0 B7R0.4 C#CCCCN(C)C 2230a_100102631434_100000731252 [0,0,0,0,0,0|4,0,0]=4 1 B7R0.4 C#CCCCN(C)C 269982a_100102631434_100011215417 [0,0,0,0,0,0|4,0,0]=4 2 B7R0.4 C#CCCNC(C)C 2230a_100138425928_100000688953 [0,0,0,0,0,0|4,0,0]=4 3 B7R0.4 C#CCCNC(C)C 34a_100000755551_100000210206 [0,0,0,0,0,0|4,0,0]=4 4 B7R0.4 C#CCCNC(C)C 34a_100138425928_100000688953 [0,0,0,0,0,0|4,0,0]=4 5 B7R0.4 C#CCCOC(C)C 34a_100000212225_100000688953 [0,0,0,0,0,0|4,0,0]=4 6 B7R0.4 C#CCCOC(C)C 34a_100011215631_100000210206 [0,0,0,0,0,0|4,0,0]=4 7 B7R0.4 C#CCCSC(C)C 62a_100000210206_100000688953 [0,0,0,0,0,0|4,0,0]=4 8 B7R0.4 C#CCCSC(C)C 62a_100000688953_100000210206 [0,0,0,0,0,0|4,0,0]=4 9 B7R0.4 C#CCNCC(C)C 2230a_100000210953_100000038162 [0,0,0,0,0,0|4,0,0]=4 10 B7R0.4 C#CCNCC(C)C 34a_100000210953_100000184674 [0,0,0,0,0,0|4,0,0]=4 11 B7R0.4 C#CCNCC(C)C 34a_100000212058_100000210624 [0,0,0,0,0,0|4,0,0]=4 12 B7R0.4 C#CCOCC(C)C 34a_100000210247_100000210624 [0,0,0,0,0,0|4,0,0]=4 13 B7R0.4 C#CCOCC(C)C 34a_100000210257_100000184674 [0,0,0,0,0,0|4,0,0]=4 14 B7R0.4 C#CCSCC(C)C 62a_100000038162_100000210760 [0,0,0,0,0,0|4,0,0]=4 15 B7R0.4 C/C=C/CNC(C)C 34a_100138425928_100102629194 [0,0,0,0,0,0|4,0,0]=4 16 B7R0.4 C/C=C/COC(C)C 34a_100000212225_100102629194 [0,0,0,0,0,0|4,0,0]=4 17 B7R0.4 C/C=C/COC(C)C 34a_100016270725_100000210206 [0,0,0,0,0,0|4,0,0]=4 18 B7R0.4 C/C=C/CSC(C)C 62a_100000210206_100102629194 [0,0,0,0,0,0|4,0,0]=4 19 B7R0.4 C/C=C/CSC(C)C 62a_100102629194_100000210206 [0,0,0,0,0,0|4,0,0]=4 20 B7R0.4 C=C(C)CCOCC 34a_100000764851_100000210202 [0,0,0,0,0,0|2,0,2]=4 21 B7R0.4 C=C(C)CCOCC 34a_100121572206_100000730704 [0,0,0,0,0,0|2,0,2]=4 22 B7R0.4 C=C(C)CCOCF 34a_100000764851_100015361967 [0,0,0,0,0,0|2,0,2]=4 23 B7R0.4 C=CCCCN(C)C 2230a_100102631434_100011713584 [0,0,0,0,0,0|4,0,0]=4 24 B7R0.4 C=CCCCN(C)C 269982a_100102631434_100000757094 [0,0,0,0,0,0|4,0,0]=4 25 B7R0.4 C=CCCNC(C)C 2230a_100015191253_100000210206 [0,0,0,0,0,0|4,0,0]=4 26 B7R0.4 C=CCCNC(C)C 2230a_100138425928_100000754431 [0,0,0,0,0,0|4,0,0]=4 27 B7R0.4 C=CCCNC(C)C 34a_100138425928_100000754431 [0,0,0,0,0,0|4,0,0]=4 28 B7R0.4 C=CCCOC(C)C 34a_100000212225_100000754431 [0,0,0,0,0,0|4,0,0]=4 29 B7R0.4 C=CCCOC(C)C 34a_100011205117_100000210206 [0,0,0,0,0,0|4,0,0]=4 30 B7R0.4 C=CCCSC(C)C 62a_100000210206_100000754431 [0,0,0,0,0,0|4,0,0]=4 31 B7R0.4 C=CCCSC(C)C 62a_100000754431_100000210206 [0,0,0,0,0,0|4,0,0]=4 32 B7R0.4 C=CCNCC(C)C 2230a_100000210953_100000210623 [0,0,0,0,0,0|4,0,0]=4 33 B7R0.4 C=CCNCC(C)C 2230a_100020586998_100000210760 [0,0,0,0,0,0|4,0,0]=4 34 B7R0.4 C=CCNCC(C)C 270004a_100020586998_100000210432 [0,0,0,0,0,0|4,0,0]=4 35 B7R0.4 C=CCNCC(C)C 34a_100000210953_100015514636 [0,0,0,0,0,0|4,0,0]=4 36 B7R0.4 C=CCOCC(C)C 34a_100000210257_100015514636 [0,0,0,0,0,0|4,0,0]=4 37 B7R0.4 C=CCOCC(C)C 34a_200000210373_100000210624 [0,0,0,0,0,0|4,0,0]=4 38 B7R0.4 C=CCSCC(C)C 62a_100000210623_100000210760 [0,0,0,0,0,0|4,0,0]=4 39 B7R0.4 C=CCSCC(C)C 62a_100000210624_100000210623 [0,0,0,0,0,0|4,0,0]=4 40 B7R0.4 C=COCCC(=O)C 1458a_100000070787_100000039644 [0,0,0,0,0,0|3,0,1]=4 41 B7R0.4 C=COCCN(C)C 2230a_100102631434_100000039644 [0,0,0,0,0,0|3,0,0]=3 42 B7R0.4 C=COCCN(C)C 269982a_100102631434_100000039644 [0,0,0,0,0,0|3,0,0]=3 43 B7R0.4 CC#CCNC(C)C 2230a_100000685387_100000210206 [0,0,0,0,0,0|4,0,0]=4 44 B7R0.4 CC#CCNC(C)C 2230a_100138425928_100000748600 [0,0,0,0,0,0|4,0,0]=4 45 B7R0.4 CC#CCNC(C)C 34a_100000685387_100000210206 [0,0,0,0,0,0|4,0,0]=4 46 B7R0.4 CC#CCNC(C)C 34a_100138425928_100000748600 [0,0,0,0,0,0|4,0,0]=4 47 B7R0.4 CC#CCOC(C)C 34a_100000212225_100000748600 [0,0,0,0,0,0|4,0,0]=4 48 B7R0.4 CC#CCOC(C)C 34a_100000761923_100000210206 [0,0,0,0,0,0|4,0,0]=4 49 B7R0.4 CC#CCSC(C)C 62a_100000210206_100000748600 [0,0,0,0,0,0|4,0,0]=4 50 B7R0.4 CC#CCSC(C)C 62a_100000748600_100000210206 [0,0,0,0,0,0|4,0,0]=4 51 B7R0.4 CC(=CCOCF)C 34a_100000753907_100015361967 [0,0,0,0,0,0|2,0,2]=4 52 B7R0.4 CC(=O)CCOCF 34a_100000759926_100015361967 [0,0,0,0,0,0|3,0,1]=4 53 B7R0.4 CC(=O)CCOCF 7a_100000759926_100015361967 [0,0,0,0,0,0|3,0,1]=4 54 B7R0.4 CC(Br)CCOCF 34a_100009893172_100015361967 [0,0,0,0,0,0|3,0,0]=3 55 B7R0.4 CC(Br)COCC=O 34a_100012180447_200009817547 [0,0,0,0,0,0|4,0,0]=4 56 B7R0.4 CC(C)CCCN[13CH3] 2230a_200000737386_200025704644 [0,0,0,0,0,0|2,0,1]=3 57 B7R0.4 CC(C)CCCN[13CH3] 34a_200000737386_200025704644 [0,0,0,0,0,0|2,0,1]=3 58 B7R0.4 CC(C)CCCO[13CH3] 34a_100000210774_200025704644 [0,0,0,0,0,0|3,0,0]=3 59 B7R0.4 CC(C)CCCO[13CH3] 7a_100000210774_200025704644 [0,0,0,0,0,0|3,0,0]=3 60 B7R0.4 CC(C)CCCS[13CH3] 62a_100011214892_200025704644 [0,0,0,0,0,0|3,0,0]=3 61 B7R0.4 CC(C)CCCS[13CH3] 62a_200025704644_100011214892 [0,0,0,0,0,0|3,0,0]=3 62 B7R0.4 CC(C)CCOCF 34a_100000210254_100015361967 [0,0,0,0,0,0|2,0,0]=2 63 B7R0.4 CC(C)CCOCF 7a_100000210254_100015361967 [0,0,0,0,0,0|2,0,0]=2 64 B7R0.4 CC(C)CCSCF 62a_100000210312_100015361967 [0,0,0,0,0,0|2,1,0]=3 65 B7R0.4 CC(C)CCSCF 62a_100015361967_100000210312 [0,0,0,0,0,0|2,1,0]=3 66 B7R0.4 CC(C)CNCC#N 2230a_100000210953_100011215382 [0,0,0,0,0,0|4,0,0]=4 67 B7R0.4 CC(C)CNCC=O 2230a_100000210953_200015260668 [0,0,0,0,0,0|3,0,0]=3 68 B7R0.4 CC(C)CNCC=O 34a_100000210953_200009817547 [0,0,0,0,0,0|3,0,0]=3 69 B7R0.4 CC(C)CNCCF 2230a_100000210953_100011217306 [0,0,0,0,0,0|4,0,0]=4 70 B7R0.4 CC(C)CNCCF 34a_100000210953_100011217306 [0,0,0,0,0,0|4,0,0]=4 71 B7R0.4 CC(C)CNCCF 34a_100000724931_100000210624 [0,0,0,0,0,0|4,0,0]=4 72 B7R0.4 CC(C)CNCCO 2230a_100000210953_100000211926 [0,0,0,0,0,0|3,0,1]=4 73 B7R0.4 CC(C)CNCCO 2230a_100016997473_100000210760 [0,0,0,0,0,0|3,0,1]=4 74 B7R0.4 CC(C)CNCCO 270004a_100000210304_100000210432 [0,0,0,0,0,0|3,0,1]=4 75 B7R0.4 CC(C)CNCCO 34a_100000210953_100000211926 [0,0,0,0,0,0|3,0,1]=4 76 B7R0.4 CC(C)CNCCO 34a_100016990907_100000210624 [0,0,0,0,0,0|3,0,1]=4 77 B7R0.4 CC(C)COCC=O 34a_100000210257_200009817547 [0,0,0,0,0,0|3,0,0]=3 78 B7R0.4 CC(C)COCCBr 34a_100000211926_100000210624 [0,0,0,0,0,0|4,0,0]=4 79 B7R0.4 CC(C)COCCF 34a_100000210257_100011217306 [0,0,0,0,0,0|4,0,0]=4 80 B7R0.4 CC(C)COCCN 34a_100000210304_100000210624 [0,0,0,0,0,0|4,0,0]=4 81 B7R0.4 CC(C)COCCO 34a_100000210257_100000211926 [0,0,0,0,0,0|3,0,1]=4 82 B7R0.4 CC(C)CSCC#N 62a_100000210624_100011215382 [0,0,0,0,0,0|4,0,0]=4 83 B7R0.4 CC(C)CSCC#N 62a_100011215382_100000210760 [0,0,0,0,0,0|4,0,0]=4 84 B7R0.4 CC(C)CSCC=O 62a_100000210624_200015260668 [0,0,0,0,0,0|3,0,0]=3 85 B7R0.4 CC(C)CSCC=O 62a_200015260668_100000210760 [0,0,0,0,0,0|3,0,0]=3 86 B7R0.4 CC(C)CSCCF 62a_100000210624_100011217306 [0,0,0,0,0,0|4,0,0]=4 87 B7R0.4 CC(C)CSCCF 62a_100011217306_100000210760 [0,0,0,0,0,0|4,0,0]=4 88 B7R0.4 CC(C)CSCCO 62a_100000210624_100000211926 [0,0,0,0,0,0|3,0,1]=4 89 B7R0.4 CC(C)CSCCO 62a_100000211926_100000210760 [0,0,0,0,0,0|3,0,1]=4 90 B7R0.4 CC(C)NCCC#N 2230a_100138425928_100011215226 [0,0,0,0,0,0|4,0,0]=4 91 B7R0.4 CC(C)NCCCF 2230a_100015189416_100000210206 [0,0,0,0,0,0|4,0,0]=4 92 B7R0.4 CC(C)NCCCF 2230a_100138425928_100011934791 [0,0,0,0,0,0|4,0,0]=4 93 B7R0.4 CC(C)NCCCF 34a_100015189416_100000210206 [0,0,0,0,0,0|4,0,0]=4 94 B7R0.4 CC(C)NCCCF 34a_100138425928_100011934791 [0,0,0,0,0,0|4,0,0]=4 95 B7R0.4 CC(C)NCCCO 2230a_100138425928_100000230001 [0,0,0,0,0,0|3,0,1]=4 96 B7R0.4 CC(C)NCCCO 34a_100138425928_100000230001 [0,0,0,0,0,0|3,0,1]=4 97 B7R0.4 CC(C)NCCO[13CH3] 34a_100000224655_200025704644 [0,0,0,0,0,0|4,0,0]=4 98 B7R0.4 CC(C)OCCCBr 34a_100011217188_100000210206 [0,0,0,0,0,0|4,0,0]=4 99 B7R0.4 CC(C)OCCCCl 34a_100000230001_100000210206 [0,0,0,0,0,0|4,0,0]=4 100 B7R0.4 CC(C)OCCCF 34a_100000212225_100011934791 [0,0,0,0,0,0|4,0,0]=4 101 B7R0.4 CC(C)OCCCF 34a_100000759539_100000210206 [0,0,0,0,0,0|4,0,0]=4 102 B7R0.4 CC(C)OCCCN 34a_100000182051_100000210206 [0,0,0,0,0,0|4,0,0]=4 103 B7R0.4 CC(C)OCCCO 34a_100000212225_100000230001 [0,0,0,0,0,0|3,0,1]=4 104 B7R0.4 CC(C)OCCN[13CH3] 2230a_100000701111_200025704644 [0,0,0,0,0,0|3,0,1]=4 105 B7R0.4 CC(C)OCCN[13CH3] 34a_100000701111_200025704644 [0,0,0,0,0,0|3,0,1]=4 106 B7R0.4 CC(C)OCCON 34a_100000700252_100000210206 [0,0,0,0,0,0|4,0,0]=4 107 B7R0.4 CC(C)OCCO[13CH3] 34a_100000211219_200025704644 [0,0,0,0,0,0|4,0,0]=4 108 B7R0.4 CC(C)OCCO[13CH3] 7a_100000211219_200025704644 [0,0,0,0,0,0|4,0,0]=4 109 B7R0.4 CC(C)OCCS[13CH3] 62a_100000211751_200025704644 [0,0,0,0,0,0|4,0,0]=4 110 B7R0.4 CC(C)OCCS[13CH3] 62a_200025704644_100000211751 [0,0,0,0,0,0|4,0,0]=4 111 B7R0.4 CC(C)OCSCF 62a_100000709892_100015361967 [0,0,0,0,0,0|3,1,0]=4 112 B7R0.4 CC(C)OCSCF 62a_100015361967_100000709892 [0,0,0,0,0,0|3,1,0]=4 113 B7R0.4 CC(C)SCCC#N 62a_100000210206_100011215226 [0,0,0,0,0,0|4,0,0]=4 114 B7R0.4 CC(C)SCCC#N 62a_100011215226_100000210206 [0,0,0,0,0,0|4,0,0]=4 115 B7R0.4 CC(C)SCCCF 62a_100000210206_100011934791 [0,0,0,0,0,0|4,0,0]=4 116 B7R0.4 CC(C)SCCCF 62a_100011934791_100000210206 [0,0,0,0,0,0|4,0,0]=4 117 B7R0.4 CC(C)SCCCO 62a_100000210206_100011215043 [0,0,0,0,0,0|3,0,1]=4 118 B7R0.4 CC(C)SCCCO 62a_100011215043_100000210206 [0,0,0,0,0,0|3,0,1]=4 119 B7R0.4 CC(C)SCCN[13CH3] 2230a_100000731138_200025704644 [0,0,0,0,0,0|3,0,1]=4 120 B7R0.4 CC(C)SCCN[13CH3] 34a_100000731138_200025704644 [0,0,0,0,0,0|3,0,1]=4 121 B7R0.4 CC(C)SCCO[13CH3] 34a_200011212901_200025704644 [0,0,0,0,0,0|4,0,0]=4 122 B7R0.4 CC(C)SCCO[13CH3] 7a_200011212901_200025704644 [0,0,0,0,0,0|4,0,0]=4 123 B7R0.4 CC(C)SCCS[13CH3] 62a_100000730970_200025704644 [0,0,0,0,0,0|4,0,0]=4 124 B7R0.4 CC(C)SCCS[13CH3] 62a_200025704644_100000730970 [0,0,0,0,0,0|4,0,0]=4 125 B7R0.4 CC(C)SCSC#N 62a_100000210206_100000211825 [0,0,0,0,0,0|3,1,0]=4 126 B7R0.4 CC(C)SCSC#N 62a_100000211825_100000210206 [0,0,0,0,0,0|3,1,0]=4 127 B7R0.4 CC(F)COCC=O 34a_100015925927_200009817547 [0,0,0,0,0,0|4,0,0]=4 128 B7R0.4 CC(O)CCCS[13CH3] 62a_200000718107_200025704644 [0,0,0,0,0,0|4,0,0]=4 129 B7R0.4 CC(O)CCCS[13CH3] 62a_200025704644_200000718107 [0,0,0,0,0,0|4,0,0]=4 130 B7R0.4 CC(O)CCSCF 62a_100012276601_100015361967 [0,0,0,0,0,0|3,1,0]=4 131 B7R0.4 CC(O)CCSCF 62a_100015361967_100012276601 [0,0,0,0,0,0|3,1,0]=4 132 B7R0.4 CC(O)CNCC=O 2230a_100000210904_200015260668 [0,0,0,0,0,0|4,0,0]=4 133 B7R0.4 CC(O)CNCC=O 34a_100000210904_200009817547 [0,0,0,0,0,0|4,0,0]=4 134 B7R0.4 CC(O)CSCC=O 62a_100011218427_200015260668 [0,0,0,0,0,0|4,0,0]=4 135 B7R0.4 CC(O)CSCC=O 62a_200015260668_100011218427 [0,0,0,0,0,0|4,0,0]=4 136 B7R0.4 CC=CCNC(C)C 2230a_100138425928_100000070051 [0,0,0,0,0,0|4,0,0]=4 137 B7R0.4 CC=CCNC(C)C 34a_100138425928_100000070051 [0,0,0,0,0,0|4,0,0]=4 138 B7R0.4 CC=CCOC(C)C 34a_100000212225_100000070051 [0,0,0,0,0,0|4,0,0]=4 139 B7R0.4 CC=CCSC(C)C 62a_100000070051_100000210206 [0,0,0,0,0,0|4,0,0]=4 140 B7R0.4 CC=CCSC(C)C 62a_100000210206_100000070051 [0,0,0,0,0,0|4,0,0]=4 141 B7R0.4 CCCCCN(C)C 2230a_100000223495_200000210301 [0,0,0,0,0,0|4,0,0]=4 142 B7R0.4 CCCCCN(C)C 2230a_100102631434_100000210326 [0,0,0,0,0,0|4,0,0]=4 143 B7R0.4 CCCCCN(C)C 269982a_100000223495_200000210301 [0,0,0,0,0,0|4,0,0]=4 144 B7R0.4 CCCCCN(C)C 269982a_100102631434_100000210215 [0,0,0,0,0,0|4,0,0]=4 145 B7R0.4 CCCCCN(C)[13CH3] 2230a_100000223495_200025704644 [0,0,0,0,0,0|4,0,0]=4 146 B7R0.4 CCCCCN(C)[13CH3] 269982a_100000223495_200025704644 [0,0,0,0,0,0|4,0,0]=4 147 B7R0.4 CCCCNC(C)C 2230a_100000102301_100000210206 [0,0,0,0,0,0|4,0,0]=4 148 B7R0.4 CCCCNC(C)C 2230a_100138425928_100000210211 [0,0,0,0,0,0|4,0,0]=4 149 B7R0.4 CCCCNC(C)C 34a_100138425928_100000210210 [0,0,0,0,0,0|4,0,0]=4 150 B7R0.4 CCCCNC(C)C 7a_106832991798_100000210206 [0,0,0,0,0,0|4,0,0]=4 151 B7R0.4 CCCCOC(C)C 34a_100000210227_100000210206 [0,0,0,0,0,0|4,0,0]=4 152 B7R0.4 CCCCOC(C)C 34a_100000212225_100000210210 [0,0,0,0,0,0|4,0,0]=4 153 B7R0.4 CCCCOC(C)C 7a_100000210227_100000210206 [0,0,0,0,0,0|4,0,0]=4 154 B7R0.4 CCCCSC(C)C 62a_100000210206_100000210210 [0,0,0,0,0,0|4,0,0]=4 155 B7R0.4 CCCCSC(C)C 62a_100000210211_100000210206 [0,0,0,0,0,0|4,0,0]=4 156 B7R0.4 CCCNCC(C)C 2230a_100000210953_100000210303 [0,0,0,0,0,0|4,0,0]=4 157 B7R0.4 CCCNCC(C)C 270004a_100020643023_100000210432 [0,0,0,0,0,0|4,0,0]=4 158 B7R0.4 CCCNCC(C)C 34a_100000210953_100000210303 [0,0,0,0,0,0|4,0,0]=4 159 B7R0.4 CCCOCC(C)C 34a_100000210257_100000210303 [0,0,0,0,0,0|4,0,0]=4 160 B7R0.4 CCCOCC(C)C 34a_100000210258_100000210624 [0,0,0,0,0,0|4,0,0]=4 161 B7R0.4 CCCSCC(C)C 62a_100000210303_100000210760 [0,0,0,0,0,0|4,0,0]=4 162 B7R0.4 CCCSCC(C)C 62a_100000210624_100000210303 [0,0,0,0,0,0|4,0,0]=4 163 B7R0.4 CCNCCC(C)C 2230a_100015525214_100000210312 [0,0,0,0,0,0|3,0,0]=3 164 B7R0.4 CCNCCC(C)C 269862a_100015525214_100000185833 [0,0,0,0,0,0|3,0,0]=3 165 B7R0.4 CCNCCC(C)O 2230a_100015525214_100012276601 [0,0,0,0,0,0|4,0,0]=4 166 B7R0.4 CCNCCC(C)O 2230a_200000755665_100000210202 [0,0,0,0,0,0|4,0,0]=4 167 B7R0.4 CCNCOC(C)C 2230a_100015525214_100000709892 [0,0,0,0,0,0|4,0,0]=4 168 B7R0.4 CCOCC=C(C)C 34a_100000753907_100000210202 [0,0,0,0,0,0|2,0,2]=4 169 B7R0.4 CCOCC=C(C)C 34a_100121572206_100000761012 [0,0,0,0,0,0|2,0,2]=4 170 B7R0.4 CCOCCC(=O)C 1458a_100000070787_100011215890 [0,0,0,0,0,0|3,0,1]=4 171 B7R0.4 CCOCCC(=O)C 1458a_100000749530_200000210301 [0,0,0,0,0,0|3,0,1]=4 172 B7R0.4 CCOCCC(=O)C 34a_100000759926_100000210202 [0,0,0,0,0,0|3,0,1]=4 173 B7R0.4 CCOCCC(=O)C 7a_100000759926_100000210202 [0,0,0,0,0,0|3,0,1]=4 174 B7R0.4 CCOCCC(=O)[13CH3] 1458a_100000749530_200025704644 [0,0,0,0,0,0|3,0,1]=4 175 B7R0.4 CCOCCC(C)Br 34a_100009893172_100000210202 [0,0,0,0,0,0|3,0,0]=3 176 B7R0.4 CCOCCC(C)C 34a_100000210254_100000210202 [0,0,0,0,0,0|2,0,0]=2 177 B7R0.4 CCOCCC(C)C 34a_100121572206_100000210312 [0,0,0,0,0,0|2,0,0]=2 178 B7R0.4 CCOCCC(C)C 7a_100000210254_100000210202 [0,0,0,0,0,0|2,0,0]=2 179 B7R0.4 CCOCCC(C)O 34a_100121572206_100012276601 [0,0,0,0,0,0|3,0,0]=3 180 B7R0.4 CCOCCC(F)F 34a_100103093639_100000210202 [0,0,0,0,0,0|4,0,0]=4 181 B7R0.4 CCOCCN(C)C 2230a_100102631434_100011215890 [0,0,0,0,0,0|3,0,0]=3 182 B7R0.4 CCOCCN(C)C 269982a_100102631434_100011215890 [0,0,0,0,0,0|3,0,0]=3 183 B7R0.4 CCOCC[C@@H](C)N 34a_100000706166_100000210202 [0,0,0,0,0,0|3,0,0]=3 184 B7R0.4 CCOCOC(C)C 34a_100121572206_100000709892 [0,0,0,0,0,0|3,0,0]=3 185 B7R0.4 CCOCSC(C)C 62a_100000210206_100000739092 [0,0,0,0,0,0|3,0,0]=3 186 B7R0.4 CCOCSC(C)C 62a_100000739092_100000210206 [0,0,0,0,0,0|3,0,0]=3 187 B7R0.4 CCSCCC(C)C 62a_100000210202_100000210312 [0,0,0,0,0,0|2,1,0]=3 188 B7R0.4 CCSCCC(C)C 62a_100000210312_100000210202 [0,0,0,0,0,0|2,1,0]=3 189 B7R0.4 CCSCCC(C)O 62a_100000210202_100012276601 [0,0,0,0,0,0|3,1,0]=4 190 B7R0.4 CCSCCC(C)O 62a_100012276601_100000210202 [0,0,0,0,0,0|3,1,0]=4 191 B7R0.4 CCSCCN(C)C 2230a_100102631434_100000757381 [0,0,0,0,0,0|3,1,0]=4 192 B7R0.4 CCSCCN(C)C 269982a_100102631434_100000757381 [0,0,0,0,0,0|3,1,0]=4 193 B7R0.4 CCSCCN(C)C 62a_100000210202_100000755713 [0,0,0,0,0,0|3,1,0]=4 194 B7R0.4 CCSCOC(C)C 62a_100000210202_100000709892 [0,0,0,0,0,0|3,1,0]=4 195 B7R0.4 CCSCOC(C)C 62a_100000709892_100000210202 [0,0,0,0,0,0|3,1,0]=4 196 B7R0.4 CN(C)CCCC#N 2230a_100102631434_100000687738 [0,0,0,0,0,0|4,0,0]=4 197 B7R0.4 CN(C)CCCC#N 269982a_100102631434_100000687738 [0,0,0,0,0,0|4,0,0]=4 198 B7R0.4 CN(C)CCCC=O 2230a_100102631434_200011292268 [0,0,0,0,0,0|3,0,0]=3 199 B7R0.4 CN(C)CCCC=O 269982a_100102631434_200011292268 [0,0,0,0,0,0|3,0,0]=3 200 B7R0.4 CN(C)CCCCF 2230a_100102631434_100000729493 [0,0,0,0,0,0|4,0,0]=4 201 B7R0.4 CN(C)CCCCF 269982a_100102631434_100000729493 [0,0,0,0,0,0|4,0,0]=4 202 B7R0.4 CN(C)CCCCO 2230a_100000717598_200000210301 [0,0,0,0,0,0|3,0,1]=4 203 B7R0.4 CN(C)CCCCO 2230a_100102631434_100000210776 [0,0,0,0,0,0|3,0,1]=4 204 B7R0.4 CN(C)CCCCO 269982a_100000717598_200000210301 [0,0,0,0,0,0|3,0,1]=4 205 B7R0.4 CN(C)CCCCO 269982a_100102631434_100000210776 [0,0,0,0,0,0|3,0,1]=4 206 B7R0.4 CN(C)CCCS[13CH3] 62a_200025704644_100000757444 [0,0,0,0,0,0|4,0,0]=4 207 B7R0.4 CN(C)CCSC#N 269982a_100102631434_100000034367 [0,0,0,0,0,0|3,1,0]=4 208 B7R0.4 CN(C)CCSCF 62a_100015361967_100000755713 [0,0,0,0,0,0|3,1,0]=4 209 B7R0.4 CN([13CH3])CCCCO 2230a_100000717598_200025704644 [0,0,0,0,0,0|3,0,1]=4 210 B7R0.4 CN([13CH3])CCCCO 269982a_100000717598_200025704644 [0,0,0,0,0,0|3,0,1]=4 211 B7R0.4 CNCCCC(C)C 2230a_106832991635_100011214892 [0,0,0,0,0,0|2,0,1]=3 212 B7R0.4 CNCCCC(C)C 2230a_200000737386_200000210301 [0,0,0,0,0,0|2,0,1]=3 213 B7R0.4 CNCCCC(C)C 34a_100102657272_100011214892 [0,0,0,0,0,0|2,0,1]=3 214 B7R0.4 CNCCCC(C)C 34a_200000737386_200000210301 [0,0,0,0,0,0|2,0,1]=3 215 B7R0.4 CNCCCC(C)C 7a_106832991635_100011214892 [0,0,0,0,0,0|2,0,1]=3 216 B7R0.4 CNCCCC(C)O 2230a_106832991635_200000718107 [0,0,0,0,0,0|3,0,1]=4 217 B7R0.4 CNCCCC(C)O 34a_100102657272_200000718107 [0,0,0,0,0,0|3,0,1]=4 218 B7R0.4 CNCCCC(C)O 7a_106832991635_200000718107 [0,0,0,0,0,0|3,0,1]=4 219 B7R0.4 CNCCCN(C)C 7a_106832991635_100000757444 [0,0,0,0,0,0|3,0,1]=4 220 B7R0.4 CNCCOC(C)C 2230a_100000701111_200000210301 [0,0,0,0,0,0|3,0,1]=4 221 B7R0.4 CNCCOC(C)C 2230a_106832991635_100000211751 [0,0,0,0,0,0|3,0,1]=4 222 B7R0.4 CNCCOC(C)C 34a_100000701111_200000210301 [0,0,0,0,0,0|3,0,1]=4 223 B7R0.4 CNCCOC(C)C 34a_100102657272_100000211751 [0,0,0,0,0,0|3,0,1]=4 224 B7R0.4 CNCCOC(C)C 7a_106832991635_100000211751 [0,0,0,0,0,0|3,0,1]=4 225 B7R0.4 CNCCSC(C)C 2230a_100000731138_200000210301 [0,0,0,0,0,0|3,0,1]=4 226 B7R0.4 CNCCSC(C)C 2230a_106832991635_100000730970 [0,0,0,0,0,0|3,0,1]=4 227 B7R0.4 CNCCSC(C)C 34a_100000731138_200000210301 [0,0,0,0,0,0|3,0,1]=4 228 B7R0.4 CNCCSC(C)C 34a_100102657272_100000730970 [0,0,0,0,0,0|3,0,1]=4 229 B7R0.4 CNCCSC(C)C 7a_106832991635_100000730970 [0,0,0,0,0,0|3,0,1]=4 230 B7R0.4 COCCCC(C)C 34a_100000210774_200000210301 [0,0,0,0,0,0|3,0,0]=3 231 B7R0.4 COCCCC(C)C 34a_100138415774_100011214892 [0,0,0,0,0,0|3,0,0]=3 232 B7R0.4 COCCCC(C)C 7a_100000210774_200000210301 [0,0,0,0,0,0|3,0,0]=3 233 B7R0.4 COCCCC(C)O 34a_100138415774_200000718107 [0,0,0,0,0,0|4,0,0]=4 234 B7R0.4 COCCCN(C)C 2230a_100000224831_200000210301 [0,0,0,0,0,0|4,0,0]=4 235 B7R0.4 COCCCN(C)C 2230a_100102631434_100000740836 [0,0,0,0,0,0|4,0,0]=4 236 B7R0.4 COCCCN(C)C 269982a_100000224831_200000210301 [0,0,0,0,0,0|4,0,0]=4 237 B7R0.4 COCCCN(C)C 269982a_100102631434_100000740836 [0,0,0,0,0,0|4,0,0]=4 238 B7R0.4 COCCCN(C)[13CH3] 2230a_100000224831_200025704644 [0,0,0,0,0,0|4,0,0]=4 239 B7R0.4 COCCCN(C)[13CH3] 269982a_100000224831_200025704644 [0,0,0,0,0,0|4,0,0]=4 240 B7R0.4 COCCNC(C)C 2230a_100000209980_100000210206 [0,0,0,0,0,0|4,0,0]=4 241 B7R0.4 COCCNC(C)C 2230a_100138425928_100011201679 [0,0,0,0,0,0|4,0,0]=4 242 B7R0.4 COCCNC(C)C 34a_100000224655_200000210301 [0,0,0,0,0,0|4,0,0]=4 243 B7R0.4 COCCNC(C)C 34a_100138425928_100011201679 [0,0,0,0,0,0|4,0,0]=4 244 B7R0.4 COCCOC(C)C 34a_100000210237_100000210206 [0,0,0,0,0,0|4,0,0]=4 245 B7R0.4 COCCOC(C)C 34a_100000211219_200000210301 [0,0,0,0,0,0|4,0,0]=4 246 B7R0.4 COCCOC(C)C 34a_100000212225_100011201679 [0,0,0,0,0,0|4,0,0]=4 247 B7R0.4 COCCOC(C)C 34a_100138415774_100000211751 [0,0,0,0,0,0|4,0,0]=4 248 B7R0.4 COCCOC(C)C 7a_100000211219_200000210301 [0,0,0,0,0,0|4,0,0]=4 249 B7R0.4 COCCSC(C)C 34a_100138415774_100000730970 [0,0,0,0,0,0|4,0,0]=4 250 B7R0.4 COCCSC(C)C 34a_200011212901_200000210301 [0,0,0,0,0,0|4,0,0]=4 251 B7R0.4 COCCSC(C)C 62a_100000210206_100000233755 [0,0,0,0,0,0|4,0,0]=4 252 B7R0.4 COCCSC(C)C 62a_100000233755_100000210206 [0,0,0,0,0,0|4,0,0]=4 253 B7R0.4 COCCSC(C)C 7a_200011212901_200000210301 [0,0,0,0,0,0|4,0,0]=4 254 B7R0.4 COCNCC(C)C 2230a_100000210953_100000766300 [0,0,0,0,0,0|4,0,0]=4 255 B7R0.4 COCSCC(C)C 62a_100000210624_100000766300 [0,0,0,0,0,0|4,0,0]=4 256 B7R0.4 COCSCC(C)C 62a_100000766300_100000210760 [0,0,0,0,0,0|4,0,0]=4 257 B7R0.4 CSCCCC(C)C 62a_100011214892_200000210301 [0,0,0,0,0,0|3,0,0]=3 258 B7R0.4 CSCCCC(C)C 62a_200000210301_100011214892 [0,0,0,0,0,0|3,0,0]=3 259 B7R0.4 CSCCCC(C)O 62a_200000210301_200000718107 [0,0,0,0,0,0|4,0,0]=4 260 B7R0.4 CSCCCC(C)O 62a_200000718107_200000210301 [0,0,0,0,0,0|4,0,0]=4 261 B7R0.4 CSCCCN(C)C 62a_200000210301_100000757444 [0,0,0,0,0,0|4,0,0]=4 262 B7R0.4 CSCCNC(C)C 2230a_100020590264_100000210206 [0,0,0,0,0,0|4,0,0]=4 263 B7R0.4 CSCCNC(C)C 2230a_100138425928_100000751147 [0,0,0,0,0,0|4,0,0]=4 264 B7R0.4 CSCCNC(C)C 34a_100138425928_100000212216 [0,0,0,0,0,0|4,0,0]=4 265 B7R0.4 CSCCOC(C)C 34a_100000212225_100000212216 [0,0,0,0,0,0|4,0,0]=4 266 B7R0.4 CSCCOC(C)C 34a_100000230434_100000210206 [0,0,0,0,0,0|4,0,0]=4 267 B7R0.4 CSCCOC(C)C 62a_100000211751_200000210301 [0,0,0,0,0,0|4,0,0]=4 268 B7R0.4 CSCCOC(C)C 62a_200000210301_100000211751 [0,0,0,0,0,0|4,0,0]=4 269 B7R0.4 CSCCOC(C)C 7a_100000230434_100000210206 [0,0,0,0,0,0|4,0,0]=4 270 B7R0.4 CSCCSC(C)C 62a_100000210206_100000751147 [0,0,0,0,0,0|4,0,0]=4 271 B7R0.4 CSCCSC(C)C 62a_100000212216_100000210206 [0,0,0,0,0,0|4,0,0]=4 272 B7R0.4 CSCCSC(C)C 62a_100000730970_200000210301 [0,0,0,0,0,0|4,0,0]=4 273 B7R0.4 CSCCSC(C)C 62a_200000210301_100000730970 [0,0,0,0,0,0|4,0,0]=4 274 B7R0.4 CSCNCC(C)C 2230a_100000210953_100011218213 [0,0,0,0,0,0|4,0,0]=4 275 B7R0.4 CSCNCC(C)C 34a_100000210953_100011218213 [0,0,0,0,0,0|4,0,0]=4 276 B7R0.4 CSCOCC(C)C 34a_100000210257_100011218213 [0,0,0,0,0,0|4,0,0]=4 277 B7R0.4 CSCSCC(C)C 62a_100000210624_100011218213 [0,0,0,0,0,0|4,0,0]=4 278 B7R0.4 CSCSCC(C)C 62a_100011218213_100000210760 [0,0,0,0,0,0|4,0,0]=4 279 B7R0.4 C[C@@H](Cl)COCC=O 34a_100016084084_200009817547 [0,0,0,0,0,0|4,0,0]=4 280 B7R0.4 C[C@@H](N)CCOCF 34a_100000706166_100015361967 [0,0,0,0,0,0|3,0,0]=3 281 B7R0.4 C[C@@H](N)COCC=O 34a_100000737577_200009817547 [0,0,0,0,0,0|4,0,0]=4 282 B7R0.4 C[C@@H](O)CSCC=O 62a_100009817552_200015260668 [0,0,0,0,0,0|4,0,0]=4 283 B7R0.4 C[C@@H](O)CSCC=O 62a_200015260668_100009817552 [0,0,0,0,0,0|4,0,0]=4 284 B7R0.4 FCOCCC(F)F 34a_100103093639_100015361967 [0,0,0,0,0,0|4,0,0]=4 285 B6R0.4 C#CCCN(C)C 2230a_100102631434_100000688953 [1,0,0,0,0,0|3,0,0]=4 286 B6R0.4 C#CCCN(C)C 269982a_100102631434_100000730999 [1,0,0,0,0,0|3,0,0]=4 287 B6R0.4 C#CCNC(C)C 2230a_100138425928_100000038162 [1,0,0,0,0,0|3,0,0]=4 288 B6R0.4 C#CCNC(C)C 34a_100000212058_100000210206 [1,0,0,0,0,0|3,0,0]=4 289 B6R0.4 C#CCNC(C)C 34a_100138425928_100000184674 [1,0,0,0,0,0|3,0,0]=4 290 B6R0.4 C#CCOC(C)C 34a_100000210247_100000210206 [1,0,0,0,0,0|3,0,0]=4 291 B6R0.4 C#CCOC(C)C 34a_100000212225_100000184674 [1,0,0,0,0,0|3,0,0]=4 292 B6R0.4 C#CCSC(C)C 62a_100000038162_100000210206 [1,0,0,0,0,0|3,0,0]=4 293 B6R0.4 C=C(C)CCOC 34a_100000764851_200000210301 [1,0,0,0,0,0|1,0,2]=4 294 B6R0.4 C=C(C)CCOC 34a_100138415774_100000730704 [1,0,0,0,0,0|1,0,2]=4 295 B6R0.4 C=C(C)CCO[13CH3] 34a_100000764851_200025704644 [1,0,0,0,0,0|1,0,2]=4 296 B6R0.4 C=CCCN(C)C 2230a_100020639649_200000210301 [1,0,0,0,0,0|3,0,0]=4 297 B6R0.4 C=CCCN(C)C 2230a_100102631434_100000754431 [1,0,0,0,0,0|3,0,0]=4 298 B6R0.4 C=CCCN(C)C 269982a_100020639649_200000210301 [1,0,0,0,0,0|3,0,0]=4 299 B6R0.4 C=CCCN(C)C 269982a_100102631434_100000754431 [1,0,0,0,0,0|3,0,0]=4 300 B6R0.4 C=CCCN(C)[13CH3] 2230a_100020639649_200025704644 [1,0,0,0,0,0|3,0,0]=4 301 B6R0.4 C=CCCN(C)[13CH3] 269982a_100020639649_200025704644 [1,0,0,0,0,0|3,0,0]=4 302 B6R0.4 C=CCNC(C)C 2230a_100020586998_100000210206 [1,0,0,0,0,0|3,0,0]=4 303 B6R0.4 C=CCNC(C)C 2230a_100138425928_100000210623 [1,0,0,0,0,0|3,0,0]=4 304 B6R0.4 C=CCNC(C)C 34a_100138425928_100015514636 [1,0,0,0,0,0|3,0,0]=4 305 B6R0.4 C=CCOC(C)C 34a_100000212225_100015514636 [1,0,0,0,0,0|3,0,0]=4 306 B6R0.4 C=CCOC(C)C 34a_200000210373_100000210206 [1,0,0,0,0,0|3,0,0]=4 307 B6R0.4 C=CCSC(C)C 62a_100000210206_100000210623 [1,0,0,0,0,0|3,0,0]=4 308 B6R0.4 C=CCSC(C)C 62a_100000210623_100000210206 [1,0,0,0,0,0|3,0,0]=4 309 B6R0.4 CC(=CCO[13CH3])C 34a_100000753907_200025704644 [1,0,0,0,0,0|1,0,2]=4 310 B6R0.4 CC(=O)CCO[13CH3] 34a_100000759926_200025704644 [1,0,0,0,0,0|2,0,1]=4 311 B6R0.4 CC(=O)CCO[13CH3] 7a_100000759926_200025704644 [1,0,0,0,0,0|2,0,1]=4 312 B6R0.4 CC(Br)CCO[13CH3] 34a_100009893172_200025704644 [1,0,0,0,0,0|2,0,0]=3 313 B6R0.4 CC(Br)COCF 34a_100012180447_100015361967 [1,0,0,0,0,0|3,0,0]=4 314 B6R0.4 CC(C)CCO[13CH3] 34a_100000210254_200025704644 [1,0,0,0,0,0|1,0,0]=2 315 B6R0.4 CC(C)CCO[13CH3] 7a_100000210254_200025704644 [1,0,0,0,0,0|1,0,0]=2 316 B6R0.4 CC(C)CCS[13CH3] 62a_100000210312_200025704644 [1,0,0,0,0,0|1,1,0]=3 317 B6R0.4 CC(C)CCS[13CH3] 62a_200025704644_100000210312 [1,0,0,0,0,0|1,1,0]=3 318 B6R0.4 CC(C)CNCF 34a_100000210953_100015361967 [1,0,0,0,0,0|3,0,0]=4 319 B6R0.4 CC(C)COCF 34a_100000210257_100015361967 [1,0,0,0,0,0|2,0,0]=3 320 B6R0.4 CC(C)CSCF 62a_100000210624_100015361967 [1,0,0,0,0,0|2,1,0]=4 321 B6R0.4 CC(C)CSCF 62a_100015361967_100000210760 [1,0,0,0,0,0|2,1,0]=4 322 B6R0.4 CC(C)NCC#N 2230a_100138425928_100011215382 [1,0,0,0,0,0|2,0,1]=4 323 B6R0.4 CC(C)NCC=O 2230a_100138425928_200015260668 [1,0,0,0,0,0|2,0,0]=3 324 B6R0.4 CC(C)NCC=O 34a_100138425928_200009817547 [1,0,0,0,0,0|2,0,0]=3 325 B6R0.4 CC(C)NCCF 2230a_100138425928_100011217306 [1,0,0,0,0,0|3,0,0]=4 326 B6R0.4 CC(C)NCCF 34a_100000724931_100000210206 [1,0,0,0,0,0|3,0,0]=4 327 B6R0.4 CC(C)NCCF 34a_100138425928_100011217306 [1,0,0,0,0,0|3,0,0]=4 328 B6R0.4 CC(C)NCCO 2230a_100016997473_100000210206 [1,0,0,0,0,0|2,0,1]=4 329 B6R0.4 CC(C)NCCO 2230a_100138425928_100000211926 [1,0,0,0,0,0|2,0,1]=4 330 B6R0.4 CC(C)NCCO 34a_100016990907_100000210206 [1,0,0,0,0,0|2,0,1]=4 331 B6R0.4 CC(C)NCCO 34a_100138425928_100000211926 [1,0,0,0,0,0|2,0,1]=4 332 B6R0.4 CC(C)OCC=O 34a_100000212225_200009817547 [1,0,0,0,0,0|2,0,0]=3 333 B6R0.4 CC(C)OCCBr 34a_100000211926_100000210206 [1,0,0,0,0,0|3,0,0]=4 334 B6R0.4 CC(C)OCCF 34a_100000212225_100011217306 [1,0,0,0,0,0|3,0,0]=4 335 B6R0.4 CC(C)OCCN 34a_100000210304_100000210206 [1,0,0,0,0,0|2,0,1]=4 336 B6R0.4 CC(C)OCCO 34a_100000212225_100000211926 [1,0,0,0,0,0|2,0,1]=4 337 B6R0.4 CC(C)OCS[13CH3] 62a_100000709892_200025704644 [1,0,0,0,0,0|2,1,0]=4 338 B6R0.4 CC(C)OCS[13CH3] 62a_200025704644_100000709892 [1,0,0,0,0,0|2,1,0]=4 339 B6R0.4 CC(C)SCC#N 62a_100000210206_100011215382 [1,0,0,0,0,0|2,0,1]=4 340 B6R0.4 CC(C)SCC#N 62a_100011215382_100000210206 [1,0,0,0,0,0|2,0,1]=4 341 B6R0.4 CC(C)SCC=O 62a_100000210206_200015260668 [1,0,0,0,0,0|2,0,0]=3 342 B6R0.4 CC(C)SCC=O 62a_200015260668_100000210206 [1,0,0,0,0,0|2,0,0]=3 343 B6R0.4 CC(C)SCCF 62a_100000210206_100011217306 [1,0,0,0,0,0|3,0,0]=4 344 B6R0.4 CC(C)SCCF 62a_100011217306_100000210206 [1,0,0,0,0,0|3,0,0]=4 345 B6R0.4 CC(C)SCCO 62a_100000210206_100000211926 [1,0,0,0,0,0|2,0,1]=4 346 B6R0.4 CC(C)SCCO 62a_100000211926_100000210206 [1,0,0,0,0,0|2,0,1]=4 347 B6R0.4 CC(F)COCF 34a_100015925927_100015361967 [1,0,0,0,0,0|3,0,0]=4 348 B6R0.4 CC(O)CCN[13CH3] 2230a_200000755665_200025704644 [1,0,0,0,0,0|2,0,1]=4 349 B6R0.4 CC(O)CCS[13CH3] 62a_100012276601_200025704644 [1,0,0,0,0,0|2,1,0]=4 350 B6R0.4 CC(O)CCS[13CH3] 62a_200025704644_100012276601 [1,0,0,0,0,0|2,1,0]=4 351 B6R0.4 CCCCN(C)C 2230a_100000207549_200000210301 [1,0,0,0,0,0|3,0,0]=4 352 B6R0.4 CCCCN(C)C 2230a_100102631434_100000210211 [1,0,0,0,0,0|3,0,0]=4 353 B6R0.4 CCCCN(C)C 269982a_100000207549_200000210301 [1,0,0,0,0,0|3,0,0]=4 354 B6R0.4 CCCCN(C)C 269982a_100102631434_100000210211 [1,0,0,0,0,0|3,0,0]=4 355 B6R0.4 CCCCN(C)[13CH3] 2230a_100000207549_200025704644 [1,0,0,0,0,0|3,0,0]=4 356 B6R0.4 CCCCN(C)[13CH3] 269982a_100000207549_200025704644 [1,0,0,0,0,0|3,0,0]=4 357 B6R0.4 CCCNC(C)C 2230a_100138425928_100000210303 [1,0,0,0,0,0|3,0,0]=4 358 B6R0.4 CCCNC(C)C 34a_100138425928_100000210303 [1,0,0,0,0,0|3,0,0]=4 359 B6R0.4 CCCOC(C)C 34a_100000210258_100000210206 [1,0,0,0,0,0|3,0,0]=4 360 B6R0.4 CCCOC(C)C 34a_100000212225_100000210303 [1,0,0,0,0,0|3,0,0]=4 361 B6R0.4 CCCSC(C)C 62a_100000210206_100000210303 [1,0,0,0,0,0|3,0,0]=4 362 B6R0.4 CCCSC(C)C 62a_100000210303_100000210206 [1,0,0,0,0,0|3,0,0]=4 363 B6R0.4 CCNCC(C)C 2230a_100000210953_100000210202 [1,0,0,0,0,0|3,0,0]=4 364 B6R0.4 CCNCC(C)C 2230a_100015525214_100000210760 [1,0,0,0,0,0|3,0,0]=4 365 B6R0.4 CCNCC(C)C 270004a_100015525214_100000210432 [1,0,0,0,0,0|3,0,0]=4 366 B6R0.4 CCNCC(C)C 34a_100000210953_100000210202 [1,0,0,0,0,0|3,0,0]=4 367 B6R0.4 CCOCC(C)Br 34a_100012180447_100000210202 [1,0,0,0,0,0|3,0,0]=4 368 B6R0.4 CCOCC(C)C 34a_100000210257_100000210202 [1,0,0,0,0,0|2,0,0]=3 369 B6R0.4 CCOCC(C)C 34a_100121572206_100000210624 [1,0,0,0,0,0|2,0,0]=3 370 B6R0.4 CCOCC(C)F 34a_100015925927_100000210202 [1,0,0,0,0,0|3,0,0]=4 371 B6R0.4 CCOCC(C)O 34a_100121572206_100011218427 [1,0,0,0,0,0|3,0,0]=4 372 B6R0.4 CCOCN(C)C 269982a_100102631434_100000739092 [1,0,0,0,0,0|3,0,0]=4 373 B6R0.4 CCOC[C@@H](C)Cl 34a_100016084084_100000210202 [1,0,0,0,0,0|3,0,0]=4 374 B6R0.4 CCOC[C@@H](C)N 34a_100000737577_100000210202 [1,0,0,0,0,0|3,0,0]=4 375 B6R0.4 CCOC[C@@H](C)O 34a_100121572206_100009817552 [1,0,0,0,0,0|3,0,0]=4 376 B6R0.4 CCSCC(C)C 62a_100000210202_100000210760 [1,0,0,0,0,0|2,1,0]=4 377 B6R0.4 CCSCC(C)C 62a_100000210624_100000210202 [1,0,0,0,0,0|2,1,0]=4 378 B6R0.4 CN(C)CCC#N 2230a_100000184479_200000210301 [1,0,0,0,0,0|2,0,1]=4 379 B6R0.4 CN(C)CCC#N 2230a_100102631434_100011215226 [1,0,0,0,0,0|2,0,1]=4 380 B6R0.4 CN(C)CCC#N 269982a_100102631434_100011215226 [1,0,0,0,0,0|2,0,1]=4 381 B6R0.4 CN(C)CCCF 2230a_100102631434_100011934791 [1,0,0,0,0,0|3,0,0]=4 382 B6R0.4 CN(C)CCCF 269982a_100102631434_100011934791 [1,0,0,0,0,0|3,0,0]=4 383 B6R0.4 CN(C)CCCO 2230a_100000213112_200000210301 [1,0,0,0,0,0|2,0,1]=4 384 B6R0.4 CN(C)CCCO 2230a_100102631434_100000230001 [1,0,0,0,0,0|2,0,1]=4 385 B6R0.4 CN(C)CCCO 269982a_100000213112_200000210301 [1,0,0,0,0,0|2,0,1]=4 386 B6R0.4 CN(C)CCCO 269982a_100102631434_100011215043 [1,0,0,0,0,0|2,0,1]=4 387 B6R0.4 CN(C)CCS[13CH3] 62a_200025704644_100000755713 [1,0,0,0,0,0|2,1,0]=4 388 B6R0.4 CN([13CH3])CCC#N 2230a_100000184479_200025704644 [1,0,0,0,0,0|2,0,1]=4 389 B6R0.4 CN([13CH3])CCCO 2230a_100000213112_200025704644 [1,0,0,0,0,0|2,0,1]=4 390 B6R0.4 CN([13CH3])CCCO 269982a_100000213112_200025704644 [1,0,0,0,0,0|2,0,1]=4 391 B6R0.4 CNCCC(C)C 2230a_106832991635_100000210312 [1,0,0,0,0,0|1,0,1]=3 392 B6R0.4 CNCCC(C)C 269862a_106832991636_100000185833 [1,0,0,0,0,0|1,0,1]=3 393 B6R0.4 CNCCC(C)C 34a_100102657272_100000210312 [1,0,0,0,0,0|1,0,1]=3 394 B6R0.4 CNCCC(C)C 7a_106832991635_100000210626 [1,0,0,0,0,0|1,0,1]=3 395 B6R0.4 CNCCC(C)O 2230a_106832991635_100012276601 [1,0,0,0,0,0|2,0,1]=4 396 B6R0.4 CNCCC(C)O 2230a_200000755665_200000210301 [1,0,0,0,0,0|2,0,1]=4 397 B6R0.4 CNCCC(C)O 34a_100102657272_100012276601 [1,0,0,0,0,0|2,0,1]=4 398 B6R0.4 CNCCC(C)O 7a_106832991635_100012276601 [1,0,0,0,0,0|2,0,1]=4 399 B6R0.4 CNCCN(C)C 7a_106832991635_100000755713 [1,0,0,0,0,0|2,0,1]=4 400 B6R0.4 CNCOC(C)C 2230a_106832991635_100000709892 [1,0,0,0,0,0|2,0,1]=4 401 B6R0.4 CNCOC(C)C 34a_100102657272_100000709892 [1,0,0,0,0,0|2,0,1]=4 402 B6R0.4 COCC=C(C)C 34a_100000753907_200000210301 [1,0,0,0,0,0|1,0,2]=4 403 B6R0.4 COCC=C(C)C 34a_100138415774_100000761012 [1,0,0,0,0,0|1,0,2]=4 404 B6R0.4 COCCC(=O)C 1458a_100000070787_100000233755 [1,0,0,0,0,0|2,0,1]=4 405 B6R0.4 COCCC(=O)C 1458a_100000749529_200000210301 [1,0,0,0,0,0|2,0,1]=4 406 B6R0.4 COCCC(=O)C 34a_100000759926_200000210301 [1,0,0,0,0,0|2,0,1]=4 407 B6R0.4 COCCC(=O)C 7a_100000759926_200000210301 [1,0,0,0,0,0|2,0,1]=4 408 B6R0.4 COCCC(=O)[13CH3] 1458a_100000749529_200025704644 [1,0,0,0,0,0|2,0,1]=4 409 B6R0.4 COCCC(C)Br 34a_100009893172_200000210301 [1,0,0,0,0,0|2,0,0]=3 410 B6R0.4 COCCC(C)C 34a_100000210254_200000210301 [1,0,0,0,0,0|1,0,0]=2 411 B6R0.4 COCCC(C)C 34a_100138415774_100000210312 [1,0,0,0,0,0|1,0,0]=2 412 B6R0.4 COCCC(C)C 7a_100000210254_200000210301 [1,0,0,0,0,0|1,0,0]=2 413 B6R0.4 COCCC(C)O 34a_100138415774_100012276601 [1,0,0,0,0,0|2,0,0]=3 414 B6R0.4 COCCC(F)F 34a_100103093639_200000210301 [1,0,0,0,0,0|3,0,0]=4 415 B6R0.4 COCCN(C)C 2230a_100000743101_200000210301 [1,0,0,0,0,0|2,0,0]=3 416 B6R0.4 COCCN(C)C 2230a_100102631434_100011201679 [1,0,0,0,0,0|2,0,0]=3 417 B6R0.4 COCCN(C)C 269982a_100000743101_200000210301 [1,0,0,0,0,0|2,0,0]=3 418 B6R0.4 COCCN(C)C 269982a_100102631434_100000233755 [1,0,0,0,0,0|2,0,0]=3 419 B6R0.4 COCCN(C)[13CH3] 2230a_100000743101_200025704644 [1,0,0,0,0,0|2,0,0]=3 420 B6R0.4 COCCN(C)[13CH3] 269982a_100000743101_200025704644 [1,0,0,0,0,0|2,0,0]=3 421 B6R0.4 COCC[C@@H](C)N 34a_100000706166_200000210301 [1,0,0,0,0,0|2,0,0]=3 422 B6R0.4 COCNC(C)C 2230a_100138425928_100000766300 [1,0,0,0,0,0|2,0,0]=3 423 B6R0.4 COCOC(C)C 34a_100138415774_100000709892 [1,0,0,0,0,0|2,0,0]=3 424 B6R0.4 COCSC(C)C 62a_100000210206_100000766300 [1,0,0,0,0,0|2,0,0]=3 425 B6R0.4 COCSC(C)C 62a_100000766300_100000210206 [1,0,0,0,0,0|2,0,0]=3 426 B6R0.4 CSCCC(C)C 62a_100000210312_200000210301 [1,0,0,0,0,0|1,1,0]=3 427 B6R0.4 CSCCC(C)C 62a_200000210301_100000210312 [1,0,0,0,0,0|1,1,0]=3 428 B6R0.4 CSCCC(C)O 62a_100012276601_200000210301 [1,0,0,0,0,0|2,1,0]=4 429 B6R0.4 CSCCC(C)O 62a_200000210301_100012276601 [1,0,0,0,0,0|2,1,0]=4 430 B6R0.4 CSCCN(C)C 2230a_100000686725_200000210301 [1,0,0,0,0,0|2,1,0]=4 431 B6R0.4 CSCCN(C)C 2230a_100102631434_100000751147 [1,0,0,0,0,0|2,1,0]=4 432 B6R0.4 CSCCN(C)C 269982a_100000686725_200000210301 [1,0,0,0,0,0|2,1,0]=4 433 B6R0.4 CSCCN(C)C 269982a_100102631434_100000212216 [1,0,0,0,0,0|2,1,0]=4 434 B6R0.4 CSCCN(C)C 62a_200000210301_100000755713 [1,0,0,0,0,0|2,1,0]=4 435 B6R0.4 CSCCN(C)[13CH3] 2230a_100000686725_200025704644 [1,0,0,0,0,0|2,1,0]=4 436 B6R0.4 CSCCN(C)[13CH3] 269982a_100000686725_200025704644 [1,0,0,0,0,0|2,1,0]=4 437 B6R0.4 CSCNC(C)C 2230a_100138425928_100011218213 [1,0,0,0,0,0|2,1,0]=4 438 B6R0.4 CSCNC(C)C 34a_100138425928_100011218213 [1,0,0,0,0,0|2,1,0]=4 439 B6R0.4 CSCOC(C)C 34a_100000212225_100011218213 [1,0,0,0,0,0|2,1,0]=4 440 B6R0.4 CSCOC(C)C 62a_100000709892_200000210301 [1,0,0,0,0,0|2,1,0]=4 441 B6R0.4 CSCOC(C)C 62a_200000210301_100000709892 [1,0,0,0,0,0|2,1,0]=4 442 B6R0.4 CSCSC(C)C 62a_100000210206_100011218213 [1,0,0,0,0,0|2,1,0]=4 443 B6R0.4 CSCSC(C)C 62a_100011218213_100000210206 [1,0,0,0,0,0|2,1,0]=4 444 B6R0.4 C[C@@H](Cl)COCF 34a_100016084084_100015361967 [1,0,0,0,0,0|3,0,0]=4 445 B6R0.4 C[C@@H](N)CCO[13CH3] 34a_100000706166_200025704644 [1,0,0,0,0,0|2,0,0]=3 446 B6R0.4 C[C@@H](N)COCF 34a_100000737577_100015361967 [1,0,0,0,0,0|3,0,0]=4 447 B6R0.4 [13CH3]OCCC(F)F 34a_100103093639_200025704644 [1,0,0,0,0,0|3,0,0]=4 448 B6R0.6 C=COCCNC 2230a_106832991635_100000039644 [1,0,0,0,0,0|3,0,0]=4 449 B6R0.6 C=COCCNC 34a_100102657272_100000039644 [1,0,0,0,0,0|3,0,0]=4 450 B6R0.6 C=COCCNC 7a_106832991635_100000039644 [1,0,0,0,0,0|3,0,0]=4 451 B6R0.6 C=COCCOC 34a_100000033082_200000210301 [1,0,0,0,0,0|3,0,0]=4 452 B6R0.6 C=COCCOC 34a_100138415774_100000039644 [1,0,0,0,0,0|3,0,0]=4 453 B6R0.6 C=COCCO[13CH3] 34a_100000033082_200025704644 [1,0,0,0,0,0|3,0,0]=4 454 B6R0.6 C=COCCSC 62a_100000039644_200000210301 [1,0,0,0,0,0|3,0,0]=4 455 B6R0.6 C=COCCSC 62a_200000210301_100000039644 [1,0,0,0,0,0|3,0,0]=4 456 B6R0.6 C=COCCS[13CH3] 62a_100000039644_200025704644 [1,0,0,0,0,0|3,0,0]=4 457 B6R0.6 C=COCCS[13CH3] 62a_200025704644_100000039644 [1,0,0,0,0,0|3,0,0]=4 458 B6R0.6 CCCCCNC 2230a_100000209983_200000210301 [1,0,0,0,0,0|2,0,1]=4 459 B6R0.6 CCCCCNC 2230a_106832991635_100000210326 [1,0,0,0,0,0|2,0,1]=4 460 B6R0.6 CCCCCNC 34a_100102657272_100000718602 [1,0,0,0,0,0|2,0,1]=4 461 B6R0.6 CCCCCNC 7a_106832991635_100000210326 [1,0,0,0,0,0|2,0,1]=4 462 B6R0.6 CCCCCN[13CH3] 2230a_100000209983_200025704644 [1,0,0,0,0,0|2,0,1]=4 463 B6R0.6 CCCCCOC 34a_100000210253_200000210301 [1,0,0,0,0,0|3,0,0]=4 464 B6R0.6 CCCCCOC 34a_100138415774_100000718602 [1,0,0,0,0,0|3,0,0]=4 465 B6R0.6 CCCCCOC 7a_100000210253_200000210301 [1,0,0,0,0,0|3,0,0]=4 466 B6R0.6 CCCCCO[13CH3] 34a_100000210253_200025704644 [1,0,0,0,0,0|3,0,0]=4 467 B6R0.6 CCCCCO[13CH3] 7a_100000210253_200025704644 [1,0,0,0,0,0|3,0,0]=4 468 B6R0.6 CCCCCSC 62a_100000210326_200000210301 [1,0,0,0,0,0|3,0,0]=4 469 B6R0.6 CCCCCSC 62a_200000210301_100000210326 [1,0,0,0,0,0|3,0,0]=4 470 B6R0.6 CCCCCS[13CH3] 62a_100000210326_200025704644 [1,0,0,0,0,0|3,0,0]=4 471 B6R0.6 CCCCCS[13CH3] 62a_200025704644_100000210326 [1,0,0,0,0,0|3,0,0]=4 472 B6R0.6 CCCCNCC 2230a_100000102301_100000210202 [1,0,0,0,0,0|3,0,0]=4 473 B6R0.6 CCCCNCC 2230a_100015525214_100000210211 [1,0,0,0,0,0|3,0,0]=4 474 B6R0.6 CCCCNCC 7a_106832991798_100000210202 [1,0,0,0,0,0|3,0,0]=4 475 B6R0.6 CCCCNCF 7a_106832991798_100015361967 [1,0,0,0,0,0|3,0,0]=4 476 B6R0.6 CCCCOCC 34a_100000210227_100000210202 [1,0,0,0,0,0|2,0,0]=3 477 B6R0.6 CCCCOCC 34a_100121572206_100000210210 [1,0,0,0,0,0|2,0,0]=3 478 B6R0.6 CCCCOCC 7a_100000210227_100000210202 [1,0,0,0,0,0|2,0,0]=3 479 B6R0.6 CCCCOCF 34a_100000210227_100015361967 [1,0,0,0,0,0|2,0,0]=3 480 B6R0.6 CCCCOCF 7a_100000210227_100015361967 [1,0,0,0,0,0|2,0,0]=3 481 B6R0.6 CCCCSCC 62a_100000210202_100000210210 [1,0,0,0,0,0|2,1,0]=4 482 B6R0.6 CCCCSCC 62a_100000210211_100000210202 [1,0,0,0,0,0|2,1,0]=4 483 B6R0.6 CCCCSCF 62a_100000210211_100015361967 [1,0,0,0,0,0|2,1,0]=4 484 B6R0.6 CCCCSCF 62a_100015361967_100000210210 [1,0,0,0,0,0|2,1,0]=4 485 B6R0.6 CCCOCC=O 34a_100000210258_200009817547 [1,0,0,0,0,0|3,0,0]=4 486 B6R0.6 CCCSCC=O 62a_100000210303_200015260668 [1,0,0,0,0,0|3,0,0]=4 487 B6R0.6 CCCSCC=O 62a_200015260668_100000210303 [1,0,0,0,0,0|3,0,0]=4 488 B6R0.6 CCOCCCBr 34a_100011217188_100000210202 [1,0,0,0,0,0|3,0,0]=4 489 B6R0.6 CCOCCCCl 34a_100000230001_100000210202 [1,0,0,0,0,0|3,0,0]=4 490 B6R0.6 CCOCCCF 34a_100000759539_100000210202 [1,0,0,0,0,0|3,0,0]=4 491 B6R0.6 CCOCCCF 34a_100121572206_100011934791 [1,0,0,0,0,0|3,0,0]=4 492 B6R0.6 CCOCCCN 34a_100000182051_100000210202 [1,0,0,0,0,0|3,0,0]=4 493 B6R0.6 CCOCCCO 34a_100121572206_100000230001 [1,0,0,0,0,0|3,0,0]=4 494 B6R0.6 CCOCCNC 2230a_102516460346_200000210301 [1,0,0,0,0,0|3,0,0]=4 495 B6R0.6 CCOCCNC 2230a_106832991635_100011215890 [1,0,0,0,0,0|3,0,0]=4 496 B6R0.6 CCOCCNC 34a_100102657272_100000210147 [1,0,0,0,0,0|3,0,0]=4 497 B6R0.6 CCOCCNC 34a_102516460346_200000210301 [1,0,0,0,0,0|3,0,0]=4 498 B6R0.6 CCOCCNC 7a_106832991635_100011215890 [1,0,0,0,0,0|3,0,0]=4 499 B6R0.6 CCOCCN[13CH3] 2230a_102516460346_200025704644 [1,0,0,0,0,0|3,0,0]=4 500 B6R0.6 CCOCCN[13CH3] 34a_102516460346_200025704644 [1,0,0,0,0,0|3,0,0]=4 501 B6R0.6 CCOCCOC 34a_100000210136_200000210301 [1,0,0,0,0,0|3,0,0]=4 502 B6R0.6 CCOCCOC 34a_100000210237_100000210202 [1,0,0,0,0,0|3,0,0]=4 503 B6R0.6 CCOCCOC 34a_100121572206_100011201679 [1,0,0,0,0,0|3,0,0]=4 504 B6R0.6 CCOCCOC 34a_100138415774_100000210147 [1,0,0,0,0,0|3,0,0]=4 505 B6R0.6 CCOCCOC 7a_100000210136_200000210301 [1,0,0,0,0,0|3,0,0]=4 506 B6R0.6 CCOCCO[13CH3] 34a_100000210136_200025704644 [1,0,0,0,0,0|3,0,0]=4 507 B6R0.6 CCOCCO[13CH3] 7a_100000210136_200025704644 [1,0,0,0,0,0|3,0,0]=4 508 B6R0.6 CCOCCSC 34a_100000230434_100000210202 [1,0,0,0,0,0|3,0,0]=4 509 B6R0.6 CCOCCSC 34a_100121572206_100000212216 [1,0,0,0,0,0|3,0,0]=4 510 B6R0.6 CCOCCSC 62a_100000210147_200000210301 [1,0,0,0,0,0|3,0,0]=4 511 B6R0.6 CCOCCSC 62a_200000210301_100011215890 [1,0,0,0,0,0|3,0,0]=4 512 B6R0.6 CCOCCSC 7a_100000230434_100000210202 [1,0,0,0,0,0|3,0,0]=4 513 B6R0.6 CCOCCS[13CH3] 62a_100000210147_200025704644 [1,0,0,0,0,0|3,0,0]=4 514 B6R0.6 CCOCCS[13CH3] 62a_200025704644_100011215890 [1,0,0,0,0,0|3,0,0]=4 515 B6R0.6 CCOCSCC 62a_100000210202_100000739092 [1,0,0,0,0,0|3,0,0]=4 516 B6R0.6 CCOCSCC 62a_100000739092_100000210202 [1,0,0,0,0,0|3,0,0]=4 517 B6R0.6 CNCCCC=O 2230a_106832991635_200011292268 [1,0,0,0,0,0|3,0,0]=4 518 B6R0.6 CNCCCC=O 7a_106832991635_200011292268 [1,0,0,0,0,0|3,0,0]=4 519 B6R0.6 COCCOCF 34a_100000210237_100015361967 [1,0,0,0,0,0|3,0,0]=4 520 B6R0.6 CSCCCC=O 62a_200000210301_200011292268 [1,0,0,0,0,0|3,0,0]=4 521 B6R0.6 CSCCCC=O 62a_200011292268_200000210301 [1,0,0,0,0,0|3,0,0]=4 522 B6R0.6 CSCCOCF 34a_100000230434_100015361967 [1,0,0,0,0,0|3,0,0]=4 523 B6R0.6 CSCCOCF 7a_100000230434_100015361967 [1,0,0,0,0,0|3,0,0]=4 524 B6R0.6 FCCCOCF 34a_100000759539_100015361967 [1,0,0,0,0,0|3,0,0]=4 525 B6R0.6 FCOCCCBr 34a_100011217188_100015361967 [1,0,0,0,0,0|3,0,0]=4 526 B6R0.6 FCOCCCCl 34a_100000230001_100015361967 [1,0,0,0,0,0|3,0,0]=4 527 B6R0.6 NCCCOCF 34a_100000182051_100015361967 [1,0,0,0,0,0|3,0,0]=4 528 B6R0.6 [13CH3]SCCCC=O 62a_200011292268_200025704644 [1,0,0,0,0,0|3,0,0]=4 529 B6R0.6 [13CH3]SCCCC=O 62a_200025704644_200011292268 [1,0,0,0,0,0|3,0,0]=4 530 B8R0.5 CC(C)CC(C)OCF 34a_100000211805_100015361967 [0,1,0,0,0,0|2,0,0]=3 531 B8R0.5 CC(C)CC(C)OCF 7a_100000211805_100015361967 [0,1,0,0,0,0|2,0,0]=3 532 B8R0.5 CC(C)CC(C)SCF 62a_100000731052_100015361967 [0,1,0,0,0,0|2,1,0]=4 533 B8R0.5 CC(C)CC(C)SCF 62a_100015361967_100000731052 [0,1,0,0,0,0|2,1,0]=4 534 B8R0.5 CC(C)CN(C)CC=O 2230a_100000747067_200015260668 [0,1,0,0,0,0|3,0,0]=4 535 B8R0.5 CC(C)CN(C)CC=O 269982a_100000747067_200015260668 [0,1,0,0,0,0|3,0,0]=4 536 B8R0.5 CC(C)C[C@H](N)CO[13CH3] 34a_100011830311_200025704644 [0,1,0,0,0,0|3,0,0]=4 537 B8R0.5 CCNC(C)CC(C)C 2230a_100000692259_100000210202 [0,1,0,0,0,0|3,0,0]=4 538 B8R0.5 CCNC(C)CC(C)C 2230a_100015525214_100000731052 [0,1,0,0,0,0|3,0,0]=4 539 B8R0.5 CCOC(C)CC(C)C 34a_100000211805_100000210202 [0,1,0,0,0,0|2,0,0]=3 540 B8R0.5 CCOC(C)CC(C)C 34a_100121572206_100000731052 [0,1,0,0,0,0|2,0,0]=3 541 B8R0.5 CCOC(C)CC(C)C 7a_100000211805_100000210202 [0,1,0,0,0,0|2,0,0]=3 542 B8R0.5 CCSC(C)CC(C)C 62a_100000210202_100000731052 [0,1,0,0,0,0|2,1,0]=4 543 B8R0.5 CCSC(C)CC(C)C 62a_100000731052_100000210202 [0,1,0,0,0,0|2,1,0]=4 544 B8R0.5 COC[C@@H](N)CC(C)C 34a_100011830311_200000210301 [0,1,0,0,0,0|3,0,0]=4 545 B8R0.6 C=COCCN(C)CC 2230a_100000225621_100000039644 [0,1,0,0,0,0|3,0,0]=4 546 B8R0.6 C=COCCN(C)CC 269982a_100000225621_100000039644 [0,1,0,0,0,0|3,0,0]=4 547 B8R0.6 CC(CN)COCC=O 34a_100000744482_200009817547 [0,1,0,0,0,0|3,0,0]=4 548 B8R0.6 CC(CO)CCNCF 34a_106354213184_100015361967 [0,1,0,0,0,0|3,0,0]=4 549 B8R0.6 CC(CO)CNCC=O 34a_100000744482_200009817547 [0,1,0,0,0,0|3,0,0]=4 550 B8R0.6 CCC(C)CCCOC 7a_100011216074_200000210301 [0,1,0,0,0,0|3,0,0]=4 551 B8R0.6 CCC(C)CCCO[13CH3] 7a_100011216074_200025704644 [0,1,0,0,0,0|3,0,0]=4 552 B8R0.6 CCC(C)CCOCF 7a_100011215188_100015361967 [0,1,0,0,0,0|2,0,0]=3 553 B8R0.6 CCC(C)CNCC=O 2230a_100020588543_200015260668 [0,1,0,0,0,0|3,0,0]=4 554 B8R0.6 CCC(C)CSCC=O 62a_100000748023_200015260668 [0,1,0,0,0,0|3,0,0]=4 555 B8R0.6 CCC(C)CSCC=O 62a_200015260668_100000748023 [0,1,0,0,0,0|3,0,0]=4 556 B8R0.6 CCCCCC(C)NC 2230a_100000211957_200000210301 [0,1,0,0,0,0|3,0,0]=4 557 B8R0.6 CCCCCC(C)NC 2230a_106832991635_200011218191 [0,1,0,0,0,0|3,0,0]=4 558 B8R0.6 CCCCCC(C)NC 270004a_106832991635_100000211708 [0,1,0,0,0,0|3,0,0]=4 559 B8R0.6 CCCCCC(C)NC 34a_100102657272_200011218191 [0,1,0,0,0,0|3,0,0]=4 560 B8R0.6 CCCCCC(C)NC 7a_106832991635_200011218191 [0,1,0,0,0,0|3,0,0]=4 561 B8R0.6 CCCCCC(C)N[13CH3] 2230a_100000211957_200025704644 [0,1,0,0,0,0|3,0,0]=4 562 B8R0.6 CCCCCC(C)OC 34a_100011215632_200000210301 [0,1,0,0,0,0|3,0,0]=4 563 B8R0.6 CCCCCC(C)OC 34a_100138415774_200011218191 [0,1,0,0,0,0|3,0,0]=4 564 B8R0.6 CCCCCC(C)OC 7a_100011215632_200000210301 [0,1,0,0,0,0|3,0,0]=4 565 B8R0.6 CCCCCC(C)O[13CH3] 34a_100011215632_200025704644 [0,1,0,0,0,0|3,0,0]=4 566 B8R0.6 CCCCCC(C)O[13CH3] 7a_100011215632_200025704644 [0,1,0,0,0,0|3,0,0]=4 567 B8R0.6 CCCCCC(C)SC 62a_200000210301_200011218191 [0,1,0,0,0,0|3,0,0]=4 568 B8R0.6 CCCCCC(C)SC 62a_200011218191_200000210301 [0,1,0,0,0,0|3,0,0]=4 569 B8R0.6 CCCCCC(C)S[13CH3] 62a_200011218191_200025704644 [0,1,0,0,0,0|3,0,0]=4 570 B8R0.6 CCCCCC(C)S[13CH3] 62a_200025704644_200011218191 [0,1,0,0,0,0|3,0,0]=4 571 B8R0.6 CCN(C)CCCC=O 2230a_100000225621_200011292268 [0,1,0,0,0,0|3,0,0]=4 572 B8R0.6 CCN(C)CCCC=O 269982a_100000225621_200011292268 [0,1,0,0,0,0|3,0,0]=4 573 B8R0.6 CCNCCC(C)CC 2230a_100020591266_100000210202 [0,1,0,0,0,0|3,0,0]=4 574 B8R0.6 CCNCCC(C)CO 2230a_106354213184_100000210202 [0,1,0,0,0,0|3,0,0]=4 575 B8R0.6 CCNCCC(C)CO 34a_106354213184_100000210202 [0,1,0,0,0,0|3,0,0]=4 576 B8R0.6 CCOCCC(C)CC 7a_100011215188_100000210202 [0,1,0,0,0,0|2,0,0]=3 577 B8R0.6 CCOCCC(C)NC 270004a_106832991635_200011216536 [0,1,0,0,0,0|2,0,0]=3 578 B8R0.6 CCOCCC(C)OC 7a_100000764861_100000210202 [0,1,0,0,0,0|2,0,0]=3 579 B8R0.6 CCOCCN(C)CC 2230a_100000225621_100011215890 [0,1,0,0,0,0|3,0,0]=4 580 B8R0.6 CCOCCN(C)CC 269982a_100000225621_100011215890 [0,1,0,0,0,0|3,0,0]=4 581 B8R0.6 CCOCSC(C)CC 62a_100000739092_100000758301 [0,1,0,0,0,0|3,0,0]=4 582 B8R0.6 CCOCSC(C)CC 62a_100000758301_100000739092 [0,1,0,0,0,0|3,0,0]=4 583 B8R0.6 CCOCSC(C)CO 62a_100012180447_100000739092 [0,1,0,0,0,0|3,0,0]=4 584 B8R0.6 CCOCSC(C)OC 62a_100000739092_100009879195 [0,1,0,0,0,0|3,0,0]=4 585 B8R0.6 CCOCSC(C)OC 62a_100009879195_100000739092 [0,1,0,0,0,0|3,0,0]=4 586 B8R0.6 CCOCS[C@H](C)CO 62a_100000739092_100016084084 [0,1,0,0,0,0|3,0,0]=4 587 B8R0.6 CCOCS[C@H](C)CO 62a_100016084084_100000739092 [0,1,0,0,0,0|3,0,0]=4 588 B8R0.6 CC[C@H](C)COCC=O 7a_100009816381_200015260668 [0,1,0,0,0,0|3,0,0]=4 589 B8R0.6 CC[C@H](C)CSCC=O 62a_100009816398_200015260668 [0,1,0,0,0,0|3,0,0]=4 590 B8R0.6 CC[C@H](C)CSCC=O 62a_200015260668_100009816398 [0,1,0,0,0,0|3,0,0]=4 591 B8R0.6 CNC(C)CCCC#N 270004a_106832991635_200000032708 [0,1,0,0,0,0|3,0,0]=4 592 B8R0.6 CNC(C)CCCSC 270004a_106832991635_100011399439 [0,1,0,0,0,0|3,0,0]=4 593 B8R0.6 COC(C)CCOCF 7a_100000764861_100015361967 [0,1,0,0,0,0|2,0,0]=3 594 B8R0.6 COC(C)COCC=O 34a_100000690652_200009817547 [0,1,0,0,0,0|3,0,0]=4 595 B8R0.6 COCCCC(C)OC 34a_200011539412_200000210301 [0,1,0,0,0,0|3,0,0]=4 596 B8R0.6 COCCCC(C)OC 7a_200011539412_200000210301 [0,1,0,0,0,0|3,0,0]=4 597 B8R0.6 COCCCC(C)O[13CH3] 34a_200011539412_200025704644 [0,1,0,0,0,0|3,0,0]=4 598 B8R0.6 COCCCC(C)O[13CH3] 7a_200011539412_200025704644 [0,1,0,0,0,0|3,0,0]=4 599 B8R0.6 COCCC[C@@H](C)CN 34a_100160569302_200000210301 [0,1,0,0,0,0|3,0,0]=4 600 B8R0.6 CO[C@H](C)CNCC=O 2230a_100020591295_200015260668 [0,1,0,0,0,0|3,0,0]=4 601 B8R0.6 C[C@@H](CN)CCCO[13CH3] 34a_100160569302_200025704644 [0,1,0,0,0,0|3,0,0]=4 602 B8R0.6 C[C@@H](CO)CSCC=O 62a_100000059175_200015260668 [0,1,0,0,0,0|3,0,0]=4 603 B8R0.6 C[C@@H](CO)CSCC=O 62a_200015260668_100000059175 [0,1,0,0,0,0|3,0,0]=4 604 B8R0.7 C#CCCCNC(C)C 2230a_100138425928_100000731252 [0,1,0,0,0,0|3,0,0]=4 605 B8R0.7 C#CCCCNC(C)C 34a_100000718082_100000210206 [0,1,0,0,0,0|3,0,0]=4 606 B8R0.7 C#CCCCNC(C)C 34a_100138425928_100000695029 [0,1,0,0,0,0|3,0,0]=4 607 B8R0.7 C#CCCCOC(C)C 34a_100000212225_100000695029 [0,1,0,0,0,0|3,0,0]=4 608 B8R0.7 C#CCCCOC(C)C 34a_100000215630_100000210206 [0,1,0,0,0,0|3,0,0]=4 609 B8R0.7 C#CCCCOC(C)C 7a_100000215630_100000210206 [0,1,0,0,0,0|3,0,0]=4 610 B8R0.7 C#CCCCSC(C)C 62a_100000210206_100011215417 [0,1,0,0,0,0|3,0,0]=4 611 B8R0.7 C#CCCCSC(C)C 62a_100011215417_100000210206 [0,1,0,0,0,0|3,0,0]=4 612 B8R0.7 C#CCCNCC(C)C 2230a_100000210953_100000688953 [0,1,0,0,0,0|3,0,0]=4 613 B8R0.7 C#CCCNCC(C)C 34a_100000210953_100000688953 [0,1,0,0,0,0|3,0,0]=4 614 B8R0.7 C#CCCNCC(C)C 34a_100000755551_100000210624 [0,1,0,0,0,0|3,0,0]=4 615 B8R0.7 C#CCCOCC(C)C 34a_100000210257_100000688953 [0,1,0,0,0,0|3,0,0]=4 616 B8R0.7 C#CCCOCC(C)C 34a_100011215631_100000210624 [0,1,0,0,0,0|3,0,0]=4 617 B8R0.7 C#CCCSCC(C)C 62a_100000210624_100000688953 [0,1,0,0,0,0|3,0,0]=4 618 B8R0.7 C#CCCSCC(C)C 62a_100000688953_100000210760 [0,1,0,0,0,0|3,0,0]=4 619 B8R0.7 C#CCNCCC(C)C 34a_100000212058_100000210312 [0,1,0,0,0,0|3,0,0]=4 620 B8R0.7 C#CCOCCC(C)Br 34a_100009893172_100000184674 [0,1,0,0,0,0|3,0,0]=4 621 B8R0.7 C#CCOCCC(C)C 34a_100000210247_100000210312 [0,1,0,0,0,0|2,0,0]=3 622 B8R0.7 C#CCOCCC(C)C 34a_100000210254_100000184674 [0,1,0,0,0,0|2,0,0]=3 623 B8R0.7 C#CCOCCC(C)C 7a_100000210254_100000038162 [0,1,0,0,0,0|2,0,0]=3 624 B8R0.7 C#CCOCCC(C)O 34a_100000210247_100012276601 [0,1,0,0,0,0|3,0,0]=4 625 B8R0.7 C#CCOCCN(C)C 2230a_100102631434_100010402529 [0,1,0,0,0,0|3,0,0]=4 626 B8R0.7 C#CCOCC[C@@H](C)N 34a_100000706166_100000184674 [0,1,0,0,0,0|3,0,0]=4 627 B8R0.7 C#CCOCOC(C)C 34a_100000210247_100000709892 [0,1,0,0,0,0|3,0,0]=4 628 B8R0.7 C#CCSCCC(C)C 62a_100000038162_100000210312 [0,1,0,0,0,0|2,1,0]=4 629 B8R0.7 C/C=C/CCOC(C)C 34a_100016278192_100000210206 [0,1,0,0,0,0|3,0,0]=4 630 B8R0.7 C/C=C/CNCC(C)C 34a_100000210953_100102629194 [0,1,0,0,0,0|3,0,0]=4 631 B8R0.7 C/C=C/COCC(C)C 34a_100000210257_100102629194 [0,1,0,0,0,0|3,0,0]=4 632 B8R0.7 C/C=C/COCC(C)C 34a_100016270725_100000210624 [0,1,0,0,0,0|3,0,0]=4 633 B8R0.7 C/C=C/CSCC(C)C 62a_100000210624_100102629194 [0,1,0,0,0,0|3,0,0]=4 634 B8R0.7 C/C=C/CSCC(C)C 62a_100102629194_100000210760 [0,1,0,0,0,0|3,0,0]=4 635 B8R0.7 C=C(C)CCOCC=O 34a_100000764851_200009817547 [0,1,0,0,0,0|1,0,2]=4 636 B8R0.7 C=CCCCNC(C)C 2230a_100000700776_100000210206 [0,1,0,0,0,0|3,0,0]=4 637 B8R0.7 C=CCCCNC(C)C 2230a_100138425928_100011713584 [0,1,0,0,0,0|3,0,0]=4 638 B8R0.7 C=CCCCNC(C)C 34a_100000700776_100000210206 [0,1,0,0,0,0|3,0,0]=4 639 B8R0.7 C=CCCCNC(C)C 34a_100138425928_100000757094 [0,1,0,0,0,0|3,0,0]=4 640 B8R0.7 C=CCCCOC(C)C 34a_100000212225_100000757094 [0,1,0,0,0,0|3,0,0]=4 641 B8R0.7 C=CCCCOC(C)C 34a_100000758997_100000210206 [0,1,0,0,0,0|3,0,0]=4 642 B8R0.7 C=CCCCOC(C)C 7a_100000758997_100000210206 [0,1,0,0,0,0|3,0,0]=4 643 B8R0.7 C=CCCCSC(C)C 62a_100000210206_100000757094 [0,1,0,0,0,0|3,0,0]=4 644 B8R0.7 C=CCCCSC(C)C 62a_100011713584_100000210206 [0,1,0,0,0,0|3,0,0]=4 645 B8R0.7 C=CCCNCC(C)C 2230a_100000210953_100000754431 [0,1,0,0,0,0|3,0,0]=4 646 B8R0.7 C=CCCNCC(C)C 2230a_100015191253_100000210760 [0,1,0,0,0,0|3,0,0]=4 647 B8R0.7 C=CCCNCC(C)C 270004a_100015191253_100000210432 [0,1,0,0,0,0|3,0,0]=4 648 B8R0.7 C=CCCNCC(C)C 34a_100000210953_100000754431 [0,1,0,0,0,0|3,0,0]=4 649 B8R0.7 C=CCCOCC(C)C 34a_100000210257_100000754431 [0,1,0,0,0,0|3,0,0]=4 650 B8R0.7 C=CCCOCC(C)C 34a_100011205117_100000210624 [0,1,0,0,0,0|3,0,0]=4 651 B8R0.7 C=CCCSCC(C)C 62a_100000210624_100000754431 [0,1,0,0,0,0|3,0,0]=4 652 B8R0.7 C=CCCSCC(C)C 62a_100000754431_100000210760 [0,1,0,0,0,0|3,0,0]=4 653 B8R0.7 C=CCNCCC(C)C 2230a_100020586998_100000210312 [0,1,0,0,0,0|3,0,0]=4 654 B8R0.7 C=CCOCCC(C)Br 34a_100009893172_100015514636 [0,1,0,0,0,0|3,0,0]=4 655 B8R0.7 C=CCOCCC(C)C 34a_100000210254_100015514636 [0,1,0,0,0,0|2,0,0]=3 656 B8R0.7 C=CCOCCC(C)C 34a_200000210373_100000210312 [0,1,0,0,0,0|2,0,0]=3 657 B8R0.7 C=CCOCCC(C)C 7a_100000210254_100015514636 [0,1,0,0,0,0|2,0,0]=3 658 B8R0.7 C=CCOCCC(C)O 34a_200000210373_100012276601 [0,1,0,0,0,0|3,0,0]=4 659 B8R0.7 C=CCOCC[C@@H](C)N 34a_100000706166_100015514636 [0,1,0,0,0,0|3,0,0]=4 660 B8R0.7 C=CCOCOC(C)C 34a_200000210373_100000709892 [0,1,0,0,0,0|3,0,0]=4 661 B8R0.7 C=CCSCCC(C)C 62a_100000210312_100000210623 [0,1,0,0,0,0|2,1,0]=4 662 B8R0.7 C=CCSCCC(C)C 62a_100000210623_100000210312 [0,1,0,0,0,0|2,1,0]=4 663 B8R0.7 C=COCCNC(C)C 2230a_100138425928_100000039644 [0,1,0,0,0,0|2,0,0]=3 664 B8R0.7 C=COCCNC(C)C 34a_100138425928_100000039644 [0,1,0,0,0,0|2,0,0]=3 665 B8R0.7 C=COCCOC(C)C 34a_100000033082_100000210206 [0,1,0,0,0,0|2,0,0]=3 666 B8R0.7 C=COCCOC(C)C 34a_100000212225_100000039644 [0,1,0,0,0,0|2,0,0]=3 667 B8R0.7 C=COCCSC(C)C 62a_100000039644_100000210206 [0,1,0,0,0,0|2,0,0]=3 668 B8R0.7 C=COCCSC(C)C 62a_100000210206_100000039644 [0,1,0,0,0,0|2,0,0]=3 669 B8R0.7 CC#CCCOC(C)C 34a_100000750427_100000210206 [0,1,0,0,0,0|3,0,0]=4 670 B8R0.7 CC#CCNCC(C)C 2230a_100000210953_100000748600 [0,1,0,0,0,0|3,0,0]=4 671 B8R0.7 CC#CCNCC(C)C 2230a_100000685387_100000210760 [0,1,0,0,0,0|3,0,0]=4 672 B8R0.7 CC#CCNCC(C)C 34a_100000210953_100000748600 [0,1,0,0,0,0|3,0,0]=4 673 B8R0.7 CC#CCNCC(C)C 34a_100000685387_100000210624 [0,1,0,0,0,0|3,0,0]=4 674 B8R0.7 CC#CCOCC(C)C 34a_100000210257_100000748600 [0,1,0,0,0,0|3,0,0]=4 675 B8R0.7 CC#CCOCC(C)C 34a_100000761923_100000210624 [0,1,0,0,0,0|3,0,0]=4 676 B8R0.7 CC#CCSCC(C)C 62a_100000210624_100000748600 [0,1,0,0,0,0|3,0,0]=4 677 B8R0.7 CC#CCSCC(C)C 62a_100000748600_100000210760 [0,1,0,0,0,0|3,0,0]=4 678 B8R0.7 CC(=CCOCC=O)C 34a_100000753907_200009817547 [0,1,0,0,0,0|1,0,2]=4 679 B8R0.7 CC(=O)CCOCC=O 34a_100000759926_200009817547 [0,1,0,0,0,0|2,0,1]=4 680 B8R0.7 CC(=O)CCOCC=O 7a_100000759926_200015260668 [0,1,0,0,0,0|2,0,1]=4 681 B8R0.7 CC(Br)CCOCC=O 34a_100009893172_200009817547 [0,1,0,0,0,0|2,0,0]=3 682 B8R0.7 CC(Br)CCOCCF 34a_100009893172_100011217306 [0,1,0,0,0,0|3,0,0]=4 683 B8R0.7 CC(Br)CCOCCO 34a_100009893172_100000211926 [0,1,0,0,0,0|2,0,1]=4 684 B8R0.7 CC(C)CCCCO[13CH3] 34a_100011214890_200025704644 [0,1,0,0,0,0|2,0,1]=4 685 B8R0.7 CC(C)CCCCO[13CH3] 7a_100011214890_200025704644 [0,1,0,0,0,0|2,0,1]=4 686 B8R0.7 CC(C)CCCCS[13CH3] 62a_100011216152_200025704644 [0,1,0,0,0,0|2,1,0]=4 687 B8R0.7 CC(C)CCCCS[13CH3] 62a_200025704644_100011216152 [0,1,0,0,0,0|2,1,0]=4 688 B8R0.7 CC(C)CCCNCF 34a_200000737386_100015361967 [0,1,0,0,0,0|2,0,1]=4 689 B8R0.7 CC(C)CCCOCF 34a_100000210774_100015361967 [0,1,0,0,0,0|2,0,0]=3 690 B8R0.7 CC(C)CCCOCF 7a_100000210774_100015361967 [0,1,0,0,0,0|2,0,0]=3 691 B8R0.7 CC(C)CCCSCF 62a_100011214892_100015361967 [0,1,0,0,0,0|2,1,0]=4 692 B8R0.7 CC(C)CCCSCF 62a_100015361967_100011214892 [0,1,0,0,0,0|2,1,0]=4 693 B8R0.7 CC(C)CCNCCF 269862a_100000724931_100000185833 [0,1,0,0,0,0|3,0,0]=4 694 B8R0.7 CC(C)CCNCCF 34a_100000724931_100000210312 [0,1,0,0,0,0|3,0,0]=4 695 B8R0.7 CC(C)CCNCCO 2230a_100016997473_100000210312 [0,1,0,0,0,0|2,0,1]=4 696 B8R0.7 CC(C)CCNCCO 269862a_100000210304_100000185833 [0,1,0,0,0,0|2,0,1]=4 697 B8R0.7 CC(C)CCNCCO 34a_100016990907_100000210312 [0,1,0,0,0,0|2,0,1]=4 698 B8R0.7 CC(C)CCOCC#N 7a_100000210254_100011215382 [0,1,0,0,0,0|2,0,0]=3 699 B8R0.7 CC(C)CCOCC=O 34a_100000210254_200009817547 [0,1,0,0,0,0|1,0,0]=2 700 B8R0.7 CC(C)CCOCC=O 7a_100000210254_200015260668 [0,1,0,0,0,0|1,0,0]=2 701 B8R0.7 CC(C)CCOCCBr 34a_100000211926_100000210312 [0,1,0,0,0,0|2,0,0]=3 702 B8R0.7 CC(C)CCOCCF 34a_100000210254_100011217306 [0,1,0,0,0,0|2,0,0]=3 703 B8R0.7 CC(C)CCOCCF 7a_100000210254_100011217306 [0,1,0,0,0,0|2,0,0]=3 704 B8R0.7 CC(C)CCOCCN 34a_100000210304_100000210312 [0,1,0,0,0,0|2,0,0]=3 705 B8R0.7 CC(C)CCOCCO 34a_100000210254_100000211926 [0,1,0,0,0,0|1,0,1]=3 706 B8R0.7 CC(C)CCOCCO 7a_100000210254_100000211926 [0,1,0,0,0,0|1,0,1]=3 707 B8R0.7 CC(C)CCSCC#N 62a_100000210312_100011215382 [0,1,0,0,0,0|2,1,0]=4 708 B8R0.7 CC(C)CCSCC#N 62a_100011215382_100000210312 [0,1,0,0,0,0|2,1,0]=4 709 B8R0.7 CC(C)CCSCC=O 62a_100000210312_200015260668 [0,1,0,0,0,0|1,1,0]=3 710 B8R0.7 CC(C)CCSCC=O 62a_200015260668_100000210312 [0,1,0,0,0,0|1,1,0]=3 711 B8R0.7 CC(C)CCSCCF 62a_100000210312_100011217306 [0,1,0,0,0,0|2,1,0]=4 712 B8R0.7 CC(C)CCSCCF 62a_100011217306_100000210312 [0,1,0,0,0,0|2,1,0]=4 713 B8R0.7 CC(C)CCSCCO 62a_100000210312_100000211926 [0,1,0,0,0,0|1,1,1]=4 714 B8R0.7 CC(C)CCSCCO 62a_100000211926_100000210312 [0,1,0,0,0,0|1,1,1]=4 715 B8R0.7 CC(C)CNCCC#N 2230a_100000210953_100011215226 [0,1,0,0,0,0|3,0,0]=4 716 B8R0.7 CC(C)CNCCC#N 270004a_100000720768_100000210432 [0,1,0,0,0,0|3,0,0]=4 717 B8R0.7 CC(C)CNCCCF 2230a_100000210953_100011934791 [0,1,0,0,0,0|3,0,0]=4 718 B8R0.7 CC(C)CNCCCF 2230a_100015189416_100000210760 [0,1,0,0,0,0|3,0,0]=4 719 B8R0.7 CC(C)CNCCCF 270004a_100015189416_100000210432 [0,1,0,0,0,0|3,0,0]=4 720 B8R0.7 CC(C)CNCCCF 34a_100000210953_100011934791 [0,1,0,0,0,0|3,0,0]=4 721 B8R0.7 CC(C)CNCCCF 34a_100015189416_100000210624 [0,1,0,0,0,0|3,0,0]=4 722 B8R0.7 CC(C)CNCCCO 2230a_100000210953_100000230001 [0,1,0,0,0,0|2,0,1]=4 723 B8R0.7 CC(C)CNCCCO 270004a_100000182051_100000210432 [0,1,0,0,0,0|2,0,1]=4 724 B8R0.7 CC(C)CNCCCO 34a_100000210953_100000230001 [0,1,0,0,0,0|2,0,1]=4 725 B8R0.7 CC(C)CNCCO[13CH3] 34a_100015185251_200025704644 [0,1,0,0,0,0|3,0,0]=4 726 B8R0.7 CC(C)COCCCBr 34a_100011217188_100000210624 [0,1,0,0,0,0|3,0,0]=4 727 B8R0.7 CC(C)COCCCCl 34a_100000230001_100000210624 [0,1,0,0,0,0|3,0,0]=4 728 B8R0.7 CC(C)COCCCF 34a_100000210257_100011934791 [0,1,0,0,0,0|3,0,0]=4 729 B8R0.7 CC(C)COCCCF 34a_100000759539_100000210624 [0,1,0,0,0,0|3,0,0]=4 730 B8R0.7 CC(C)COCCCN 34a_100000182051_100000210624 [0,1,0,0,0,0|3,0,0]=4 731 B8R0.7 CC(C)COCCCO 34a_100000210257_100000230001 [0,1,0,0,0,0|2,0,1]=4 732 B8R0.7 CC(C)COCCON 34a_100000700252_100000210624 [0,1,0,0,0,0|3,0,0]=4 733 B8R0.7 CC(C)COCCO[13CH3] 34a_100000703358_200025704644 [0,1,0,0,0,0|3,0,0]=4 734 B8R0.7 CC(C)COCCO[13CH3] 7a_100000703358_200025704644 [0,1,0,0,0,0|3,0,0]=4 735 B8R0.7 CC(C)CSCCC#N 62a_100000210624_100011215226 [0,1,0,0,0,0|3,0,0]=4 736 B8R0.7 CC(C)CSCCC#N 62a_100011215226_100000210760 [0,1,0,0,0,0|3,0,0]=4 737 B8R0.7 CC(C)CSCCCF 62a_100000210624_100011934791 [0,1,0,0,0,0|3,0,0]=4 738 B8R0.7 CC(C)CSCCCF 62a_100011934791_100000210760 [0,1,0,0,0,0|3,0,0]=4 739 B8R0.7 CC(C)CSCCCO 62a_100000210624_100011215043 [0,1,0,0,0,0|2,0,1]=4 740 B8R0.7 CC(C)CSCCCO 62a_100011215043_100000210760 [0,1,0,0,0,0|2,0,1]=4 741 B8R0.7 CC(C)CSCCO[13CH3] 34a_200000230437_200025704644 [0,1,0,0,0,0|3,0,0]=4 742 B8R0.7 CC(C)CSCCO[13CH3] 7a_200000230437_200025704644 [0,1,0,0,0,0|3,0,0]=4 743 B8R0.7 CC(C)CSCSC#N 62a_100000210624_100000211825 [0,1,0,0,0,0|2,1,0]=4 744 B8R0.7 CC(C)CSCSC#N 62a_100000211825_100000210760 [0,1,0,0,0,0|2,1,0]=4 745 B8R0.7 CC(C)NCCCC#N 2230a_100138425928_100000687738 [0,1,0,0,0,0|3,0,0]=4 746 B8R0.7 CC(C)NCCCC=O 2230a_100138425928_200011292268 [0,1,0,0,0,0|2,0,0]=3 747 B8R0.7 CC(C)NCCCCF 2230a_100138425928_100000729493 [0,1,0,0,0,0|3,0,0]=4 748 B8R0.7 CC(C)NCCCCF 34a_100138425928_100000729493 [0,1,0,0,0,0|3,0,0]=4 749 B8R0.7 CC(C)NCCCCO 2230a_100000750430_100000210206 [0,1,0,0,0,0|2,0,1]=4 750 B8R0.7 CC(C)NCCCCO 2230a_100138425928_100000210776 [0,1,0,0,0,0|2,0,1]=4 751 B8R0.7 CC(C)NCCCCO 34a_100000750430_100000210206 [0,1,0,0,0,0|2,0,1]=4 752 B8R0.7 CC(C)NCCCCO 34a_100138425928_100011216708 [0,1,0,0,0,0|2,0,1]=4 753 B8R0.7 CC(C)NCCCO[13CH3] 34a_100000182298_200025704644 [0,1,0,0,0,0|3,0,0]=4 754 B8R0.7 CC(C)NCCOCF 34a_100000224655_100015361967 [0,1,0,0,0,0|2,0,0]=3 755 B8R0.7 CC(C)OCCCCBr 34a_100011216708_100000210206 [0,1,0,0,0,0|3,0,0]=4 756 B8R0.7 CC(C)OCCCCCl 34a_100000210776_100000210206 [0,1,0,0,0,0|3,0,0]=4 757 B8R0.7 CC(C)OCCCCCl 7a_100000210776_100000210206 [0,1,0,0,0,0|3,0,0]=4 758 B8R0.7 CC(C)OCCCCF 34a_100000212225_100000729493 [0,1,0,0,0,0|3,0,0]=4 759 B8R0.7 CC(C)OCCCCF 34a_100011995726_100000210206 [0,1,0,0,0,0|3,0,0]=4 760 B8R0.7 CC(C)OCCCCF 7a_100011995726_100000210206 [0,1,0,0,0,0|3,0,0]=4 761 B8R0.7 CC(C)OCCCCI 34a_200012148704_100000210206 [0,1,0,0,0,0|3,0,0]=4 762 B8R0.7 CC(C)OCCCCN 34a_100000750430_100000210206 [0,1,0,0,0,0|3,0,0]=4 763 B8R0.7 CC(C)OCCCCO 34a_100000212225_100011216708 [0,1,0,0,0,0|2,0,1]=4 764 B8R0.7 CC(C)OCCCN[13CH3] 2230a_100000737246_200025704644 [0,1,0,0,0,0|2,0,1]=4 765 B8R0.7 CC(C)OCCCN[13CH3] 34a_100000737246_200025704644 [0,1,0,0,0,0|2,0,1]=4 766 B8R0.7 CC(C)OCCNCF 34a_100000701111_100015361967 [0,1,0,0,0,0|3,0,0]=4 767 B8R0.7 CC(C)OCCOCF 34a_100000211219_100015361967 [0,1,0,0,0,0|2,0,0]=3 768 B8R0.7 CC(C)OCCOCF 7a_100000211219_100015361967 [0,1,0,0,0,0|2,0,0]=3 769 B8R0.7 CC(C)OCCSCF 62a_100000211751_100015361967 [0,1,0,0,0,0|2,1,0]=4 770 B8R0.7 CC(C)OCCSCF 62a_100015361967_100000211751 [0,1,0,0,0,0|2,1,0]=4 771 B8R0.7 CC(C)OCOCCBr 34a_100000211926_100000709892 [0,1,0,0,0,0|3,0,0]=4 772 B8R0.7 CC(C)OCOCCN 34a_100000210304_100000709892 [0,1,0,0,0,0|3,0,0]=4 773 B8R0.7 CC(C)OCSCC=O 62a_100000709892_200015260668 [0,1,0,0,0,0|2,1,0]=4 774 B8R0.7 CC(C)OCSCC=O 62a_200015260668_100000709892 [0,1,0,0,0,0|2,1,0]=4 775 B8R0.7 CC(C)SCCCC#N 62a_100000210206_100000687738 [0,1,0,0,0,0|3,0,0]=4 776 B8R0.7 CC(C)SCCCC#N 62a_100000687738_100000210206 [0,1,0,0,0,0|3,0,0]=4 777 B8R0.7 CC(C)SCCCC=O 62a_100000210206_200011292268 [0,1,0,0,0,0|2,0,0]=3 778 B8R0.7 CC(C)SCCCC=O 62a_200011292268_100000210206 [0,1,0,0,0,0|2,0,0]=3 779 B8R0.7 CC(C)SCCCCF 62a_100000210206_100000729493 [0,1,0,0,0,0|3,0,0]=4 780 B8R0.7 CC(C)SCCCCF 62a_100000729493_100000210206 [0,1,0,0,0,0|3,0,0]=4 781 B8R0.7 CC(C)SCCCCO 62a_100000210206_100000210776 [0,1,0,0,0,0|2,0,1]=4 782 B8R0.7 CC(C)SCCCCO 62a_100000210776_100000210206 [0,1,0,0,0,0|2,0,1]=4 783 B8R0.7 CC(C)SCCNCF 34a_100000731138_100015361967 [0,1,0,0,0,0|3,0,0]=4 784 B8R0.7 CC(C)SCCOCF 34a_200011212901_100015361967 [0,1,0,0,0,0|2,0,0]=3 785 B8R0.7 CC(C)SCCOCF 7a_200011212901_100015361967 [0,1,0,0,0,0|2,0,0]=3 786 B8R0.7 CC(C)SCCSC#N 62a_100000034367_100000210206 [0,1,0,0,0,0|2,1,0]=4 787 B8R0.7 CC(C)SCCSC#N 62a_100000210206_100000034367 [0,1,0,0,0,0|2,1,0]=4 788 B8R0.7 CC(C)SCCSCF 62a_100000730970_100015361967 [0,1,0,0,0,0|2,1,0]=4 789 B8R0.7 CC(C)SCCSCF 62a_100015361967_100000730970 [0,1,0,0,0,0|2,1,0]=4 790 B8R0.7 CC(O)CCNCC=O 2230a_200000755665_200015260668 [0,1,0,0,0,0|3,0,0]=4 791 B8R0.7 CC(O)CCOCCBr 34a_100000211926_100012276601 [0,1,0,0,0,0|3,0,0]=4 792 B8R0.7 CC(O)CCOCCN 34a_100000210304_100012276601 [0,1,0,0,0,0|3,0,0]=4 793 B8R0.7 CC(O)CCSCC=O 62a_100012276601_200015260668 [0,1,0,0,0,0|2,1,0]=4 794 B8R0.7 CC(O)CCSCC=O 62a_200015260668_100012276601 [0,1,0,0,0,0|2,1,0]=4 795 B8R0.7 CC=CCNCC(C)C 2230a_100000210953_100000070051 [0,1,0,0,0,0|3,0,0]=4 796 B8R0.7 CC=CCNCC(C)C 34a_100000210953_100000070051 [0,1,0,0,0,0|3,0,0]=4 797 B8R0.7 CC=CCOCC(C)C 34a_100000210257_100000070051 [0,1,0,0,0,0|3,0,0]=4 798 B8R0.7 CC=CCSCC(C)C 62a_100000070051_100000210760 [0,1,0,0,0,0|3,0,0]=4 799 B8R0.7 CC=CCSCC(C)C 62a_100000210624_100000070051 [0,1,0,0,0,0|3,0,0]=4 800 B8R0.7 CCCCCNC(C)C 2230a_100000209983_100000210206 [0,1,0,0,0,0|3,0,0]=4 801 B8R0.7 CCCCCNC(C)C 2230a_100138425928_100000210326 [0,1,0,0,0,0|3,0,0]=4 802 B8R0.7 CCCCCNC(C)C 34a_100138425928_100000718602 [0,1,0,0,0,0|3,0,0]=4 803 B8R0.7 CCCCCOC(C)C 34a_100000210253_100000210206 [0,1,0,0,0,0|3,0,0]=4 804 B8R0.7 CCCCCOC(C)C 34a_100000212225_100000718602 [0,1,0,0,0,0|3,0,0]=4 805 B8R0.7 CCCCCOC(C)C 7a_100000210253_100000210206 [0,1,0,0,0,0|3,0,0]=4 806 B8R0.7 CCCCCSC(C)C 62a_100000210206_100000210326 [0,1,0,0,0,0|3,0,0]=4 807 B8R0.7 CCCCCSC(C)C 62a_100000210326_100000210206 [0,1,0,0,0,0|3,0,0]=4 808 B8R0.7 CCCCNCC(C)C 2230a_100000102301_100000210760 [0,1,0,0,0,0|3,0,0]=4 809 B8R0.7 CCCCNCC(C)C 2230a_100000210953_100000210211 [0,1,0,0,0,0|3,0,0]=4 810 B8R0.7 CCCCNCC(C)C 270004a_100000102301_100000210432 [0,1,0,0,0,0|3,0,0]=4 811 B8R0.7 CCCCNCC(C)C 34a_100000210953_100000210210 [0,1,0,0,0,0|3,0,0]=4 812 B8R0.7 CCCCNCC(C)C 7a_106832991798_100000210760 [0,1,0,0,0,0|3,0,0]=4 813 B8R0.7 CCCCOCC(C)C 34a_100000210227_100000210624 [0,1,0,0,0,0|3,0,0]=4 814 B8R0.7 CCCCOCC(C)C 34a_100000210257_100000210210 [0,1,0,0,0,0|3,0,0]=4 815 B8R0.7 CCCCOCC(C)C 7a_100000210227_100000210760 [0,1,0,0,0,0|3,0,0]=4 816 B8R0.7 CCCCSCC(C)C 62a_100000210211_100000210760 [0,1,0,0,0,0|3,0,0]=4 817 B8R0.7 CCCCSCC(C)C 62a_100000210624_100000210210 [0,1,0,0,0,0|3,0,0]=4 818 B8R0.7 CCCNCCC(C)C 269862a_100020643023_100000185833 [0,1,0,0,0,0|3,0,0]=4 819 B8R0.7 CCCOCCC(C)Br 34a_100009893172_100000210303 [0,1,0,0,0,0|3,0,0]=4 820 B8R0.7 CCCOCCC(C)C 34a_100000210254_100000210303 [0,1,0,0,0,0|2,0,0]=3 821 B8R0.7 CCCOCCC(C)C 34a_100000210258_100000210312 [0,1,0,0,0,0|2,0,0]=3 822 B8R0.7 CCCOCCC(C)C 7a_100000210254_100000210303 [0,1,0,0,0,0|2,0,0]=3 823 B8R0.7 CCCOCCC(C)O 34a_100000210258_100012276601 [0,1,0,0,0,0|3,0,0]=4 824 B8R0.7 CCCOCCN(C)C 2230a_100102631434_100011215938 [0,1,0,0,0,0|3,0,0]=4 825 B8R0.7 CCCOCCN(C)C 269982a_100102631434_100011215938 [0,1,0,0,0,0|3,0,0]=4 826 B8R0.7 CCCOCC[C@@H](C)N 34a_100000706166_100000210303 [0,1,0,0,0,0|3,0,0]=4 827 B8R0.7 CCCOCOC(C)C 34a_100000210258_100000709892 [0,1,0,0,0,0|3,0,0]=4 828 B8R0.7 CCCSCCC(C)C 62a_100000210303_100000210312 [0,1,0,0,0,0|2,1,0]=4 829 B8R0.7 CCCSCCC(C)C 62a_100000210312_100000210303 [0,1,0,0,0,0|2,1,0]=4 830 B8R0.7 CCNCCCC(C)C 2230a_100015525214_100011214892 [0,1,0,0,0,0|2,0,1]=4 831 B8R0.7 CCNCCCC(C)C 2230a_200000737386_100000210202 [0,1,0,0,0,0|2,0,1]=4 832 B8R0.7 CCNCCCC(C)C 34a_200000737386_100000210202 [0,1,0,0,0,0|2,0,1]=4 833 B8R0.7 CCNCCOC(C)C 2230a_100000701111_100000210202 [0,1,0,0,0,0|3,0,0]=4 834 B8R0.7 CCNCCOC(C)C 2230a_100015525214_100000211751 [0,1,0,0,0,0|3,0,0]=4 835 B8R0.7 CCNCCOC(C)C 34a_100000701111_100000210202 [0,1,0,0,0,0|3,0,0]=4 836 B8R0.7 CCNCCSC(C)C 2230a_100000731138_100000210202 [0,1,0,0,0,0|3,0,0]=4 837 B8R0.7 CCNCCSC(C)C 2230a_100015525214_100000730970 [0,1,0,0,0,0|3,0,0]=4 838 B8R0.7 CCNCCSC(C)C 34a_100000731138_100000210202 [0,1,0,0,0,0|3,0,0]=4 839 B8R0.7 CCOCCC=C(C)C 34a_100121572206_100011217483 [0,1,0,0,0,0|2,0,1]=4 840 B8R0.7 CCOCCCC(C)C 34a_100000210774_100000210202 [0,1,0,0,0,0|2,0,0]=3 841 B8R0.7 CCOCCCC(C)C 34a_100121572206_100011214892 [0,1,0,0,0,0|2,0,0]=3 842 B8R0.7 CCOCCCC(C)C 7a_100000210774_100000210202 [0,1,0,0,0,0|2,0,0]=3 843 B8R0.7 CCOCCCC(C)O 34a_100121572206_200000718107 [0,1,0,0,0,0|3,0,0]=4 844 B8R0.7 CCOCCCN(C)C 2230a_100102631434_100012232248 [0,1,0,0,0,0|3,0,0]=4 845 B8R0.7 CCOCCCN(C)C 269982a_100102631434_100012232248 [0,1,0,0,0,0|3,0,0]=4 846 B8R0.7 CCOCCNC(C)C 2230a_100138425928_100011215890 [0,1,0,0,0,0|2,0,0]=3 847 B8R0.7 CCOCCNC(C)C 2230a_102516460346_100000210206 [0,1,0,0,0,0|2,0,0]=3 848 B8R0.7 CCOCCNC(C)C 34a_100000224655_100000210202 [0,1,0,0,0,0|2,0,0]=3 849 B8R0.7 CCOCCNC(C)C 34a_100138425928_100000210147 [0,1,0,0,0,0|2,0,0]=3 850 B8R0.7 CCOCCNC(C)C 34a_102516460346_100000210206 [0,1,0,0,0,0|2,0,0]=3 851 B8R0.7 CCOCCOC(C)C 34a_100000210136_100000210206 [0,1,0,0,0,0|2,0,0]=3 852 B8R0.7 CCOCCOC(C)C 34a_100000211219_100000210202 [0,1,0,0,0,0|2,0,0]=3 853 B8R0.7 CCOCCOC(C)C 34a_100000212225_100000210147 [0,1,0,0,0,0|2,0,0]=3 854 B8R0.7 CCOCCOC(C)C 34a_100121572206_100000211751 [0,1,0,0,0,0|2,0,0]=3 855 B8R0.7 CCOCCOC(C)C 7a_100000210136_100000210206 [0,1,0,0,0,0|2,0,0]=3 856 B8R0.7 CCOCCOC(C)C 7a_100000211219_100000210202 [0,1,0,0,0,0|2,0,0]=3 857 B8R0.7 CCOCCSC(C)C 34a_100121572206_100000730970 [0,1,0,0,0,0|2,0,0]=3 858 B8R0.7 CCOCCSC(C)C 34a_200011212901_100000210202 [0,1,0,0,0,0|2,0,0]=3 859 B8R0.7 CCOCCSC(C)C 62a_100000210147_100000210206 [0,1,0,0,0,0|2,0,0]=3 860 B8R0.7 CCOCCSC(C)C 62a_100000210206_100011215890 [0,1,0,0,0,0|2,0,0]=3 861 B8R0.7 CCOCCSC(C)C 7a_200011212901_100000210202 [0,1,0,0,0,0|2,0,0]=3 862 B8R0.7 CCOCSCC(C)C 62a_100000210624_100000739092 [0,1,0,0,0,0|2,0,0]=3 863 B8R0.7 CCOCSCC(C)C 62a_100000739092_100000210760 [0,1,0,0,0,0|2,0,0]=3 864 B8R0.7 CCOCSCC(C)O 62a_100000739092_100011218427 [0,1,0,0,0,0|3,0,0]=4 865 B8R0.7 CCOCSCC(C)O 62a_100011218427_100000739092 [0,1,0,0,0,0|3,0,0]=4 866 B8R0.7 CCOCSC[C@@H](C)O 62a_100000739092_100009817552 [0,1,0,0,0,0|3,0,0]=4 867 B8R0.7 CCOCSC[C@@H](C)O 62a_100009817552_100000739092 [0,1,0,0,0,0|3,0,0]=4 868 B8R0.7 CCSCCCC(C)C 62a_100000210202_100011214892 [0,1,0,0,0,0|2,1,0]=4 869 B8R0.7 CCSCCCC(C)C 62a_100011214892_100000210202 [0,1,0,0,0,0|2,1,0]=4 870 B8R0.7 CCSCCNC(C)C 2230a_100000106463_100000210206 [0,1,0,0,0,0|2,1,0]=4 871 B8R0.7 CCSCCNC(C)C 2230a_100138425928_100000757381 [0,1,0,0,0,0|2,1,0]=4 872 B8R0.7 CCSCCNC(C)C 34a_100138425928_100000757381 [0,1,0,0,0,0|2,1,0]=4 873 B8R0.7 CCSCCOC(C)C 34a_100000212035_100000210206 [0,1,0,0,0,0|2,1,0]=4 874 B8R0.7 CCSCCOC(C)C 34a_100000212225_100000757381 [0,1,0,0,0,0|2,1,0]=4 875 B8R0.7 CCSCCOC(C)C 62a_100000210202_100000211751 [0,1,0,0,0,0|2,1,0]=4 876 B8R0.7 CCSCCOC(C)C 62a_100000211751_100000210202 [0,1,0,0,0,0|2,1,0]=4 877 B8R0.7 CCSCCOC(C)C 7a_100000212035_100000210206 [0,1,0,0,0,0|2,1,0]=4 878 B8R0.7 CCSCCSC(C)C 62a_100000210202_100000730970 [0,1,0,0,0,0|2,1,0]=4 879 B8R0.7 CCSCCSC(C)C 62a_100000210206_100000757381 [0,1,0,0,0,0|2,1,0]=4 880 B8R0.7 CCSCCSC(C)C 62a_100000730970_100000210202 [0,1,0,0,0,0|2,1,0]=4 881 B8R0.7 CCSCCSC(C)C 62a_100000757381_100000210206 [0,1,0,0,0,0|2,1,0]=4 882 B8R0.7 CN(C)CCCCC=O 2230a_100102631434_100000139335 [0,1,0,0,0,0|3,0,0]=4 883 B8R0.7 CN(C)CCCCC=O 269982a_100102631434_100000139335 [0,1,0,0,0,0|3,0,0]=4 884 B8R0.7 CN(C)CCOCC#N 2230a_100102631434_200000047693 [0,1,0,0,0,0|3,0,0]=4 885 B8R0.7 CN(C)CCOCCO 2230a_100000228057_200000210301 [0,1,0,0,0,0|2,0,1]=4 886 B8R0.7 CN(C)CCOCCO 2230a_100102631434_100011215305 [0,1,0,0,0,0|2,0,1]=4 887 B8R0.7 CN(C)CCOCCO 269982a_100000228057_200000210301 [0,1,0,0,0,0|2,0,1]=4 888 B8R0.7 CN(C)CCOCCO 269982a_100102631434_100011215305 [0,1,0,0,0,0|2,0,1]=4 889 B8R0.7 CN(C)CCSCC=O 62a_200015260668_100000755713 [0,1,0,0,0,0|2,1,0]=4 890 B8R0.7 CN([13CH3])CCOCCO 2230a_100000228057_200025704644 [0,1,0,0,0,0|2,0,1]=4 891 B8R0.7 CN([13CH3])CCOCCO 269982a_100000228057_200025704644 [0,1,0,0,0,0|2,0,1]=4 892 B8R0.7 CNCCCCC(C)C 2230a_106832991635_100011216152 [0,1,0,0,0,0|2,0,1]=4 893 B8R0.7 CNCCCCC(C)C 34a_100102657272_100011216152 [0,1,0,0,0,0|2,0,1]=4 894 B8R0.7 CNCCCCC(C)C 7a_106832991635_100011216152 [0,1,0,0,0,0|2,0,1]=4 895 B8R0.7 CNCCCOC(C)C 2230a_100000737246_200000210301 [0,1,0,0,0,0|2,0,1]=4 896 B8R0.7 CNCCCOC(C)C 34a_100000213112_100000210206 [0,1,0,0,0,0|2,0,1]=4 897 B8R0.7 CNCCCOC(C)C 34a_100000737246_200000210301 [0,1,0,0,0,0|2,0,1]=4 898 B8R0.7 COCCCCC(C)C 34a_100011214890_200000210301 [0,1,0,0,0,0|2,0,1]=4 899 B8R0.7 COCCCCC(C)C 34a_100138415774_100011216152 [0,1,0,0,0,0|2,0,1]=4 900 B8R0.7 COCCCCC(C)C 7a_100011214890_200000210301 [0,1,0,0,0,0|2,0,1]=4 901 B8R0.7 COCCCNC(C)C 2230a_100138425928_100000740836 [0,1,0,0,0,0|3,0,0]=4 902 B8R0.7 COCCCNC(C)C 34a_100000182298_200000210301 [0,1,0,0,0,0|3,0,0]=4 903 B8R0.7 COCCCNC(C)C 34a_100138425928_100000740836 [0,1,0,0,0,0|3,0,0]=4 904 B8R0.7 COCCCNC(C)C 34a_100150723488_100000210206 [0,1,0,0,0,0|3,0,0]=4 905 B8R0.7 COCCCOC(C)C 34a_100000212225_100000740836 [0,1,0,0,0,0|3,0,0]=4 906 B8R0.7 COCCCOC(C)C 34a_100000740835_100000210206 [0,1,0,0,0,0|3,0,0]=4 907 B8R0.7 COCCCSC(C)C 62a_100000210206_100000709357 [0,1,0,0,0,0|3,0,0]=4 908 B8R0.7 COCCCSC(C)C 62a_100000709357_100000210206 [0,1,0,0,0,0|3,0,0]=4 909 B8R0.7 COCCNCC(C)C 2230a_100000209980_100000210760 [0,1,0,0,0,0|3,0,0]=4 910 B8R0.7 COCCNCC(C)C 2230a_100000210953_100011201679 [0,1,0,0,0,0|3,0,0]=4 911 B8R0.7 COCCNCC(C)C 270004a_100000209980_100000210432 [0,1,0,0,0,0|3,0,0]=4 912 B8R0.7 COCCNCC(C)C 34a_100000210953_100011201679 [0,1,0,0,0,0|3,0,0]=4 913 B8R0.7 COCCNCC(C)C 34a_100015185251_200000210301 [0,1,0,0,0,0|3,0,0]=4 914 B8R0.7 COCCOCC(C)C 34a_100000210237_100000210624 [0,1,0,0,0,0|3,0,0]=4 915 B8R0.7 COCCOCC(C)C 34a_100000210257_100011201679 [0,1,0,0,0,0|3,0,0]=4 916 B8R0.7 COCCOCC(C)C 34a_100000703358_200000210301 [0,1,0,0,0,0|3,0,0]=4 917 B8R0.7 COCCOCC(C)C 7a_100000703358_200000210301 [0,1,0,0,0,0|3,0,0]=4 918 B8R0.7 COCCSCC(C)C 34a_200000230437_200000210301 [0,1,0,0,0,0|3,0,0]=4 919 B8R0.7 COCCSCC(C)C 62a_100000210624_100000233755 [0,1,0,0,0,0|3,0,0]=4 920 B8R0.7 COCCSCC(C)C 62a_100000233755_100000210760 [0,1,0,0,0,0|3,0,0]=4 921 B8R0.7 COCCSCC(C)C 7a_200000230437_200000210301 [0,1,0,0,0,0|3,0,0]=4 922 B8R0.7 COCSCCC(C)C 62a_100000210312_100000766300 [0,1,0,0,0,0|1,1,1]=4 923 B8R0.7 COCSCCC(C)C 62a_100000766300_100000210312 [0,1,0,0,0,0|1,1,1]=4 924 B8R0.7 CSCCCCC(C)C 62a_100011216152_200000210301 [0,1,0,0,0,0|2,1,0]=4 925 B8R0.7 CSCCCCC(C)C 62a_200000210301_100011216152 [0,1,0,0,0,0|2,1,0]=4 926 B8R0.7 CSCCCNC(C)C 2230a_100000749238_100000210206 [0,1,0,0,0,0|3,0,0]=4 927 B8R0.7 CSCCCOC(C)C 34a_100000690336_100000210206 [0,1,0,0,0,0|3,0,0]=4 928 B8R0.7 CSCCCOC(C)C 7a_100000690336_100000210206 [0,1,0,0,0,0|3,0,0]=4 929 B8R0.7 CSCCNCC(C)C 2230a_100000210953_100000751147 [0,1,0,0,0,0|3,0,0]=4 930 B8R0.7 CSCCNCC(C)C 2230a_100020590264_100000210760 [0,1,0,0,0,0|3,0,0]=4 931 B8R0.7 CSCCNCC(C)C 270004a_100020590264_100000210432 [0,1,0,0,0,0|3,0,0]=4 932 B8R0.7 CSCCNCC(C)C 34a_100000210953_100000212216 [0,1,0,0,0,0|3,0,0]=4 933 B8R0.7 CSCCOCC(C)C 34a_100000210257_100000212216 [0,1,0,0,0,0|3,0,0]=4 934 B8R0.7 CSCCOCC(C)C 34a_100000230434_100000210624 [0,1,0,0,0,0|3,0,0]=4 935 B8R0.7 CSCCOCC(C)C 7a_100000230434_100000210760 [0,1,0,0,0,0|3,0,0]=4 936 B8R0.7 CSCCSCC(C)C 62a_100000210624_100000751147 [0,1,0,0,0,0|3,0,0]=4 937 B8R0.7 CSCCSCC(C)C 62a_100000212216_100000210760 [0,1,0,0,0,0|3,0,0]=4 938 B8R0.7 CSCOCCC(C)Br 34a_100009893172_100011218213 [0,1,0,0,0,0|2,1,0]=4 939 B8R0.7 CSCOCCC(C)C 34a_100000210254_100011218213 [0,1,0,0,0,0|1,1,0]=3 940 B8R0.7 CSCOCC[C@@H](C)N 34a_100000706166_100011218213 [0,1,0,0,0,0|2,1,0]=4 941 B8R0.7 CSCSCCC(C)C 62a_100000210312_100011218213 [0,1,0,0,0,0|1,2,0]=4 942 B8R0.7 CSCSCCC(C)C 62a_100011218213_100000210312 [0,1,0,0,0,0|1,2,0]=4 943 B8R0.7 C[C@@H](N)CCOCC=O 34a_100000706166_200009817547 [0,1,0,0,0,0|2,0,0]=3 944 B8R0.7 C[C@@H](N)CCOCCF 34a_100000706166_100011217306 [0,1,0,0,0,0|3,0,0]=4 945 B8R0.7 C[C@@H](N)CCOCCO 34a_100000706166_100000211926 [0,1,0,0,0,0|2,0,1]=4 946 B8R0.7 O=CCOCCC(F)F 34a_100103093639_200009817547 [0,1,0,0,0,0|3,0,0]=4 947 B8R0.8 CC(C)C(C)NCC=O 2230a_100000211541_200015260668 [0,1,0,0,0,0|3,0,0]=4 948 B8R0.8 CC(C)C(C)OCC=O 7a_100000748068_200015260668 [0,1,0,0,0,0|3,0,0]=4 949 B8R0.8 CC(C)C(N)CCO[13CH3] 34a_100161115045_200025704644 [0,1,0,0,0,0|3,0,0]=4 950 B8R0.8 CC(C)C(O)CNCF 34a_100000759067_100015361967 [0,1,0,0,0,0|3,0,0]=4 951 B8R0.8 CC(C)[C@@H](N)COCF 34a_100011830312_100015361967 [0,1,0,0,0,0|2,0,0]=3 952 B8R0.8 CCNCC(O)C(C)C 2230a_100000759067_100000210202 [0,1,0,0,0,0|3,0,0]=4 953 B8R0.8 CCNCC(O)C(C)C 34a_100000759067_100000210202 [0,1,0,0,0,0|3,0,0]=4 954 B8R0.8 CCOCC(=O)C(C)C 1458a_100000211967_100000210206 [0,1,0,0,0,0|2,0,1]=4 955 B8R0.8 CCOCC(=O)C(C)C 34a_100121572206_100000753385 [0,1,0,0,0,0|2,0,1]=4 956 B8R0.8 CCOCN(C)C(C)C 269982a_200000211004_100000739092 [0,1,0,0,0,0|3,0,0]=4 957 B8R0.8 CCOC[C@H](N)C(C)C 34a_100011830312_100000210202 [0,1,0,0,0,0|2,0,0]=3 958 B8R0.8 COCCC(N)C(C)C 34a_100161115045_200000210301 [0,1,0,0,0,0|3,0,0]=4 959 B8R0.9 C#CC(=O)CCC(C)C 1458a_100000211873_100000210312 [0,1,0,0,0,0|3,0,0]=4 960 B8R0.9 C=CC(=O)CCC(C)C 1458a_100000185746_100000210312 [0,1,0,0,0,0|3,0,0]=4 961 B8R0.9 CC(C)CCC(=O)CF 1458a_100000181311_100015361967 [0,1,0,0,0,0|3,0,0]=4 962 B8R0.9 CC(C)CCC(=O)CO 1458a_100000210174_100000210312 [0,1,0,0,0,0|2,0,1]=4 963 B8R0.9 CC(C)CCC(C)N[13CH3] 2230a_100138410893_200025704644 [0,1,0,0,0,0|2,0,1]=4 964 B8R0.9 CC(C)CCC(C)O[13CH3] 34a_100011215350_200025704644 [0,1,0,0,0,0|3,0,0]=4 965 B8R0.9 CC(C)CCC(C)O[13CH3] 7a_100011215350_200025704644 [0,1,0,0,0,0|3,0,0]=4 966 B8R0.9 CC(C)CCC(C)S[13CH3] 62a_100011261404_200025704644 [0,1,0,0,0,0|3,0,0]=4 967 B8R0.9 CC(C)CCC(C)S[13CH3] 62a_200025704644_100011261404 [0,1,0,0,0,0|3,0,0]=4 968 B8R0.9 CC(C)CCN(C)CF 269982a_100000742789_100015361967 [0,1,0,0,0,0|3,0,0]=4 969 B8R0.9 CCC(=O)CCC(C)C 1458a_100000181311_100000210202 [0,1,0,0,0,0|3,0,0]=4 970 B8R0.9 CCC(=O)CCC(C)C 1458a_100000210414_100000210312 [0,1,0,0,0,0|3,0,0]=4 971 B8R0.9 CCN(C)CCC(C)C 2230a_100000207693_200000210301 [0,1,0,0,0,0|3,0,0]=4 972 B8R0.9 CCN(C)CCC(C)C 2230a_100000225621_100000210312 [0,1,0,0,0,0|3,0,0]=4 973 B8R0.9 CCN(C)CCC(C)C 2230a_100000742789_100000210202 [0,1,0,0,0,0|3,0,0]=4 974 B8R0.9 CCN(C)CCC(C)C 269982a_100000207693_200000210301 [0,1,0,0,0,0|3,0,0]=4 975 B8R0.9 CCN(C)CCC(C)C 269982a_100000225621_100000210312 [0,1,0,0,0,0|3,0,0]=4 976 B8R0.9 CCN(C)CCC(C)C 269982a_100000742789_100000204670 [0,1,0,0,0,0|3,0,0]=4 977 B8R0.9 CCN([13CH3])CCC(C)C 2230a_100000207693_200025704644 [0,1,0,0,0,0|3,0,0]=4 978 B8R0.9 CCN([13CH3])CCC(C)C 269982a_100000207693_200025704644 [0,1,0,0,0,0|3,0,0]=4 979 B8R0.9 CNC(=O)CCC(C)C 11a_106832991635_100000181311 [0,1,0,0,0,0|2,0,1]=4 980 B8R0.9 CNC(=O)CCC(C)C 1626a_100102657272_100000181311 [0,1,0,0,0,0|2,0,1]=4 981 B8R0.9 CNC(=O)CCC(C)C 240690a_100102657272_100000181311 [0,1,0,0,0,0|2,0,1]=4 982 B8R0.9 CNC(=O)CCC(C)C 527a_100102657272_100000181311 [0,1,0,0,0,0|2,0,1]=4 983 B8R0.9 CNC(C)CCC(C)C 2230a_100138410893_200000210301 [0,1,0,0,0,0|2,0,1]=4 984 B8R0.9 CNC(C)CCC(C)C 2230a_106832991635_100011261404 [0,1,0,0,0,0|2,0,1]=4 985 B8R0.9 CNC(C)CCC(C)C 270004a_106832991635_100000210476 [0,1,0,0,0,0|2,0,1]=4 986 B8R0.9 CNC(C)CCC(C)C 34a_100102657272_100011261404 [0,1,0,0,0,0|2,0,1]=4 987 B8R0.9 COC(C)CCC(C)C 34a_100011215350_200000210301 [0,1,0,0,0,0|3,0,0]=4 988 B8R0.9 COC(C)CCC(C)C 34a_100138415774_100011261404 [0,1,0,0,0,0|3,0,0]=4 989 B8R0.9 COC(C)CCC(C)C 7a_100011215350_200000210301 [0,1,0,0,0,0|3,0,0]=4 990 B8R0.9 CSC(C)CCC(C)C 62a_100011261404_200000210301 [0,1,0,0,0,0|3,0,0]=4 991 B8R0.9 CSC(C)CCC(C)C 62a_200000210301_100011261404 [0,1,0,0,0,0|3,0,0]=4 992 B8R0.21 CC(C)(C)CCOCF 7a_100000765024_100015361967 [0,1,0,0,0,0|2,0,0]=3 993 B8R0.21 CC(C)(C)CCSCF 62a_100000755188_100015361967 [0,1,0,0,0,0|2,1,0]=4 994 B8R0.21 CC(C)(C)CCSCF 62a_100015361967_100000755188 [0,1,0,0,0,0|2,1,0]=4 995 B8R0.21 CC(C)(C)CNCC=O 2230a_100000743828_200015260668 [0,1,0,0,0,0|3,0,0]=4 996 B8R0.21 CC(C)(C)CSCC=O 62a_100011219605_200015260668 [0,1,0,0,0,0|3,0,0]=4 997 B8R0.21 CC(C)(C)CSCC=O 62a_200015260668_100011219605 [0,1,0,0,0,0|3,0,0]=4 998 B8R0.21 CC(C)(F)CNCC=O 2230a_100020643315_200015260668 [0,1,0,0,0,0|3,0,0]=4 999 B8R0.21 CC(C)(F)COCC=O 34a_100000716592_200009817547 [0,1,0,0,0,0|3,0,0]=4 1000 B8R0.21 CC(C)(F)CSCC=O 62a_100011997219_200015260668 [0,1,0,0,0,0|3,0,0]=4 1001 B8R0.21 CC(C)(F)CSCC=O 62a_200015260668_100011997219 [0,1,0,0,0,0|3,0,0]=4 1002 B8R0.21 CC(C)(O)CCCS[13CH3] 62a_100009888830_200025704644 [0,1,0,0,0,0|3,0,0]=4 1003 B8R0.21 CC(C)(O)CCCS[13CH3] 62a_200025704644_100009888830 [0,1,0,0,0,0|3,0,0]=4 1004 B8R0.21 CC(C)(O)CCSCF 62a_100000702414_100015361967 [0,1,0,0,0,0|2,1,0]=4 1005 B8R0.21 CC(C)(O)CCSCF 62a_100015361967_100000702414 [0,1,0,0,0,0|2,1,0]=4 1006 B8R0.21 CC(C)(O)CNCC=O 2230a_100000751335_200015260668 [0,1,0,0,0,0|3,0,0]=4 1007 B8R0.21 CC(C)(O)CSCC=O 62a_100000764493_200015260668 [0,1,0,0,0,0|3,0,0]=4 1008 B8R0.21 CC(C)(O)CSCC=O 62a_200015260668_100000764493 [0,1,0,0,0,0|3,0,0]=4 1009 B8R0.21 CCNCCC(C)(C)C 2230a_100000738805_100000210202 [0,1,0,0,0,0|3,0,0]=4 1010 B8R0.21 CCNCCC(C)(C)C 2230a_100015525214_100000755188 [0,1,0,0,0,0|3,0,0]=4 1011 B8R0.21 CCNCCC(C)(C)F 2230a_100016253952_100000210202 [0,1,0,0,0,0|3,0,0]=4 1012 B8R0.21 CCNCCC(C)(C)O 2230a_100015525214_100000702414 [0,1,0,0,0,0|3,0,0]=4 1013 B8R0.21 CCOCCC(C)(C)C 34a_100121572206_100000755188 [0,1,0,0,0,0|2,0,0]=3 1014 B8R0.21 CCOCCC(C)(C)C 7a_100000765024_100000210202 [0,1,0,0,0,0|2,0,0]=3 1015 B8R0.21 CCOCCC(C)(C)O 34a_100121572206_100000702414 [0,1,0,0,0,0|2,0,0]=3 1016 B8R0.21 CCOCC[N+](C)(C)C 34a_100121572206_100000085578 [0,1,0,0,0,0|3,0,0]=4 1017 B8R0.21 CCOCC[N+](C)(C)C 7a_200020618287_100000210202 [0,1,0,0,0,0|3,0,0]=4 1018 B8R0.21 CCOCC[Si](C)(C)C 34a_100121572206_200000733723 [0,1,0,0,0,0|2,1,0]=4 1019 B8R0.21 CCOCC[Si](C)(C)C 7a_100000039746_100000210202 [0,1,0,0,0,0|2,1,0]=4 1020 B8R0.21 CCOCSC(C)(C)C 62a_100000211941_100000739092 [0,1,0,0,0,0|3,0,0]=4 1021 B8R0.21 CCOCSC(C)(C)C 62a_100000739092_100000211941 [0,1,0,0,0,0|3,0,0]=4 1022 B8R0.21 CCSCCC(C)(C)C 62a_100000210202_100000755188 [0,1,0,0,0,0|2,1,0]=4 1023 B8R0.21 CCSCCC(C)(C)C 62a_100000755188_100000210202 [0,1,0,0,0,0|2,1,0]=4 1024 B8R0.21 CCSCCC(C)(C)O 62a_100000210202_100000702414 [0,1,0,0,0,0|2,1,0]=4 1025 B8R0.21 CCSCCC(C)(C)O 62a_100000702414_100000210202 [0,1,0,0,0,0|2,1,0]=4 1026 B8R0.21 CNCCCC(C)(C)O 2230a_106832991635_100009888830 [0,1,0,0,0,0|2,0,1]=4 1027 B8R0.21 CNCCCC(C)(C)O 34a_100102657272_100009888830 [0,1,0,0,0,0|2,0,1]=4 1028 B8R0.21 CNCCCC(C)(C)O 7a_106832991635_100009888830 [0,1,0,0,0,0|2,0,1]=4 1029 B8R0.21 COCCCC(C)(C)O 34a_100138415774_100009888830 [0,1,0,0,0,0|3,0,0]=4 1030 B8R0.21 CSCCCC(C)(C)O 62a_100009888830_200000210301 [0,1,0,0,0,0|3,0,0]=4 1031 B8R0.21 CSCCCC(C)(C)O 62a_200000210301_100009888830 [0,1,0,0,0,0|3,0,0]=4 1032 B8R0.21 C[N+](C)(C)CCOCF 7a_200020618287_100015361967 [0,1,0,0,0,0|3,0,0]=4 1033 B8R0.21 C[Si](C)(C)CCOCF 7a_100000039746_100015361967 [0,1,0,0,0,0|2,1,0]=4 1034 B8R0.28 CC(=O)CCCC(C)C 1458a_100000070787_100011214892 [0,1,0,0,0,0|2,0,0]=3 1035 B8R0.28 CC(=O)CCCC(C)C 1458a_100011216857_200000210301 [0,1,0,0,0,0|2,0,0]=3 1036 B8R0.28 CC(=O)CCCC(C)O 1458a_100000070787_200000718107 [0,1,0,0,0,0|3,0,0]=4 1037 B8R0.28 CC(=O)CCCN(C)C 1458a_100000070787_100000695564 [0,1,0,0,0,0|3,0,0]=4 1038 B8R0.28 CC(=O)CCCN(C)C 269982a_100102631434_100011215641 [0,1,0,0,0,0|3,0,0]=4 1039 B8R0.28 CC(=O)CCOC(=O)C 1458a_100000070787_100009814007 [0,1,0,0,0,0|2,0,1]=4 1040 B8R0.28 CC(=O)CCOC(=O)N 1458a_100000070787_200011214921 [0,1,0,0,0,0|2,0,1]=4 1041 B8R0.28 CC(=O)CCOC(C)C 1458a_100000070787_100000211751 [0,1,0,0,0,0|3,0,0]=4 1042 B8R0.28 CC(=O)CCOC(C)C 34a_100000759926_100000210206 [0,1,0,0,0,0|3,0,0]=4 1043 B8R0.28 CC(=O)CCOC(C)C 7a_100000759926_100000210206 [0,1,0,0,0,0|3,0,0]=4 1044 B8R0.28 CC(=O)CCSC(C)C 1458a_100000070787_100000730970 [0,1,0,0,0,0|3,0,0]=4 1045 B8R0.28 CC(=O)CCSC(C)C 62a_100000053229_100000210206 [0,1,0,0,0,0|3,0,0]=4 1046 B8R0.28 CC(=O)CCSC(C)C 62a_100000210206_100000053229 [0,1,0,0,0,0|3,0,0]=4 1047 B8R0.28 CC(=O)COCC(C)C 1458a_100011223364_200000210301 [0,1,0,0,0,0|3,0,0]=4 1048 B8R0.28 CC(=O)COCC(C)C 34a_100000211253_100000210624 [0,1,0,0,0,0|3,0,0]=4 1049 B8R0.28 CC(=O)NCCC(C)C 11a_100000210545_100015343762 [0,1,0,0,0,0|2,0,0]=3 1050 B8R0.28 CC(=O)NCCC(C)C 1626a_100000210545_100015343762 [0,1,0,0,0,0|2,0,0]=3 1051 B8R0.28 CC(=O)NCCC(C)C 240690a_100000210545_100015343762 [0,1,0,0,0,0|2,0,0]=3 1052 B8R0.28 CC(=O)NCCC(C)C 527a_100000210545_100103153847 [0,1,0,0,0,0|2,0,0]=3 1053 B8R0.28 CC(=O)NCCC(C)O 240690a_200000755665_100015343762 [0,1,0,0,0,0|3,0,0]=4 1054 B8R0.28 CC(=O)NCCC(C)O 527a_200000755665_100103153847 [0,1,0,0,0,0|3,0,0]=4 1055 B8R0.28 CC(=O)NCCN(C)C 2230a_100102631434_100000189650 [0,1,0,0,0,0|3,0,0]=4 1056 B8R0.28 CC(=O)NCCN(C)C 240690a_100000210585_100015343762 [0,1,0,0,0,0|3,0,0]=4 1057 B8R0.28 CC(=O)NCCN(C)C 269982a_100102631434_100000189650 [0,1,0,0,0,0|3,0,0]=4 1058 B8R0.28 CC(=O)NCCN(C)C 527a_100000210585_100103153847 [0,1,0,0,0,0|3,0,0]=4 1059 B8R0.28 CC(=O)NNCC(C)C 22a_100000696102_100000070787 [0,1,0,0,0,0|3,0,0]=4 1060 B8R0.28 CC(=O)OCCN(C)C 269982a_100102631434_100009814007 [0,1,0,0,0,0|2,0,0]=3 1061 B8R0.28 CC(=O)OCNC(C)C 34a_100138425928_100009813279 [0,1,0,0,0,0|2,0,0]=3 1062 B8R0.28 CC(=O)OCOC(C)C 34a_100000212225_100009813279 [0,1,0,0,0,0|2,0,0]=3 1063 B8R0.28 CC(=O)OCSC(C)C 62a_100000076356_100000210206 [0,1,0,0,0,0|2,0,0]=3 1064 B8R0.28 CC(=O)OCSC(C)C 62a_100000210206_100000076356 [0,1,0,0,0,0|2,0,0]=3 1065 B8R0.28 CC(Br)CCOC(C)C 34a_100009893172_100000210206 [0,1,0,0,0,0|3,0,0]=4 1066 B8R0.28 CC(C)CCCC(=O)[13CH3] 1458a_100011216857_200025704644 [0,1,0,0,0,0|2,0,0]=3 1067 B8R0.28 CC(C)CCCN(C)C 2230a_100102631434_100011214892 [0,1,0,0,0,0|2,0,1]=4 1068 B8R0.28 CC(C)CCCN(C)C 269982a_100102631434_100011214892 [0,1,0,0,0,0|2,0,1]=4 1069 B8R0.28 CC(C)CCNC(C)C 2230a_100138425928_100000210312 [0,1,0,0,0,0|3,0,0]=4 1070 B8R0.28 CC(C)CCNC(C)C 34a_100138425928_100000210312 [0,1,0,0,0,0|3,0,0]=4 1071 B8R0.28 CC(C)CCOC(C)C 34a_100000210254_100000210206 [0,1,0,0,0,0|2,0,0]=3 1072 B8R0.28 CC(C)CCOC(C)C 34a_100000212225_100000210312 [0,1,0,0,0,0|2,0,0]=3 1073 B8R0.28 CC(C)CCOC(C)C 7a_100000210254_100000210206 [0,1,0,0,0,0|2,0,0]=3 1074 B8R0.28 CC(C)CCSC(C)C 62a_100000210206_100000210312 [0,1,0,0,0,0|2,1,0]=4 1075 B8R0.28 CC(C)CCSC(C)C 62a_100000210312_100000210206 [0,1,0,0,0,0|2,1,0]=4 1076 B8R0.28 CC(C)CNCC(=O)N 2230a_100000210953_100000747473 [0,1,0,0,0,0|3,0,0]=4 1077 B8R0.28 CC(C)CNCC(=O)N 2230a_100000711301_100000210760 [0,1,0,0,0,0|3,0,0]=4 1078 B8R0.28 CC(C)CNCC(=O)N 34a_100000210953_100000187820 [0,1,0,0,0,0|3,0,0]=4 1079 B8R0.28 CC(C)CNCC(=O)O 269956a_100016091260_100000210760 [0,1,0,0,0,0|3,0,0]=4 1080 B8R0.28 CC(C)CNCC(=O)[O-] 34a_100000210953_100020667443 [0,1,0,0,0,0|3,0,0]=4 1081 B8R0.28 CC(C)CNC[N+](=O)[O-] 34a_100000210953_100000761209 [0,1,0,0,0,0|2,0,1]=4 1082 B8R0.28 CC(C)COCC(=O)N 34a_100000210257_100000187820 [0,1,0,0,0,0|3,0,0]=4 1083 B8R0.28 CC(C)COCC(=O)[13CH3] 1458a_100011223364_200025704644 [0,1,0,0,0,0|3,0,0]=4 1084 B8R0.28 CC(C)COCC(=O)[O-] 34a_100000210257_100020667443 [0,1,0,0,0,0|3,0,0]=4 1085 B8R0.28 CC(C)COC[N+](=O)[O-] 34a_100000210257_100000761209 [0,1,0,0,0,0|2,0,1]=4 1086 B8R0.28 CC(C)CSCC(=O)N 62a_100000210624_100000747473 [0,1,0,0,0,0|3,0,0]=4 1087 B8R0.28 CC(C)CSCC(=O)N 62a_100000747473_100000210760 [0,1,0,0,0,0|3,0,0]=4 1088 B8R0.28 CC(C)CSCC(=O)[O-] 62a_100000210624_100020667443 [0,1,0,0,0,0|3,0,0]=4 1089 B8R0.28 CC(C)CSCC(=O)[O-] 62a_100020667443_100000210760 [0,1,0,0,0,0|3,0,0]=4 1090 B8R0.28 CC(C)CSC[N+](=O)[O-] 62a_100000210624_100000761209 [0,1,0,0,0,0|2,0,1]=4 1091 B8R0.28 CC(C)NCCC(=O)N 2230a_100138425928_100000744528 [0,1,0,0,0,0|3,0,0]=4 1092 B8R0.28 CC(C)NCCC(=O)N 34a_100138425928_100000731001 [0,1,0,0,0,0|3,0,0]=4 1093 B8R0.28 CC(C)NCOC(C)C 2230a_100138425928_100000709892 [0,1,0,0,0,0|3,0,0]=4 1094 B8R0.28 CC(C)NCOC(C)C 34a_100138425928_100000709892 [0,1,0,0,0,0|3,0,0]=4 1095 B8R0.28 CC(C)OCCC(=O)N 34a_100000212225_100000731001 [0,1,0,0,0,0|3,0,0]=4 1096 B8R0.28 CC(C)OCCC(=O)N 34a_100000757172_100000210206 [0,1,0,0,0,0|3,0,0]=4 1097 B8R0.28 CC(C)OCCC(=O)N 7a_100000757172_100000210206 [0,1,0,0,0,0|3,0,0]=4 1098 B8R0.28 CC(C)OCCN(C)C 2230a_100102631434_100000211751 [0,1,0,0,0,0|3,0,0]=4 1099 B8R0.28 CC(C)OCCN(C)C 269982a_100102631434_100000211751 [0,1,0,0,0,0|3,0,0]=4 1100 B8R0.28 CC(C)OCC[C@@H](C)N 34a_100000706166_100000210206 [0,1,0,0,0,0|3,0,0]=4 1101 B8R0.28 CC(C)OCOC(C)C 34a_100000212225_100000709892 [0,1,0,0,0,0|3,0,0]=4 1102 B8R0.28 CC(C)OCSC(C)C 62a_100000210206_100000709892 [0,1,0,0,0,0|3,0,0]=4 1103 B8R0.28 CC(C)OCSC(C)C 62a_100000709892_100000210206 [0,1,0,0,0,0|3,0,0]=4 1104 B8R0.28 CC(C)SCCC(=O)N 62a_100000210206_100000744528 [0,1,0,0,0,0|3,0,0]=4 1105 B8R0.28 CC(C)SCCC(=O)N 62a_100000744528_100000210206 [0,1,0,0,0,0|3,0,0]=4 1106 B8R0.28 CC(O)CCOC(C)C 34a_100000212225_100012276601 [0,1,0,0,0,0|3,0,0]=4 1107 B8R0.28 CN(C)CCCC(=O)N 269982a_100102631434_100102525003 [0,1,0,0,0,0|3,0,0]=4 1108 B8R0.28 CN(C)CCCC(=O)O 269956a_100000719178_200000210301 [0,1,0,0,0,0|3,0,0]=4 1109 B8R0.28 CN(C)CCNC(=O)N 2230a_100102631434_200000034859 [0,1,0,0,0,0|3,0,0]=4 1110 B8R0.28 CN(C)CCNC(=O)N 269982a_100102631434_200000034859 [0,1,0,0,0,0|3,0,0]=4 1111 B8R0.28 CN(C)CCOC(=O)N 269982a_100102631434_200011214921 [0,1,0,0,0,0|2,0,0]=3 1112 B8R0.28 CN([13CH3])CCCC(=O)O 269956a_100000719178_200025704644 [0,1,0,0,0,0|3,0,0]=4 1113 B8R1.1 CC1CCC(C1)O[13CH3] 34a_100000698185_200025704644 [0,0,0,1,0,0|3,0,0]=4 1114 B8R1.1 CCN1CC[C@H](C1)C 2230a_100016987628_100000210202 [0,0,0,1,0,0|3,0,0]=4 1115 B8R1.1 CCN1CC[C@H](C1)C 269982a_100016987628_100000204670 [0,0,0,1,0,0|3,0,0]=4 1116 B8R1.1 CCN1CC[C@H](C1)C 34a_100016987628_100000210202 [0,0,0,1,0,0|3,0,0]=4 1117 B8R1.1 CNC1CCC(C1)C 270004a_106832991635_100011215218 [0,0,0,1,0,0|2,0,1]=4 1118 B8R1.1 COC1CCC(C1)C 34a_100000698185_200000210301 [0,0,0,1,0,0|3,0,0]=4 1119 B8R1.1 C[C@@H]1CCN(C1)CF 269982a_100016987628_100015361967 [0,0,0,1,0,0|3,0,0]=4 1120 B8R1.1 C[C@@H]1CCN(C1)CF 34a_100016987628_100015361967 [0,0,0,1,0,0|3,0,0]=4 1121 B8R1.4 CC1CN(CCO1)C 2230a_100000729577_200000210301 [0,0,0,1,0,0|3,0,0]=4 1122 B8R1.4 CC1CN(CCO1)C 269982a_100000729577_200000210301 [0,0,0,1,0,0|3,0,0]=4 1123 B8R1.4 CC1CN(CCO1)C 34a_100000729577_200000210301 [0,0,0,1,0,0|3,0,0]=4 1124 B8R1.4 CC1CN(CCO1)[13CH3] 2230a_100000729577_200025704644 [0,0,0,1,0,0|3,0,0]=4 1125 B8R1.4 CC1CN(CCO1)[13CH3] 269982a_100000729577_200025704644 [0,0,0,1,0,0|3,0,0]=4 1126 B8R1.4 CC1CN(CCO1)[13CH3] 34a_100000729577_200025704644 [0,0,0,1,0,0|3,0,0]=4 1127 B8R1.4 CN1CCNC(=O)C1 2230a_100000184651_200000210301 [0,0,0,1,0,0|3,0,0]=4 1128 B8R1.4 CN1CCOC(=O)C1 2230a_100000131268_200000210301 [0,0,0,1,0,0|2,0,0]=3 1129 B8R1.4 CN1CCOC(C1)O 2230a_100000688207_200000210301 [0,0,0,1,0,0|2,0,1]=4 1130 B8R1.4 CN1CCOC(C1)O 269982a_100000688207_200000210301 [0,0,0,1,0,0|2,0,1]=4 1131 B8R1.4 C[C@H]1CCCN(C1)C 2230a_100000717927_200000210301 [0,0,0,1,0,0|2,0,1]=4 1132 B8R1.4 C[C@H]1CCCN(C1)C 269982a_100000717927_200000210301 [0,0,0,1,0,0|2,0,1]=4 1133 B8R1.4 C[C@H]1CCCN(C1)C 34a_100000717927_200000210301 [0,0,0,1,0,0|2,0,1]=4 1134 B8R1.4 C[C@H]1CCCN(C1)[13CH3] 2230a_100000717927_200025704644 [0,0,0,1,0,0|2,0,1]=4 1135 B8R1.4 C[C@H]1CCCN(C1)[13CH3] 269982a_100000717927_200025704644 [0,0,0,1,0,0|2,0,1]=4 1136 B8R1.4 C[C@H]1CCCN(C1)[13CH3] 34a_100000717927_200025704644 [0,0,0,1,0,0|2,0,1]=4 1137 B8R1.4 [13CH3]N1CCNC(=O)C1 2230a_100000184651_200025704644 [0,0,0,1,0,0|3,0,0]=4 1138 B8R1.4 [13CH3]N1CCOC(=O)C1 2230a_100000131268_200025704644 [0,0,0,1,0,0|2,0,0]=3 1139 B8R1.4 [13CH3]N1CCOC(C1)O 2230a_100000688207_200025704644 [0,0,0,1,0,0|2,0,1]=4 1140 B8R1.4 [13CH3]N1CCOC(C1)O 269982a_100000688207_200025704644 [0,0,0,1,0,0|2,0,1]=4 1141 B8R1.6 CC1CN(C1)CC=O 2230a_100000702820_200015260668 [0,0,0,1,0,0|3,0,0]=4 1142 B8R1.6 CC1CN(C1)CC=O 269982a_100000702820_200015260668 [0,0,0,1,0,0|3,0,0]=4 1143 B8R1.6 CC1CN(C1)CC=O 34a_100000702820_200009817547 [0,0,0,1,0,0|3,0,0]=4 1144 B8R1.6 CCOC1CN(C1)C 269982a_100000732654_200000210301 [0,0,0,1,0,0|3,0,0]=4 1145 B8R1.6 CCOC1CN(C1)C 34a_100000732654_200000210301 [0,0,0,1,0,0|3,0,0]=4 1146 B8R1.6 CCOC1CN(C1)[13CH3] 269982a_100000732654_200025704644 [0,0,0,1,0,0|3,0,0]=4 1147 B8R1.6 CCOC1CN(C1)[13CH3] 34a_100000732654_200025704644 [0,0,0,1,0,0|3,0,0]=4 1148 B8R1.7 CN(C)C1CCOC1 2230a_100016988252_200000210301 [0,0,0,1,0,0|3,0,0]=4 1149 B8R1.7 CN(C)C1CCOC1 2230a_100102631434_100000731011 [0,0,0,1,0,0|3,0,0]=4 1150 B8R1.7 CN(C)C1CCOC1 269982a_100016988252_200000210301 [0,0,0,1,0,0|3,0,0]=4 1151 B8R1.7 CN(C)C1CCOC1 269982a_100102631434_100000731011 [0,0,0,1,0,0|3,0,0]=4 1152 B8R1.7 CN(C)C1CCOC1 270004a_100102631434_100000752484 [0,0,0,1,0,0|3,0,0]=4 1153 B8R1.7 CN(C)C1CCOC1 34a_100016988252_200000210301 [0,0,0,1,0,0|3,0,0]=4 1154 B8R1.7 CN([13CH3])C1CCOC1 2230a_100016988252_200025704644 [0,0,0,1,0,0|3,0,0]=4 1155 B8R1.7 CN([13CH3])C1CCOC1 269982a_100016988252_200025704644 [0,0,0,1,0,0|3,0,0]=4 1156 B8R1.7 CN([13CH3])C1CCOC1 34a_100016988252_200025704644 [0,0,0,1,0,0|3,0,0]=4 1157 B8R1.9 CC1CC1COCF 34a_100000744939_100015361967 [0,0,0,1,0,0|2,0,0]=3 1158 B8R1.9 CC1CC1COCF 7a_100000744939_100015361967 [0,0,0,1,0,0|2,0,0]=3 1159 B8R1.9 CCOCC1CC1C 34a_100000744939_100000210202 [0,0,0,1,0,0|2,0,0]=3 1160 B8R1.9 CCOCC1CC1C 7a_100000744939_100000210202 [0,0,0,1,0,0|2,0,0]=3 1161 B8R1.19 CC1(CCCN1[13CH3])C 2230a_100000761399_200025704644 [0,0,0,1,0,0|2,0,1]=4 1162 B8R1.19 CC1(CCCN1[13CH3])C 269982a_100000761399_200025704644 [0,0,0,1,0,0|2,0,1]=4 1163 B8R1.19 CC1(CCCN1[13CH3])C 34a_100000761399_200025704644 [0,0,0,1,0,0|2,0,1]=4 1164 B8R1.19 CN1CCCC1(C)C 2230a_100000761399_200000210301 [0,0,0,1,0,0|2,0,1]=4 1165 B8R1.19 CN1CCCC1(C)C 269982a_100000761399_200000210301 [0,0,0,1,0,0|2,0,1]=4 1166 B8R1.19 CN1CCCC1(C)C 34a_100000761399_200000210301 [0,0,0,1,0,0|2,0,1]=4 1167 B8R1.22 CN1CCCOCC1 2230a_100000685342_200000210301 [0,0,0,1,0,0|3,0,0]=4 1168 B8R1.22 CN1CCCOCC1 269982a_100000685342_200000210301 [0,0,0,1,0,0|3,0,0]=4 1169 B8R1.22 CN1CCCOCC1 34a_100000685342_200000210301 [0,0,0,1,0,0|3,0,0]=4 1170 B8R1.22 [13CH3]N1CCCOCC1 2230a_100000685342_200025704644 [0,0,0,1,0,0|3,0,0]=4 1171 B8R1.22 [13CH3]N1CCCOCC1 269982a_100000685342_200025704644 [0,0,0,1,0,0|3,0,0]=4 1172 B8R1.22 [13CH3]N1CCCOCC1 34a_100000685342_200025704644 [0,0,0,1,0,0|3,0,0]=4 1173 B8R1.27 CC1(CC1CO[13CH3])C 34a_100000728257_200025704644 [0,0,0,1,0,0|3,0,0]=4 1174 B8R1.27 CC1(CC1CO[13CH3])C 7a_100000728257_200025704644 [0,0,0,1,0,0|3,0,0]=4 1175 B8R1.27 COCC1CC1(C)C 34a_100000728257_200000210301 [0,0,0,1,0,0|3,0,0]=4 1176 B8R1.27 COCC1CC1(C)C 7a_100000728257_200000210301 [0,0,0,1,0,0|3,0,0]=4 1177 B8R1.31 CN(C)C1CCC1=O 269982a_100102631434_100009892977 [0,0,0,1,0,0|3,0,0]=4 1178 B8R1.34 CN(C)CC1CCO1 2230a_100102631434_100000103362 [0,0,0,1,0,0|3,0,0]=4 1179 B8R1.34 CN(C)CC1CCO1 269982a_100102631434_100000103362 [0,0,0,1,0,0|3,0,0]=4 1180 B8R1.36 CCNCCC1CC1 2230a_100015525214_100000694398 [0,0,0,1,0,0|3,0,0]=4 1181 B8R1.36 CCNCCC1CC1 34a_100000764129_100000210202 [0,0,0,1,0,0|3,0,0]=4 1182 B8R1.36 CCOCCC1CC1 34a_100000754188_100000210202 [0,0,0,1,0,0|2,0,0]=3 1183 B8R1.36 CCOCCC1CC1 34a_100121572206_100000694398 [0,0,0,1,0,0|2,0,0]=3 1184 B8R1.36 CCOCCC1CC1 7a_100000754188_100000210202 [0,0,0,1,0,0|2,0,0]=3 1185 B8R1.36 CCOCCC1CO1 34a_100121572206_100000732470 [0,0,0,1,0,0|3,0,0]=4 1186 B8R1.36 CCOCC[C@@H]1CO1 34a_100009820653_100000210202 [0,0,0,1,0,0|3,0,0]=4 1187 B8R1.36 CCOCSC1CC1 62a_100000739092_100000211595 [0,0,0,1,0,0|3,0,0]=4 1188 B8R1.36 CCSCCC1CC1 62a_100000210202_100000764125 [0,0,0,1,0,0|2,1,0]=4 1189 B8R1.36 CCSCCC1CC1 62a_100000764125_100000210202 [0,0,0,1,0,0|2,1,0]=4 1190 B8R1.36 FCNCCC1CC1 34a_100000764129_100015361967 [0,0,0,1,0,0|3,0,0]=4 1191 B8R1.36 FCOCCC1CC1 34a_100000754188_100015361967 [0,0,0,1,0,0|2,0,0]=3 1192 B8R1.36 FCOCCC1CC1 7a_100000754188_100015361967 [0,0,0,1,0,0|2,0,0]=3 1193 B8R1.36 FCOCC[C@@H]1CO1 34a_100009820653_100015361967 [0,0,0,1,0,0|3,0,0]=4 1194 B8R1.36 FCSCCC1CC1 62a_100000764125_100015361967 [0,0,0,1,0,0|2,1,0]=4 1195 B8R1.36 FCSCCC1CC1 62a_100015361967_100000764125 [0,0,0,1,0,0|2,1,0]=4 1196 B8R1.36 O=CCNCC1CC1 2230a_100000735609_200015260668 [0,0,0,1,0,0|3,0,0]=4 1197 B8R1.36 O=CCNCC1CC1 34a_100000735609_200009817547 [0,0,0,1,0,0|3,0,0]=4 1198 B8R1.36 O=CCOCC1CC1 34a_100000211283_200009817547 [0,0,0,1,0,0|3,0,0]=4 1199 B8R1.36 O=CCSCC1CC1 62a_100000756562_200015260668 [0,0,0,1,0,0|3,0,0]=4 1200 B8R1.36 O=CCSCC1CC1 62a_200015260668_100000742324 [0,0,0,1,0,0|3,0,0]=4 1201 B5R0.1 CC(=O)CCO 1458a_100000070787_100000211926 [2,0,0,0,0,0|1,0,1]=4 1202 B5R0.1 CC(=O)CCO 1458a_100011216618_200000210301 [2,0,0,0,0,0|1,0,1]=4 1203 B5R0.1 CC(Br)CO[13CH3] 34a_100012180447_200025704644 [2,0,0,0,0,0|2,0,0]=4 1204 B5R0.1 CC(C)CN[13CH3] 2230a_100000210953_200025704644 [2,0,0,0,0,0|1,0,1]=4 1205 B5R0.1 CC(C)CN[13CH3] 34a_100000210953_200025704644 [2,0,0,0,0,0|1,0,1]=4 1206 B5R0.1 CC(C)CO[13CH3] 34a_100000210257_200025704644 [2,0,0,0,0,0|1,0,0]=3 1207 B5R0.1 CC(C)CS[13CH3] 62a_100000210624_200025704644 [2,0,0,0,0,0|1,1,0]=4 1208 B5R0.1 CC(C)CS[13CH3] 62a_200025704644_100000210760 [2,0,0,0,0,0|1,1,0]=4 1209 B5R0.1 CC(C)NCF 34a_100138425928_100015361967 [2,0,0,0,0,0|2,0,0]=4 1210 B5R0.1 CC(C)OCF 34a_100000212225_100015361967 [2,0,0,0,0,0|2,0,0]=4 1211 B5R0.1 CC(C)SCF 62a_100000210206_100015361967 [2,0,0,0,0,0|2,0,0]=4 1212 B5R0.1 CC(C)SCF 62a_100015361967_100000210206 [2,0,0,0,0,0|2,0,0]=4 1213 B5R0.1 CC(F)CO[13CH3] 34a_100015925927_200025704644 [2,0,0,0,0,0|2,0,0]=4 1214 B5R0.1 CCCN(C)C 2230a_100000747261_200000210301 [2,0,0,0,0,0|2,0,0]=4 1215 B5R0.1 CCCN(C)C 2230a_100102631434_100000210303 [2,0,0,0,0,0|2,0,0]=4 1216 B5R0.1 CCCN(C)C 269982a_100000747261_200000210301 [2,0,0,0,0,0|2,0,0]=4 1217 B5R0.1 CCCN(C)C 269982a_100102631434_100000210303 [2,0,0,0,0,0|2,0,0]=4 1218 B5R0.1 CCCN(C)[13CH3] 2230a_100000747261_200025704644 [2,0,0,0,0,0|2,0,0]=4 1219 B5R0.1 CCCN(C)[13CH3] 269982a_100000747261_200025704644 [2,0,0,0,0,0|2,0,0]=4 1220 B5R0.1 CCNC(C)C 2230a_100015525214_100000210206 [2,0,0,0,0,0|2,0,0]=4 1221 B5R0.1 CCNC(C)C 2230a_100138425928_100000210202 [2,0,0,0,0,0|2,0,0]=4 1222 B5R0.1 CCNC(C)C 34a_100138425928_100000210202 [2,0,0,0,0,0|2,0,0]=4 1223 B5R0.1 CCOC(C)C 34a_100000212225_100000210202 [2,0,0,0,0,0|2,0,0]=4 1224 B5R0.1 CCOC(C)C 34a_100121572206_100000210206 [2,0,0,0,0,0|2,0,0]=4 1225 B5R0.1 CCSC(C)C 62a_100000210202_100000210206 [2,0,0,0,0,0|2,0,0]=4 1226 B5R0.1 CCSC(C)C 62a_100000210206_100000210202 [2,0,0,0,0,0|2,0,0]=4 1227 B5R0.1 CN(C)CC=O 2230a_100102631434_200015260668 [2,0,0,0,0,0|1,0,1]=4 1228 B5R0.1 CN(C)CC=O 269982a_100102631434_200015260668 [2,0,0,0,0,0|1,0,1]=4 1229 B5R0.1 CN(C)CCF 2230a_100102631434_100011217306 [2,0,0,0,0,0|2,0,0]=4 1230 B5R0.1 CN(C)CCF 269982a_100102631434_100011217306 [2,0,0,0,0,0|2,0,0]=4 1231 B5R0.1 CN(C)CCO 2230a_100000210263_200000210301 [2,0,0,0,0,0|1,0,0]=3 1232 B5R0.1 CN(C)CCO 2230a_100102631434_100000211926 [2,0,0,0,0,0|1,0,0]=3 1233 B5R0.1 CN(C)CCO 269982a_100000210263_200000210301 [2,0,0,0,0,0|1,0,0]=3 1234 B5R0.1 CN(C)CCO 269982a_100102631434_100000211926 [2,0,0,0,0,0|1,0,0]=3 1235 B5R0.1 CN([13CH3])CCO 2230a_100000210263_200025704644 [2,0,0,0,0,0|1,0,0]=3 1236 B5R0.1 CN([13CH3])CCO 269982a_100000210263_200025704644 [2,0,0,0,0,0|1,0,0]=3 1237 B5R0.1 CNCC(C)C 2230a_100000210953_200000210301 [2,0,0,0,0,0|1,0,1]=4 1238 B5R0.1 CNCC(C)C 2230a_106832991635_100000210760 [2,0,0,0,0,0|1,0,1]=4 1239 B5R0.1 CNCC(C)C 270004a_106832991635_100000210432 [2,0,0,0,0,0|1,0,1]=4 1240 B5R0.1 CNCC(C)C 34a_100000210953_200000210301 [2,0,0,0,0,0|1,0,1]=4 1241 B5R0.1 CNCC(C)C 34a_100102657272_100000210624 [2,0,0,0,0,0|1,0,1]=4 1242 B5R0.1 CNCC(C)C 7a_106832991635_100000210760 [2,0,0,0,0,0|1,0,1]=4 1243 B5R0.1 COCC(C)Br 34a_100012180447_200000210301 [2,0,0,0,0,0|2,0,0]=4 1244 B5R0.1 COCC(C)C 34a_100000210257_200000210301 [2,0,0,0,0,0|1,0,0]=3 1245 B5R0.1 COCC(C)C 34a_100138415774_100000210624 [2,0,0,0,0,0|1,0,0]=3 1246 B5R0.1 COCC(C)F 34a_100015925927_200000210301 [2,0,0,0,0,0|2,0,0]=4 1247 B5R0.1 COCC(C)O 34a_100138415774_100011218427 [2,0,0,0,0,0|2,0,0]=4 1248 B5R0.1 COCN(C)C 2230a_100102631434_100000766300 [2,0,0,0,0,0|2,0,0]=4 1249 B5R0.1 COCN(C)C 269982a_100102631434_100000766300 [2,0,0,0,0,0|2,0,0]=4 1250 B5R0.1 COC[C@@H](C)Cl 34a_100016084084_200000210301 [2,0,0,0,0,0|2,0,0]=4 1251 B5R0.1 COC[C@@H](C)N 34a_100000737577_200000210301 [2,0,0,0,0,0|2,0,0]=4 1252 B5R0.1 COC[C@@H](C)O 34a_100138415774_100009817552 [2,0,0,0,0,0|2,0,0]=4 1253 B5R0.1 CSCC(C)C 62a_100000210624_200000210301 [2,0,0,0,0,0|1,1,0]=4 1254 B5R0.1 CSCC(C)C 62a_200000210301_100000210760 [2,0,0,0,0,0|1,1,0]=4 1255 B5R0.1 C[C@@H](Cl)CO[13CH3] 34a_100016084084_200025704644 [2,0,0,0,0,0|2,0,0]=4 1256 B5R0.1 C[C@@H](N)CO[13CH3] 34a_100000737577_200025704644 [2,0,0,0,0,0|2,0,0]=4 1257 B5R0.1 [13CH3]C(=O)CCO 1458a_100011216618_200025704644 [2,0,0,0,0,0|1,0,1]=4 1258 B5R0.2 CCCCNC 2230a_100000102301_200000210301 [2,0,0,0,0,0|1,0,1]=4 1259 B5R0.2 CCCCNC 2230a_106832991635_100000210211 [2,0,0,0,0,0|1,0,1]=4 1260 B5R0.2 CCCCNC 34a_100102657272_100000210210 [2,0,0,0,0,0|1,0,1]=4 1261 B5R0.2 CCCCNC 7a_106832991635_100000210211 [2,0,0,0,0,0|1,0,1]=4 1262 B5R0.2 CCCCNC 7a_106832991798_200000210301 [2,0,0,0,0,0|1,0,1]=4 1263 B5R0.2 CCCCN[13CH3] 2230a_100000102301_200025704644 [2,0,0,0,0,0|1,0,1]=4 1264 B5R0.2 CCCCN[13CH3] 7a_106832991798_200025704644 [2,0,0,0,0,0|1,0,1]=4 1265 B5R0.2 CCCCOC 34a_100000210227_200000210301 [2,0,0,0,0,0|1,0,0]=3 1266 B5R0.2 CCCCOC 34a_100138415774_100000210210 [2,0,0,0,0,0|1,0,0]=3 1267 B5R0.2 CCCCOC 7a_100000210227_200000210301 [2,0,0,0,0,0|1,0,0]=3 1268 B5R0.2 CCCCO[13CH3] 34a_100000210227_200025704644 [2,0,0,0,0,0|1,0,0]=3 1269 B5R0.2 CCCCO[13CH3] 7a_100000210227_200025704644 [2,0,0,0,0,0|1,0,0]=3 1270 B5R0.2 CCCCSC 62a_100000210211_200000210301 [2,0,0,0,0,0|1,1,0]=4 1271 B5R0.2 CCCCSC 62a_200000210301_100000210210 [2,0,0,0,0,0|1,1,0]=4 1272 B5R0.2 CCCCS[13CH3] 62a_100000210211_200025704644 [2,0,0,0,0,0|1,1,0]=4 1273 B5R0.2 CCCCS[13CH3] 62a_200025704644_100000210210 [2,0,0,0,0,0|1,1,0]=4 1274 B5R0.2 CCCOCC 34a_100000210258_100000210202 [2,0,0,0,0,0|2,0,0]=4 1275 B5R0.2 CCCOCC 34a_100121572206_100000210303 [2,0,0,0,0,0|2,0,0]=4 1276 B5R0.2 CCCOCF 34a_100000210258_100015361967 [2,0,0,0,0,0|2,0,0]=4 1277 B5R0.2 CCNCC=O 2230a_100015525214_200015260668 [2,0,0,0,0,0|2,0,0]=4 1278 B5R0.2 CCNCOC 2230a_100015525214_100000766300 [2,0,0,0,0,0|2,0,0]=4 1279 B5R0.2 CCOCC=O 34a_100121572206_200009817547 [2,0,0,0,0,0|2,0,0]=4 1280 B5R0.2 CCSCC=O 62a_100000210202_200015260668 [2,0,0,0,0,0|2,0,0]=4 1281 B5R0.2 CCSCC=O 62a_200015260668_100000210202 [2,0,0,0,0,0|2,0,0]=4 1282 B5R0.2 CCSCOC 62a_100000210202_100000766300 [2,0,0,0,0,0|2,0,0]=4 1283 B5R0.2 CCSCOC 62a_100000766300_100000210202 [2,0,0,0,0,0|2,0,0]=4 1284 B5R0.2 CNCCOC 2230a_100000209980_200000210301 [2,0,0,0,0,0|2,0,0]=4 1285 B5R0.2 CNCCOC 2230a_106832991635_100011201679 [2,0,0,0,0,0|2,0,0]=4 1286 B5R0.2 CNCCOC 34a_100102657272_100011201679 [2,0,0,0,0,0|2,0,0]=4 1287 B5R0.2 CNCCOC 7a_106832991635_100000233755 [2,0,0,0,0,0|2,0,0]=4 1288 B5R0.2 COCCCBr 34a_100011217188_200000210301 [2,0,0,0,0,0|2,0,0]=4 1289 B5R0.2 COCCCCl 34a_100000230001_200000210301 [2,0,0,0,0,0|2,0,0]=4 1290 B5R0.2 COCCCF 34a_100000759539_200000210301 [2,0,0,0,0,0|2,0,0]=4 1291 B5R0.2 COCCCF 34a_100138415774_100011934791 [2,0,0,0,0,0|2,0,0]=4 1292 B5R0.2 COCCCN 34a_100000182051_200000210301 [2,0,0,0,0,0|2,0,0]=4 1293 B5R0.2 COCCCO 34a_100138415774_100000230001 [2,0,0,0,0,0|2,0,0]=4 1294 B5R0.2 COCCN[13CH3] 2230a_100000209980_200025704644 [2,0,0,0,0,0|2,0,0]=4 1295 B5R0.2 COCCOC 34a_100000210237_200000210301 [2,0,0,0,0,0|2,0,0]=4 1296 B5R0.2 COCCOC 34a_100138415774_100011201679 [2,0,0,0,0,0|2,0,0]=4 1297 B5R0.2 COCCON 34a_100000700252_200000210301 [2,0,0,0,0,0|1,0,1]=4 1298 B5R0.2 COCCO[13CH3] 34a_100000210237_200025704644 [2,0,0,0,0,0|2,0,0]=4 1299 B5R0.2 COCCSC 34a_100000230434_200000210301 [2,0,0,0,0,0|2,0,0]=4 1300 B5R0.2 COCCSC 34a_100138415774_100000212216 [2,0,0,0,0,0|2,0,0]=4 1301 B5R0.2 COCCSC 62a_100000233755_200000210301 [2,0,0,0,0,0|2,0,0]=4 1302 B5R0.2 COCCSC 62a_200000210301_100000233755 [2,0,0,0,0,0|2,0,0]=4 1303 B5R0.2 COCCSC 7a_100000230434_200000210301 [2,0,0,0,0,0|2,0,0]=4 1304 B5R0.2 COCCS[13CH3] 62a_100000233755_200025704644 [2,0,0,0,0,0|2,0,0]=4 1305 B5R0.2 COCCS[13CH3] 62a_200025704644_100000233755 [2,0,0,0,0,0|2,0,0]=4 1306 B5R0.2 CSCCO[13CH3] 34a_100000230434_200025704644 [2,0,0,0,0,0|2,0,0]=4 1307 B5R0.2 CSCCO[13CH3] 7a_100000230434_200025704644 [2,0,0,0,0,0|2,0,0]=4 1308 B5R0.2 [13CH3]OCCCBr 34a_100011217188_200025704644 [2,0,0,0,0,0|2,0,0]=4 1309 B5R0.2 [13CH3]OCCCCl 34a_100000230001_200025704644 [2,0,0,0,0,0|2,0,0]=4 1310 B5R0.2 [13CH3]OCCCF 34a_100000759539_200025704644 [2,0,0,0,0,0|2,0,0]=4 1311 B5R0.2 [13CH3]OCCCN 34a_100000182051_200025704644 [2,0,0,0,0,0|2,0,0]=4 1312 B5R0.2 [13CH3]OCCON 34a_100000700252_200025704644 [2,0,0,0,0,0|1,0,1]=4 1313 B7R0.2 CC(C)CC(C)N[13CH3] 2230a_100000692259_200025704644 [1,1,0,0,0,0|1,0,1]=4 1314 B7R0.2 CC(C)CC(C)O[13CH3] 34a_100000211805_200025704644 [1,1,0,0,0,0|1,0,0]=3 1315 B7R0.2 CC(C)CC(C)O[13CH3] 7a_100000211805_200025704644 [1,1,0,0,0,0|1,0,0]=3 1316 B7R0.2 CC(C)CC(C)S[13CH3] 62a_100000731052_200025704644 [1,1,0,0,0,0|1,1,0]=4 1317 B7R0.2 CC(C)CC(C)S[13CH3] 62a_200025704644_100000731052 [1,1,0,0,0,0|1,1,0]=4 1318 B7R0.2 CNC(C)CC(C)C 2230a_100000692259_200000210301 [1,1,0,0,0,0|1,0,1]=4 1319 B7R0.2 CNC(C)CC(C)C 2230a_106832991635_100000731052 [1,1,0,0,0,0|1,0,1]=4 1320 B7R0.2 CNC(C)CC(C)C 34a_100102657272_100000731052 [1,1,0,0,0,0|1,0,1]=4 1321 B7R0.2 CNC(C)CC(C)C 7a_106832991635_100000731052 [1,1,0,0,0,0|1,0,1]=4 1322 B7R0.2 COC(C)CC(C)C 34a_100000211805_200000210301 [1,1,0,0,0,0|1,0,0]=3 1323 B7R0.2 COC(C)CC(C)C 34a_100138415774_100000731052 [1,1,0,0,0,0|1,0,0]=3 1324 B7R0.2 COC(C)CC(C)C 7a_100000211805_200000210301 [1,1,0,0,0,0|1,0,0]=3 1325 B7R0.2 COC(C)SC(C)C 62a_100000210206_100009879195 [1,1,0,0,0,0|2,0,0]=4 1326 B7R0.2 COC(C)SC(C)C 62a_100009879195_100000210206 [1,1,0,0,0,0|2,0,0]=4 1327 B7R0.2 CSC(C)CC(C)C 62a_100000731052_200000210301 [1,1,0,0,0,0|1,1,0]=4 1328 B7R0.2 CSC(C)CC(C)C 62a_200000210301_100000731052 [1,1,0,0,0,0|1,1,0]=4 1329 B7R0.3 C=CCCC(C)NC 270004a_106832991635_100000762624 [1,1,0,0,0,0|2,0,0]=4 1330 B7R0.3 C=CCCC(C)OC 34a_100000765329_200000210301 [1,1,0,0,0,0|2,0,0]=4 1331 B7R0.3 C=CCCC(C)OC 7a_100000765329_200000210301 [1,1,0,0,0,0|2,0,0]=4 1332 B7R0.3 C=CCCC(C)O[13CH3] 34a_100000765329_200025704644 [1,1,0,0,0,0|2,0,0]=4 1333 B7R0.3 C=CCCC(C)O[13CH3] 7a_100000765329_200025704644 [1,1,0,0,0,0|2,0,0]=4 1334 B7R0.3 CC(CCCCl)O[13CH3] 34a_200000718107_200025704644 [1,1,0,0,0,0|2,0,0]=4 1335 B7R0.3 CC(CCCCl)O[13CH3] 7a_200000718107_200025704644 [1,1,0,0,0,0|2,0,0]=4 1336 B7R0.3 CC(CF)OCC=O 34a_100016041109_200009817547 [1,1,0,0,0,0|2,0,0]=4 1337 B7R0.3 CC(CF)OCC=O 7a_100016041109_200015260668 [1,1,0,0,0,0|2,0,0]=4 1338 B7R0.3 CC(CN)COCF 34a_100000744482_100015361967 [1,1,0,0,0,0|2,0,0]=4 1339 B7R0.3 CC(CN)OCC=O 34a_100000210904_200009817547 [1,1,0,0,0,0|2,0,0]=4 1340 B7R0.3 CC(CO)CCN[13CH3] 2230a_106354213184_200025704644 [1,1,0,0,0,0|1,0,1]=4 1341 B7R0.3 CC(CO)CCN[13CH3] 34a_106354213184_200025704644 [1,1,0,0,0,0|1,0,1]=4 1342 B7R0.3 CC(CO)SCC=O 62a_100012180447_200015260668 [1,1,0,0,0,0|2,0,0]=4 1343 B7R0.3 CCC(C)CCNC 2230a_100020591266_200000210301 [1,1,0,0,0,0|1,0,1]=4 1344 B7R0.3 CCC(C)CCN[13CH3] 2230a_100020591266_200025704644 [1,1,0,0,0,0|1,0,1]=4 1345 B7R0.3 CCC(C)CCOC 7a_100011215188_200000210301 [1,1,0,0,0,0|1,0,0]=3 1346 B7R0.3 CCC(C)CCO[13CH3] 7a_100011215188_200025704644 [1,1,0,0,0,0|1,0,0]=3 1347 B7R0.3 CCC(C)NCC=O 2230a_100000209981_200015260668 [1,1,0,0,0,0|2,0,0]=4 1348 B7R0.3 CCC(C)NCOC 2230a_100000209981_100000766300 [1,1,0,0,0,0|2,0,0]=4 1349 B7R0.3 CCC(C)OCC=O 7a_100000210228_200015260668 [1,1,0,0,0,0|2,0,0]=4 1350 B7R0.3 CCC(C)SCC=O 62a_100000758301_200015260668 [1,1,0,0,0,0|2,0,0]=4 1351 B7R0.3 CCC(C)SCC=O 62a_200015260668_100000758301 [1,1,0,0,0,0|2,0,0]=4 1352 B7R0.3 CCC(C)SCOC 62a_100000758301_100000766300 [1,1,0,0,0,0|2,0,0]=4 1353 B7R0.3 CCC(C)SCOC 62a_100000766300_100000758301 [1,1,0,0,0,0|2,0,0]=4 1354 B7R0.3 CCCCC(C)NC 2230a_100000126638_200000210301 [1,1,0,0,0,0|2,0,0]=4 1355 B7R0.3 CCCCC(C)NC 2230a_106832991635_200011215066 [1,1,0,0,0,0|2,0,0]=4 1356 B7R0.3 CCCCC(C)NC 270004a_106832991635_100000210087 [1,1,0,0,0,0|2,0,0]=4 1357 B7R0.3 CCCCC(C)NC 34a_100102657272_200011215066 [1,1,0,0,0,0|2,0,0]=4 1358 B7R0.3 CCCCC(C)NC 7a_106832991635_200011215066 [1,1,0,0,0,0|2,0,0]=4 1359 B7R0.3 CCCCC(C)N[13CH3] 2230a_100000126638_200025704644 [1,1,0,0,0,0|2,0,0]=4 1360 B7R0.3 CCCCC(C)OC 34a_100000687866_200000210301 [1,1,0,0,0,0|2,0,0]=4 1361 B7R0.3 CCCCC(C)OC 34a_100138415774_200011215066 [1,1,0,0,0,0|2,0,0]=4 1362 B7R0.3 CCCCC(C)OC 7a_100000687866_200000210301 [1,1,0,0,0,0|2,0,0]=4 1363 B7R0.3 CCCCC(C)O[13CH3] 34a_100000687866_200025704644 [1,1,0,0,0,0|2,0,0]=4 1364 B7R0.3 CCCCC(C)O[13CH3] 7a_100000687866_200025704644 [1,1,0,0,0,0|2,0,0]=4 1365 B7R0.3 CCCCC(C)SC 62a_200000210301_200011215066 [1,1,0,0,0,0|2,0,0]=4 1366 B7R0.3 CCCCC(C)SC 62a_200011215066_200000210301 [1,1,0,0,0,0|2,0,0]=4 1367 B7R0.3 CCCCC(C)S[13CH3] 62a_200011215066_200025704644 [1,1,0,0,0,0|2,0,0]=4 1368 B7R0.3 CCCCC(C)S[13CH3] 62a_200025704644_200011215066 [1,1,0,0,0,0|2,0,0]=4 1369 B7R0.3 CCN(C)CCOC 2230a_100000225621_100011201679 [1,1,0,0,0,0|2,0,0]=4 1370 B7R0.3 CCN(C)CCOC 2230a_100000731262_200000210301 [1,1,0,0,0,0|2,0,0]=4 1371 B7R0.3 CCN(C)CCOC 2230a_100000743101_100000210202 [1,1,0,0,0,0|2,0,0]=4 1372 B7R0.3 CCN(C)CCOC 269982a_100000225621_100000233755 [1,1,0,0,0,0|2,0,0]=4 1373 B7R0.3 CCN(C)CCOC 269982a_100000731262_200000210301 [1,1,0,0,0,0|2,0,0]=4 1374 B7R0.3 CCN(C)CCOC 269982a_100000743101_100000204670 [1,1,0,0,0,0|2,0,0]=4 1375 B7R0.3 CCN([13CH3])CCOC 2230a_100000731262_200025704644 [1,1,0,0,0,0|2,0,0]=4 1376 B7R0.3 CCN([13CH3])CCOC 269982a_100000731262_200025704644 [1,1,0,0,0,0|2,0,0]=4 1377 B7R0.3 CCOCC(C)CC 34a_100121572206_100000748023 [1,1,0,0,0,0|2,0,0]=4 1378 B7R0.3 CCOCC(C)CN 34a_100000744482_100000210202 [1,1,0,0,0,0|2,0,0]=4 1379 B7R0.3 CCOCC(C)OC 34a_100000690652_100000210202 [1,1,0,0,0,0|2,0,0]=4 1380 B7R0.3 CCOCC(C)OC 34a_100000718985_200000210301 [1,1,0,0,0,0|2,0,0]=4 1381 B7R0.3 CCOCC(C)OC 7a_100000718985_200000210301 [1,1,0,0,0,0|2,0,0]=4 1382 B7R0.3 CCOCC(C)O[13CH3] 34a_100000718985_200025704644 [1,1,0,0,0,0|2,0,0]=4 1383 B7R0.3 CCOCC(C)O[13CH3] 7a_100000718985_200025704644 [1,1,0,0,0,0|2,0,0]=4 1384 B7R0.3 CCOC[C@@H](C)CC 34a_100121572206_100009816398 [1,1,0,0,0,0|2,0,0]=4 1385 B7R0.3 CCOC[C@@H](C)CC 7a_100009816381_100000210202 [1,1,0,0,0,0|2,0,0]=4 1386 B7R0.3 CCOC[C@@H](C)CO 34a_100121572206_100000059175 [1,1,0,0,0,0|2,0,0]=4 1387 B7R0.3 CC[C@H](C)COCF 7a_100009816381_100015361967 [1,1,0,0,0,0|2,0,0]=4 1388 B7R0.3 CNC(C)CCOC 270004a_106832991635_100000742357 [1,1,0,0,0,0|1,0,0]=3 1389 B7R0.3 CNC(C)CCSC 270004a_106832991635_100011217047 [1,1,0,0,0,0|1,1,0]=4 1390 B7R0.3 CNCCC(C)CO 2230a_106354213184_200000210301 [1,1,0,0,0,0|1,0,1]=4 1391 B7R0.3 CNCCC(C)CO 34a_106354213184_200000210301 [1,1,0,0,0,0|1,0,1]=4 1392 B7R0.3 COC(C)CCCCl 34a_200000718107_200000210301 [1,1,0,0,0,0|2,0,0]=4 1393 B7R0.3 COC(C)CCCCl 7a_200000718107_200000210301 [1,1,0,0,0,0|2,0,0]=4 1394 B7R0.3 COC(C)CCO[13CH3] 7a_100000764861_200025704644 [1,1,0,0,0,0|1,0,0]=3 1395 B7R0.3 COC(C)COCF 34a_100000690652_100015361967 [1,1,0,0,0,0|2,0,0]=4 1396 B7R0.3 COC(C)SCC=O 62a_100009879195_200015260668 [1,1,0,0,0,0|2,0,0]=4 1397 B7R0.3 COC(C)SCC=O 62a_200015260668_100009879195 [1,1,0,0,0,0|2,0,0]=4 1398 B7R0.3 COCCC(C)OC 7a_100000764861_200000210301 [1,1,0,0,0,0|1,0,0]=3 1399 B7R0.3 COCCN(C)CF 269982a_100000743101_100015361967 [1,1,0,0,0,0|2,0,0]=4 1400 B7R0.3 COCN[C@H](C)CO 2230a_100000737577_100000766300 [1,1,0,0,0,0|2,0,0]=4 1401 B7R0.3 COCSC(C)CO 62a_100012180447_100000766300 [1,1,0,0,0,0|2,0,0]=4 1402 B7R0.3 COCSC(C)OC 62a_100000766300_100009879195 [1,1,0,0,0,0|2,0,0]=4 1403 B7R0.3 COCSC(C)OC 62a_100009879195_100000766300 [1,1,0,0,0,0|2,0,0]=4 1404 B7R0.3 COCS[C@H](C)CO 62a_100000766300_100016084084 [1,1,0,0,0,0|2,0,0]=4 1405 B7R0.3 COCS[C@H](C)CO 62a_100016084084_100000766300 [1,1,0,0,0,0|2,0,0]=4 1406 B7R0.3 C[C@H](CO)NCC=O 2230a_100000737577_200015260668 [1,1,0,0,0,0|2,0,0]=4 1407 B7R0.3 C[C@H](CO)SCC=O 62a_100016084084_200015260668 [1,1,0,0,0,0|2,0,0]=4 1408 B7R0.3 C[C@H](CO)SCC=O 62a_200015260668_100016084084 [1,1,0,0,0,0|2,0,0]=4 1409 B7R0.5 CC(C)C(C)OCF 7a_100000748068_100015361967 [1,1,0,0,0,0|2,0,0]=4 1410 B7R0.5 CC(C)C(O)CN[13CH3] 2230a_100000759067_200025704644 [1,1,0,0,0,0|1,0,1]=4 1411 B7R0.5 CC(C)C(O)CN[13CH3] 34a_100000759067_200025704644 [1,1,0,0,0,0|1,0,1]=4 1412 B7R0.5 CC(C)N(C)CC=O 269982a_200000211004_200015260668 [1,1,0,0,0,0|2,0,0]=4 1413 B7R0.5 CC(C)[C@@H](N)CO[13CH3] 34a_100011830312_200025704644 [1,1,0,0,0,0|1,0,0]=3 1414 B7R0.5 CCOC(C)C(C)C 7a_100000748068_100000210202 [1,1,0,0,0,0|2,0,0]=4 1415 B7R0.5 CNCC(O)C(C)C 2230a_100000759067_200000210301 [1,1,0,0,0,0|1,0,1]=4 1416 B7R0.5 CNCC(O)C(C)C 34a_100000759067_200000210301 [1,1,0,0,0,0|1,0,1]=4 1417 B7R0.5 COCC(=O)C(C)C 1458a_100000210968_100000210206 [1,1,0,0,0,0|1,0,1]=4 1418 B7R0.5 COCC(=O)C(C)C 34a_100138415774_100000753385 [1,1,0,0,0,0|1,0,1]=4 1419 B7R0.5 COCC(C)N(C)C 2230a_100102631434_100000765312 [1,1,0,0,0,0|2,0,0]=4 1420 B7R0.5 COCC(C)N(C)C 269982a_100102631434_100000765312 [1,1,0,0,0,0|2,0,0]=4 1421 B7R0.5 COCC(C)N(C)C 270004a_100102631434_100000749346 [1,1,0,0,0,0|2,0,0]=4 1422 B7R0.5 COCN(C)C(C)C 269982a_200000211004_100000766300 [1,1,0,0,0,0|2,0,0]=4 1423 B7R0.5 COC[C@H](N)C(C)C 34a_100011830312_200000210301 [1,1,0,0,0,0|1,0,0]=3 1424 B7R0.6 CC(=O)CCC(C)C 1458a_100000070787_100000210312 [1,1,0,0,0,0|1,0,0]=3 1425 B7R0.6 CC(=O)CCC(C)C 1458a_100000181311_200000210301 [1,1,0,0,0,0|1,0,0]=3 1426 B7R0.6 CC(=O)CCC(C)O 1458a_100000070787_100012276601 [1,1,0,0,0,0|2,0,0]=4 1427 B7R0.6 CC(=O)CCN(C)C 269982a_100102631434_100000053229 [1,1,0,0,0,0|2,0,0]=4 1428 B7R0.6 CC(=O)CC[S+](C)C 1458a_100009452791_200000210301 [1,1,0,0,0,0|2,0,0]=4 1429 B7R0.6 CC(=O)COC(C)C 1458a_100000745533_200000210301 [1,1,0,0,0,0|2,0,0]=4 1430 B7R0.6 CC(=O)COC(C)C 34a_100000211253_100000210206 [1,1,0,0,0,0|2,0,0]=4 1431 B7R0.6 CC(=O)CSC(C)C 1458a_100000241585_200000210301 [1,1,0,0,0,0|2,0,0]=4 1432 B7R0.6 CC(=O)NCC(C)C 11a_100000210953_100015343762 [1,1,0,0,0,0|2,0,0]=4 1433 B7R0.6 CC(=O)NCC(C)C 1626a_100000210953_100015343762 [1,1,0,0,0,0|2,0,0]=4 1434 B7R0.6 CC(=O)NCC(C)C 240690a_100000210953_100015343762 [1,1,0,0,0,0|2,0,0]=4 1435 B7R0.6 CC(=O)NCC(C)C 527a_100000210953_100103153847 [1,1,0,0,0,0|2,0,0]=4 1436 B7R0.6 CC(=O)OCN(C)C 269982a_100102631434_100000076356 [1,1,0,0,0,0|2,0,0]=4 1437 B7R0.6 CC(C)CCC(=O)[13CH3] 1458a_100000181311_200025704644 [1,1,0,0,0,0|1,0,0]=3 1438 B7R0.6 CC(C)CCN(C)C 2230a_100000742789_200000210301 [1,1,0,0,0,0|1,0,1]=4 1439 B7R0.6 CC(C)CCN(C)C 2230a_100102631434_100000210312 [1,1,0,0,0,0|1,0,1]=4 1440 B7R0.6 CC(C)CCN(C)C 269982a_100000742789_200000210301 [1,1,0,0,0,0|1,0,1]=4 1441 B7R0.6 CC(C)CCN(C)C 269982a_100102631434_100000210312 [1,1,0,0,0,0|1,0,1]=4 1442 B7R0.6 CC(C)CCN(C)[13CH3] 2230a_100000742789_200025704644 [1,1,0,0,0,0|1,0,1]=4 1443 B7R0.6 CC(C)CCN(C)[13CH3] 269982a_100000742789_200025704644 [1,1,0,0,0,0|1,0,1]=4 1444 B7R0.6 CC(C)COC(C)C 34a_100000210257_100000210206 [1,1,0,0,0,0|2,0,0]=4 1445 B7R0.6 CC(C)COC(C)C 34a_100000212225_100000210624 [1,1,0,0,0,0|2,0,0]=4 1446 B7R0.6 CC(C)NCC(=O)N 2230a_100000711301_100000210206 [1,1,0,0,0,0|2,0,0]=4 1447 B7R0.6 CC(C)NCC(=O)N 2230a_100138425928_100000747473 [1,1,0,0,0,0|2,0,0]=4 1448 B7R0.6 CC(C)NCC(=O)N 34a_100138425928_100000187820 [1,1,0,0,0,0|2,0,0]=4 1449 B7R0.6 CC(C)NCC(=O)O 269956a_100016091260_100000210206 [1,1,0,0,0,0|2,0,0]=4 1450 B7R0.6 CC(C)NCC(=O)[O-] 34a_100138425928_100020667443 [1,1,0,0,0,0|2,0,0]=4 1451 B7R0.6 CC(C)NC[N+](=O)[O-] 34a_100138425928_100000761209 [1,1,0,0,0,0|1,0,1]=4 1452 B7R0.6 CC(C)OCC(=O)N 34a_100000212225_100000187820 [1,1,0,0,0,0|2,0,0]=4 1453 B7R0.6 CC(C)OCC(=O)[13CH3] 1458a_100000745533_200025704644 [1,1,0,0,0,0|2,0,0]=4 1454 B7R0.6 CC(C)OCC(=O)[O-] 34a_100000212225_100020667443 [1,1,0,0,0,0|2,0,0]=4 1455 B7R0.6 CC(C)OC[N+](=O)[O-] 34a_100000212225_100000761209 [1,1,0,0,0,0|1,0,1]=4 1456 B7R0.6 CC(C)SCC(=O)N 62a_100000210206_100000747473 [1,1,0,0,0,0|2,0,0]=4 1457 B7R0.6 CC(C)SCC(=O)N 62a_100000747473_100000210206 [1,1,0,0,0,0|2,0,0]=4 1458 B7R0.6 CC(C)SCC(=O)[13CH3] 1458a_100000241585_200025704644 [1,1,0,0,0,0|2,0,0]=4 1459 B7R0.6 CC(C)SCC(=O)[O-] 62a_100000210206_100020667443 [1,1,0,0,0,0|2,0,0]=4 1460 B7R0.6 CC(C)SCC(=O)[O-] 62a_100020667443_100000210206 [1,1,0,0,0,0|2,0,0]=4 1461 B7R0.6 CC(C)SC[N+](=O)[O-] 62a_100000210206_100000761209 [1,1,0,0,0,0|1,0,1]=4 1462 B7R0.6 CN(C)CCC(=O)N 2230a_100000730477_200000210301 [1,1,0,0,0,0|2,0,0]=4 1463 B7R0.6 CN(C)CCC(=O)N 2230a_100102631434_100000744528 [1,1,0,0,0,0|2,0,0]=4 1464 B7R0.6 CN(C)CCC(=O)N 269982a_100102631434_100000744528 [1,1,0,0,0,0|2,0,0]=4 1465 B7R0.6 CN([13CH3])CCC(=O)N 2230a_100000730477_200025704644 [1,1,0,0,0,0|2,0,0]=4 1466 B7R0.6 C[S+](C)CCC(=O)[13CH3] 1458a_100009452791_200025704644 [1,1,0,0,0,0|2,0,0]=4 1467 B7R0.8 CC(C)(C)CCN[13CH3] 2230a_100000738805_200025704644 [1,1,0,0,0,0|1,0,1]=4 1468 B7R0.8 CC(C)(C)CCO[13CH3] 7a_100000765024_200025704644 [1,1,0,0,0,0|1,0,0]=3 1469 B7R0.8 CC(C)(C)CCS[13CH3] 62a_100000755188_200025704644 [1,1,0,0,0,0|1,1,0]=4 1470 B7R0.8 CC(C)(C)CCS[13CH3] 62a_200025704644_100000755188 [1,1,0,0,0,0|1,1,0]=4 1471 B7R0.8 CC(C)(C)NCC=O 2230a_100000715429_200015260668 [1,1,0,0,0,0|2,0,0]=4 1472 B7R0.8 CC(C)(C)OCC=O 34a_100015890283_200009817547 [1,1,0,0,0,0|2,0,0]=4 1473 B7R0.8 CC(C)(C)OCC=O 7a_100015890283_200015260668 [1,1,0,0,0,0|2,0,0]=4 1474 B7R0.8 CC(C)(C)SCC=O 62a_100000211941_200015260668 [1,1,0,0,0,0|2,0,0]=4 1475 B7R0.8 CC(C)(C)SCC=O 62a_200015260668_100000211941 [1,1,0,0,0,0|2,0,0]=4 1476 B7R0.8 CC(C)(F)CCN[13CH3] 2230a_100016253952_200025704644 [1,1,0,0,0,0|1,0,1]=4 1477 B7R0.8 CC(C)(F)COCF 34a_100000716592_100015361967 [1,1,0,0,0,0|2,0,0]=4 1478 B7R0.8 CC(C)(O)CCS[13CH3] 62a_100000702414_200025704644 [1,1,0,0,0,0|1,1,0]=4 1479 B7R0.8 CC(C)(O)CCS[13CH3] 62a_200025704644_100000702414 [1,1,0,0,0,0|1,1,0]=4 1480 B7R0.8 CCOCC(C)(C)C 34a_100121572206_100011219605 [1,1,0,0,0,0|2,0,0]=4 1481 B7R0.8 CCOCC(C)(C)F 34a_100000716592_100000210202 [1,1,0,0,0,0|2,0,0]=4 1482 B7R0.8 CCOCC(C)(C)F 34a_100121572206_100011997219 [1,1,0,0,0,0|2,0,0]=4 1483 B7R0.8 CCOCC(C)(C)O 34a_100121572206_100000764493 [1,1,0,0,0,0|2,0,0]=4 1484 B7R0.8 CNCCC(C)(C)C 2230a_100000738805_200000210301 [1,1,0,0,0,0|1,0,1]=4 1485 B7R0.8 CNCCC(C)(C)C 2230a_106832991635_100000755188 [1,1,0,0,0,0|1,0,1]=4 1486 B7R0.8 CNCCC(C)(C)C 34a_100102657272_100000755188 [1,1,0,0,0,0|1,0,1]=4 1487 B7R0.8 CNCCC(C)(C)C 7a_106832991635_100000755188 [1,1,0,0,0,0|1,0,1]=4 1488 B7R0.8 CNCCC(C)(C)F 2230a_100016253952_200000210301 [1,1,0,0,0,0|1,0,1]=4 1489 B7R0.8 CNCCC(C)(C)O 2230a_106832991635_100000702414 [1,1,0,0,0,0|1,0,1]=4 1490 B7R0.8 CNCCC(C)(C)O 34a_100102657272_100000702414 [1,1,0,0,0,0|1,0,1]=4 1491 B7R0.8 CNCCC(C)(C)O 7a_106832991635_100000702414 [1,1,0,0,0,0|1,0,1]=4 1492 B7R0.8 COCCC(C)(C)C 34a_100138415774_100000755188 [1,1,0,0,0,0|1,0,0]=3 1493 B7R0.8 COCCC(C)(C)C 7a_100000765024_200000210301 [1,1,0,0,0,0|1,0,0]=3 1494 B7R0.8 COCCC(C)(C)O 34a_100138415774_100000702414 [1,1,0,0,0,0|1,0,0]=3 1495 B7R0.8 COCC[N+](C)(C)C 34a_100138415774_100000085578 [1,1,0,0,0,0|2,0,0]=4 1496 B7R0.8 COCC[N+](C)(C)C 7a_200020618287_200000210301 [1,1,0,0,0,0|2,0,0]=4 1497 B7R0.8 COCC[Si](C)(C)C 34a_100138415774_200000733723 [1,1,0,0,0,0|1,1,0]=4 1498 B7R0.8 COCC[Si](C)(C)C 7a_100000039746_200000210301 [1,1,0,0,0,0|1,1,0]=4 1499 B7R0.8 COCNC(C)(C)C 2230a_100000715429_100000766300 [1,1,0,0,0,0|2,0,0]=4 1500 B7R0.8 COCSC(C)(C)C 62a_100000211941_100000766300 [1,1,0,0,0,0|2,0,0]=4 1501 B7R0.8 COCSC(C)(C)C 62a_100000766300_100000211941 [1,1,0,0,0,0|2,0,0]=4 1502 B7R0.8 CSCCC(C)(C)C 62a_100000755188_200000210301 [1,1,0,0,0,0|1,1,0]=4 1503 B7R0.8 CSCCC(C)(C)C 62a_200000210301_100000755188 [1,1,0,0,0,0|1,1,0]=4 1504 B7R0.8 CSCCC(C)(C)O 62a_100000702414_200000210301 [1,1,0,0,0,0|1,1,0]=4 1505 B7R0.8 CSCCC(C)(C)O 62a_200000210301_100000702414 [1,1,0,0,0,0|1,1,0]=4 1506 B7R0.8 C[N+](C)(C)CCO[13CH3] 7a_200020618287_200025704644 [1,1,0,0,0,0|2,0,0]=4 1507 B7R0.8 C[Si](C)(C)CCO[13CH3] 7a_100000039746_200025704644 [1,1,0,0,0,0|1,1,0]=4 1508 B7R0.1 C#CCOCCCC 34a_100000210227_100000184674 [1,1,0,0,0,0|2,0,0]=4 1509 B7R0.1 C#CCOCCCC 34a_100000210247_100000210210 [1,1,0,0,0,0|2,0,0]=4 1510 B7R0.1 C#CCOCCCC 7a_100000210227_100000038162 [1,1,0,0,0,0|2,0,0]=4 1511 B7R0.1 C=CCOCCCC 34a_100000210227_100015514636 [1,1,0,0,0,0|2,0,0]=4 1512 B7R0.1 C=CCOCCCC 34a_200000210373_100000210210 [1,1,0,0,0,0|2,0,0]=4 1513 B7R0.1 C=CCOCCCC 7a_100000210227_100015514636 [1,1,0,0,0,0|2,0,0]=4 1514 B7R0.1 C=COCCCNC 2230a_100000210767_200000210301 [1,1,0,0,0,0|2,0,0]=4 1515 B7R0.1 C=COCCCNC 34a_100000210767_200000210301 [1,1,0,0,0,0|2,0,0]=4 1516 B7R0.1 C=COCCCN[13CH3] 2230a_100000210767_200025704644 [1,1,0,0,0,0|2,0,0]=4 1517 B7R0.1 C=COCCCN[13CH3] 34a_100000210767_200025704644 [1,1,0,0,0,0|2,0,0]=4 1518 B7R0.1 C=COCCNCC 2230a_100015525214_100000039644 [1,1,0,0,0,0|2,0,0]=4 1519 B7R0.1 C=COCCOCC 34a_100000033082_100000210202 [1,1,0,0,0,0|2,0,0]=4 1520 B7R0.1 C=COCCOCC 34a_100121572206_100000039644 [1,1,0,0,0,0|2,0,0]=4 1521 B7R0.1 C=COCCSCC 62a_100000039644_100000210202 [1,1,0,0,0,0|2,0,0]=4 1522 B7R0.1 C=COCCSCC 62a_100000210202_100000039644 [1,1,0,0,0,0|2,0,0]=4 1523 B7R0.1 CC=NNCCCC 4a_100025702795_200000210099 [1,1,0,0,0,0|2,0,0]=4 1524 B7R0.1 CCCCCOCC 34a_100000210253_100000210202 [1,1,0,0,0,0|2,0,0]=4 1525 B7R0.1 CCCCCOCC 34a_100121572206_100000718602 [1,1,0,0,0,0|2,0,0]=4 1526 B7R0.1 CCCCCOCC 7a_100000210253_100000210202 [1,1,0,0,0,0|2,0,0]=4 1527 B7R0.1 CCCCCOCF 34a_100000210253_100015361967 [1,1,0,0,0,0|2,0,0]=4 1528 B7R0.1 CCCCCOCF 7a_100000210253_100015361967 [1,1,0,0,0,0|2,0,0]=4 1529 B7R0.1 CCCCNCC=O 2230a_100000102301_200015260668 [1,1,0,0,0,0|2,0,0]=4 1530 B7R0.1 CCCCNCC=O 7a_106832991798_200015260668 [1,1,0,0,0,0|2,0,0]=4 1531 B7R0.1 CCCCOCC#N 7a_100000210227_100011215382 [1,1,0,0,0,0|2,0,0]=4 1532 B7R0.1 CCCCOCC=O 34a_100000210227_200009817547 [1,1,0,0,0,0|1,0,0]=3 1533 B7R0.1 CCCCOCC=O 7a_100000210227_200015260668 [1,1,0,0,0,0|1,0,0]=3 1534 B7R0.1 CCCCOCCBr 34a_100000211926_100000210210 [1,1,0,0,0,0|2,0,0]=4 1535 B7R0.1 CCCCOCCC 34a_100000210227_100000210303 [1,1,0,0,0,0|2,0,0]=4 1536 B7R0.1 CCCCOCCC 34a_100000210258_100000210210 [1,1,0,0,0,0|2,0,0]=4 1537 B7R0.1 CCCCOCCC 7a_100000210227_100000210303 [1,1,0,0,0,0|2,0,0]=4 1538 B7R0.1 CCCCOCCF 34a_100000210227_100011217306 [1,1,0,0,0,0|2,0,0]=4 1539 B7R0.1 CCCCOCCF 7a_100000210227_100011217306 [1,1,0,0,0,0|2,0,0]=4 1540 B7R0.1 CCCCOCCN 34a_100000210304_100000210210 [1,1,0,0,0,0|2,0,0]=4 1541 B7R0.1 CCCCOCCO 34a_100000210227_100000211926 [1,1,0,0,0,0|1,0,1]=4 1542 B7R0.1 CCCCOCCO 7a_100000210227_100000211926 [1,1,0,0,0,0|1,0,1]=4 1543 B7R0.1 CCCCOCNC 2230a_106832991635_100011995733 [1,1,0,0,0,0|1,0,1]=4 1544 B7R0.1 CCCCOCNC 34a_100102657272_100011995733 [1,1,0,0,0,0|1,0,1]=4 1545 B7R0.1 CCCCOCOC 34a_100138415774_100011995733 [1,1,0,0,0,0|1,0,1]=4 1546 B7R0.1 CCCCOCSC 34a_100000210227_100011218213 [1,1,0,0,0,0|1,1,0]=4 1547 B7R0.1 CCCCOCSC 62a_100011995733_200000210301 [1,1,0,0,0,0|1,1,0]=4 1548 B7R0.1 CCCCOCSC 62a_200000210301_100011995733 [1,1,0,0,0,0|1,1,0]=4 1549 B7R0.1 CCCCOCS[13CH3] 62a_100011995733_200025704644 [1,1,0,0,0,0|1,1,0]=4 1550 B7R0.1 CCCCOCS[13CH3] 62a_200025704644_100011995733 [1,1,0,0,0,0|1,1,0]=4 1551 B7R0.1 CCCCSCC=O 62a_100000210211_200015260668 [1,1,0,0,0,0|1,1,0]=4 1552 B7R0.1 CCCCSCC=O 62a_200015260668_100000210210 [1,1,0,0,0,0|1,1,0]=4 1553 B7R0.1 CCCSCOCC 62a_100000210303_100000739092 [1,1,0,0,0,0|2,0,0]=4 1554 B7R0.1 CCCSCOCC 62a_100000739092_100000210303 [1,1,0,0,0,0|2,0,0]=4 1555 B7R0.1 CCNCCCC=O 2230a_100015525214_200011292268 [1,1,0,0,0,0|2,0,0]=4 1556 B7R0.1 CCNCCOCC 2230a_100015525214_100011215890 [1,1,0,0,0,0|2,0,0]=4 1557 B7R0.1 CCNCCOCC 2230a_102516460346_100000210202 [1,1,0,0,0,0|2,0,0]=4 1558 B7R0.1 CCNCCOCC 34a_102516460346_100000210202 [1,1,0,0,0,0|2,0,0]=4 1559 B7R0.1 CCOCCCCBr 34a_100011216708_100000210202 [1,1,0,0,0,0|2,0,0]=4 1560 B7R0.1 CCOCCCCCl 34a_100000210776_100000210202 [1,1,0,0,0,0|2,0,0]=4 1561 B7R0.1 CCOCCCCCl 7a_100000210776_100000210202 [1,1,0,0,0,0|2,0,0]=4 1562 B7R0.1 CCOCCCCF 34a_100011995726_100000210202 [1,1,0,0,0,0|2,0,0]=4 1563 B7R0.1 CCOCCCCF 34a_100121572206_100000729493 [1,1,0,0,0,0|2,0,0]=4 1564 B7R0.1 CCOCCCCF 7a_100011995726_100000210202 [1,1,0,0,0,0|2,0,0]=4 1565 B7R0.1 CCOCCCCI 34a_200012148704_100000210202 [1,1,0,0,0,0|2,0,0]=4 1566 B7R0.1 CCOCCCCN 34a_100000750430_100000210202 [1,1,0,0,0,0|2,0,0]=4 1567 B7R0.1 CCOCCCCO 34a_100121572206_100011216708 [1,1,0,0,0,0|2,0,0]=4 1568 B7R0.1 CCOCCCNC 2230a_100000210961_200000210301 [1,1,0,0,0,0|2,0,0]=4 1569 B7R0.1 CCOCCCNC 2230a_106832991635_100012232248 [1,1,0,0,0,0|2,0,0]=4 1570 B7R0.1 CCOCCCNC 34a_100000210961_200000210301 [1,1,0,0,0,0|2,0,0]=4 1571 B7R0.1 CCOCCCNC 34a_100000213112_100000210202 [1,1,0,0,0,0|2,0,0]=4 1572 B7R0.1 CCOCCCNC 34a_100102657272_100012232248 [1,1,0,0,0,0|2,0,0]=4 1573 B7R0.1 CCOCCCNC 7a_106832991635_100012232248 [1,1,0,0,0,0|2,0,0]=4 1574 B7R0.1 CCOCCCN[13CH3] 2230a_100000210961_200025704644 [1,1,0,0,0,0|2,0,0]=4 1575 B7R0.1 CCOCCCN[13CH3] 34a_100000210961_200025704644 [1,1,0,0,0,0|2,0,0]=4 1576 B7R0.1 CCOCCCOC 34a_100000740835_100000210202 [1,1,0,0,0,0|2,0,0]=4 1577 B7R0.1 CCOCCCOC 34a_100000757476_200000210301 [1,1,0,0,0,0|2,0,0]=4 1578 B7R0.1 CCOCCCOC 34a_100121572206_100000740836 [1,1,0,0,0,0|2,0,0]=4 1579 B7R0.1 CCOCCCOC 34a_100138415774_100012232248 [1,1,0,0,0,0|2,0,0]=4 1580 B7R0.1 CCOCCCOC 7a_100000757476_200000210301 [1,1,0,0,0,0|2,0,0]=4 1581 B7R0.1 CCOCCCO[13CH3] 34a_100000757476_200025704644 [1,1,0,0,0,0|2,0,0]=4 1582 B7R0.1 CCOCCCO[13CH3] 7a_100000757476_200025704644 [1,1,0,0,0,0|2,0,0]=4 1583 B7R0.1 CCOCCCSC 34a_100000690336_100000210202 [1,1,0,0,0,0|2,0,0]=4 1584 B7R0.1 CCOCCCSC 62a_100012232248_200000210301 [1,1,0,0,0,0|2,0,0]=4 1585 B7R0.1 CCOCCCSC 62a_200000210301_100012232248 [1,1,0,0,0,0|2,0,0]=4 1586 B7R0.1 CCOCCCSC 7a_100000690336_100000210202 [1,1,0,0,0,0|2,0,0]=4 1587 B7R0.1 CCOCCCS[13CH3] 62a_100012232248_200025704644 [1,1,0,0,0,0|2,0,0]=4 1588 B7R0.1 CCOCCCS[13CH3] 62a_200025704644_100012232248 [1,1,0,0,0,0|2,0,0]=4 1589 B7R0.1 CCOCCOCC 34a_100000210136_100000210202 [1,1,0,0,0,0|2,0,0]=4 1590 B7R0.1 CCOCCOCC 34a_100121572206_100000210147 [1,1,0,0,0,0|2,0,0]=4 1591 B7R0.1 CCOCCOCC 7a_100000210136_100000210202 [1,1,0,0,0,0|2,0,0]=4 1592 B7R0.1 CCOCCOCF 34a_100000210136_100015361967 [1,1,0,0,0,0|2,0,0]=4 1593 B7R0.1 CCOCCOCF 7a_100000210136_100015361967 [1,1,0,0,0,0|2,0,0]=4 1594 B7R0.1 CCOCCSCC 34a_100000212035_100000210202 [1,1,0,0,0,0|2,0,0]=4 1595 B7R0.1 CCOCCSCC 34a_100121572206_100000757381 [1,1,0,0,0,0|2,0,0]=4 1596 B7R0.1 CCOCCSCC 62a_100000210147_100000210202 [1,1,0,0,0,0|2,0,0]=4 1597 B7R0.1 CCOCCSCC 62a_100000210202_100011215890 [1,1,0,0,0,0|2,0,0]=4 1598 B7R0.1 CCOCCSCC 7a_100000212035_100000210202 [1,1,0,0,0,0|2,0,0]=4 1599 B7R0.1 CCSCCCC=O 62a_100000210202_200011292268 [1,1,0,0,0,0|2,0,0]=4 1600 B7R0.1 CCSCCCC=O 62a_200011292268_100000210202 [1,1,0,0,0,0|2,0,0]=4 1601 B7R0.1 CCSCCOCF 34a_100000212035_100015361967 [1,1,0,0,0,0|2,0,0]=4 1602 B7R0.1 CCSCCOCF 7a_100000212035_100015361967 [1,1,0,0,0,0|2,0,0]=4 1603 B7R0.1 CNCCCCC=O 2230a_106832991635_100000139335 [1,1,0,0,0,0|2,0,0]=4 1604 B7R0.1 CNCCCCC=O 7a_106832991635_100000139335 [1,1,0,0,0,0|2,0,0]=4 1605 B7R0.1 CNCCCOCF 34a_100000213112_100015361967 [1,1,0,0,0,0|2,0,0]=4 1606 B7R0.1 COCCCOCF 34a_100000740835_100015361967 [1,1,0,0,0,0|2,0,0]=4 1607 B7R0.1 COCCOCC=O 34a_100000210237_200009817547 [1,1,0,0,0,0|2,0,0]=4 1608 B7R0.1 CSCCCCC=O 62a_100000139335_200000210301 [1,1,0,0,0,0|2,0,0]=4 1609 B7R0.1 CSCCCCC=O 62a_200000210301_100000139335 [1,1,0,0,0,0|2,0,0]=4 1610 B7R0.1 CSCCCOCF 34a_100000690336_100015361967 [1,1,0,0,0,0|2,0,0]=4 1611 B7R0.1 CSCCCOCF 7a_100000690336_100015361967 [1,1,0,0,0,0|2,0,0]=4 1612 B7R0.1 CSCCOCC=O 34a_100000230434_200009817547 [1,1,0,0,0,0|2,0,0]=4 1613 B7R0.1 CSCCOCC=O 7a_100000230434_200015260668 [1,1,0,0,0,0|2,0,0]=4 1614 B7R0.1 FCCCCOCF 34a_100011995726_100015361967 [1,1,0,0,0,0|2,0,0]=4 1615 B7R0.1 FCCCCOCF 7a_100011995726_100015361967 [1,1,0,0,0,0|2,0,0]=4 1616 B7R0.1 FCOCCCCBr 34a_100011216708_100015361967 [1,1,0,0,0,0|2,0,0]=4 1617 B7R0.1 FCOCCCCCl 34a_100000210776_100015361967 [1,1,0,0,0,0|2,0,0]=4 1618 B7R0.1 FCOCCCCCl 7a_100000210776_100015361967 [1,1,0,0,0,0|2,0,0]=4 1619 B7R0.1 FCOCCCCI 34a_200012148704_100015361967 [1,1,0,0,0,0|2,0,0]=4 1620 B7R0.1 NCCCCOCF 34a_100000750430_100015361967 [1,1,0,0,0,0|2,0,0]=4 1621 B7R0.1 NCCCOCC=O 34a_100000182051_200009817547 [1,1,0,0,0,0|2,0,0]=4 1622 B7R0.1 O=CCOCCCBr 34a_100011217188_200009817547 [1,1,0,0,0,0|2,0,0]=4 1623 B7R0.1 O=CCOCCCCl 34a_100000230001_200009817547 [1,1,0,0,0,0|2,0,0]=4 1624 B7R0.1 O=CCOCCCF 34a_100000759539_200009817547 [1,1,0,0,0,0|2,0,0]=4 1625 B7R0.1 [13CH3]SCCCCC=O 62a_100000139335_200025704644 [1,1,0,0,0,0|2,0,0]=4 1626 B7R0.1 [13CH3]SCCCCC=O 62a_200025704644_100000139335 [1,1,0,0,0,0|2,0,0]=4 1627 B7R0.7 CCCC(C)OCC 34a_100000764384_100000210202 [1,1,0,0,0,0|2,0,0]=4 1628 B7R0.7 CCCC(C)OCC 34a_100121572206_100000766640 [1,1,0,0,0,0|2,0,0]=4 1629 B7R0.7 CCCC(C)OCC 7a_100000764384_100000210202 [1,1,0,0,0,0|2,0,0]=4 1630 B7R0.7 CCCC(C)OCF 34a_100000764384_100015361967 [1,1,0,0,0,0|2,0,0]=4 1631 B7R0.7 CCCC(C)OCF 7a_100000764384_100015361967 [1,1,0,0,0,0|2,0,0]=4 1632 B9R0.4 C#CCOC(C)CC(C)C 34a_100000210247_100000731052 [0,2,0,0,0,0|2,0,0]=4 1633 B9R0.4 C#CCOC(C)CC(C)C 34a_100000211805_100000184674 [0,2,0,0,0,0|2,0,0]=4 1634 B9R0.4 C#CCOC(C)CC(C)C 7a_100000211805_100000038162 [0,2,0,0,0,0|2,0,0]=4 1635 B9R0.4 C=CCOC(C)CC(C)C 34a_100000211805_100015514636 [0,2,0,0,0,0|2,0,0]=4 1636 B9R0.4 C=CCOC(C)CC(C)C 34a_200000210373_100000731052 [0,2,0,0,0,0|2,0,0]=4 1637 B9R0.4 C=CCOC(C)CC(C)C 7a_100000211805_100015514636 [0,2,0,0,0,0|2,0,0]=4 1638 B9R0.4 CC(C)CC(C)NCC=O 2230a_100000692259_200015260668 [0,2,0,0,0,0|2,0,0]=4 1639 B9R0.4 CC(C)CC(C)OCC#N 7a_100000211805_100011215382 [0,2,0,0,0,0|2,0,0]=4 1640 B9R0.4 CC(C)CC(C)OCC=O 34a_100000211805_200009817547 [0,2,0,0,0,0|1,0,0]=3 1641 B9R0.4 CC(C)CC(C)OCC=O 7a_100000211805_200015260668 [0,2,0,0,0,0|1,0,0]=3 1642 B9R0.4 CC(C)CC(C)OCCBr 34a_100000211926_100000731052 [0,2,0,0,0,0|2,0,0]=4 1643 B9R0.4 CC(C)CC(C)OCCF 34a_100000211805_100011217306 [0,2,0,0,0,0|2,0,0]=4 1644 B9R0.4 CC(C)CC(C)OCCF 7a_100000211805_100011217306 [0,2,0,0,0,0|2,0,0]=4 1645 B9R0.4 CC(C)CC(C)OCCN 34a_100000210304_100000731052 [0,2,0,0,0,0|2,0,0]=4 1646 B9R0.4 CC(C)CC(C)OCCO 34a_100000211805_100000211926 [0,2,0,0,0,0|1,0,1]=4 1647 B9R0.4 CC(C)CC(C)OCCO 7a_100000211805_100000211926 [0,2,0,0,0,0|1,0,1]=4 1648 B9R0.4 CC(C)CC(C)SCC=O 62a_100000731052_200015260668 [0,2,0,0,0,0|1,1,0]=4 1649 B9R0.4 CC(C)CC(C)SCC=O 62a_200015260668_100000731052 [0,2,0,0,0,0|1,1,0]=4 1650 B9R0.4 CC(C)C[C@H](N)COCF 34a_100011830311_100015361967 [0,2,0,0,0,0|2,0,0]=4 1651 B9R0.4 CCCOC(C)CC(C)C 34a_100000210258_100000731052 [0,2,0,0,0,0|2,0,0]=4 1652 B9R0.4 CCCOC(C)CC(C)C 34a_100000211805_100000210303 [0,2,0,0,0,0|2,0,0]=4 1653 B9R0.4 CCCOC(C)CC(C)C 7a_100000211805_100000210303 [0,2,0,0,0,0|2,0,0]=4 1654 B9R0.4 CCOCC(=O)CC(C)C 1458a_100000211967_100000210624 [0,2,0,0,0,0|2,0,0]=4 1655 B9R0.4 CCOCC(C)OC(C)C 34a_100000718985_100000210206 [0,2,0,0,0,0|2,0,0]=4 1656 B9R0.4 CCOCC(C)OC(C)C 7a_100000718985_100000210206 [0,2,0,0,0,0|2,0,0]=4 1657 B9R0.4 CCOCN(C)CC(C)C 269982a_100000747067_100000739092 [0,2,0,0,0,0|2,0,0]=4 1658 B9R0.4 CCOC[C@@H](N)CC(C)C 34a_100011830311_100000210202 [0,2,0,0,0,0|2,0,0]=4 1659 B9R0.4 CSCOC(C)CC(C)C 34a_100000211805_100011218213 [0,2,0,0,0,0|1,1,0]=4 1660 B9R0.14 C#CC(CC(C)C)OCC 34a_100011215986_100000210202 [0,2,0,0,0,0|2,0,0]=4 1661 B9R0.14 C#CC(CC(C)C)OCC 7a_100011215986_100000210202 [0,2,0,0,0,0|2,0,0]=4 1662 B9R0.14 C#CC(CC(C)C)OCF 34a_100011215986_100015361967 [0,2,0,0,0,0|2,0,0]=4 1663 B9R0.14 C#CC(CC(C)C)OCF 7a_100011215986_100015361967 [0,2,0,0,0,0|2,0,0]=4 1664 B9R0.14 C=CC(CC(C)C)OCC 34a_100012186643_100000210202 [0,2,0,0,0,0|2,0,0]=4 1665 B9R0.14 C=CC(CC(C)C)OCC 7a_100012186643_100000210202 [0,2,0,0,0,0|2,0,0]=4 1666 B9R0.14 C=CC(CC(C)C)OCF 34a_100012186643_100015361967 [0,2,0,0,0,0|2,0,0]=4 1667 B9R0.14 C=CC(CC(C)C)OCF 7a_100012186643_100015361967 [0,2,0,0,0,0|2,0,0]=4 1668 B9R0.14 CC(C)CC(C#N)OCF 34a_200011294978_100015361967 [0,2,0,0,0,0|2,0,0]=4 1669 B9R0.14 CC(C)CC(C#N)OCF 7a_200011294978_100015361967 [0,2,0,0,0,0|2,0,0]=4 1670 B9R0.14 CCOC(C#N)CC(C)C 34a_200011294978_100000210202 [0,2,0,0,0,0|2,0,0]=4 1671 B9R0.14 CCOC(C#N)CC(C)C 7a_200011294978_100000210202 [0,2,0,0,0,0|2,0,0]=4 1672 B9R0.44 CC(CC(C)(C)C)OCF 7a_200011218616_100015361967 [0,2,0,0,0,0|2,0,0]=4 1673 B9R0.44 CCOC(C)CC(C)(C)C 7a_200011218616_100000210202 [0,2,0,0,0,0|2,0,0]=4 1674 B9R0.53 CC(=O)NC(C)CC(C)C 11a_100000692259_100015343762 [0,2,0,0,0,0|2,0,0]=4 1675 B9R0.53 CC(=O)NC(C)CC(C)C 1626a_100000692259_100015343762 [0,2,0,0,0,0|2,0,0]=4 1676 B9R0.53 CC(=O)NC(C)CC(C)C 240690a_100000692259_100015343762 [0,2,0,0,0,0|2,0,0]=4 1677 B9R0.53 CC(=O)NC(C)CC(C)C 527a_100000692259_100103153847 [0,2,0,0,0,0|2,0,0]=4 1678 B9R0.53 CC(=O)OC(C)SC(C)C 62a_100000210206_100009818208 [0,2,0,0,0,0|2,0,0]=4 1679 B9R0.53 CC(=O)OC(C)SC(C)C 62a_100009818208_100000210206 [0,2,0,0,0,0|2,0,0]=4 1680 B9R0.53 CC(C)CC(C)OC(C)C 34a_100000211805_100000210206 [0,2,0,0,0,0|2,0,0]=4 1681 B9R0.53 CC(C)CC(C)OC(C)C 34a_100000212225_100000731052 [0,2,0,0,0,0|2,0,0]=4 1682 B9R0.53 CC(C)CC(C)OC(C)C 7a_100000211805_100000210206 [0,2,0,0,0,0|2,0,0]=4 1683 B9R0.1 C#CC(=O)CCCC(C)C 1458a_100000211873_100011214892 [0,2,0,0,0,0|2,0,0]=4 1684 B9R0.1 C#CC(C)OCCC(C)C 34a_100000210254_200000035995 [0,2,0,0,0,0|2,0,0]=4 1685 B9R0.1 C#C[C@@H](C)OCCC(C)C 34a_100009815206_100000210312 [0,2,0,0,0,0|2,0,0]=4 1686 B9R0.1 C#C[C@@H](C)OCCC(C)C 7a_100009815206_100000210626 [0,2,0,0,0,0|2,0,0]=4 1687 B9R0.1 C=CC(=O)CCCC(C)C 1458a_100000185746_100011214892 [0,2,0,0,0,0|2,0,0]=4 1688 B9R0.1 C=CC(=O)NCCC(C)C 1626a_100000210545_100000185746 [0,2,0,0,0,0|2,0,0]=4 1689 B9R0.1 C=CC(=O)NCCC(C)C 240690a_100000210545_200121576911 [0,2,0,0,0,0|2,0,0]=4 1690 B9R0.1 C=CC(=O)OCCN(C)C 2230a_100102631434_100009813456 [0,2,0,0,0,0|2,0,0]=4 1691 B9R0.1 C=CC(=O)OCCN(C)C 269982a_100102631434_100009813456 [0,2,0,0,0,0|2,0,0]=4 1692 B9R0.1 C=CC(C)OCCC(C)C 34a_100000695699_100000210312 [0,2,0,0,0,0|2,0,0]=4 1693 B9R0.1 CC(=O)NCCC(C)CO 240690a_106354213184_100015343762 [0,2,0,0,0,0|2,0,0]=4 1694 B9R0.1 CC(=O)NCCC(C)CO 527a_106354213184_100103153847 [0,2,0,0,0,0|2,0,0]=4 1695 B9R0.1 CC(=O)OCOC(C)CF 34a_100016041109_100009813279 [0,2,0,0,0,0|2,0,0]=4 1696 B9R0.1 CC(=O)OCOC(C)CN 34a_100000210904_100009813279 [0,2,0,0,0,0|2,0,0]=4 1697 B9R0.1 CC(=O)OCSC(C)CO 62a_100012180447_100000076356 [0,2,0,0,0,0|2,0,0]=4 1698 B9R0.1 CC(=O)OCS[C@H](C)CO 62a_100000076356_100016084084 [0,2,0,0,0,0|2,0,0]=4 1699 B9R0.1 CC(=O)OCS[C@H](C)CO 62a_100016084084_100000076356 [0,2,0,0,0,0|2,0,0]=4 1700 B9R0.1 CC(C)CCCC(=O)CF 1458a_100011216857_100015361967 [0,2,0,0,0,0|2,0,0]=4 1701 B9R0.1 CC(C)CCCC(=O)CO 1458a_100000210174_100011214892 [0,2,0,0,0,0|2,0,0]=4 1702 B9R0.1 CC(C)CCNC(=O)CO 240690a_100000210545_100000210174 [0,2,0,0,0,0|2,0,0]=4 1703 B9R0.1 CC(C)CCNC(=O)CO 527a_100000210545_100000210174 [0,2,0,0,0,0|2,0,0]=4 1704 B9R0.1 CC(C)CCOC(C)C#N 34a_100011218135_100000210312 [0,2,0,0,0,0|2,0,0]=4 1705 B9R0.1 CC(C)CCOC(C)C#N 7a_100000210254_100000703298 [0,2,0,0,0,0|2,0,0]=4 1706 B9R0.1 CC(C)CCOC(C)CF 34a_100016041109_100000210312 [0,2,0,0,0,0|2,0,0]=4 1707 B9R0.1 CC(C)CCOC(C)CF 7a_100016041109_100000210626 [0,2,0,0,0,0|2,0,0]=4 1708 B9R0.1 CC(C)CCOC(C)CN 34a_100000210904_100000210312 [0,2,0,0,0,0|2,0,0]=4 1709 B9R0.1 CC(C)CCOC(C)CO 34a_100000210254_100012180447 [0,2,0,0,0,0|1,0,1]=4 1710 B9R0.1 CC(C)CCOC(C)CO 7a_100000210254_100012180447 [0,2,0,0,0,0|1,0,1]=4 1711 B9R0.1 CC(C)OCCC(=NO)N 34a_100000749954_100000210206 [0,2,0,0,0,0|1,0,1]=4 1712 B9R0.1 CC(CCCC(=O)[O-])O[13CH3] 7a_100000761597_200025704644 [0,2,0,0,0,0|2,0,0]=4 1713 B9R0.1 CCC(=O)CCCC(C)C 1458a_100000210414_100011214892 [0,2,0,0,0,0|2,0,0]=4 1714 B9R0.1 CCC(=O)CCCC(C)C 1458a_100011216857_100000210202 [0,2,0,0,0,0|2,0,0]=4 1715 B9R0.1 CCC(=O)NCCC(C)C 11a_100000210545_100000210414 [0,2,0,0,0,0|2,0,0]=4 1716 B9R0.1 CCC(=O)NCCC(C)C 1626a_100000210545_100000210414 [0,2,0,0,0,0|2,0,0]=4 1717 B9R0.1 CCC(=O)NCCC(C)C 240690a_100000210545_100000210414 [0,2,0,0,0,0|2,0,0]=4 1718 B9R0.1 CCC(=O)NCCC(C)C 527a_100000210545_100000210414 [0,2,0,0,0,0|2,0,0]=4 1719 B9R0.1 CCC(C)CCNC(=O)C 11a_100020591266_100015343762 [0,2,0,0,0,0|2,0,0]=4 1720 B9R0.1 CCC(C)CCNC(=O)C 1626a_100020591266_100015343762 [0,2,0,0,0,0|2,0,0]=4 1721 B9R0.1 CCC(C)CCNC(=O)C 240690a_100020591266_100015343762 [0,2,0,0,0,0|2,0,0]=4 1722 B9R0.1 CCC(C)CCNC(=O)C 527a_100020591266_100103153847 [0,2,0,0,0,0|2,0,0]=4 1723 B9R0.1 CCC(C)CCOC(C)C 7a_100011215188_100000210206 [0,2,0,0,0,0|2,0,0]=4 1724 B9R0.1 CCC(C)OCCC(C)C 34a_100000210254_100011215416 [0,2,0,0,0,0|2,0,0]=4 1725 B9R0.1 CCC(C)OCCC(C)C 7a_100000210228_100000210626 [0,2,0,0,0,0|2,0,0]=4 1726 B9R0.1 CCC(C)OCCC(C)C 7a_100000210254_100000758301 [0,2,0,0,0,0|2,0,0]=4 1727 B9R0.1 CCC(C)SCOC(=O)C 62a_100000076356_100000758301 [0,2,0,0,0,0|2,0,0]=4 1728 B9R0.1 CCC(C)SCOC(=O)C 62a_100000758301_100000076356 [0,2,0,0,0,0|2,0,0]=4 1729 B9R0.1 CCN(C)CCOC(=O)C 269982a_100000225621_100009814007 [0,2,0,0,0,0|2,0,0]=4 1730 B9R0.1 CCN(C)CCOC(=O)N 269982a_100000225621_200011214921 [0,2,0,0,0,0|2,0,0]=4 1731 B9R0.1 CNC(=O)CCCC(C)C 11a_106832991635_100011216857 [0,2,0,0,0,0|2,0,0]=4 1732 B9R0.1 CNC(=O)CCCC(C)C 1626a_100102657272_100011216857 [0,2,0,0,0,0|2,0,0]=4 1733 B9R0.1 CNC(=O)CCCC(C)C 240690a_100102657272_100011216857 [0,2,0,0,0,0|2,0,0]=4 1734 B9R0.1 CNC(=O)CCCC(C)C 527a_100102657272_100011216857 [0,2,0,0,0,0|2,0,0]=4 1735 B9R0.1 CNC(=O)NCCC(C)C 2708a_100000210545_106832991635 [0,2,0,0,0,0|2,0,0]=4 1736 B9R0.1 CNC(=O)NCCC(C)C 2708a_100102657272_100000210545 [0,2,0,0,0,0|2,0,0]=4 1737 B9R0.1 CNC(=O)NCCC(C)C 273464a_100000210545_100102657272 [0,2,0,0,0,0|2,0,0]=4 1738 B9R0.1 CNC(=O)NCCC(C)C 273464a_100102657272_100000210545 [0,2,0,0,0,0|2,0,0]=4 1739 B9R0.1 CNC(=O)NCCC(C)C 512a_100000210545_100102657272 [0,2,0,0,0,0|2,0,0]=4 1740 B9R0.1 CNC(=O)NCCC(C)C 512a_106832991638_100000210545 [0,2,0,0,0,0|2,0,0]=4 1741 B9R0.1 CNC(=O)OCCN(C)C 269982a_100102631434_200011997002 [0,2,0,0,0,0|2,0,0]=4 1742 B9R0.1 CNC(C)CCOC(C)C 270004a_106832991635_200011219172 [0,2,0,0,0,0|2,0,0]=4 1743 B9R0.1 COC(=O)OCSC(C)C 62a_100000210206_100000139417 [0,2,0,0,0,0|2,0,0]=4 1744 B9R0.1 COC(C)CCCC(=O)[O-] 7a_100000761597_200000210301 [0,2,0,0,0,0|2,0,0]=4 1745 B9R0.1 COC(C)CCOC(C)C 7a_100000764861_100000210206 [0,2,0,0,0,0|2,0,0]=4 1746 B9R0.1 COC(C)SCOC(=O)C 62a_100000076356_100009879195 [0,2,0,0,0,0|2,0,0]=4 1747 B9R0.1 COC(C)SCOC(=O)C 62a_100009879195_100000076356 [0,2,0,0,0,0|2,0,0]=4 1748 B9R0.5 CCCC(C)CCOCC 34a_100011217855_100000210202 [0,2,0,0,0,0|2,0,0]=4 1749 B9R0.5 CCCC(C)CCOCC 7a_100011217855_100000210202 [0,2,0,0,0,0|2,0,0]=4 1750 B9R0.5 CCCC(C)CCOCF 34a_100011217855_100015361967 [0,2,0,0,0,0|2,0,0]=4 1751 B9R0.5 CCCC(C)CCOCF 7a_100011217855_100015361967 [0,2,0,0,0,0|2,0,0]=4 1752 B9R0.5 CCNC(C)CCOCC 270004a_100015525214_200011216536 [0,2,0,0,0,0|2,0,0]=4 1753 B9R0.20 CCOCCC(C)(C)OC 7a_100000699976_100000210202 [0,2,0,0,0,0|2,0,0]=4 1754 B9R0.20 COC(C)(C)CCOCF 7a_100000699976_100015361967 [0,2,0,0,0,0|2,0,0]=4 1755 B9R0.46 C#CCOCCC(C)CC 7a_100011215188_100000038162 [0,2,0,0,0,0|2,0,0]=4 1756 B9R0.46 C#CCOCCC(C)OC 7a_100000764861_100000038162 [0,2,0,0,0,0|2,0,0]=4 1757 B9R0.46 C=CCOCCC(C)CC 7a_100011215188_100015514636 [0,2,0,0,0,0|2,0,0]=4 1758 B9R0.46 C=CCOCCC(C)OC 7a_100000764861_100015514636 [0,2,0,0,0,0|2,0,0]=4 1759 B9R0.46 C=COCCNC(C)CC 2230a_100000209981_100000039644 [0,2,0,0,0,0|2,0,0]=4 1760 B9R0.46 C=COCCN[C@H](C)CO 2230a_100000737577_100000039644 [0,2,0,0,0,0|2,0,0]=4 1761 B9R0.46 C=COCCOC(C)CC 34a_100000033082_100011215416 [0,2,0,0,0,0|2,0,0]=4 1762 B9R0.46 C=COCCOC(C)CC 7a_100000210228_100000039644 [0,2,0,0,0,0|2,0,0]=4 1763 B9R0.46 C=COCCOC(C)CF 34a_100016041109_100000039644 [0,2,0,0,0,0|2,0,0]=4 1764 B9R0.46 C=COCCOC(C)CF 7a_100016041109_100000039644 [0,2,0,0,0,0|2,0,0]=4 1765 B9R0.46 C=COCCOC(C)CN 34a_100000210904_100000039644 [0,2,0,0,0,0|2,0,0]=4 1766 B9R0.46 C=COCCOC(C)CO 34a_100000033082_100012180447 [0,2,0,0,0,0|2,0,0]=4 1767 B9R0.46 C=COCCSC(C)CC 62a_100000039644_100000758301 [0,2,0,0,0,0|2,0,0]=4 1768 B9R0.46 C=COCCSC(C)CC 62a_100000758301_100000039644 [0,2,0,0,0,0|2,0,0]=4 1769 B9R0.46 C=COCCSC(C)CO 62a_100012180447_100000039644 [0,2,0,0,0,0|2,0,0]=4 1770 B9R0.46 C=COCCSC(C)OC 62a_100000039644_100009879195 [0,2,0,0,0,0|2,0,0]=4 1771 B9R0.46 C=COCCSC(C)OC 62a_100009879195_100000039644 [0,2,0,0,0,0|2,0,0]=4 1772 B9R0.46 C=COCCS[C@H](C)CO 62a_100000039644_100016084084 [0,2,0,0,0,0|2,0,0]=4 1773 B9R0.46 C=COCCS[C@H](C)CO 62a_100016084084_100000039644 [0,2,0,0,0,0|2,0,0]=4 1774 B9R0.46 CC(CF)OCCCC=O 7a_100016041109_200011292268 [0,2,0,0,0,0|2,0,0]=4 1775 B9R0.46 CC(CO)CCNCC=O 2230a_106354213184_200015260668 [0,2,0,0,0,0|2,0,0]=4 1776 B9R0.46 CC(CO)CCNCC=O 34a_106354213184_200009817547 [0,2,0,0,0,0|2,0,0]=4 1777 B9R0.46 CC(CO)SCCCC=O 62a_100012180447_200011292268 [0,2,0,0,0,0|2,0,0]=4 1778 B9R0.46 CCC(C)CCCOCF 7a_100011216074_100015361967 [0,2,0,0,0,0|2,0,0]=4 1779 B9R0.46 CCC(C)CCNCC=O 2230a_100020591266_200015260668 [0,2,0,0,0,0|2,0,0]=4 1780 B9R0.46 CCC(C)CCOCC#N 7a_100011215188_100011215382 [0,2,0,0,0,0|2,0,0]=4 1781 B9R0.46 CCC(C)CCOCC=O 7a_100011215188_200015260668 [0,2,0,0,0,0|1,0,0]=3 1782 B9R0.46 CCC(C)CCOCCF 7a_100011215188_100011217306 [0,2,0,0,0,0|2,0,0]=4 1783 B9R0.46 CCC(C)CCOCCO 7a_100011215188_100000211926 [0,2,0,0,0,0|1,0,1]=4 1784 B9R0.46 CCC(C)NCCCC=O 2230a_100000209981_200011292268 [0,2,0,0,0,0|2,0,0]=4 1785 B9R0.46 CCC(C)OCCCC=O 7a_100000210228_200011292268 [0,2,0,0,0,0|2,0,0]=4 1786 B9R0.46 CCC(C)SCCCC=O 62a_100000758301_200011292268 [0,2,0,0,0,0|2,0,0]=4 1787 B9R0.46 CCC(C)SCCCC=O 62a_200011292268_100000758301 [0,2,0,0,0,0|2,0,0]=4 1788 B9R0.46 CCCOCCC(C)CC 7a_100011215188_100000210303 [0,2,0,0,0,0|2,0,0]=4 1789 B9R0.46 CCCOCCC(C)OC 7a_100000764861_100000210303 [0,2,0,0,0,0|2,0,0]=4 1790 B9R0.46 CCOCCCC(C)CC 7a_100011216074_100000210202 [0,2,0,0,0,0|2,0,0]=4 1791 B9R0.46 CCOCCC[C@@H](C)CN 34a_100160569302_100000210202 [0,2,0,0,0,0|2,0,0]=4 1792 B9R0.46 CCOCCNC(C)CC 2230a_100000209981_100011215890 [0,2,0,0,0,0|2,0,0]=4 1793 B9R0.46 CCOCCNC(C)CC 2230a_102516460346_100000758301 [0,2,0,0,0,0|2,0,0]=4 1794 B9R0.46 CCOCCNC(C)CC 34a_102516460346_100011215416 [0,2,0,0,0,0|2,0,0]=4 1795 B9R0.46 CCOCCNC(C)CO 2230a_102516460346_100012180447 [0,2,0,0,0,0|2,0,0]=4 1796 B9R0.46 CCOCCNC(C)CO 34a_102516460346_100012180447 [0,2,0,0,0,0|2,0,0]=4 1797 B9R0.46 CCOCCN[C@H](C)CO 2230a_100000737577_100011215890 [0,2,0,0,0,0|2,0,0]=4 1798 B9R0.46 CCOCCOC(C)CC 34a_100000210136_100011215416 [0,2,0,0,0,0|2,0,0]=4 1799 B9R0.46 CCOCCOC(C)CC 7a_100000210136_100000758301 [0,2,0,0,0,0|2,0,0]=4 1800 B9R0.46 CCOCCOC(C)CC 7a_100000210228_100011215890 [0,2,0,0,0,0|2,0,0]=4 1801 B9R0.46 CCOCCOC(C)CF 34a_100016041109_100000210147 [0,2,0,0,0,0|2,0,0]=4 1802 B9R0.46 CCOCCOC(C)CF 7a_100016041109_100011215890 [0,2,0,0,0,0|2,0,0]=4 1803 B9R0.46 CCOCCOC(C)CN 34a_100000210904_100000210147 [0,2,0,0,0,0|2,0,0]=4 1804 B9R0.46 CCOCCOC(C)CO 34a_100000210136_100012180447 [0,2,0,0,0,0|2,0,0]=4 1805 B9R0.46 CCOCCOC(C)CO 7a_100000210136_100012180447 [0,2,0,0,0,0|2,0,0]=4 1806 B9R0.46 CCOCCSC(C)CC 62a_100000210147_100000758301 [0,2,0,0,0,0|2,0,0]=4 1807 B9R0.46 CCOCCSC(C)CC 62a_100000758301_100011215890 [0,2,0,0,0,0|2,0,0]=4 1808 B9R0.46 CCOCCSC(C)CO 62a_100012180447_100011215890 [0,2,0,0,0,0|2,0,0]=4 1809 B9R0.46 CCOCCSC(C)OC 62a_100000210147_100009879195 [0,2,0,0,0,0|2,0,0]=4 1810 B9R0.46 CCOCCSC(C)OC 62a_100009879195_100011215890 [0,2,0,0,0,0|2,0,0]=4 1811 B9R0.46 CCOCCS[C@H](C)CO 62a_100000210147_100016084084 [0,2,0,0,0,0|2,0,0]=4 1812 B9R0.46 CCOCCS[C@H](C)CO 62a_100016084084_100011215890 [0,2,0,0,0,0|2,0,0]=4 1813 B9R0.46 CCOCSCC(C)CC 62a_100000739092_100000748023 [0,2,0,0,0,0|2,0,0]=4 1814 B9R0.46 CCOCSCC(C)CC 62a_100000748023_100000739092 [0,2,0,0,0,0|2,0,0]=4 1815 B9R0.46 CCOCSC[C@@H](C)CC 62a_100000739092_100009816398 [0,2,0,0,0,0|2,0,0]=4 1816 B9R0.46 CCOCSC[C@@H](C)CC 62a_100009816398_100000739092 [0,2,0,0,0,0|2,0,0]=4 1817 B9R0.46 CCOCSC[C@@H](C)CO 62a_100000059175_100000739092 [0,2,0,0,0,0|2,0,0]=4 1818 B9R0.46 CCOCSC[C@@H](C)CO 62a_100000739092_100000059175 [0,2,0,0,0,0|2,0,0]=4 1819 B9R0.46 COC(C)CCOCC#N 7a_100000764861_100011215382 [0,2,0,0,0,0|2,0,0]=4 1820 B9R0.46 COC(C)CCOCC=O 7a_100000764861_200015260668 [0,2,0,0,0,0|1,0,0]=3 1821 B9R0.46 COC(C)CCOCCF 7a_100000764861_100011217306 [0,2,0,0,0,0|2,0,0]=4 1822 B9R0.46 COC(C)CCOCCO 7a_100000764861_100000211926 [0,2,0,0,0,0|1,0,1]=4 1823 B9R0.46 COC(C)SCCCC=O 62a_100009879195_200011292268 [0,2,0,0,0,0|2,0,0]=4 1824 B9R0.46 COC(C)SCCCC=O 62a_200011292268_100009879195 [0,2,0,0,0,0|2,0,0]=4 1825 B9R0.46 C[C@@H](CN)CCCOCF 34a_100160569302_100015361967 [0,2,0,0,0,0|2,0,0]=4 1826 B9R0.46 C[C@H](CO)NCCCC=O 2230a_100000737577_200011292268 [0,2,0,0,0,0|2,0,0]=4 1827 B9R0.46 C[C@H](CO)SCCCC=O 62a_100016084084_200011292268 [0,2,0,0,0,0|2,0,0]=4 1828 B9R0.46 C[C@H](CO)SCCCC=O 62a_200011292268_100016084084 [0,2,0,0,0,0|2,0,0]=4 1829 B9R0.47 C#CCOC[C@H](N)C(C)C 34a_100011830312_100000184674 [0,2,0,0,0,0|2,0,0]=4 1830 B9R0.47 C=CCOC[C@H](N)C(C)C 34a_100011830312_100015514636 [0,2,0,0,0,0|2,0,0]=4 1831 B9R0.47 C=COCCC(=O)C(C)C 1458a_100000210198_100000039644 [0,2,0,0,0,0|2,0,0]=4 1832 B9R0.47 C=COCCN(C)C(C)C 269982a_200000211004_100000039644 [0,2,0,0,0,0|2,0,0]=4 1833 B9R0.47 CC(C)C(N)CCOCF 34a_100161115045_100015361967 [0,2,0,0,0,0|2,0,0]=4 1834 B9R0.47 CC(C)C(O)CNCC=O 2230a_100000759067_200015260668 [0,2,0,0,0,0|2,0,0]=4 1835 B9R0.47 CC(C)C(O)CNCC=O 34a_100000759067_200009817547 [0,2,0,0,0,0|2,0,0]=4 1836 B9R0.47 CC(C)N(C)CCCC=O 269982a_200000211004_200011292268 [0,2,0,0,0,0|2,0,0]=4 1837 B9R0.47 CC(C)[C@@H](N)COCC=O 34a_100011830312_200009817547 [0,2,0,0,0,0|1,0,0]=3 1838 B9R0.47 CC(C)[C@@H](N)COCCF 34a_100011830312_100011217306 [0,2,0,0,0,0|2,0,0]=4 1839 B9R0.47 CC(C)[C@@H](N)COCCO 34a_100011830312_100000211926 [0,2,0,0,0,0|1,0,1]=4 1840 B9R0.47 CCCOC[C@H](N)C(C)C 34a_100011830312_100000210303 [0,2,0,0,0,0|2,0,0]=4 1841 B9R0.47 CCOCCC(=O)C(C)C 1458a_100000210198_100011215890 [0,2,0,0,0,0|2,0,0]=4 1842 B9R0.47 CCOCCC(=O)C(C)C 1458a_100000749530_100000210206 [0,2,0,0,0,0|2,0,0]=4 1843 B9R0.47 CCOCCC(C)N(C)C 270004a_100102631434_200011216536 [0,2,0,0,0,0|2,0,0]=4 1844 B9R0.47 CCOCCC(N)C(C)C 34a_100161115045_100000210202 [0,2,0,0,0,0|2,0,0]=4 1845 B9R0.47 CCOCCN(C)C(C)C 269982a_200000211004_100011215890 [0,2,0,0,0,0|2,0,0]=4 1846 B9R0.47 CSCOC[C@H](N)C(C)C 34a_100011830312_100011218213 [0,2,0,0,0,0|1,1,0]=4 1847 B9R0.50 CCOCCC(OC)OC 34a_100121572206_100000139399 [0,2,0,0,0,0|2,0,0]=4 1848 B9R0.2 C#CCCOCCC(C)C 34a_100000210254_100000688953 [0,2,0,0,0,0|2,0,0]=4 1849 B9R0.2 C#CCCOCCC(C)C 34a_100011215631_100000210312 [0,2,0,0,0,0|2,0,0]=4 1850 B9R0.2 C#CCCOCCC(C)C 7a_100000210254_100000688953 [0,2,0,0,0,0|2,0,0]=4 1851 B9R0.2 C#CCOCCCC(C)C 34a_100000210247_100011214892 [0,2,0,0,0,0|2,0,0]=4 1852 B9R0.2 C#CCOCCCC(C)C 34a_100000210774_100000184674 [0,2,0,0,0,0|2,0,0]=4 1853 B9R0.2 C#CCOCCCC(C)C 7a_100000210774_100000038162 [0,2,0,0,0,0|2,0,0]=4 1854 B9R0.2 C#CCOCCNC(C)C 2230a_100000700922_100000210206 [0,2,0,0,0,0|2,0,0]=4 1855 B9R0.2 C#CCOCCNC(C)C 2230a_100138425928_100010402529 [0,2,0,0,0,0|2,0,0]=4 1856 B9R0.2 C#CCOCCNC(C)C 34a_100000224655_100000184674 [0,2,0,0,0,0|2,0,0]=4 1857 B9R0.2 C#CCOCCNC(C)C 34a_100000700922_100000210206 [0,2,0,0,0,0|2,0,0]=4 1858 B9R0.2 C#CCOCCNC(C)C 34a_100138425928_100010402529 [0,2,0,0,0,0|2,0,0]=4 1859 B9R0.2 C#CCOCCOC(C)C 34a_100000054580_100000210206 [0,2,0,0,0,0|2,0,0]=4 1860 B9R0.2 C#CCOCCOC(C)C 34a_100000210247_100000211751 [0,2,0,0,0,0|2,0,0]=4 1861 B9R0.2 C#CCOCCOC(C)C 34a_100000211219_100000184674 [0,2,0,0,0,0|2,0,0]=4 1862 B9R0.2 C#CCOCCOC(C)C 34a_100000212225_100010402529 [0,2,0,0,0,0|2,0,0]=4 1863 B9R0.2 C#CCOCCOC(C)C 7a_100000054580_100000210206 [0,2,0,0,0,0|2,0,0]=4 1864 B9R0.2 C#CCOCCOC(C)C 7a_100000211219_100000038162 [0,2,0,0,0,0|2,0,0]=4 1865 B9R0.2 C#CCOCCSC(C)C 34a_100000210247_100000730970 [0,2,0,0,0,0|2,0,0]=4 1866 B9R0.2 C#CCOCCSC(C)C 34a_200011212901_100000184674 [0,2,0,0,0,0|2,0,0]=4 1867 B9R0.2 C#CCOCCSC(C)C 62a_100000210206_100010402529 [0,2,0,0,0,0|2,0,0]=4 1868 B9R0.2 C#CCOCCSC(C)C 62a_100010402529_100000210206 [0,2,0,0,0,0|2,0,0]=4 1869 B9R0.2 C#CCOCCSC(C)C 7a_200011212901_100000038162 [0,2,0,0,0,0|2,0,0]=4 1870 B9R0.2 C/C=C/COCCC(C)C 34a_100000210254_100102629194 [0,2,0,0,0,0|2,0,0]=4 1871 B9R0.2 C/C=C/COCCC(C)C 34a_100016270725_100000210312 [0,2,0,0,0,0|2,0,0]=4 1872 B9R0.2 C/C=C/COCCC(C)C 7a_100000210254_100102629194 [0,2,0,0,0,0|2,0,0]=4 1873 B9R0.2 C=CCCOCCC(C)C 34a_100000210254_100000754431 [0,2,0,0,0,0|2,0,0]=4 1874 B9R0.2 C=CCCOCCC(C)C 34a_100011205117_100000210312 [0,2,0,0,0,0|2,0,0]=4 1875 B9R0.2 C=CCCOCCC(C)C 7a_100000210254_100000754431 [0,2,0,0,0,0|2,0,0]=4 1876 B9R0.2 C=CCOCCCC(C)C 34a_100000210774_100015514636 [0,2,0,0,0,0|2,0,0]=4 1877 B9R0.2 C=CCOCCCC(C)C 34a_200000210373_100011214892 [0,2,0,0,0,0|2,0,0]=4 1878 B9R0.2 C=CCOCCCC(C)C 7a_100000210774_100015514636 [0,2,0,0,0,0|2,0,0]=4 1879 B9R0.2 C=CCOCCNC(C)C 34a_100000224655_100015514636 [0,2,0,0,0,0|2,0,0]=4 1880 B9R0.2 C=CCOCCOC(C)C 34a_100000037705_100000210206 [0,2,0,0,0,0|2,0,0]=4 1881 B9R0.2 C=CCOCCOC(C)C 34a_100000211219_100015514636 [0,2,0,0,0,0|2,0,0]=4 1882 B9R0.2 C=CCOCCOC(C)C 34a_200000210373_100000211751 [0,2,0,0,0,0|2,0,0]=4 1883 B9R0.2 C=CCOCCOC(C)C 7a_100000037705_100000210206 [0,2,0,0,0,0|2,0,0]=4 1884 B9R0.2 C=CCOCCOC(C)C 7a_100000211219_100015514636 [0,2,0,0,0,0|2,0,0]=4 1885 B9R0.2 C=CCOCCSC(C)C 34a_200000210373_100000730970 [0,2,0,0,0,0|2,0,0]=4 1886 B9R0.2 C=CCOCCSC(C)C 34a_200011212901_100015514636 [0,2,0,0,0,0|2,0,0]=4 1887 B9R0.2 C=CCOCCSC(C)C 7a_200011212901_100015514636 [0,2,0,0,0,0|2,0,0]=4 1888 B9R0.2 C=COCCCNC(C)C 2230a_100000210767_100000210206 [0,2,0,0,0,0|2,0,0]=4 1889 B9R0.2 C=COCCCNC(C)C 34a_100000210767_100000210206 [0,2,0,0,0,0|2,0,0]=4 1890 B9R0.2 C=COCCNCC(C)C 2230a_100000210953_100000039644 [0,2,0,0,0,0|2,0,0]=4 1891 B9R0.2 C=COCCNCC(C)C 34a_100000210953_100000039644 [0,2,0,0,0,0|2,0,0]=4 1892 B9R0.2 C=COCCOCC(C)C 34a_100000033082_100000210624 [0,2,0,0,0,0|2,0,0]=4 1893 B9R0.2 C=COCCOCC(C)C 34a_100000210257_100000039644 [0,2,0,0,0,0|2,0,0]=4 1894 B9R0.2 C=COCCSCC(C)C 62a_100000039644_100000210760 [0,2,0,0,0,0|2,0,0]=4 1895 B9R0.2 C=COCCSCC(C)C 62a_100000210624_100000039644 [0,2,0,0,0,0|2,0,0]=4 1896 B9R0.2 CC#CCOCCC(C)C 34a_100000210254_100000748600 [0,2,0,0,0,0|2,0,0]=4 1897 B9R0.2 CC#CCOCCC(C)C 34a_100000761923_100000210312 [0,2,0,0,0,0|2,0,0]=4 1898 B9R0.2 CC#CCOCCC(C)C 7a_100000210254_100000748600 [0,2,0,0,0,0|2,0,0]=4 1899 B9R0.2 CC(C)CCCCOCF 34a_100011214890_100015361967 [0,2,0,0,0,0|2,0,0]=4 1900 B9R0.2 CC(C)CCCCOCF 7a_100011214890_100015361967 [0,2,0,0,0,0|2,0,0]=4 1901 B9R0.2 CC(C)CCCNCC=O 2230a_200000737386_200015260668 [0,2,0,0,0,0|1,0,1]=4 1902 B9R0.2 CC(C)CCCNCC=O 34a_200000737386_200009817547 [0,2,0,0,0,0|1,0,1]=4 1903 B9R0.2 CC(C)CCCOCC#N 7a_100000210774_100011215382 [0,2,0,0,0,0|2,0,0]=4 1904 B9R0.2 CC(C)CCCOCC=O 34a_100000210774_200009817547 [0,2,0,0,0,0|1,0,0]=3 1905 B9R0.2 CC(C)CCCOCC=O 7a_100000210774_200015260668 [0,2,0,0,0,0|1,0,0]=3 1906 B9R0.2 CC(C)CCCOCCBr 34a_100000211926_100011214892 [0,2,0,0,0,0|2,0,0]=4 1907 B9R0.2 CC(C)CCCOCCF 34a_100000210774_100011217306 [0,2,0,0,0,0|2,0,0]=4 1908 B9R0.2 CC(C)CCCOCCF 7a_100000210774_100011217306 [0,2,0,0,0,0|2,0,0]=4 1909 B9R0.2 CC(C)CCCOCCN 34a_100000210304_100011214892 [0,2,0,0,0,0|2,0,0]=4 1910 B9R0.2 CC(C)CCCOCCO 34a_100000210774_100000211926 [0,2,0,0,0,0|1,0,1]=4 1911 B9R0.2 CC(C)CCCOCCO 7a_100000210774_100000211926 [0,2,0,0,0,0|1,0,1]=4 1912 B9R0.2 CC(C)CCCSCC=O 62a_100011214892_200015260668 [0,2,0,0,0,0|1,1,0]=4 1913 B9R0.2 CC(C)CCCSCC=O 62a_200015260668_100011214892 [0,2,0,0,0,0|1,1,0]=4 1914 B9R0.2 CC(C)CCOCCC#N 7a_100000210254_100000184422 [0,2,0,0,0,0|2,0,0]=4 1915 B9R0.2 CC(C)CCOCCCBr 34a_100011217188_100000210312 [0,2,0,0,0,0|2,0,0]=4 1916 B9R0.2 CC(C)CCOCCCCl 34a_100000230001_100000210312 [0,2,0,0,0,0|2,0,0]=4 1917 B9R0.2 CC(C)CCOCCCF 34a_100000210254_100011934791 [0,2,0,0,0,0|2,0,0]=4 1918 B9R0.2 CC(C)CCOCCCF 34a_100000759539_100000210312 [0,2,0,0,0,0|2,0,0]=4 1919 B9R0.2 CC(C)CCOCCCF 7a_100000210254_100011934791 [0,2,0,0,0,0|2,0,0]=4 1920 B9R0.2 CC(C)CCOCCCN 34a_100000182051_100000210312 [0,2,0,0,0,0|2,0,0]=4 1921 B9R0.2 CC(C)CCOCCCO 34a_100000210254_100000230001 [0,2,0,0,0,0|1,0,1]=4 1922 B9R0.2 CC(C)CCOCCCO 7a_100000210254_100011215043 [0,2,0,0,0,0|1,0,1]=4 1923 B9R0.2 CC(C)CCOCCON 34a_100000700252_100000210312 [0,2,0,0,0,0|1,0,1]=4 1924 B9R0.2 CC(C)CNCCCC=O 2230a_100000210953_200011292268 [0,2,0,0,0,0|2,0,0]=4 1925 B9R0.2 CC(C)CNCCOCF 34a_100015185251_100015361967 [0,2,0,0,0,0|2,0,0]=4 1926 B9R0.2 CC(C)COCCOCF 34a_100000703358_100015361967 [0,2,0,0,0,0|2,0,0]=4 1927 B9R0.2 CC(C)COCCOCF 7a_100000703358_100015361967 [0,2,0,0,0,0|2,0,0]=4 1928 B9R0.2 CC(C)CSCCCC=O 62a_100000210624_200011292268 [0,2,0,0,0,0|2,0,0]=4 1929 B9R0.2 CC(C)CSCCCC=O 62a_200011292268_100000210760 [0,2,0,0,0,0|2,0,0]=4 1930 B9R0.2 CC(C)CSCCOCF 34a_200000230437_100015361967 [0,2,0,0,0,0|2,0,0]=4 1931 B9R0.2 CC(C)CSCCOCF 7a_200000230437_100015361967 [0,2,0,0,0,0|2,0,0]=4 1932 B9R0.2 CC(C)NCCCCC=O 2230a_100138425928_100000139335 [0,2,0,0,0,0|2,0,0]=4 1933 B9R0.2 CC(C)NCCCN=[N+]=[N-] 2230a_100000744732_100000210206 [0,2,0,0,0,0|2,0,0]=4 1934 B9R0.2 CC(C)NCCCOCF 34a_100000182298_100015361967 [0,2,0,0,0,0|2,0,0]=4 1935 B9R0.2 CC(C)NCCOCC#N 2230a_100138425928_200000047693 [0,2,0,0,0,0|2,0,0]=4 1936 B9R0.2 CC(C)NCCOCC=O 34a_100000224655_200009817547 [0,2,0,0,0,0|1,0,0]=3 1937 B9R0.2 CC(C)NCCOCCF 34a_100000224655_100011217306 [0,2,0,0,0,0|2,0,0]=4 1938 B9R0.2 CC(C)NCCOCCO 2230a_100000211614_100000210206 [0,2,0,0,0,0|1,0,1]=4 1939 B9R0.2 CC(C)NCCOCCO 2230a_100138425928_100011215305 [0,2,0,0,0,0|1,0,1]=4 1940 B9R0.2 CC(C)NCCOCCO 34a_100000211614_100000210206 [0,2,0,0,0,0|1,0,1]=4 1941 B9R0.2 CC(C)NCCOCCO 34a_100000224655_100000211926 [0,2,0,0,0,0|1,0,1]=4 1942 B9R0.2 CC(C)NCCOCCO 34a_100138425928_100000692535 [0,2,0,0,0,0|1,0,1]=4 1943 B9R0.2 CC(C)OCCNCC=O 2230a_100000701111_200015260668 [0,2,0,0,0,0|2,0,0]=4 1944 B9R0.2 CC(C)OCCNCC=O 34a_100000701111_200009817547 [0,2,0,0,0,0|2,0,0]=4 1945 B9R0.2 CC(C)OCCOCC#N 7a_100000211219_100011215382 [0,2,0,0,0,0|2,0,0]=4 1946 B9R0.2 CC(C)OCCOCC=O 34a_100000211219_200009817547 [0,2,0,0,0,0|1,0,0]=3 1947 B9R0.2 CC(C)OCCOCC=O 7a_100000211219_200015260668 [0,2,0,0,0,0|1,0,0]=3 1948 B9R0.2 CC(C)OCCOCCBr 34a_100000211926_100000211751 [0,2,0,0,0,0|2,0,0]=4 1949 B9R0.2 CC(C)OCCOCCBr 34a_100000692535_100000210206 [0,2,0,0,0,0|2,0,0]=4 1950 B9R0.2 CC(C)OCCOCCBr 7a_100000692535_100000210206 [0,2,0,0,0,0|2,0,0]=4 1951 B9R0.2 CC(C)OCCOCCCl 34a_100011215305_100000210206 [0,2,0,0,0,0|2,0,0]=4 1952 B9R0.2 CC(C)OCCOCCCl 7a_100011215305_100000210206 [0,2,0,0,0,0|2,0,0]=4 1953 B9R0.2 CC(C)OCCOCCF 34a_100000211219_100011217306 [0,2,0,0,0,0|2,0,0]=4 1954 B9R0.2 CC(C)OCCOCCF 34a_200015357709_100000210206 [0,2,0,0,0,0|2,0,0]=4 1955 B9R0.2 CC(C)OCCOCCF 7a_100000211219_100011217306 [0,2,0,0,0,0|2,0,0]=4 1956 B9R0.2 CC(C)OCCOCCF 7a_200015357709_100000210206 [0,2,0,0,0,0|2,0,0]=4 1957 B9R0.2 CC(C)OCCOCCI 34a_100012149058_100000210206 [0,2,0,0,0,0|2,0,0]=4 1958 B9R0.2 CC(C)OCCOCCI 7a_100012149058_100000210206 [0,2,0,0,0,0|2,0,0]=4 1959 B9R0.2 CC(C)OCCOCCN 34a_100000210304_100000211751 [0,2,0,0,0,0|2,0,0]=4 1960 B9R0.2 CC(C)OCCOCCN 34a_100000211614_100000210206 [0,2,0,0,0,0|2,0,0]=4 1961 B9R0.2 CC(C)OCCOCCO 34a_100000211219_100000211926 [0,2,0,0,0,0|1,0,1]=4 1962 B9R0.2 CC(C)OCCOCCO 34a_100000212225_100000692535 [0,2,0,0,0,0|1,0,1]=4 1963 B9R0.2 CC(C)OCCOCCO 7a_100000211219_100000211926 [0,2,0,0,0,0|1,0,1]=4 1964 B9R0.2 CC(C)OCCSCC=O 62a_100000211751_200015260668 [0,2,0,0,0,0|1,1,0]=4 1965 B9R0.2 CC(C)OCCSCC=O 62a_200015260668_100000211751 [0,2,0,0,0,0|1,1,0]=4 1966 B9R0.2 CC(C)SCCCCC=O 62a_100000139335_100000210206 [0,2,0,0,0,0|2,0,0]=4 1967 B9R0.2 CC(C)SCCCCC=O 62a_100000210206_100000139335 [0,2,0,0,0,0|2,0,0]=4 1968 B9R0.2 CC(C)SCCNCC=O 2230a_100000731138_200015260668 [0,2,0,0,0,0|2,0,0]=4 1969 B9R0.2 CC(C)SCCNCC=O 34a_100000731138_200009817547 [0,2,0,0,0,0|2,0,0]=4 1970 B9R0.2 CC(C)SCCOCC#N 62a_100000210206_200000047693 [0,2,0,0,0,0|2,0,0]=4 1971 B9R0.2 CC(C)SCCOCC#N 62a_200000047693_100000210206 [0,2,0,0,0,0|2,0,0]=4 1972 B9R0.2 CC(C)SCCOCC#N 7a_200011212901_100011215382 [0,2,0,0,0,0|2,0,0]=4 1973 B9R0.2 CC(C)SCCOCC=O 34a_200011212901_200009817547 [0,2,0,0,0,0|1,0,0]=3 1974 B9R0.2 CC(C)SCCOCC=O 7a_200011212901_200015260668 [0,2,0,0,0,0|1,0,0]=3 1975 B9R0.2 CC(C)SCCOCCBr 34a_100000211926_100000730970 [0,2,0,0,0,0|2,0,0]=4 1976 B9R0.2 CC(C)SCCOCCF 34a_200011212901_100011217306 [0,2,0,0,0,0|2,0,0]=4 1977 B9R0.2 CC(C)SCCOCCF 7a_200011212901_100011217306 [0,2,0,0,0,0|2,0,0]=4 1978 B9R0.2 CC(C)SCCOCCN 34a_100000210304_100000730970 [0,2,0,0,0,0|2,0,0]=4 1979 B9R0.2 CC(C)SCCOCCO 34a_200011212901_100000211926 [0,2,0,0,0,0|1,0,1]=4 1980 B9R0.2 CC(C)SCCOCCO 62a_100000210206_100011215305 [0,2,0,0,0,0|1,0,1]=4 1981 B9R0.2 CC(C)SCCOCCO 62a_100011215305_100000210206 [0,2,0,0,0,0|1,0,1]=4 1982 B9R0.2 CC(C)SCCOCCO 7a_200011212901_100000211926 [0,2,0,0,0,0|1,0,1]=4 1983 B9R0.2 CC(C)SCCSCC=O 62a_100000730970_200015260668 [0,2,0,0,0,0|1,1,0]=4 1984 B9R0.2 CC(C)SCCSCC=O 62a_200015260668_100000730970 [0,2,0,0,0,0|1,1,0]=4 1985 B9R0.2 CC=CCOCCC(C)C 34a_100000210254_100000070051 [0,2,0,0,0,0|2,0,0]=4 1986 B9R0.2 CC=CCOCCC(C)C 7a_100000210254_100000070051 [0,2,0,0,0,0|2,0,0]=4 1987 B9R0.2 CCCCOCCC(C)C 34a_100000210227_100000210312 [0,2,0,0,0,0|2,0,0]=4 1988 B9R0.2 CCCCOCCC(C)C 34a_100000210254_100000210210 [0,2,0,0,0,0|2,0,0]=4 1989 B9R0.2 CCCCOCCC(C)C 7a_100000210227_100000210626 [0,2,0,0,0,0|2,0,0]=4 1990 B9R0.2 CCCCOCCC(C)C 7a_100000210254_100000210211 [0,2,0,0,0,0|2,0,0]=4 1991 B9R0.2 CCCOCCCC(C)C 34a_100000210258_100011214892 [0,2,0,0,0,0|2,0,0]=4 1992 B9R0.2 CCCOCCCC(C)C 34a_100000210774_100000210303 [0,2,0,0,0,0|2,0,0]=4 1993 B9R0.2 CCCOCCCC(C)C 7a_100000210774_100000210303 [0,2,0,0,0,0|2,0,0]=4 1994 B9R0.2 CCCOCCNC(C)C 2230a_100138425928_100011215938 [0,2,0,0,0,0|2,0,0]=4 1995 B9R0.2 CCCOCCNC(C)C 2230a_100161115042_100000210206 [0,2,0,0,0,0|2,0,0]=4 1996 B9R0.2 CCCOCCNC(C)C 34a_100000224655_100000210303 [0,2,0,0,0,0|2,0,0]=4 1997 B9R0.2 CCCOCCNC(C)C 34a_100138425928_100011215938 [0,2,0,0,0,0|2,0,0]=4 1998 B9R0.2 CCCOCCNC(C)C 34a_100161115042_100000210206 [0,2,0,0,0,0|2,0,0]=4 1999 B9R0.2 CCCOCCOC(C)C 34a_100000210258_100000211751 [0,2,0,0,0,0|2,0,0]=4 2000 B9R0.2 CCCOCCOC(C)C 34a_100000211219_100000210303 [0,2,0,0,0,0|2,0,0]=4 2001 B9R0.2 CCCOCCOC(C)C 34a_100000212225_100011215938 [0,2,0,0,0,0|2,0,0]=4 2002 B9R0.2 CCCOCCOC(C)C 34a_100000752267_100000210206 [0,2,0,0,0,0|2,0,0]=4 2003 B9R0.2 CCCOCCOC(C)C 7a_100000211219_100000210303 [0,2,0,0,0,0|2,0,0]=4 2004 B9R0.2 CCCOCCOC(C)C 7a_100000752267_100000210206 [0,2,0,0,0,0|2,0,0]=4 2005 B9R0.2 CCCOCCSC(C)C 34a_100000210258_100000730970 [0,2,0,0,0,0|2,0,0]=4 2006 B9R0.2 CCCOCCSC(C)C 34a_200011212901_100000210303 [0,2,0,0,0,0|2,0,0]=4 2007 B9R0.2 CCCOCCSC(C)C 62a_100000210206_100011215938 [0,2,0,0,0,0|2,0,0]=4 2008 B9R0.2 CCCOCCSC(C)C 62a_100011215938_100000210206 [0,2,0,0,0,0|2,0,0]=4 2009 B9R0.2 CCCOCCSC(C)C 7a_200011212901_100000210303 [0,2,0,0,0,0|2,0,0]=4 2010 B9R0.2 CCOCCCCC(C)C 34a_100011214890_100000210202 [0,2,0,0,0,0|2,0,0]=4 2011 B9R0.2 CCOCCCCC(C)C 34a_100121572206_100011216152 [0,2,0,0,0,0|2,0,0]=4 2012 B9R0.2 CCOCCCCC(C)C 7a_100011214890_100000210202 [0,2,0,0,0,0|2,0,0]=4 2013 B9R0.2 CCOCCCNC(C)C 2230a_100000210961_100000210206 [0,2,0,0,0,0|2,0,0]=4 2014 B9R0.2 CCOCCCNC(C)C 2230a_100138425928_100012232248 [0,2,0,0,0,0|2,0,0]=4 2015 B9R0.2 CCOCCCNC(C)C 34a_100000182298_100000210202 [0,2,0,0,0,0|2,0,0]=4 2016 B9R0.2 CCOCCCNC(C)C 34a_100000210961_100000210206 [0,2,0,0,0,0|2,0,0]=4 2017 B9R0.2 CCOCCCNC(C)C 34a_100138425928_100012232248 [0,2,0,0,0,0|2,0,0]=4 2018 B9R0.2 CCOCCCOC(C)C 34a_100000212225_100012232248 [0,2,0,0,0,0|2,0,0]=4 2019 B9R0.2 CCOCCCOC(C)C 34a_100000757476_100000210206 [0,2,0,0,0,0|2,0,0]=4 2020 B9R0.2 CCOCCCOC(C)C 7a_100000757476_100000210206 [0,2,0,0,0,0|2,0,0]=4 2021 B9R0.2 CCOCCCSC(C)C 62a_100000210206_100012232248 [0,2,0,0,0,0|2,0,0]=4 2022 B9R0.2 CCOCCCSC(C)C 62a_100012232248_100000210206 [0,2,0,0,0,0|2,0,0]=4 2023 B9R0.2 CCOCCNCC(C)C 2230a_100000210953_100011215890 [0,2,0,0,0,0|2,0,0]=4 2024 B9R0.2 CCOCCNCC(C)C 2230a_102516460346_100000210760 [0,2,0,0,0,0|2,0,0]=4 2025 B9R0.2 CCOCCNCC(C)C 270004a_102516460346_100000210432 [0,2,0,0,0,0|2,0,0]=4 2026 B9R0.2 CCOCCNCC(C)C 34a_100000210953_100000210147 [0,2,0,0,0,0|2,0,0]=4 2027 B9R0.2 CCOCCNCC(C)C 34a_100015185251_100000210202 [0,2,0,0,0,0|2,0,0]=4 2028 B9R0.2 CCOCCNCC(C)C 34a_102516460346_100000210624 [0,2,0,0,0,0|2,0,0]=4 2029 B9R0.2 CCOCCOCC(C)C 34a_100000210136_100000210624 [0,2,0,0,0,0|2,0,0]=4 2030 B9R0.2 CCOCCOCC(C)C 34a_100000210257_100000210147 [0,2,0,0,0,0|2,0,0]=4 2031 B9R0.2 CCOCCOCC(C)C 34a_100000703358_100000210202 [0,2,0,0,0,0|2,0,0]=4 2032 B9R0.2 CCOCCOCC(C)C 7a_100000210136_100000210760 [0,2,0,0,0,0|2,0,0]=4 2033 B9R0.2 CCOCCOCC(C)C 7a_100000703358_100000210202 [0,2,0,0,0,0|2,0,0]=4 2034 B9R0.2 CCOCCSCC(C)C 34a_200000230437_100000210202 [0,2,0,0,0,0|2,0,0]=4 2035 B9R0.2 CCOCCSCC(C)C 62a_100000210147_100000210760 [0,2,0,0,0,0|2,0,0]=4 2036 B9R0.2 CCOCCSCC(C)C 62a_100000210624_100011215890 [0,2,0,0,0,0|2,0,0]=4 2037 B9R0.2 CCOCCSCC(C)C 7a_200000230437_100000210202 [0,2,0,0,0,0|2,0,0]=4 2038 B9R0.2 CCOCSCCC(C)C 62a_100000210312_100000739092 [0,2,0,0,0,0|2,0,0]=4 2039 B9R0.2 CCOCSCCC(C)C 62a_100000739092_100000210312 [0,2,0,0,0,0|2,0,0]=4 2040 B9R0.2 CCOCSCOC(C)C 62a_100000709892_100000739092 [0,2,0,0,0,0|2,0,0]=4 2041 B9R0.2 CCOCSCOC(C)C 62a_100000739092_100000709892 [0,2,0,0,0,0|2,0,0]=4 2042 B9R0.2 COCCOCCC(C)C 34a_100000210237_100000210312 [0,2,0,0,0,0|1,0,1]=4 2043 B9R0.2 COCCOCCC(C)C 34a_100000210254_100011201679 [0,2,0,0,0,0|1,0,1]=4 2044 B9R0.2 COCCOCCC(C)C 7a_100000210254_100000233755 [0,2,0,0,0,0|1,0,1]=4 2045 B9R0.2 CSCCOCCC(C)C 34a_100000210254_100000212216 [0,2,0,0,0,0|1,1,0]=4 2046 B9R0.2 CSCCOCCC(C)C 34a_100000230434_100000210312 [0,2,0,0,0,0|1,1,0]=4 2047 B9R0.2 CSCCOCCC(C)C 7a_100000210254_100000212216 [0,2,0,0,0,0|1,1,0]=4 2048 B9R0.2 CSCCOCCC(C)C 7a_100000230434_100000210626 [0,2,0,0,0,0|1,1,0]=4 2049 B9R0.2 CSCOCCCC(C)C 34a_100000210774_100011218213 [0,2,0,0,0,0|1,1,0]=4 2050 B9R0.2 CSCOCCNC(C)C 34a_100000224655_100011218213 [0,2,0,0,0,0|1,1,0]=4 2051 B9R0.2 CSCOCCOC(C)C 34a_100000211219_100011218213 [0,2,0,0,0,0|1,1,0]=4 2052 B9R0.2 CSCOCCSC(C)C 34a_200011212901_100011218213 [0,2,0,0,0,0|1,1,0]=4 2053 B9R0.38 C#CCOCCC(C)(C)C 34a_100000210247_100000755188 [0,2,0,0,0,0|2,0,0]=4 2054 B9R0.38 C#CCOCCC(C)(C)C 7a_100000765024_100000038162 [0,2,0,0,0,0|2,0,0]=4 2055 B9R0.38 C#CCOCCC(C)(C)O 34a_100000210247_100000702414 [0,2,0,0,0,0|2,0,0]=4 2056 B9R0.38 C=CCOCCC(C)(C)C 34a_200000210373_100000755188 [0,2,0,0,0,0|2,0,0]=4 2057 B9R0.38 C=CCOCCC(C)(C)C 7a_100000765024_100015514636 [0,2,0,0,0,0|2,0,0]=4 2058 B9R0.38 C=CCOCCC(C)(C)O 34a_200000210373_100000702414 [0,2,0,0,0,0|2,0,0]=4 2059 B9R0.38 C=COCCNC(C)(C)C 2230a_100000715429_100000039644 [0,2,0,0,0,0|2,0,0]=4 2060 B9R0.38 C=COCCOC(C)(C)C 34a_100000033082_100000210625 [0,2,0,0,0,0|2,0,0]=4 2061 B9R0.38 C=COCCOC(C)(C)C 34a_100015890283_100000039644 [0,2,0,0,0,0|2,0,0]=4 2062 B9R0.38 C=COCCOC(C)(C)C 7a_100015890283_100000039644 [0,2,0,0,0,0|2,0,0]=4 2063 B9R0.38 C=COCCSC(C)(C)C 62a_100000039644_100000211941 [0,2,0,0,0,0|2,0,0]=4 2064 B9R0.38 C=COCCSC(C)(C)C 62a_100000211941_100000039644 [0,2,0,0,0,0|2,0,0]=4 2065 B9R0.38 CC(C)(C)CCNCC=O 2230a_100000738805_200015260668 [0,2,0,0,0,0|2,0,0]=4 2066 B9R0.38 CC(C)(C)CCOCC#N 7a_100000765024_100011215382 [0,2,0,0,0,0|2,0,0]=4 2067 B9R0.38 CC(C)(C)CCOCC=O 7a_100000765024_200015260668 [0,2,0,0,0,0|1,0,0]=3 2068 B9R0.38 CC(C)(C)CCOCCBr 34a_100000211926_100000755188 [0,2,0,0,0,0|2,0,0]=4 2069 B9R0.38 CC(C)(C)CCOCCF 7a_100000765024_100011217306 [0,2,0,0,0,0|2,0,0]=4 2070 B9R0.38 CC(C)(C)CCOCCN 34a_100000210304_100000755188 [0,2,0,0,0,0|2,0,0]=4 2071 B9R0.38 CC(C)(C)CCOCCO 7a_100000765024_100000211926 [0,2,0,0,0,0|1,0,1]=4 2072 B9R0.38 CC(C)(C)CCSCC=O 62a_100000755188_200015260668 [0,2,0,0,0,0|1,1,0]=4 2073 B9R0.38 CC(C)(C)CCSCC=O 62a_200015260668_100000755188 [0,2,0,0,0,0|1,1,0]=4 2074 B9R0.38 CC(C)(C)NCCCC=O 2230a_100000715429_200011292268 [0,2,0,0,0,0|2,0,0]=4 2075 B9R0.38 CC(C)(C)OCCCC=O 7a_100015890283_200011292268 [0,2,0,0,0,0|2,0,0]=4 2076 B9R0.38 CC(C)(C)OCCOCF 34a_100000693234_100015361967 [0,2,0,0,0,0|2,0,0]=4 2077 B9R0.38 CC(C)(C)OCCOCF 7a_100000693234_100015361967 [0,2,0,0,0,0|2,0,0]=4 2078 B9R0.38 CC(C)(C)SCCCC=O 62a_100000211941_200011292268 [0,2,0,0,0,0|2,0,0]=4 2079 B9R0.38 CC(C)(C)SCCCC=O 62a_200011292268_100000211941 [0,2,0,0,0,0|2,0,0]=4 2080 B9R0.38 CC(C)(F)CCNCC=O 2230a_100016253952_200015260668 [0,2,0,0,0,0|2,0,0]=4 2081 B9R0.38 CC(C)(O)CCOCCBr 34a_100000211926_100000702414 [0,2,0,0,0,0|2,0,0]=4 2082 B9R0.38 CC(C)(O)CCOCCN 34a_100000210304_100000702414 [0,2,0,0,0,0|2,0,0]=4 2083 B9R0.38 CC(C)(O)CCSCC=O 62a_100000702414_200015260668 [0,2,0,0,0,0|1,1,0]=4 2084 B9R0.38 CC(C)(O)CCSCC=O 62a_200015260668_100000702414 [0,2,0,0,0,0|1,1,0]=4 2085 B9R0.38 CCCOCCC(C)(C)C 34a_100000210258_100000755188 [0,2,0,0,0,0|2,0,0]=4 2086 B9R0.38 CCCOCCC(C)(C)C 7a_100000765024_100000210303 [0,2,0,0,0,0|2,0,0]=4 2087 B9R0.38 CCCOCCC(C)(C)O 34a_100000210258_100000702414 [0,2,0,0,0,0|2,0,0]=4 2088 B9R0.38 CCOCCCC(C)(C)O 34a_100121572206_100009888830 [0,2,0,0,0,0|2,0,0]=4 2089 B9R0.38 CCOCCNC(C)(C)C 2230a_100000715429_100011215890 [0,2,0,0,0,0|2,0,0]=4 2090 B9R0.38 CCOCCNC(C)(C)C 34a_102516460346_100000210625 [0,2,0,0,0,0|2,0,0]=4 2091 B9R0.38 CCOCCOC(C)(C)C 34a_100000210136_100000210625 [0,2,0,0,0,0|2,0,0]=4 2092 B9R0.38 CCOCCOC(C)(C)C 34a_100000693234_100000210202 [0,2,0,0,0,0|2,0,0]=4 2093 B9R0.38 CCOCCOC(C)(C)C 34a_100015890283_100000210147 [0,2,0,0,0,0|2,0,0]=4 2094 B9R0.38 CCOCCOC(C)(C)C 7a_100000693234_100000210202 [0,2,0,0,0,0|2,0,0]=4 2095 B9R0.38 CCOCCOC(C)(C)C 7a_100015890283_100011215890 [0,2,0,0,0,0|2,0,0]=4 2096 B9R0.38 CCOCCSC(C)(C)C 62a_100000210147_100000211941 [0,2,0,0,0,0|2,0,0]=4 2097 B9R0.38 CCOCCSC(C)(C)C 62a_100000211941_100011215890 [0,2,0,0,0,0|2,0,0]=4 2098 B9R0.38 CCOCSCC(C)(C)C 62a_100000739092_100011219605 [0,2,0,0,0,0|2,0,0]=4 2099 B9R0.38 CCOCSCC(C)(C)C 62a_100011219605_100000739092 [0,2,0,0,0,0|2,0,0]=4 2100 B9R0.38 CCOCSCC(C)(C)F 62a_100000739092_100011997219 [0,2,0,0,0,0|2,0,0]=4 2101 B9R0.38 CCOCSCC(C)(C)F 62a_100011997219_100000739092 [0,2,0,0,0,0|2,0,0]=4 2102 B9R0.38 CCOCSCC(C)(C)O 62a_100000739092_100000764493 [0,2,0,0,0,0|2,0,0]=4 2103 B9R0.38 CCOCSCC(C)(C)O 62a_100000764493_100000739092 [0,2,0,0,0,0|2,0,0]=4 2104 B9R0.38 C[N+](C)(C)CCOCC=O 7a_200020618287_200015260668 [0,2,0,0,0,0|2,0,0]=4 2105 B9R0.38 C[Si](C)(C)CCOCC=O 7a_100000039746_200015260668 [0,2,0,0,0,0|1,1,0]=4 2106 B9R0.48 CC(C)CCC(C)OCF 34a_100011215350_100015361967 [0,2,0,0,0,0|2,0,0]=4 2107 B9R0.48 CC(C)CCC(C)OCF 7a_100011215350_100015361967 [0,2,0,0,0,0|2,0,0]=4 2108 B9R0.48 CC(C)CCN(C)CC=O 2230a_100000742789_200015260668 [0,2,0,0,0,0|2,0,0]=4 2109 B9R0.48 CC(C)CCN(C)CC=O 269982a_100000742789_200015260668 [0,2,0,0,0,0|2,0,0]=4 2110 B9R0.48 CCOC(C)CCC(C)C 34a_100011215350_100000210202 [0,2,0,0,0,0|2,0,0]=4 2111 B9R0.48 CCOC(C)CCC(C)C 34a_100121572206_100011261404 [0,2,0,0,0,0|2,0,0]=4 2112 B9R0.48 CCOC(C)CCC(C)C 7a_100011215350_100000210202 [0,2,0,0,0,0|2,0,0]=4 2113 B9R0.55 C=C(C)COCCC(C)C 34a_100000210245_100000210312 [0,2,0,0,0,0|2,0,0]=4 2114 B9R0.55 C=C(C)COCCC(C)C 34a_100000210254_100000748629 [0,2,0,0,0,0|2,0,0]=4 2115 B9R0.55 C=C(C)COCCC(C)C 7a_100000210254_100000748629 [0,2,0,0,0,0|2,0,0]=4 2116 B9R0.55 C=C(F)COCCC(C)C 34a_100000210254_100009893438 [0,2,0,0,0,0|2,0,0]=4 2117 B9R0.55 C=C(F)COCCC(C)C 34a_200010262243_100000210312 [0,2,0,0,0,0|2,0,0]=4 2118 B9R0.55 C=C(F)COCCC(C)C 7a_100000210254_100000042424 [0,2,0,0,0,0|2,0,0]=4 2119 B9R0.55 CC(=O)CCCCC(C)C 1458a_100000070787_100011216152 [0,2,0,0,0,0|2,0,0]=4 2120 B9R0.55 CC(=O)CCCCC(C)C 1458a_100011933920_200000210301 [0,2,0,0,0,0|2,0,0]=4 2121 B9R0.55 CC(=O)CCCNC(C)C 34a_100138425928_100000685027 [0,2,0,0,0,0|2,0,0]=4 2122 B9R0.55 CC(=O)CCCOC(C)C 34a_100000212225_100000685027 [0,2,0,0,0,0|2,0,0]=4 2123 B9R0.55 CC(=O)CCCOC(C)C 34a_100000759063_100000210206 [0,2,0,0,0,0|2,0,0]=4 2124 B9R0.55 CC(=O)CCCOC(C)C 7a_100000759063_100000210206 [0,2,0,0,0,0|2,0,0]=4 2125 B9R0.55 CC(=O)CCCSC(C)C 62a_100000210206_100011215641 [0,2,0,0,0,0|2,0,0]=4 2126 B9R0.55 CC(=O)CCCSC(C)C 62a_100011215641_100000210206 [0,2,0,0,0,0|2,0,0]=4 2127 B9R0.55 CC(=O)CCOCC(C)C 34a_100000759926_100000210624 [0,2,0,0,0,0|2,0,0]=4 2128 B9R0.55 CC(=O)CCOCC(C)C 7a_100000759926_100000210760 [0,2,0,0,0,0|2,0,0]=4 2129 B9R0.55 CC(=O)CCSCC(C)C 62a_100000053229_100000210760 [0,2,0,0,0,0|2,0,0]=4 2130 B9R0.55 CC(=O)CCSCC(C)C 62a_100000210624_100000053229 [0,2,0,0,0,0|2,0,0]=4 2131 B9R0.55 CC(=O)COCCC(C)C 34a_100000211253_100000210312 [0,2,0,0,0,0|1,0,0]=3 2132 B9R0.55 CC(=O)COCCC(C)O 34a_100000211253_100012276601 [0,2,0,0,0,0|2,0,0]=4 2133 B9R0.55 CC(=O)COCOC(C)C 34a_100000211253_100000709892 [0,2,0,0,0,0|2,0,0]=4 2134 B9R0.55 CC(=O)NCCCC(C)C 11a_200000737386_100015343762 [0,2,0,0,0,0|1,0,1]=4 2135 B9R0.55 CC(=O)NCCCC(C)C 1626a_200000737386_100015343762 [0,2,0,0,0,0|1,0,1]=4 2136 B9R0.55 CC(=O)NCCCC(C)C 240690a_200000737386_100015343762 [0,2,0,0,0,0|1,0,1]=4 2137 B9R0.55 CC(=O)NCCCC(C)C 527a_200000737386_100103153847 [0,2,0,0,0,0|1,0,1]=4 2138 B9R0.55 CC(=O)NCCNC(C)C 2230a_100000209853_100000210206 [0,2,0,0,0,0|2,0,0]=4 2139 B9R0.55 CC(=O)NCCNC(C)C 2230a_100138425928_100000189650 [0,2,0,0,0,0|2,0,0]=4 2140 B9R0.55 CC(=O)NCCOC(C)C 11a_100000701111_100015343762 [0,2,0,0,0,0|2,0,0]=4 2141 B9R0.55 CC(=O)NCCOC(C)C 1626a_100000701111_100015343762 [0,2,0,0,0,0|2,0,0]=4 2142 B9R0.55 CC(=O)NCCOC(C)C 240690a_100000701111_100015343762 [0,2,0,0,0,0|2,0,0]=4 2143 B9R0.55 CC(=O)NCCOC(C)C 34a_100000158858_100000210206 [0,2,0,0,0,0|2,0,0]=4 2144 B9R0.55 CC(=O)NCCOC(C)C 527a_100000701111_100103153847 [0,2,0,0,0,0|2,0,0]=4 2145 B9R0.55 CC(=O)NCCSC(C)C 11a_100000731138_100015343762 [0,2,0,0,0,0|2,0,0]=4 2146 B9R0.55 CC(=O)NCCSC(C)C 1626a_100000731138_100015343762 [0,2,0,0,0,0|2,0,0]=4 2147 B9R0.55 CC(=O)NCCSC(C)C 240690a_100000731138_100015343762 [0,2,0,0,0,0|2,0,0]=4 2148 B9R0.55 CC(=O)NCCSC(C)C 527a_100000731138_100103153847 [0,2,0,0,0,0|2,0,0]=4 2149 B9R0.55 CC(=O)NCCSC(C)C 62a_100000189650_100000210206 [0,2,0,0,0,0|2,0,0]=4 2150 B9R0.55 CC(=O)NCCSC(C)C 62a_100000210206_100000189650 [0,2,0,0,0,0|2,0,0]=4 2151 B9R0.55 CC(=O)OCCCN(C)C 269982a_100102631434_100000042594 [0,2,0,0,0,0|2,0,0]=4 2152 B9R0.55 CC(=O)OCCNC(C)C 34a_100138425928_100009814007 [0,2,0,0,0,0|1,0,0]=3 2153 B9R0.55 CC(=O)OCCOC(C)C 34a_100000212225_100009814007 [0,2,0,0,0,0|1,0,0]=3 2154 B9R0.55 CC(=O)OCCSC(C)C 62a_100000210206_100009814007 [0,2,0,0,0,0|1,0,0]=3 2155 B9R0.55 CC(=O)OCCSC(C)C 62a_100009814007_100000210206 [0,2,0,0,0,0|1,0,0]=3 2156 B9R0.55 CC(=O)OCNCC(C)C 34a_100000210953_100009813279 [0,2,0,0,0,0|1,0,0]=3 2157 B9R0.55 CC(=O)OCNCC(C)O 34a_100000210904_100009813279 [0,2,0,0,0,0|2,0,0]=4 2158 B9R0.55 CC(=O)OCOCC(C)Br 34a_100012180447_100009813279 [0,2,0,0,0,0|2,0,0]=4 2159 B9R0.55 CC(=O)OCOCC(C)C 34a_100000210257_100009813279 [0,2,0,0,0,0|1,0,0]=3 2160 B9R0.55 CC(=O)OCOCC(C)F 34a_100015925927_100009813279 [0,2,0,0,0,0|2,0,0]=4 2161 B9R0.55 CC(=O)OCOC[C@@H](C)Cl 34a_100016084084_100009813279 [0,2,0,0,0,0|2,0,0]=4 2162 B9R0.55 CC(=O)OCOC[C@@H](C)N 34a_100000737577_100009813279 [0,2,0,0,0,0|2,0,0]=4 2163 B9R0.55 CC(=O)OCSCC(C)C 62a_100000076356_100000210760 [0,2,0,0,0,0|1,0,0]=3 2164 B9R0.55 CC(=O)OCSCC(C)C 62a_100000210624_100000076356 [0,2,0,0,0,0|1,0,0]=3 2165 B9R0.55 CC(=O)OCSCC(C)O 62a_100000076356_100011218427 [0,2,0,0,0,0|2,0,0]=4 2166 B9R0.55 CC(=O)OCSCC(C)O 62a_100011218427_100000076356 [0,2,0,0,0,0|2,0,0]=4 2167 B9R0.55 CC(=O)OCSC[C@@H](C)O 62a_100000076356_100009817552 [0,2,0,0,0,0|2,0,0]=4 2168 B9R0.55 CC(=O)OCSC[C@@H](C)O 62a_100009817552_100000076356 [0,2,0,0,0,0|2,0,0]=4 2169 B9R0.55 CC(Br)CCOCC(=O)N 34a_100009893172_100000187820 [0,2,0,0,0,0|2,0,0]=4 2170 B9R0.55 CC(Br)CCOCC(=O)[O-] 34a_100009893172_100020667443 [0,2,0,0,0,0|2,0,0]=4 2171 B9R0.55 CC(Br)CCOC[N+](=O)[O-] 34a_100009893172_100000761209 [0,2,0,0,0,0|1,0,1]=4 2172 B9R0.55 CC(C)CCCCC(=O)[13CH3] 1458a_100011933920_200025704644 [0,2,0,0,0,0|2,0,0]=4 2173 B9R0.55 CC(C)CCCOC(C)C 34a_100000210774_100000210206 [0,2,0,0,0,0|2,0,0]=4 2174 B9R0.55 CC(C)CCCOC(C)C 34a_100000212225_100011214892 [0,2,0,0,0,0|2,0,0]=4 2175 B9R0.55 CC(C)CCCOC(C)C 7a_100000210774_100000210206 [0,2,0,0,0,0|2,0,0]=4 2176 B9R0.55 CC(C)CCNCC(=O)N 2230a_100000711301_100000210312 [0,2,0,0,0,0|2,0,0]=4 2177 B9R0.55 CC(C)CCNCC(=O)O 269956a_100016091260_100000210312 [0,2,0,0,0,0|2,0,0]=4 2178 B9R0.55 CC(C)CCOCC(=O)N 34a_100000210254_100000187820 [0,2,0,0,0,0|1,0,0]=3 2179 B9R0.55 CC(C)CCOCC(=O)N 7a_100000210254_100000187820 [0,2,0,0,0,0|1,0,0]=3 2180 B9R0.55 CC(C)CCOCC(=O)[O-] 34a_100000210254_100020667443 [0,2,0,0,0,0|1,0,0]=3 2181 B9R0.55 CC(C)CCOCC(C)Br 34a_100012180447_100000210312 [0,2,0,0,0,0|2,0,0]=4 2182 B9R0.55 CC(C)CCOCC(C)C 34a_100000210254_100000210624 [0,2,0,0,0,0|2,0,0]=4 2183 B9R0.55 CC(C)CCOCC(C)C 34a_100000210257_100000210312 [0,2,0,0,0,0|2,0,0]=4 2184 B9R0.55 CC(C)CCOCC(C)C 7a_100000210254_100000210760 [0,2,0,0,0,0|2,0,0]=4 2185 B9R0.55 CC(C)CCOCC(C)F 34a_100015925927_100000210312 [0,2,0,0,0,0|2,0,0]=4 2186 B9R0.55 CC(C)CCOCC(C)O 34a_100000210254_100011218427 [0,2,0,0,0,0|1,0,1]=4 2187 B9R0.55 CC(C)CCOCC(C)O 7a_100000210254_100011218427 [0,2,0,0,0,0|1,0,1]=4 2188 B9R0.55 CC(C)CCOCC(F)F 34a_100000210254_100011934356 [0,2,0,0,0,0|2,0,0]=4 2189 B9R0.55 CC(C)CCOCC(F)F 34a_100000743014_100000210312 [0,2,0,0,0,0|2,0,0]=4 2190 B9R0.55 CC(C)CCOCC(F)F 7a_100000210254_100011934356 [0,2,0,0,0,0|2,0,0]=4 2191 B9R0.55 CC(C)CCOC[C@@H](C)Cl 34a_100016084084_100000210312 [0,2,0,0,0,0|2,0,0]=4 2192 B9R0.55 CC(C)CCOC[C@@H](C)N 34a_100000737577_100000210312 [0,2,0,0,0,0|2,0,0]=4 2193 B9R0.55 CC(C)CCOC[C@@H](C)O 34a_100000210254_100009817552 [0,2,0,0,0,0|1,0,1]=4 2194 B9R0.55 CC(C)CCOC[C@@H](C)O 7a_100000210254_100009817552 [0,2,0,0,0,0|1,0,1]=4 2195 B9R0.55 CC(C)CCOC[N+](=O)[O-] 34a_100000210254_100000761209 [0,2,0,0,0,0|0,0,1]=3 2196 B9R0.55 CC(C)CCSCC(=O)N 62a_100000210312_100000747473 [0,2,0,0,0,0|1,1,0]=4 2197 B9R0.55 CC(C)CCSCC(=O)N 62a_100000747473_100000210312 [0,2,0,0,0,0|1,1,0]=4 2198 B9R0.55 CC(C)CCSCC(=O)[O-] 62a_100000210312_100020667443 [0,2,0,0,0,0|1,1,0]=4 2199 B9R0.55 CC(C)CCSCC(=O)[O-] 62a_100020667443_100000210312 [0,2,0,0,0,0|1,1,0]=4 2200 B9R0.55 CC(C)CCSC[N+](=O)[O-] 62a_100000210312_100000761209 [0,2,0,0,0,0|0,1,1]=4 2201 B9R0.55 CC(C)CNCCC(=O)N 2230a_100000210953_100000744528 [0,2,0,0,0,0|2,0,0]=4 2202 B9R0.55 CC(C)CNCCC(=O)N 34a_100000210953_100000731001 [0,2,0,0,0,0|2,0,0]=4 2203 B9R0.55 CC(C)CNCOC(C)C 2230a_100000210953_100000709892 [0,2,0,0,0,0|2,0,0]=4 2204 B9R0.55 CC(C)CNCOC(C)C 34a_100000210953_100000709892 [0,2,0,0,0,0|2,0,0]=4 2205 B9R0.55 CC(C)CNOCC(=O)O 269956a_100000106656_100000210760 [0,2,0,0,0,0|2,0,0]=4 2206 B9R0.55 CC(C)COCCC(=O)N 34a_100000210257_100000731001 [0,2,0,0,0,0|2,0,0]=4 2207 B9R0.55 CC(C)COCCC(=O)N 34a_100000757172_100000210624 [0,2,0,0,0,0|2,0,0]=4 2208 B9R0.55 CC(C)COCCC(=O)N 7a_100000757172_100000210760 [0,2,0,0,0,0|2,0,0]=4 2209 B9R0.55 CC(C)COCOC(C)C 34a_100000210257_100000709892 [0,2,0,0,0,0|2,0,0]=4 2210 B9R0.55 CC(C)CSCCC(=O)N 62a_100000210624_100000744528 [0,2,0,0,0,0|2,0,0]=4 2211 B9R0.55 CC(C)CSCCC(=O)N 62a_100000744528_100000210760 [0,2,0,0,0,0|2,0,0]=4 2212 B9R0.55 CC(C)CSCOC(C)C 62a_100000210624_100000709892 [0,2,0,0,0,0|2,0,0]=4 2213 B9R0.55 CC(C)CSCOC(C)C 62a_100000709892_100000210760 [0,2,0,0,0,0|2,0,0]=4 2214 B9R0.55 CC(C)NCCCC(=O)N 34a_100000739312_100000210206 [0,2,0,0,0,0|2,0,0]=4 2215 B9R0.55 CC(C)NCCCC(=O)N 34a_100138425928_100102525003 [0,2,0,0,0,0|2,0,0]=4 2216 B9R0.55 CC(C)NCCCS(=O)C 2230a_200000753449_100000210206 [0,2,0,0,0,0|2,0,0]=4 2217 B9R0.55 CC(C)NCCNC(=O)N 2230a_100138425928_200000034859 [0,2,0,0,0,0|2,0,0]=4 2218 B9R0.55 CC(C)NCCNC(=O)N 34a_100020590234_100000210206 [0,2,0,0,0,0|2,0,0]=4 2219 B9R0.55 CC(C)NCCOC(=O)N 34a_100138425928_200011214921 [0,2,0,0,0,0|1,0,0]=3 2220 B9R0.55 CC(C)NCCOC(C)C 2230a_100000701111_100000210206 [0,2,0,0,0,0|2,0,0]=4 2221 B9R0.55 CC(C)NCCOC(C)C 2230a_100138425928_100000211751 [0,2,0,0,0,0|2,0,0]=4 2222 B9R0.55 CC(C)NCCOC(C)C 34a_100000224655_100000210206 [0,2,0,0,0,0|2,0,0]=4 2223 B9R0.55 CC(C)NCCOC(C)C 34a_100000701111_100000210206 [0,2,0,0,0,0|2,0,0]=4 2224 B9R0.55 CC(C)NCCOC(C)C 34a_100138425928_100000211751 [0,2,0,0,0,0|2,0,0]=4 2225 B9R0.55 CC(C)OCCCC(=O)N 34a_100000212225_100102525003 [0,2,0,0,0,0|2,0,0]=4 2226 B9R0.55 CC(C)OCCC[N+](=O)[O-] 34a_200000037920_100000210206 [0,2,0,0,0,0|1,0,1]=4 2227 B9R0.55 CC(C)OCCNC(=O)N 34a_100000181757_100000210206 [0,2,0,0,0,0|2,0,0]=4 2228 B9R0.55 CC(C)OCCOC(=O)N 34a_100000212225_200011214921 [0,2,0,0,0,0|1,0,0]=3 2229 B9R0.55 CC(C)OCCOC(=O)N 7a_100000766696_100000210206 [0,2,0,0,0,0|1,0,0]=3 2230 B9R0.55 CC(C)OCCOC(C)C 34a_100000211219_100000210206 [0,2,0,0,0,0|2,0,0]=4 2231 B9R0.55 CC(C)OCCOC(C)C 34a_100000212225_100000211751 [0,2,0,0,0,0|2,0,0]=4 2232 B9R0.55 CC(C)OCCOC(C)C 7a_100000211219_100000210206 [0,2,0,0,0,0|2,0,0]=4 2233 B9R0.55 CC(C)OCCSC(C)C 34a_100000212225_100000730970 [0,2,0,0,0,0|2,0,0]=4 2234 B9R0.55 CC(C)OCCSC(C)C 34a_200011212901_100000210206 [0,2,0,0,0,0|2,0,0]=4 2235 B9R0.55 CC(C)OCCSC(C)C 62a_100000210206_100000211751 [0,2,0,0,0,0|2,0,0]=4 2236 B9R0.55 CC(C)OCCSC(C)C 62a_100000211751_100000210206 [0,2,0,0,0,0|2,0,0]=4 2237 B9R0.55 CC(C)OCCSC(C)C 7a_200011212901_100000210206 [0,2,0,0,0,0|2,0,0]=4 2238 B9R0.55 CC(C)SCCCC(=O)N 62a_100000210206_100102525003 [0,2,0,0,0,0|2,0,0]=4 2239 B9R0.55 CC(C)SCCCC(=O)N 62a_100102525003_100000210206 [0,2,0,0,0,0|2,0,0]=4 2240 B9R0.55 CC(C)SCCNC(=O)N 62a_100000210206_200000034859 [0,2,0,0,0,0|2,0,0]=4 2241 B9R0.55 CC(C)SCCNC(=O)N 62a_200000034859_100000210206 [0,2,0,0,0,0|2,0,0]=4 2242 B9R0.55 CC(C)SCCOC(=O)N 62a_100000210206_200011214921 [0,2,0,0,0,0|1,0,0]=3 2243 B9R0.55 CC(C)SCCOC(=O)N 62a_200011214921_100000210206 [0,2,0,0,0,0|1,0,0]=3 2244 B9R0.55 CN(C)CCOCC(=O)N 2230a_100102631434_100000076697 [0,2,0,0,0,0|2,0,0]=4 2245 B9R0.55 CN(C)CCOCC(=O)N 269982a_100102631434_100000076697 [0,2,0,0,0,0|2,0,0]=4 2246 B9R0.55 C[C@@H](N)CCOCC(=O)N 34a_100000706166_100000187820 [0,2,0,0,0,0|2,0,0]=4 2247 B9R0.55 C[C@@H](N)CCOCC(=O)[O-] 34a_100000706166_100020667443 [0,2,0,0,0,0|2,0,0]=4 2248 B9R0.55 C[C@@H](N)CCOC[N+](=O)[O-] 34a_100000706166_100000761209 [0,2,0,0,0,0|1,0,1]=4 2249 B9R0.7 CC(=O)C(C)CCC(C)C 1458a_100000070787_100011261404 [0,2,0,0,0,0|2,0,0]=4 2250 B9R0.7 CC(=O)N(C)CCC(C)C 11a_100000742789_100015343762 [0,2,0,0,0,0|2,0,0]=4 2251 B9R0.7 CC(=O)N(C)CCC(C)C 1626a_100000742789_100015343762 [0,2,0,0,0,0|2,0,0]=4 2252 B9R0.7 CC(=O)N(C)CCC(C)C 240690a_100000742789_100015343762 [0,2,0,0,0,0|2,0,0]=4 2253 B9R0.7 CC(=O)N(C)CCC(C)C 527a_100000742789_100103153847 [0,2,0,0,0,0|2,0,0]=4 2254 B9R0.7 CC(=O)NCC(O)C(C)C 11a_100000759067_100015343762 [0,2,0,0,0,0|2,0,0]=4 2255 B9R0.7 CC(=O)NCC(O)C(C)C 240690a_100000759067_100015343762 [0,2,0,0,0,0|2,0,0]=4 2256 B9R0.7 CC(=O)NCC(O)C(C)C 527a_100000759067_100103153847 [0,2,0,0,0,0|2,0,0]=4 2257 B9R0.7 CC(=O)OCC(=O)C(C)C 1458a_100000183556_100000210206 [0,2,0,0,0,0|1,0,1]=4 2258 B9R0.7 CC(=O)OCC(C)N(C)C 270004a_100102631434_100000000629 [0,2,0,0,0,0|2,0,0]=4 2259 B9R0.7 CC(=O)OCN(C)C(C)C 269982a_200000211004_100000076356 [0,2,0,0,0,0|2,0,0]=4 2260 B9R0.7 CC(C)OC[C@H](N)C(C)C 34a_100011830312_100000210206 [0,2,0,0,0,0|2,0,0]=4 2261 B9R0.13 CC(C)C(CN)COCF 34a_100000692819_100015361967 [0,2,0,0,0,0|2,0,0]=4 2262 B9R0.13 CCC(COCF)C(C)C 34a_100011995916_100015361967 [0,2,0,0,0,0|2,0,0]=4 2263 B9R0.13 CCC(COCF)C(C)C 7a_100011995916_100015361967 [0,2,0,0,0,0|2,0,0]=4 2264 B9R0.13 CCOCC(CC)C(C)C 34a_100011995916_100000210202 [0,2,0,0,0,0|2,0,0]=4 2265 B9R0.13 CCOCC(CC)C(C)C 7a_100011995916_100000210202 [0,2,0,0,0,0|2,0,0]=4 2266 B9R0.13 CCOCC(CN)C(C)C 34a_100000692819_100000210202 [0,2,0,0,0,0|2,0,0]=4 2267 B9R0.56 CC(=O)NCCC(C)(C)C 11a_100000738805_100015343762 [0,2,0,0,0,0|2,0,0]=4 2268 B9R0.56 CC(=O)NCCC(C)(C)C 1626a_100000738805_100015343762 [0,2,0,0,0,0|2,0,0]=4 2269 B9R0.56 CC(=O)NCCC(C)(C)C 240690a_100000738805_100015343762 [0,2,0,0,0,0|2,0,0]=4 2270 B9R0.56 CC(=O)NCCC(C)(C)C 527a_100000738805_100103153847 [0,2,0,0,0,0|2,0,0]=4 2271 B9R0.56 CC(=O)NCCC(C)(C)F 11a_100016253952_100015343762 [0,2,0,0,0,0|2,0,0]=4 2272 B9R0.56 CC(=O)NCCC(C)(C)F 1626a_100016253952_100015343762 [0,2,0,0,0,0|2,0,0]=4 2273 B9R0.56 CC(=O)NCCC(C)(C)F 240690a_100016253952_100015343762 [0,2,0,0,0,0|2,0,0]=4 2274 B9R0.56 CC(=O)NCCC(C)(C)F 527a_100016253952_100103153847 [0,2,0,0,0,0|2,0,0]=4 2275 B9R0.56 CC(=O)NCCC(C)(C)O 1626a_100000707701_100015343762 [0,2,0,0,0,0|2,0,0]=4 2276 B9R0.56 CC(=O)NCCC(C)(C)O 527a_100000707701_100103153847 [0,2,0,0,0,0|2,0,0]=4 2277 B9R0.56 CC(=O)OCOC(C)(C)C 34a_100015890283_100009813279 [0,2,0,0,0,0|2,0,0]=4 2278 B9R0.56 CC(=O)OCSC(C)(C)C 62a_100000076356_100000211941 [0,2,0,0,0,0|2,0,0]=4 2279 B9R0.56 CC(=O)OCSC(C)(C)C 62a_100000211941_100000076356 [0,2,0,0,0,0|2,0,0]=4 2280 B9R0.56 CC(C)CCNS(=O)(=O)C 40a_100000210545_100000738038 [0,2,0,0,0,0|2,0,0]=4 2281 B9R0.56 CC(C)CCOC(C)(C)C 34a_100000210254_100000210625 [0,2,0,0,0,0|2,0,0]=4 2282 B9R0.56 CC(C)CCOC(C)(C)C 34a_100015890283_100000210312 [0,2,0,0,0,0|2,0,0]=4 2283 B9R0.56 CC(C)CCOC(C)(C)C 7a_100015890283_100000210626 [0,2,0,0,0,0|2,0,0]=4 2284 B9R0.56 CC(C)CCOC(F)(F)F 34a_100000210254_200103152311 [0,2,0,0,0,0|2,0,0]=4 2285 B9R0.56 CC(C)CCOC(F)(F)F 7a_100000210254_200000243211 [0,2,0,0,0,0|2,0,0]=4 2286 B9R0.56 CC(C)OCCC(C)(C)C 34a_100000212225_100000755188 [0,2,0,0,0,0|2,0,0]=4 2287 B9R0.56 CC(C)OCCC(C)(C)C 7a_100000765024_100000210206 [0,2,0,0,0,0|2,0,0]=4 2288 B9R0.56 CC(C)OCCC(C)(C)O 34a_100000212225_100000702414 [0,2,0,0,0,0|2,0,0]=4 2289 B9R0.56 CN(C)CCOS(=O)(=O)C 2230a_100102631434_200000036756 [0,2,0,0,0,0|2,0,0]=4 2290 B9R0.56 CN(C)CCOS(=O)(=O)C 269982a_100102631434_200000036756 [0,2,0,0,0,0|2,0,0]=4 2291 B7R1.2 C[C@@H]1CCN(C1)C 2230a_100016987628_200000210301 [1,0,0,1,0,0|1,0,1]=4 2292 B7R1.2 C[C@@H]1CCN(C1)C 269982a_100016987628_200000210301 [1,0,0,1,0,0|1,0,1]=4 2293 B7R1.2 C[C@@H]1CCN(C1)C 34a_100016987628_200000210301 [1,0,0,1,0,0|1,0,1]=4 2294 B7R1.2 C[C@@H]1CCN(C1)[13CH3] 2230a_100016987628_200025704644 [1,0,0,1,0,0|1,0,1]=4 2295 B7R1.2 C[C@@H]1CCN(C1)[13CH3] 269982a_100016987628_200025704644 [1,0,0,1,0,0|1,0,1]=4 2296 B7R1.2 C[C@@H]1CCN(C1)[13CH3] 34a_100016987628_200025704644 [1,0,0,1,0,0|1,0,1]=4 2297 B7R1.3 CN1CCOCC1 2230a_100015191051_200000210301 [1,0,0,1,0,0|2,0,0]=4 2298 B7R1.3 CN1CCOCC1 269982a_100015191051_200000210301 [1,0,0,1,0,0|2,0,0]=4 2299 B7R1.3 CN1CCOCC1 34a_100015191051_200000210301 [1,0,0,1,0,0|2,0,0]=4 2300 B7R1.3 [13CH3]N1CCOCC1 2230a_100015191051_200025704644 [1,0,0,1,0,0|2,0,0]=4 2301 B7R1.3 [13CH3]N1CCOCC1 269982a_100015191051_200025704644 [1,0,0,1,0,0|2,0,0]=4 2302 B7R1.3 [13CH3]N1CCOCC1 34a_100015191051_200025704644 [1,0,0,1,0,0|2,0,0]=4 2303 B7R1.5 CC1CC1CO[13CH3] 34a_100000744939_200025704644 [1,0,0,1,0,0|1,0,0]=3 2304 B7R1.5 CC1CC1CO[13CH3] 7a_100000744939_200025704644 [1,0,0,1,0,0|1,0,0]=3 2305 B7R1.5 COCC1CC1C 34a_100000744939_200000210301 [1,0,0,1,0,0|1,0,0]=3 2306 B7R1.5 COCC1CC1C 7a_100000744939_200000210301 [1,0,0,1,0,0|1,0,0]=3 2307 B7R1.7 CCOCC1CC1 34a_100000211283_100000210202 [1,0,0,1,0,0|2,0,0]=4 2308 B7R1.7 CCOCC1CC1 34a_100121572206_100000742324 [1,0,0,1,0,0|2,0,0]=4 2309 B7R1.7 CNCCC1CC1 2230a_106832991635_100000694398 [1,0,0,1,0,0|1,0,1]=4 2310 B7R1.7 CNCCC1CC1 34a_100000764129_200000210301 [1,0,0,1,0,0|1,0,1]=4 2311 B7R1.7 CNCCC1CC1 34a_100102657272_100000694398 [1,0,0,1,0,0|1,0,1]=4 2312 B7R1.7 CNCCC1CC1 7a_106832991635_100000764125 [1,0,0,1,0,0|1,0,1]=4 2313 B7R1.7 COCCC1CC1 34a_100000754188_200000210301 [1,0,0,1,0,0|1,0,0]=3 2314 B7R1.7 COCCC1CC1 34a_100138415774_100000694398 [1,0,0,1,0,0|1,0,0]=3 2315 B7R1.7 COCCC1CC1 7a_100000754188_200000210301 [1,0,0,1,0,0|1,0,0]=3 2316 B7R1.7 COCCC1CO1 34a_100138415774_100000732470 [1,0,0,1,0,0|2,0,0]=4 2317 B7R1.7 COCC[C@@H]1CO1 34a_100009820653_200000210301 [1,0,0,1,0,0|2,0,0]=4 2318 B7R1.7 COCSC1CC1 62a_100000766300_100000211595 [1,0,0,1,0,0|2,0,0]=4 2319 B7R1.7 CSCCC1CC1 62a_100000764125_200000210301 [1,0,0,1,0,0|1,1,0]=4 2320 B7R1.7 CSCCC1CC1 62a_200000210301_100000764125 [1,0,0,1,0,0|1,1,0]=4 2321 B7R1.7 FCOCC1CC1 34a_100000211283_100015361967 [1,0,0,1,0,0|2,0,0]=4 2322 B7R1.7 O=CCNC1CC1 34a_100000212008_200009817547 [1,0,0,1,0,0|2,0,0]=4 2323 B7R1.7 O=CCSC1CC1 62a_200015260668_100000211595 [1,0,0,1,0,0|2,0,0]=4 2324 B7R1.7 [13CH3]NCCC1CC1 34a_100000764129_200025704644 [1,0,0,1,0,0|1,0,1]=4 2325 B7R1.7 [13CH3]OCCC1CC1 34a_100000754188_200025704644 [1,0,0,1,0,0|1,0,0]=3 2326 B7R1.7 [13CH3]OCCC1CC1 7a_100000754188_200025704644 [1,0,0,1,0,0|1,0,0]=3 2327 B7R1.7 [13CH3]OCC[C@@H]1CO1 34a_100009820653_200025704644 [1,0,0,1,0,0|2,0,0]=4 2328 B7R1.7 [13CH3]SCCC1CC1 62a_100000764125_200025704644 [1,0,0,1,0,0|1,1,0]=4 2329 B7R1.7 [13CH3]SCCC1CC1 62a_200025704644_100000764125 [1,0,0,1,0,0|1,1,0]=4 2330 B7R1.10 COC1CN(C1)C 269982a_100000755009_200000210301 [1,0,0,1,0,0|2,0,0]=4 2331 B7R1.10 COC1CN(C1)[13CH3] 269982a_100000755009_200025704644 [1,0,0,1,0,0|2,0,0]=4 2332 B7R1.18 CN(C)C1COC1 2230a_100102693430_200000210301 [1,0,0,1,0,0|2,0,0]=4 2333 B7R1.18 CN(C)C1COC1 269982a_100102631434_100000687716 [1,0,0,1,0,0|2,0,0]=4 2334 B7R1.18 CN(C)C1COC1 269982a_100102693430_200000210301 [1,0,0,1,0,0|2,0,0]=4 2335 B7R1.18 CN([13CH3])C1COC1 2230a_100102693430_200025704644 [1,0,0,1,0,0|2,0,0]=4 2336 B7R1.18 CN([13CH3])C1COC1 269982a_100102693430_200025704644 [1,0,0,1,0,0|2,0,0]=4 2337 B7R1.20 CN(C)CC1CO1 2230a_100102631434_100011216344 [1,0,0,1,0,0|2,0,0]=4 2338 B7R1.20 CN(C)CC1CO1 269982a_100102631434_102125554688 [1,0,0,1,0,0|2,0,0]=4 2339 B7R1.20 CN(C)C[C@@H]1CO1 269982a_100102631434_100000745022 [1,0,0,1,0,0|2,0,0]=4 2340 B7R1.6 CCOC1CCC1 34a_100000748187_100000210202 [1,0,0,1,0,0|2,0,0]=4 2341 B7R1.6 CCOC1CCC1 34a_100121572206_100000749161 [1,0,0,1,0,0|2,0,0]=4 2342 B7R1.6 FCOC1CCC1 34a_100000748187_100015361967 [1,0,0,1,0,0|2,0,0]=4 2343 B9R1.7 CC1CCC(C1)OCF 34a_100000698185_100015361967 [0,1,0,1,0,0|2,0,0]=4 2344 B9R1.7 CCOC1CCC(C1)C 34a_100000698185_100000210202 [0,1,0,1,0,0|2,0,0]=4 2345 B9R1.7 C[C@@H]1CCN(C1)CC=O 2230a_100016987628_200015260668 [0,1,0,1,0,0|2,0,0]=4 2346 B9R1.7 C[C@@H]1CCN(C1)CC=O 269982a_100016987628_200015260668 [0,1,0,1,0,0|2,0,0]=4 2347 B9R1.7 C[C@@H]1CCN(C1)CC=O 34a_100016987628_200009817547 [0,1,0,1,0,0|2,0,0]=4 2348 B9R1.13 CC(C)NC1CCOC1 2230a_100138425928_100000731011 [0,1,0,1,0,0|2,0,0]=4 2349 B9R1.13 CC(C)NC1CCOC1 34a_100138425928_100000690089 [0,1,0,1,0,0|2,0,0]=4 2350 B9R1.13 CC(C)N[C@@H]1CCOC1 2230a_200015188469_100000210206 [0,1,0,1,0,0|2,0,0]=4 2351 B9R1.13 CC(C)N[C@H]1CCOC1 2230a_100015188467_100000210206 [0,1,0,1,0,0|2,0,0]=4 2352 B9R1.13 CC(C)N[C@H]1CCOC1 34a_100015188467_100000210206 [0,1,0,1,0,0|2,0,0]=4 2353 B9R1.13 CC(C)OC1CCOC1 34a_100000212225_100000690089 [0,1,0,1,0,0|2,0,0]=4 2354 B9R1.13 CC(C)O[C@H]1CCOC1 34a_100000717292_100000210206 [0,1,0,1,0,0|2,0,0]=4 2355 B9R1.13 CC(C)SC1CCOC1 62a_100000210206_100000690089 [0,1,0,1,0,0|2,0,0]=4 2356 B9R1.41 CN(C)C1CCOC1=O 2230a_100102631434_100000211211 [0,1,0,1,0,0|2,0,0]=4 2357 B9R1.41 CN(C)C1CCOC1=O 269982a_100102631434_100000211211 [0,1,0,1,0,0|2,0,0]=4 2358 B9R1.53 CC(=O)OC1CN(C1)C 269982a_100016994906_200000210301 [0,1,0,1,0,0|2,0,0]=4 2359 B9R1.53 CC(=O)OC1CN(C1)[13CH3] 269982a_100016994906_200025704644 [0,1,0,1,0,0|2,0,0]=4 2360 B9R1.2 CC1CC(CCO1)O[13CH3] 34a_100011986385_200025704644 [0,1,0,1,0,0|2,0,0]=4 2361 B9R1.2 CC1CC(CCO1)O[13CH3] 7a_100011986385_200025704644 [0,1,0,1,0,0|2,0,0]=4 2362 B9R1.2 CCN1CCOC(=O)C1 2230a_100000131268_100000210202 [0,1,0,1,0,0|2,0,0]=4 2363 B9R1.2 CNC1CCNC(=O)C1 2230a_100016994916_200000210301 [0,1,0,1,0,0|2,0,0]=4 2364 B9R1.2 CNC1CCNC(=O)C1 34a_100016994916_200000210301 [0,1,0,1,0,0|2,0,0]=4 2365 B9R1.2 CNC1CCOC(C1)C 270004a_106832991635_100000755752 [0,1,0,1,0,0|2,0,0]=4 2366 B9R1.2 COC1CCCC(=O)C1 34a_100012613340_200000210301 [0,1,0,1,0,0|2,0,0]=4 2367 B9R1.2 COC1CCOC(C1)C 34a_100011986385_200000210301 [0,1,0,1,0,0|2,0,0]=4 2368 B9R1.2 COC1CCOC(C1)C 7a_100011986385_200000210301 [0,1,0,1,0,0|2,0,0]=4 2369 B9R1.2 CO[C@@H]1CCNC(=O)C1 34a_100015189427_200000210301 [0,1,0,1,0,0|2,0,0]=4 2370 B9R1.2 [13CH3]NC1CCNC(=O)C1 2230a_100016994916_200025704644 [0,1,0,1,0,0|2,0,0]=4 2371 B9R1.2 [13CH3]NC1CCNC(=O)C1 34a_100016994916_200025704644 [0,1,0,1,0,0|2,0,0]=4 2372 B9R1.2 [13CH3]OC1CCCC(=O)C1 34a_100012613340_200025704644 [0,1,0,1,0,0|2,0,0]=4 2373 B9R1.2 [13CH3]O[C@@H]1CCNC(=O)C1 34a_100015189427_200025704644 [0,1,0,1,0,0|2,0,0]=4 2374 B9R1.16 C#CCOCC1CC1C 34a_100000744939_100000184674 [0,1,0,1,0,0|2,0,0]=4 2375 B9R1.16 C#CCOCC1CC1C 7a_100000744939_100000038162 [0,1,0,1,0,0|2,0,0]=4 2376 B9R1.16 C=CCOCC1CC1C 34a_100000744939_100015514636 [0,1,0,1,0,0|2,0,0]=4 2377 B9R1.16 C=CCOCC1CC1C 7a_100000744939_100015514636 [0,1,0,1,0,0|2,0,0]=4 2378 B9R1.16 CC1CC1COCC#N 7a_100000744939_100011215382 [0,1,0,1,0,0|2,0,0]=4 2379 B9R1.16 CC1CC1COCC=O 34a_100000744939_200009817547 [0,1,0,1,0,0|1,0,0]=3 2380 B9R1.16 CC1CC1COCC=O 7a_100000744939_200015260668 [0,1,0,1,0,0|1,0,0]=3 2381 B9R1.16 CC1CC1COCCF 34a_100000744939_100011217306 [0,1,0,1,0,0|2,0,0]=4 2382 B9R1.16 CC1CC1COCCF 7a_100000744939_100011217306 [0,1,0,1,0,0|2,0,0]=4 2383 B9R1.16 CC1CC1COCCO 34a_100000744939_100000211926 [0,1,0,1,0,0|1,0,1]=4 2384 B9R1.16 CC1CC1COCCO 7a_100000744939_100000211926 [0,1,0,1,0,0|1,0,1]=4 2385 B9R1.16 CCCOCC1CC1C 34a_100000744939_100000210303 [0,1,0,1,0,0|2,0,0]=4 2386 B9R1.16 CCCOCC1CC1C 7a_100000744939_100000210303 [0,1,0,1,0,0|2,0,0]=4 2387 B9R1.16 CSCOCC1CC1C 34a_100000744939_100011218213 [0,1,0,1,0,0|1,1,0]=4 2388 B9R1.17 CCOCCC1COC1 34a_100009855314_100000210202 [0,1,0,1,0,0|2,0,0]=4 2389 B9R1.17 FCOCCC1COC1 34a_100009855314_100015361967 [0,1,0,1,0,0|2,0,0]=4 2390 B9R1.118 CC1(CCOCC1)N[13CH3] 2230a_100000692449_200025704644 [0,1,0,1,0,0|2,0,0]=4 2391 B9R1.118 CC1(CCOCC1)N[13CH3] 34a_100000692449_200025704644 [0,1,0,1,0,0|2,0,0]=4 2392 B9R1.118 CC1(CCOCC1)O[13CH3] 34a_100011827762_200025704644 [0,1,0,1,0,0|2,0,0]=4 2393 B9R1.118 CC1(CCOCC1)O[13CH3] 7a_100011827762_200025704644 [0,1,0,1,0,0|2,0,0]=4 2394 B9R1.118 CNC1(CCOCC1)C 2230a_100000692449_200000210301 [0,1,0,1,0,0|2,0,0]=4 2395 B9R1.118 CNC1(CCOCC1)C 34a_100000692449_200000210301 [0,1,0,1,0,0|2,0,0]=4 2396 B9R1.118 COC1(CCOCC1)C 34a_100011827762_200000210301 [0,1,0,1,0,0|2,0,0]=4 2397 B9R1.118 COC1(CCOCC1)C 7a_100011827762_200000210301 [0,1,0,1,0,0|2,0,0]=4 2398 B9R1.6 CC(C)N1CCOCC1 2230a_100015191051_100000210206 [0,1,0,1,0,0|2,0,0]=4 2399 B9R1.6 CC(C)N1CCOCC1 269982a_100015191051_100000210206 [0,1,0,1,0,0|2,0,0]=4 2400 B9R1.6 CC(C)N1CCOCC1 34a_100015191051_100000210206 [0,1,0,1,0,0|2,0,0]=4 2401 B9R1.9 CCOCN1CC(C1)C 269982a_100000702820_100000739092 [0,1,0,1,0,0|2,0,0]=4 2402 B9R1.46 CC(C)OCC1CC1C 34a_100000744939_100000210206 [0,1,0,1,0,0|2,0,0]=4 2403 B9R1.46 CC(C)OCC1CC1C 7a_100000744939_100000210206 [0,1,0,1,0,0|2,0,0]=4 2404 B9R1.67 CC(C)NC1CCC1=O 34a_100138425928_100009892977 [0,1,0,1,0,0|2,0,0]=4 2405 B9R1.67 CC(C)OC1CCC1=O 34a_100000212225_100009892977 [0,1,0,1,0,0|2,0,0]=4 2406 B9R1.67 CC(C)SC1CCC1=O 62a_100000210206_100009892977 [0,1,0,1,0,0|2,0,0]=4 2407 B9R1.67 CC(C)SC1CCC1=O 62a_100009892977_100000210206 [0,1,0,1,0,0|2,0,0]=4 2408 B9R1.77 CC1(CC1COCF)C 34a_100000728257_100015361967 [0,1,0,1,0,0|2,0,0]=4 2409 B9R1.77 CC1(CC1COCF)C 7a_100000728257_100015361967 [0,1,0,1,0,0|2,0,0]=4 2410 B9R1.77 CC1(OC1COCF)C 34a_200010283642_100015361967 [0,1,0,1,0,0|2,0,0]=4 2411 B9R1.77 CC1(OC1COCF)C 7a_200010283642_100015361967 [0,1,0,1,0,0|2,0,0]=4 2412 B9R1.77 CCOCC1CC1(C)C 34a_100000728257_100000210202 [0,1,0,1,0,0|2,0,0]=4 2413 B9R1.77 CCOCC1CC1(C)C 7a_100000728257_100000210202 [0,1,0,1,0,0|2,0,0]=4 2414 B9R1.77 CCOCC1OC1(C)C 34a_200010283642_100000210202 [0,1,0,1,0,0|2,0,0]=4 2415 B9R1.77 CCOCC1OC1(C)C 7a_200010283642_100000210202 [0,1,0,1,0,0|2,0,0]=4 2416 B9R1.83 BrCCOCCC1CC1 34a_100000211926_100000694398 [0,1,0,1,0,0|2,0,0]=4 2417 B9R1.83 C#CCOCCC1CC1 34a_100000210247_100000694398 [0,1,0,1,0,0|2,0,0]=4 2418 B9R1.83 C#CCOCCC1CC1 34a_100000754188_100000184674 [0,1,0,1,0,0|2,0,0]=4 2419 B9R1.83 C#CCOCCC1CC1 7a_100000754188_100000038162 [0,1,0,1,0,0|2,0,0]=4 2420 B9R1.83 C=CCOCCC1CC1 34a_100000754188_100015514636 [0,1,0,1,0,0|2,0,0]=4 2421 B9R1.83 C=CCOCCC1CC1 34a_200000210373_100000694398 [0,1,0,1,0,0|2,0,0]=4 2422 B9R1.83 C=CCOCCC1CC1 7a_100000754188_100015514636 [0,1,0,1,0,0|2,0,0]=4 2423 B9R1.83 C=COCCNC1CC1 34a_100000212008_100000039644 [0,1,0,1,0,0|2,0,0]=4 2424 B9R1.83 C=COCCOC1CC1 34a_100000033082_100000211595 [0,1,0,1,0,0|2,0,0]=4 2425 B9R1.83 C=COCCSC1CC1 62a_100000039644_100000211595 [0,1,0,1,0,0|2,0,0]=4 2426 B9R1.83 CCCOCCC1CC1 34a_100000210258_100000694398 [0,1,0,1,0,0|2,0,0]=4 2427 B9R1.83 CCCOCCC1CC1 34a_100000754188_100000210303 [0,1,0,1,0,0|2,0,0]=4 2428 B9R1.83 CCCOCCC1CC1 7a_100000754188_100000210303 [0,1,0,1,0,0|2,0,0]=4 2429 B9R1.83 CCOCCNC1CC1 34a_100000212008_100000210147 [0,1,0,1,0,0|2,0,0]=4 2430 B9R1.83 CCOCCNC1CC1 34a_100000738766_100000210202 [0,1,0,1,0,0|2,0,0]=4 2431 B9R1.83 CCOCCNC1CC1 34a_102516460346_100000211595 [0,1,0,1,0,0|2,0,0]=4 2432 B9R1.83 CCOCCOC1CC1 34a_100000210136_100000211595 [0,1,0,1,0,0|2,0,0]=4 2433 B9R1.83 CCOCCSC1CC1 62a_100000210147_100000211595 [0,1,0,1,0,0|2,0,0]=4 2434 B9R1.83 CCOCSCC1CC1 62a_100000739092_100000742324 [0,1,0,1,0,0|2,0,0]=4 2435 B9R1.83 CCOCSCC1CC1 62a_100000756562_100000739092 [0,1,0,1,0,0|2,0,0]=4 2436 B9R1.83 CSCOCCC1CC1 34a_100000754188_100011218213 [0,1,0,1,0,0|1,1,0]=4 2437 B9R1.83 FCCOCCC1CC1 34a_100000754188_100011217306 [0,1,0,1,0,0|2,0,0]=4 2438 B9R1.83 FCCOCCC1CC1 7a_100000754188_100011217306 [0,1,0,1,0,0|2,0,0]=4 2439 B9R1.83 FCOCCNC1CC1 34a_100000738766_100015361967 [0,1,0,1,0,0|2,0,0]=4 2440 B9R1.83 N#CCOCCC1CC1 7a_100000754188_100011215382 [0,1,0,1,0,0|2,0,0]=4 2441 B9R1.83 NCCOCCC1CC1 34a_100000210304_100000694398 [0,1,0,1,0,0|2,0,0]=4 2442 B9R1.83 O=CCCCSC1CC1 62a_200011292268_100000211595 [0,1,0,1,0,0|2,0,0]=4 2443 B9R1.83 O=CCNCCC1CC1 34a_100000764129_200009817547 [0,1,0,1,0,0|2,0,0]=4 2444 B9R1.83 O=CCOCCC1CC1 34a_100000754188_200009817547 [0,1,0,1,0,0|1,0,0]=3 2445 B9R1.83 O=CCOCCC1CC1 7a_100000754188_200015260668 [0,1,0,1,0,0|1,0,0]=3 2446 B9R1.83 O=CCOCC[C@@H]1CO1 34a_100009820653_200009817547 [0,1,0,1,0,0|2,0,0]=4 2447 B9R1.83 O=CCSCCC1CC1 62a_100000764125_200015260668 [0,1,0,1,0,0|1,1,0]=4 2448 B9R1.83 O=CCSCCC1CC1 62a_200015260668_100000764125 [0,1,0,1,0,0|1,1,0]=4 2449 B9R1.83 OCCOCCC1CC1 34a_100000754188_100000211926 [0,1,0,1,0,0|1,0,1]=4 2450 B9R1.83 OCCOCCC1CC1 7a_100000754188_100000211926 [0,1,0,1,0,0|1,0,1]=4 2451 B9R1.84 CC(C)NCC1CCO1 2230a_100138425928_100000103362 [0,1,0,1,0,0|2,0,0]=4 2452 B9R1.84 CC(C)NCC1CCO1 34a_100138425928_100000103362 [0,1,0,1,0,0|2,0,0]=4 2453 B9R1.84 CC(C)NC[C@@H]1CCO1 2230a_100020831831_100000210206 [0,1,0,1,0,0|2,0,0]=4 2454 B9R1.84 CC(C)NC[C@@H]1CCO1 34a_100020831831_100000210206 [0,1,0,1,0,0|2,0,0]=4 2455 B9R1.84 CC(C)OCC1CCO1 34a_100000039022_100000210206 [0,1,0,1,0,0|2,0,0]=4 2456 B9R1.84 CC(C)OCC1CCO1 34a_100000212225_100000103362 [0,1,0,1,0,0|2,0,0]=4 2457 B9R1.84 CC(C)SCC1CCO1 62a_100000103362_100000210206 [0,1,0,1,0,0|2,0,0]=4 2458 B9R1.84 CC(C)SCC1CCO1 62a_100000210206_100000103362 [0,1,0,1,0,0|2,0,0]=4 2459 B9R1.85 CC(=O)NCCC1CC1 1626a_100000764129_100015343762 [0,1,0,1,0,0|2,0,0]=4 2460 B9R1.85 CC(=O)NCCC1CC1 240690a_100000764129_100015343762 [0,1,0,1,0,0|2,0,0]=4 2461 B9R1.85 CC(=O)NCCC1CC1 527a_100000764129_100103153847 [0,1,0,1,0,0|2,0,0]=4 2462 B9R1.85 CC(=O)OCNC1CC1 34a_100000212008_100009813279 [0,1,0,1,0,0|2,0,0]=4 2463 B9R1.85 CC(=O)OCSC1CC1 62a_100000076356_100000211595 [0,1,0,1,0,0|2,0,0]=4 2464 B9R1.85 CC(C)CCOC1CC1 34a_100000210254_100000211595 [0,1,0,1,0,0|2,0,0]=4 2465 B9R1.85 CC(C)OCCC1CC1 34a_100000212225_100000694398 [0,1,0,1,0,0|2,0,0]=4 2466 B9R1.85 CC(C)OCCC1CC1 34a_100000754188_100000210206 [0,1,0,1,0,0|2,0,0]=4 2467 B9R1.85 CC(C)OCCC1CC1 7a_100000754188_100000210206 [0,1,0,1,0,0|2,0,0]=4 2468 B9R1.35 CC(=O)N1CC[C@H](C1)C 11a_100016987628_100015343762 [0,1,0,1,0,0|2,0,0]=4 2469 B9R1.35 CC(=O)N1CC[C@H](C1)C 240690a_100016987628_100015343762 [0,1,0,1,0,0|2,0,0]=4 2470 B9R1.35 CC(=O)N1CC[C@H](C1)C 527a_100016987628_100103153847 [0,1,0,1,0,0|2,0,0]=4 2471 B9R1.100 CCOC[C@H](N)C1CC1 34a_100020623730_100000210202 [0,1,0,1,0,0|2,0,0]=4 2472 B9R1.100 N[C@@H](COCF)C1CC1 34a_100020623730_100015361967 [0,1,0,1,0,0|2,0,0]=4