 [0,1,0,0,0,0|2,0,1]=4 309 B7R0.3 CCOCC(=O)OC 34a_100121572206_100000747449 [0,1,0,0,0,0|2,0,1]=4 310 B7R0.3 CCSCC(=O)OC 62a_100000210202_100000747449 [0,1,0,0,0,0|2,0,1]=4 311 B7R0.3 CCSCC(=O)OC 62a_100000747449_100000210202 [0,1,0,0,0,0|2,0,1]=4 312 B7R0.3 CNC(=O)CCC#N 11a_106832991635_100011934036 [0,1,0,0,0,0|2,0,1]=4 313 B7R0.3 CNC(=O)CCC#N 1626a_100102657272_100011934036 [0,1,0,0,0,0|2,0,1]=4 314 B7R0.3 CNC(=O)CCC#N 240690a_100102657272_100011934036 [0,1,0,0,0,0|2,0,1]=4 315 B7R0.3 CNC(=O)CCC#N 527a_100102657272_100011934036 [0,1,0,0,0,0|2,0,1]=4 316 B7R0.3 CNC(=O)CCN[13CH3] 2230a_100000738227_200025704644 [0,1,0,0,0,0|3,0,0]=4 317 B7R0.3 CNC(=O)CCN[13CH3] 34a_100000738227_200025704644 [0,1,0,0,0,0|3,0,0]=4 318 B7R0.3 CNC(=O)CCOC 11a_106832991635_100000749529 [0,1,0,0,0,0|3,0,0]=4 319 B7R0.3 CNC(=O)CCOC 1626a_100102657272_100000749529 [0,1,0,0,0,0|3,0,0]=4 320 B7R0.3 CNC(=O)CCOC 240690a_100102657272_100000749529 [0,1,0,0,0,0|3,0,0]=4 321 B7R0.3 CNC(=O)CCOC 34a_100000754576_200000210301 [0,1,0,0,0,0|3,0,0]=4 322 B7R0.3 CNC(=O)CCOC 34a_100138415774_100012179268 [0,1,0,0,0,0|3,0,0]=4 323 B7R0.3 CNC(=O)CCOC 527a_100102657272_100000749529 [0,1,0,0,0,0|3,0,0]=4 324 B7R0.3 CNC(=O)CCO[13CH3] 34a_100000754576_200025704644 [0,1,0,0,0,0|3,0,0]=4 325 B7R0.3 CNC(=O)CCSC 11a_106832991635_100000174002 [0,1,0,0,0,0|3,0,0]=4 326 B7R0.3 CNC(=O)CCSC 1626a_100102657272_100000174002 [0,1,0,0,0,0|3,0,0]=4 327 B7R0.3 CNC(=O)CCSC 240690a_100102657272_100000174002 [0,1,0,0,0,0|3,0,0]=4 328 B7R0.3 CNC(=O)CCSC 527a_100102657272_100000174002 [0,1,0,0,0,0|3,0,0]=4 329 B7R0.3 CNC(=O)CCSC 62a_100000737683_200000210301 [0,1,0,0,0,0|3,0,0]=4 330 B7R0.3 CNC(=O)CCSC 62a_200000210301_100000737683 [0,1,0,0,0,0|3,0,0]=4 331 B7R0.3 CNC(=O)CCS[13CH3] 62a_100000737683_200025704644 [0,1,0,0,0,0|3,0,0]=4 332 B7R0.3 CNC(=O)CCS[13CH3] 62a_200025704644_100000737683 [0,1,0,0,0,0|3,0,0]=4 333 B7R0.3 CNCCC(=O)NC 2230a_100000738227_200000210301 [0,1,0,0,0,0|3,0,0]=4 334 B7R0.3 CNCCC(=O)NC 2230a_106832991635_100000737683 [0,1,0,0,0,0|3,0,0]=4 335 B7R0.3 CNCCC(=O)NC 34a_100000738227_200000210301 [0,1,0,0,0,0|3,0,0]=4 336 B7R0.3 CNCCC(=O)NC 34a_100102657272_100012179268 [0,1,0,0,0,0|3,0,0]=4 337 B7R0.3 CNCCC(=O)NC 7a_106832991635_100000737683 [0,1,0,0,0,0|3,0,0]=4 338 B7R0.3 CNCCC(=O)OC 2230a_106832991635_100000204255 [0,1,0,0,0,0|2,0,0]=3 339 B7R0.3 CNCCC(=O)OC 34a_100102657272_100000742370 [0,1,0,0,0,0|2,0,0]=3 340 B7R0.3 CNCCC(=O)OC 7a_106832991635_100000204255 [0,1,0,0,0,0|2,0,0]=3 341 B7R0.3 COC(=O)CCSC 62a_100000204255_200000210301 [0,1,0,0,0,0|2,0,0]=3 342 B7R0.3 COC(=O)CCSC 62a_200000210301_100000204255 [0,1,0,0,0,0|2,0,0]=3 343 B7R0.3 COC(=O)CCS[13CH3] 62a_100000204255_200025704644 [0,1,0,0,0,0|2,0,0]=3 344 B7R0.3 COC(=O)CCS[13CH3] 62a_200025704644_100000204255 [0,1,0,0,0,0|2,0,0]=3 345 B7R0.3 COC(=O)CSCF 62a_100000747449_100015361967 [0,1,0,0,0,0|2,0,1]=4 346 B7R0.3 COC(=O)CSCF 62a_100015361967_100000747449 [0,1,0,0,0,0|2,0,1]=4 347 B7R0.3 COC(=O)OCSC 62a_200000210301_100000139417 [0,1,0,0,0,0|3,0,0]=4 348 B7R0.3 COC(=O)OCS[13CH3] 62a_200025704644_100000139417 [0,1,0,0,0,0|3,0,0]=4 349 B7R0.3 COC(C)SCC=O 62a_100009879195_200015260668 [0,1,0,0,0,0|2,0,1]=4 350 B7R0.3 COC(C)SCC=O 62a_200015260668_100009879195 [0,1,0,0,0,0|2,0,1]=4 351 B7R0.3 COCCC(=NO)N 34a_100000749954_200000210301 [0,1,0,0,0,0|3,0,0]=4 352 B7R0.3 COCCC(=O)CF 1458a_100000749529_100015361967 [0,1,0,0,0,0|3,0,0]=4 353 B7R0.3 COCCC(=O)CO 1458a_100000210174_100000233755 [0,1,0,0,0,0|2,0,0]=3 354 B7R0.3 COCCC(=O)OC 34a_100138415774_100000742370 [0,1,0,0,0,0|2,0,0]=3 355 B7R0.3 CSCCC(=O)CF 1458a_100000174002_100015361967 [0,1,0,0,0,0|3,0,0]=4 356 B7R0.3 CSCCC(=O)CO 1458a_100000210174_100000751147 [0,1,0,0,0,0|2,0,0]=3 357 B7R0.3 C[C@H](CO)NCC=O 2230a_100000737577_200015260668 [0,1,0,0,0,0|2,0,1]=4 358 B7R0.3 C[C@H](CO)SCC=O 62a_100016084084_200015260668 [0,1,0,0,0,0|2,0,1]=4 359 B7R0.3 C[C@H](CO)SCC=O 62a_200015260668_100016084084 [0,1,0,0,0,0|2,0,1]=4 360 B7R0.3 N#CCCC(=O)CF 1458a_100011934036_100015361967 [0,1,0,0,0,0|2,0,1]=4 361 B7R0.3 N#CCCC(=O)CO 1458a_100000210174_100011215226 [0,1,0,0,0,0|1,0,1]=3 362 B7R0.3 N#CCNC(=O)CO 527a_100000734998_100000210174 [0,1,0,0,0,0|2,0,1]=4 363 B7R0.3 O=C(CO)CCCF 1458a_100000210174_100011934791 [0,1,0,0,0,0|1,0,1]=3 364 B7R0.3 O=C(CO)CCCO 1458a_100000210174_100011215043 [0,1,0,0,0,0|0,0,2]=3 365 B7R0.3 O=C(CO)NCCF 240690a_100000724931_100000210174 [0,1,0,0,0,0|2,0,1]=4 366 B7R0.3 O=C(CO)NCCF 527a_100000724931_100000210174 [0,1,0,0,0,0|2,0,1]=4 367 B7R0.3 O=C(CO)NCCO 240690a_100000210304_100000210174 [0,1,0,0,0,0|1,0,2]=4 368 B7R0.3 O=C(CO)NCCO 527a_100000210304_100000210174 [0,1,0,0,0,0|1,0,2]=4 369 B7R0.3 [13CH3]OCCC(=NO)N 34a_100000749954_200025704644 [0,1,0,0,0,0|3,0,0]=4 370 B7R0.4 C#CCCCC(=O)C 1458a_100000070787_100000731252 [0,1,0,0,0,0|2,0,1]=4 371 B7R0.4 C#CCCCC(=O)C 1458a_100000690238_200000210301 [0,1,0,0,0,0|2,0,1]=4 372 B7R0.4 C#CCCCC(=O)[13CH3] 1458a_100000690238_200025704644 [0,1,0,0,0,0|2,0,1]=4 373 B7R0.4 C#CCCNC(=O)C 11a_100000755551_100015343762 [0,1,0,0,0,0|2,0,1]=4 374 B7R0.4 C#CCCNC(=O)C 1626a_100000755551_100015343762 [0,1,0,0,0,0|2,0,1]=4 375 B7R0.4 C#CCCNC(=O)C 240690a_100000755551_100015343762 [0,1,0,0,0,0|2,0,1]=4 376 B7R0.4 C#CCCNC(=O)C 527a_100000755551_100103153847 [0,1,0,0,0,0|2,0,1]=4 377 B7R0.4 C#CCNCC(=O)N 2230a_100000711301_100000038162 [0,1,0,0,0,0|2,0,1]=4 378 B7R0.4 C#CCNCC(=O)N 34a_100000212058_100000187820 [0,1,0,0,0,0|2,0,1]=4 379 B7R0.4 C#CCNCC(=O)O 269956a_100016091260_100000184674 [0,1,0,0,0,0|1,0,1]=3 380 B7R0.4 C#CCNCC(=O)[O-] 34a_100000212058_100020667443 [0,1,0,0,0,0|1,0,2]=4 381 B7R0.4 C#CCOCC(=O)C 1458a_100011251226_200000210301 [0,1,0,0,0,0|2,0,1]=4 382 B7R0.4 C#CCOCC(=O)C 34a_100000211253_100000184674 [0,1,0,0,0,0|2,0,1]=4 383 B7R0.4 C#CCOCC(=O)N 34a_100000210247_100000187820 [0,1,0,0,0,0|2,0,1]=4 384 B7R0.4 C#CCOCC(=O)[13CH3] 1458a_100011251226_200025704644 [0,1,0,0,0,0|2,0,1]=4 385 B7R0.4 C#CCOCC(=O)[O-] 34a_100000210247_100020667443 [0,1,0,0,0,0|1,0,2]=4 386 B7R0.4 C#CCSCC(=O)N 62a_100000038162_100000747473 [0,1,0,0,0,0|2,0,1]=4 387 B7R0.4 C#CCSCC(=O)[O-] 62a_100000038162_100020667443 [0,1,0,0,0,0|1,0,2]=4 388 B7R0.4 C=C(C)COCC=O 34a_100000210245_200009817547 [0,1,0,0,0,0|2,0,0]=3 389 B7R0.4 C=C(C)CSCC=O 62a_100000748629_200015260668 [0,1,0,0,0,0|2,0,0]=3 390 B7R0.4 C=C(C)CSCC=O 62a_200015260668_100000211660 [0,1,0,0,0,0|2,0,0]=3 391 B7R0.4 C=C(F)COCC=O 34a_200010262243_200009817547 [0,1,0,0,0,0|2,0,0]=3 392 B7R0.4 C=C(F)CSCC=O 62a_100000042424_200015260668 [0,1,0,0,0,0|2,0,0]=3 393 B7R0.4 C=C(F)CSCC=O 62a_200015260668_100000042424 [0,1,0,0,0,0|2,0,0]=3 394 B7R0.4 C=CCCCC(=O)C 1458a_100000070787_100000757094 [0,1,0,0,0,0|2,0,0]=3 395 B7R0.4 C=CCCCC(=O)C 1458a_100000766728_200000210301 [0,1,0,0,0,0|2,0,0]=3 396 B7R0.4 C=CCCCC(=O)[13CH3] 1458a_100000766728_200025704644 [0,1,0,0,0,0|2,0,0]=3 397 B7R0.4 C=CCCNC(=O)C 11a_100015191253_100015343762 [0,1,0,0,0,0|2,0,0]=3 398 B7R0.4 C=CCCNC(=O)C 1626a_100015191253_100015343762 [0,1,0,0,0,0|2,0,0]=3 399 B7R0.4 C=CCCNC(=O)C 240690a_100015191253_100015343762 [0,1,0,0,0,0|2,0,0]=3 400 B7R0.4 C=CCCNC(=O)C 527a_100015191253_100103153847 [0,1,0,0,0,0|2,0,0]=3 401 B7R0.4 C=CCNCC(=C)C 2230a_100020586998_100000748629 [0,1,0,0,0,0|3,0,0]=4 402 B7R0.4 C=CCNCC(=C)F 2230a_100020586998_100009893438 [0,1,0,0,0,0|3,0,0]=4 403 B7R0.4 C=CCNCC(=O)N 2230a_100000711301_100000210623 [0,1,0,0,0,0|2,0,0]=3 404 B7R0.4 C=CCNCC(=O)N 2230a_100020586998_100000747473 [0,1,0,0,0,0|2,0,0]=3 405 B7R0.4 C=CCNCC(=O)O 269956a_100016091260_100000210623 [0,1,0,0,0,0|1,0,0]=2 406 B7R0.4 C=CCNCC(C)O 2230a_100000210904_100000210623 [0,1,0,0,0,0|2,0,1]=4 407 B7R0.4 C=CCNCC(C)O 2230a_100020586998_100011218427 [0,1,0,0,0,0|2,0,1]=4 408 B7R0.4 C=CCNCC(C)O 34a_100000210904_100015514636 [0,1,0,0,0,0|2,0,1]=4 409 B7R0.4 C=CCNC[C@@H](C)O 2230a_100020586998_100009817552 [0,1,0,0,0,0|2,0,1]=4 410 B7R0.4 C=CCNNC(=O)C 22a_100020588587_100000070787 [0,1,0,0,0,0|3,0,0]=4 411 B7R0.4 C=CCOCC(=C)C 34a_100000210245_100015514636 [0,1,0,0,0,0|3,0,0]=4 412 B7R0.4 C=CCOCC(=C)C 34a_200000210373_100000748629 [0,1,0,0,0,0|3,0,0]=4 413 B7R0.4 C=CCOCC(=C)F 34a_200000210373_100009893438 [0,1,0,0,0,0|3,0,0]=4 414 B7R0.4 C=CCOCC(=C)F 34a_200010262243_100015514636 [0,1,0,0,0,0|3,0,0]=4 415 B7R0.4 C=CCOCC(=O)C 34a_100000211253_100015514636 [0,1,0,0,0,0|2,0,0]=3 416 B7R0.4 C=CCOCC(=O)N 34a_200000210373_100000187820 [0,1,0,0,0,0|2,0,0]=3 417 B7R0.4 C=CCOCC(=O)[O-] 34a_200000210373_100020667443 [0,1,0,0,0,0|1,0,1]=3 418 B7R0.4 C=CCOCC(C)O 34a_200000210373_100011218427 [0,1,0,0,0,0|2,0,1]=4 419 B7R0.4 C=CCOC[C@@H](C)O 34a_200000210373_100009817552 [0,1,0,0,0,0|2,0,1]=4 420 B7R0.4 C=CCOC[N+](=O)[O-] 34a_200000210373_100000761209 [0,1,0,0,0,0|2,0,1]=4 421 B7R0.4 C=CCSCC(=C)C 62a_100000210623_100000211660 [0,1,0,0,0,0|3,0,0]=4 422 B7R0.4 C=CCSCC(=C)C 62a_100000748629_100000210623 [0,1,0,0,0,0|3,0,0]=4 423 B7R0.4 C=CCSCC(=C)F 62a_100000042424_100000210623 [0,1,0,0,0,0|3,0,0]=4 424 B7R0.4 C=CCSCC(=C)F 62a_100000210623_100000042424 [0,1,0,0,0,0|3,0,0]=4 425 B7R0.4 C=CCSCC(=O)C 1458a_100000230395_200000210301 [0,1,0,0,0,0|2,0,0]=3 426 B7R0.4 C=CCSCC(=O)N 62a_100000210623_100000747473 [0,1,0,0,0,0|2,0,0]=3 427 B7R0.4 C=CCSCC(=O)N 62a_100000747473_100000210623 [0,1,0,0,0,0|2,0,0]=3 428 B7R0.4 C=CCSCC(=O)[13CH3] 1458a_100000230395_200025704644 [0,1,0,0,0,0|2,0,0]=3 429 B7R0.4 C=CCSCC(=O)[O-] 62a_100000210623_100020667443 [0,1,0,0,0,0|1,0,1]=3 430 B7R0.4 C=CCSCC(=O)[O-] 62a_100020667443_100000210623 [0,1,0,0,0,0|1,0,1]=3 431 B7R0.4 C=CCSCC(C)O 62a_100000210623_100011218427 [0,1,0,0,0,0|2,0,1]=4 432 B7R0.4 C=CCSCC(C)O 62a_100011218427_100000210623 [0,1,0,0,0,0|2,0,1]=4 433 B7R0.4 C=CCSC[C@@H](C)O 62a_100000210623_100009817552 [0,1,0,0,0,0|2,0,1]=4 434 B7R0.4 C=CCSC[C@@H](C)O 62a_100009817552_100000210623 [0,1,0,0,0,0|2,0,1]=4 435 B7R0.4 C=CCSC[N+](=O)[O-] 62a_100000210623_100000761209 [0,1,0,0,0,0|2,0,1]=4 436 B7R0.4 C=COCCC(=O)C 1458a_100000070787_100000039644 [0,1,0,0,0,0|2,0,0]=3 437 B7R0.4 CC(=O)CCCC#N 1458a_100000070787_100000211468 [0,1,0,0,0,0|2,0,1]=4 438 B7R0.4 CC(=O)CCCC#N 1458a_100000075515_200000210301 [0,1,0,0,0,0|2,0,1]=4 439 B7R0.4 CC(=O)CCCCF 1458a_100000070787_100000729493 [0,1,0,0,0,0|2,0,1]=4 440 B7R0.4 CC(=O)CCCCO 1458a_100000070787_100000210776 [0,1,0,0,0,0|1,0,2]=4 441 B7R0.4 CC(=O)CCCCO 1458a_100000695505_200000210301 [0,1,0,0,0,0|1,0,2]=4 442 B7R0.4 CC(=O)CCCO[13CH3] 34a_100000759063_200025704644 [0,1,0,0,0,0|1,0,2]=4 443 B7R0.4 CC(=O)CCCO[13CH3] 7a_100000759063_200025704644 [0,1,0,0,0,0|1,0,2]=4 444 B7R0.4 CC(=O)CCCS[13CH3] 62a_100011215641_200025704644 [0,1,0,0,0,0|1,1,1]=4 445 B7R0.4 CC(=O)CCCS[13CH3] 62a_200025704644_100011215641 [0,1,0,0,0,0|1,1,1]=4 446 B7R0.4 CC(=O)CCN=[N+]=[N-] 1458a_100000688302_200000210301 [0,1,0,0,0,0|3,0,0]=4 447 B7R0.4 CC(=O)CCOCF 34a_100000759926_100015361967 [0,1,0,0,0,0|2,0,1]=4 448 B7R0.4 CC(=O)CCOCF 7a_100000759926_100015361967 [0,1,0,0,0,0|2,0,1]=4 449 B7R0.4 CC(=O)CCSCF 62a_100000053229_100015361967 [0,1,0,0,0,0|2,0,1]=4 450 B7R0.4 CC(=O)CCSCF 62a_100015361967_100000053229 [0,1,0,0,0,0|2,0,1]=4 451 B7R0.4 CC(=O)COCC=O 34a_100000211253_200009817547 [0,1,0,0,0,0|1,0,0]=2 452 B7R0.4 CC(=O)COCCF 34a_100000211253_100011217306 [0,1,0,0,0,0|2,0,1]=4 453 B7R0.4 CC(=O)COCCO 1458a_100000708028_200000210301 [0,1,0,0,0,0|1,0,2]=4 454 B7R0.4 CC(=O)COCCO 34a_100000211253_100000211926 [0,1,0,0,0,0|1,0,2]=4 455 B7R0.4 CC(=O)CSCC#N 1458a_100000150266_200000210301 [0,1,0,0,0,0|2,0,1]=4 456 B7R0.4 CC(=O)NCCC#N 11a_100000720768_100015343762 [0,1,0,0,0,0|2,0,1]=4 457 B7R0.4 CC(=O)NCCC#N 1626a_100000720768_100015343762 [0,1,0,0,0,0|2,0,1]=4 458 B7R0.4 CC(=O)NCCC#N 240690a_100000720768_100015343762 [0,1,0,0,0,0|2,0,1]=4 459 B7R0.4 CC(=O)NCCC#N 527a_100000720768_100103153847 [0,1,0,0,0,0|2,0,1]=4 460 B7R0.4 CC(=O)NCCCF 11a_100015189416_100015343762 [0,1,0,0,0,0|2,0,1]=4 461 B7R0.4 CC(=O)NCCCF 1626a_100015189416_100015343762 [0,1,0,0,0,0|2,0,1]=4 462 B7R0.4 CC(=O)NCCCF 240690a_100015189416_100015343762 [0,1,0,0,0,0|2,0,1]=4 463 B7R0.4 CC(=O)NCCCF 527a_100015189416_100103153847 [0,1,0,0,0,0|2,0,1]=4 464 B7R0.4 CC(=O)NCCCO 240690a_100000182051_100015343762 [0,1,0,0,0,0|1,0,2]=4 465 B7R0.4 CC(=O)NCCCO 527a_100000182051_100103153847 [0,1,0,0,0,0|1,0,2]=4 466 B7R0.4 CC(=O)NCCN[13CH3] 2230a_100000209853_200025704644 [0,1,0,0,0,0|3,0,0]=4 467 B7R0.4 CC(=O)NCCO[13CH3] 34a_100000158858_200025704644 [0,1,0,0,0,0|3,0,0]=4 468 B7R0.4 CC(=O)NCCS[13CH3] 62a_100000189650_200025704644 [0,1,0,0,0,0|3,0,0]=4 469 B7R0.4 CC(=O)NCCS[13CH3] 62a_200025704644_100000189650 [0,1,0,0,0,0|3,0,0]=4 470 B7R0.4 CC(=O)OCCS[13CH3] 62a_100009814007_200025704644 [0,1,0,0,0,0|3,0,0]=4 471 B7R0.4 CC(=O)OCCS[13CH3] 62a_200025704644_100009814007 [0,1,0,0,0,0|3,0,0]=4 472 B7R0.4 CC(Br)COCC=O 34a_100012180447_200009817547 [0,1,0,0,0,0|2,0,1]=4 473 B7R0.4 CC(C)CNCC=O 2230a_100000210953_200015260668 [0,1,0,0,0,0|2,0,1]=4 474 B7R0.4 CC(C)CNCC=O 34a_100000210953_200009817547 [0,1,0,0,0,0|2,0,1]=4 475 B7R0.4 CC(C)COCC=O 34a_100000210257_200009817547 [0,1,0,0,0,0|2,0,1]=4 476 B7R0.4 CC(C)CSCC=O 62a_100000210624_200015260668 [0,1,0,0,0,0|2,0,1]=4 477 B7R0.4 CC(C)CSCC=O 62a_200015260668_100000210760 [0,1,0,0,0,0|2,0,1]=4 478 B7R0.4 CC(F)COCC=O 34a_100015925927_200009817547 [0,1,0,0,0,0|2,0,1]=4 479 B7R0.4 CC(O)CNCC=O 2230a_100000210904_200015260668 [0,1,0,0,0,0|1,0,1]=3 480 B7R0.4 CC(O)CNCC=O 34a_100000210904_200009817547 [0,1,0,0,0,0|1,0,1]=3 481 B7R0.4 CC(O)CSCC=O 62a_100011218427_200015260668 [0,1,0,0,0,0|1,0,1]=3 482 B7R0.4 CC(O)CSCC=O 62a_200015260668_100011218427 [0,1,0,0,0,0|1,0,1]=3 483 B7R0.4 CC/C=C/CC(=O)C 1458a_100016274230_200000210301 [0,1,0,0,0,0|2,0,1]=4 484 B7R0.4 CC/C=C/CC(=O)[13CH3] 1458a_100016274230_200025704644 [0,1,0,0,0,0|2,0,1]=4 485 B7R0.4 CC/C=C\CC(=O)C 1458a_100000070787_100103147603 [0,1,0,0,0,0|2,0,1]=4 486 B7R0.4 CCCCCC(=O)C 1458a_100000070787_100000210326 [0,1,0,0,0,0|2,0,1]=4 487 B7R0.4 CCCCCC(=O)C 1458a_100000212188_200000210301 [0,1,0,0,0,0|2,0,1]=4 488 B7R0.4 CCCCCC(=O)[13CH3] 1458a_100000212188_200025704644 [0,1,0,0,0,0|2,0,1]=4 489 B7R0.4 CCCCNC(=O)C 11a_100000102301_100015343762 [0,1,0,0,0,0|2,0,1]=4 490 B7R0.4 CCCCNC(=O)C 1626a_100000102301_100015343762 [0,1,0,0,0,0|2,0,1]=4 491 B7R0.4 CCCCNC(=O)C 240690a_100000102301_100015343762 [0,1,0,0,0,0|2,0,1]=4 492 B7R0.4 CCCCNC(=O)C 527a_100000102301_100103153847 [0,1,0,0,0,0|2,0,1]=4 493 B7R0.4 CCCNCC(=O)N 2230a_100000711301_100000210303 [0,1,0,0,0,0|2,0,1]=4 494 B7R0.4 CCCNCC(=O)O 269956a_100016091260_100000210207 [0,1,0,0,0,0|1,0,1]=3 495 B7R0.4 CCCOCC(=O)C 1458a_100000745993_200000210301 [0,1,0,0,0,0|2,0,1]=4 496 B7R0.4 CCCOCC(=O)C 34a_100000211253_100000210303 [0,1,0,0,0,0|2,0,1]=4 497 B7R0.4 CCCOCC(=O)N 34a_100000210258_100000187820 [0,1,0,0,0,0|2,0,1]=4 498 B7R0.4 CCCOCC(=O)[13CH3] 1458a_100000745993_200025704644 [0,1,0,0,0,0|2,0,1]=4 499 B7R0.4 CCCOCC(=O)[O-] 34a_100000210258_100020667443 [0,1,0,0,0,0|1,0,2]=4 500 B7R0.4 CCCSCC(=O)C 1458a_100000217233_200000210301 [0,1,0,0,0,0|2,0,1]=4 501 B7R0.4 CCCSCC(=O)N 62a_100000210303_100000747473 [0,1,0,0,0,0|2,0,1]=4 502 B7R0.4 CCCSCC(=O)N 62a_100000747473_100000210303 [0,1,0,0,0,0|2,0,1]=4 503 B7R0.4 CCCSCC(=O)[13CH3] 1458a_100000217233_200025704644 [0,1,0,0,0,0|2,0,1]=4 504 B7R0.4 CCCSCC(=O)[O-] 62a_100000210303_100020667443 [0,1,0,0,0,0|1,0,2]=4 505 B7R0.4 CCCSCC(=O)[O-] 62a_100020667443_100000210303 [0,1,0,0,0,0|1,0,2]=4 506 B7R0.4 CCNCCC(=O)N 2230a_100015525214_100000744528 [0,1,0,0,0,0|2,0,1]=4 507 B7R0.4 CCNOCC(=O)O 269956a_100000106656_100000210202 [0,1,0,0,0,0|2,0,1]=4 508 B7R0.4 CCOCCC(=O)C 1458a_100000070787_100011215890 [0,1,0,0,0,0|2,0,1]=4 509 B7R0.4 CCOCCC(=O)C 1458a_100000749530_200000210301 [0,1,0,0,0,0|2,0,1]=4 510 B7R0.4 CCOCCC(=O)C 34a_100000759926_100000210202 [0,1,0,0,0,0|2,0,1]=4 511 B7R0.4 CCOCCC(=O)C 7a_100000759926_100000210202 [0,1,0,0,0,0|2,0,1]=4 512 B7R0.4 CCOCCC(=O)N 34a_100000757172_100000210202 [0,1,0,0,0,0|2,0,1]=4 513 B7R0.4 CCOCCC(=O)N 34a_100121572206_100000731001 [0,1,0,0,0,0|2,0,1]=4 514 B7R0.4 CCOCCC(=O)N 7a_100000757172_100000210202 [0,1,0,0,0,0|2,0,1]=4 515 B7R0.4 CCOCCC(=O)[13CH3] 1458a_100000749530_200025704644 [0,1,0,0,0,0|2,0,1]=4 516 B7R0.4 CCSCCC(=O)C 1458a_100000070787_100000757381 [0,1,0,0,0,0|2,0,1]=4 517 B7R0.4 CCSCCC(=O)C 1458a_100000230768_200000210301 [0,1,0,0,0,0|2,0,1]=4 518 B7R0.4 CCSCCC(=O)C 62a_100000053229_100000210202 [0,1,0,0,0,0|2,0,1]=4 519 B7R0.4 CCSCCC(=O)C 62a_100000210202_100000053229 [0,1,0,0,0,0|2,0,1]=4 520 B7R0.4 CCSCCC(=O)N 62a_100000210202_100000744528 [0,1,0,0,0,0|2,0,1]=4 521 B7R0.4 CCSCCC(=O)N 62a_100000744528_100000210202 [0,1,0,0,0,0|2,0,1]=4 522 B7R0.4 CCSCCC(=O)[13CH3] 1458a_100000230768_200025704644 [0,1,0,0,0,0|2,0,1]=4 523 B7R0.4 CN(C)CCCC=O 2230a_100102631434_200011292268 [0,1,0,0,0,0|3,0,0]=4 524 B7R0.4 CN(C)CCCC=O 269982a_100102631434_200011292268 [0,1,0,0,0,0|3,0,0]=4 525 B7R0.4 CNCCCC(=O)C 34a_100102657272_100000685027 [0,1,0,0,0,0|2,0,1]=4 526 B7R0.4 CNCCCC(=O)C 7a_106832991635_100011215641 [0,1,0,0,0,0|2,0,1]=4 527 B7R0.4 CNCCCC(=O)N 34a_100000739312_200000210301 [0,1,0,0,0,0|2,0,1]=4 528 B7R0.4 CNCCCC(=O)N 34a_100102657272_100102525003 [0,1,0,0,0,0|2,0,1]=4 529 B7R0.4 CNCCCC(=O)N 7a_106832991635_100102525003 [0,1,0,0,0,0|2,0,1]=4 530 B7R0.4 CNCCNC(=O)C 2230a_100000209853_200000210301 [0,1,0,0,0,0|3,0,0]=4 531 B7R0.4 CNCCNC(=O)C 2230a_106832991635_100000189650 [0,1,0,0,0,0|3,0,0]=4 532 B7R0.4 CNCCNC(=O)C 7a_106832991635_100000189650 [0,1,0,0,0,0|3,0,0]=4 533 B7R0.4 CNCCNC(=O)N 2230a_106832991635_200000034859 [0,1,0,0,0,0|3,0,0]=4 534 B7R0.4 CNCCNC(=O)N 34a_100020590234_200000210301 [0,1,0,0,0,0|3,0,0]=4 535 B7R0.4 CNCCNC(=O)N 7a_106832991635_200000034859 [0,1,0,0,0,0|3,0,0]=4 536 B7R0.4 CNCCOC(=O)C 34a_100102657272_100009814007 [0,1,0,0,0,0|3,0,0]=4 537 B7R0.4 CNCCOC(=O)C 7a_106832991635_100009814007 [0,1,0,0,0,0|3,0,0]=4 538 B7R0.4 CNCCOC(=O)N 34a_100102657272_200011214921 [0,1,0,0,0,0|3,0,0]=4 539 B7R0.4 CNCCOC(=O)N 7a_106832991635_200011214921 [0,1,0,0,0,0|3,0,0]=4 540 B7R0.4 COCCCC(=O)C 1458a_100000070787_100000740836 [0,1,0,0,0,0|1,0,2]=4 541 B7R0.4 COCCCC(=O)C 1458a_100000741012_200000210301 [0,1,0,0,0,0|1,0,2]=4 542 B7R0.4 COCCCC(=O)C 34a_100000759063_200000210301 [0,1,0,0,0,0|1,0,2]=4 543 B7R0.4 COCCCC(=O)C 34a_100138415774_100000685027 [0,1,0,0,0,0|1,0,2]=4 544 B7R0.4 COCCCC(=O)C 7a_100000759063_200000210301 [0,1,0,0,0,0|1,0,2]=4 545 B7R0.4 COCCCC(=O)N 34a_100138415774_100102525003 [0,1,0,0,0,0|1,0,2]=4 546 B7R0.4 COCCCC(=O)[13CH3] 1458a_100000741012_200025704644 [0,1,0,0,0,0|1,0,2]=4 547 B7R0.4 COCCNC(=O)C 1626a_100000209980_100015343762 [0,1,0,0,0,0|3,0,0]=4 548 B7R0.4 COCCNC(=O)C 240690a_100000209980_100015343762 [0,1,0,0,0,0|3,0,0]=4 549 B7R0.4 COCCNC(=O)C 34a_100000158858_200000210301 [0,1,0,0,0,0|3,0,0]=4 550 B7R0.4 COCCNC(=O)C 527a_100000209980_100103153847 [0,1,0,0,0,0|3,0,0]=4 551 B7R0.4 COCCNC(=O)N 34a_100000181757_200000210301 [0,1,0,0,0,0|3,0,0]=4 552 B7R0.4 COCCOC(=O)C 34a_100138415774_100009814007 [0,1,0,0,0,0|3,0,0]=4 553 B7R0.4 COCCOC(=O)N 34a_100138415774_200011214921 [0,1,0,0,0,0|3,0,0]=4 554 B7R0.4 COCCOC(=O)N 7a_100000766696_200000210301 [0,1,0,0,0,0|3,0,0]=4 555 B7R0.4 COCNCC(=O)N 2230a_100000711301_100000766300 [0,1,0,0,0,0|3,0,0]=4 556 B7R0.4 COCNCC(=O)O 269956a_100016091260_100000766300 [0,1,0,0,0,0|2,0,0]=3 557 B7R0.4 COCSCC(=O)N 62a_100000747473_100000766300 [0,1,0,0,0,0|3,0,0]=4 558 B7R0.4 COCSCC(=O)N 62a_100000766300_100000747473 [0,1,0,0,0,0|3,0,0]=4 559 B7R0.4 COCSCC(=O)[O-] 62a_100000766300_100020667443 [0,1,0,0,0,0|2,0,1]=4 560 B7R0.4 COCSCC(=O)[O-] 62a_100020667443_100000766300 [0,1,0,0,0,0|2,0,1]=4 561 B7R0.4 CSCCCC(=O)C 1458a_100000173376_200000210301 [0,1,0,0,0,0|1,1,1]=4 562 B7R0.4 CSCCCC(=O)C 62a_100011215641_200000210301 [0,1,0,0,0,0|1,1,1]=4 563 B7R0.4 CSCCCC(=O)C 62a_200000210301_100011215641 [0,1,0,0,0,0|1,1,1]=4 564 B7R0.4 CSCCCC(=O)N 62a_100102525003_200000210301 [0,1,0,0,0,0|1,1,1]=4 565 B7R0.4 CSCCCC(=O)N 62a_200000210301_100102525003 [0,1,0,0,0,0|1,1,1]=4 566 B7R0.4 CSCCCC(=O)[13CH3] 1458a_100000173376_200025704644 [0,1,0,0,0,0|1,1,1]=4 567 B7R0.4 CSCCNC(=O)C 11a_100020590264_100015343762 [0,1,0,0,0,0|3,0,0]=4 568 B7R0.4 CSCCNC(=O)C 1626a_100020590264_100015343762 [0,1,0,0,0,0|3,0,0]=4 569 B7R0.4 CSCCNC(=O)C 240690a_100020590264_100015343762 [0,1,0,0,0,0|3,0,0]=4 570 B7R0.4 CSCCNC(=O)C 527a_100020590264_100103153847 [0,1,0,0,0,0|3,0,0]=4 571 B7R0.4 CSCCNC(=O)C 62a_100000189650_200000210301 [0,1,0,0,0,0|3,0,0]=4 572 B7R0.4 CSCCNC(=O)C 62a_200000210301_100000189650 [0,1,0,0,0,0|3,0,0]=4 573 B7R0.4 CSCCNC(=O)N 62a_200000034859_200000210301 [0,1,0,0,0,0|3,0,0]=4 574 B7R0.4 CSCCNC(=O)N 62a_200000210301_200000034859 [0,1,0,0,0,0|3,0,0]=4 575 B7R0.4 CSCCOC(=O)C 62a_100009814007_200000210301 [0,1,0,0,0,0|3,0,0]=4 576 B7R0.4 CSCCOC(=O)C 62a_200000210301_100009814007 [0,1,0,0,0,0|3,0,0]=4 577 B7R0.4 CSCCOC(=O)N 62a_200000210301_200011214921 [0,1,0,0,0,0|3,0,0]=4 578 B7R0.4 CSCCOC(=O)N 62a_200011214921_200000210301 [0,1,0,0,0,0|3,0,0]=4 579 B7R0.4 CSCNCC(=O)N 2230a_100000711301_100011218213 [0,1,0,0,0,0|3,0,0]=4 580 B7R0.4 CSCNCC(=O)O 269956a_100016091260_100011218213 [0,1,0,0,0,0|2,0,0]=3 581 B7R0.4 CSCOCC(=O)C 34a_100000211253_100011218213 [0,1,0,0,0,0|3,0,0]=4 582 B7R0.4 CSCSCC(=O)N 62a_100000747473_100011218213 [0,1,0,0,0,0|3,0,0]=4 583 B7R0.4 CSCSCC(=O)N 62a_100011218213_100000747473 [0,1,0,0,0,0|3,0,0]=4 584 B7R0.4 CSCSCC(=O)[O-] 62a_100011218213_100020667443 [0,1,0,0,0,0|2,0,1]=4 585 B7R0.4 CSCSCC(=O)[O-] 62a_100020667443_100011218213 [0,1,0,0,0,0|2,0,1]=4 586 B7R0.4 C[C@@H](Cl)COCC=O 34a_100016084084_200009817547 [0,1,0,0,0,0|2,0,1]=4 587 B7R0.4 C[C@@H](N)COCC=O 34a_100000737577_200009817547 [0,1,0,0,0,0|2,0,1]=4 588 B7R0.4 C[C@@H](O)CSCC=O 62a_100009817552_200015260668 [0,1,0,0,0,0|1,0,1]=3 589 B7R0.4 C[C@@H](O)CSCC=O 62a_200015260668_100009817552 [0,1,0,0,0,0|1,0,1]=3 590 B7R0.4 N#CCNCC(=O)N 2230a_100000711301_100011215382 [0,1,0,0,0,0|2,0,1]=4 591 B7R0.4 N#CCNCC(=O)O 269956a_100016091260_100011215382 [0,1,0,0,0,0|1,0,1]=3 592 B7R0.4 N#CCSCC(=O)N 62a_100000747473_100011215382 [0,1,0,0,0,0|2,0,1]=4 593 B7R0.4 N#CCSCC(=O)N 62a_100011215382_100000747473 [0,1,0,0,0,0|2,0,1]=4 594 B7R0.4 N#CCSCC(=O)[O-] 62a_100011215382_100020667443 [0,1,0,0,0,0|1,0,2]=4 595 B7R0.4 N#CCSCC(=O)[O-] 62a_100020667443_100011215382 [0,1,0,0,0,0|1,0,2]=4 596 B7R0.4 NC(=O)CCOCF 34a_100000757172_100015361967 [0,1,0,0,0,0|2,0,1]=4 597 B7R0.4 NC(=O)CCOCF 7a_100000757172_100015361967 [0,1,0,0,0,0|2,0,1]=4 598 B7R0.4 NC(=O)CCSCF 62a_100000744528_100015361967 [0,1,0,0,0,0|2,0,1]=4 599 B7R0.4 NC(=O)CCSCF 62a_100015361967_100000744528 [0,1,0,0,0,0|2,0,1]=4 600 B7R0.4 NC(=O)CNCC=O 2230a_100000711301_200015260668 [0,1,0,0,0,0|1,0,0]=2 601 B7R0.4 NC(=O)CNCCF 2230a_100000711301_100011217306 [0,1,0,0,0,0|2,0,1]=4 602 B7R0.4 NC(=O)CNCCF 34a_100000724931_100000187820 [0,1,0,0,0,0|2,0,1]=4 603 B7R0.4 NC(=O)CNCCO 2230a_100000711301_100000211926 [0,1,0,0,0,0|1,0,2]=4 604 B7R0.4 NC(=O)CNCCO 2230a_100016997473_100000747473 [0,1,0,0,0,0|1,0,2]=4 605 B7R0.4 NC(=O)CNCCO 34a_100016990907_100000187820 [0,1,0,0,0,0|1,0,2]=4 606 B7R0.4 NC(=O)COCCBr 34a_100000211926_100000187820 [0,1,0,0,0,0|2,0,1]=4 607 B7R0.4 NC(=O)CSCC=O 62a_100000747473_200015260668 [0,1,0,0,0,0|1,0,0]=2 608 B7R0.4 NC(=O)CSCC=O 62a_200015260668_100000747473 [0,1,0,0,0,0|1,0,0]=2 609 B7R0.4 NC(=O)CSCCF 62a_100000747473_100011217306 [0,1,0,0,0,0|2,0,1]=4 610 B7R0.4 NC(=O)CSCCF 62a_100011217306_100000747473 [0,1,0,0,0,0|2,0,1]=4 611 B7R0.4 NC(=O)CSCCO 62a_100000211926_100000747473 [0,1,0,0,0,0|1,0,2]=4 612 B7R0.4 NC(=O)CSCCO 62a_100000747473_100000211926 [0,1,0,0,0,0|1,0,2]=4 613 B7R0.4 NCCOCC(=O)N 34a_100000210304_100000187820 [0,1,0,0,0,0|2,0,1]=4 614 B7R0.4 NCCOCC(=O)[O-] 34a_100000210304_100020667443 [0,1,0,0,0,0|1,0,2]=4 615 B7R0.4 O=C(O)CNCCF 269956a_100016091260_100011217306 [0,1,0,0,0,0|1,0,1]=3 616 B7R0.4 O=C(O)CNCCO 269956a_100016091260_100000211926 [0,1,0,0,0,0|0,0,2]=3 617 B7R0.4 O=C(O)CONCF 269956a_100000106656_100015361967 [0,1,0,0,0,0|2,0,1]=4 618 B7R0.4 O=C([O-])CNCCF 34a_100000724931_100020667443 [0,1,0,0,0,0|1,0,2]=4 619 B7R0.4 O=C([O-])CNCCO 34a_100016990907_100020667443 [0,1,0,0,0,0|0,0,3]=4 620 B7R0.4 O=C([O-])COCCBr 34a_100000211926_100020667443 [0,1,0,0,0,0|1,0,2]=4 621 B7R0.4 O=C([O-])CSCCF 62a_100011217306_100020667443 [0,1,0,0,0,0|1,0,2]=4 622 B7R0.4 O=C([O-])CSCCF 62a_100020667443_100011217306 [0,1,0,0,0,0|1,0,2]=4 623 B7R0.4 O=C([O-])CSCCO 62a_100000211926_100020667443 [0,1,0,0,0,0|0,0,3]=4 624 B7R0.4 O=C([O-])CSCCO 62a_100020667443_100000211926 [0,1,0,0,0,0|0,0,3]=4 625 B7R0.4 O=CCNCC(=O)O 269956a_100016091260_200015260668 [0,1,0,0,0,0|0,0,0]=1 626 B7R0.4 O=CCNCC(F)F 34a_100000765723_200009817547 [0,1,0,0,0,0|2,0,1]=4 627 B7R0.4 O=CCOCC(F)F 34a_100000743014_200009817547 [0,1,0,0,0,0|2,0,1]=4 628 B7R0.4 O=CCSCC(=O)[O-] 62a_100020667443_200015260668 [0,1,0,0,0,0|0,0,1]=2 629 B7R0.4 O=CCSCC(=O)[O-] 62a_200015260668_100020667443 [0,1,0,0,0,0|0,0,1]=2 630 B7R0.4 O=CCSCC(F)F 62a_100011934356_200015260668 [0,1,0,0,0,0|2,0,1]=4 631 B7R0.4 O=CCSCC(F)F 62a_200015260668_100011934356 [0,1,0,0,0,0|2,0,1]=4 632 B7R0.4 O=CCSC[N+](=O)[O-] 62a_200015260668_100000761209 [0,1,0,0,0,0|1,0,1]=3 633 B7R0.4 [13CH3]C(=O)CCCC#N 1458a_100000075515_200025704644 [0,1,0,0,0,0|2,0,1]=4 634 B7R0.4 [13CH3]C(=O)CCCCO 1458a_100000695505_200025704644 [0,1,0,0,0,0|1,0,2]=4 635 B7R0.4 [13CH3]C(=O)CCN=[N+]=[N-] 1458a_100000688302_200025704644 [0,1,0,0,0,0|3,0,0]=4 636 B7R0.4 [13CH3]C(=O)COCCO 1458a_100000708028_200025704644 [0,1,0,0,0,0|1,0,2]=4 637 B7R0.4 [13CH3]C(=O)CSCC#N 1458a_100000150266_200025704644 [0,1,0,0,0,0|2,0,1]=4 638 B7R0.4 [13CH3]NCCCC(=O)N 34a_100000739312_200025704644 [0,1,0,0,0,0|2,0,1]=4 639 B7R0.4 [13CH3]NCCNC(=O)N 34a_100020590234_200025704644 [0,1,0,0,0,0|3,0,0]=4 640 B7R0.4 [13CH3]OCCNC(=O)N 34a_100000181757_200025704644 [0,1,0,0,0,0|3,0,0]=4 641 B7R0.4 [13CH3]OCCOC(=O)N 7a_100000766696_200025704644 [0,1,0,0,0,0|3,0,0]=4 642 B7R0.4 [13CH3]SCCCC(=O)N 62a_100102525003_200025704644 [0,1,0,0,0,0|1,1,1]=4 643 B7R0.4 [13CH3]SCCCC(=O)N 62a_200025704644_100102525003 [0,1,0,0,0,0|1,1,1]=4 644 B7R0.4 [13CH3]SCCNC(=O)N 62a_200000034859_200025704644 [0,1,0,0,0,0|3,0,0]=4 645 B7R0.4 [13CH3]SCCNC(=O)N 62a_200025704644_200000034859 [0,1,0,0,0,0|3,0,0]=4 646 B7R0.4 [13CH3]SCCOC(=O)N 62a_200011214921_200025704644 [0,1,0,0,0,0|3,0,0]=4 647 B7R0.4 [13CH3]SCCOC(=O)N 62a_200025704644_200011214921 [0,1,0,0,0,0|3,0,0]=4 648 B7R0.5 C=CCC(C)C(=O)C 1458a_100011216819_200000210301 [0,1,0,0,0,0|2,0,0]=3 649 B7R0.5 C=CCC(C)C(=O)[13CH3] 1458a_100011216819_200025704644 [0,1,0,0,0,0|2,0,0]=3 650 B7R0.5 C=CCN(C)C(=O)C 11a_100000225617_100015343762 [0,1,0,0,0,0|3,0,0]=4 651 B7R0.5 C=CCN(C)C(=O)C 1626a_100000225617_100015343762 [0,1,0,0,0,0|3,0,0]=4 652 B7R0.5 C=CCN(C)C(=O)C 240690a_100000225617_100015343762 [0,1,0,0,0,0|3,0,0]=4 653 B7R0.5 C=CCN(C)C(=O)C 527a_100000225617_100103153847 [0,1,0,0,0,0|3,0,0]=4 654 B7R0.5 CC(=O)C(C)CC#N 1458a_100000070787_100009813641 [0,1,0,0,0,0|2,0,1]=4 655 B7R0.5 CC(=O)C(C)CCO 1458a_100000070787_100009893172 [0,1,0,0,0,0|1,0,2]=4 656 B7R0.5 CC(=O)C(C)CO[13CH3] 34a_100000032740_200025704644 [0,1,0,0,0,0|3,0,0]=4 657 B7R0.5 CC(=O)C(C)CO[13CH3] 7a_100000032740_200025704644 [0,1,0,0,0,0|3,0,0]=4 658 B7R0.5 CC(CN[13CH3])C(=O)O 269956a_100000749485_200025704644 [0,1,0,0,0,0|2,0,0]=3 659 B7R0.5 CCCC(C)C(=O)C 1458a_100000070787_100000766640 [0,1,0,0,0,0|2,0,1]=4 660 B7R0.5 CCCC(C)C(=O)C 1458a_100000210906_200000210301 [0,1,0,0,0,0|2,0,1]=4 661 B7R0.5 CCCC(C)C(=O)[13CH3] 1458a_100000210906_200025704644 [0,1,0,0,0,0|2,0,1]=4 662 B7R0.5 CCC[C@H](O)C(=O)C 1458a_100009822183_200000210301 [0,1,0,0,0,0|2,0,1]=4 663 B7R0.5 CCC[C@H](O)C(=O)[13CH3] 1458a_100009822183_200025704644 [0,1,0,0,0,0|2,0,1]=4 664 B7R0.5 CCN[C@@H](C)C(=O)O 269956a_100000743915_100000210202 [0,1,0,0,0,0|2,0,1]=4 665 B7R0.5 CNCC(C)C(=O)O 269956a_100000749485_200000210301 [0,1,0,0,0,0|2,0,0]=3 666 B7R0.5 CNCC(F)C(=O)O 269956a_100000084737_200000210301 [0,1,0,0,0,0|2,0,0]=3 667 B7R0.5 COCC(C)C(=O)C 1458a_100000070787_100000765312 [0,1,0,0,0,0|3,0,0]=4 668 B7R0.5 COCC(C)C(=O)C 1458a_100000751857_200000210301 [0,1,0,0,0,0|3,0,0]=4 669 B7R0.5 COCC(C)C(=O)C 34a_100000032740_200000210301 [0,1,0,0,0,0|3,0,0]=4 670 B7R0.5 COCC(C)C(=O)C 7a_100000032740_200000210301 [0,1,0,0,0,0|3,0,0]=4 671 B7R0.5 COCC(C)C(=O)[13CH3] 1458a_100000751857_200025704644 [0,1,0,0,0,0|3,0,0]=4 672 B7R0.5 COC[C@H](N)C(=O)N 34a_100000729942_200000210301 [0,1,0,0,0,0|3,0,0]=4 673 B7R0.5 CSCC(C)C(=O)C 1458a_100000753918_200000210301 [0,1,0,0,0,0|3,0,0]=4 674 B7R0.5 CSCC(C)C(=O)[13CH3] 1458a_100000753918_200025704644 [0,1,0,0,0,0|3,0,0]=4 675 B7R0.5 C[C@H](NCF)C(=O)O 269956a_100000743915_100015361967 [0,1,0,0,0,0|2,0,1]=4 676 B7R0.5 [13CH3]NCC(F)C(=O)O 269956a_100000084737_200025704644 [0,1,0,0,0,0|2,0,0]=3 677 B7R0.5 [13CH3]OC[C@H](N)C(=O)N 34a_100000729942_200025704644 [0,1,0,0,0,0|3,0,0]=4 678 B7R0.6 C=C(C)CCC(=O)C 1458a_100000070787_100000730704 [0,1,0,0,0,0|2,0,0]=3 679 B7R0.6 C=C(C)CCC(=O)C 1458a_200000688413_200000210301 [0,1,0,0,0,0|2,0,0]=3 680 B7R0.6 C=C(C)CCC(=O)[13CH3] 1458a_200000688413_200025704644 [0,1,0,0,0,0|2,0,0]=3 681 B7R0.6 C=C(C)CNC(=O)C 11a_100000765925_100015343762 [0,1,0,0,0,0|3,0,0]=4 682 B7R0.6 C=C(C)CNC(=O)C 1626a_100000765925_100015343762 [0,1,0,0,0,0|3,0,0]=4 683 B7R0.6 C=C(C)CNC(=O)C 240690a_100000765925_100015343762 [0,1,0,0,0,0|3,0,0]=4 684 B7R0.6 C=C(C)CNC(=O)C 527a_100000765925_100103153847 [0,1,0,0,0,0|3,0,0]=4 685 B7R0.6 CC(=CCC(=O)[13CH3])C 1458a_100011220947_200025704644 [0,1,0,0,0,0|2,0,1]=4 686 B7R0.6 CC(=O)CC=C(C)C 1458a_100000070787_100000761012 [0,1,0,0,0,0|2,0,1]=4 687 B7R0.6 CC(=O)CC=C(C)C 1458a_100011220947_200000210301 [0,1,0,0,0,0|2,0,1]=4 688 B7R0.6 CC(=O)CCC(=O)N 1458a_100011215257_200000210301 [0,1,0,0,0,0|1,0,0]=2 689 B7R0.6 CC(=O)CCC(C)C 1458a_100000070787_100000210312 [0,1,0,0,0,0|2,0,1]=4 690 B7R0.6 CC(=O)CCC(C)C 1458a_100000181311_200000210301 [0,1,0,0,0,0|2,0,1]=4 691 B7R0.6 CC(=O)CCC(C)O 1458a_100000070787_100012276601 [0,1,0,0,0,0|1,0,1]=3 692 B7R0.6 CC(=O)CCN(C)C 269982a_100102631434_100000053229 [0,1,0,0,0,0|3,0,0]=4 693 B7R0.6 CC(=O)CC[N+](=O)[O-] 1458a_200000064761_200000210301 [0,1,0,0,0,0|1,0,1]=3 694 B7R0.6 CC(=O)CC[S+](C)C 1458a_100009452791_200000210301 [0,1,0,0,0,0|3,0,0]=4 695 B7R0.6 CC(=O)CNC(=O)C 1458a_100000194580_200000210301 [0,1,0,0,0,0|2,0,0]=3 696 B7R0.6 CC(=O)CNC(=O)N 1458a_100000184981_200000210301 [0,1,0,0,0,0|2,0,0]=3 697 B7R0.6 CC(=O)COC(=O)C 1458a_100000183556_200000210301 [0,1,0,0,0,0|2,0,0]=3 698 B7R0.6 CC(=O)CSC(=O)C 1458a_100000049016_200000210301 [0,1,0,0,0,0|2,0,0]=3 699 B7R0.6 CC(=O)NCC(=O)N 11a_100000711301_100015343762 [0,1,0,0,0,0|2,0,0]=3 700 B7R0.6 CC(=O)NCC(=O)N 240690a_100000711301_100015343762 [0,1,0,0,0,0|2,0,0]=3 701 B7R0.6 CC(=O)NCC(=O)N 527a_100000711301_100103153847 [0,1,0,0,0,0|2,0,0]=3 702 B7R0.6 CC(=O)NCC(=O)[13CH3] 1458a_100000194580_200025704644 [0,1,0,0,0,0|2,0,0]=3 703 B7R0.6 CC(=O)NCC(C)O 11a_100000210904_100015343762 [0,1,0,0,0,0|2,0,1]=4 704 B7R0.6 CC(=O)NCC(C)O 240690a_100000210904_100015343762 [0,1,0,0,0,0|2,0,1]=4 705 B7R0.6 CC(=O)NCC(C)O 527a_100000210904_100103153847 [0,1,0,0,0,0|2,0,1]=4 706 B7R0.6 CC(=O)NNC(=O)C 22a_100000189765_100000070787 [0,1,0,0,0,0|3,0,0]=4 707 B7R0.6 CC(=O)OCC(=O)[13CH3] 1458a_100000183556_200025704644 [0,1,0,0,0,0|2,0,0]=3 708 B7R0.6 CC(=O)SCC(=O)[13CH3] 1458a_100000049016_200025704644 [0,1,0,0,0,0|2,0,0]=3 709 B7R0.6 CC(C)CCC(=O)[13CH3] 1458a_100000181311_200025704644 [0,1,0,0,0,0|2,0,1]=4 710 B7R0.6 CC(C)NCC(=O)O 269956a_100016091260_100000210206 [0,1,0,0,0,0|2,0,1]=4 711 B7R0.6 CN(C)CCC(=O)N 2230a_100000730477_200000210301 [0,1,0,0,0,0|3,0,0]=4 712 B7R0.6 CN(C)CCC(=O)N 2230a_100102631434_100000744528 [0,1,0,0,0,0|3,0,0]=4 713 B7R0.6 CN(C)CCC(=O)N 269982a_100102631434_100000744528 [0,1,0,0,0,0|3,0,0]=4 714 B7R0.6 CN([13CH3])CCC(=O)N 2230a_100000730477_200025704644 [0,1,0,0,0,0|3,0,0]=4 715 B7R0.6 C[S+](C)CCC(=O)[13CH3] 1458a_100009452791_200025704644 [0,1,0,0,0,0|3,0,0]=4 716 B7R0.6 [13CH3]C(=O)CCC(=O)N 1458a_100011215257_200025704644 [0,1,0,0,0,0|1,0,0]=2 717 B7R0.6 [13CH3]C(=O)CC[N+](=O)[O-] 1458a_200000064761_200025704644 [0,1,0,0,0,0|1,0,1]=3 718 B7R0.6 [13CH3]C(=O)CNC(=O)N 1458a_100000184981_200025704644 [0,1,0,0,0,0|2,0,0]=3 719 B7R1.10 CSC1CC(=O)C1 62a_100009894365_200000210301 [0,0,0,1,0,0|3,0,0]=4 720 B7R1.10 [13CH3]SC1CC(=O)C1 62a_100009894365_200025704644 [0,0,0,1,0,0|3,0,0]=4 721 B7R1.12 CC(=O)C1CC1C 1458a_100000211227_200000210301 [0,0,0,1,0,0|2,0,1]=4 722 B7R1.12 CC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_200000210301 [0,0,0,1,0,0|2,0,1]=4 723 B7R1.12 CC1CC1C(=O)[13CH3] 1458a_100000211227_200025704644 [0,0,0,1,0,0|2,0,1]=4 724 B7R1.12 [13CH3]C(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_200025704644 [0,0,0,1,0,0|2,0,1]=4 725 B7R1.18 CC(=O)C1CCC1 1458a_100000070787_100000749161 [0,0,0,1,0,0|2,0,1]=4 726 B7R1.18 CC(=O)C1CCC1 1458a_100000209988_200000210301 [0,0,0,1,0,0|2,0,1]=4 727 B7R1.18 CC(=O)C1CCO1 1458a_100000089072_200000210301 [0,0,0,1,0,0|1,0,2]=4 728 B7R1.18 CC(=O)C1COC1 1458a_100000070787_100000687716 [0,0,0,1,0,0|3,0,0]=4 729 B7R1.18 CC(=O)C1COC1 1458a_100000758290_200000210301 [0,0,0,1,0,0|3,0,0]=4 730 B7R1.18 [13CH3]C(=O)C1CCC1 1458a_100000209988_200025704644 [0,0,0,1,0,0|2,0,1]=4 731 B7R1.18 [13CH3]C(=O)C1CCO1 1458a_100000089072_200025704644 [0,0,0,1,0,0|1,0,2]=4 732 B7R1.18 [13CH3]C(=O)C1COC1 1458a_100000758290_200025704644 [0,0,0,1,0,0|3,0,0]=4 733 B7R1.20 CC(=O)CC1CC1 1458a_100000070787_100000742324 [0,0,0,1,0,0|2,0,1]=4 734 B7R1.20 CC(=O)CC1CC1 1458a_100000738066_200000210301 [0,0,0,1,0,0|2,0,1]=4 735 B7R1.20 CC(=O)CC1CO1 1458a_100000070787_100011216344 [0,0,0,1,0,0|1,0,2]=4 736 B7R1.20 CC(=O)CC1CS1 1458a_100000070787_100000031435 [0,0,0,1,0,0|1,1,1]=4 737 B7R1.20 CC(=O)C[C@@H]1CO1 1458a_100000070787_100000745022 [0,0,0,1,0,0|1,0,2]=4 738 B7R1.20 [13CH3]C(=O)CC1CC1 1458a_100000738066_200025704644 [0,0,0,1,0,0|2,0,1]=4 739 B4R0.1 C=CC(=O)C 1458a_100000185746_200000210301 [2,0,0,0,0,0|1,0,1]=4 740 B4R0.1 C=CC(=O)[13CH3] 1458a_100000185746_200025704644 [2,0,0,0,0,0|1,0,1]=4 741 B4R0.1 CC(=O)CF 1458a_100000070787_100015361967 [2,0,0,0,0,0|2,0,0]=4 742 B4R0.1 CC(=O)CO 1458a_100000210174_200000210301 [2,0,0,0,0,0|1,0,1]=4 743 B4R0.1 CCC(=O)C 1458a_100000070787_100000210202 [2,0,0,0,0,0|1,0,0]=3 744 B4R0.1 CCC(=O)C 1458a_100000210414_200000210301 [2,0,0,0,0,0|1,0,0]=3 745 B4R0.1 CCC(=O)[13CH3] 1458a_100000210414_200025704644 [2,0,0,0,0,0|1,0,0]=3 746 B4R0.1 CNC(=O)C 11a_106832991635_100015343762 [2,0,0,0,0,0|2,0,0]=4 747 B4R0.1 CNC(=O)C 1626a_100102657272_100015343762 [2,0,0,0,0,0|2,0,0]=4 748 B4R0.1 CNC(=O)C 240690a_100102657272_100015343762 [2,0,0,0,0,0|2,0,0]=4 749 B4R0.1 CNC(=O)C 527a_100102657272_100103153847 [2,0,0,0,0,0|2,0,0]=4 750 B4R0.1 [13CH3]C(=O)CO 1458a_100000210174_200025704644 [2,0,0,0,0,0|1,0,1]=4 751 B4R0.2 CNCC=O 2230a_106832991635_200015260668 [2,0,0,0,0,0|1,0,1]=4 752 B4R0.2 CNCC=O 34a_100102657272_200009817547 [2,0,0,0,0,0|1,0,1]=4 753 B4R0.2 CNCC=O 7a_106832991635_200015260668 [2,0,0,0,0,0|1,0,1]=4 754 B4R0.2 CNCCO 2230a_100016997473_200000210301 [2,0,0,0,0,0|2,0,0]=4 755 B4R0.2 CNCCO 2230a_106832991635_100000211926 [2,0,0,0,0,0|2,0,0]=4 756 B4R0.2 CNCCO 34a_100016990907_200000210301 [2,0,0,0,0,0|2,0,0]=4 757 B4R0.2 CNCCO 34a_100102657272_100000211926 [2,0,0,0,0,0|2,0,0]=4 758 B4R0.2 CNCCO 7a_106832991635_100000211926 [2,0,0,0,0,0|2,0,0]=4 759 B4R0.2 COCC=O 34a_100138415774_200009817547 [2,0,0,0,0,0|1,0,1]=4 760 B4R0.2 COCCO 34a_100138415774_100000211926 [2,0,0,0,0,0|2,0,0]=4 761 B4R0.2 CSCC=O 62a_200000210301_200015260668 [2,0,0,0,0,0|1,0,1]=4 762 B4R0.2 CSCC=O 62a_200015260668_200000210301 [2,0,0,0,0,0|1,0,1]=4 763 B4R0.2 CSCCO 62a_100000211926_200000210301 [2,0,0,0,0,0|2,0,0]=4 764 B4R0.2 CSCCO 62a_200000210301_100000211926 [2,0,0,0,0,0|2,0,0]=4 765 B4R0.2 [13CH3]NCCO 2230a_100016997473_200025704644 [2,0,0,0,0,0|2,0,0]=4 766 B4R0.2 [13CH3]NCCO 34a_100016990907_200025704644 [2,0,0,0,0,0|2,0,0]=4 767 B4R0.2 [13CH3]SCC=O 62a_200015260668_200025704644 [2,0,0,0,0,0|1,0,1]=4 768 B4R0.2 [13CH3]SCC=O 62a_200025704644_200015260668 [2,0,0,0,0,0|1,0,1]=4 769 B4R0.2 [13CH3]SCCO 62a_100000211926_200025704644 [2,0,0,0,0,0|2,0,0]=4 770 B4R0.2 [13CH3]SCCO 62a_200025704644_100000211926 [2,0,0,0,0,0|2,0,0]=4 771 B6R0.1 C#CC(=O)CC=C 1458a_100000211873_100000210623 [1,1,0,0,0,0|1,0,1]=4 772 B6R0.1 C#CC(=O)CCC 1458a_100000211873_100000210303 [1,1,0,0,0,0|1,0,1]=4 773 B6R0.1 C#CC(=O)CCF 1458a_100000211873_100011217306 [1,1,0,0,0,0|2,0,0]=4 774 B6R0.1 C#CC(=O)CCO 1458a_100000211873_100000211926 [1,1,0,0,0,0|1,0,1]=4 775 B6R0.1 C#CCC(=O)CO 1458a_100000210174_100000184674 [1,1,0,0,0,0|0,0,2]=4 776 B6R0.1 C=CC(=O)CCC 1458a_100000185746_100000210303 [1,1,0,0,0,0|1,0,1]=4 777 B6R0.1 C=CC(=O)CCF 1458a_100000185746_100011217306 [1,1,0,0,0,0|2,0,0]=4 778 B6R0.1 C=CC(=O)CCO 1458a_100000185746_100000211926 [1,1,0,0,0,0|1,0,1]=4 779 B6R0.1 C=CCC(=O)C=C 1458a_100000185746_100000210623 [1,1,0,0,0,0|1,0,1]=4 780 B6R0.1 C=CCC(=O)CC 1458a_100000210193_100000210202 [1,1,0,0,0,0|1,0,1]=4 781 B6R0.1 C=CCC(=O)CC 1458a_100000210414_100000210623 [1,1,0,0,0,0|1,0,1]=4 782 B6R0.1 C=CCC(=O)CF 1458a_100000210193_100015361967 [1,1,0,0,0,0|1,0,1]=4 783 B6R0.1 C=CCC(=O)CO 1458a_100000210174_100000210623 [1,1,0,0,0,0|0,0,1]=3 784 B6R0.1 C=CCC(=O)NC 11a_106832991635_100000210193 [1,1,0,0,0,0|1,0,1]=4 785 B6R0.1 C=CCC(=O)NC 1626a_100102657272_100000210193 [1,1,0,0,0,0|1,0,1]=4 786 B6R0.1 C=CCC(=O)NC 240690a_100102657272_100000210193 [1,1,0,0,0,0|1,0,1]=4 787 B6R0.1 C=CCC(=O)NC 527a_100102657272_100000210193 [1,1,0,0,0,0|1,0,1]=4 788 B6R0.1 CCC(=O)CCF 1458a_100000210414_100011217306 [1,1,0,0,0,0|2,0,0]=4 789 B6R0.1 CCC(=O)CCO 1458a_100000210414_100000211926 [1,1,0,0,0,0|1,0,1]=4 790 B6R0.1 CCC(=O)CCO 1458a_100011216618_100000210202 [1,1,0,0,0,0|1,0,1]=4 791 B6R0.1 CCCC(=O)CC 1458a_100000210414_100000210303 [1,1,0,0,0,0|1,0,1]=4 792 B6R0.1 CCCC(=O)CC 1458a_100000211992_100000210202 [1,1,0,0,0,0|1,0,1]=4 793 B6R0.1 CCCC(=O)CF 1458a_100000211992_100015361967 [1,1,0,0,0,0|1,0,1]=4 794 B6R0.1 CCCC(=O)CO 1458a_100000210174_100000210303 [1,1,0,0,0,0|0,0,1]=3 795 B6R0.1 CCCC(=O)NC 11a_106832991635_100000211992 [1,1,0,0,0,0|1,0,1]=4 796 B6R0.1 CCCC(=O)NC 1626a_100102657272_100000211992 [1,1,0,0,0,0|1,0,1]=4 797 B6R0.1 CCCC(=O)NC 240690a_100102657272_100000211992 [1,1,0,0,0,0|1,0,1]=4 798 B6R0.1 CCCC(=O)NC 527a_100102657272_100000211992 [1,1,0,0,0,0|1,0,1]=4 799 B6R0.1 CCNC(=O)CO 240690a_100015525214_100000210174 [1,1,0,0,0,0|1,0,1]=4 800 B6R0.1 CCNC(=O)CO 527a_100015525214_100000210174 [1,1,0,0,0,0|1,0,1]=4 801 B6R0.1 CNC(=O)CCO 240690a_100102657272_100011216618 [1,1,0,0,0,0|1,0,1]=4 802 B6R0.1 CNCC(=O)OC 2230a_106832991635_100000747449 [1,1,0,0,0,0|1,0,1]=4 803 B6R0.1 CNCC(=O)OC 34a_100102657272_100000747449 [1,1,0,0,0,0|1,0,1]=4 804 B6R0.1 CNCC(=O)OC 7a_106832991635_100000747449 [1,1,0,0,0,0|1,0,1]=4 805 B6R0.1 COC(=O)CSC 62a_100000747449_200000210301 [1,1,0,0,0,0|1,0,1]=4 806 B6R0.1 COC(=O)CSC 62a_200000210301_100000747449 [1,1,0,0,0,0|1,0,1]=4 807 B6R0.1 COC(=O)CS[13CH3] 62a_100000747449_200025704644 [1,1,0,0,0,0|1,0,1]=4 808 B6R0.1 COC(=O)CS[13CH3] 62a_200025704644_100000747449 [1,1,0,0,0,0|1,0,1]=4 809 B6R0.1 COCC(=O)OC 34a_100138415774_100000747449 [1,1,0,0,0,0|1,0,1]=4 810 B6R0.1 N#CCC(=O)CO 1458a_100000210174_100011214920 [1,1,0,0,0,0|1,0,1]=4 811 B6R0.1 O=C(CF)CCO 1458a_100011216618_100015361967 [1,1,0,0,0,0|1,0,1]=4 812 B6R0.1 O=C(CO)CCF 1458a_100000210174_100011217306 [1,1,0,0,0,0|1,0,0]=3 813 B6R0.1 O=C(CO)CCO 1458a_100000210174_100000211926 [1,1,0,0,0,0|0,0,1]=3 814 B6R0.2 C=C(C)CC(=O)C 1458a_100000070787_100000748629 [1,1,0,0,0,0|1,0,1]=4 815 B6R0.2 C=C(F)CC(=O)C 1458a_100000070787_100009893438 [1,1,0,0,0,0|1,0,1]=4 816 B6R0.2 CC(=O)CC(=O)N 1458a_100000070787_100000187820 [1,1,0,0,0,0|1,0,0]=3 817 B6R0.2 CC(=O)CC(=O)N 1458a_100134613110_200000210301 [1,1,0,0,0,0|1,0,0]=3 818 B6R0.2 CC(=O)CC(=O)[O-] 1458a_100000070787_100020667443 [1,1,0,0,0,0|0,0,1]=3 819 B6R0.2 CC(=O)CC(C)C 1458a_100000070787_100000210624 [1,1,0,0,0,0|1,0,1]=4 820 B6R0.2 CC(=O)CC(C)C 1458a_100000210554_200000210301 [1,1,0,0,0,0|1,0,1]=4 821 B6R0.2 CC(=O)CC(C)O 1458a_100000070787_100011218427 [1,1,0,0,0,0|1,0,1]=4 822 B6R0.2 CC(=O)CC(F)F 1458a_100000070787_100011934356 [1,1,0,0,0,0|2,0,0]=4 823 B6R0.2 CC(=O)C[C@@H](C)O 1458a_100011933948_200000210301 [1,1,0,0,0,0|1,0,1]=4 824 B6R0.2 CC(=O)C[N+](=O)[O-] 1458a_100000070787_100000761209 [1,1,0,0,0,0|1,0,1]=4 825 B6R0.2 CC(C)CC(=O)[13CH3] 1458a_100000210554_200025704644 [1,1,0,0,0,0|1,0,1]=4 826 B6R0.2 CN(C)CC(=O)O 269956a_100000746989_200000210301 [1,1,0,0,0,0|1,0,1]=4 827 B6R0.2 CN([13CH3])CC(=O)O 269956a_100000746989_200025704644 [1,1,0,0,0,0|1,0,1]=4 828 B6R0.2 C[C@@H](O)CC(=O)[13CH3] 1458a_100011933948_200025704644 [1,1,0,0,0,0|1,0,1]=4 829 B6R0.2 [13CH3]C(=O)CC(=O)N 1458a_100134613110_200025704644 [1,1,0,0,0,0|1,0,0]=3 830 B6R0.3 C=CC(C)C(=O)C 1458a_100011216780_200000210301 [1,1,0,0,0,0|1,0,1]=4 831 B6R0.3 C=CC(C)C(=O)[13CH3] 1458a_100011216780_200025704644 [1,1,0,0,0,0|1,0,1]=4 832 B6R0.3 CC(=O)C(O)CO 1458a_100011215603_200000210301 [1,1,0,0,0,0|1,0,1]=4 833 B6R0.3 CCC(C)C(=O)C 1458a_100000070787_100000758301 [1,1,0,0,0,0|1,0,1]=4 834 B6R0.3 CCC(C)C(=O)C 1458a_100011192722_200000210301 [1,1,0,0,0,0|1,0,1]=4 835 B6R0.3 CCC(C)C(=O)[13CH3] 1458a_100011192722_200025704644 [1,1,0,0,0,0|1,0,1]=4 836 B6R0.3 CCC(O)C(=O)C 1458a_100011196387_200000210301 [1,1,0,0,0,0|1,0,1]=4 837 B6R0.3 CCC(O)C(=O)[13CH3] 1458a_100011196387_200025704644 [1,1,0,0,0,0|1,0,1]=4 838 B6R0.3 CN[C@@H](C)C(=O)O 269956a_100000743915_200000210301 [1,1,0,0,0,0|1,0,1]=4 839 B6R0.3 C[C@H](N[13CH3])C(=O)O 269956a_100000743915_200025704644 [1,1,0,0,0,0|1,0,1]=4 840 B6R0.3 [13CH3]C(=O)C(O)CO 1458a_100011215603_200025704644 [1,1,0,0,0,0|1,0,1]=4 841 B6R0.6 C#CCNCC=O 34a_100000212058_200009817547 [1,1,0,0,0,0|1,0,1]=4 842 B6R0.6 C#CCOCC=O 34a_100000210247_200009817547 [1,1,0,0,0,0|1,0,1]=4 843 B6R0.6 C#CCSCC=O 62a_100000038162_200015260668 [1,1,0,0,0,0|1,0,1]=4 844 B6R0.6 C=CCCCOC 34a_100000758997_200000210301 [1,1,0,0,0,0|1,0,1]=4 845 B6R0.6 C=CCCCOC 34a_100138415774_100000757094 [1,1,0,0,0,0|1,0,1]=4 846 B6R0.6 C=CCCCOC 7a_100000758997_200000210301 [1,1,0,0,0,0|1,0,1]=4 847 B6R0.6 C=CCCCO[13CH3] 34a_100000758997_200025704644 [1,1,0,0,0,0|1,0,1]=4 848 B6R0.6 C=CCCCO[13CH3] 7a_100000758997_200025704644 [1,1,0,0,0,0|1,0,1]=4 849 B6R0.6 C=CCNCC=C 2230a_100020586998_100000210623 [1,1,0,0,0,0|2,0,0]=4 850 B6R0.6 C=CCNCC=O 2230a_100020586998_200015260668 [1,1,0,0,0,0|1,0,0]=3 851 B6R0.6 C=CCNCCO 2230a_100016997473_100000210623 [1,1,0,0,0,0|1,0,1]=4 852 B6R0.6 C=CCNCCO 2230a_100020586998_100000211926 [1,1,0,0,0,0|1,0,1]=4 853 B6R0.6 C=CCNCCO 34a_100016990907_100015514636 [1,1,0,0,0,0|1,0,1]=4 854 B6R0.6 C=CCOCC=C 34a_200000210373_100015514636 [1,1,0,0,0,0|2,0,0]=4 855 B6R0.6 C=CCOCC=O 34a_200000210373_200009817547 [1,1,0,0,0,0|1,0,0]=3 856 B6R0.6 C=CCOCCO 34a_200000210373_100000211926 [1,1,0,0,0,0|1,0,1]=4 857 B6R0.6 C=CCSCC=C 62a_100000210623_100000210623 [1,1,0,0,0,0|2,0,0]=4 858 B6R0.6 C=CCSCC=O 62a_100000210623_200015260668 [1,1,0,0,0,0|1,0,0]=3 859 B6R0.6 C=CCSCC=O 62a_200015260668_100000210623 [1,1,0,0,0,0|1,0,0]=3 860 B6R0.6 C=CCSCCO 62a_100000210623_100000211926 [1,1,0,0,0,0|1,0,1]=4 861 B6R0.6 C=CCSCCO 62a_100000211926_100000210623 [1,1,0,0,0,0|1,0,1]=4 862 B6R0.6 CCCOCC=O 34a_100000210258_200009817547 [1,1,0,0,0,0|1,0,1]=4 863 B6R0.6 CCCSCC=O 62a_100000210303_200015260668 [1,1,0,0,0,0|1,0,1]=4 864 B6R0.6 CCCSCC=O 62a_200015260668_100000210303 [1,1,0,0,0,0|1,0,1]=4 865 B6R0.6 CNCCCC=O 2230a_106832991635_200011292268 [1,1,0,0,0,0|1,0,1]=4 866 B6R0.6 CNCCCC=O 7a_106832991635_200011292268 [1,1,0,0,0,0|1,0,1]=4 867 B6R0.6 COCSCC=O 62a_100000766300_200015260668 [1,1,0,0,0,0|1,0,1]=4 868 B6R0.6 COCSCC=O 62a_200015260668_100000766300 [1,1,0,0,0,0|1,0,1]=4 869 B6R0.6 CSCCCC=O 62a_200000210301_200011292268 [1,1,0,0,0,0|0,1,1]=4 870 B6R0.6 CSCCCC=O 62a_200011292268_200000210301 [1,1,0,0,0,0|0,1,1]=4 871 B6R0.6 CSCSCC=O 62a_100011218213_200015260668 [1,1,0,0,0,0|2,0,0]=4 872 B6R0.6 CSCSCC=O 62a_200015260668_100011218213 [1,1,0,0,0,0|2,0,0]=4 873 B6R0.6 N#CCSCC=O 62a_100011215382_200015260668 [1,1,0,0,0,0|1,0,1]=4 874 B6R0.6 N#CCSCC=O 62a_200015260668_100011215382 [1,1,0,0,0,0|1,0,1]=4 875 B6R0.6 NCCOCC=O 34a_100000210304_200009817547 [1,1,0,0,0,0|1,0,1]=4 876 B6R0.6 O=CCNCCF 34a_100000724931_200009817547 [1,1,0,0,0,0|1,0,1]=4 877 B6R0.6 O=CCNCCO 2230a_100016997473_200015260668 [1,1,0,0,0,0|0,0,1]=3 878 B6R0.6 O=CCNCCO 34a_100016990907_200009817547 [1,1,0,0,0,0|0,0,1]=3 879 B6R0.6 O=CCOCCBr 34a_100000211926_200009817547 [1,1,0,0,0,0|1,0,1]=4 880 B6R0.6 O=CCSCC=O 62a_200015260668_200015260668 [1,1,0,0,0,0|0,0,0]=2 881 B6R0.6 O=CCSCCF 62a_100011217306_200015260668 [1,1,0,0,0,0|1,0,1]=4 882 B6R0.6 O=CCSCCF 62a_200015260668_100011217306 [1,1,0,0,0,0|1,0,1]=4 883 B6R0.6 O=CCSCCO 62a_100000211926_200015260668 [1,1,0,0,0,0|0,0,1]=3 884 B6R0.6 O=CCSCCO 62a_200015260668_100000211926 [1,1,0,0,0,0|0,0,1]=3 885 B6R0.6 [13CH3]SCCCC=O 62a_200011292268_200025704644 [1,1,0,0,0,0|0,1,1]=4 886 B6R0.6 [13CH3]SCCCC=O 62a_200025704644_200011292268 [1,1,0,0,0,0|0,1,1]=4 887 B8R0.5 C#CCN(C)CC(=O)O 269956a_100000746989_100000184674 [0,2,0,0,0,0|1,0,1]=4 888 B8R0.5 C#CCN(C)CC(=O)O 269956a_100011236498_200000210301 [0,2,0,0,0,0|1,0,1]=4 889 B8R0.5 C#CCN([13CH3])CC(=O)O 269956a_100011236498_200025704644 [0,2,0,0,0,0|1,0,1]=4 890 B8R0.5 C=C(C)CN(C)CC=O 2230a_100000225649_200015260668 [0,2,0,0,0,0|2,0,0]=4 891 B8R0.5 C=C(C)CN(C)CC=O 269982a_100000225649_200015260668 [0,2,0,0,0,0|2,0,0]=4 892 B8R0.5 C=CCC(=O)CC(=O)N 1458a_100000210193_100000187820 [0,2,0,0,0,0|2,0,0]=4 893 B8R0.5 C=CCC(=O)CC(=O)N 1458a_100134613110_100000210623 [0,2,0,0,0,0|2,0,0]=4 894 B8R0.5 C=CCC(=O)CC(=O)[O-] 1458a_100000210193_100020667443 [0,2,0,0,0,0|1,0,1]=4 895 B8R0.5 C=CCN(C)CC(=O)N 2230a_100000225617_100000747473 [0,2,0,0,0,0|2,0,0]=4 896 B8R0.5 C=CCN(C)CC(=O)N 2230a_100000739694_100000210623 [0,2,0,0,0,0|2,0,0]=4 897 B8R0.5 C=CCN(C)CC(=O)N 269982a_100000225617_100000187820 [0,2,0,0,0,0|2,0,0]=4 898 B8R0.5 C=CCN(C)CC(=O)O 269956a_100000744315_200000210301 [0,2,0,0,0,0|1,0,0]=3 899 B8R0.5 C=CCN(C)CC(=O)O 269956a_100000746989_100000210623 [0,2,0,0,0,0|1,0,0]=3 900 B8R0.5 C=CCN(C)CC(=O)[O-] 269982a_100000225617_100020667443 [0,2,0,0,0,0|1,0,1]=4 901 B8R0.5 C=CCN([13CH3])CC(=O)O 269956a_100000744315_200025704644 [0,2,0,0,0,0|1,0,0]=3 902 B8R0.5 CC(O)CN(C)CC=O 2230a_100000227577_200015260668 [0,2,0,0,0,0|1,0,1]=4 903 B8R0.5 CC(O)CN(C)CC=O 269982a_100000227577_200015260668 [0,2,0,0,0,0|1,0,1]=4 904 B8R0.5 CCCN(C)CC(=O)O 269956a_100000746989_100000210207 [0,2,0,0,0,0|1,0,1]=4 905 B8R0.5 CN(CC#N)CC(=O)O 269956a_100000746989_100011215382 [0,2,0,0,0,0|1,0,1]=4 906 B8R0.5 CN(CC=O)CC(=O)N 2230a_100000739694_200015260668 [0,2,0,0,0,0|1,0,0]=3 907 B8R0.5 CN(CC=O)CC(=O)O 269956a_100000746989_200015260668 [0,2,0,0,0,0|0,0,0]=2 908 B8R0.5 CN(CCF)CC(=O)O 269956a_100000746989_100011217306 [0,2,0,0,0,0|1,0,1]=4 909 B8R0.5 CN(CCO)CC(=O)O 269956a_100000746989_100000211926 [0,2,0,0,0,0|0,0,2]=4 910 B8R0.5 CN(CCO)CC(=O)O 269956a_100000747938_200000210301 [0,2,0,0,0,0|0,0,2]=4 911 B8R0.5 CNCC(O)CC(=O)O 269956a_100011218706_200000210301 [0,2,0,0,0,0|1,0,1]=4 912 B8R0.5 COCN(C)CC(=O)O 269956a_100000746989_100000766300 [0,2,0,0,0,0|2,0,0]=4 913 B8R0.5 CSCN(C)CC(=O)O 269956a_100000746989_100011218213 [0,2,0,0,0,0|2,0,0]=4 914 B8R0.5 [13CH3]N(CCO)CC(=O)O 269956a_100000747938_200025704644 [0,2,0,0,0,0|0,0,2]=4 915 B8R0.5 [13CH3]NCC(O)CC(=O)O 269956a_100011218706_200025704644 [0,2,0,0,0,0|1,0,1]=4 916 B8R0.16 CC[C@H](CC(=O)O)NC 269956a_100016995926_200000210301 [0,2,0,0,0,0|1,0,1]=4 917 B8R0.16 CC[C@H](CC(=O)O)N[13CH3] 269956a_100016995926_200025704644 [0,2,0,0,0,0|1,0,1]=4 918 B8R0.16 CN[C@H](CO)CC(=O)O 269956a_100009816507_200000210301 [0,2,0,0,0,0|0,0,2]=4 919 B8R0.16 [13CH3]N[C@H](CO)CC(=O)O 269956a_100009816507_200025704644 [0,2,0,0,0,0|0,0,2]=4 920 B8R0.19 C=CC(=O)CC(=O)OC 1458a_100000185746_100000747449 [0,2,0,0,0,0|1,0,1]=4 921 B8R0.19 C=CC(C)CC(=O)CC 1458a_100011934298_100000210202 [0,2,0,0,0,0|2,0,0]=4 922 B8R0.19 C=CC(C)CC(=O)CF 1458a_100011934298_100015361967 [0,2,0,0,0,0|2,0,0]=4 923 B8R0.19 C=CC(C)CC(=O)NC 11a_106832991635_100011934298 [0,2,0,0,0,0|2,0,0]=4 924 B8R0.19 C=CC(C)CC(=O)NC 1626a_100102657272_100011934298 [0,2,0,0,0,0|2,0,0]=4 925 B8R0.19 C=CC(C)CC(=O)NC 240690a_100102657272_100011934298 [0,2,0,0,0,0|2,0,0]=4 926 B8R0.19 C=CC(C)CC(=O)NC 527a_100102657272_100011934298 [0,2,0,0,0,0|2,0,0]=4 927 B8R0.19 CCC(C)CC(=O)CO 1458a_100000210174_100000748023 [0,2,0,0,0,0|1,0,1]=4 928 B8R0.19 CCC(O)CC(=O)CO 1458a_100000210174_100011218378 [0,2,0,0,0,0|1,0,1]=4 929 B8R0.19 CC[C@H](C)CC(=O)CO 1458a_100000210174_100009816398 [0,2,0,0,0,0|1,0,1]=4 930 B8R0.19 CNC(C)CC(=O)OC 2230a_106832991635_100009817358 [0,2,0,0,0,0|2,0,0]=4 931 B8R0.19 CNC(C)CC(=O)OC 34a_100102657272_100009817358 [0,2,0,0,0,0|2,0,0]=4 932 B8R0.19 CNC(C)CC(=O)OC 7a_106832991635_100009817358 [0,2,0,0,0,0|2,0,0]=4 933 B8R0.19 COC(=O)CC(C)OC 34a_100138415774_100009817358 [0,2,0,0,0,0|2,0,0]=4 934 B8R0.19 COC(=O)CC(C)SC 62a_100009817358_200000210301 [0,2,0,0,0,0|2,0,0]=4 935 B8R0.19 COC(=O)CC(C)SC 62a_200000210301_100009817358 [0,2,0,0,0,0|2,0,0]=4 936 B8R0.19 COC(=O)CC(C)S[13CH3] 62a_100009817358_200025704644 [0,2,0,0,0,0|2,0,0]=4 937 B8R0.19 COC(=O)CC(C)S[13CH3] 62a_200025704644_100009817358 [0,2,0,0,0,0|2,0,0]=4 938 B8R0.19 C[C@@H](CO)CC(=O)CO 1458a_100000210174_100000059175 [0,2,0,0,0,0|0,0,2]=4 939 B8R0.23 CC(=O)CC(=O)C(=O)C 1458a_100000070787_100011261029 [0,2,0,0,0,0|1,0,1]=4 940 B8R0.23 CC(=O)CN(C)C(=O)C 1458a_100000194957_200000210301 [0,2,0,0,0,0|2,0,0]=4 941 B8R0.23 CC(=O)CN(C)C(=O)N 1458a_100000218718_200000210301 [0,2,0,0,0,0|2,0,0]=4 942 B8R0.23 CC(=O)N(C)CC(=O)N 11a_100000739694_100015343762 [0,2,0,0,0,0|2,0,0]=4 943 B8R0.23 CC(=O)N(C)CC(=O)N 527a_100000739694_100103153847 [0,2,0,0,0,0|2,0,0]=4 944 B8R0.23 CC(=O)N(C)CC(=O)[13CH3] 1458a_100000194957_200025704644 [0,2,0,0,0,0|2,0,0]=4 945 B8R0.23 CC(=O)N[C@H](C)C(=O)C 1458a_100011504603_200000210301 [0,2,0,0,0,0|2,0,0]=4 946 B8R0.23 CC(=O)N[C@H](C)C(=O)N 11a_100000119354_100015343762 [0,2,0,0,0,0|2,0,0]=4 947 B8R0.23 CC(=O)N[C@H](C)C(=O)N 240690a_100000119354_100015343762 [0,2,0,0,0,0|2,0,0]=4 948 B8R0.23 CC(=O)N[C@H](C)C(=O)N 527a_100000119354_100103153847 [0,2,0,0,0,0|2,0,0]=4 949 B8R0.23 CC(=O)N[C@H](C)C(=O)[13CH3] 1458a_100011504603_200025704644 [0,2,0,0,0,0|2,0,0]=4 950 B8R0.23 CC(=O)OC(C)C(=O)C 1458a_100000070787_100009818208 [0,2,0,0,0,0|2,0,0]=4 951 B8R0.23 CC(=O)O[C@@H](C)C(=O)C 1458a_100009816467_200000210301 [0,2,0,0,0,0|2,0,0]=4 952 B8R0.23 CC(=O)O[C@@H](C)C(=O)[13CH3] 1458a_100009816467_200025704644 [0,2,0,0,0,0|2,0,0]=4 953 B8R0.23 CN(CC(=O)[13CH3])C(=O)N 1458a_100000218718_200025704644 [0,2,0,0,0,0|2,0,0]=4 954 B8R0.34 CC(C)(CC(=O)O)N[13CH3] 269956a_100000755897_200025704644 [0,2,0,0,0,0|2,0,0]=4 955 B8R0.34 CNC(C)(C)CC(=O)O 269956a_100000755897_200000210301 [0,2,0,0,0,0|2,0,0]=4 956 B8R0.1 C#CCC(=O)CCC=C 1458a_100000749702_100000184674 [0,2,0,0,0,0|2,0,0]=4 957 B8R0.1 C#CCC(=O)CCC=C 1458a_100011220946_100000754431 [0,2,0,0,0,0|2,0,0]=4 958 B8R0.1 C#CCCC(=O)CCO 1458a_100000692101_100000211926 [0,2,0,0,0,0|1,0,1]=4 959 B8R0.1 C#CCCC(=O)CCO 1458a_100011216618_100000753159 [0,2,0,0,0,0|1,0,1]=4 960 B8R0.1 C#CCCC(=O)COC 1458a_100000210968_100000753159 [0,2,0,0,0,0|1,0,1]=4 961 B8R0.1 C/C=C/CC(=O)CCO 1458a_100011216618_100102629194 [0,2,0,0,0,0|1,0,1]=4 962 B8R0.1 C/C=C/CC(=O)COC 1458a_100000210968_100102629194 [0,2,0,0,0,0|1,0,1]=4 963 B8R0.1 C=CCCC(=O)C#CC 1458a_100000763181_100000754431 [0,2,0,0,0,0|2,0,0]=4 964 B8R0.1 C=CCCC(=O)C=CBr 1458a_100016273825_100000754431 [0,2,0,0,0,0|2,0,0]=4 965 B8R0.1 C=CCCC(=O)C=CC 1458a_100000210699_100000754431 [0,2,0,0,0,0|2,0,0]=4 966 B8R0.1 C=CCCC(=O)C=CCl 1458a_200016279998_100000754431 [0,2,0,0,0,0|2,0,0]=4 967 B8R0.1 C=CCCC(=O)C=CI 1458a_100016256311_100000754431 [0,2,0,0,0,0|2,0,0]=4 968 B8R0.1 C=CCCC(=O)CC#N 1458a_100000749702_100011214920 [0,2,0,0,0,0|2,0,0]=4 969 B8R0.1 C=CCCC(=O)CC#N 1458a_100051588842_100000754431 [0,2,0,0,0,0|2,0,0]=4 970 B8R0.1 C=CCCC(=O)CC=C 1458a_100000210193_100000754431 [0,2,0,0,0,0|2,0,0]=4 971 B8R0.1 C=CCCC(=O)CC=C 1458a_100000749702_100000210623 [0,2,0,0,0,0|2,0,0]=4 972 B8R0.1 C=CCCC(=O)CCC 1458a_100000211992_100000754431 [0,2,0,0,0,0|2,0,0]=4 973 B8R0.1 C=CCCC(=O)CCC 1458a_100000749702_100000210303 [0,2,0,0,0,0|2,0,0]=4 974 B8R0.1 C=CCCC(=O)CCF 1458a_100000749702_100011217306 [0,2,0,0,0,0|2,0,0]=4 975 B8R0.1 C=CCCC(=O)CCO 1458a_100000749702_100000211926 [0,2,0,0,0,0|1,0,0]=3 976 B8R0.1 C=CCCC(=O)CCO 1458a_100011216618_100000754431 [0,2,0,0,0,0|1,0,0]=3 977 B8R0.1 C=CCCC(=O)COC 1458a_100000210968_100000754431 [0,2,0,0,0,0|1,0,0]=3 978 B8R0.1 C=CCCC(=O)CSC 1458a_100000184570_100000754431 [0,2,0,0,0,0|1,1,0]=4 979 B8R0.1 C=CCCC(=O)NCC 11a_100015525214_100000749702 [0,2,0,0,0,0|2,0,0]=4 980 B8R0.1 C=CCCC(=O)NCC 240690a_100015525214_100000749702 [0,2,0,0,0,0|2,0,0]=4 981 B8R0.1 C=CCCC(=O)NCC 527a_100015525214_100000749702 [0,2,0,0,0,0|2,0,0]=4 982 B8R0.1 C=CCCC(=O)NNC 22a_100016993582_100000749702 [0,2,0,0,0,0|2,0,0]=4 983 B8R0.1 C=CCNC(=O)CCO 240690a_100020586998_100011216618 [0,2,0,0,0,0|2,0,0]=4 984 B8R0.1 C=CCNC(=O)COC 1626a_100020586998_100000210968 [0,2,0,0,0,0|2,0,0]=4 985 B8R0.1 C=CCNC(=O)COC 240690a_100020586998_100000210968 [0,2,0,0,0,0|2,0,0]=4 986 B8R0.1 C=CCNC(=O)COC 527a_100020586998_100000210968 [0,2,0,0,0,0|2,0,0]=4 987 B8R0.1 C=CCOC(=O)COC 34a_100138415774_100000033060 [0,2,0,0,0,0|2,0,0]=4 988 B8R0.1 CC=CCC(=O)CCO 1458a_100011216618_100000070051 [0,2,0,0,0,0|1,0,1]=4 989 B8R0.1 CC=CCC(=O)CCO 1458a_100121576822_100000211926 [0,2,0,0,0,0|1,0,1]=4 990 B8R0.1 CC=CCC(=O)COC 1458a_100000210968_100000070051 [0,2,0,0,0,0|1,0,1]=4 991 B8R0.1 CCCCC(=O)CCO 1458a_100000210183_100000211926 [0,2,0,0,0,0|1,0,1]=4 992 B8R0.1 CCCCC(=O)CCO 1458a_100011216618_100000210211 [0,2,0,0,0,0|1,0,1]=4 993 B8R0.1 CCCCC(=O)COC 1458a_100000210968_100000210211 [0,2,0,0,0,0|1,0,1]=4 994 B8R0.1 CCOC(=O)CCNC 2230a_106832991635_100011206558 [0,2,0,0,0,0|2,0,0]=4 995 B8R0.1 CCOC(=O)CCNC 34a_100102657272_100000765890 [0,2,0,0,0,0|2,0,0]=4 996 B8R0.1 CCOC(=O)CCNC 7a_106832991635_100011206558 [0,2,0,0,0,0|2,0,0]=4 997 B8R0.1 CCOC(=O)CCOC 34a_100138415774_100000765890 [0,2,0,0,0,0|2,0,0]=4 998 B8R0.1 CCOC(=O)CCSC 62a_100000765890_200000210301 [0,2,0,0,0,0|2,0,0]=4 999 B8R0.1 CCOC(=O)CCSC 62a_200000210301_100000765890 [0,2,0,0,0,0|2,0,0]=4 1000 B8R0.1 CCOC(=O)CCS[13CH3] 62a_100000765890_200025704644 [0,2,0,0,0,0|2,0,0]=4 1001 B8R0.1 CCOC(=O)CCS[13CH3] 62a_200025704644_100000765890 [0,2,0,0,0,0|2,0,0]=4 1002 B8R0.1 COCC(=O)CCC#N 1458a_100000210968_100011215226 [0,2,0,0,0,0|1,0,1]=4 1003 B8R0.1 COCC(=O)CCCF 1458a_100000210968_100011934791 [0,2,0,0,0,0|1,0,1]=4 1004 B8R0.1 COCC(=O)CCCO 1458a_100000210968_100011215043 [0,2,0,0,0,0|0,0,2]=4 1005 B8R0.1 COCC(=O)CCSC 1458a_100000210968_100000751147 [0,2,0,0,0,0|2,0,0]=4 1006 B8R0.1 COCCC(=O)CCO 1458a_100000749529_100000211926 [0,2,0,0,0,0|2,0,0]=4 1007 B8R0.1 COCCC(=O)CCO 1458a_100011216618_100000233755 [0,2,0,0,0,0|2,0,0]=4 1008 B8R0.1 COCCC(=O)COC 1458a_100000210968_100000233755 [0,2,0,0,0,0|2,0,0]=4 1009 B8R0.1 CSCCC(=O)CCO 1458a_100000174002_100000211926 [0,2,0,0,0,0|2,0,0]=4 1010 B8R0.1 CSCCC(=O)CCO 1458a_100011216618_100000751147 [0,2,0,0,0,0|2,0,0]=4 1011 B8R0.1 N#CCCC(=O)CCO 1458a_100011216618_100011215226 [0,2,0,0,0,0|1,0,1]=4 1012 B8R0.1 N#CCCC(=O)CCO 1458a_100011934036_100000211926 [0,2,0,0,0,0|1,0,1]=4 1013 B8R0.1 O=C(CCO)CCCF 1458a_100011216618_100011934791 [0,2,0,0,0,0|1,0,1]=4 1014 B8R0.1 O=C(CCO)CCCO 1458a_100011216618_100011215043 [0,2,0,0,0,0|0,0,2]=4 1015 B8R0.3 C=CCC(C)C(=O)CC 1458a_100011216819_100000210202 [0,2,0,0,0,0|2,0,0]=4 1016 B8R0.3 C=CCC(C)C(=O)CF 1458a_100011216819_100015361967 [0,2,0,0,0,0|2,0,0]=4 1017 B8R0.3 C=CCC(C)C(=O)NC 11a_106832991635_100011216819 [0,2,0,0,0,0|2,0,0]=4 1018 B8R0.3 C=CCC(C)C(=O)NC 1626a_100102657272_100011216819 [0,2,0,0,0,0|2,0,0]=4 1019 B8R0.3 C=CCC(C)C(=O)NC 240690a_100102657272_100011216819 [0,2,0,0,0,0|2,0,0]=4 1020 B8R0.3 C=CCC(C)C(=O)NC 527a_100102657272_100011216819 [0,2,0,0,0,0|2,0,0]=4 1021 B8R0.3 C=CCN(C)C(=O)CO 240690a_100000225617_100000210174 [0,2,0,0,0,0|2,0,0]=4 1022 B8R0.3 C=CCN(C)C(=O)CO 527a_100000225617_100000210174 [0,2,0,0,0,0|2,0,0]=4 1023 B8R0.3 CC(CC#N)C(=O)CO 1458a_100000210174_100009813641 [0,2,0,0,0,0|1,0,1]=4 1024 B8R0.3 CC(CCO)C(=O)CO 1458a_100000210174_100009893172 [0,2,0,0,0,0|0,0,2]=4 1025 B8R0.3 CCCC(C)C(=O)CO 1458a_100000210174_100000766640 [0,2,0,0,0,0|1,0,1]=4 1026 B8R0.3 CNCC(C)C(=O)OC 34a_100102657272_100000698445 [0,2,0,0,0,0|2,0,0]=4 1027 B8R0.3 COC(=O)C(C)CO[13CH3] 34a_100000749362_200025704644 [0,2,0,0,0,0|2,0,0]=4 1028 B8R0.3 COC(=O)C(C)CO[13CH3] 7a_100000749362_200025704644 [0,2,0,0,0,0|2,0,0]=4 1029 B8R0.3 COC(=O)C(C)CSC 62a_100000698445_200000210301 [0,2,0,0,0,0|2,0,0]=4 1030 B8R0.3 COC(=O)C(C)CSC 62a_200000210301_100000698445 [0,2,0,0,0,0|2,0,0]=4 1031 B8R0.3 COC(=O)C(C)CS[13CH3] 62a_100000698445_200025704644 [0,2,0,0,0,0|2,0,0]=4 1032 B8R0.3 COC(=O)C(C)CS[13CH3] 62a_200025704644_100000698445 [0,2,0,0,0,0|2,0,0]=4 1033 B8R0.3 COC(=O)C(F)CO[13CH3] 34a_200009849844_200025704644 [0,2,0,0,0,0|2,0,0]=4 1034 B8R0.3 COC(=O)[C@H](N)CO[13CH3] 34a_100000003586_200025704644 [0,2,0,0,0,0|2,0,0]=4 1035 B8R0.3 COCC(C)C(=O)CO 1458a_100000210174_100000765312 [0,2,0,0,0,0|2,0,0]=4 1036 B8R0.3 COCC(C)C(=O)OC 34a_100000749362_200000210301 [0,2,0,0,0,0|2,0,0]=4 1037 B8R0.3 COCC(C)C(=O)OC 34a_100138415774_100000698445 [0,2,0,0,0,0|2,0,0]=4 1038 B8R0.3 COCC(C)C(=O)OC 7a_100000749362_200000210301 [0,2,0,0,0,0|2,0,0]=4 1039 B8R0.3 COCC(F)C(=O)OC 34a_200009849844_200000210301 [0,2,0,0,0,0|2,0,0]=4 1040 B8R0.3 COC[C@@H](N)C(=O)OC 34a_100000003586_200000210301 [0,2,0,0,0,0|2,0,0]=4 1041 B8R0.6 C#CC(=O)CCCC=C 1458a_100000211873_100000757094 [0,2,0,0,0,0|2,0,0]=4 1042 B8R0.6 C#CC(=O)CCOC=C 1458a_100000211873_100000039644 [0,2,0,0,0,0|2,0,0]=4 1043 B8R0.6 C#CCCCC(=O)CO 1458a_100000210174_100000731252 [0,2,0,0,0,0|1,0,1]=4 1044 B8R0.6 C#CCCNC(=O)CO 240690a_100000755551_100000210174 [0,2,0,0,0,0|1,0,1]=4 1045 B8R0.6 C#CCCNC(=O)CO 527a_100000755551_100000210174 [0,2,0,0,0,0|1,0,1]=4 1046 B8R0.6 C#CCNCC(=O)OC 34a_100000212058_100000747449 [0,2,0,0,0,0|1,0,1]=4 1047 B8R0.6 C#CCOCC(=O)OC 34a_100000210247_100000747449 [0,2,0,0,0,0|1,0,1]=4 1048 B8R0.6 C#CCSCC(=O)OC 62a_100000038162_100000747449 [0,2,0,0,0,0|1,0,1]=4 1049 B8R0.6 C=C(C#N)CSCC=O 62a_200015260668_100000694840 [0,2,0,0,0,0|2,0,0]=4 1050 B8R0.6 C=CC(O)CSCC=O 62a_100000730141_200015260668 [0,2,0,0,0,0|1,0,1]=4 1051 B8R0.6 C=CC(O)CSCC=O 62a_200015260668_100000730141 [0,2,0,0,0,0|1,0,1]=4 1052 B8R0.6 C=CCCCC(=O)C=C 1458a_100000185746_100000757094 [0,2,0,0,0,0|2,0,0]=4 1053 B8R0.6 C=CCCCC(=O)CC 1458a_100000210414_100000757094 [0,2,0,0,0,0|2,0,0]=4 1054 B8R0.6 C=CCCCC(=O)CC 1458a_100000766728_100000210202 [0,2,0,0,0,0|2,0,0]=4 1055 B8R0.6 C=CCCCC(=O)CF 1458a_100000766728_100015361967 [0,2,0,0,0,0|2,0,0]=4 1056 B8R0.6 C=CCCCC(=O)CO 1458a_100000210174_100000757094 [0,2,0,0,0,0|1,0,0]=3 1057 B8R0.6 C=CCCCC(=O)NC 11a_106832991635_100000766728 [0,2,0,0,0,0|2,0,0]=4 1058 B8R0.6 C=CCCCC(=O)NC 1626a_100102657272_100000766728 [0,2,0,0,0,0|2,0,0]=4 1059 B8R0.6 C=CCCCC(=O)NC 240690a_100102657272_100000766728 [0,2,0,0,0,0|2,0,0]=4 1060 B8R0.6 C=CCCCC(=O)NC 527a_100102657272_100000766728 [0,2,0,0,0,0|2,0,0]=4 1061 B8R0.6 C=CCCNC(=O)C=C 1626a_100015191253_100000185746 [0,2,0,0,0,0|2,0,0]=4 1062 B8R0.6 C=CCCNC(=O)C=C 240690a_100015191253_200121576911 [0,2,0,0,0,0|2,0,0]=4 1063 B8R0.6 C=CCCNC(=O)CC 11a_100015191253_100000210414 [0,2,0,0,0,0|2,0,0]=4 1064 B8R0.6 C=CCCNC(=O)CC 1626a_100015191253_100000210414 [0,2,0,0,0,0|2,0,0]=4 1065 B8R0.6 C=CCCNC(=O)CC 240690a_100015191253_100000210414 [0,2,0,0,0,0|2,0,0]=4 1066 B8R0.6 C=CCCNC(=O)CC 527a_100015191253_100000210414 [0,2,0,0,0,0|2,0,0]=4 1067 B8R0.6 C=CCCNC(=O)CO 240690a_100015191253_100000210174 [0,2,0,0,0,0|1,0,0]=3 1068 B8R0.6 C=CCCNC(=O)CO 527a_100015191253_100000210174 [0,2,0,0,0,0|1,0,0]=3 1069 B8R0.6 C=CCCNC(=O)NC 2708a_100015191253_106832991635 [0,2,0,0,0,0|2,0,0]=4 1070 B8R0.6 C=CCCNC(=O)NC 2708a_100102657272_100015191253 [0,2,0,0,0,0|2,0,0]=4 1071 B8R0.6 C=CCCNC(=O)NC 273464a_100015191253_100102657272 [0,2,0,0,0,0|2,0,0]=4 1072 B8R0.6 C=CCCNC(=O)NC 273464a_100102657272_100015191253 [0,2,0,0,0,0|2,0,0]=4 1073 B8R0.6 C=CCCNC(=O)NC 512a_100015191253_100102657272 [0,2,0,0,0,0|2,0,0]=4 1074 B8R0.6 C=CCCNC(=O)NC 512a_106832991638_100015191253 [0,2,0,0,0,0|2,0,0]=4 1075 B8R0.6 C=CCNCC(=O)NC 2230a_100000693194_100000210623 [0,2,0,0,0,0|2,0,0]=4 1076 B8R0.6 C=CCNCC(=O)NC 2230a_100020586998_100000183359 [0,2,0,0,0,0|2,0,0]=4 1077 B8R0.6 C=CCNCC(=O)OC 2230a_100020586998_100000747449 [0,2,0,0,0,0|1,0,0]=3 1078 B8R0.6 C=CCNNC(=O)CO 22a_100020588587_100000210174 [0,2,0,0,0,0|2,0,0]=4 1079 B8R0.6 C=CCOCC(=O)CC 34a_100000725409_100015514636 [0,2,0,0,0,0|2,0,0]=4 1080 B8R0.6 C=CCOCC(=O)NC 34a_100000750040_100015514636 [0,2,0,0,0,0|2,0,0]=4 1081 B8R0.6 C=CCOCC(=O)NC 34a_200000210373_100000183359 [0,2,0,0,0,0|2,0,0]=4 1082 B8R0.6 C=CCOCC(=O)OC 34a_200000210373_100000747449 [0,2,0,0,0,0|1,0,0]=3 1083 B8R0.6 C=CCSCC(=O)CC 1458a_100000230395_100000210202 [0,2,0,0,0,0|2,0,0]=4 1084 B8R0.6 C=CCSCC(=O)CC 62a_100000210623_100000747405 [0,2,0,0,0,0|2,0,0]=4 1085 B8R0.6 C=CCSCC(=O)CC 62a_100000747405_100000210623 [0,2,0,0,0,0|2,0,0]=4 1086 B8R0.6 C=CCSCC(=O)CF 1458a_100000230395_100015361967 [0,2,0,0,0,0|2,0,0]=4 1087 B8R0.6 C=CCSCC(=O)NC 11a_106832991635_100000230395 [0,2,0,0,0,0|2,0,0]=4 1088 B8R0.6 C=CCSCC(=O)NC 1626a_100102657272_100000230395 [0,2,0,0,0,0|2,0,0]=4 1089 B8R0.6 C=CCSCC(=O)NC 240690a_100102657272_100000230395 [0,2,0,0,0,0|2,0,0]=4 1090 B8R0.6 C=CCSCC(=O)NC 527a_100102657272_100000230395 [0,2,0,0,0,0|2,0,0]=4 1091 B8R0.6 C=CCSCC(=O)NC 62a_100000183359_100000210623 [0,2,0,0,0,0|2,0,0]=4 1092 B8R0.6 C=CCSCC(=O)NC 62a_100000210623_100000183359 [0,2,0,0,0,0|2,0,0]=4 1093 B8R0.6 C=CCSCC(=O)OC 62a_100000210623_100000747449 [0,2,0,0,0,0|1,0,0]=3 1094 B8R0.6 C=CCSCC(=O)OC 62a_100000747449_100000210623 [0,2,0,0,0,0|1,0,0]=3 1095 B8R0.6 C=COCCC(=O)C=C 1458a_100000185746_100000039644 [0,2,0,0,0,0|2,0,0]=4 1096 B8R0.6 C=COCCC(=O)CC 1458a_100000210414_100000039644 [0,2,0,0,0,0|2,0,0]=4 1097 B8R0.6 C=COCCC(=O)CO 1458a_100000210174_100000039644 [0,2,0,0,0,0|1,0,0]=3 1098 B8R0.6 CC(CO)CNCC=O 34a_100000744482_200009817547 [0,2,0,0,0,0|1,0,1]=4 1099 B8R0.6 CC/C=C\CC(=O)CO 1458a_100000210174_100103147603 [0,2,0,0,0,0|1,0,1]=4 1100 B8R0.6 CCC(=O)COCC=O 34a_100000725409_200009817547 [0,2,0,0,0,0|1,0,0]=3 1101 B8R0.6 CCC(=O)CSCC=O 62a_100000747405_200015260668 [0,2,0,0,0,0|1,0,0]=3 1102 B8R0.6 CCC(=O)CSCC=O 62a_200015260668_100000747405 [0,2,0,0,0,0|1,0,0]=3 1103 B8R0.6 CCC(O)CNCC=O 2230a_100011218483_200015260668 [0,2,0,0,0,0|1,0,1]=4 1104 B8R0.6 CCC(O)CSCC=O 62a_100011218378_200015260668 [0,2,0,0,0,0|1,0,1]=4 1105 B8R0.6 CCC(O)CSCC=O 62a_200015260668_100011218378 [0,2,0,0,0,0|1,0,1]=4 1106 B8R0.6 CCCCCC(=O)CO 1458a_100000210174_100000210326 [0,2,0,0,0,0|1,0,1]=4 1107 B8R0.6 CCCCNC(=O)CO 240690a_100000102301_100000210174 [0,2,0,0,0,0|1,0,1]=4 1108 B8R0.6 CCCCNC(=O)CO 527a_100000102301_100000210174 [0,2,0,0,0,0|1,0,1]=4 1109 B8R0.6 CCCOCC(=O)OC 34a_100000210258_100000747449 [0,2,0,0,0,0|1,0,1]=4 1110 B8R0.6 CCCSCC(=O)OC 62a_100000210303_100000747449 [0,2,0,0,0,0|1,0,1]=4 1111 B8R0.6 CCCSCC(=O)OC 62a_100000747449_100000210303 [0,2,0,0,0,0|1,0,1]=4 1112 B8R0.6 CCNCCC(=O)OC 2230a_100015525214_100000204255 [0,2,0,0,0,0|1,0,1]=4 1113 B8R0.6 CCOCCC(=O)CO 1458a_100000210174_100011215890 [0,2,0,0,0,0|1,0,1]=4 1114 B8R0.6 CCOCCC(=O)OC 34a_100121572206_100000742370 [0,2,0,0,0,0|1,0,1]=4 1115 B8R0.6 CCSCCC(=O)CO 1458a_100000210174_100000757381 [0,2,0,0,0,0|1,0,1]=4 1116 B8R0.6 CCSCCC(=O)OC 62a_100000204255_100000210202 [0,2,0,0,0,0|1,0,1]=4 1117 B8R0.6 CCSCCC(=O)OC 62a_100000210202_100000204255 [0,2,0,0,0,0|1,0,1]=4 1118 B8R0.6 CNC(=O)CNCC=O 2230a_100000693194_200015260668 [0,2,0,0,0,0|1,0,0]=3 1119 B8R0.6 CNC(=O)COCC=O 34a_100000750040_200009817547 [0,2,0,0,0,0|1,0,0]=3 1120 B8R0.6 CNC(=O)CSCC=O 62a_100000183359_200015260668 [0,2,0,0,0,0|1,0,0]=3 1121 B8R0.6 CNC(=O)CSCC=O 62a_200015260668_100000183359 [0,2,0,0,0,0|1,0,0]=3 1122 B8R0.6 CNCCCC(=O)OC 2230a_106832991635_100011218270 [0,2,0,0,0,0|1,0,1]=4 1123 B8R0.6 CNCCCC(=O)OC 34a_100102657272_100000742333 [0,2,0,0,0,0|1,0,1]=4 1124 B8R0.6 CNCCCC(=O)OC 7a_106832991635_100011218270 [0,2,0,0,0,0|1,0,1]=4 1125 B8R0.6 COC(=O)CCCSC 62a_100011218270_200000210301 [0,2,0,0,0,0|0,1,1]=4 1126 B8R0.6 COC(=O)CCCSC 62a_200000210301_100011218270 [0,2,0,0,0,0|0,1,1]=4 1127 B8R0.6 COC(=O)CCCS[13CH3] 62a_100011218270_200025704644 [0,2,0,0,0,0|0,1,1]=4 1128 B8R0.6 COC(=O)CCCS[13CH3] 62a_200025704644_100011218270 [0,2,0,0,0,0|0,1,1]=4 1129 B8R0.6 COC(=O)CCSCF 62a_100000204255_100015361967 [0,2,0,0,0,0|1,0,1]=4 1130 B8R0.6 COC(=O)CCSCF 62a_100015361967_100000204255 [0,2,0,0,0,0|1,0,1]=4 1131 B8R0.6 COC(=O)CNCCF 34a_100000724931_100000747449 [0,2,0,0,0,0|1,0,1]=4 1132 B8R0.6 COC(=O)CNCCO 2230a_100016997473_100000747449 [0,2,0,0,0,0|0,0,2]=4 1133 B8R0.6 COC(=O)CNCCO 34a_100016990907_100000747449 [0,2,0,0,0,0|0,0,2]=4 1134 B8R0.6 COC(=O)COCCBr 34a_100000211926_100000747449 [0,2,0,0,0,0|1,0,1]=4 1135 B8R0.6 COC(=O)COCCN 34a_100000210304_100000747449 [0,2,0,0,0,0|1,0,1]=4 1136 B8R0.6 COC(=O)CSCC#N 62a_100000747449_100011215382 [0,2,0,0,0,0|1,0,1]=4 1137 B8R0.6 COC(=O)CSCC#N 62a_100011215382_100000747449 [0,2,0,0,0,0|1,0,1]=4 1138 B8R0.6 COC(=O)CSCC=O 62a_100000747449_200015260668 [0,2,0,0,0,0|0,0,0]=2 1139 B8R0.6 COC(=O)CSCC=O 62a_200015260668_100000747449 [0,2,0,0,0,0|0,0,0]=2 1140 B8R0.6 COC(=O)CSCCF 62a_100000747449_100011217306 [0,2,0,0,0,0|1,0,1]=4 1141 B8R0.6 COC(=O)CSCCF 62a_100011217306_100000747449 [0,2,0,0,0,0|1,0,1]=4 1142 B8R0.6 COC(=O)CSCCO 62a_100000211926_100000747449 [0,2,0,0,0,0|0,0,2]=4 1143 B8R0.6 COC(=O)CSCCO 62a_100000747449_100000211926 [0,2,0,0,0,0|0,0,2]=4 1144 B8R0.6 COC(=O)CSCSC 62a_100000747449_100011218213 [0,2,0,0,0,0|2,0,0]=4 1145 B8R0.6 COC(=O)CSCSC 62a_100011218213_100000747449 [0,2,0,0,0,0|2,0,0]=4 1146 B8R0.6 COC(=O)NCCO[13CH3] 34a_100000757965_200025704644 [0,2,0,0,0,0|2,0,0]=4 1147 B8R0.6 COC(=O)OCCO[13CH3] 34a_100010262106_200025704644 [0,2,0,0,0,0|2,0,0]=4 1148 B8R0.6 COC(C)COCC=O 34a_100000690652_200009817547 [0,2,0,0,0,0|1,0,1]=4 1149 B8R0.6 COCCCC(=O)CO 1458a_100000210174_100000740836 [0,2,0,0,0,0|0,0,2]=4 1150 B8R0.6 COCCCC(=O)OC 34a_100138415774_100000742333 [0,2,0,0,0,0|0,0,2]=4 1151 B8R0.6 COCCNC(=O)CO 240690a_100000209980_100000210174 [0,2,0,0,0,0|2,0,0]=4 1152 B8R0.6 COCCNC(=O)CO 527a_100000209980_100000210174 [0,2,0,0,0,0|2,0,0]=4 1153 B8R0.6 COCCNC(=O)OC 34a_100000757965_200000210301 [0,2,0,0,0,0|2,0,0]=4 1154 B8R0.6 COCCOC(=O)OC 34a_100010262106_200000210301 [0,2,0,0,0,0|2,0,0]=4 1155 B8R0.6 COCSCC(=O)OC 62a_100000747449_100000766300 [0,2,0,0,0,0|2,0,0]=4 1156 B8R0.6 COCSCC(=O)OC 62a_100000766300_100000747449 [0,2,0,0,0,0|2,0,0]=4 1157 B8R0.6 CO[C@H](C)CNCC=O 2230a_100020591295_200015260668 [0,2,0,0,0,0|1,0,1]=4 1158 B8R0.6 CSCCNC(=O)CO 240690a_100020590264_100000210174 [0,2,0,0,0,0|2,0,0]=4 1159 B8R0.6 CSCCNC(=O)CO 527a_100020590264_100000210174 [0,2,0,0,0,0|2,0,0]=4 1160 B8R0.6 C[C@@H](CO)CSCC=O 62a_100000059175_200015260668 [0,2,0,0,0,0|1,0,1]=4 1161 B8R0.6 C[C@@H](CO)CSCC=O 62a_200015260668_100000059175 [0,2,0,0,0,0|1,0,1]=4 1162 B8R0.6 N#CCCCC(=O)CO 1458a_100000210174_100000211468 [0,2,0,0,0,0|1,0,1]=4 1163 B8R0.6 N#CCCNC(=O)CO 240690a_100000720768_100000210174 [0,2,0,0,0,0|1,0,1]=4 1164 B8R0.6 N#CCCNC(=O)CO 527a_100000720768_100000210174 [0,2,0,0,0,0|1,0,1]=4 1165 B8R0.6 O=C(CO)CCCCF 1458a_100000210174_100000729493 [0,2,0,0,0,0|1,0,1]=4 1166 B8R0.6 O=C(CO)CCCCO 1458a_100000210174_100000210776 [0,2,0,0,0,0|0,0,2]=4 1167 B8R0.6 O=C(CO)NCCCF 240690a_100015189416_100000210174 [0,2,0,0,0,0|1,0,1]=4 1168 B8R0.6 O=C(CO)NCCCF 527a_100015189416_100000210174 [0,2,0,0,0,0|1,0,1]=4 1169 B8R0.6 O=C(CO)NCCCO 240690a_100000182051_100000210174 [0,2,0,0,0,0|0,0,2]=4 1170 B8R0.6 O=C(CO)NCCCO 527a_100000182051_100000210174 [0,2,0,0,0,0|0,0,2]=4 1171 B8R0.6 O=CCNC[C@@H](F)CO 34a_100015665980_200009817547 [0,2,0,0,0,0|1,0,1]=4 1172 B8R0.6 O=CCNC[C@H](O)CO 2230a_100020644852_200015260668 [0,2,0,0,0,0|0,0,2]=4 1173 B8R0.6 O=CCSCC(O)CO 62a_100011219619_200015260668 [0,2,0,0,0,0|0,0,2]=4 1174 B8R0.6 O=CCSCC(O)CO 62a_200015260668_100011219619 [0,2,0,0,0,0|0,0,2]=4 1175 B8R0.6 O=CCSC[C@@H](O)CF 62a_100015614560_200015260668 [0,2,0,0,0,0|1,0,1]=4 1176 B8R0.6 O=CCSC[C@@H](O)CF 62a_200015260668_100015614560 [0,2,0,0,0,0|1,0,1]=4 1177 B8R0.6 O=CCSC[C@@H](O)CO 62a_100009815848_200015260668 [0,2,0,0,0,0|0,0,2]=4 1178 B8R0.6 O=CCSC[C@@H](O)CO 62a_200015260668_100009815848 [0,2,0,0,0,0|0,0,2]=4 1179 B8R0.8 C#CCCC(=O)C(O)O 1458a_100000233687_100000753159 [0,2,0,0,0,0|1,0,1]=4 1180 B8R0.8 C#CCCC(=O)[C@@H](C)O 1458a_100000717761_100000753159 [0,2,0,0,0,0|1,0,1]=4 1181 B8R0.8 C#CCCC(=O)[C@H](C)O 1458a_217856618621_100000753159 [0,2,0,0,0,0|1,0,1]=4 1182 B8R0.8 C#CCN[C@@H](C)C(=O)O 269956a_100000743915_100000184674 [0,2,0,0,0,0|1,0,1]=4 1183 B8R0.8 C/C=C/CC(=O)C(O)O 1458a_100000233687_100102629194 [0,2,0,0,0,0|1,0,1]=4 1184 B8R0.8 C/C=C/CC(=O)[C@@H](C)O 1458a_100000717761_100102629194 [0,2,0,0,0,0|1,0,1]=4 1185 B8R0.8 C/C=C/CC(=O)[C@H](C)O 1458a_217856618621_100102629194 [0,2,0,0,0,0|1,0,1]=4 1186 B8R0.8 C=CCCC(=O)C(=C)C 1458a_100000185857_100000754431 [0,2,0,0,0,0|2,0,0]=4 1187 B8R0.8 C=CCCC(=O)C(C)C 1458a_100000210198_100000754431 [0,2,0,0,0,0|2,0,0]=4 1188 B8R0.8 C=CCCC(=O)C(C)C 1458a_100000749702_100000210206 [0,2,0,0,0,0|2,0,0]=4 1189 B8R0.8 C=CCCC(=O)C(C)F 1458a_100000062450_100000754431 [0,2,0,0,0,0|2,0,0]=4 1190 B8R0.8 C=CCCC(=O)C(O)O 1458a_100000233687_100000754431 [0,2,0,0,0,0|1,0,0]=3 1191 B8R0.8 C=CCCC(=O)N(C)C 11a_100102631434_100000749702 [0,2,0,0,0,0|2,0,0]=4 1192 B8R0.8 C=CCCC(=O)N(C)C 1626a_100102631434_100000749702 [0,2,0,0,0,0|2,0,0]=4 1193 B8R0.8 C=CCCC(=O)N(C)C 240690a_100102631434_100000749702 [0,2,0,0,0,0|2,0,0]=4 1194 B8R0.8 C=CCCC(=O)N(C)C 527a_100102631434_100000749702 [0,2,0,0,0,0|2,0,0]=4 1195 B8R0.8 C=CCCC(=O)[C@@H](C)O 1458a_100000717761_100000754431 [0,2,0,0,0,0|1,0,0]=3 1196 B8R0.8 C=CCCC(=O)[C@H](C)O 1458a_217856618621_100000754431 [0,2,0,0,0,0|1,0,0]=3 1197 B8R0.8 C=CCCN(C)C(=O)C 11a_100020639649_100015343762 [0,2,0,0,0,0|2,0,0]=4 1198 B8R0.8 C=CCCN(C)C(=O)C 1626a_100020639649_100015343762 [0,2,0,0,0,0|2,0,0]=4 1199 B8R0.8 C=CCCN(C)C(=O)C 240690a_100020639649_100015343762 [0,2,0,0,0,0|2,0,0]=4 1200 B8R0.8 C=CCCN(C)C(=O)C 527a_100020639649_100103153847 [0,2,0,0,0,0|2,0,0]=4 1201 B8R0.8 C=CCNC(=O)C(O)O 240690a_100020586998_100000233687 [0,2,0,0,0,0|2,0,0]=4 1202 B8R0.8 C=CCNC(=O)[C@@H](C)O 240690a_100020586998_100000717761 [0,2,0,0,0,0|2,0,0]=4 1203 B8R0.8 C=CCNC(=O)[C@H](C)O 1626a_100020586998_217856618621 [0,2,0,0,0,0|2,0,0]=4 1204 B8R0.8 C=CCNC(=O)[C@H](C)O 240690a_100020586998_217856618621 [0,2,0,0,0,0|2,0,0]=4 1205 B8R0.8 C=CCNC(C)C(=O)C 2230a_100020586998_100009814033 [0,2,0,0,0,0|2,0,0]=4 1206 B8R0.8 C=CCNC(C)C(=O)N 2230a_100020586998_100000702099 [0,2,0,0,0,0|2,0,0]=4 1207 B8R0.8 C=CCNC(F)C(=O)N 2230a_100020586998_100009813875 [0,2,0,0,0,0|2,0,0]=4 1208 B8R0.8 C=CCN[C@@H](C)C(=O)O 269956a_100000743915_100000210623 [0,2,0,0,0,0|1,0,0]=3 1209 B8R0.8 C=CCN[C@H](C)C(=O)N 2230a_100000119354_100000210623 [0,2,0,0,0,0|2,0,0]=4 1210 B8R0.8 C=CCN[C@H](C)C(=O)N 34a_100000119354_100015514636 [0,2,0,0,0,0|2,0,0]=4 1211 B8R0.8 C=CCOC(C)C(=O)C 34a_100000212229_100015514636 [0,2,0,0,0,0|2,0,0]=4 1212 B8R0.8 C=CCOC(C)C(=O)N 34a_200000210373_100000702099 [0,2,0,0,0,0|2,0,0]=4 1213 B8R0.8 C=CCOC(F)C(=O)N 34a_200000210373_100009813875 [0,2,0,0,0,0|2,0,0]=4 1214 B8R0.8 C=CCOC(F)C(=O)[O-] 34a_200000210373_100020610796 [0,2,0,0,0,0|1,0,1]=4 1215 B8R0.8 C=CCO[C@@H](C)C(=O)[O-] 7a_217856618621_100015514636 [0,2,0,0,0,0|1,0,1]=4 1216 B8R0.8 C=CCO[C@H](C)C(=O)N 34a_100000731257_100015514636 [0,2,0,0,0,0|2,0,0]=4 1217 B8R0.8 C=CCO[C@H](C)C(=O)N 7a_100000731257_100015514636 [0,2,0,0,0,0|2,0,0]=4 1218 B8R0.8 C=CCSC(C)C(=O)C 1458a_100000230602_200000210301 [0,2,0,0,0,0|2,0,0]=4 1219 B8R0.8 C=CCSC(C)C(=O)C 62a_100000210623_100009814033 [0,2,0,0,0,0|2,0,0]=4 1220 B8R0.8 C=CCSC(C)C(=O)C 62a_100009814033_100000210623 [0,2,0,0,0,0|2,0,0]=4 1221 B8R0.8 C=CCSC(C)C(=O)N 62a_100000210623_100000702099 [0,2,0,0,0,0|2,0,0]=4 1222 B8R0.8 C=CCSC(C)C(=O)N 62a_100000702099_100000210623 [0,2,0,0,0,0|2,0,0]=4 1223 B8R0.8 C=CCSC(C)C(=O)[13CH3] 1458a_100000230602_200025704644 [0,2,0,0,0,0|2,0,0]=4 1224 B8R0.8 C=CCSC(F)C(=O)N 62a_100000210623_100009813875 [0,2,0,0,0,0|2,0,0]=4 1225 B8R0.8 C=CCSC(F)C(=O)N 62a_100009813875_100000210623 [0,2,0,0,0,0|2,0,0]=4 1226 B8R0.8 C=CCSC(F)C(=O)[O-] 62a_100000210623_100020610796 [0,2,0,0,0,0|1,0,1]=4 1227 B8R0.8 C=CCSC(F)C(=O)[O-] 62a_100020610796_100000210623 [0,2,0,0,0,0|1,0,1]=4 1228 B8R0.8 CC(=O)C(C)OCC=O 34a_100000212229_200009817547 [0,2,0,0,0,0|1,0,0]=3 1229 B8R0.8 CC(=O)C(C)SCC=O 62a_100009814033_200015260668 [0,2,0,0,0,0|1,0,0]=3 1230 B8R0.8 CC(=O)C(C)SCC=O 62a_200015260668_100009814033 [0,2,0,0,0,0|1,0,0]=3 1231 B8R0.8 CC(CNCF)C(=O)O 269956a_100000749485_100015361967 [0,2,0,0,0,0|1,0,1]=4 1232 B8R0.8 CC(SCC=O)C(=O)N 62a_100000702099_200015260668 [0,2,0,0,0,0|1,0,0]=3 1233 B8R0.8 CC(SCC=O)C(=O)N 62a_200015260668_100000702099 [0,2,0,0,0,0|1,0,0]=3 1234 B8R0.8 CC=CCC(=O)C(O)O 1458a_100000233687_100000070051 [0,2,0,0,0,0|1,0,1]=4 1235 B8R0.8 CC=CCC(=O)[C@@H](C)O 1458a_100000717761_100000070051 [0,2,0,0,0,0|1,0,1]=4 1236 B8R0.8 CC=CCC(=O)[C@H](C)O 1458a_217856618621_100000070051 [0,2,0,0,0,0|1,0,1]=4 1237 B8R0.8 CCCCC(=O)C(O)O 1458a_100000233687_100000210211 [0,2,0,0,0,0|1,0,1]=4 1238 B8R0.8 CCCCC(=O)[C@@H](C)O 1458a_100000717761_100000210211 [0,2,0,0,0,0|1,0,1]=4 1239 B8R0.8 CCCCC(=O)[C@H](C)O 1458a_217856618621_100000210211 [0,2,0,0,0,0|1,0,1]=4 1240 B8R0.8 CCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210207 [0,2,0,0,0,0|1,0,1]=4 1241 B8R0.8 CCNCC(C)C(=O)O 269956a_100000749485_100000210202 [0,2,0,0,0,0|1,0,1]=4 1242 B8R0.8 CCNCC(F)C(=O)O 269956a_100000084737_100000210202 [0,2,0,0,0,0|1,0,1]=4 1243 B8R0.8 COCCC(=O)C(O)O 1458a_100000233687_100000233755 [0,2,0,0,0,0|2,0,0]=4 1244 B8R0.8 COCCC(=O)[C@@H](C)O 1458a_100000717761_100000233755 [0,2,0,0,0,0|2,0,0]=4 1245 B8R0.8 COCCC(=O)[C@H](C)O 1458a_217856618621_100000233755 [0,2,0,0,0,0|2,0,0]=4 1246 B8R0.8 COCN[C@@H](C)C(=O)O 269956a_100000743915_100000766300 [0,2,0,0,0,0|2,0,0]=4 1247 B8R0.8 CSCCC(=O)C(O)O 1458a_100000233687_100000751147 [0,2,0,0,0,0|2,0,0]=4 1248 B8R0.8 CSCCC(=O)[C@@H](C)O 1458a_100000717761_100000751147 [0,2,0,0,0,0|2,0,0]=4 1249 B8R0.8 CSCCC(=O)[C@H](C)O 1458a_217856618621_100000751147 [0,2,0,0,0,0|2,0,0]=4 1250 B8R0.8 CSCN[C@@H](C)C(=O)O 269956a_100000743915_100011218213 [0,2,0,0,0,0|2,0,0]=4 1251 B8R0.8 C[C@@H](NCC=O)C(=O)N 2230a_100000119354_200015260668 [0,2,0,0,0,0|1,0,0]=3 1252 B8R0.8 C[C@@H](NCC=O)C(=O)N 34a_100000119354_200009817547 [0,2,0,0,0,0|1,0,0]=3 1253 B8R0.8 C[C@@H](O)C(=O)CCC#N 1458a_100000717761_100011215226 [0,2,0,0,0,0|1,0,1]=4 1254 B8R0.8 C[C@@H](O)C(=O)CCCF 1458a_100000717761_100011934791 [0,2,0,0,0,0|1,0,1]=4 1255 B8R0.8 C[C@@H](O)C(=O)CCCO 1458a_100000717761_100011215043 [0,2,0,0,0,0|0,0,2]=4 1256 B8R0.8 C[C@@H](OCC=O)C(=O)N 34a_100000731257_200009817547 [0,2,0,0,0,0|1,0,0]=3 1257 B8R0.8 C[C@@H](OCC=O)C(=O)N 7a_100000731257_200015260668 [0,2,0,0,0,0|1,0,0]=3 1258 B8R0.8 C[C@H](NCC#N)C(=O)O 269956a_100000743915_100011215382 [0,2,0,0,0,0|1,0,1]=4 1259 B8R0.8 C[C@H](NCC=O)C(=O)O 269956a_100000743915_200015260668 [0,2,0,0,0,0|0,0,0]=2 1260 B8R0.8 C[C@H](NCCF)C(=O)O 269956a_100000743915_100011217306 [0,2,0,0,0,0|1,0,1]=4 1261 B8R0.8 C[C@H](NCCO)C(=O)O 269956a_100000743915_100000211926 [0,2,0,0,0,0|0,0,2]=4 1262 B8R0.8 C[C@H](O)C(=O)CCC#N 1458a_217856618621_100011215226 [0,2,0,0,0,0|1,0,1]=4 1263 B8R0.8 C[C@H](O)C(=O)CCCF 1458a_217856618621_100011934791 [0,2,0,0,0,0|1,0,1]=4 1264 B8R0.8 C[C@H](O)C(=O)CCCO 1458a_217856618621_100011215043 [0,2,0,0,0,0|0,0,2]=4 1265 B8R0.8 C[C@H](OCC=O)C(=O)[O-] 7a_217856618621_200015260668 [0,2,0,0,0,0|0,0,1]=3 1266 B8R0.8 N#CCCC(=O)C(O)O 1458a_100000233687_100011215226 [0,2,0,0,0,0|1,0,1]=4 1267 B8R0.8 NC(=O)C(F)SCC=O 62a_100009813875_200015260668 [0,2,0,0,0,0|1,0,0]=3 1268 B8R0.8 NC(=O)C(F)SCC=O 62a_200015260668_100009813875 [0,2,0,0,0,0|1,0,0]=3 1269 B8R0.8 O=C(CCCF)C(O)O 1458a_100000233687_100011934791 [0,2,0,0,0,0|1,0,1]=4 1270 B8R0.8 O=C(CCCO)C(O)O 1458a_100000233687_100011215043 [0,2,0,0,0,0|0,0,2]=4 1271 B8R0.8 O=C(O)C(F)CNCF 269956a_100000084737_100015361967 [0,2,0,0,0,0|1,0,1]=4 1272 B8R0.8 O=CCSC(F)C(=O)[O-] 62a_100020610796_200015260668 [0,2,0,0,0,0|0,0,1]=3 1273 B8R0.8 O=CCSC(F)C(=O)[O-] 62a_200015260668_100020610796 [0,2,0,0,0,0|0,0,1]=3 1274 B8R0.9 C#CC(=O)CCC(=C)C 1458a_100000211873_100000730704 [0,2,0,0,0,0|2,0,0]=4 1275 B8R0.9 C#CC(=O)CCC(C)O 1458a_100000211873_100012276601 [0,2,0,0,0,0|1,0,1]=4 1276 B8R0.9 C#CC(C)NCC(=O)O 269956a_100016091260_200000035995 [0,2,0,0,0,0|1,0,1]=4 1277 B8R0.9 C=C(C)CCC(=O)CC 1458a_100000210414_100000730704 [0,2,0,0,0,0|2,0,0]=4 1278 B8R0.9 C=C(C)CCC(=O)CC 1458a_200000688413_100000210202 [0,2,0,0,0,0|2,0,0]=4 1279 B8R0.9 C=C(C)CCC(=O)CF 1458a_200000688413_100015361967 [0,2,0,0,0,0|2,0,0]=4 1280 B8R0.9 C=C(C)CCC(=O)CO 1458a_100000210174_100000730704 [0,2,0,0,0,0|1,0,0]=3 1281 B8R0.9 C=C(C)CCC(=O)NC 11a_106832991635_200000688413 [0,2,0,0,0,0|2,0,0]=4 1282 B8R0.9 C=C(C)CCC(=O)NC 1626a_100102657272_200000688413 [0,2,0,0,0,0|2,0,0]=4 1283 B8R0.9 C=C(C)CCC(=O)NC 240690a_100102657272_200000688413 [0,2,0,0,0,0|2,0,0]=4 1284 B8R0.9 C=C(C)CCC(=O)NC 527a_100102657272_200000688413 [0,2,0,0,0,0|2,0,0]=4 1285 B8R0.9 C=C(C)CNC(=O)CO 240690a_100000765925_100000210174 [0,2,0,0,0,0|2,0,0]=4 1286 B8R0.9 C=C(C)CNC(=O)CO 527a_100000765925_100000210174 [0,2,0,0,0,0|2,0,0]=4 1287 B8R0.9 C=CC(=O)CCC(=C)C 1458a_100000185746_100000730704 [0,2,0,0,0,0|2,0,0]=4 1288 B8R0.9 C=CC(=O)CCC(C)O 1458a_100000185746_100012276601 [0,2,0,0,0,0|1,0,1]=4 1289 B8R0.9 C=CC(=O)NCC(=O)C 1458a_200011222540_200000210301 [0,2,0,0,0,0|2,0,0]=4 1290 B8R0.9 C=CC(=O)NCC(=O)N 240690a_100000711301_200121576911 [0,2,0,0,0,0|2,0,0]=4 1291 B8R0.9 C=CC(=O)NCC(=O)[13CH3] 1458a_200011222540_200025704644 [0,2,0,0,0,0|2,0,0]=4 1292 B8R0.9 C=CC(C)NCC(=O)O 269956a_100016091260_100011215867 [0,2,0,0,0,0|1,0,0]=3 1293 B8R0.9 C=CC(C)OCC(=O)N 34a_100000695699_100000187820 [0,2,0,0,0,0|2,0,0]=4 1294 B8R0.9 C=CC(C)OCC(=O)[O-] 34a_100000695699_100020667443 [0,2,0,0,0,0|1,0,1]=4 1295 B8R0.9 C=CC(C)SCC(=O)N 62a_100011215867_100000747473 [0,2,0,0,0,0|2,0,0]=4 1296 B8R0.9 C=CC(C)SCC(=O)[O-] 62a_100011215867_100020667443 [0,2,0,0,0,0|1,0,1]=4 1297 B8R0.9 CC(=CCC(=O)CO)C 1458a_100000210174_100000761012 [0,2,0,0,0,0|1,0,1]=4 1298 B8R0.9 CC(=O)NCC(=O)CF 1458a_100000194580_100015361967 [0,2,0,0,0,0|2,0,0]=4 1299 B8R0.9 CC(=O)NNC(=O)CO 22a_100000189765_100000210174 [0,2,0,0,0,0|2,0,0]=4 1300 B8R0.9 CC(=O)OCC(=O)CF 1458a_100000183556_100015361967 [0,2,0,0,0,0|2,0,0]=4 1301 B8R0.9 CC(=O)SCC(=O)CF 1458a_100000049016_100015361967 [0,2,0,0,0,0|2,0,0]=4 1302 B8R0.9 CC(C#N)NCC(=O)O 269956a_100016091260_100000184139 [0,2,0,0,0,0|1,0,1]=4 1303 B8R0.9 CC(C)CCC(=O)CO 1458a_100000210174_100000210312 [0,2,0,0,0,0|1,0,1]=4 1304 B8R0.9 CC(O)CCC(=O)CO 1458a_100000210174_100012276601 [0,2,0,0,0,0|0,0,2]=4 1305 B8R0.9 CCC(=O)CCC(=O)N 1458a_100011215257_100000210202 [0,2,0,0,0,0|1,0,0]=3 1306 B8R0.9 CCC(=O)CCC(C)O 1458a_100000210414_100012276601 [0,2,0,0,0,0|1,0,1]=4 1307 B8R0.9 CCC(=O)CC[N+](=O)[O-] 1458a_200000064761_100000210202 [0,2,0,0,0,0|1,0,1]=4 1308 B8R0.9 CCC(=O)CNC(=O)C 1458a_100000194580_100000210202 [0,2,0,0,0,0|2,0,0]=4 1309 B8R0.9 CCC(=O)CNC(=O)N 1458a_100000184981_100000210202 [0,2,0,0,0,0|2,0,0]=4 1310 B8R0.9 CCC(=O)COC(=O)C 1458a_100000183556_100000210202 [0,2,0,0,0,0|2,0,0]=4 1311 B8R0.9 CCC(=O)CSC(=O)C 1458a_100000049016_100000210202 [0,2,0,0,0,0|2,0,0]=4 1312 B8R0.9 CCC(=O)NCC(=O)C 1458a_100000194589_200000210301 [0,2,0,0,0,0|2,0,0]=4 1313 B8R0.9 CCC(=O)NCC(=O)N 11a_100000711301_100000210414 [0,2,0,0,0,0|2,0,0]=4 1314 B8R0.9 CCC(=O)NCC(=O)N 240690a_100000711301_100000210414 [0,2,0,0,0,0|2,0,0]=4 1315 B8R0.9 CCC(=O)NCC(=O)N 527a_100000711301_100000210414 [0,2,0,0,0,0|2,0,0]=4 1316 B8R0.9 CCC(=O)NCC(=O)[13CH3] 1458a_100000194589_200025704644 [0,2,0,0,0,0|2,0,0]=4 1317 B8R0.9 CCC(C)NCC(=O)O 269956a_100016091260_100000758301 [0,2,0,0,0,0|1,0,1]=4 1318 B8R0.9 CCS(=O)CCC(=O)C 1458a_100011387550_200000210301 [0,2,0,0,0,0|2,0,0]=4 1319 B8R0.9 CCS(=O)CCC(=O)[13CH3] 1458a_100011387550_200025704644 [0,2,0,0,0,0|2,0,0]=4 1320 B8R0.9 CNC(=O)CCC(=O)C 1458a_100011309844_200000210301 [0,2,0,0,0,0|1,0,0]=3 1321 B8R0.9 CNC(=O)CCC(=O)N 240690a_100102657272_100011215257 [0,2,0,0,0,0|1,0,0]=3 1322 B8R0.9 CNC(=O)CCC(=O)N 527a_100102657272_100011215257 [0,2,0,0,0,0|1,0,0]=3 1323 B8R0.9 CNC(=O)CCC(=O)[13CH3] 1458a_100011309844_200025704644 [0,2,0,0,0,0|1,0,0]=3 1324 B8R0.9 CNC(=O)CCC(C)O 1626a_100102657272_100000718519 [0,2,0,0,0,0|1,0,1]=4 1325 B8R0.9 CNC(=O)CC[N+](=O)[O-] 11a_106832991635_200000064761 [0,2,0,0,0,0|1,0,1]=4 1326 B8R0.9 CNC(=O)CC[N+](=O)[O-] 1626a_100102657272_200000064761 [0,2,0,0,0,0|1,0,1]=4 1327 B8R0.9 CNC(=O)CC[N+](=O)[O-] 240690a_100102657272_200000064761 [0,2,0,0,0,0|1,0,1]=4 1328 B8R0.9 CNC(=O)CNC(=O)C 11a_100000693194_100015343762 [0,2,0,0,0,0|2,0,0]=4 1329 B8R0.9 CNC(=O)CNC(=O)C 11a_106832991635_100000194580 [0,2,0,0,0,0|2,0,0]=4 1330 B8R0.9 CNC(=O)CNC(=O)C 1626a_100102657272_100000194580 [0,2,0,0,0,0|2,0,0]=4 1331 B8R0.9 CNC(=O)CNC(=O)C 240690a_100000693194_100015343762 [0,2,0,0,0,0|2,0,0]=4 1332 B8R0.9 CNC(=O)CNC(=O)C 240690a_100102657272_100000194580 [0,2,0,0,0,0|2,0,0]=4 1333 B8R0.9 CNC(=O)CNC(=O)C 527a_100000693194_100103153847 [0,2,0,0,0,0|2,0,0]=4 1334 B8R0.9 CNC(=O)CNC(=O)C 527a_100102657272_100000194580 [0,2,0,0,0,0|2,0,0]=4 1335 B8R0.9 CNC(=O)CNC(=O)N 240690a_100102657272_100000184981 [0,2,0,0,0,0|2,0,0]=4 1336 B8R0.9 CNC(=O)CNC(=O)N 527a_100102657272_100000184981 [0,2,0,0,0,0|2,0,0]=4 1337 B8R0.9 CNC(=O)COC(=O)C 1626a_100102657272_100000183556 [0,2,0,0,0,0|2,0,0]=4 1338 B8R0.9 CNC(=O)COC(=O)C 240690a_100102657272_100000183556 [0,2,0,0,0,0|2,0,0]=4 1339 B8R0.9 CNC(=O)COC(=O)C 527a_100102657272_100000183556 [0,2,0,0,0,0|2,0,0]=4 1340 B8R0.9 CNC(=O)CSC(=O)C 11a_106832991635_100000049016 [0,2,0,0,0,0|2,0,0]=4 1341 B8R0.9 CNC(=O)CSC(=O)C 1626a_100102657272_100000049016 [0,2,0,0,0,0|2,0,0]=4 1342 B8R0.9 CNC(=O)CSC(=O)C 240690a_100102657272_100000049016 [0,2,0,0,0,0|2,0,0]=4 1343 B8R0.9 CNC(=O)CSC(=O)N 240690a_100102657272_200015941356 [0,2,0,0,0,0|2,0,0]=4 1344 B8R0.9 CNC(=O)NCC(=O)N 2708a_100102657272_100000711301 [0,2,0,0,0,0|2,0,0]=4 1345 B8R0.9 CNC(=O)NCC(=O)N 273464a_100000711301_100102657272 [0,2,0,0,0,0|2,0,0]=4 1346 B8R0.9 CNC(=O)NCC(=O)N 273464a_100102657272_100000711301 [0,2,0,0,0,0|2,0,0]=4 1347 B8R0.9 CNC(=O)NCC(=O)N 512a_106832991638_100000711301 [0,2,0,0,0,0|2,0,0]=4 1348 B8R0.9 COC(=O)CCC(=O)C 1458a_100000187943_200000210301 [0,2,0,0,0,0|0,0,0]=2 1349 B8R0.9 COC(=O)CCC(=O)[13CH3] 1458a_100000187943_200025704644 [0,2,0,0,0,0|0,0,0]=2 1350 B8R0.9 COC(=O)CCN(C)C 2230a_100102631434_100000204255 [0,2,0,0,0,0|2,0,0]=4 1351 B8R0.9 COC(=O)CCN(C)C 269982a_100025711912_200000210301 [0,2,0,0,0,0|2,0,0]=4 1352 B8R0.9 COC(=O)CCN(C)C 269982a_100102631434_100000204255 [0,2,0,0,0,0|2,0,0]=4 1353 B8R0.9 COC(=O)CCN(C)[13CH3] 269982a_100025711912_200025704644 [0,2,0,0,0,0|2,0,0]=4 1354 B8R0.9 COC(=O)CNC(=O)C 188690a_100000185156_100015343762 [0,2,0,0,0,0|1,0,0]=3 1355 B8R0.9 COC(=O)NCC(=O)C 1458a_100000215747_200000210301 [0,2,0,0,0,0|1,0,0]=3 1356 B8R0.9 COC(=O)NCC(=O)[13CH3] 1458a_100000215747_200025704644 [0,2,0,0,0,0|1,0,0]=3 1357 B8R0.9 COC(C)NCC(=O)O 269956a_100016091260_100009879195 [0,2,0,0,0,0|2,0,0]=4 1358 B8R0.9 C[C@H](CO)NCC(=O)O 269956a_100016091260_100016084084 [0,2,0,0,0,0|0,0,2]=4 1359 B8R0.9 NC(=O)CCC(=O)CF 1458a_100011215257_100015361967 [0,2,0,0,0,0|1,0,0]=3 1360 B8R0.9 NC(=O)CNC(=O)CO 240690a_100000711301_100000210174 [0,2,0,0,0,0|1,0,0]=3 1361 B8R0.9 NC(=O)CNC(=O)CO 527a_100000711301_100000210174 [0,2,0,0,0,0|1,0,0]=3 1362 B8R0.9 NC(=O)NCC(=O)CF 1458a_100000184981_100015361967 [0,2,0,0,0,0|2,0,0]=4 1363 B8R0.9 O=C(CF)CC[N+](=O)[O-] 1458a_200000064761_100015361967 [0,2,0,0,0,0|1,0,1]=4 1364 B8R0.7 C#CCCNCC(=O)O 269956a_100016091260_100000688953 [0,2,0,0,0,0|1,0,1]=4 1365 B8R0.7 C#CCNOCC(=O)O 269956a_100000106656_100000184674 [0,2,0,0,0,0|1,0,1]=4 1366 B8R0.7 C/C=C/CNCC(=O)O 269956a_100016091260_100102629194 [0,2,0,0,0,0|1,0,0]=3 1367 B8R0.7 C/C=C/COCC(=O)C 34a_100000211253_100102629194 [0,2,0,0,0,0|2,0,0]=4 1368 B8R0.7 C/C=C/COCC(=O)N 34a_100016270725_100000187820 [0,2,0,0,0,0|2,0,0]=4 1369 B8R0.7 C/C=C/COCC(=O)[O-] 34a_100016270725_100020667443 [0,2,0,0,0,0|1,0,1]=4 1370 B8R0.7 C/C=C/CSCC(=O)N 62a_100000747473_100102629194 [0,2,0,0,0,0|2,0,0]=4 1371 B8R0.7 C/C=C/CSCC(=O)N 62a_100102629194_100000747473 [0,2,0,0,0,0|2,0,0]=4 1372 B8R0.7 C/C=C/CSCC(=O)[O-] 62a_100020667443_100102629194 [0,2,0,0,0,0|1,0,1]=4 1373 B8R0.7 C/C=C/CSCC(=O)[O-] 62a_100102629194_100020667443 [0,2,0,0,0,0|1,0,1]=4 1374 B8R0.7 C=C(Br)CCOCC=O 34a_100009813270_200009817547 [0,2,0,0,0,0|2,0,0]=4 1375 B8R0.7 C=C(C)CCOCC=O 34a_100000764851_200009817547 [0,2,0,0,0,0|2,0,0]=4 1376 B8R0.7 C=C(C)CCSCC=O 62a_100000730704_200015260668 [0,2,0,0,0,0|2,0,0]=4 1377 B8R0.7 C=C(C)CCSCC=O 62a_200015260668_100000730704 [0,2,0,0,0,0|2,0,0]=4 1378 B8R0.7 C=CCCCCC(=O)C 1458a_100000070787_100011215482 [0,2,0,0,0,0|2,0,0]=4 1379 B8R0.7 C=CCCCCC(=O)C 1458a_100011215552_200000210301 [0,2,0,0,0,0|2,0,0]=4 1380 B8R0.7 C=CCCCCC(=O)[13CH3] 1458a_100011215552_200025704644 [0,2,0,0,0,0|2,0,0]=4 1381 B8R0.7 C=CCCCNC(=O)C 11a_100000700776_100015343762 [0,2,0,0,0,0|2,0,0]=4 1382 B8R0.7 C=CCCCNC(=O)C 1626a_100000700776_100015343762 [0,2,0,0,0,0|2,0,0]=4 1383 B8R0.7 C=CCCCNC(=O)C 240690a_100000700776_100015343762 [0,2,0,0,0,0|2,0,0]=4 1384 B8R0.7 C=CCCCNC(=O)C 527a_100000700776_100103153847 [0,2,0,0,0,0|2,0,0]=4 1385 B8R0.7 C=CCCNCC(=O)N 2230a_100000711301_100000754431 [0,2,0,0,0,0|2,0,0]=4 1386 B8R0.7 C=CCCNCC(=O)N 2230a_100015191253_100000747473 [0,2,0,0,0,0|2,0,0]=4 1387 B8R0.7 C=CCCNCC(=O)O 269956a_100016091260_100000754431 [0,2,0,0,0,0|1,0,0]=3 1388 B8R0.7 C=CCCOCC(=O)C 34a_100000211253_100000754431 [0,2,0,0,0,0|2,0,0]=4 1389 B8R0.7 C=CCCOCC(=O)N 34a_100011205117_100000187820 [0,2,0,0,0,0|2,0,0]=4 1390 B8R0.7 C=CCCOCC(=O)[O-] 34a_100011205117_100020667443 [0,2,0,0,0,0|1,0,1]=4 1391 B8R0.7 C=CCCSCC(=O)N 62a_100000747473_100000754431 [0,2,0,0,0,0|2,0,0]=4 1392 B8R0.7 C=CCCSCC(=O)N 62a_100000754431_100000747473 [0,2,0,0,0,0|2,0,0]=4 1393 B8R0.7 C=CCCSCC(=O)[O-] 62a_100000754431_100020667443 [0,2,0,0,0,0|1,0,1]=4 1394 B8R0.7 C=CCCSCC(=O)[O-] 62a_100020667443_100000754431 [0,2,0,0,0,0|1,0,1]=4 1395 B8R0.7 C=CCNCCC(=O)N 2230a_100020586998_100000744528 [0,2,0,0,0,0|2,0,0]=4 1396 B8R0.7 C=CCNOCC(=O)O 269956a_100000106656_100000210623 [0,2,0,0,0,0|1,0,0]=3 1397 B8R0.7 C=CCOCCC(=O)C 1458a_200011217002_200000210301 [0,2,0,0,0,0|2,0,0]=4 1398 B8R0.7 C=CCOCCC(=O)C 34a_100000759926_100015514636 [0,2,0,0,0,0|2,0,0]=4 1399 B8R0.7 C=CCOCCC(=O)C 7a_100000759926_100015514636 [0,2,0,0,0,0|2,0,0]=4 1400 B8R0.7 C=CCOCCC(=O)N 34a_100000757172_100015514636 [0,2,0,0,0,0|2,0,0]=4 1401 B8R0.7 C=CCOCCC(=O)N 34a_200000210373_100000731001 [0,2,0,0,0,0|2,0,0]=4 1402 B8R0.7 C=CCOCCC(=O)N 7a_100000757172_100015514636 [0,2,0,0,0,0|2,0,0]=4 1403 B8R0.7 C=CCOCCC(=O)[13CH3] 1458a_200011217002_200025704644 [0,2,0,0,0,0|2,0,0]=4 1404 B8R0.7 C=CCOCOC(=O)C 34a_200000210373_100009813279 [0,2,0,0,0,0|2,0,0]=4 1405 B8R0.7 C=CCSCCC(=O)C 62a_100000053229_100000210623 [0,2,0,0,0,0|2,0,0]=4 1406 B8R0.7 C=CCSCCC(=O)C 62a_100000210623_100000053229 [0,2,0,0,0,0|2,0,0]=4 1407 B8R0.7 C=CCSCCC(=O)N 62a_100000210623_100000744528 [0,2,0,0,0,0|2,0,0]=4 1408 B8R0.7 C=CCSCCC(=O)N 62a_100000744528_100000210623 [0,2,0,0,0,0|2,0,0]=4 1409 B8R0.7 C=CCSCOC(=O)C 62a_100000076356_100000210623 [0,2,0,0,0,0|2,0,0]=4 1410 B8R0.7 C=CCSCOC(=O)C 62a_100000210623_100000076356 [0,2,0,0,0,0|2,0,0]=4 1411 B8R0.7 CC#CCNCC(=O)O 269956a_100016091260_100000748600 [0,2,0,0,0,0|1,0,1]=4 1412 B8R0.7 CC(=CCNCC=O)C 34a_100000718196_200009817547 [0,2,0,0,0,0|2,0,0]=4 1413 B8R0.7 CC(=CCOCC=O)C 34a_100000753907_200009817547 [0,2,0,0,0,0|2,0,0]=4 1414 B8R0.7 CC(=CCSCC=O)C 62a_100000761012_200015260668 [0,2,0,0,0,0|2,0,0]=4 1415 B8R0.7 CC(=CCSCC=O)C 62a_200015260668_100000761012 [0,2,0,0,0,0|2,0,0]=4 1416 B8R0.7 CC(=O)CCOCC=O 34a_100000759926_200009817547 [0,2,0,0,0,0|1,0,0]=3 1417 B8R0.7 CC(=O)CCOCC=O 7a_100000759926_200015260668 [0,2,0,0,0,0|1,0,0]=3 1418 B8R0.7 CC(=O)CCSCC=O 62a_100000053229_200015260668 [0,2,0,0,0,0|1,0,0]=3 1419 B8R0.7 CC(=O)CCSCC=O 62a_200015260668_100000053229 [0,2,0,0,0,0|1,0,0]=3 1420 B8R0.7 CC(=O)OCSCC=O 62a_100000076356_200015260668 [0,2,0,0,0,0|1,0,0]=3 1421 B8R0.7 CC(=O)OCSCC=O 62a_200015260668_100000076356 [0,2,0,0,0,0|1,0,0]=3 1422 B8R0.7 CC(O)CCNCC=O 2230a_200000755665_200015260668 [0,2,0,0,0,0|1,0,1]=4 1423 B8R0.7 CC(O)CCSCC=O 62a_100012276601_200015260668 [0,2,0,0,0,0|1,0,1]=4 1424 B8R0.7 CC(O)CCSCC=O 62a_200015260668_100012276601 [0,2,0,0,0,0|1,0,1]=4 1425 B8R0.7 CC/C=C\CCC(=O)C 1458a_100000070787_100015370543 [0,2,0,0,0,0|2,0,0]=4 1426 B8R0.7 CC=CCNCC(=O)N 2230a_100000711301_100000070051 [0,2,0,0,0,0|2,0,0]=4 1427 B8R0.7 CC=CCOCC(=O)C 34a_100000211253_100000070051 [0,2,0,0,0,0|2,0,0]=4 1428 B8R0.7 CC=CCSCC(=O)N 62a_100000070051_100000747473 [0,2,0,0,0,0|2,0,0]=4 1429 B8R0.7 CC=CCSCC(=O)N 62a_100000747473_100000070051 [0,2,0,0,0,0|2,0,0]=4 1430 B8R0.7 CC=CCSCC(=O)[O-] 62a_100000070051_100020667443 [0,2,0,0,0,0|1,0,1]=4 1431 B8R0.7 CC=CCSCC(=O)[O-] 62a_100020667443_100000070051 [0,2,0,0,0,0|1,0,1]=4 1432 B8R0.7 CCCCNCC(=O)O 269956a_100016091260_100000210211 [0,2,0,0,0,0|1,0,1]=4 1433 B8R0.7 CCCNOCC(=O)O 269956a_100000106656_100000210207 [0,2,0,0,0,0|1,0,1]=4 1434 B8R0.7 CCOCNCC(=O)O 269956a_100016091260_100000739092 [0,2,0,0,0,0|1,0,1]=4 1435 B8R0.7 CNCCOCC(=O)O 269956a_100000700818_200000210301 [0,2,0,0,0,0|1,0,1]=4 1436 B8R0.7 COCCNCC(=O)O 269956a_100016091260_100000233755 [0,2,0,0,0,0|0,0,2]=4 1437 B8R0.7 COCNOCC(=O)O 269956a_100000106656_100000766300 [0,2,0,0,0,0|2,0,0]=4 1438 B8R0.7 CSCCNCC(=O)O 269956a_100016091260_100000212216 [0,2,0,0,0,0|0,1,1]=4 1439 B8R0.7 CSCNOCC(=O)O 269956a_100000106656_100011218213 [0,2,0,0,0,0|2,0,0]=4 1440 B8R0.7 N#CCCNCC(=O)O 269956a_100016091260_100011215226 [0,2,0,0,0,0|1,0,1]=4 1441 B8R0.7 N#CCNOCC(=O)O 269956a_100000106656_100011215382 [0,2,0,0,0,0|1,0,1]=4 1442 B8R0.7 N#CSCNCC(=O)O 269956a_100016091260_100000211825 [0,2,0,0,0,0|1,0,1]=4 1443 B8R0.7 NC(=O)CCOCC=O 34a_100000757172_200009817547 [0,2,0,0,0,0|1,0,0]=3 1444 B8R0.7 NC(=O)CCOCC=O 7a_100000757172_200015260668 [0,2,0,0,0,0|1,0,0]=3 1445 B8R0.7 NC(=O)CCSCC=O 62a_100000744528_200015260668 [0,2,0,0,0,0|1,0,0]=3 1446 B8R0.7 NC(=O)CCSCC=O 62a_200015260668_100000744528 [0,2,0,0,0,0|1,0,0]=3 1447 B8R0.7 O=C(O)CNCCCF 269956a_100016091260_100011934791 [0,2,0,0,0,0|1,0,1]=4 1448 B8R0.7 O=C(O)CNCCCO 269956a_100016091260_100011215043 [0,2,0,0,0,0|0,0,2]=4 1449 B8R0.7 O=C(O)CONCCF 269956a_100000106656_100011217306 [0,2,0,0,0,0|1,0,1]=4 1450 B8R0.7 O=C(O)CONCCO 269956a_100000106656_100000211926 [0,2,0,0,0,0|0,0,2]=4 1451 B8R0.7 O=CCNOCC(=O)O 269956a_100000106656_200015260668 [0,2,0,0,0,0|0,0,0]=2 1452 B8R0.7 [13CH3]NCCOCC(=O)O 269956a_100000700818_200025704644 [0,2,0,0,0,0|1,0,1]=4 1453 B8R0.21 CC(C)(O)CNCC=O 2230a_100000751335_200015260668 [0,2,0,0,0,0|1,0,1]=4 1454 B8R0.21 CC(C)(O)CSCC=O 62a_100000764493_200015260668 [0,2,0,0,0,0|1,0,1]=4 1455 B8R0.21 CC(C)(O)CSCC=O 62a_200015260668_100000764493 [0,2,0,0,0,0|1,0,1]=4 1456 B8R0.21 NS(=O)(=O)CSCC=O 62a_100000741382_200015260668 [0,2,0,0,0,0|1,0,1]=4 1457 B8R0.21 NS(=O)(=O)CSCC=O 62a_200015260668_100000741382 [0,2,0,0,0,0|1,0,1]=4 1458 B8R0.21 O=CCSCS(=O)(=O)[O-] 62a_100009817235_200015260668 [0,2,0,0,0,0|1,0,1]=4 1459 B8R0.21 O=CCSCS(=O)(=O)[O-] 62a_200015260668_100009817235 [0,2,0,0,0,0|1,0,1]=4 1460 B8R0.28 C=C(C)CNCC(=O)N 2230a_100000711301_100000748629 [0,2,0,0,0,0|2,0,0]=4 1461 B8R0.28 C=C(C)CNCC(=O)O 269956a_100016091260_100000748629 [0,2,0,0,0,0|1,0,0]=3 1462 B8R0.28 C=C(C)COCC(=O)C 34a_100000211253_100000748629 [0,2,0,0,0,0|2,0,0]=4 1463 B8R0.28 C=C(C)COCC(=O)N 34a_100000210245_100000187820 [0,2,0,0,0,0|2,0,0]=4 1464 B8R0.28 C=C(C)COCC(=O)[O-] 34a_100000210245_100020667443 [0,2,0,0,0,0|1,0,1]=4 1465 B8R0.28 C=C(C)CSCC(=O)N 62a_100000747473_100000211660 [0,2,0,0,0,0|2,0,0]=4 1466 B8R0.28 C=C(C)CSCC(=O)N 62a_100000748629_100000747473 [0,2,0,0,0,0|2,0,0]=4 1467 B8R0.28 C=C(C)CSCC(=O)[O-] 62a_100000748629_100020667443 [0,2,0,0,0,0|1,0,1]=4 1468 B8R0.28 C=C(C)CSCC(=O)[O-] 62a_100020667443_100000211660 [0,2,0,0,0,0|1,0,1]=4 1469 B8R0.28 C=C(F)CNCC(=O)N 2230a_100000711301_100009893438 [0,2,0,0,0,0|2,0,0]=4 1470 B8R0.28 C=C(F)CNCC(=O)O 269956a_100016091260_100000042424 [0,2,0,0,0,0|1,0,0]=3 1471 B8R0.28 C=C(F)COCC(=O)C 34a_100000211253_100009893438 [0,2,0,0,0,0|2,0,0]=4 1472 B8R0.28 C=C(F)COCC(=O)N 34a_200010262243_100000187820 [0,2,0,0,0,0|2,0,0]=4 1473 B8R0.28 C=C(F)COCC(=O)[O-] 34a_200010262243_100020667443 [0,2,0,0,0,0|1,0,1]=4 1474 B8R0.28 C=C(F)CSCC(=O)N 62a_100000042424_100000747473 [0,2,0,0,0,0|2,0,0]=4 1475 B8R0.28 C=C(F)CSCC(=O)N 62a_100000747473_100000042424 [0,2,0,0,0,0|2,0,0]=4 1476 B8R0.28 C=C(F)CSCC(=O)[O-] 62a_100000042424_100020667443 [0,2,0,0,0,0|1,0,1]=4 1477 B8R0.28 C=C(F)CSCC(=O)[O-] 62a_100020667443_100000042424 [0,2,0,0,0,0|1,0,1]=4 1478 B8R0.28 CC(=O)CCC=C(C)C 1458a_100000070787_100011217483 [0,2,0,0,0,0|2,0,0]=4 1479 B8R0.28 CC(=O)CCC=C(F)F 1458a_100000070787_200009816681 [0,2,0,0,0,0|2,0,0]=4 1480 B8R0.28 CC(=O)CCCC(=O)C 1458a_100000070787_100011215641 [0,2,0,0,0,0|1,0,0]=3 1481 B8R0.28 CC(=O)CCCC(=O)N 1458a_100000070787_100102525003 [0,2,0,0,0,0|1,0,0]=3 1482 B8R0.28 CC(=O)CCCC(C)O 1458a_100000070787_200000718107 [0,2,0,0,0,0|1,0,1]=4 1483 B8R0.28 CC(=O)CCC[N+](=O)[O-] 1458a_100016109205_200000210301 [0,2,0,0,0,0|1,0,1]=4 1484 B8R0.28 CC(=O)CCN=C(N)N 1458a_100000033030_200000210301 [0,2,0,0,0,0|2,0,0]=4 1485 B8R0.28 CC(=O)CCNC(=O)C 1458a_100000070787_100000189650 [0,2,0,0,0,0|1,0,0]=3 1486 B8R0.28 CC(=O)CCNC(=O)C 1458a_100000183196_200000210301 [0,2,0,0,0,0|1,0,0]=3 1487 B8R0.28 CC(=O)CCNC(=O)N 1458a_100000070787_200000034859 [0,2,0,0,0,0|1,0,0]=3 1488 B8R0.28 CC(=O)CCNC(=O)N 1458a_100000181464_200000210301 [0,2,0,0,0,0|1,0,0]=3 1489 B8R0.28 CC(=O)CCOC(=O)C 1458a_100000070787_100009814007 [0,2,0,0,0,0|1,0,0]=3 1490 B8R0.28 CC(=O)CCOC(=O)N 1458a_100000070787_200011214921 [0,2,0,0,0,0|1,0,0]=3 1491 B8R0.28 CC(=O)CCSC(=O)C 1458a_100000048949_200000210301 [0,2,0,0,0,0|1,0,0]=3 1492 B8R0.28 CC(=O)COCC(=O)N 1458a_100011219004_200000210301 [0,2,0,0,0,0|1,0,0]=3 1493 B8R0.28 CC(=O)COCC(=O)N 34a_100000211253_100000187820 [0,2,0,0,0,0|1,0,0]=3 1494 B8R0.28 CC(=O)COCC(=O)[O-] 34a_100000211253_100020667443 [0,2,0,0,0,0|0,0,1]=3 1495 B8R0.28 CC(=O)COCC(C)O 34a_100000211253_100011218427 [0,2,0,0,0,0|1,0,1]=4 1496 B8R0.28 CC(=O)COC[C@@H](C)O 34a_100000211253_100009817552 [0,2,0,0,0,0|1,0,1]=4 1497 B8R0.28 CC(=O)COC[N+](=O)[O-] 34a_100000211253_100000761209 [0,2,0,0,0,0|1,0,1]=4 1498 B8R0.28 CC(=O)NCCC(=O)N 11a_100000740010_100015343762 [0,2,0,0,0,0|1,0,0]=3 1499 B8R0.28 CC(=O)NCCC(=O)N 240690a_100000740010_100015343762 [0,2,0,0,0,0|1,0,0]=3 1500 B8R0.28 CC(=O)NCCC(=O)N 527a_100000740010_100103153847 [0,2,0,0,0,0|1,0,0]=3 1501 B8R0.28 CC(=O)NCCC(=O)[13CH3] 1458a_100000183196_200025704644 [0,2,0,0,0,0|1,0,0]=3 1502 B8R0.28 CC(=O)NCCC(C)O 240690a_200000755665_100015343762 [0,2,0,0,0,0|1,0,1]=4 1503 B8R0.28 CC(=O)NCCC(C)O 527a_200000755665_100103153847 [0,2,0,0,0,0|1,0,1]=4 1504 B8R0.28 CC(=O)SCCC(=O)[13CH3] 1458a_100000048949_200025704644 [0,2,0,0,0,0|1,0,0]=3 1505 B8R0.28 CC(C)CNCC(=O)O 269956a_100016091260_100000210760 [0,2,0,0,0,0|1,0,1]=4 1506 B8R0.28 CC(O)CNCC(=O)N 2230a_100000210904_100000747473 [0,2,0,0,0,0|1,0,1]=4 1507 B8R0.28 CC(O)CNCC(=O)N 2230a_100000711301_100011218427 [0,2,0,0,0,0|1,0,1]=4 1508 B8R0.28 CC(O)CNCC(=O)N 34a_100000210904_100000187820 [0,2,0,0,0,0|1,0,1]=4 1509 B8R0.28 CC(O)CNCC(=O)O 269956a_100016091260_100011218427 [0,2,0,0,0,0|0,0,2]=4 1510 B8R0.28 CC(O)CNCC(=O)[O-] 34a_100000210904_100020667443 [0,2,0,0,0,0|1,0,1]=4 1511 B8R0.28 CC(O)CSCC(=O)N 62a_100000747473_100011218427 [0,2,0,0,0,0|1,0,1]=4 1512 B8R0.28 CC(O)CSCC(=O)N 62a_100011218427_100000747473 [0,2,0,0,0,0|1,0,1]=4 1513 B8R0.28 CC(O)CSCC(=O)[O-] 62a_100011218427_100020667443 [0,2,0,0,0,0|1,0,1]=4 1514 B8R0.28 CC(O)CSCC(=O)[O-] 62a_100020667443_100011218427 [0,2,0,0,0,0|1,0,1]=4 1515 B8R0.28 CN(C)CCCC(=O)O 269956a_100000719178_200000210301 [0,2,0,0,0,0|1,0,1]=4 1516 B8R0.28 CN([13CH3])CCCC(=O)O 269956a_100000719178_200025704644 [0,2,0,0,0,0|1,0,1]=4 1517 B8R0.28 C[C@@H](O)CNCC(=O)N 2230a_100000711301_100009817552 [0,2,0,0,0,0|1,0,1]=4 1518 B8R0.28 C[C@@H](O)CNCC(=O)O 269956a_100016091260_100009817552 [0,2,0,0,0,0|0,0,2]=4 1519 B8R0.28 C[C@@H](O)CSCC(=O)N 62a_100000747473_100009817552 [0,2,0,0,0,0|1,0,1]=4 1520 B8R0.28 C[C@@H](O)CSCC(=O)N 62a_100009817552_100000747473 [0,2,0,0,0,0|1,0,1]=4 1521 B8R0.28 C[C@@H](O)CSCC(=O)[O-] 62a_100009817552_100020667443 [0,2,0,0,0,0|1,0,1]=4 1522 B8R0.28 C[C@@H](O)CSCC(=O)[O-] 62a_100020667443_100009817552 [0,2,0,0,0,0|1,0,1]=4 1523 B8R0.28 NC(=O)CNCC(=O)N 2230a_100000711301_100000747473 [0,2,0,0,0,0|1,0,0]=3 1524 B8R0.28 NC(=O)CNCC(=O)O 269956a_100016091260_100000187820 [0,2,0,0,0,0|0,0,0]=2 1525 B8R0.28 NC(=O)CSCC(=O)N 62a_100000747473_100000747473 [0,2,0,0,0,0|1,0,0]=3 1526 B8R0.28 NC(=O)CSCC(=O)[O-] 62a_100000747473_100020667443 [0,2,0,0,0,0|0,0,1]=3 1527 B8R0.28 NC(=O)CSCC(=O)[O-] 62a_100020667443_100000747473 [0,2,0,0,0,0|0,0,1]=3 1528 B8R0.28 NC(=O)CSC[N+](=O)[O-] 62a_100000747473_100000761209 [0,2,0,0,0,0|1,0,1]=4 1529 B8R0.28 O=C(O)CNCC(F)F 269956a_100016091260_100011934356 [0,2,0,0,0,0|1,0,1]=4 1530 B8R0.28 O=C(O)CNC[N+](=O)[O-] 269956a_100016091260_100000761209 [0,2,0,0,0,0|1,0,0]=3 1531 B8R0.28 O=C([O-])CNCC(=O)O 269956a_100016091260_100020667443 [0,2,0,0,0,0|0,0,0]=2 1532 B8R0.28 O=C([O-])CSCC(=O)[O-] 62a_100020667443_100020667443 [0,2,0,0,0,0|0,0,1]=3 1533 B8R0.28 O=C([O-])CSC[N+](=O)[O-] 62a_100020667443_100000761209 [0,2,0,0,0,0|1,0,1]=4 1534 B8R0.28 [13CH3]C(=O)CCC[N+](=O)[O-] 1458a_100016109205_200025704644 [0,2,0,0,0,0|1,0,1]=4 1535 B8R0.28 [13CH3]C(=O)CCN=C(N)N 1458a_100000033030_200025704644 [0,2,0,0,0,0|2,0,0]=4 1536 B8R0.28 [13CH3]C(=O)CCNC(=O)N 1458a_100000181464_200025704644 [0,2,0,0,0,0|1,0,0]=3 1537 B8R0.28 [13CH3]C(=O)COCC(=O)N 1458a_100011219004_200025704644 [0,2,0,0,0,0|1,0,0]=3 1538 B8R0.12 C=CCC(C)(C)C(=O)C 1458a_100000705796_200000210301 [0,2,0,0,0,0|2,0,0]=4 1539 B8R0.12 C=CCC(C)(C)C(=O)[13CH3] 1458a_100000705796_200025704644 [0,2,0,0,0,0|2,0,0]=4 1540 B8R0.12 C=CCC(F)(F)C(=O)C 1458a_100000062105_200000210301 [0,2,0,0,0,0|2,0,0]=4 1541 B8R0.12 C=CCC(F)(F)C(=O)[13CH3] 1458a_100000062105_200025704644 [0,2,0,0,0,0|2,0,0]=4 1542 B8R0.12 CC(C)(CN[13CH3])C(=O)O 269956a_100000693527_200025704644 [0,2,0,0,0,0|2,0,0]=4 1543 B8R0.12 CNCC(C)(C)C(=O)O 269956a_100000693527_200000210301 [0,2,0,0,0,0|2,0,0]=4 1544 B8R0.12 CNCC(F)(F)C(=O)O 269956a_100000734215_200000210301 [0,2,0,0,0,0|2,0,0]=4 1545 B8R0.12 [13CH3]NCC(F)(F)C(=O)O 269956a_100000734215_200025704644 [0,2,0,0,0,0|2,0,0]=4 1546 B8R0.15 CCC[C@H](NC)C(=O)O 269956a_100000750406_200000210301 [0,2,0,0,0,0|1,0,1]=4 1547 B8R0.15 CCC[C@H](N[13CH3])C(=O)O 269956a_100000750406_200025704644 [0,2,0,0,0,0|1,0,1]=4 1548 B8R0.15 CN[C@@H](CSC)C(=O)O 269956a_100011421858_200000210301 [0,2,0,0,0,0|2,0,0]=4 1549 B8R0.15 CN[C@@H](C[Se]C)C(=O)O 269956a_100015254316_200000210301 [0,2,0,0,0,0|2,0,0]=4 1550 B8R0.15 CN[C@H](COC)C(=O)O 269956a_100011998655_200000210301 [0,2,0,0,0,0|2,0,0]=4 1551 B8R0.15 COC[C@@H](N[13CH3])C(=O)O 269956a_100011998655_200025704644 [0,2,0,0,0,0|2,0,0]=4 1552 B8R0.15 CSC[C@H](N[13CH3])C(=O)O 269956a_100011421858_200025704644 [0,2,0,0,0,0|2,0,0]=4 1553 B8R0.15 C[Se]C[C@H](N[13CH3])C(=O)O 269956a_100015254316_200025704644 [0,2,0,0,0,0|2,0,0]=4 1554 B8R0.29 CC(=O)CCS(=O)(=O)C 1458a_100000070787_100000731031 [0,2,0,0,0,0|1,0,1]=4 1555 B8R0.29 CC(=O)CCS(=O)(=O)C 1458a_100000737124_200000210301 [0,2,0,0,0,0|1,0,1]=4 1556 B8R0.29 CC(=O)CCS(=O)(=O)N 1458a_100000737202_200000210301 [0,2,0,0,0,0|1,0,1]=4 1557 B8R0.29 CC(=O)CCS(=O)(=O)[O-] 1458a_100000070787_100000762736 [0,2,0,0,0,0|1,0,1]=4 1558 B8R0.29 CS(=O)(=O)CCC(=O)[13CH3] 1458a_100000737124_200025704644 [0,2,0,0,0,0|1,0,1]=4 1559 B8R0.29 [13CH3]C(=O)CCS(=O)(=O)N 1458a_100000737202_200025704644 [0,2,0,0,0,0|1,0,1]=4 1560 B6R1.11 CC(=O)C1CC1 1458a_100000210395_200000210301 [1,0,0,1,0,0|1,0,1]=4 1561 B6R1.11 CC(=O)C1CO1 1458a_100000701028_200000210301 [1,0,0,1,0,0|1,0,1]=4 1562 B6R1.11 [13CH3]C(=O)C1CC1 1458a_100000210395_200025704644 [1,0,0,1,0,0|1,0,1]=4 1563 B6R1.11 [13CH3]C(=O)C1CO1 1458a_100000701028_200025704644 [1,0,0,1,0,0|1,0,1]=4 1564 B8R1.1 CNC1COC(=O)O1 34a_100102657272_100000032252 [0,1,0,1,0,0|2,0,0]=4 1565 B8R1.1 COC1CCC(=O)C1 34a_100012614533_200000210301 [0,1,0,1,0,0|1,0,1]=4 1566 B8R1.1 COC1COC(=O)O1 34a_100138415774_100000032252 [0,1,0,1,0,0|2,0,0]=4 1567 B8R1.1 CSC1COC(=O)O1 62a_200000210301_100000032252 [0,1,0,1,0,0|2,0,0]=4 1568 B8R1.1 [13CH3]OC1CCC(=O)C1 34a_100012614533_200025704644 [0,1,0,1,0,0|1,0,1]=4 1569 B8R1.1 [13CH3]SC1COC(=O)O1 62a_200025704644_100000032252 [0,1,0,1,0,0|2,0,0]=4 1570 B8R1.31 CC(=O)C1CCC1=O 1458a_100000070787_100009892977 [0,1,0,1,0,0|1,0,0]=3 1571 B8R1.31 CN1CCC1C(=O)O 269956a_100000021838_200000210301 [0,1,0,1,0,0|1,0,1]=4 1572 B8R1.31 [13CH3]N1CCC1C(=O)O 269956a_100000021838_200025704644 [0,1,0,1,0,0|1,0,1]=4 1573 B8R1.40 O=C(CO)CC1CC1 1458a_100000210174_100000742324 [0,1,0,1,0,0|1,0,1]=4 1574 B8R1.40 O=C(CO)CC1CO1 1458a_100000210174_100011216344 [0,1,0,1,0,0|0,0,2]=4 1575 B8R1.40 O=C(CO)CC1CS1 1458a_100000210174_100000031435 [0,1,0,1,0,0|0,1,1]=4 1576 B8R1.40 O=C(CO)C[C@@H]1CO1 1458a_100000210174_100000745022 [0,1,0,1,0,0|0,0,2]=4 1577 B8R1.83 COC(=O)C1CN1C 2230a_200009830135_200000210301 [0,1,0,1,0,0|2,0,0]=4 1578 B8R1.83 COC(=O)C1CN1[13CH3] 2230a_200009830135_200025704644 [0,1,0,1,0,0|2,0,0]=4 1579 B8R1.38 O=C(CO)C1CCC1 1458a_100000210174_100000749161 [0,1,0,1,0,0|1,0,1]=4 1580 B8R1.38 O=C(CO)C1COC1 1458a_100000210174_100000687716 [0,1,0,1,0,0|2,0,0]=4 1581 B8R1.6 O=CCN1CC(C1)O 269982a_100000749847_200015260668 [0,1,0,1,0,0|1,0,1]=4 1582 B8R1.7 CC(=O)C1CC=CC1 1458a_100000759439_200000210301 [0,1,0,1,0,0|2,0,0]=4 1583 B8R1.7 [13CH3]C(=O)C1CC=CC1 1458a_100000759439_200025704644 [0,1,0,1,0,0|2,0,0]=4 1584 B8R1.35 CC(=O)CCC1CO1 1458a_100000070787_100000732470 [0,1,0,1,0,0|1,0,1]=4 1585 B8R1.35 O=C(O)CNC1CC1 269956a_100016091260_100000211595 [0,1,0,1,0,0|1,0,1]=4 1586 B8R1.36 O=CCOC[C@@H]1CO1 34a_100000757423_200009817547 [0,1,0,1,0,0|1,0,1]=4 1587 B8R1.36 O=CCSCC1CO1 62a_102125554688_200015260668 [0,1,0,1,0,0|1,0,1]=4 1588 B8R1.36 O=CCSCC1CO1 62a_200015260668_102125554688 [0,1,0,1,0,0|1,0,1]=4 1589 B8R1.36 O=CCSC[C@@H]1CO1 62a_100000745022_200015260668 [0,1,0,1,0,0|1,0,1]=4 1590 B8R1.36 O=CCSC[C@@H]1CO1 62a_200015260668_100000745022 [0,1,0,1,0,0|1,0,1]=4 1591 B8R1.23 C=C1CC(C1)C(=O)C 1458a_100000065620_200000210301 [0,1,0,1,0,0|2,0,0]=4 1592 B8R1.23 C=C1CC(C1)C(=O)[13CH3] 1458a_100000065620_200025704644 [0,1,0,1,0,0|2,0,0]=4 1593 B8R1.23 CC(=O)[C@@H]1CC(=O)N1 1458a_100016090685_200000210301 [0,1,0,1,0,0|1,0,0]=3 1594 B8R1.23 CC(=O)[C@H]1C[C@H](C1)O 1458a_100015266633_200000210301 [0,1,0,1,0,0|1,0,1]=4 1595 B8R1.23 [13CH3]C(=O)[C@@H]1CC(=O)N1 1458a_100016090685_200025704644 [0,1,0,1,0,0|1,0,0]=3 1596 B8R1.23 [13CH3]C(=O)[C@H]1C[C@H](C1)O 1458a_100015266633_200025704644 [0,1,0,1,0,0|1,0,1]=4