0 B7R1.2 CN1CNC(=O)C1 2230a_200000708111_200000210301 [0,0,0,0,0,0|4,0,0]=4 1 B7R1.2 [13CH3]N1CNC(=O)C1 2230a_200000708111_200025704644 [0,0,0,0,0,0|4,0,0]=4 2 B6R1.2 Oc1ncc[nH]1 271570a_203496583355_100025796157 [1,0,0,0,0,0|1,0,2]=4 3 B8R1.1 COC1CCC(=O)C1 34a_100012614533_200000210301 [0,1,0,0,0,0|1,0,2]=4 4 B8R1.1 [13CH3]OC1CCC(=O)C1 34a_100012614533_200025704644 [0,1,0,0,0,0|1,0,2]=4 5 B6R0.1 C#CCC(=O)CC 1458a_100000210414_100000184674 [0,0,1,0,0,0|2,0,1]=4 6 B6R0.1 C#CCC(=O)CC 1458a_100011220946_100000210202 [0,0,1,0,0,0|2,0,1]=4 7 B6R0.1 C=CCC(=O)CC 1458a_100000210193_100000210202 [0,0,1,0,0,0|2,0,0]=3 8 B6R0.1 C=CCC(=O)CC 1458a_100000210414_100000210623 [0,0,1,0,0,0|2,0,0]=3 9 B6R0.1 C=CCC(=O)CF 1458a_100000210193_100015361967 [0,0,1,0,0,0|3,0,0]=4 10 B6R0.1 C=CCC(=O)CO 1458a_100000210174_100000210623 [0,0,1,0,0,0|3,0,0]=4 11 B6R0.1 C=CCC(=O)NC 11a_106832991635_100000210193 [0,0,1,0,0,0|3,0,0]=4 12 B6R0.1 C=CCC(=O)NC 1626a_100102657272_100000210193 [0,0,1,0,0,0|3,0,0]=4 13 B6R0.1 C=CCC(=O)NC 240690a_100102657272_100000210193 [0,0,1,0,0,0|3,0,0]=4 14 B6R0.1 C=CCC(=O)NC 527a_100102657272_100000210193 [0,0,1,0,0,0|3,0,0]=4 15 B6R0.1 CC#CC(=O)CC 1458a_100000763181_100000210202 [0,0,1,0,0,0|2,0,1]=4 16 B6R0.1 CC=CC(=O)CC 1458a_100000210699_100000210202 [0,0,1,0,0,0|2,0,0]=3 17 B6R0.1 CC=CC(=O)CF 1458a_100000210699_100015361967 [0,0,1,0,0,0|3,0,0]=4 18 B6R0.1 CC=CC(=O)NC 11a_106832991635_100000210699 [0,0,1,0,0,0|3,0,0]=4 19 B6R0.1 CC=CC(=O)NC 1626a_100102657272_100000210699 [0,0,1,0,0,0|3,0,0]=4 20 B6R0.1 CC=CC(=O)NC 240690a_100102657272_100000210699 [0,0,1,0,0,0|3,0,0]=4 21 B6R0.1 CCC(=O)C=CBr 1458a_100016273825_100000210202 [0,0,1,0,0,0|2,0,0]=3 22 B6R0.1 CCC(=O)C=CCl 1458a_200016279998_100000210202 [0,0,1,0,0,0|2,0,0]=3 23 B6R0.1 CCC(=O)C=CI 1458a_100016256311_100000210202 [0,0,1,0,0,0|2,0,0]=3 24 B6R0.1 CCC(=O)CC#N 1458a_100000210414_100011214920 [0,0,1,0,0,0|2,0,1]=4 25 B6R0.1 CCC(=O)CC#N 1458a_100051588842_100000210202 [0,0,1,0,0,0|2,0,1]=4 26 B6R0.1 CCC(=O)CCF 1458a_100000210414_100011217306 [0,0,1,0,0,0|2,0,1]=4 27 B6R0.1 CCC(=O)CCO 1458a_100000210414_100000211926 [0,0,1,0,0,0|1,0,2]=4 28 B6R0.1 CCC(=O)CCO 1458a_100011216618_100000210202 [0,0,1,0,0,0|1,0,2]=4 29 B6R0.1 CCC(=O)CNC 7a_106832991635_100000747405 [0,0,1,0,0,0|3,0,0]=4 30 B6R0.1 CCC(=O)COC 1458a_100000210968_100000210202 [0,0,1,0,0,0|3,0,0]=4 31 B6R0.1 CCC(=O)COC 34a_100000725409_200000210301 [0,0,1,0,0,0|3,0,0]=4 32 B6R0.1 CCC(=O)CO[13CH3] 34a_100000725409_200025704644 [0,0,1,0,0,0|3,0,0]=4 33 B6R0.1 CCC(=O)CSC 1458a_100000184570_100000210202 [0,0,1,0,0,0|3,0,0]=4 34 B6R0.1 CCC(=O)CSC 62a_100000747405_200000210301 [0,0,1,0,0,0|3,0,0]=4 35 B6R0.1 CCC(=O)CSC 62a_200000210301_100000747405 [0,0,1,0,0,0|3,0,0]=4 36 B6R0.1 CCC(=O)CS[13CH3] 62a_100000747405_200025704644 [0,0,1,0,0,0|3,0,0]=4 37 B6R0.1 CCC(=O)CS[13CH3] 62a_200025704644_100000747405 [0,0,1,0,0,0|3,0,0]=4 38 B6R0.1 CCC(=O)NNC 22a_100016993582_100000210414 [0,0,1,0,0,0|2,0,0]=3 39 B6R0.1 CCCC(=O)CC 1458a_100000210414_100000210303 [0,0,1,0,0,0|2,0,1]=4 40 B6R0.1 CCCC(=O)CC 1458a_100000211992_100000210202 [0,0,1,0,0,0|2,0,1]=4 41 B6R0.1 CCN(C)CC=O 2230a_100000225621_200015260668 [0,0,1,0,0,0|3,0,0]=4 42 B6R0.1 CCN(C)CC=O 269982a_100000225621_200015260668 [0,0,1,0,0,0|3,0,0]=4 43 B6R0.1 CCNC(=O)CC 11a_100015525214_100000210414 [0,0,1,0,0,0|1,0,1]=3 44 B6R0.1 CCNC(=O)CC 240690a_100015525214_100000210414 [0,0,1,0,0,0|1,0,1]=3 45 B6R0.1 CCNC(=O)CC 527a_100015525214_100000210414 [0,0,1,0,0,0|1,0,1]=3 46 B6R0.1 CCNC(=O)CO 240690a_100015525214_100000210174 [0,0,1,0,0,0|2,0,1]=4 47 B6R0.1 CCNC(=O)CO 527a_100015525214_100000210174 [0,0,1,0,0,0|2,0,1]=4 48 B6R0.1 CCNC(=O)NC 2708a_100015525214_106832991635 [0,0,1,0,0,0|2,0,1]=4 49 B6R0.1 CCNC(=O)NC 2708a_100102657272_100015525214 [0,0,1,0,0,0|2,0,1]=4 50 B6R0.1 CCNC(=O)NC 273464a_100015525214_100102657272 [0,0,1,0,0,0|2,0,1]=4 51 B6R0.1 CCNC(=O)NC 273464a_100102657272_100015525214 [0,0,1,0,0,0|2,0,1]=4 52 B6R0.1 CCNC(=O)NC 512a_100015525214_100102657272 [0,0,1,0,0,0|2,0,1]=4 53 B6R0.1 CCNC(=O)NC 512a_106832991638_100015525214 [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 CNNC(=O)CO 22a_100016993582_100000210174 [0,0,1,0,0,0|3,0,0]=4 61 B6R0.1 CNNC(=O)NC 273464a_100102657272_100016993582 [0,0,1,0,0,0|3,0,0]=4 62 B6R0.1 CNNC(=O)NC 512a_100016993582_100102657272 [0,0,1,0,0,0|3,0,0]=4 63 B6R0.1 CNNC(=O)NC 512a_106832991638_100016993582 [0,0,1,0,0,0|3,0,0]=4 64 B6R0.1 O=C(C=CBr)CF 1458a_100016273825_100015361967 [0,0,1,0,0,0|3,0,0]=4 65 B6R0.1 O=C(C=CCl)CF 1458a_200016279998_100015361967 [0,0,1,0,0,0|3,0,0]=4 66 B6R0.1 O=C(C=CI)CF 1458a_100016256311_100015361967 [0,0,1,0,0,0|3,0,0]=4 67 B6R0.2 C=C(C)CC(=O)C 1458a_100000070787_100000748629 [0,0,1,0,0,0|2,0,0]=3 68 B6R0.2 C=C(F)CC(=O)C 1458a_100000070787_100009893438 [0,0,1,0,0,0|2,0,1]=4 69 B6R0.2 CC(=CC(=O)[13CH3])C 1458a_100000211388_200025704644 [0,0,1,0,0,0|2,0,0]=3 70 B6R0.2 CC(=CC(=O)[13CH3])Cl 1458a_200042562850_200025704644 [0,0,1,0,0,0|2,0,0]=3 71 B6R0.2 CC(=CC(=O)[13CH3])I 1458a_100025716642_200025704644 [0,0,1,0,0,0|2,0,0]=3 72 B6R0.2 CC(=O)C=C(C)C 1458a_100000211388_200000210301 [0,0,1,0,0,0|2,0,0]=3 73 B6R0.2 CC(=O)C=C(C)Cl 1458a_200042562850_200000210301 [0,0,1,0,0,0|2,0,0]=3 74 B6R0.2 CC(=O)C=C(C)I 1458a_100025716642_200000210301 [0,0,1,0,0,0|2,0,0]=3 75 B6R0.2 CC(=O)C=C(Cl)Cl 1458a_100000137448_200000210301 [0,0,1,0,0,0|3,0,0]=4 76 B6R0.2 CC(=O)CC(=O)N 1458a_100000070787_100000187820 [0,0,1,0,0,0|2,0,0]=3 77 B6R0.2 CC(=O)CC(=O)N 1458a_100134613110_200000210301 [0,0,1,0,0,0|2,0,0]=3 78 B6R0.2 CC(=O)CC(=O)[O-] 1458a_100000070787_100020667443 [0,0,1,0,0,0|2,0,0]=3 79 B6R0.2 CC(=O)CC(C)C 1458a_100000070787_100000210624 [0,0,1,0,0,0|2,0,1]=4 80 B6R0.2 CC(=O)CC(C)C 1458a_100000210554_200000210301 [0,0,1,0,0,0|2,0,1]=4 81 B6R0.2 CC(=O)CC(C)O 1458a_100000070787_100011218427 [0,0,1,0,0,0|1,0,2]=4 82 B6R0.2 CC(=O)CN(C)C 1458a_100000750896_200000210301 [0,0,1,0,0,0|3,0,0]=4 83 B6R0.2 CC(=O)C[C@@H](C)O 1458a_100011933948_200000210301 [0,0,1,0,0,0|1,0,2]=4 84 B6R0.2 CC(=O)C[N+](=O)[O-] 1458a_100000070787_100000761209 [0,0,1,0,0,0|3,0,0]=4 85 B6R0.2 CC(=O)C[S+](C)C 1458a_200159257847_200000210301 [0,0,1,0,0,0|3,0,0]=4 86 B6R0.2 CC(=O)NC(C)C 11a_100138425928_100015343762 [0,0,1,0,0,0|1,0,1]=3 87 B6R0.2 CC(=O)NC(C)C 1626a_100138425928_100015343762 [0,0,1,0,0,0|1,0,1]=3 88 B6R0.2 CC(=O)NC(C)C 240690a_100138425928_100015343762 [0,0,1,0,0,0|1,0,1]=3 89 B6R0.2 CC(=O)NC(C)C 527a_100138425928_100103153847 [0,0,1,0,0,0|1,0,1]=3 90 B6R0.2 CC(C)CC(=O)[13CH3] 1458a_100000210554_200025704644 [0,0,1,0,0,0|2,0,1]=4 91 B6R0.2 CN(C)CC(=O)[13CH3] 1458a_100000750896_200025704644 [0,0,1,0,0,0|3,0,0]=4 92 B6R0.2 C[C@@H](O)CC(=O)[13CH3] 1458a_100011933948_200025704644 [0,0,1,0,0,0|1,0,2]=4 93 B6R0.2 C[S+](C)CC(=O)[13CH3] 1458a_200159257847_200025704644 [0,0,1,0,0,0|3,0,0]=4 94 B6R0.2 [13CH3]C(=O)C=C(Cl)Cl 1458a_100000137448_200025704644 [0,0,1,0,0,0|3,0,0]=4 95 B6R0.2 [13CH3]C(=O)CC(=O)N 1458a_100134613110_200025704644 [0,0,1,0,0,0|2,0,0]=3 96 B6R0.4 C#CCCC(=O)C 1458a_100000070787_100000753159 [0,0,1,0,0,0|2,0,1]=4 97 B6R0.4 C#CCCC(=O)C 1458a_100000692101_200000210301 [0,0,1,0,0,0|2,0,1]=4 98 B6R0.4 C#CCCC(=O)[13CH3] 1458a_100000692101_200025704644 [0,0,1,0,0,0|2,0,1]=4 99 B6R0.4 C/C=C/CC(=O)C 1458a_100000070787_100102629194 [0,0,1,0,0,0|2,0,1]=4 100 B6R0.4 C=CCCC(=O)C 1458a_100000070787_100000754431 [0,0,1,0,0,0|2,0,0]=3 101 B6R0.4 C=CCCC(=O)C 1458a_100000749702_200000210301 [0,0,1,0,0,0|2,0,0]=3 102 B6R0.4 C=CCCC(=O)[13CH3] 1458a_100000749702_200025704644 [0,0,1,0,0,0|2,0,0]=3 103 B6R0.4 C=CCNC(=O)C 1626a_100020586998_100015343762 [0,0,1,0,0,0|3,0,0]=4 104 B6R0.4 C=CCNC(=O)C 240690a_100020586998_100015343762 [0,0,1,0,0,0|3,0,0]=4 105 B6R0.4 C=CCNC(=O)C 527a_100020586998_100103153847 [0,0,1,0,0,0|3,0,0]=4 106 B6R0.4 CC(=O)CCC#N 1458a_100000070787_100011215226 [0,0,1,0,0,0|2,0,1]=4 107 B6R0.4 CC(=O)CCC#N 1458a_100011934036_200000210301 [0,0,1,0,0,0|2,0,1]=4 108 B6R0.4 CC(=O)CCCF 1458a_100000070787_100011934791 [0,0,1,0,0,0|2,0,1]=4 109 B6R0.4 CC(=O)CCCO 1458a_100000070787_100011215043 [0,0,1,0,0,0|1,0,2]=4 110 B6R0.4 CC(=O)CCO[13CH3] 34a_100000759926_200025704644 [0,0,1,0,0,0|3,0,0]=4 111 B6R0.4 CC(=O)CCO[13CH3] 7a_100000759926_200025704644 [0,0,1,0,0,0|3,0,0]=4 112 B6R0.4 CC(=O)CCS[13CH3] 62a_100000053229_200025704644 [0,0,1,0,0,0|3,0,0]=4 113 B6R0.4 CC(=O)CCS[13CH3] 62a_200025704644_100000053229 [0,0,1,0,0,0|3,0,0]=4 114 B6R0.4 CC=CCC(=O)C 1458a_100000070787_100000070051 [0,0,1,0,0,0|2,0,1]=4 115 B6R0.4 CC=CCC(=O)C 1458a_100121576822_200000210301 [0,0,1,0,0,0|2,0,1]=4 116 B6R0.4 CC=CCC(=O)[13CH3] 1458a_100121576822_200025704644 [0,0,1,0,0,0|2,0,1]=4 117 B6R0.4 CCCCC(=O)C 1458a_100000070787_100000210211 [0,0,1,0,0,0|2,0,1]=4 118 B6R0.4 CCCCC(=O)C 1458a_100000210183_200000210301 [0,0,1,0,0,0|2,0,1]=4 119 B6R0.4 CCCCC(=O)[13CH3] 1458a_100000210183_200025704644 [0,0,1,0,0,0|2,0,1]=4 120 B6R0.4 CCNCC(=O)N 2230a_100000711301_100000210202 [0,0,1,0,0,0|2,0,1]=4 121 B6R0.4 CCNCC(=O)N 2230a_100015525214_100000747473 [0,0,1,0,0,0|2,0,1]=4 122 B6R0.4 CCOCC(=O)N 34a_100121572206_100000187820 [0,0,1,0,0,0|2,0,1]=4 123 B6R0.4 CCSCC(=O)N 62a_100000210202_100000747473 [0,0,1,0,0,0|2,0,1]=4 124 B6R0.4 CCSCC(=O)N 62a_100000747473_100000210202 [0,0,1,0,0,0|2,0,1]=4 125 B6R0.4 CNCCC(=O)C 7a_106832991635_100000053229 [0,0,1,0,0,0|3,0,0]=4 126 B6R0.4 CNCCC(=O)N 2230a_106832991635_100000744528 [0,0,1,0,0,0|2,0,0]=3 127 B6R0.4 CNCCC(=O)N 34a_100102657272_100000731001 [0,0,1,0,0,0|2,0,0]=3 128 B6R0.4 CNCCC(=O)N 7a_106832991635_100000744528 [0,0,1,0,0,0|2,0,0]=3 129 B6R0.4 COCCC(=O)C 1458a_100000070787_100000233755 [0,0,1,0,0,0|3,0,0]=4 130 B6R0.4 COCCC(=O)C 1458a_100000749529_200000210301 [0,0,1,0,0,0|3,0,0]=4 131 B6R0.4 COCCC(=O)C 34a_100000759926_200000210301 [0,0,1,0,0,0|3,0,0]=4 132 B6R0.4 COCCC(=O)C 7a_100000759926_200000210301 [0,0,1,0,0,0|3,0,0]=4 133 B6R0.4 COCCC(=O)N 34a_100000757172_200000210301 [0,0,1,0,0,0|2,0,0]=3 134 B6R0.4 COCCC(=O)N 34a_100138415774_100000731001 [0,0,1,0,0,0|2,0,0]=3 135 B6R0.4 COCCC(=O)N 7a_100000757172_200000210301 [0,0,1,0,0,0|2,0,0]=3 136 B6R0.4 COCCC(=O)[13CH3] 1458a_100000749529_200025704644 [0,0,1,0,0,0|3,0,0]=4 137 B6R0.4 CSCCC(=O)C 1458a_100000070787_100000751147 [0,0,1,0,0,0|3,0,0]=4 138 B6R0.4 CSCCC(=O)C 1458a_100000174002_200000210301 [0,0,1,0,0,0|3,0,0]=4 139 B6R0.4 CSCCC(=O)C 62a_100000053229_200000210301 [0,0,1,0,0,0|3,0,0]=4 140 B6R0.4 CSCCC(=O)C 62a_200000210301_100000053229 [0,0,1,0,0,0|3,0,0]=4 141 B6R0.4 CSCCC(=O)N 62a_100000744528_200000210301 [0,0,1,0,0,0|2,0,0]=3 142 B6R0.4 CSCCC(=O)N 62a_200000210301_100000744528 [0,0,1,0,0,0|2,0,0]=3 143 B6R0.4 CSCCC(=O)[13CH3] 1458a_100000174002_200025704644 [0,0,1,0,0,0|3,0,0]=4 144 B6R0.4 NC(=O)CSCF 62a_100000747473_100015361967 [0,0,1,0,0,0|2,0,1]=4 145 B6R0.4 NC(=O)CSCF 62a_100015361967_100000747473 [0,0,1,0,0,0|2,0,1]=4 146 B6R0.4 [13CH3]C(=O)CCC#N 1458a_100011934036_200025704644 [0,0,1,0,0,0|2,0,1]=4 147 B6R0.4 [13CH3]OCCC(=O)N 34a_100000757172_200025704644 [0,0,1,0,0,0|2,0,0]=3 148 B6R0.4 [13CH3]OCCC(=O)N 7a_100000757172_200025704644 [0,0,1,0,0,0|2,0,0]=3 149 B6R0.4 [13CH3]SCCC(=O)N 62a_100000744528_200025704644 [0,0,1,0,0,0|2,0,0]=3 150 B6R0.4 [13CH3]SCCC(=O)N 62a_200025704644_100000744528 [0,0,1,0,0,0|2,0,0]=3 151 B8R1.3 O=c1ccc(c[nH]1)O 271570a_203496583355_100000212171 [0,0,0,0,0,1|0,0,3]=4 152 B8R1.3 O=c1ccc(n[nH]1)O 271570a_203496583355_100009820020 [0,0,0,0,0,1|0,0,3]=4 153 B8R1.3 O=c1ncc(c[nH]1)O 271570a_203496583355_102495366499 [0,0,0,0,0,1|1,0,2]=4 154 B8R1.4 CN1CCNC(=O)C1 2230a_100000184651_200000210301 [0,0,0,0,0,1|3,0,0]=4 155 B8R1.4 CN1CCOC(=O)C1 2230a_100000131268_200000210301 [0,0,0,0,0,1|3,0,0]=4 156 B8R1.4 O=c1cccc([nH]1)O 271570a_203496583355_100000761760 [0,0,0,0,0,1|0,0,3]=4 157 B8R1.4 [13CH3]N1CCNC(=O)C1 2230a_100000184651_200025704644 [0,0,0,0,0,1|3,0,0]=4 158 B8R1.4 [13CH3]N1CCOC(=O)C1 2230a_100000131268_200025704644 [0,0,0,0,0,1|3,0,0]=4 159 B5R0.1 C=CCC(=O)C 1458a_100000070787_100000210623 [1,0,1,0,0,0|1,0,1]=4 160 B5R0.1 C=CCC(=O)C 1458a_100000210193_200000210301 [1,0,1,0,0,0|1,0,1]=4 161 B5R0.1 C=CCC(=O)[13CH3] 1458a_100000210193_200025704644 [1,0,1,0,0,0|1,0,1]=4 162 B5R0.1 CC#CC(=O)C 1458a_100000763181_200000210301 [1,0,1,0,0,0|1,0,1]=4 163 B5R0.1 CC#CC(=O)[13CH3] 1458a_100000763181_200025704644 [1,0,1,0,0,0|1,0,1]=4 164 B5R0.1 CC(=O)C=CBr 1458a_100016273825_200000210301 [1,0,1,0,0,0|2,0,0]=4 165 B5R0.1 CC(=O)C=CCl 1458a_200016279998_200000210301 [1,0,1,0,0,0|2,0,0]=4 166 B5R0.1 CC(=O)C=CI 1458a_100016256311_200000210301 [1,0,1,0,0,0|2,0,0]=4 167 B5R0.1 CC(=O)CCF 1458a_100000070787_100011217306 [1,0,1,0,0,0|2,0,0]=4 168 B5R0.1 CC(=O)CCO 1458a_100000070787_100000211926 [1,0,1,0,0,0|1,0,1]=4 169 B5R0.1 CC(=O)CCO 1458a_100011216618_200000210301 [1,0,1,0,0,0|1,0,1]=4 170 B5R0.1 CC(=O)CO[13CH3] 34a_100000211253_200025704644 [1,0,1,0,0,0|2,0,0]=4 171 B5R0.1 CC=CC(=O)C 1458a_100000210699_200000210301 [1,0,1,0,0,0|1,0,0]=3 172 B5R0.1 CC=CC(=O)[13CH3] 1458a_100000210699_200025704644 [1,0,1,0,0,0|1,0,0]=3 173 B5R0.1 CCCC(=O)C 1458a_100000070787_100000210303 [1,0,1,0,0,0|1,0,1]=4 174 B5R0.1 CCCC(=O)C 1458a_100000211992_200000210301 [1,0,1,0,0,0|1,0,1]=4 175 B5R0.1 CCCC(=O)[13CH3] 1458a_100000211992_200025704644 [1,0,1,0,0,0|1,0,1]=4 176 B5R0.1 CCNC(=O)C 11a_100015525214_100015343762 [1,0,1,0,0,0|0,0,1]=3 177 B5R0.1 CCNC(=O)C 240690a_100015525214_100015343762 [1,0,1,0,0,0|0,0,1]=3 178 B5R0.1 CCNC(=O)C 527a_100015525214_100103153847 [1,0,1,0,0,0|0,0,1]=3 179 B5R0.1 CNCC(=O)N 2230a_100000711301_200000210301 [1,0,1,0,0,0|1,0,1]=4 180 B5R0.1 CNCC(=O)N 2230a_106832991635_100000747473 [1,0,1,0,0,0|1,0,1]=4 181 B5R0.1 CNCC(=O)N 34a_100102657272_100000187820 [1,0,1,0,0,0|1,0,1]=4 182 B5R0.1 CNCC(=O)N 7a_106832991635_100000187820 [1,0,1,0,0,0|1,0,1]=4 183 B5R0.1 CNNC(=O)C 22a_100016993582_100000070787 [1,0,1,0,0,0|1,0,0]=3 184 B5R0.1 COCC(=O)C 1458a_100000210968_200000210301 [1,0,1,0,0,0|2,0,0]=4 185 B5R0.1 COCC(=O)C 34a_100000211253_200000210301 [1,0,1,0,0,0|2,0,0]=4 186 B5R0.1 COCC(=O)N 34a_100138415774_100000187820 [1,0,1,0,0,0|1,0,1]=4 187 B5R0.1 COCC(=O)[13CH3] 1458a_100000210968_200025704644 [1,0,1,0,0,0|2,0,0]=4 188 B5R0.1 CSCC(=O)C 1458a_100000184570_200000210301 [1,0,1,0,0,0|2,0,0]=4 189 B5R0.1 CSCC(=O)N 62a_100000747473_200000210301 [1,0,1,0,0,0|1,0,1]=4 190 B5R0.1 CSCC(=O)N 62a_200000210301_100000747473 [1,0,1,0,0,0|1,0,1]=4 191 B5R0.1 CSCC(=O)[13CH3] 1458a_100000184570_200025704644 [1,0,1,0,0,0|2,0,0]=4 192 B5R0.1 [13CH3]C(=O)C=CBr 1458a_100016273825_200025704644 [1,0,1,0,0,0|2,0,0]=4 193 B5R0.1 [13CH3]C(=O)C=CCl 1458a_200016279998_200025704644 [1,0,1,0,0,0|2,0,0]=4 194 B5R0.1 [13CH3]C(=O)C=CI 1458a_100016256311_200025704644 [1,0,1,0,0,0|2,0,0]=4 195 B5R0.1 [13CH3]C(=O)CCO 1458a_100011216618_200025704644 [1,0,1,0,0,0|1,0,1]=4 196 B5R0.1 [13CH3]NCC(=O)N 2230a_100000711301_200025704644 [1,0,1,0,0,0|1,0,1]=4 197 B5R0.1 [13CH3]SCC(=O)N 62a_100000747473_200025704644 [1,0,1,0,0,0|1,0,1]=4 198 B5R0.1 [13CH3]SCC(=O)N 62a_200025704644_100000747473 [1,0,1,0,0,0|1,0,1]=4 199 B5R0.2 CCNCC=O 2230a_100015525214_200015260668 [1,0,1,0,0,0|2,0,0]=4 200 B5R0.2 CCOCC=O 34a_100121572206_200009817547 [1,0,1,0,0,0|2,0,0]=4 201 B5R0.2 CCSCC=O 62a_100000210202_200015260668 [1,0,1,0,0,0|2,0,0]=4 202 B5R0.2 CCSCC=O 62a_200015260668_100000210202 [1,0,1,0,0,0|2,0,0]=4 203 B5R0.3 C#CC(=O)CC 1458a_100000211873_100000210202 [1,0,1,0,0,0|1,0,1]=4 204 B5R0.3 C=CC(=O)CC 1458a_100000185746_100000210202 [1,0,1,0,0,0|1,0,0]=3 205 B5R0.3 C=CC(=O)CF 1458a_100000185746_100015361967 [1,0,1,0,0,0|2,0,0]=4 206 B5R0.3 C=CC(=O)NC 1626a_100102657272_100000185746 [1,0,1,0,0,0|2,0,0]=4 207 B5R0.3 C=CC(=O)NC 240690a_100102657272_200121576911 [1,0,1,0,0,0|2,0,0]=4 208 B5R0.3 CCC(=O)CC 1458a_100000210414_100000210202 [1,0,1,0,0,0|1,0,1]=4 209 B5R0.3 CCC(=O)CF 1458a_100000210414_100015361967 [1,0,1,0,0,0|1,0,1]=4 210 B5R0.3 CCC(=O)CO 1458a_100000210174_100000210202 [1,0,1,0,0,0|0,0,2]=4 211 B5R0.3 CCC(=O)NC 11a_106832991635_100000210414 [1,0,1,0,0,0|0,0,1]=3 212 B5R0.3 CCC(=O)NC 1626a_100102657272_100000210414 [1,0,1,0,0,0|0,0,1]=3 213 B5R0.3 CCC(=O)NC 240690a_100102657272_100000210414 [1,0,1,0,0,0|0,0,1]=3 214 B5R0.3 CCC(=O)NC 527a_100102657272_100000210414 [1,0,1,0,0,0|0,0,1]=3 215 B5R0.3 CNC(=O)CO 240690a_100102657272_100000210174 [1,0,1,0,0,0|1,0,1]=4 216 B5R0.3 CNC(=O)CO 527a_100102657272_100000210174 [1,0,1,0,0,0|1,0,1]=4 217 B5R0.3 CNC(=O)NC 2708a_100102657272_106832991635 [1,0,1,0,0,0|1,0,1]=4 218 B5R0.3 CNC(=O)NC 273464a_100102657272_100102657272 [1,0,1,0,0,0|1,0,1]=4 219 B5R0.3 CNC(=O)NC 512a_106832991638_100102657272 [1,0,1,0,0,0|1,0,1]=4 220 B7R0.2 C=C(C)CC(=O)CC 1458a_100000210414_100000748629 [0,1,1,0,0,0|2,0,0]=4 221 B7R0.2 C=C(F)CC(=O)CC 1458a_100000210414_100009893438 [0,1,1,0,0,0|2,0,0]=4 222 B7R0.2 CCC(=CC(=O)C)C 1458a_100020758463_200000210301 [0,1,1,0,0,0|2,0,0]=4 223 B7R0.2 CCC(=CC(=O)[13CH3])C 1458a_100020758463_200025704644 [0,1,1,0,0,0|2,0,0]=4 224 B7R0.2 CCC(=O)C=C(C)C 1458a_100000211388_100000210202 [0,1,1,0,0,0|2,0,0]=4 225 B7R0.2 CCC(=O)C=C(C)Cl 1458a_200042562850_100000210202 [0,1,1,0,0,0|2,0,0]=4 226 B7R0.2 CCC(=O)C=C(C)I 1458a_100025716642_100000210202 [0,1,1,0,0,0|2,0,0]=4 227 B7R0.2 CCC(=O)C=C(Cl)Cl 1458a_100000137448_100000210202 [0,1,1,0,0,0|2,0,0]=4 228 B7R0.2 CCC(=O)CC(=O)C 1458a_100000070787_100000747405 [0,1,1,0,0,0|1,0,0]=3 229 B7R0.2 CCC(=O)CC(=O)N 1458a_100000210414_100000187820 [0,1,1,0,0,0|1,0,0]=3 230 B7R0.2 CCC(=O)CC(=O)N 1458a_100134613110_100000210202 [0,1,1,0,0,0|1,0,0]=3 231 B7R0.2 CCC(=O)CC(=O)[O-] 1458a_100000210414_100020667443 [0,1,1,0,0,0|1,0,0]=3 232 B7R0.2 CCC(=O)C[N+](=O)[O-] 1458a_100000210414_100000761209 [0,1,1,0,0,0|2,0,0]=4 233 B7R0.2 CCC(=O)NC(C)C 11a_100138425928_100000210414 [0,1,1,0,0,0|1,0,1]=4 234 B7R0.2 CCC(=O)NC(C)C 1626a_100138425928_100000210414 [0,1,1,0,0,0|1,0,1]=4 235 B7R0.2 CCC(=O)NC(C)C 240690a_100138425928_100000210414 [0,1,1,0,0,0|1,0,1]=4 236 B7R0.2 CCC(=O)NC(C)C 527a_100138425928_100000210414 [0,1,1,0,0,0|1,0,1]=4 237 B7R0.2 CCC(C)NC(=O)C 11a_100000209981_100015343762 [0,1,1,0,0,0|1,0,1]=4 238 B7R0.2 CCC(C)NC(=O)C 1626a_100000209981_100015343762 [0,1,1,0,0,0|1,0,1]=4 239 B7R0.2 CCC(C)NC(=O)C 240690a_100000209981_100015343762 [0,1,1,0,0,0|1,0,1]=4 240 B7R0.2 CCC(C)NC(=O)C 527a_100000209981_100103153847 [0,1,1,0,0,0|1,0,1]=4 241 B7R0.2 CNC(=O)CC(=O)C 1458a_100000070787_100000183359 [0,1,1,0,0,0|2,0,0]=4 242 B7R0.2 CNC(=O)CC(=O)N 240690a_100102657272_100134613110 [0,1,1,0,0,0|2,0,0]=4 243 B7R0.2 CNC(=O)CC(=O)N 527a_100102657272_100134613110 [0,1,1,0,0,0|2,0,0]=4 244 B7R0.2 COC(=O)CC(=O)C 1458a_100000070787_100000747449 [0,1,1,0,0,0|2,0,0]=4 245 B7R0.2 COC(=O)CC(=O)C 1458a_100000211351_200000210301 [0,1,1,0,0,0|2,0,0]=4 246 B7R0.2 COC(=O)CC(=O)[13CH3] 1458a_100000211351_200025704644 [0,1,1,0,0,0|2,0,0]=4 247 B7R0.2 NC(=O)CC(=O)CF 1458a_100134613110_100015361967 [0,1,1,0,0,0|2,0,0]=4 248 B7R0.2 NC(=O)CC(=O)CO 1458a_100000210174_100000187820 [0,1,1,0,0,0|2,0,0]=4 249 B7R0.2 O=C([O-])CC(=O)CO 1458a_100000210174_100020667443 [0,1,1,0,0,0|2,0,0]=4 250 B7R0.3 C#CCNC(=O)CC 11a_100000212058_100000210414 [0,1,1,0,0,0|1,0,1]=4 251 B7R0.3 C#CCNC(=O)CC 1626a_100000212058_100000210414 [0,1,1,0,0,0|1,0,1]=4 252 B7R0.3 C#CCNC(=O)CC 240690a_100000212058_100000210414 [0,1,1,0,0,0|1,0,1]=4 253 B7R0.3 C#CCNC(=O)CC 527a_100000212058_100000210414 [0,1,1,0,0,0|1,0,1]=4 254 B7R0.3 C/C=C/CC(=O)CC 1458a_100000210414_100102629194 [0,1,1,0,0,0|2,0,0]=4 255 B7R0.3 C=CC=CC(=O)CC 1458a_100016291481_100000210202 [0,1,1,0,0,0|2,0,0]=4 256 B7R0.3 C=CCCC(=O)CC 1458a_100000210414_100000754431 [0,1,1,0,0,0|2,0,0]=4 257 B7R0.3 C=CCCC(=O)CC 1458a_100000749702_100000210202 [0,1,1,0,0,0|2,0,0]=4 258 B7R0.3 C=CCNC(=O)CC 1626a_100020586998_100000210414 [0,1,1,0,0,0|1,0,0]=3 259 B7R0.3 C=CCNC(=O)CC 240690a_100020586998_100000210414 [0,1,1,0,0,0|1,0,0]=3 260 B7R0.3 C=CCNC(=O)CC 527a_100020586998_100000210414 [0,1,1,0,0,0|1,0,0]=3 261 B7R0.3 C=CCNC(=O)CO 240690a_100020586998_100000210174 [0,1,1,0,0,0|2,0,0]=4 262 B7R0.3 C=CCNC(=O)CO 527a_100020586998_100000210174 [0,1,1,0,0,0|2,0,0]=4 263 B7R0.3 C=CCNC(=O)NC 2708a_100102657272_100020586998 [0,1,1,0,0,0|2,0,0]=4 264 B7R0.3 C=CCNC(=O)NC 273464a_100020586998_100102657272 [0,1,1,0,0,0|2,0,0]=4 265 B7R0.3 C=CCNC(=O)NC 273464a_100102657272_100020586998 [0,1,1,0,0,0|2,0,0]=4 266 B7R0.3 C=CCNC(=O)NC 512a_100020586998_100102657272 [0,1,1,0,0,0|2,0,0]=4 267 B7R0.3 C=CCNC(=O)NC 512a_106832991638_100020586998 [0,1,1,0,0,0|2,0,0]=4 268 B7R0.3 CC=CCC(=O)CC 1458a_100000210414_100000070051 [0,1,1,0,0,0|2,0,0]=4 269 B7R0.3 CC=CCC(=O)CC 1458a_100121576822_100000210202 [0,1,1,0,0,0|2,0,0]=4 270 B7R0.3 CC=NNC(=O)CC 4a_100000183195_200000210099 [0,1,1,0,0,0|1,0,0]=3 271 B7R0.3 CCC(=O)C=COC 1458a_100016268678_100000210202 [0,1,1,0,0,0|1,0,1]=4 272 B7R0.3 CCC(=O)NCC#N 1626a_100000734998_100000210414 [0,1,1,0,0,0|1,0,1]=4 273 B7R0.3 CCC(=O)NCC#N 527a_100000734998_100000210414 [0,1,1,0,0,0|1,0,1]=4 274 B7R0.3 CCC(=O)NCCF 11a_100000724931_100000210414 [0,1,1,0,0,0|1,0,1]=4 275 B7R0.3 CCC(=O)NCCF 1626a_100000724931_100000210414 [0,1,1,0,0,0|1,0,1]=4 276 B7R0.3 CCC(=O)NCCF 240690a_100000724931_100000210414 [0,1,1,0,0,0|1,0,1]=4 277 B7R0.3 CCC(=O)NCCF 527a_100000724931_100000210414 [0,1,1,0,0,0|1,0,1]=4 278 B7R0.3 CCC(=O)NCCO 240690a_100000210304_100000210414 [0,1,1,0,0,0|0,0,2]=4 279 B7R0.3 CCC(=O)NCCO 527a_100000210304_100000210414 [0,1,1,0,0,0|0,0,2]=4 280 B7R0.3 CCC(C)NCC=O 2230a_100000209981_200015260668 [0,1,1,0,0,0|1,0,1]=4 281 B7R0.3 CCC=CC(=O)CC 1458a_100000212282_100000210202 [0,1,1,0,0,0|2,0,0]=4 282 B7R0.3 CCCNC(=O)CC 11a_100020643023_100000210414 [0,1,1,0,0,0|1,0,1]=4 283 B7R0.3 CCCNC(=O)CC 1626a_100020643023_100000210414 [0,1,1,0,0,0|1,0,1]=4 284 B7R0.3 CCCNC(=O)CC 240690a_100020643023_100000210414 [0,1,1,0,0,0|1,0,1]=4 285 B7R0.3 CCCNC(=O)CC 527a_100020643023_100000210414 [0,1,1,0,0,0|1,0,1]=4 286 B7R0.3 CCNNC(=O)CC 22a_100000756455_100000210414 [0,1,1,0,0,0|1,0,1]=4 287 B7R0.5 C=CCC(=O)C(C)C 1458a_100000210193_100000210206 [0,1,1,0,0,0|2,0,0]=4 288 B7R0.5 C=CCC(=O)C(C)C 1458a_100000210198_100000210623 [0,1,1,0,0,0|2,0,0]=4 289 B7R0.5 C=CCC(=O)C(C)F 1458a_100000062450_100000210623 [0,1,1,0,0,0|2,0,0]=4 290 B7R0.5 C=CCC(=O)[C@@H](C)O 1458a_100000717761_100000210623 [0,1,1,0,0,0|2,0,0]=4 291 B7R0.5 C=CCC(=O)[C@H](C)O 1458a_217856618621_100000210623 [0,1,1,0,0,0|2,0,0]=4 292 B7R0.5 CC(C)C(=O)C=CBr 1458a_100016273825_100000210206 [0,1,1,0,0,0|2,0,0]=4 293 B7R0.5 CC(C)C(=O)C=CCl 1458a_200016279998_100000210206 [0,1,1,0,0,0|2,0,0]=4 294 B7R0.5 CC(C)C(=O)C=CI 1458a_100016256311_100000210206 [0,1,1,0,0,0|2,0,0]=4 295 B7R0.5 CC=CC(=O)C(C)C 1458a_100000210699_100000210206 [0,1,1,0,0,0|2,0,0]=4 296 B7R0.5 CCNC(=O)C(C)C 11a_100015525214_100000210198 [0,1,1,0,0,0|1,0,1]=4 297 B7R0.5 CCNC(=O)C(C)C 240690a_100015525214_100000210198 [0,1,1,0,0,0|1,0,1]=4 298 B7R0.5 CCNC(=O)C(C)C 527a_100015525214_100000210198 [0,1,1,0,0,0|1,0,1]=4 299 B7R0.5 CCNC(=O)C(C)F 11a_100015525214_100000062450 [0,1,1,0,0,0|1,0,1]=4 300 B7R0.5 CCNC(=O)C(C)F 240690a_100015525214_100000062450 [0,1,1,0,0,0|1,0,1]=4 301 B7R0.5 CCNC(=O)C(C)F 527a_100015525214_100000062450 [0,1,1,0,0,0|1,0,1]=4 302 B7R0.5 CCNC(=O)[C@@H](C)O 240690a_100015525214_100000717761 [0,1,1,0,0,0|1,0,1]=4 303 B7R0.5 CCNC(=O)[C@H](C)O 240690a_100015525214_217856618621 [0,1,1,0,0,0|1,0,1]=4 304 B7R0.5 CNNC(=O)C(C)C 22a_100016993582_100000210198 [0,1,1,0,0,0|2,0,0]=4 305 B7R0.5 CNNC(=O)C(C)F 22a_100016993582_100000062450 [0,1,1,0,0,0|2,0,0]=4 306 B7R0.5 CNNC(=O)[C@@H](C)O 22a_100016993582_100000717761 [0,1,1,0,0,0|2,0,0]=4 307 B7R0.5 CNNC(=O)[C@H](C)O 22a_100016993582_217856618621 [0,1,1,0,0,0|2,0,0]=4 308 B7R0.7 C=CCC(=O)CCC 1458a_100000210193_100000210303 [0,1,1,0,0,0|2,0,0]=4 309 B7R0.7 C=CCC(=O)CCC 1458a_100000211992_100000210623 [0,1,1,0,0,0|2,0,0]=4 310 B7R0.7 C=CCC(=O)CCF 1458a_100000210193_100011217306 [0,1,1,0,0,0|2,0,0]=4 311 B7R0.7 C=CCC(=O)CCO 1458a_100000210193_100000211926 [0,1,1,0,0,0|2,0,0]=4 312 B7R0.7 C=CCC(=O)CCO 1458a_100011216618_100000210623 [0,1,1,0,0,0|2,0,0]=4 313 B7R0.7 C=CCC(=O)COC 1458a_100000210968_100000210623 [0,1,1,0,0,0|2,0,0]=4 314 B7R0.7 C=CCC(=O)CSC 1458a_100000184570_100000210623 [0,1,1,0,0,0|2,0,0]=4 315 B7R0.7 C=CCC(=O)NCC 11a_100015525214_100000210193 [0,1,1,0,0,0|2,0,0]=4 316 B7R0.7 C=CCC(=O)NCC 240690a_100015525214_100000210193 [0,1,1,0,0,0|2,0,0]=4 317 B7R0.7 C=CCC(=O)NCC 527a_100015525214_100000210193 [0,1,1,0,0,0|2,0,0]=4 318 B7R0.7 C=COC(=O)CNC 2230a_106832991635_100000036128 [0,1,1,0,0,0|2,0,0]=4 319 B7R0.7 C=COC(=O)CNC 34a_100102657272_100000036128 [0,1,1,0,0,0|2,0,0]=4 320 B7R0.7 C=COC(=O)COC 34a_100138415774_100000036128 [0,1,1,0,0,0|2,0,0]=4 321 B7R0.7 C=COC(=O)CSC 62a_100000036128_200000210301 [0,1,1,0,0,0|2,0,0]=4 322 B7R0.7 C=COC(=O)CSC 62a_200000210301_100000036128 [0,1,1,0,0,0|2,0,0]=4 323 B7R0.7 C=COC(=O)CS[13CH3] 62a_100000036128_200025704644 [0,1,1,0,0,0|2,0,0]=4 324 B7R0.7 C=COC(=O)CS[13CH3] 62a_200025704644_100000036128 [0,1,1,0,0,0|2,0,0]=4 325 B7R0.7 CC=CC(=O)CCC 1458a_100000210699_100000210303 [0,1,1,0,0,0|2,0,0]=4 326 B7R0.7 CC=CC(=O)CCF 1458a_100000210699_100011217306 [0,1,1,0,0,0|2,0,0]=4 327 B7R0.7 CC=CC(=O)CCO 1458a_100000210699_100000211926 [0,1,1,0,0,0|2,0,0]=4 328 B7R0.7 CC=CC(=O)NCC 11a_100015525214_100000210699 [0,1,1,0,0,0|2,0,0]=4 329 B7R0.7 CC=CC(=O)NCC 240690a_100015525214_100000210699 [0,1,1,0,0,0|2,0,0]=4 330 B7R0.7 CCCC(=O)C=CBr 1458a_100016273825_100000210303 [0,1,1,0,0,0|2,0,0]=4 331 B7R0.7 CCCC(=O)C=CCl 1458a_200016279998_100000210303 [0,1,1,0,0,0|2,0,0]=4 332 B7R0.7 CCCC(=O)C=CI 1458a_100016256311_100000210303 [0,1,1,0,0,0|2,0,0]=4 333 B7R0.7 CCCC(=O)NCC 11a_100015525214_100000211992 [0,1,1,0,0,0|1,0,1]=4 334 B7R0.7 CCCC(=O)NCC 240690a_100015525214_100000211992 [0,1,1,0,0,0|1,0,1]=4 335 B7R0.7 CCCC(=O)NCC 527a_100015525214_100000211992 [0,1,1,0,0,0|1,0,1]=4 336 B7R0.7 CCCC(=O)NNC 22a_100016993582_100000211992 [0,1,1,0,0,0|2,0,0]=4 337 B7R0.7 CCNC(=O)C=CBr 240690a_100015525214_100016273825 [0,1,1,0,0,0|2,0,0]=4 338 B7R0.7 CCNC(=O)C=CCl 11a_100015525214_200016279998 [0,1,1,0,0,0|2,0,0]=4 339 B7R0.7 CCNC(=O)C=CCl 240690a_100015525214_200016279998 [0,1,1,0,0,0|2,0,0]=4 340 B7R0.7 CCNC(=O)CCO 240690a_100015525214_100011216618 [0,1,1,0,0,0|1,0,1]=4 341 B7R0.7 CCNC(=O)CNC 2230a_100016988866_200000210301 [0,1,1,0,0,0|1,0,1]=4 342 B7R0.7 CCNC(=O)CNC 2230a_106832991635_100000183381 [0,1,1,0,0,0|1,0,1]=4 343 B7R0.7 CCNC(=O)CNC 34a_100102657272_100000183381 [0,1,1,0,0,0|1,0,1]=4 344 B7R0.7 CCNC(=O)CNC 7a_106832991635_100000183381 [0,1,1,0,0,0|1,0,1]=4 345 B7R0.7 CCNC(=O)CN[13CH3] 2230a_100016988866_200025704644 [0,1,1,0,0,0|1,0,1]=4 346 B7R0.7 CCNC(=O)COC 11a_100015525214_100000210968 [0,1,1,0,0,0|1,0,1]=4 347 B7R0.7 CCNC(=O)COC 240690a_100015525214_100000210968 [0,1,1,0,0,0|1,0,1]=4 348 B7R0.7 CCNC(=O)COC 34a_100138415774_100000183381 [0,1,1,0,0,0|1,0,1]=4 349 B7R0.7 CCNC(=O)COC 527a_100015525214_100000210968 [0,1,1,0,0,0|1,0,1]=4 350 B7R0.7 CCNC(=O)CSC 11a_100015525214_100000184570 [0,1,1,0,0,0|1,0,1]=4 351 B7R0.7 CCNC(=O)CSC 240690a_100015525214_100000184570 [0,1,1,0,0,0|1,0,1]=4 352 B7R0.7 CCNC(=O)CSC 527a_100015525214_100000184570 [0,1,1,0,0,0|1,0,1]=4 353 B7R0.7 CCNC(=O)CSC 62a_100000183381_200000210301 [0,1,1,0,0,0|1,0,1]=4 354 B7R0.7 CCNC(=O)CSC 62a_200000210301_100000183381 [0,1,1,0,0,0|1,0,1]=4 355 B7R0.7 CCNC(=O)CS[13CH3] 62a_100000183381_200025704644 [0,1,1,0,0,0|1,0,1]=4 356 B7R0.7 CCNC(=O)CS[13CH3] 62a_200025704644_100000183381 [0,1,1,0,0,0|1,0,1]=4 357 B7R0.7 CCNC(=O)NCC 2708a_100015525214_100015525214 [0,1,1,0,0,0|1,0,1]=4 358 B7R0.7 CCNC(=O)NCC 273464a_100015525214_100015525214 [0,1,1,0,0,0|1,0,1]=4 359 B7R0.7 CCNC(=O)NCC 512a_100015525214_100015525214 [0,1,1,0,0,0|1,0,1]=4 360 B7R0.7 CCNC(=O)NNC 273464a_100015525214_100016993582 [0,1,1,0,0,0|2,0,0]=4 361 B7R0.7 CCNC(=O)NNC 512a_100015525214_100016993582 [0,1,1,0,0,0|2,0,0]=4 362 B7R0.7 CCNC(=O)NNC 512a_100016993582_100015525214 [0,1,1,0,0,0|2,0,0]=4 363 B7R0.7 CNCC(=O)NCO 2230a_106832991635_100000185155 [0,1,1,0,0,0|0,0,2]=4 364 B7R0.7 CNCC(=O)NCO 34a_100102657272_100000185155 [0,1,1,0,0,0|0,0,2]=4 365 B7R0.7 CNCC(=O)NCO 7a_106832991635_100000185155 [0,1,1,0,0,0|0,0,2]=4 366 B7R0.7 CNNC(=O)CCO 22a_100016993582_100011216618 [0,1,1,0,0,0|2,0,0]=4 367 B7R0.7 CNNC(=O)COC 22a_100016993582_100000210968 [0,1,1,0,0,0|2,0,0]=4 368 B7R0.7 CNNC(=O)CSC 22a_100016993582_100000184570 [0,1,1,0,0,0|2,0,0]=4 369 B7R0.7 COCC(=O)NCO 34a_100138415774_100000185155 [0,1,1,0,0,0|0,0,2]=4 370 B7R0.7 CSCC(=O)NCO 62a_100000185155_200000210301 [0,1,1,0,0,0|0,0,2]=4 371 B7R0.7 CSCC(=O)NCO 62a_200000210301_100000185155 [0,1,1,0,0,0|0,0,2]=4 372 B7R0.7 O=C(C=CBr)CCF 1458a_100016273825_100011217306 [0,1,1,0,0,0|2,0,0]=4 373 B7R0.7 O=C(C=CBr)CCO 1458a_100016273825_100000211926 [0,1,1,0,0,0|2,0,0]=4 374 B7R0.7 O=C(C=CCl)CCF 1458a_200016279998_100011217306 [0,1,1,0,0,0|2,0,0]=4 375 B7R0.7 O=C(C=CCl)CCO 1458a_200016279998_100000211926 [0,1,1,0,0,0|2,0,0]=4 376 B7R0.7 O=C(C=CI)CCF 1458a_100016256311_100011217306 [0,1,1,0,0,0|2,0,0]=4 377 B7R0.7 O=C(C=CI)CCO 1458a_100016256311_100000211926 [0,1,1,0,0,0|2,0,0]=4 378 B7R0.7 [13CH3]SCC(=O)NCO 62a_100000185155_200025704644 [0,1,1,0,0,0|0,0,2]=4 379 B7R0.7 [13CH3]SCC(=O)NCO 62a_200025704644_100000185155 [0,1,1,0,0,0|0,0,2]=4 380 B7R0.10 C/C=C(\C)/C(=O)CC 1458a_100020587367_100000210202 [0,1,1,0,0,0|2,0,0]=4 381 B7R0.10 C=CC(C)C(=O)CC 1458a_100011216780_100000210202 [0,1,1,0,0,0|2,0,0]=4 382 B7R0.10 CCC(=O)N(C)CC 11a_100000225621_100000210414 [0,1,1,0,0,0|1,0,1]=4 383 B7R0.10 CCC(=O)N(C)CC 1626a_100000225621_100000210414 [0,1,1,0,0,0|1,0,1]=4 384 B7R0.10 CCC(=O)N(C)CC 240690a_100000225621_100000210414 [0,1,1,0,0,0|1,0,1]=4 385 B7R0.10 CCC(=O)N(C)CC 527a_100000225621_100000210414 [0,1,1,0,0,0|1,0,1]=4 386 B7R0.9 CC(=O)CS(=O)(=O)C 1458a_100000744497_200000210301 [0,1,1,0,0,0|2,0,0]=4 387 B7R0.9 CC(=O)NC(C)(C)C 11a_100000715429_100015343762 [0,1,1,0,0,0|1,0,1]=4 388 B7R0.9 CC(=O)NC(C)(C)C 1626a_100000715429_100015343762 [0,1,1,0,0,0|1,0,1]=4 389 B7R0.9 CC(=O)NC(C)(C)C 240690a_100000715429_100015343762 [0,1,1,0,0,0|1,0,1]=4 390 B7R0.9 CC(=O)NC(C)(C)C 527a_100000715429_100103153847 [0,1,1,0,0,0|1,0,1]=4 391 B7R0.9 CC(=O)NS(=O)(=O)C 2740a_100000171171_100015343762 [0,1,1,0,0,0|1,0,0]=3 392 B7R0.9 CS(=O)(=O)CC(=O)[13CH3] 1458a_100000744497_200025704644 [0,1,1,0,0,0|2,0,0]=4 393 B7R0.16 CC(=O)C(C)C(=O)C 1458a_100000070787_100000179758 [0,1,1,0,0,0|1,0,0]=3 394 B7R0.16 CC(=O)C(C)C(=O)N 1458a_100000070787_100000702099 [0,1,1,0,0,0|2,0,0]=4 395 B7R0.16 CC(=O)C(F)C(=O)N 1458a_100000070787_100009813875 [0,1,1,0,0,0|2,0,0]=4 396 B7R0.16 CC(=O)C(F)C(=O)[O-] 1458a_100000070787_100020610796 [0,1,1,0,0,0|2,0,0]=4 397 B7R0.16 CC(=O)N(C)C(C)C 11a_200000211004_100015343762 [0,1,1,0,0,0|1,0,1]=4 398 B7R0.16 CC(=O)N(C)C(C)C 1626a_200000211004_100015343762 [0,1,1,0,0,0|1,0,1]=4 399 B7R0.16 CC(=O)N(C)C(C)C 240690a_200000211004_100015343762 [0,1,1,0,0,0|1,0,1]=4 400 B7R0.16 CC(=O)N(C)C(C)C 527a_200000211004_100103153847 [0,1,1,0,0,0|1,0,1]=4 401 B7R0.4 C#CCNCC(=O)N 2230a_100000711301_100000038162 [0,1,1,0,0,0|1,0,1]=4 402 B7R0.4 C#CCNCC(=O)N 34a_100000212058_100000187820 [0,1,1,0,0,0|1,0,1]=4 403 B7R0.4 C#CCOCC(=O)N 34a_100000210247_100000187820 [0,1,1,0,0,0|1,0,1]=4 404 B7R0.4 C#CCSCC(=O)N 62a_100000038162_100000747473 [0,1,1,0,0,0|1,0,1]=4 405 B7R0.4 C=C(C)COCC=O 34a_100000210245_200009817547 [0,1,1,0,0,0|2,0,0]=4 406 B7R0.4 C=C(C)CSCC=O 62a_100000748629_200015260668 [0,1,1,0,0,0|2,0,0]=4 407 B7R0.4 C=C(C)CSCC=O 62a_200015260668_100000211660 [0,1,1,0,0,0|2,0,0]=4 408 B7R0.4 C=C(F)COCC=O 34a_200010262243_200009817547 [0,1,1,0,0,0|2,0,0]=4 409 B7R0.4 C=C(F)CSCC=O 62a_100000042424_200015260668 [0,1,1,0,0,0|2,0,0]=4 410 B7R0.4 C=C(F)CSCC=O 62a_200015260668_100000042424 [0,1,1,0,0,0|2,0,0]=4 411 B7R0.4 C=CCCCC(=O)C 1458a_100000070787_100000757094 [0,1,1,0,0,0|2,0,0]=4 412 B7R0.4 C=CCCCC(=O)C 1458a_100000766728_200000210301 [0,1,1,0,0,0|2,0,0]=4 413 B7R0.4 C=CCCCC(=O)[13CH3] 1458a_100000766728_200025704644 [0,1,1,0,0,0|2,0,0]=4 414 B7R0.4 C=CCCNC(=O)C 11a_100015191253_100015343762 [0,1,1,0,0,0|2,0,0]=4 415 B7R0.4 C=CCCNC(=O)C 1626a_100015191253_100015343762 [0,1,1,0,0,0|2,0,0]=4 416 B7R0.4 C=CCCNC(=O)C 240690a_100015191253_100015343762 [0,1,1,0,0,0|2,0,0]=4 417 B7R0.4 C=CCCNC(=O)C 527a_100015191253_100103153847 [0,1,1,0,0,0|2,0,0]=4 418 B7R0.4 C=CCNCC(=O)N 2230a_100000711301_100000210623 [0,1,1,0,0,0|1,0,0]=3 419 B7R0.4 C=CCNCC(=O)N 2230a_100020586998_100000747473 [0,1,1,0,0,0|1,0,0]=3 420 B7R0.4 C=CCNCC(=O)O 269956a_100016091260_100000210623 [0,1,1,0,0,0|2,0,0]=4 421 B7R0.4 C=CCOCC(=O)C 34a_100000211253_100015514636 [0,1,1,0,0,0|2,0,0]=4 422 B7R0.4 C=CCOCC(=O)N 34a_200000210373_100000187820 [0,1,1,0,0,0|1,0,0]=3 423 B7R0.4 C=CCOCC(=O)[O-] 34a_200000210373_100020667443 [0,1,1,0,0,0|2,0,0]=4 424 B7R0.4 C=CCSCC(=O)C 1458a_100000230395_200000210301 [0,1,1,0,0,0|2,0,0]=4 425 B7R0.4 C=CCSCC(=O)N 62a_100000210623_100000747473 [0,1,1,0,0,0|1,0,0]=3 426 B7R0.4 C=CCSCC(=O)N 62a_100000747473_100000210623 [0,1,1,0,0,0|1,0,0]=3 427 B7R0.4 C=CCSCC(=O)[13CH3] 1458a_100000230395_200025704644 [0,1,1,0,0,0|2,0,0]=4 428 B7R0.4 C=CCSCC(=O)[O-] 62a_100000210623_100020667443 [0,1,1,0,0,0|2,0,0]=4 429 B7R0.4 C=CCSCC(=O)[O-] 62a_100020667443_100000210623 [0,1,1,0,0,0|2,0,0]=4 430 B7R0.4 C=COCCC(=O)C 1458a_100000070787_100000039644 [0,1,1,0,0,0|2,0,0]=4 431 B7R0.4 CC(=O)COCC=O 34a_100000211253_200009817547 [0,1,1,0,0,0|1,0,0]=3 432 B7R0.4 CCCNCC(=O)N 2230a_100000711301_100000210303 [0,1,1,0,0,0|1,0,1]=4 433 B7R0.4 CCCOCC(=O)N 34a_100000210258_100000187820 [0,1,1,0,0,0|1,0,1]=4 434 B7R0.4 CCCSCC(=O)N 62a_100000210303_100000747473 [0,1,1,0,0,0|1,0,1]=4 435 B7R0.4 CCCSCC(=O)N 62a_100000747473_100000210303 [0,1,1,0,0,0|1,0,1]=4 436 B7R0.4 CCNCCC(=O)N 2230a_100015525214_100000744528 [0,1,1,0,0,0|1,0,1]=4 437 B7R0.4 CCOCCC(=O)N 34a_100000757172_100000210202 [0,1,1,0,0,0|1,0,1]=4 438 B7R0.4 CCOCCC(=O)N 34a_100121572206_100000731001 [0,1,1,0,0,0|1,0,1]=4 439 B7R0.4 CCOCCC(=O)N 7a_100000757172_100000210202 [0,1,1,0,0,0|1,0,1]=4 440 B7R0.4 CCSCCC(=O)N 62a_100000210202_100000744528 [0,1,1,0,0,0|1,0,1]=4 441 B7R0.4 CCSCCC(=O)N 62a_100000744528_100000210202 [0,1,1,0,0,0|1,0,1]=4 442 B7R0.4 CNCCCC(=O)N 34a_100000739312_200000210301 [0,1,1,0,0,0|1,0,1]=4 443 B7R0.4 CNCCCC(=O)N 34a_100102657272_100102525003 [0,1,1,0,0,0|1,0,1]=4 444 B7R0.4 CNCCCC(=O)N 7a_106832991635_100102525003 [0,1,1,0,0,0|1,0,1]=4 445 B7R0.4 CNCCNC(=O)N 2230a_106832991635_200000034859 [0,1,1,0,0,0|2,0,0]=4 446 B7R0.4 CNCCNC(=O)N 34a_100020590234_200000210301 [0,1,1,0,0,0|2,0,0]=4 447 B7R0.4 CNCCNC(=O)N 7a_106832991635_200000034859 [0,1,1,0,0,0|2,0,0]=4 448 B7R0.4 CNCCOC(=O)N 34a_100102657272_200011214921 [0,1,1,0,0,0|2,0,0]=4 449 B7R0.4 CNCCOC(=O)N 7a_106832991635_200011214921 [0,1,1,0,0,0|2,0,0]=4 450 B7R0.4 COCCCC(=O)N 34a_100138415774_100102525003 [0,1,1,0,0,0|0,0,2]=4 451 B7R0.4 COCCNC(=O)N 34a_100000181757_200000210301 [0,1,1,0,0,0|2,0,0]=4 452 B7R0.4 COCCOC(=O)N 34a_100138415774_200011214921 [0,1,1,0,0,0|2,0,0]=4 453 B7R0.4 COCCOC(=O)N 7a_100000766696_200000210301 [0,1,1,0,0,0|2,0,0]=4 454 B7R0.4 COCNCC(=O)N 2230a_100000711301_100000766300 [0,1,1,0,0,0|2,0,0]=4 455 B7R0.4 COCSCC(=O)N 62a_100000747473_100000766300 [0,1,1,0,0,0|2,0,0]=4 456 B7R0.4 COCSCC(=O)N 62a_100000766300_100000747473 [0,1,1,0,0,0|2,0,0]=4 457 B7R0.4 CSCCCC(=O)N 62a_100102525003_200000210301 [0,1,1,0,0,0|0,1,1]=4 458 B7R0.4 CSCCCC(=O)N 62a_200000210301_100102525003 [0,1,1,0,0,0|0,1,1]=4 459 B7R0.4 CSCCNC(=O)N 62a_200000034859_200000210301 [0,1,1,0,0,0|2,0,0]=4 460 B7R0.4 CSCCNC(=O)N 62a_200000210301_200000034859 [0,1,1,0,0,0|2,0,0]=4 461 B7R0.4 CSCCOC(=O)N 62a_200000210301_200011214921 [0,1,1,0,0,0|2,0,0]=4 462 B7R0.4 CSCCOC(=O)N 62a_200011214921_200000210301 [0,1,1,0,0,0|2,0,0]=4 463 B7R0.4 CSCNCC(=O)N 2230a_100000711301_100011218213 [0,1,1,0,0,0|2,0,0]=4 464 B7R0.4 CSCSCC(=O)N 62a_100000747473_100011218213 [0,1,1,0,0,0|2,0,0]=4 465 B7R0.4 CSCSCC(=O)N 62a_100011218213_100000747473 [0,1,1,0,0,0|2,0,0]=4 466 B7R0.4 C[C@@H](N)COCC=O 34a_100000737577_200009817547 [0,1,1,0,0,0|1,0,1]=4 467 B7R0.4 N#CCNCC(=O)N 2230a_100000711301_100011215382 [0,1,1,0,0,0|1,0,1]=4 468 B7R0.4 N#CCSCC(=O)N 62a_100000747473_100011215382 [0,1,1,0,0,0|1,0,1]=4 469 B7R0.4 N#CCSCC(=O)N 62a_100011215382_100000747473 [0,1,1,0,0,0|1,0,1]=4 470 B7R0.4 NC(=O)CCOCF 34a_100000757172_100015361967 [0,1,1,0,0,0|1,0,1]=4 471 B7R0.4 NC(=O)CCOCF 7a_100000757172_100015361967 [0,1,1,0,0,0|1,0,1]=4 472 B7R0.4 NC(=O)CCSCF 62a_100000744528_100015361967 [0,1,1,0,0,0|1,0,1]=4 473 B7R0.4 NC(=O)CCSCF 62a_100015361967_100000744528 [0,1,1,0,0,0|1,0,1]=4 474 B7R0.4 NC(=O)CNCC=O 2230a_100000711301_200015260668 [0,1,1,0,0,0|0,0,0]=2 475 B7R0.4 NC(=O)CNCCF 2230a_100000711301_100011217306 [0,1,1,0,0,0|1,0,1]=4 476 B7R0.4 NC(=O)CNCCF 34a_100000724931_100000187820 [0,1,1,0,0,0|1,0,1]=4 477 B7R0.4 NC(=O)CNCCO 2230a_100000711301_100000211926 [0,1,1,0,0,0|0,0,2]=4 478 B7R0.4 NC(=O)CNCCO 2230a_100016997473_100000747473 [0,1,1,0,0,0|0,0,2]=4 479 B7R0.4 NC(=O)CNCCO 34a_100016990907_100000187820 [0,1,1,0,0,0|0,0,2]=4 480 B7R0.4 NC(=O)COCCBr 34a_100000211926_100000187820 [0,1,1,0,0,0|1,0,1]=4 481 B7R0.4 NC(=O)CSCC=O 62a_100000747473_200015260668 [0,1,1,0,0,0|0,0,0]=2 482 B7R0.4 NC(=O)CSCC=O 62a_200015260668_100000747473 [0,1,1,0,0,0|0,0,0]=2 483 B7R0.4 NC(=O)CSCCF 62a_100000747473_100011217306 [0,1,1,0,0,0|1,0,1]=4 484 B7R0.4 NC(=O)CSCCF 62a_100011217306_100000747473 [0,1,1,0,0,0|1,0,1]=4 485 B7R0.4 NC(=O)CSCCO 62a_100000211926_100000747473 [0,1,1,0,0,0|0,0,2]=4 486 B7R0.4 NC(=O)CSCCO 62a_100000747473_100000211926 [0,1,1,0,0,0|0,0,2]=4 487 B7R0.4 NCCOCC(=O)N 34a_100000210304_100000187820 [0,1,1,0,0,0|1,0,1]=4 488 B7R0.4 O=CCNCC(=O)O 269956a_100016091260_200015260668 [0,1,1,0,0,0|1,0,0]=3 489 B7R0.4 O=CCSCC(=O)[O-] 62a_100020667443_200015260668 [0,1,1,0,0,0|1,0,0]=3 490 B7R0.4 O=CCSCC(=O)[O-] 62a_200015260668_100020667443 [0,1,1,0,0,0|1,0,0]=3 491 B7R0.4 O=CCSC[N+](=O)[O-] 62a_200015260668_100000761209 [0,1,1,0,0,0|2,0,0]=4 492 B7R0.4 [13CH3]NCCCC(=O)N 34a_100000739312_200025704644 [0,1,1,0,0,0|1,0,1]=4 493 B7R0.4 [13CH3]NCCNC(=O)N 34a_100020590234_200025704644 [0,1,1,0,0,0|2,0,0]=4 494 B7R0.4 [13CH3]OCCNC(=O)N 34a_100000181757_200025704644 [0,1,1,0,0,0|2,0,0]=4 495 B7R0.4 [13CH3]OCCOC(=O)N 7a_100000766696_200025704644 [0,1,1,0,0,0|2,0,0]=4 496 B7R0.4 [13CH3]SCCCC(=O)N 62a_100102525003_200025704644 [0,1,1,0,0,0|0,1,1]=4 497 B7R0.4 [13CH3]SCCCC(=O)N 62a_200025704644_100102525003 [0,1,1,0,0,0|0,1,1]=4 498 B7R0.4 [13CH3]SCCNC(=O)N 62a_200000034859_200025704644 [0,1,1,0,0,0|2,0,0]=4 499 B7R0.4 [13CH3]SCCNC(=O)N 62a_200025704644_200000034859 [0,1,1,0,0,0|2,0,0]=4 500 B7R0.4 [13CH3]SCCOC(=O)N 62a_200011214921_200025704644 [0,1,1,0,0,0|2,0,0]=4 501 B7R0.4 [13CH3]SCCOC(=O)N 62a_200025704644_200011214921 [0,1,1,0,0,0|2,0,0]=4 502 B7R0.6 C=C(C)CCC(=O)C 1458a_100000070787_100000730704 [0,1,1,0,0,0|2,0,0]=4 503 B7R0.6 C=C(C)CCC(=O)C 1458a_200000688413_200000210301 [0,1,1,0,0,0|2,0,0]=4 504 B7R0.6 C=C(C)CCC(=O)[13CH3] 1458a_200000688413_200025704644 [0,1,1,0,0,0|2,0,0]=4 505 B7R0.6 CC(=O)CCC(=O)N 1458a_100011215257_200000210301 [0,1,1,0,0,0|0,0,0]=2 506 B7R0.6 CC(=O)CC[N+](=O)[O-] 1458a_200000064761_200000210301 [0,1,1,0,0,0|2,0,0]=4 507 B7R0.6 CC(=O)CNC(=O)C 1458a_100000194580_200000210301 [0,1,1,0,0,0|2,0,0]=4 508 B7R0.6 CC(=O)CNC(=O)N 1458a_100000184981_200000210301 [0,1,1,0,0,0|1,0,0]=3 509 B7R0.6 CC(=O)COC(=O)C 1458a_100000183556_200000210301 [0,1,1,0,0,0|2,0,0]=4 510 B7R0.6 CC(=O)CSC(=O)C 1458a_100000049016_200000210301 [0,1,1,0,0,0|2,0,0]=4 511 B7R0.6 CC(=O)NCC(=O)N 11a_100000711301_100015343762 [0,1,1,0,0,0|1,0,0]=3 512 B7R0.6 CC(=O)NCC(=O)N 240690a_100000711301_100015343762 [0,1,1,0,0,0|1,0,0]=3 513 B7R0.6 CC(=O)NCC(=O)N 527a_100000711301_100103153847 [0,1,1,0,0,0|1,0,0]=3 514 B7R0.6 CC(=O)NCC(=O)[13CH3] 1458a_100000194580_200025704644 [0,1,1,0,0,0|2,0,0]=4 515 B7R0.6 CC(=O)OCC(=O)[13CH3] 1458a_100000183556_200025704644 [0,1,1,0,0,0|2,0,0]=4 516 B7R0.6 CC(=O)SCC(=O)[13CH3] 1458a_100000049016_200025704644 [0,1,1,0,0,0|2,0,0]=4 517 B7R0.6 CN(C)CCC(=O)N 2230a_100000730477_200000210301 [0,1,1,0,0,0|2,0,0]=4 518 B7R0.6 CN(C)CCC(=O)N 2230a_100102631434_100000744528 [0,1,1,0,0,0|2,0,0]=4 519 B7R0.6 CN(C)CCC(=O)N 269982a_100102631434_100000744528 [0,1,1,0,0,0|2,0,0]=4 520 B7R0.6 CN([13CH3])CCC(=O)N 2230a_100000730477_200025704644 [0,1,1,0,0,0|2,0,0]=4 521 B7R0.6 [13CH3]C(=O)CCC(=O)N 1458a_100011215257_200025704644 [0,1,1,0,0,0|0,0,0]=2 522 B7R0.6 [13CH3]C(=O)CC[N+](=O)[O-] 1458a_200000064761_200025704644 [0,1,1,0,0,0|2,0,0]=4 523 B7R0.6 [13CH3]C(=O)CNC(=O)N 1458a_100000184981_200025704644 [0,1,1,0,0,0|1,0,0]=3 524 B7R1.8 CNC1CCC1=O 34a_100102657272_100009892977 [0,1,0,0,1,0|1,0,1]=4 525 B7R1.8 CNC1CCC1=O 7a_106832991635_100009892977 [0,1,0,0,1,0|1,0,1]=4 526 B7R1.8 COC1CCC1=O 34a_100138415774_100009892977 [0,1,0,0,1,0|0,0,2]=4 527 B7R1.8 CSC1CCC1=O 62a_100009892977_200000210301 [0,1,0,0,1,0|0,1,1]=4 528 B7R1.8 CSC1CCC1=O 62a_200000210301_100009892977 [0,1,0,0,1,0|0,1,1]=4 529 B7R1.8 [13CH3]SC1CCC1=O 62a_100009892977_200025704644 [0,1,0,0,1,0|0,1,1]=4 530 B7R1.8 [13CH3]SC1CCC1=O 62a_200025704644_100009892977 [0,1,0,0,1,0|0,1,1]=4 531 B9R1.1 CNC1CCC(=O)NC1 2230a_100000748762_200000210301 [0,1,0,0,0,1|1,0,1]=4 532 B9R1.1 CNC1CCC(=O)NC1 34a_100000748762_200000210301 [0,1,0,0,0,1|1,0,1]=4 533 B9R1.1 COC1CCC(=O)NC1 34a_100000079199_200000210301 [0,1,0,0,0,1|0,0,2]=4 534 B9R1.1 [13CH3]NC1CCC(=O)NC1 2230a_100000748762_200025704644 [0,1,0,0,0,1|1,0,1]=4 535 B9R1.1 [13CH3]NC1CCC(=O)NC1 34a_100000748762_200025704644 [0,1,0,0,0,1|1,0,1]=4 536 B9R1.1 [13CH3]OC1CCC(=O)NC1 34a_100000079199_200025704644 [0,1,0,0,0,1|0,0,2]=4 537 B9R1.34 O=c1cc([nH]c(=O)[nH]1)O 271570a_203496583355_100000015670 [0,1,0,0,0,1|0,0,2]=4 538 B9R1.7 CNC[C@@H]1CCC(=O)N1 2230a_106832991635_100015189358 [0,2,0,0,0,0|1,0,1]=4 539 B9R1.7 CNC[C@@H]1CCC(=O)N1 7a_106832991635_100015189358 [0,2,0,0,0,0|1,0,1]=4 540 B9R1.7 CNC[C@H]1CCC(=O)N1 2230a_100015423886_200000210301 [0,2,0,0,0,0|1,0,1]=4 541 B9R1.7 CNC[C@H]1CCC(=O)N1 34a_100015423886_200000210301 [0,2,0,0,0,0|1,0,1]=4 542 B9R1.7 COCC1CCC(=O)N1 34a_100000737831_200000210301 [0,2,0,0,0,0|0,0,2]=4 543 B9R1.7 CSC[C@@H]1CCC(=O)N1 62a_100015189358_200000210301 [0,2,0,0,0,0|0,1,1]=4 544 B9R1.7 CSC[C@@H]1CCC(=O)N1 62a_200000210301_100015189358 [0,2,0,0,0,0|0,1,1]=4 545 B9R1.7 [13CH3]NC[C@H]1CCC(=O)N1 2230a_100015423886_200025704644 [0,2,0,0,0,0|1,0,1]=4 546 B9R1.7 [13CH3]NC[C@H]1CCC(=O)N1 34a_100015423886_200025704644 [0,2,0,0,0,0|1,0,1]=4 547 B9R1.7 [13CH3]OCC1CCC(=O)N1 34a_100000737831_200025704644 [0,2,0,0,0,0|0,0,2]=4 548 B9R1.7 [13CH3]SC[C@@H]1CCC(=O)N1 62a_100015189358_200025704644 [0,2,0,0,0,0|0,1,1]=4 549 B9R1.7 [13CH3]SC[C@@H]1CCC(=O)N1 62a_200025704644_100015189358 [0,2,0,0,0,0|0,1,1]=4 550 B9R1.22 CNC1CC(=O)NC1=O 2230a_100102712934_200000210301 [0,2,0,0,0,0|0,0,0]=2 551 B9R1.22 [13CH3]NC1CC(=O)NC1=O 2230a_100102712934_200025704644 [0,2,0,0,0,0|0,0,0]=2 552 B9R1.35 CC(=O)C1CCC(=O)N1 1458a_100000210400_200000210301 [0,2,0,0,0,0|0,0,1]=3 553 B9R1.35 CC(=O)C1CNC(=O)N1 1458a_100000033324_200000210301 [0,2,0,0,0,0|1,0,1]=4 554 B9R1.35 CC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_200000210301 [0,2,0,0,0,0|1,0,1]=4 555 B9R1.35 CC(=O)[C@@H]1CSC(=O)N1 1458a_100000735014_200000210301 [0,2,0,0,0,0|1,0,1]=4 556 B9R1.35 [13CH3]C(=O)C1CCC(=O)N1 1458a_100000210400_200025704644 [0,2,0,0,0,0|0,0,1]=3 557 B9R1.35 [13CH3]C(=O)C1CNC(=O)N1 1458a_100000033324_200025704644 [0,2,0,0,0,0|1,0,1]=4 558 B9R1.35 [13CH3]C(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_200025704644 [0,2,0,0,0,0|1,0,1]=4 559 B9R1.35 [13CH3]C(=O)[C@@H]1CSC(=O)N1 1458a_100000735014_200025704644 [0,2,0,0,0,0|1,0,1]=4 560 B9R1.27 CNC1C(=O)CCC1=O 2230a_106832991635_100009820769 [0,2,0,0,0,0|1,0,0]=3 561 B9R1.27 CNC1C(=O)CCC1=O 7a_106832991635_100009820769 [0,2,0,0,0,0|1,0,0]=3 562 B9R1.27 CNC1C(=O)COC1=O 34a_100102657272_100000032967 [0,2,0,0,0,0|2,0,0]=4 563 B9R1.27 COC1C(=O)COC1=O 34a_100138415774_100000032967 [0,2,0,0,0,0|2,0,0]=4 564 B9R1.27 CSC1C(=O)CCC1=O 62a_100009820769_200000210301 [0,2,0,0,0,0|1,0,0]=3 565 B9R1.27 CSC1C(=O)CCC1=O 62a_200000210301_100009820769 [0,2,0,0,0,0|1,0,0]=3 566 B9R1.27 CSC1C(=O)COC1=O 62a_200000210301_100000032967 [0,2,0,0,0,0|2,0,0]=4 567 B9R1.27 [13CH3]SC1C(=O)CCC1=O 62a_100009820769_200025704644 [0,2,0,0,0,0|1,0,0]=3 568 B9R1.27 [13CH3]SC1C(=O)CCC1=O 62a_200025704644_100009820769 [0,2,0,0,0,0|1,0,0]=3 569 B9R1.27 [13CH3]SC1C(=O)COC1=O 62a_200025704644_100000032967 [0,2,0,0,0,0|2,0,0]=4 570 B7R1.20 CC(=O)NC1CC1 1626a_100000212008_100015343762 [0,0,1,1,0,0|1,0,1]=4 571 B7R1.20 CC(=O)NC1CC1 240690a_100000212008_100015343762 [0,0,1,1,0,0|1,0,1]=4 572 B7R1.20 CC(=O)NC1CC1 527a_100000212008_100103153847 [0,0,1,1,0,0|1,0,1]=4 573 B5R0.5 C=C(C)C(=O)C 1458a_100000185857_200000210301 [0,0,1,0,1,0|1,0,0]=3 574 B5R0.5 C=C(C)C(=O)[13CH3] 1458a_100000185857_200025704644 [0,0,1,0,1,0|1,0,0]=3 575 B5R0.5 CC(=O)C(C)C 1458a_100000070787_100000210206 [0,0,1,0,1,0|1,0,1]=4 576 B5R0.5 CC(=O)C(C)C 1458a_100000210198_200000210301 [0,0,1,0,1,0|1,0,1]=4 577 B5R0.5 CC(=O)C(C)F 1458a_100000062450_200000210301 [0,0,1,0,1,0|1,0,1]=4 578 B5R0.5 CC(=O)N(C)C 11a_100102631434_100015343762 [0,0,1,0,1,0|2,0,0]=4 579 B5R0.5 CC(=O)N(C)C 1626a_100102631434_100015343762 [0,0,1,0,1,0|2,0,0]=4 580 B5R0.5 CC(=O)N(C)C 240690a_100102631434_100015343762 [0,0,1,0,1,0|2,0,0]=4 581 B5R0.5 CC(=O)N(C)C 527a_100102631434_100103153847 [0,0,1,0,1,0|2,0,0]=4 582 B5R0.5 CC(=O)[C@@H](C)O 1458a_100000717761_200000210301 [0,0,1,0,1,0|0,0,2]=4 583 B5R0.5 CC(=O)[C@H](C)O 1458a_217856618621_200000210301 [0,0,1,0,1,0|0,0,2]=4 584 B5R0.5 CC(C)C(=O)[13CH3] 1458a_100000210198_200025704644 [0,0,1,0,1,0|1,0,1]=4 585 B5R0.5 CC(F)C(=O)[13CH3] 1458a_100000062450_200025704644 [0,0,1,0,1,0|1,0,1]=4 586 B5R0.5 C[C@@H](O)C(=O)[13CH3] 1458a_100000717761_200025704644 [0,0,1,0,1,0|0,0,2]=4 587 B5R0.5 C[C@H](O)C(=O)[13CH3] 1458a_217856618621_200025704644 [0,0,1,0,1,0|0,0,2]=4 588 B9R1.49 CN1CCNC(=O)CC1 2230a_100000698595_200000210301 [0,0,0,0,0,2|2,0,0]=4 589 B9R1.49 CN1CCNC(=O)CC1 269982a_100000698595_200000210301 [0,0,0,0,0,2|2,0,0]=4 590 B9R1.49 [13CH3]N1CCNC(=O)CC1 2230a_100000698595_200025704644 [0,0,0,0,0,2|2,0,0]=4 591 B9R1.49 [13CH3]N1CCNC(=O)CC1 269982a_100000698595_200025704644 [0,0,0,0,0,2|2,0,0]=4