0 B7R1.2 CN1CNC(=O)C1 2230a_200000708111_200000210301 [0,0,0,0,0,0|4,0,0]=4 1 B7R1.2 Cc1nnc(o1)O 271570a_203496583355_100000708914 [0,0,0,0,0,0|3,0,1]=4 2 B7R1.2 [13CH3]N1CNC(=O)C1 2230a_200000708111_200025704644 [0,0,0,0,0,0|4,0,0]=4 3 B6R1.2 Oc1ccco1 271570a_203496583355_100009814098 [1,0,0,0,0,0|0,0,3]=4 4 B6R1.2 Oc1cnco1 271570a_203496583355_100020591547 [1,0,0,0,0,0|1,0,2]=4 5 B6R1.2 Oc1ncco1 271570a_203496583355_100011787736 [1,0,0,0,0,0|1,0,2]=4 6 B8R1.1 CNC1COC(=O)O1 34a_100102657272_100000032252 [0,1,0,0,0,0|2,0,1]=4 7 B8R1.1 COC1CCC(=O)C1 34a_100012614533_200000210301 [0,1,0,0,0,0|1,0,2]=4 8 B8R1.1 COC1COC(=O)O1 34a_100138415774_100000032252 [0,1,0,0,0,0|1,0,2]=4 9 B8R1.1 CSC1COC(=O)O1 62a_200000210301_100000032252 [0,1,0,0,0,0|1,1,1]=4 10 B8R1.1 O=Cc1ccc(o1)O 271570a_203496583355_100000185145 [0,1,0,0,0,0|0,0,3]=4 11 B8R1.1 [13CH3]OC1CCC(=O)C1 34a_100012614533_200025704644 [0,1,0,0,0,0|1,0,2]=4 12 B8R1.1 [13CH3]SC1COC(=O)O1 62a_200025704644_100000032252 [0,1,0,0,0,0|1,1,1]=4 13 B6R0.1 C#CCC(=O)CC 1458a_100000210414_100000184674 [0,0,1,0,0,0|2,0,1]=4 14 B6R0.1 C#CCC(=O)CC 1458a_100011220946_100000210202 [0,0,1,0,0,0|2,0,1]=4 15 B6R0.1 C=CCC(=O)CC 1458a_100000210193_100000210202 [0,0,1,0,0,0|2,0,0]=3 16 B6R0.1 C=CCC(=O)CC 1458a_100000210414_100000210623 [0,0,1,0,0,0|2,0,0]=3 17 B6R0.1 C=CCC(=O)CF 1458a_100000210193_100015361967 [0,0,1,0,0,0|3,0,0]=4 18 B6R0.1 C=CCC(=O)CO 1458a_100000210174_100000210623 [0,0,1,0,0,0|3,0,0]=4 19 B6R0.1 C=CCC(=O)NC 11a_106832991635_100000210193 [0,0,1,0,0,0|3,0,0]=4 20 B6R0.1 C=CCC(=O)NC 1626a_100102657272_100000210193 [0,0,1,0,0,0|3,0,0]=4 21 B6R0.1 C=CCC(=O)NC 240690a_100102657272_100000210193 [0,0,1,0,0,0|3,0,0]=4 22 B6R0.1 C=CCC(=O)NC 527a_100102657272_100000210193 [0,0,1,0,0,0|3,0,0]=4 23 B6R0.1 CC#CC(=O)CC 1458a_100000763181_100000210202 [0,0,1,0,0,0|2,0,1]=4 24 B6R0.1 CC=CC(=O)CC 1458a_100000210699_100000210202 [0,0,1,0,0,0|2,0,0]=3 25 B6R0.1 CC=CC(=O)CF 1458a_100000210699_100015361967 [0,0,1,0,0,0|3,0,0]=4 26 B6R0.1 CC=CC(=O)NC 11a_106832991635_100000210699 [0,0,1,0,0,0|3,0,0]=4 27 B6R0.1 CC=CC(=O)NC 1626a_100102657272_100000210699 [0,0,1,0,0,0|3,0,0]=4 28 B6R0.1 CC=CC(=O)NC 240690a_100102657272_100000210699 [0,0,1,0,0,0|3,0,0]=4 29 B6R0.1 CCC(=O)C=CBr 1458a_100016273825_100000210202 [0,0,1,0,0,0|2,0,0]=3 30 B6R0.1 CCC(=O)C=CCl 1458a_200016279998_100000210202 [0,0,1,0,0,0|2,0,0]=3 31 B6R0.1 CCC(=O)C=CI 1458a_100016256311_100000210202 [0,0,1,0,0,0|2,0,0]=3 32 B6R0.1 CCC(=O)CC#N 1458a_100000210414_100011214920 [0,0,1,0,0,0|2,0,1]=4 33 B6R0.1 CCC(=O)CC#N 1458a_100051588842_100000210202 [0,0,1,0,0,0|2,0,1]=4 34 B6R0.1 CCC(=O)CCF 1458a_100000210414_100011217306 [0,0,1,0,0,0|2,0,1]=4 35 B6R0.1 CCC(=O)CCO 1458a_100000210414_100000211926 [0,0,1,0,0,0|1,0,2]=4 36 B6R0.1 CCC(=O)CCO 1458a_100011216618_100000210202 [0,0,1,0,0,0|1,0,2]=4 37 B6R0.1 CCC(=O)CNC 7a_106832991635_100000747405 [0,0,1,0,0,0|3,0,0]=4 38 B6R0.1 CCC(=O)COC 1458a_100000210968_100000210202 [0,0,1,0,0,0|3,0,0]=4 39 B6R0.1 CCC(=O)COC 34a_100000725409_200000210301 [0,0,1,0,0,0|3,0,0]=4 40 B6R0.1 CCC(=O)CO[13CH3] 34a_100000725409_200025704644 [0,0,1,0,0,0|3,0,0]=4 41 B6R0.1 CCC(=O)CSC 1458a_100000184570_100000210202 [0,0,1,0,0,0|3,0,0]=4 42 B6R0.1 CCC(=O)CSC 62a_100000747405_200000210301 [0,0,1,0,0,0|3,0,0]=4 43 B6R0.1 CCC(=O)CSC 62a_200000210301_100000747405 [0,0,1,0,0,0|3,0,0]=4 44 B6R0.1 CCC(=O)CS[13CH3] 62a_100000747405_200025704644 [0,0,1,0,0,0|3,0,0]=4 45 B6R0.1 CCC(=O)CS[13CH3] 62a_200025704644_100000747405 [0,0,1,0,0,0|3,0,0]=4 46 B6R0.1 CCC(=O)NNC 22a_100016993582_100000210414 [0,0,1,0,0,0|3,0,0]=4 47 B6R0.1 CCCC(=O)CC 1458a_100000210414_100000210303 [0,0,1,0,0,0|2,0,1]=4 48 B6R0.1 CCCC(=O)CC 1458a_100000211992_100000210202 [0,0,1,0,0,0|2,0,1]=4 49 B6R0.1 CCN(C)CC=O 2230a_100000225621_200015260668 [0,0,1,0,0,0|3,0,0]=4 50 B6R0.1 CCN(C)CC=O 269982a_100000225621_200015260668 [0,0,1,0,0,0|3,0,0]=4 51 B6R0.1 CCNC(=O)CC 11a_100015525214_100000210414 [0,0,1,0,0,0|2,0,1]=4 52 B6R0.1 CCNC(=O)CC 240690a_100015525214_100000210414 [0,0,1,0,0,0|2,0,1]=4 53 B6R0.1 CCNC(=O)CC 527a_100015525214_100000210414 [0,0,1,0,0,0|2,0,1]=4 54 B6R0.1 CNC(=O)C=CBr 1626a_100102657272_100016273825 [0,0,1,0,0,0|3,0,0]=4 55 B6R0.1 CNC(=O)C=CBr 240690a_100102657272_100016273825 [0,0,1,0,0,0|3,0,0]=4 56 B6R0.1 CNC(=O)C=CCl 11a_106832991635_200016279998 [0,0,1,0,0,0|3,0,0]=4 57 B6R0.1 CNC(=O)C=CCl 1626a_100102657272_200016279998 [0,0,1,0,0,0|3,0,0]=4 58 B6R0.1 CNC(=O)C=CCl 240690a_100102657272_200016279998 [0,0,1,0,0,0|3,0,0]=4 59 B6R0.1 CNC(=O)C=CI 1626a_100102657272_100016256311 [0,0,1,0,0,0|3,0,0]=4 60 B6R0.1 O=C(C=CBr)CF 1458a_100016273825_100015361967 [0,0,1,0,0,0|3,0,0]=4 61 B6R0.1 O=C(C=CCl)CF 1458a_200016279998_100015361967 [0,0,1,0,0,0|3,0,0]=4 62 B6R0.1 O=C(C=CI)CF 1458a_100016256311_100015361967 [0,0,1,0,0,0|3,0,0]=4 63 B6R0.2 C=C(C)CC(=O)C 1458a_100000070787_100000748629 [0,0,1,0,0,0|2,0,0]=3 64 B6R0.2 C=C(F)CC(=O)C 1458a_100000070787_100009893438 [0,0,1,0,0,0|2,0,1]=4 65 B6R0.2 CC(=CC(=O)[13CH3])C 1458a_100000211388_200025704644 [0,0,1,0,0,0|2,0,0]=3 66 B6R0.2 CC(=CC(=O)[13CH3])Cl 1458a_200042562850_200025704644 [0,0,1,0,0,0|2,0,0]=3 67 B6R0.2 CC(=CC(=O)[13CH3])I 1458a_100025716642_200025704644 [0,0,1,0,0,0|2,0,0]=3 68 B6R0.2 CC(=O)C=C(C)C 1458a_100000211388_200000210301 [0,0,1,0,0,0|2,0,0]=3 69 B6R0.2 CC(=O)C=C(C)Cl 1458a_200042562850_200000210301 [0,0,1,0,0,0|2,0,0]=3 70 B6R0.2 CC(=O)C=C(C)I 1458a_100025716642_200000210301 [0,0,1,0,0,0|2,0,0]=3 71 B6R0.2 CC(=O)C=C(Cl)Cl 1458a_100000137448_200000210301 [0,0,1,0,0,0|3,0,0]=4 72 B6R0.2 CC(=O)CC(=O)N 1458a_100000070787_100000187820 [0,0,1,0,0,0|2,0,0]=3 73 B6R0.2 CC(=O)CC(=O)N 1458a_100134613110_200000210301 [0,0,1,0,0,0|2,0,0]=3 74 B6R0.2 CC(=O)CC(=O)[O-] 1458a_100000070787_100020667443 [0,0,1,0,0,0|2,0,0]=3 75 B6R0.2 CC(=O)CC(C)C 1458a_100000070787_100000210624 [0,0,1,0,0,0|2,0,1]=4 76 B6R0.2 CC(=O)CC(C)C 1458a_100000210554_200000210301 [0,0,1,0,0,0|2,0,1]=4 77 B6R0.2 CC(=O)CC(C)O 1458a_100000070787_100011218427 [0,0,1,0,0,0|1,0,2]=4 78 B6R0.2 CC(=O)CN(C)C 1458a_100000750896_200000210301 [0,0,1,0,0,0|3,0,0]=4 79 B6R0.2 CC(=O)C[C@@H](C)O 1458a_100011933948_200000210301 [0,0,1,0,0,0|1,0,2]=4 80 B6R0.2 CC(=O)C[N+](=O)[O-] 1458a_100000070787_100000761209 [0,0,1,0,0,0|3,0,0]=4 81 B6R0.2 CC(=O)C[S+](C)C 1458a_200159257847_200000210301 [0,0,1,0,0,0|3,0,0]=4 82 B6R0.2 CC(=O)NC(C)C 11a_100138425928_100015343762 [0,0,1,0,0,0|2,0,1]=4 83 B6R0.2 CC(=O)NC(C)C 1626a_100138425928_100015343762 [0,0,1,0,0,0|2,0,1]=4 84 B6R0.2 CC(=O)NC(C)C 240690a_100138425928_100015343762 [0,0,1,0,0,0|2,0,1]=4 85 B6R0.2 CC(=O)NC(C)C 527a_100138425928_100103153847 [0,0,1,0,0,0|2,0,1]=4 86 B6R0.2 CC(C)CC(=O)[13CH3] 1458a_100000210554_200025704644 [0,0,1,0,0,0|2,0,1]=4 87 B6R0.2 CN(C)CC(=O)[13CH3] 1458a_100000750896_200025704644 [0,0,1,0,0,0|3,0,0]=4 88 B6R0.2 C[C@@H](O)CC(=O)[13CH3] 1458a_100011933948_200025704644 [0,0,1,0,0,0|1,0,2]=4 89 B6R0.2 C[S+](C)CC(=O)[13CH3] 1458a_200159257847_200025704644 [0,0,1,0,0,0|3,0,0]=4 90 B6R0.2 [13CH3]C(=O)C=C(Cl)Cl 1458a_100000137448_200025704644 [0,0,1,0,0,0|3,0,0]=4 91 B6R0.2 [13CH3]C(=O)CC(=O)N 1458a_100134613110_200025704644 [0,0,1,0,0,0|2,0,0]=3 92 B6R0.4 C#CCCC(=O)C 1458a_100000070787_100000753159 [0,0,1,0,0,0|2,0,1]=4 93 B6R0.4 C#CCCC(=O)C 1458a_100000692101_200000210301 [0,0,1,0,0,0|2,0,1]=4 94 B6R0.4 C#CCCC(=O)[13CH3] 1458a_100000692101_200025704644 [0,0,1,0,0,0|2,0,1]=4 95 B6R0.4 C/C=C/CC(=O)C 1458a_100000070787_100102629194 [0,0,1,0,0,0|2,0,1]=4 96 B6R0.4 C=CCCC(=O)C 1458a_100000070787_100000754431 [0,0,1,0,0,0|2,0,0]=3 97 B6R0.4 C=CCCC(=O)C 1458a_100000749702_200000210301 [0,0,1,0,0,0|2,0,0]=3 98 B6R0.4 C=CCCC(=O)[13CH3] 1458a_100000749702_200025704644 [0,0,1,0,0,0|2,0,0]=3 99 B6R0.4 C=CCNC(=O)C 1626a_100020586998_100015343762 [0,0,1,0,0,0|3,0,0]=4 100 B6R0.4 C=CCNC(=O)C 240690a_100020586998_100015343762 [0,0,1,0,0,0|3,0,0]=4 101 B6R0.4 C=CCNC(=O)C 527a_100020586998_100103153847 [0,0,1,0,0,0|3,0,0]=4 102 B6R0.4 CC(=O)CCC#N 1458a_100000070787_100011215226 [0,0,1,0,0,0|2,0,1]=4 103 B6R0.4 CC(=O)CCC#N 1458a_100011934036_200000210301 [0,0,1,0,0,0|2,0,1]=4 104 B6R0.4 CC(=O)CCCF 1458a_100000070787_100011934791 [0,0,1,0,0,0|2,0,1]=4 105 B6R0.4 CC(=O)CCCO 1458a_100000070787_100011215043 [0,0,1,0,0,0|1,0,2]=4 106 B6R0.4 CC(=O)CCO[13CH3] 34a_100000759926_200025704644 [0,0,1,0,0,0|3,0,0]=4 107 B6R0.4 CC(=O)CCO[13CH3] 7a_100000759926_200025704644 [0,0,1,0,0,0|3,0,0]=4 108 B6R0.4 CC(=O)CCS[13CH3] 62a_100000053229_200025704644 [0,0,1,0,0,0|3,0,0]=4 109 B6R0.4 CC(=O)CCS[13CH3] 62a_200025704644_100000053229 [0,0,1,0,0,0|3,0,0]=4 110 B6R0.4 CC=CCC(=O)C 1458a_100000070787_100000070051 [0,0,1,0,0,0|2,0,1]=4 111 B6R0.4 CC=CCC(=O)C 1458a_100121576822_200000210301 [0,0,1,0,0,0|2,0,1]=4 112 B6R0.4 CC=CCC(=O)[13CH3] 1458a_100121576822_200025704644 [0,0,1,0,0,0|2,0,1]=4 113 B6R0.4 CCCCC(=O)C 1458a_100000070787_100000210211 [0,0,1,0,0,0|2,0,1]=4 114 B6R0.4 CCCCC(=O)C 1458a_100000210183_200000210301 [0,0,1,0,0,0|2,0,1]=4 115 B6R0.4 CCCCC(=O)[13CH3] 1458a_100000210183_200025704644 [0,0,1,0,0,0|2,0,1]=4 116 B6R0.4 CCNCC(=O)O 269956a_100016091260_100000210202 [0,0,1,0,0,0|2,0,1]=4 117 B6R0.4 CNCCC(=O)C 7a_106832991635_100000053229 [0,0,1,0,0,0|3,0,0]=4 118 B6R0.4 CNCCC(=O)N 2230a_106832991635_100000744528 [0,0,1,0,0,0|3,0,0]=4 119 B6R0.4 CNCCC(=O)N 34a_100102657272_100000731001 [0,0,1,0,0,0|3,0,0]=4 120 B6R0.4 CNCCC(=O)N 7a_106832991635_100000744528 [0,0,1,0,0,0|3,0,0]=4 121 B6R0.4 CNOCC(=O)O 269956a_100000106656_200000210301 [0,0,1,0,0,0|3,0,0]=4 122 B6R0.4 COCCC(=O)C 1458a_100000070787_100000233755 [0,0,1,0,0,0|3,0,0]=4 123 B6R0.4 COCCC(=O)C 1458a_100000749529_200000210301 [0,0,1,0,0,0|3,0,0]=4 124 B6R0.4 COCCC(=O)C 34a_100000759926_200000210301 [0,0,1,0,0,0|3,0,0]=4 125 B6R0.4 COCCC(=O)C 7a_100000759926_200000210301 [0,0,1,0,0,0|3,0,0]=4 126 B6R0.4 COCCC(=O)N 34a_100000757172_200000210301 [0,0,1,0,0,0|3,0,0]=4 127 B6R0.4 COCCC(=O)N 34a_100138415774_100000731001 [0,0,1,0,0,0|3,0,0]=4 128 B6R0.4 COCCC(=O)N 7a_100000757172_200000210301 [0,0,1,0,0,0|3,0,0]=4 129 B6R0.4 COCCC(=O)[13CH3] 1458a_100000749529_200025704644 [0,0,1,0,0,0|3,0,0]=4 130 B6R0.4 CSCCC(=O)C 1458a_100000070787_100000751147 [0,0,1,0,0,0|3,0,0]=4 131 B6R0.4 CSCCC(=O)C 1458a_100000174002_200000210301 [0,0,1,0,0,0|3,0,0]=4 132 B6R0.4 CSCCC(=O)C 62a_100000053229_200000210301 [0,0,1,0,0,0|3,0,0]=4 133 B6R0.4 CSCCC(=O)C 62a_200000210301_100000053229 [0,0,1,0,0,0|3,0,0]=4 134 B6R0.4 CSCCC(=O)N 62a_100000744528_200000210301 [0,0,1,0,0,0|3,0,0]=4 135 B6R0.4 CSCCC(=O)N 62a_200000210301_100000744528 [0,0,1,0,0,0|3,0,0]=4 136 B6R0.4 CSCCC(=O)[13CH3] 1458a_100000174002_200025704644 [0,0,1,0,0,0|3,0,0]=4 137 B6R0.4 O=C(O)CNCF 269956a_100016091260_100015361967 [0,0,1,0,0,0|2,0,1]=4 138 B6R0.4 [13CH3]C(=O)CCC#N 1458a_100011934036_200025704644 [0,0,1,0,0,0|2,0,1]=4 139 B6R0.4 [13CH3]NOCC(=O)O 269956a_100000106656_200025704644 [0,0,1,0,0,0|3,0,0]=4 140 B6R0.4 [13CH3]OCCC(=O)N 34a_100000757172_200025704644 [0,0,1,0,0,0|3,0,0]=4 141 B6R0.4 [13CH3]OCCC(=O)N 7a_100000757172_200025704644 [0,0,1,0,0,0|3,0,0]=4 142 B6R0.4 [13CH3]SCCC(=O)N 62a_100000744528_200025704644 [0,0,1,0,0,0|3,0,0]=4 143 B6R0.4 [13CH3]SCCC(=O)N 62a_200025704644_100000744528 [0,0,1,0,0,0|3,0,0]=4 144 B8R1.4 CN1CCNC(=O)C1 2230a_100000184651_200000210301 [0,0,0,0,0,1|3,0,0]=4 145 B8R1.4 CN1CCOC(=O)C1 2230a_100000131268_200000210301 [0,0,0,0,0,1|3,0,0]=4 146 B8R1.4 [13CH3]N1CCNC(=O)C1 2230a_100000184651_200025704644 [0,0,0,0,0,1|3,0,0]=4 147 B8R1.4 [13CH3]N1CCOC(=O)C1 2230a_100000131268_200025704644 [0,0,0,0,0,1|3,0,0]=4 148 B5R0.1 C=CCC(=O)C 1458a_100000070787_100000210623 [1,0,1,0,0,0|1,0,1]=4 149 B5R0.1 C=CCC(=O)C 1458a_100000210193_200000210301 [1,0,1,0,0,0|1,0,1]=4 150 B5R0.1 C=CCC(=O)[13CH3] 1458a_100000210193_200025704644 [1,0,1,0,0,0|1,0,1]=4 151 B5R0.1 CC#CC(=O)C 1458a_100000763181_200000210301 [1,0,1,0,0,0|1,0,1]=4 152 B5R0.1 CC#CC(=O)[13CH3] 1458a_100000763181_200025704644 [1,0,1,0,0,0|1,0,1]=4 153 B5R0.1 CC(=O)C=CBr 1458a_100016273825_200000210301 [1,0,1,0,0,0|2,0,0]=4 154 B5R0.1 CC(=O)C=CCl 1458a_200016279998_200000210301 [1,0,1,0,0,0|2,0,0]=4 155 B5R0.1 CC(=O)C=CI 1458a_100016256311_200000210301 [1,0,1,0,0,0|2,0,0]=4 156 B5R0.1 CC(=O)CCF 1458a_100000070787_100011217306 [1,0,1,0,0,0|2,0,0]=4 157 B5R0.1 CC(=O)CCO 1458a_100000070787_100000211926 [1,0,1,0,0,0|1,0,1]=4 158 B5R0.1 CC(=O)CCO 1458a_100011216618_200000210301 [1,0,1,0,0,0|1,0,1]=4 159 B5R0.1 CC(=O)CO[13CH3] 34a_100000211253_200025704644 [1,0,1,0,0,0|2,0,0]=4 160 B5R0.1 CC=CC(=O)C 1458a_100000210699_200000210301 [1,0,1,0,0,0|1,0,0]=3 161 B5R0.1 CC=CC(=O)[13CH3] 1458a_100000210699_200025704644 [1,0,1,0,0,0|1,0,0]=3 162 B5R0.1 CCCC(=O)C 1458a_100000070787_100000210303 [1,0,1,0,0,0|1,0,1]=4 163 B5R0.1 CCCC(=O)C 1458a_100000211992_200000210301 [1,0,1,0,0,0|1,0,1]=4 164 B5R0.1 CCCC(=O)[13CH3] 1458a_100000211992_200025704644 [1,0,1,0,0,0|1,0,1]=4 165 B5R0.1 CCNC(=O)C 11a_100015525214_100015343762 [1,0,1,0,0,0|1,0,1]=4 166 B5R0.1 CCNC(=O)C 240690a_100015525214_100015343762 [1,0,1,0,0,0|1,0,1]=4 167 B5R0.1 CCNC(=O)C 527a_100015525214_100103153847 [1,0,1,0,0,0|1,0,1]=4 168 B5R0.1 CNCC(=O)O 269956a_100016091260_200000210301 [1,0,1,0,0,0|1,0,1]=4 169 B5R0.1 CNNC(=O)C 22a_100016993582_100000070787 [1,0,1,0,0,0|2,0,0]=4 170 B5R0.1 COCC(=O)C 1458a_100000210968_200000210301 [1,0,1,0,0,0|2,0,0]=4 171 B5R0.1 COCC(=O)C 34a_100000211253_200000210301 [1,0,1,0,0,0|2,0,0]=4 172 B5R0.1 COCC(=O)[13CH3] 1458a_100000210968_200025704644 [1,0,1,0,0,0|2,0,0]=4 173 B5R0.1 CSCC(=O)C 1458a_100000184570_200000210301 [1,0,1,0,0,0|2,0,0]=4 174 B5R0.1 CSCC(=O)[13CH3] 1458a_100000184570_200025704644 [1,0,1,0,0,0|2,0,0]=4 175 B5R0.1 [13CH3]C(=O)C=CBr 1458a_100016273825_200025704644 [1,0,1,0,0,0|2,0,0]=4 176 B5R0.1 [13CH3]C(=O)C=CCl 1458a_200016279998_200025704644 [1,0,1,0,0,0|2,0,0]=4 177 B5R0.1 [13CH3]C(=O)C=CI 1458a_100016256311_200025704644 [1,0,1,0,0,0|2,0,0]=4 178 B5R0.1 [13CH3]C(=O)CCO 1458a_100011216618_200025704644 [1,0,1,0,0,0|1,0,1]=4 179 B5R0.1 [13CH3]NCC(=O)O 269956a_100016091260_200025704644 [1,0,1,0,0,0|1,0,1]=4 180 B5R0.2 CCNCC=O 2230a_100015525214_200015260668 [1,0,1,0,0,0|2,0,0]=4 181 B5R0.2 CCOCC=O 34a_100121572206_200009817547 [1,0,1,0,0,0|2,0,0]=4 182 B5R0.2 CCSCC=O 62a_100000210202_200015260668 [1,0,1,0,0,0|2,0,0]=4 183 B5R0.2 CCSCC=O 62a_200015260668_100000210202 [1,0,1,0,0,0|2,0,0]=4 184 B5R0.3 C#CC(=O)CC 1458a_100000211873_100000210202 [1,0,1,0,0,0|1,0,1]=4 185 B5R0.3 C=CC(=O)CC 1458a_100000185746_100000210202 [1,0,1,0,0,0|1,0,0]=3 186 B5R0.3 C=CC(=O)CF 1458a_100000185746_100015361967 [1,0,1,0,0,0|2,0,0]=4 187 B5R0.3 C=CC(=O)NC 1626a_100102657272_100000185746 [1,0,1,0,0,0|2,0,0]=4 188 B5R0.3 C=CC(=O)NC 240690a_100102657272_200121576911 [1,0,1,0,0,0|2,0,0]=4 189 B5R0.3 CCC(=O)CC 1458a_100000210414_100000210202 [1,0,1,0,0,0|1,0,1]=4 190 B5R0.3 CCC(=O)CF 1458a_100000210414_100015361967 [1,0,1,0,0,0|1,0,1]=4 191 B5R0.3 CCC(=O)CO 1458a_100000210174_100000210202 [1,0,1,0,0,0|0,0,2]=4 192 B5R0.3 CCC(=O)NC 11a_106832991635_100000210414 [1,0,1,0,0,0|1,0,1]=4 193 B5R0.3 CCC(=O)NC 1626a_100102657272_100000210414 [1,0,1,0,0,0|1,0,1]=4 194 B5R0.3 CCC(=O)NC 240690a_100102657272_100000210414 [1,0,1,0,0,0|1,0,1]=4 195 B5R0.3 CCC(=O)NC 527a_100102657272_100000210414 [1,0,1,0,0,0|1,0,1]=4 196 B7R0.2 C=C(C)CC(=O)CC 1458a_100000210414_100000748629 [0,1,1,0,0,0|2,0,0]=4 197 B7R0.2 C=C(F)CC(=O)CC 1458a_100000210414_100009893438 [0,1,1,0,0,0|2,0,0]=4 198 B7R0.2 CCC(=CC(=O)C)C 1458a_100020758463_200000210301 [0,1,1,0,0,0|2,0,0]=4 199 B7R0.2 CCC(=CC(=O)[13CH3])C 1458a_100020758463_200025704644 [0,1,1,0,0,0|2,0,0]=4 200 B7R0.2 CCC(=O)C=C(C)C 1458a_100000211388_100000210202 [0,1,1,0,0,0|2,0,0]=4 201 B7R0.2 CCC(=O)C=C(C)Cl 1458a_200042562850_100000210202 [0,1,1,0,0,0|2,0,0]=4 202 B7R0.2 CCC(=O)C=C(C)I 1458a_100025716642_100000210202 [0,1,1,0,0,0|2,0,0]=4 203 B7R0.2 CCC(=O)C=C(Cl)Cl 1458a_100000137448_100000210202 [0,1,1,0,0,0|2,0,0]=4 204 B7R0.2 CCC(=O)CC(=O)C 1458a_100000070787_100000747405 [0,1,1,0,0,0|1,0,0]=3 205 B7R0.2 CCC(=O)CC(=O)N 1458a_100000210414_100000187820 [0,1,1,0,0,0|1,0,0]=3 206 B7R0.2 CCC(=O)CC(=O)N 1458a_100134613110_100000210202 [0,1,1,0,0,0|1,0,0]=3 207 B7R0.2 CCC(=O)CC(=O)[O-] 1458a_100000210414_100020667443 [0,1,1,0,0,0|1,0,0]=3 208 B7R0.2 CCC(=O)C[N+](=O)[O-] 1458a_100000210414_100000761209 [0,1,1,0,0,0|2,0,0]=4 209 B7R0.2 CNC(=O)CC(=O)C 1458a_100000070787_100000183359 [0,1,1,0,0,0|2,0,0]=4 210 B7R0.2 CNC(=O)CC(=O)N 240690a_100102657272_100134613110 [0,1,1,0,0,0|2,0,0]=4 211 B7R0.2 CNC(=O)CC(=O)N 527a_100102657272_100134613110 [0,1,1,0,0,0|2,0,0]=4 212 B7R0.2 COC(=O)CC(=O)C 1458a_100000070787_100000747449 [0,1,1,0,0,0|2,0,0]=4 213 B7R0.2 COC(=O)CC(=O)C 1458a_100000211351_200000210301 [0,1,1,0,0,0|2,0,0]=4 214 B7R0.2 COC(=O)CC(=O)[13CH3] 1458a_100000211351_200025704644 [0,1,1,0,0,0|2,0,0]=4 215 B7R0.2 NC(=O)CC(=O)CF 1458a_100134613110_100015361967 [0,1,1,0,0,0|2,0,0]=4 216 B7R0.2 NC(=O)CC(=O)CO 1458a_100000210174_100000187820 [0,1,1,0,0,0|2,0,0]=4 217 B7R0.2 O=C([O-])CC(=O)CO 1458a_100000210174_100020667443 [0,1,1,0,0,0|2,0,0]=4 218 B7R0.3 C/C=C/CC(=O)CC 1458a_100000210414_100102629194 [0,1,1,0,0,0|2,0,0]=4 219 B7R0.3 C=CC=CC(=O)CC 1458a_100016291481_100000210202 [0,1,1,0,0,0|2,0,0]=4 220 B7R0.3 C=CCCC(=O)CC 1458a_100000210414_100000754431 [0,1,1,0,0,0|2,0,0]=4 221 B7R0.3 C=CCCC(=O)CC 1458a_100000749702_100000210202 [0,1,1,0,0,0|2,0,0]=4 222 B7R0.3 C=CCNC(=O)CC 1626a_100020586998_100000210414 [0,1,1,0,0,0|2,0,0]=4 223 B7R0.3 C=CCNC(=O)CC 240690a_100020586998_100000210414 [0,1,1,0,0,0|2,0,0]=4 224 B7R0.3 C=CCNC(=O)CC 527a_100020586998_100000210414 [0,1,1,0,0,0|2,0,0]=4 225 B7R0.3 CC=CCC(=O)CC 1458a_100000210414_100000070051 [0,1,1,0,0,0|2,0,0]=4 226 B7R0.3 CC=CCC(=O)CC 1458a_100121576822_100000210202 [0,1,1,0,0,0|2,0,0]=4 227 B7R0.3 CC=NNC(=O)CC 4a_100000183195_200000210099 [0,1,1,0,0,0|2,0,0]=4 228 B7R0.3 CCC(=O)C=COC 1458a_100016268678_100000210202 [0,1,1,0,0,0|1,0,1]=4 229 B7R0.3 CCC(=O)COCF 34a_100000725409_100015361967 [0,1,1,0,0,0|1,0,1]=4 230 B7R0.3 CCC(C)OCC=O 7a_100000210228_200015260668 [0,1,1,0,0,0|1,0,1]=4 231 B7R0.3 CCC=CC(=O)CC 1458a_100000212282_100000210202 [0,1,1,0,0,0|2,0,0]=4 232 B7R0.3 CCOCC(=O)CC 1458a_100000211967_100000210202 [0,1,1,0,0,0|1,0,1]=4 233 B7R0.3 CCOCC(=O)CC 34a_100000725409_100000210202 [0,1,1,0,0,0|1,0,1]=4 234 B7R0.5 C=CCC(=O)C(C)C 1458a_100000210193_100000210206 [0,1,1,0,0,0|2,0,0]=4 235 B7R0.5 C=CCC(=O)C(C)C 1458a_100000210198_100000210623 [0,1,1,0,0,0|2,0,0]=4 236 B7R0.5 C=CCC(=O)C(C)F 1458a_100000062450_100000210623 [0,1,1,0,0,0|2,0,0]=4 237 B7R0.5 C=CCC(=O)[C@@H](C)O 1458a_100000717761_100000210623 [0,1,1,0,0,0|2,0,0]=4 238 B7R0.5 C=CCC(=O)[C@H](C)O 1458a_217856618621_100000210623 [0,1,1,0,0,0|2,0,0]=4 239 B7R0.5 CC(C)C(=O)C=CBr 1458a_100016273825_100000210206 [0,1,1,0,0,0|2,0,0]=4 240 B7R0.5 CC(C)C(=O)C=CCl 1458a_200016279998_100000210206 [0,1,1,0,0,0|2,0,0]=4 241 B7R0.5 CC(C)C(=O)C=CI 1458a_100016256311_100000210206 [0,1,1,0,0,0|2,0,0]=4 242 B7R0.5 CC=CC(=O)C(C)C 1458a_100000210699_100000210206 [0,1,1,0,0,0|2,0,0]=4 243 B7R0.7 C=CCC(=O)CCC 1458a_100000210193_100000210303 [0,1,1,0,0,0|2,0,0]=4 244 B7R0.7 C=CCC(=O)CCC 1458a_100000211992_100000210623 [0,1,1,0,0,0|2,0,0]=4 245 B7R0.7 C=CCC(=O)CCF 1458a_100000210193_100011217306 [0,1,1,0,0,0|2,0,0]=4 246 B7R0.7 C=CCC(=O)CCO 1458a_100000210193_100000211926 [0,1,1,0,0,0|2,0,0]=4 247 B7R0.7 C=CCC(=O)CCO 1458a_100011216618_100000210623 [0,1,1,0,0,0|2,0,0]=4 248 B7R0.7 C=CCC(=O)COC 1458a_100000210968_100000210623 [0,1,1,0,0,0|2,0,0]=4 249 B7R0.7 C=CCC(=O)CSC 1458a_100000184570_100000210623 [0,1,1,0,0,0|2,0,0]=4 250 B7R0.7 C=CCC(=O)NCC 11a_100015525214_100000210193 [0,1,1,0,0,0|2,0,0]=4 251 B7R0.7 C=CCC(=O)NCC 240690a_100015525214_100000210193 [0,1,1,0,0,0|2,0,0]=4 252 B7R0.7 C=CCC(=O)NCC 527a_100015525214_100000210193 [0,1,1,0,0,0|2,0,0]=4 253 B7R0.7 C=COC(=O)CNC 2230a_106832991635_100000036128 [0,1,1,0,0,0|1,0,0]=3 254 B7R0.7 C=COC(=O)CNC 34a_100102657272_100000036128 [0,1,1,0,0,0|1,0,0]=3 255 B7R0.7 C=COC(=O)COC 34a_100138415774_100000036128 [0,1,1,0,0,0|1,0,0]=3 256 B7R0.7 C=COC(=O)CSC 62a_100000036128_200000210301 [0,1,1,0,0,0|1,0,0]=3 257 B7R0.7 C=COC(=O)CSC 62a_200000210301_100000036128 [0,1,1,0,0,0|1,0,0]=3 258 B7R0.7 C=COC(=O)CS[13CH3] 62a_100000036128_200025704644 [0,1,1,0,0,0|1,0,0]=3 259 B7R0.7 C=COC(=O)CS[13CH3] 62a_200025704644_100000036128 [0,1,1,0,0,0|1,0,0]=3 260 B7R0.7 CC=CC(=O)CCC 1458a_100000210699_100000210303 [0,1,1,0,0,0|2,0,0]=4 261 B7R0.7 CC=CC(=O)CCF 1458a_100000210699_100011217306 [0,1,1,0,0,0|2,0,0]=4 262 B7R0.7 CC=CC(=O)CCO 1458a_100000210699_100000211926 [0,1,1,0,0,0|2,0,0]=4 263 B7R0.7 CC=CC(=O)NCC 11a_100015525214_100000210699 [0,1,1,0,0,0|2,0,0]=4 264 B7R0.7 CC=CC(=O)NCC 240690a_100015525214_100000210699 [0,1,1,0,0,0|2,0,0]=4 265 B7R0.7 CCCC(=O)C=CBr 1458a_100016273825_100000210303 [0,1,1,0,0,0|2,0,0]=4 266 B7R0.7 CCCC(=O)C=CCl 1458a_200016279998_100000210303 [0,1,1,0,0,0|2,0,0]=4 267 B7R0.7 CCCC(=O)C=CI 1458a_100016256311_100000210303 [0,1,1,0,0,0|2,0,0]=4 268 B7R0.7 CCNC(=O)C=CBr 240690a_100015525214_100016273825 [0,1,1,0,0,0|2,0,0]=4 269 B7R0.7 CCNC(=O)C=CCl 11a_100015525214_200016279998 [0,1,1,0,0,0|2,0,0]=4 270 B7R0.7 CCNC(=O)C=CCl 240690a_100015525214_200016279998 [0,1,1,0,0,0|2,0,0]=4 271 B7R0.7 CCOC(=O)CNC 2230a_106832991635_100000188475 [0,1,1,0,0,0|1,0,1]=4 272 B7R0.7 CCOC(=O)CNC 34a_100102657272_100000188475 [0,1,1,0,0,0|1,0,1]=4 273 B7R0.7 CCOC(=O)CNC 7a_106832991635_100000188475 [0,1,1,0,0,0|1,0,1]=4 274 B7R0.7 CCOC(=O)COC 34a_100138415774_100000188475 [0,1,1,0,0,0|1,0,1]=4 275 B7R0.7 CCOC(=O)CSC 62a_100000188475_200000210301 [0,1,1,0,0,0|1,0,1]=4 276 B7R0.7 CCOC(=O)CSC 62a_200000210301_100000188475 [0,1,1,0,0,0|1,0,1]=4 277 B7R0.7 CCOC(=O)CS[13CH3] 62a_100000188475_200025704644 [0,1,1,0,0,0|1,0,1]=4 278 B7R0.7 CCOC(=O)CS[13CH3] 62a_200025704644_100000188475 [0,1,1,0,0,0|1,0,1]=4 279 B7R0.7 O=C(C=CBr)CCF 1458a_100016273825_100011217306 [0,1,1,0,0,0|2,0,0]=4 280 B7R0.7 O=C(C=CBr)CCO 1458a_100016273825_100000211926 [0,1,1,0,0,0|2,0,0]=4 281 B7R0.7 O=C(C=CCl)CCF 1458a_200016279998_100011217306 [0,1,1,0,0,0|2,0,0]=4 282 B7R0.7 O=C(C=CCl)CCO 1458a_200016279998_100000211926 [0,1,1,0,0,0|2,0,0]=4 283 B7R0.7 O=C(C=CI)CCF 1458a_100016256311_100011217306 [0,1,1,0,0,0|2,0,0]=4 284 B7R0.7 O=C(C=CI)CCO 1458a_100016256311_100000211926 [0,1,1,0,0,0|2,0,0]=4 285 B7R0.10 C/C=C(\C)/C(=O)CC 1458a_100020587367_100000210202 [0,1,1,0,0,0|2,0,0]=4 286 B7R0.10 C=CC(C)C(=O)CC 1458a_100011216780_100000210202 [0,1,1,0,0,0|2,0,0]=4 287 B7R0.9 CC(=O)CS(=O)(=O)C 1458a_100000744497_200000210301 [0,1,1,0,0,0|2,0,0]=4 288 B7R0.9 CC(=O)NS(=O)(=O)C 2740a_100000171171_100015343762 [0,1,1,0,0,0|2,0,0]=4 289 B7R0.9 CS(=O)(=O)CC(=O)[13CH3] 1458a_100000744497_200025704644 [0,1,1,0,0,0|2,0,0]=4 290 B7R0.16 CC(=O)C(C)C(=O)C 1458a_100000070787_100000179758 [0,1,1,0,0,0|1,0,0]=3 291 B7R0.16 CC(=O)C(C)C(=O)N 1458a_100000070787_100000702099 [0,1,1,0,0,0|2,0,0]=4 292 B7R0.16 CC(=O)C(F)C(=O)N 1458a_100000070787_100009813875 [0,1,1,0,0,0|2,0,0]=4 293 B7R0.16 CC(=O)C(F)C(=O)[O-] 1458a_100000070787_100020610796 [0,1,1,0,0,0|2,0,0]=4 294 B7R0.4 C#CCNCC(=O)O 269956a_100016091260_100000184674 [0,1,1,0,0,0|1,0,1]=4 295 B7R0.4 C=C(C)COCC=O 34a_100000210245_200009817547 [0,1,1,0,0,0|2,0,0]=4 296 B7R0.4 C=C(C)CSCC=O 62a_100000748629_200015260668 [0,1,1,0,0,0|2,0,0]=4 297 B7R0.4 C=C(C)CSCC=O 62a_200015260668_100000211660 [0,1,1,0,0,0|2,0,0]=4 298 B7R0.4 C=C(F)COCC=O 34a_200010262243_200009817547 [0,1,1,0,0,0|2,0,0]=4 299 B7R0.4 C=C(F)CSCC=O 62a_100000042424_200015260668 [0,1,1,0,0,0|2,0,0]=4 300 B7R0.4 C=C(F)CSCC=O 62a_200015260668_100000042424 [0,1,1,0,0,0|2,0,0]=4 301 B7R0.4 C=CCCCC(=O)C 1458a_100000070787_100000757094 [0,1,1,0,0,0|2,0,0]=4 302 B7R0.4 C=CCCCC(=O)C 1458a_100000766728_200000210301 [0,1,1,0,0,0|2,0,0]=4 303 B7R0.4 C=CCCCC(=O)[13CH3] 1458a_100000766728_200025704644 [0,1,1,0,0,0|2,0,0]=4 304 B7R0.4 C=CCCNC(=O)C 11a_100015191253_100015343762 [0,1,1,0,0,0|2,0,0]=4 305 B7R0.4 C=CCCNC(=O)C 1626a_100015191253_100015343762 [0,1,1,0,0,0|2,0,0]=4 306 B7R0.4 C=CCCNC(=O)C 240690a_100015191253_100015343762 [0,1,1,0,0,0|2,0,0]=4 307 B7R0.4 C=CCCNC(=O)C 527a_100015191253_100103153847 [0,1,1,0,0,0|2,0,0]=4 308 B7R0.4 C=CCNCC(=O)N 2230a_100000711301_100000210623 [0,1,1,0,0,0|2,0,0]=4 309 B7R0.4 C=CCNCC(=O)N 2230a_100020586998_100000747473 [0,1,1,0,0,0|2,0,0]=4 310 B7R0.4 C=CCNCC(=O)O 269956a_100016091260_100000210623 [0,1,1,0,0,0|1,0,0]=3 311 B7R0.4 C=CCOCC(=O)C 34a_100000211253_100015514636 [0,1,1,0,0,0|2,0,0]=4 312 B7R0.4 C=CCOCC(=O)N 34a_200000210373_100000187820 [0,1,1,0,0,0|2,0,0]=4 313 B7R0.4 C=CCOCC(=O)[O-] 34a_200000210373_100020667443 [0,1,1,0,0,0|1,0,1]=4 314 B7R0.4 C=CCSCC(=O)C 1458a_100000230395_200000210301 [0,1,1,0,0,0|2,0,0]=4 315 B7R0.4 C=CCSCC(=O)N 62a_100000210623_100000747473 [0,1,1,0,0,0|2,0,0]=4 316 B7R0.4 C=CCSCC(=O)N 62a_100000747473_100000210623 [0,1,1,0,0,0|2,0,0]=4 317 B7R0.4 C=CCSCC(=O)[13CH3] 1458a_100000230395_200025704644 [0,1,1,0,0,0|2,0,0]=4 318 B7R0.4 C=CCSCC(=O)[O-] 62a_100000210623_100020667443 [0,1,1,0,0,0|1,0,1]=4 319 B7R0.4 C=CCSCC(=O)[O-] 62a_100020667443_100000210623 [0,1,1,0,0,0|1,0,1]=4 320 B7R0.4 C=COCCC(=O)C 1458a_100000070787_100000039644 [0,1,1,0,0,0|2,0,0]=4 321 B7R0.4 CC(=O)COCC=O 34a_100000211253_200009817547 [0,1,1,0,0,0|1,0,0]=3 322 B7R0.4 CC(O)CNCC=O 2230a_100000210904_200015260668 [0,1,1,0,0,0|1,0,1]=4 323 B7R0.4 CC(O)CNCC=O 34a_100000210904_200009817547 [0,1,1,0,0,0|1,0,1]=4 324 B7R0.4 CC(O)CSCC=O 62a_100011218427_200015260668 [0,1,1,0,0,0|1,0,1]=4 325 B7R0.4 CC(O)CSCC=O 62a_200015260668_100011218427 [0,1,1,0,0,0|1,0,1]=4 326 B7R0.4 CCCNCC(=O)O 269956a_100016091260_100000210207 [0,1,1,0,0,0|1,0,1]=4 327 B7R0.4 COCNCC(=O)O 269956a_100016091260_100000766300 [0,1,1,0,0,0|2,0,0]=4 328 B7R0.4 CSCNCC(=O)O 269956a_100016091260_100011218213 [0,1,1,0,0,0|2,0,0]=4 329 B7R0.4 C[C@@H](O)CSCC=O 62a_100009817552_200015260668 [0,1,1,0,0,0|1,0,1]=4 330 B7R0.4 C[C@@H](O)CSCC=O 62a_200015260668_100009817552 [0,1,1,0,0,0|1,0,1]=4 331 B7R0.4 N#CCNCC(=O)O 269956a_100016091260_100011215382 [0,1,1,0,0,0|1,0,1]=4 332 B7R0.4 NC(=O)CNCC=O 2230a_100000711301_200015260668 [0,1,1,0,0,0|1,0,0]=3 333 B7R0.4 NC(=O)CSCC=O 62a_100000747473_200015260668 [0,1,1,0,0,0|1,0,0]=3 334 B7R0.4 NC(=O)CSCC=O 62a_200015260668_100000747473 [0,1,1,0,0,0|1,0,0]=3 335 B7R0.4 O=C(O)CNCCF 269956a_100016091260_100011217306 [0,1,1,0,0,0|1,0,1]=4 336 B7R0.4 O=C(O)CNCCO 269956a_100016091260_100000211926 [0,1,1,0,0,0|0,0,2]=4 337 B7R0.4 O=CCNCC(=O)O 269956a_100016091260_200015260668 [0,1,1,0,0,0|0,0,0]=2 338 B7R0.4 O=CCSCC(=O)[O-] 62a_100020667443_200015260668 [0,1,1,0,0,0|0,0,1]=3 339 B7R0.4 O=CCSCC(=O)[O-] 62a_200015260668_100020667443 [0,1,1,0,0,0|0,0,1]=3 340 B7R0.4 O=CCSC[N+](=O)[O-] 62a_200015260668_100000761209 [0,1,1,0,0,0|1,0,1]=4 341 B7R0.6 C=C(C)CCC(=O)C 1458a_100000070787_100000730704 [0,1,1,0,0,0|2,0,0]=4 342 B7R0.6 C=C(C)CCC(=O)C 1458a_200000688413_200000210301 [0,1,1,0,0,0|2,0,0]=4 343 B7R0.6 C=C(C)CCC(=O)[13CH3] 1458a_200000688413_200025704644 [0,1,1,0,0,0|2,0,0]=4 344 B7R0.6 CC(=O)CCC(=O)N 1458a_100011215257_200000210301 [0,1,1,0,0,0|1,0,0]=3 345 B7R0.6 CC(=O)CCC(C)O 1458a_100000070787_100012276601 [0,1,1,0,0,0|1,0,1]=4 346 B7R0.6 CC(=O)CC[N+](=O)[O-] 1458a_200000064761_200000210301 [0,1,1,0,0,0|1,0,1]=4 347 B7R0.6 CC(=O)CNC(=O)C 1458a_100000194580_200000210301 [0,1,1,0,0,0|2,0,0]=4 348 B7R0.6 CC(=O)CNC(=O)N 1458a_100000184981_200000210301 [0,1,1,0,0,0|2,0,0]=4 349 B7R0.6 CC(=O)COC(=O)C 1458a_100000183556_200000210301 [0,1,1,0,0,0|2,0,0]=4 350 B7R0.6 CC(=O)CSC(=O)C 1458a_100000049016_200000210301 [0,1,1,0,0,0|2,0,0]=4 351 B7R0.6 CC(=O)NCC(=O)N 11a_100000711301_100015343762 [0,1,1,0,0,0|2,0,0]=4 352 B7R0.6 CC(=O)NCC(=O)N 240690a_100000711301_100015343762 [0,1,1,0,0,0|2,0,0]=4 353 B7R0.6 CC(=O)NCC(=O)N 527a_100000711301_100103153847 [0,1,1,0,0,0|2,0,0]=4 354 B7R0.6 CC(=O)NCC(=O)[13CH3] 1458a_100000194580_200025704644 [0,1,1,0,0,0|2,0,0]=4 355 B7R0.6 CC(=O)OCC(=O)[13CH3] 1458a_100000183556_200025704644 [0,1,1,0,0,0|2,0,0]=4 356 B7R0.6 CC(=O)SCC(=O)[13CH3] 1458a_100000049016_200025704644 [0,1,1,0,0,0|2,0,0]=4 357 B7R0.6 [13CH3]C(=O)CCC(=O)N 1458a_100011215257_200025704644 [0,1,1,0,0,0|1,0,0]=3 358 B7R0.6 [13CH3]C(=O)CC[N+](=O)[O-] 1458a_200000064761_200025704644 [0,1,1,0,0,0|1,0,1]=4 359 B7R0.6 [13CH3]C(=O)CNC(=O)N 1458a_100000184981_200025704644 [0,1,1,0,0,0|2,0,0]=4 360 B7R1.8 CNC1CCC1=O 34a_100102657272_100009892977 [0,1,0,0,1,0|1,0,1]=4 361 B7R1.8 CNC1CCC1=O 7a_106832991635_100009892977 [0,1,0,0,1,0|1,0,1]=4 362 B7R1.8 COC1CCC1=O 34a_100138415774_100009892977 [0,1,0,0,1,0|0,0,2]=4 363 B7R1.8 CSC1CCC1=O 62a_100009892977_200000210301 [0,1,0,0,1,0|0,1,1]=4 364 B7R1.8 CSC1CCC1=O 62a_200000210301_100009892977 [0,1,0,0,1,0|0,1,1]=4 365 B7R1.8 [13CH3]SC1CCC1=O 62a_100009892977_200025704644 [0,1,0,0,1,0|0,1,1]=4 366 B7R1.8 [13CH3]SC1CCC1=O 62a_200025704644_100009892977 [0,1,0,0,1,0|0,1,1]=4 367 B9R1.22 CC1CC(C(=O)O1)S[13CH3] 62a_200000216747_200025704644 [0,2,0,0,0,0|1,0,1]=4 368 B9R1.22 CC1CC(C(=O)O1)S[13CH3] 62a_200025704644_200000216747 [0,2,0,0,0,0|1,0,1]=4 369 B9R1.22 CNC1CC(=O)NC1=O 2230a_100102712934_200000210301 [0,2,0,0,0,0|1,0,0]=3 370 B9R1.22 CNC1CC(OC1=O)C 2230a_106832991635_200000216747 [0,2,0,0,0,0|1,0,1]=4 371 B9R1.22 CNC1CC(OC1=O)C 34a_100102657272_200000216747 [0,2,0,0,0,0|1,0,1]=4 372 B9R1.22 CNC1CC(OC1=O)C 7a_106832991635_200000216747 [0,2,0,0,0,0|1,0,1]=4 373 B9R1.22 COC1CC(OC1=O)C 34a_100138415774_200000216747 [0,2,0,0,0,0|1,0,1]=4 374 B9R1.22 CSC1CC(OC1=O)C 62a_200000210301_200000216747 [0,2,0,0,0,0|1,0,1]=4 375 B9R1.22 CSC1CC(OC1=O)C 62a_200000216747_200000210301 [0,2,0,0,0,0|1,0,1]=4 376 B9R1.22 [13CH3]NC1CC(=O)NC1=O 2230a_100102712934_200025704644 [0,2,0,0,0,0|1,0,0]=3 377 B9R1.35 CC(=O)C1CCC(=O)N1 1458a_100000210400_200000210301 [0,2,0,0,0,0|1,0,1]=4 378 B9R1.35 CC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_200000210301 [0,2,0,0,0,0|0,0,1]=3 379 B9R1.35 [13CH3]C(=O)C1CCC(=O)N1 1458a_100000210400_200025704644 [0,2,0,0,0,0|1,0,1]=4 380 B9R1.35 [13CH3]C(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_200025704644 [0,2,0,0,0,0|0,0,1]=3 381 B9R1.27 CNC1C(=O)CCC1=O 2230a_106832991635_100009820769 [0,2,0,0,0,0|1,0,0]=3 382 B9R1.27 CNC1C(=O)CCC1=O 7a_106832991635_100009820769 [0,2,0,0,0,0|1,0,0]=3 383 B9R1.27 CNC1C(=O)COC1=O 34a_100102657272_100000032967 [0,2,0,0,0,0|2,0,0]=4 384 B9R1.27 COC1C(=O)COC1=O 34a_100138415774_100000032967 [0,2,0,0,0,0|2,0,0]=4 385 B9R1.27 CSC1C(=O)CCC1=O 62a_100009820769_200000210301 [0,2,0,0,0,0|1,0,0]=3 386 B9R1.27 CSC1C(=O)CCC1=O 62a_200000210301_100009820769 [0,2,0,0,0,0|1,0,0]=3 387 B9R1.27 CSC1C(=O)COC1=O 62a_200000210301_100000032967 [0,2,0,0,0,0|2,0,0]=4 388 B9R1.27 [13CH3]SC1C(=O)CCC1=O 62a_100009820769_200025704644 [0,2,0,0,0,0|1,0,0]=3 389 B9R1.27 [13CH3]SC1C(=O)CCC1=O 62a_200025704644_100009820769 [0,2,0,0,0,0|1,0,0]=3 390 B9R1.27 [13CH3]SC1C(=O)COC1=O 62a_200025704644_100000032967 [0,2,0,0,0,0|2,0,0]=4 391 B5R0.5 C=C(C)C(=O)C 1458a_100000185857_200000210301 [0,0,1,0,1,0|1,0,0]=3 392 B5R0.5 C=C(C)C(=O)[13CH3] 1458a_100000185857_200025704644 [0,0,1,0,1,0|1,0,0]=3 393 B5R0.5 CC(=O)C(C)C 1458a_100000070787_100000210206 [0,0,1,0,1,0|1,0,1]=4 394 B5R0.5 CC(=O)C(C)C 1458a_100000210198_200000210301 [0,0,1,0,1,0|1,0,1]=4 395 B5R0.5 CC(=O)C(C)F 1458a_100000062450_200000210301 [0,0,1,0,1,0|1,0,1]=4 396 B5R0.5 CC(=O)N(C)C 11a_100102631434_100015343762 [0,0,1,0,1,0|2,0,0]=4 397 B5R0.5 CC(=O)N(C)C 1626a_100102631434_100015343762 [0,0,1,0,1,0|2,0,0]=4 398 B5R0.5 CC(=O)N(C)C 240690a_100102631434_100015343762 [0,0,1,0,1,0|2,0,0]=4 399 B5R0.5 CC(=O)N(C)C 527a_100102631434_100103153847 [0,0,1,0,1,0|2,0,0]=4 400 B5R0.5 CC(=O)[C@@H](C)O 1458a_100000717761_200000210301 [0,0,1,0,1,0|0,0,2]=4 401 B5R0.5 CC(=O)[C@H](C)O 1458a_217856618621_200000210301 [0,0,1,0,1,0|0,0,2]=4 402 B5R0.5 CC(C)C(=O)[13CH3] 1458a_100000210198_200025704644 [0,0,1,0,1,0|1,0,1]=4 403 B5R0.5 CC(F)C(=O)[13CH3] 1458a_100000062450_200025704644 [0,0,1,0,1,0|1,0,1]=4 404 B5R0.5 C[C@@H](O)C(=O)[13CH3] 1458a_100000717761_200025704644 [0,0,1,0,1,0|0,0,2]=4 405 B5R0.5 C[C@H](O)C(=O)[13CH3] 1458a_217856618621_200025704644 [0,0,1,0,1,0|0,0,2]=4