0 B12R1.567 CCCC=Cc1c([nH][nH]c1=O)C 271570a_100016258520_100000686169 [0,0,0,0,0,0|2,0,2]=4 1 B12R1.567 CCCCCN1C(CCC1C)C 2230a_100000687148_100000210326 [0,0,0,0,0,0|2,0,2]=4 2 B12R1.567 CCCCCN1C(CCC1C)C 269982a_100000687148_100000210215 [0,0,0,0,0,0|2,0,2]=4 3 B12R1.567 CCCCCN1C(CCC1C)C 34a_100000687148_100000718602 [0,0,0,0,0,0|2,0,2]=4 4 B12R1.567 CCCCNC1C(=O)CCC1=O 2230a_100000102301_100009820769 [0,0,0,0,0,0|2,0,1]=3 5 B12R1.567 CCCCNC1C(=O)CCC1=O 7a_106832991798_100009820769 [0,0,0,0,0,0|2,0,1]=3 6 B12R1.567 CCCCNC1C(=O)NN=C1C 2230a_100000102301_200009843013 [0,0,0,0,0,0|3,0,1]=4 7 B12R1.567 CCCCNC1C(=O)NN=C1C 7a_106832991798_200009843013 [0,0,0,0,0,0|3,0,1]=4 8 B12R1.567 CCCCOC1C(=O)CCC1=O 7a_100000210227_100009820769 [0,0,0,0,0,0|2,0,1]=3 9 B12R1.567 CCCCOC1C(=O)COC1=O 34a_100000210227_100000032967 [0,0,0,0,0,0|3,0,1]=4 10 B12R1.567 CCCCOC1C(=O)NN=C1C 7a_100000210227_200009843013 [0,0,0,0,0,0|3,0,1]=4 11 B12R1.567 CCCCOc1c(n[nH]c1C)C 34a_100012186652_100000210210 [0,0,0,0,0,0|4,0,0]=4 12 B12R1.567 CCCCSC1C(=O)CCC1=O 62a_100000210211_100009820769 [0,0,0,0,0,0|2,0,1]=3 13 B12R1.567 CCCCSC1C(=O)CCC1=O 62a_100009820769_100000210210 [0,0,0,0,0,0|2,0,1]=3 14 B12R1.567 CCCCSC1C(=O)COC1=O 62a_100000210211_100000032967 [0,0,0,0,0,0|3,0,1]=4 15 B12R1.567 CCCCSC1C(=O)NN=C1C 62a_100000210211_200009843013 [0,0,0,0,0,0|3,0,1]=4 16 B12R1.567 CCCCSc1c(n[nH]c1C)C 62a_100000210211_100000238710 [0,0,0,0,0,0|4,0,0]=4 17 B12R1.567 CCCCSc1c(n[nH]c1C)C 62a_100000238710_100000210210 [0,0,0,0,0,0|4,0,0]=4 18 B12R1.567 CCCCSc1c(n[nH]c1N)C 62a_100000182022_100000210210 [0,0,0,0,0,0|4,0,0]=4 19 B12R1.567 CCCCSc1c(n[nH]c1N)C 62a_100000210211_100000182022 [0,0,0,0,0,0|4,0,0]=4 20 B12R1.567 CCCCSc1c(noc1C)C 62a_100000210211_100000694658 [0,0,0,0,0,0|4,0,0]=4 21 B12R1.567 CCCCSc1c(noc1C)C 62a_100000694658_100000210210 [0,0,0,0,0,0|4,0,0]=4 22 B12R1.567 CCCCSc1c(noc1C)N 62a_100000210211_100011216220 [0,0,0,0,0,0|4,0,0]=4 23 B12R1.567 CCCCSc1c(noc1C)N 62a_100011216220_100000210210 [0,0,0,0,0,0|4,0,0]=4 24 B12R1.567 CCCCSc1c(noc1C)O 62a_100000210211_100010730664 [0,0,0,0,0,0|3,0,1]=4 25 B12R1.567 CCCCSc1c(noc1C)O 62a_100010730664_100000210210 [0,0,0,0,0,0|3,0,1]=4 26 B12R1.567 CCCCSc1c(noc1N)C 62a_100000210211_100000754107 [0,0,0,0,0,0|4,0,0]=4 27 B12R1.567 CCCCSc1c(noc1N)C 62a_100000754107_100000210210 [0,0,0,0,0,0|4,0,0]=4 28 B12R1.567 CCCCSc1c(nsc1N)C 62a_100000210211_100000701153 [0,0,0,0,0,0|4,0,0]=4 29 B12R1.567 CCCCSc1c(nsc1N)C 62a_100000701153_100000210210 [0,0,0,0,0,0|4,0,0]=4 30 B12R1.567 CCCNCc1c(n[nH]c1C)C 207a_100020643023_100000739816 [0,0,0,0,0,0|4,0,0]=4 31 B12R1.567 CCCNCc1c(n[nH]c1C)C 270004a_100020643023_100000739816 [0,0,0,0,0,0|4,0,0]=4 32 B12R1.567 CCCNCc1c(n[nH]c1C)Cl 207a_100020643023_100000695511 [0,0,0,0,0,0|4,0,0]=4 33 B12R1.567 CCCNCc1c(n[nH]c1C)Cl 270004a_100020643023_100000695511 [0,0,0,0,0,0|4,0,0]=4 34 B12R1.567 CCCNCc1c(noc1C)C 207a_100020643023_100000181199 [0,0,0,0,0,0|4,0,0]=4 35 B12R1.567 CCCNCc1c(noc1C)C 2230a_100000174930_100000210303 [0,0,0,0,0,0|4,0,0]=4 36 B12R1.567 CCCNCc1c(noc1C)C 34a_100000174930_100000210303 [0,0,0,0,0,0|4,0,0]=4 37 B12R1.567 CCCOCc1c(n[nH]c1C)C 7a_100000748363_100000210303 [0,0,0,0,0,0|4,0,0]=4 38 B12R1.567 CCCOCc1c(noc1C)C 34a_100000210258_100000184612 [0,0,0,0,0,0|4,0,0]=4 39 B12R1.567 CCCOCc1c(noc1C)C 34a_100011219351_100000210303 [0,0,0,0,0,0|4,0,0]=4 40 B12R1.567 CCCSCc1c(noc1C)C 62a_100000184612_100000210303 [0,0,0,0,0,0|4,0,0]=4 41 B12R1.567 CCCSCc1c(noc1C)C 62a_100000210303_100000184612 [0,0,0,0,0,0|4,0,0]=4 42 B12R1.567 CCNCCN1C(=O)CCC1=O 2230a_100015525214_100000736797 [0,0,0,0,0,0|3,0,0]=3 43 B12R1.567 CCNCCc1c(n[nH]c1C)C 2230a_100015525214_100011219447 [0,0,0,0,0,0|4,0,0]=4 44 B12R1.567 CCNCCc1c(noc1C)C 2230a_100000753187_100000210202 [0,0,0,0,0,0|4,0,0]=4 45 B12R1.567 CCNCCc1c(noc1C)C 34a_100000753187_100000210202 [0,0,0,0,0,0|4,0,0]=4 46 B12R1.567 CCNCCn1c(csc1=O)C 2230a_100015525214_100000204612 [0,0,0,0,0,0|3,0,1]=4 47 B12R1.567 CCOCCN1C(=O)CCC1=O 34a_100000230492_100000210202 [0,0,0,0,0,0|3,0,0]=3 48 B12R1.567 CCOCCN1C(=O)CCC1=O 34a_100121572206_100000736797 [0,0,0,0,0,0|3,0,0]=3 49 B12R1.567 CCOCCc1c(n[nH]c1C)C 34a_100000693165_100000210202 [0,0,0,0,0,0|4,0,0]=4 50 B12R1.567 CCOCCc1c(n[nH]c1C)C 34a_100121572206_100011219447 [0,0,0,0,0,0|4,0,0]=4 51 B12R1.567 CCOCCc1c(n[nH]c1C)C 7a_100000693165_100000210202 [0,0,0,0,0,0|4,0,0]=4 52 B12R1.567 CCOCCc1c(noc1C)C 34a_200000044818_100000210202 [0,0,0,0,0,0|4,0,0]=4 53 B12R1.567 CCOCCc1c(noc1C)C 7a_200000044818_100000210202 [0,0,0,0,0,0|4,0,0]=4 54 B12R1.567 CCOCSC1C(=O)CCC1=O 62a_100000739092_100009820769 [0,0,0,0,0,0|3,0,1]=4 55 B12R1.567 CCOCSC1C(=O)CCC1=O 62a_100009820769_100000739092 [0,0,0,0,0,0|3,0,1]=4 56 B12R1.567 CCSCCN1C(=O)CCC1=O 62a_100000210202_100000736797 [0,0,0,0,0,0|3,0,0]=3 57 B12R1.567 CCSCCc1c(n[nH]c1C)C 62a_100000210202_100011219447 [0,0,0,0,0,0|4,0,0]=4 58 B12R1.567 CCSCCc1c(n[nH]c1C)C 62a_100011219447_100000210202 [0,0,0,0,0,0|4,0,0]=4 59 B12R1.567 CCSCCn1c(csc1=O)C 62a_100000204612_100000210202 [0,0,0,0,0,0|3,0,1]=4 60 B12R1.567 CCSCCn1c(csc1=O)C 62a_100000210202_100000204612 [0,0,0,0,0,0|3,0,1]=4 61 B12R1.567 CNCCCN1C(=O)CCC1=O 2230a_106832991635_100011259146 [0,0,0,0,0,0|3,0,0]=3 62 B12R1.567 CNCCCN1C(=O)CCC1=O 34a_100102657272_100011259146 [0,0,0,0,0,0|3,0,0]=3 63 B12R1.567 CNCCCN1C(=O)CCC1=O 7a_106832991635_100011259146 [0,0,0,0,0,0|3,0,0]=3 64 B12R1.567 CNCCCc1c(n[nH]c1C)C 2230a_100161116277_200000210301 [0,0,0,0,0,0|4,0,0]=4 65 B12R1.567 CNCCCc1c(noc1C)C 2230a_100015185737_200000210301 [0,0,0,0,0,0|4,0,0]=4 66 B12R1.567 CNCCCc1c(noc1C)C 34a_100015185737_200000210301 [0,0,0,0,0,0|4,0,0]=4 67 B12R1.567 COCCCN1C(=O)CCC1=O 34a_100138415774_100011259146 [0,0,0,0,0,0|3,0,0]=3 68 B12R1.567 COCCNC1C(=O)CCC1=O 2230a_100000209980_100009820769 [0,0,0,0,0,0|3,0,1]=4 69 B12R1.567 COCCSC1C(=O)CCC1=O 62a_100000233755_100009820769 [0,0,0,0,0,0|3,0,1]=4 70 B12R1.567 COCCSC1C(=O)CCC1=O 62a_100009820769_100000233755 [0,0,0,0,0,0|3,0,1]=4 71 B12R1.567 CSCCCN1C(=O)CCC1=O 62a_200000210301_100011259146 [0,0,0,0,0,0|3,0,0]=3 72 B12R1.567 CSCCNC1C(=O)CCC1=O 2230a_100020590264_100009820769 [0,0,0,0,0,0|3,0,1]=4 73 B12R1.567 CSCCOC1C(=O)CCC1=O 7a_100000230434_100009820769 [0,0,0,0,0,0|3,0,1]=4 74 B12R1.567 CSCCSC1C(=O)CCC1=O 62a_100000212216_100009820769 [0,0,0,0,0,0|3,0,1]=4 75 B12R1.567 CSCCSC1C(=O)CCC1=O 62a_100009820769_100000751147 [0,0,0,0,0,0|3,0,1]=4 76 B12R1.567 Cc1n[nH]c(c1CCCN[13CH3])C 2230a_100161116277_200025704644 [0,0,0,0,0,0|4,0,0]=4 77 B12R1.567 Cc1noc(c1CCCN[13CH3])C 2230a_100015185737_200025704644 [0,0,0,0,0,0|4,0,0]=4 78 B12R1.567 Cc1noc(c1CCCN[13CH3])C 34a_100015185737_200025704644 [0,0,0,0,0,0|4,0,0]=4 79 B12R1.567 O=C1CCC(=O)C1NCCCF 2230a_100015189416_100009820769 [0,0,0,0,0,0|3,0,1]=4 80 B12R1.567 O=C1CCC(=O)C1SCCCF 62a_100009820769_100011934791 [0,0,0,0,0,0|3,0,1]=4 81 B12R1.567 O=C1CCC(=O)C1SCCCF 62a_100011934791_100009820769 [0,0,0,0,0,0|3,0,1]=4 82 B12R1.567 O=C1CCC(=O)C1SCCCO 62a_100009820769_100011215043 [0,0,0,0,0,0|3,0,1]=4 83 B12R1.567 O=C1CCC(=O)C1SCCCO 62a_100011215043_100009820769 [0,0,0,0,0,0|3,0,1]=4 84 B12R1.567 O=C1CCC(=O)N1CCOCF 34a_100000230492_100015361967 [0,0,0,0,0,0|4,0,0]=4 85 B12R1.567 O=C1CCC(=O)N1CCSCF 62a_100015361967_100000736797 [0,0,0,0,0,0|4,0,0]=4 86 B12R1.567 [13CH3]SCCCN1C(=O)CCC1=O 62a_200025704644_100011259146 [0,0,0,0,0,0|3,0,0]=3 87 B11R1.180 C#CCOCC1=CCCC1=O 34a_100000087531_100000184674 [1,0,0,0,0,0|1,0,2]=4 88 B11R1.180 C=CCOCC1=CCCC1=O 34a_100000087531_100015514636 [1,0,0,0,0,0|1,0,2]=4 89 B11R1.180 CCCCCN1CCC[C@@H]1C 2230a_100020605311_100000210326 [1,0,0,0,0,0|1,0,2]=4 90 B11R1.180 CCCCCN1CCC[C@@H]1C 269982a_100020605311_100000210215 [1,0,0,0,0,0|1,0,2]=4 91 B11R1.180 CCCCCN1CCC[C@H]1C 2230a_100015189458_100000210326 [1,0,0,0,0,0|1,0,2]=4 92 B11R1.180 CCCCCN1CCC[C@H]1C 269982a_100015189458_100000210215 [1,0,0,0,0,0|1,0,2]=4 93 B11R1.180 CCCCCN1CCC[C@H]1C 34a_100015189458_100000718602 [1,0,0,0,0,0|1,0,2]=4 94 B11R1.180 CCCCNC1CCCC1=O 2230a_100000102301_100000211823 [1,0,0,0,0,0|1,0,2]=4 95 B11R1.180 CCCCNC1CCCC1=O 7a_106832991798_100000211823 [1,0,0,0,0,0|1,0,2]=4 96 B11R1.180 CCCCOC1CCCC1=O 34a_100000210227_100000709159 [1,0,0,0,0,0|1,0,2]=4 97 B11R1.180 CCCCOC1CCCC1=O 34a_200000719330_100000210210 [1,0,0,0,0,0|1,0,2]=4 98 B11R1.180 CCCCOC1CCCC1=O 7a_100000210227_100000211823 [1,0,0,0,0,0|1,0,2]=4 99 B11R1.180 CCCCSC1CCCC1=O 62a_100000210211_100000211823 [1,0,0,0,0,0|1,0,2]=4 100 B11R1.180 CCCCSC1CCCC1=O 62a_100000211823_100000210210 [1,0,0,0,0,0|1,0,2]=4 101 B11R1.180 CCCCSc1c[nH]nc1C 62a_100000210211_100000692133 [1,0,0,0,0,0|3,0,0]=4 102 B11R1.180 CCCCSc1c[nH]nc1C 62a_100000692133_100000210210 [1,0,0,0,0,0|3,0,0]=4 103 B11R1.180 CCCCSc1ccsc1C 62a_100000210211_100000684487 [1,0,0,0,0,0|2,0,1]=4 104 B11R1.180 CCCCSc1ccsc1C 62a_100000684487_100000210210 [1,0,0,0,0,0|2,0,1]=4 105 B11R1.180 CCCCSc1cnoc1C 62a_100000210211_100009872056 [1,0,0,0,0,0|3,0,0]=4 106 B11R1.180 CCCCSc1cnoc1C 62a_100009872056_100000210210 [1,0,0,0,0,0|3,0,0]=4 107 B11R1.180 CCCCSc1cscc1C 62a_100000210211_100000759966 [1,0,0,0,0,0|2,0,1]=4 108 B11R1.180 CCCCSc1cscc1C 62a_100000759966_100000210210 [1,0,0,0,0,0|2,0,1]=4 109 B11R1.180 CCCNCc1c[nH]nc1C 207a_100020643023_100000737037 [1,0,0,0,0,0|3,0,0]=4 110 B11R1.180 CCCOCC1=CCCC1=O 34a_100000087531_100000210303 [1,0,0,0,0,0|1,0,0]=2 111 B11R1.180 CCCOCc1ccoc1C 34a_100011219433_100000210303 [1,0,0,0,0,0|2,0,1]=4 112 B11R1.180 CCCOCc1ccoc1C 7a_100011219433_100000210303 [1,0,0,0,0,0|2,0,1]=4 113 B11R1.180 CCCSCN1CCCC1=O 62a_100000026320_100000210303 [1,0,0,0,0,0|2,0,1]=4 114 B11R1.180 CCCSCN1CCCC1=O 62a_100000210303_100000026320 [1,0,0,0,0,0|2,0,1]=4 115 B11R1.180 CCNCCN1CCCC1=O 2230a_100011200922_100000210202 [1,0,0,0,0,0|2,0,1]=4 116 B11R1.180 CCNCCN1CCCC1=O 2230a_100015525214_100000739059 [1,0,0,0,0,0|2,0,1]=4 117 B11R1.180 CCOCCN1CCCC1=O 34a_100000211209_100000210202 [1,0,0,0,0,0|2,0,1]=4 118 B11R1.180 CCOCCN1CCCC1=O 34a_100121572206_100000739059 [1,0,0,0,0,0|2,0,1]=4 119 B11R1.180 CCOCCN1CCCC1=O 7a_100000211209_100000210202 [1,0,0,0,0,0|2,0,1]=4 120 B11R1.180 CCSCCN1CCCC1=O 62a_100000210202_100000739059 [1,0,0,0,0,0|2,0,1]=4 121 B11R1.180 CCSCCN1CCCC1=O 62a_100000739059_100000210202 [1,0,0,0,0,0|2,0,1]=4 122 B11R1.180 CNCCCN1CCCC1=O 2230a_100000210347_200000210301 [1,0,0,0,0,0|2,0,1]=4 123 B11R1.180 CNCCCN1CCCC1=O 34a_100000210347_200000210301 [1,0,0,0,0,0|2,0,1]=4 124 B11R1.180 COCCCN1CCCC1=O 34a_100011216539_200000210301 [1,0,0,0,0,0|2,0,1]=4 125 B11R1.180 COCCCN1CCCC1=O 7a_100011216539_200000210301 [1,0,0,0,0,0|2,0,1]=4 126 B11R1.180 CSCOCC1=CCCC1=O 34a_100000087531_100011218213 [1,0,0,0,0,0|2,0,0]=3 127 B11R1.180 O=C1CCC=C1COCCF 34a_100000087531_100011217306 [1,0,0,0,0,0|2,0,0]=3 128 B11R1.180 O=C1CCC=C1COCCO 34a_100000087531_100000211926 [1,0,0,0,0,0|2,0,0]=3 129 B11R1.180 O=CCOCC1=CCCC1=O 34a_100000087531_200009817547 [1,0,0,0,0,0|2,0,1]=4 130 B11R1.180 [13CH3]NCCCN1CCCC1=O 2230a_100000210347_200025704644 [1,0,0,0,0,0|2,0,1]=4 131 B11R1.180 [13CH3]NCCCN1CCCC1=O 34a_100000210347_200025704644 [1,0,0,0,0,0|2,0,1]=4 132 B11R1.180 [13CH3]OCCCN1CCCC1=O 34a_100011216539_200025704644 [1,0,0,0,0,0|2,0,1]=4 133 B11R1.180 [13CH3]OCCCN1CCCC1=O 7a_100011216539_200025704644 [1,0,0,0,0,0|2,0,1]=4 134 B11R1.465 CCCCc1c([nH][nH]c1=O)C 271570a_100020621405_100000686169 [1,0,0,0,0,0|2,0,0]=3 135 B11R1.465 CCCCc1c(n[nH]c1C)C 271570a_100020621405_100000238710 [1,0,0,0,0,0|3,0,0]=4 136 B11R1.465 CCCCc1c(n[nH]c1N)C 271570a_100020621405_100000182022 [1,0,0,0,0,0|3,0,0]=4 137 B11R1.465 CCCCc1c(noc1C)C 271570a_100020621405_100000694658 [1,0,0,0,0,0|3,0,0]=4 138 B11R1.465 CCCCc1c(noc1C)N 271570a_100020621405_100011216220 [1,0,0,0,0,0|3,0,0]=4 139 B11R1.465 CCCCc1c(noc1C)O 271570a_100020621405_100010730664 [1,0,0,0,0,0|2,0,1]=4 140 B11R1.465 CCCCc1c(noc1N)C 271570a_100020621405_100000754107 [1,0,0,0,0,0|3,0,0]=4 141 B11R1.465 CCCCc1c(nsc1N)C 271570a_100020621405_100000701153 [1,0,0,0,0,0|3,0,0]=4 142 B11R1.465 CCCSC1C(=O)CCC1=O 62a_100000210303_100009820769 [1,0,0,0,0,0|2,0,1]=4 143 B11R1.465 CCCSC1C(=O)CCC1=O 62a_100009820769_100000210303 [1,0,0,0,0,0|2,0,1]=4 144 B11R1.465 CNCCN1C(=O)CCC1=O 2230a_106832991635_100000736797 [1,0,0,0,0,0|3,0,0]=4 145 B11R1.465 CNCCN1C(=O)CCC1=O 34a_100102657272_100000736797 [1,0,0,0,0,0|3,0,0]=4 146 B11R1.465 CNCCN1C(=O)CCC1=O 7a_106832991635_100000736797 [1,0,0,0,0,0|3,0,0]=4 147 B11R1.465 COCCN1C(=O)CCC1=O 34a_100000230492_200000210301 [1,0,0,0,0,0|3,0,0]=4 148 B11R1.465 COCCN1C(=O)CCC1=O 34a_100138415774_100000736797 [1,0,0,0,0,0|3,0,0]=4 149 B11R1.465 CSCCN1C(=O)CCC1=O 62a_200000210301_100000736797 [1,0,0,0,0,0|3,0,0]=4 150 B11R1.465 [13CH3]OCCN1C(=O)CCC1=O 34a_100000230492_200025704644 [1,0,0,0,0,0|3,0,0]=4 151 B11R1.465 [13CH3]SCCN1C(=O)CCC1=O 62a_200025704644_100000736797 [1,0,0,0,0,0|3,0,0]=4 152 B13R1.1133 CCCCC=Cc1c([nH][nH]c1=O)C 271570a_100016275911_100000686169 [0,1,0,0,0,0|2,0,1]=4 153 B13R1.1133 CCCCCNC1C(=O)CCC1=O 2230a_100000209983_100009820769 [0,1,0,0,0,0|1,0,1]=3 154 B13R1.1133 CCCCCNC1C(=O)NN=C1C 2230a_100000209983_200009843013 [0,1,0,0,0,0|2,0,1]=4 155 B13R1.1133 CCCCCOC1C(=O)CCC1=O 7a_100000210253_100009820769 [0,1,0,0,0,0|1,0,1]=3 156 B13R1.1133 CCCCCOC1C(=O)COC1=O 34a_100000210253_100000032967 [0,1,0,0,0,0|2,0,1]=4 157 B13R1.1133 CCCCCOC1C(=O)NN=C1C 7a_100000210253_200009843013 [0,1,0,0,0,0|2,0,1]=4 158 B13R1.1133 CCCCCOc1c(n[nH]c1C)C 34a_100012186652_100000718602 [0,1,0,0,0,0|3,0,0]=4 159 B13R1.1133 CCCCCSC1C(=O)CCC1=O 62a_100000210326_100009820769 [0,1,0,0,0,0|1,0,1]=3 160 B13R1.1133 CCCCCSC1C(=O)CCC1=O 62a_100009820769_100000210326 [0,1,0,0,0,0|1,0,1]=3 161 B13R1.1133 CCCCCSC1C(=O)COC1=O 62a_100000210326_100000032967 [0,1,0,0,0,0|2,0,1]=4 162 B13R1.1133 CCCCCSC1C(=O)NN=C1C 62a_100000210326_200009843013 [0,1,0,0,0,0|2,0,1]=4 163 B13R1.1133 CCCCCSc1c(n[nH]c1C)C 62a_100000210326_100000238710 [0,1,0,0,0,0|3,0,0]=4 164 B13R1.1133 CCCCCSc1c(n[nH]c1C)C 62a_100000238710_100000210326 [0,1,0,0,0,0|3,0,0]=4 165 B13R1.1133 CCCCCSc1c(n[nH]c1N)C 62a_100000182022_100000210326 [0,1,0,0,0,0|3,0,0]=4 166 B13R1.1133 CCCCCSc1c(n[nH]c1N)C 62a_100000210326_100000182022 [0,1,0,0,0,0|3,0,0]=4 167 B13R1.1133 CCCCCSc1c(noc1C)C 62a_100000210326_100000694658 [0,1,0,0,0,0|3,0,0]=4 168 B13R1.1133 CCCCCSc1c(noc1C)C 62a_100000694658_100000210326 [0,1,0,0,0,0|3,0,0]=4 169 B13R1.1133 CCCCCSc1c(noc1C)N 62a_100000210326_100011216220 [0,1,0,0,0,0|3,0,0]=4 170 B13R1.1133 CCCCCSc1c(noc1C)N 62a_100011216220_100000210326 [0,1,0,0,0,0|3,0,0]=4 171 B13R1.1133 CCCCCSc1c(noc1C)O 62a_100000210326_100010730664 [0,1,0,0,0,0|2,0,1]=4 172 B13R1.1133 CCCCCSc1c(noc1C)O 62a_100010730664_100000210326 [0,1,0,0,0,0|2,0,1]=4 173 B13R1.1133 CCCCCSc1c(noc1N)C 62a_100000210326_100000754107 [0,1,0,0,0,0|3,0,0]=4 174 B13R1.1133 CCCCCSc1c(noc1N)C 62a_100000754107_100000210326 [0,1,0,0,0,0|3,0,0]=4 175 B13R1.1133 CCCCCSc1c(nsc1N)C 62a_100000210326_100000701153 [0,1,0,0,0,0|3,0,0]=4 176 B13R1.1133 CCCCCSc1c(nsc1N)C 62a_100000701153_100000210326 [0,1,0,0,0,0|3,0,0]=4 177 B13R1.1133 CCCCNCc1c(n[nH]c1C)C 207a_100000102301_100000739816 [0,1,0,0,0,0|3,0,0]=4 178 B13R1.1133 CCCCNCc1c(n[nH]c1C)C 270004a_100000102301_100000739816 [0,1,0,0,0,0|3,0,0]=4 179 B13R1.1133 CCCCNCc1c(n[nH]c1C)Cl 207a_100000102301_100000695511 [0,1,0,0,0,0|3,0,0]=4 180 B13R1.1133 CCCCNCc1c(n[nH]c1C)Cl 270004a_100000102301_100000695511 [0,1,0,0,0,0|3,0,0]=4 181 B13R1.1133 CCCCNCc1c(noc1C)C 207a_100000102301_100000181199 [0,1,0,0,0,0|3,0,0]=4 182 B13R1.1133 CCCCNCc1c(noc1C)C 2230a_100000102301_100000184612 [0,1,0,0,0,0|3,0,0]=4 183 B13R1.1133 CCCCNCc1c(noc1C)C 2230a_100000174930_100000210211 [0,1,0,0,0,0|3,0,0]=4 184 B13R1.1133 CCCCNCc1c(noc1C)C 34a_100000174930_100000210210 [0,1,0,0,0,0|3,0,0]=4 185 B13R1.1133 CCCCNCc1c(noc1C)C 7a_106832991798_100000184612 [0,1,0,0,0,0|3,0,0]=4 186 B13R1.1133 CCCCOCc1c(n[nH]c1C)C 7a_100000748363_100000210211 [0,1,0,0,0,0|3,0,0]=4 187 B13R1.1133 CCCCOCc1c(noc1C)C 34a_100000210227_100000184612 [0,1,0,0,0,0|3,0,0]=4 188 B13R1.1133 CCCCOCc1c(noc1C)C 34a_100011219351_100000210210 [0,1,0,0,0,0|3,0,0]=4 189 B13R1.1133 CCCCOCc1c(noc1C)C 7a_100000210227_100000184612 [0,1,0,0,0,0|3,0,0]=4 190 B13R1.1133 CCCCSCc1c(noc1C)C 62a_100000184612_100000210210 [0,1,0,0,0,0|3,0,0]=4 191 B13R1.1133 CCCCSCc1c(noc1C)C 62a_100000210211_100000184612 [0,1,0,0,0,0|3,0,0]=4 192 B13R1.1133 CCCNCCc1c(noc1C)C 2230a_100000753187_100000210303 [0,1,0,0,0,0|3,0,0]=4 193 B13R1.1133 CCCNCCc1c(noc1C)C 34a_100000753187_100000210303 [0,1,0,0,0,0|3,0,0]=4 194 B13R1.1133 CCCOCCN1C(=O)CCC1=O 34a_100000210258_100000736797 [0,1,0,0,0,0|2,0,0]=3 195 B13R1.1133 CCCOCCN1C(=O)CCC1=O 34a_100000230492_100000210303 [0,1,0,0,0,0|2,0,0]=3 196 B13R1.1133 CCCOCCc1c(n[nH]c1C)C 34a_100000210258_100011219447 [0,1,0,0,0,0|3,0,0]=4 197 B13R1.1133 CCCOCCc1c(n[nH]c1C)C 34a_100000693165_100000210303 [0,1,0,0,0,0|3,0,0]=4 198 B13R1.1133 CCCOCCc1c(n[nH]c1C)C 7a_100000693165_100000210303 [0,1,0,0,0,0|3,0,0]=4 199 B13R1.1133 CCCOCCc1c(noc1C)C 34a_200000044818_100000210303 [0,1,0,0,0,0|3,0,0]=4 200 B13R1.1133 CCCOCCc1c(noc1C)C 7a_200000044818_100000210303 [0,1,0,0,0,0|3,0,0]=4 201 B13R1.1133 CCCSCCN1C(=O)CCC1=O 62a_100000210303_100000736797 [0,1,0,0,0,0|2,0,0]=3 202 B13R1.1133 CCCSCCc1c(n[nH]c1C)C 62a_100000210303_100011219447 [0,1,0,0,0,0|3,0,0]=4 203 B13R1.1133 CCCSCCc1c(n[nH]c1C)C 62a_100011219447_100000210303 [0,1,0,0,0,0|3,0,0]=4 204 B13R1.1133 CCCSCCn1c(csc1=O)C 62a_100000204612_100000210303 [0,1,0,0,0,0|2,0,1]=4 205 B13R1.1133 CCCSCCn1c(csc1=O)C 62a_100000210303_100000204612 [0,1,0,0,0,0|2,0,1]=4 206 B13R1.1133 CCNCCCN1C(=O)CCC1=O 2230a_100015525214_100011259146 [0,1,0,0,0,0|2,0,0]=3 207 B13R1.1133 CCNCCCc1c(n[nH]c1C)C 2230a_100161116277_100000210202 [0,1,0,0,0,0|3,0,0]=4 208 B13R1.1133 CCNCCCc1c(noc1C)C 2230a_100015185737_100000210202 [0,1,0,0,0,0|3,0,0]=4 209 B13R1.1133 CCNCCCc1c(noc1C)C 34a_100015185737_100000210202 [0,1,0,0,0,0|3,0,0]=4 210 B13R1.1133 CCOCCCN1C(=O)CCC1=O 34a_100121572206_100011259146 [0,1,0,0,0,0|2,0,0]=3 211 B13R1.1133 CCOCCNC1C(=O)CCC1=O 2230a_102516460346_100009820769 [0,1,0,0,0,0|2,0,1]=4 212 B13R1.1133 CCOCCOC1C(=O)CCC1=O 7a_100000210136_100009820769 [0,1,0,0,0,0|2,0,1]=4 213 B13R1.1133 CCOCCSC1C(=O)CCC1=O 62a_100000210147_100009820769 [0,1,0,0,0,0|2,0,1]=4 214 B13R1.1133 CCOCCSC1C(=O)CCC1=O 62a_100009820769_100011215890 [0,1,0,0,0,0|2,0,1]=4 215 B13R1.1133 CCSCCCN1C(=O)CCC1=O 62a_100000210202_100011259146 [0,1,0,0,0,0|2,0,0]=3 216 B13R1.1133 CCSCCNC1C(=O)CCC1=O 2230a_100000106463_100009820769 [0,1,0,0,0,0|2,0,1]=4 217 B13R1.1133 CCSCCOC1C(=O)CCC1=O 7a_100000212035_100009820769 [0,1,0,0,0,0|2,0,1]=4 218 B13R1.1133 CCSCCSC1C(=O)CCC1=O 62a_100000757381_100009820769 [0,1,0,0,0,0|2,0,1]=4 219 B13R1.1133 CCSCCSC1C(=O)CCC1=O 62a_100009820769_100000757381 [0,1,0,0,0,0|2,0,1]=4 220 B13R1.1133 COCCCSC1C(=O)CCC1=O 62a_100000709357_100009820769 [0,1,0,0,0,0|2,0,1]=4 221 B13R1.1133 COCCCSC1C(=O)CCC1=O 62a_100009820769_100000709357 [0,1,0,0,0,0|2,0,1]=4 222 B13R1.1133 COCSCCN1C(=O)CCC1=O 62a_100000766300_100000736797 [0,1,0,0,0,0|3,0,0]=4 223 B13R1.1133 CSCCCNC1C(=O)CCC1=O 2230a_100000749238_100009820769 [0,1,0,0,0,0|2,0,1]=4 224 B13R1.1133 CSCCCOC1C(=O)CCC1=O 7a_100000690336_100009820769 [0,1,0,0,0,0|2,0,1]=4 225 B13R1.1133 CSCOCCN1C(=O)CCC1=O 34a_100000230492_100011218213 [0,1,0,0,0,0|3,0,0]=4 226 B13R1.1133 CSCSCCN1C(=O)CCC1=O 62a_100011218213_100000736797 [0,1,0,0,0,0|3,0,0]=4 227 B13R1.1133 NCCOCCN1C(=O)CCC1=O 34a_100000210304_100000736797 [0,1,0,0,0,0|3,0,0]=4 228 B13R1.1133 O=C1CCC(=O)C1NCCCCO 2230a_100000750430_100009820769 [0,1,0,0,0,0|2,0,1]=4 229 B13R1.1133 O=C1CCC(=O)C1OCCCCCl 7a_100000210776_100009820769 [0,1,0,0,0,0|2,0,1]=4 230 B13R1.1133 O=C1CCC(=O)C1OCCCCF 7a_100011995726_100009820769 [0,1,0,0,0,0|2,0,1]=4 231 B13R1.1133 O=C1CCC(=O)C1SCCCCF 62a_100000729493_100009820769 [0,1,0,0,0,0|2,0,1]=4 232 B13R1.1133 O=C1CCC(=O)C1SCCCCF 62a_100009820769_100000729493 [0,1,0,0,0,0|2,0,1]=4 233 B13R1.1133 O=C1CCC(=O)C1SCCCCO 62a_100000210776_100009820769 [0,1,0,0,0,0|2,0,1]=4 234 B13R1.1133 O=C1CCC(=O)C1SCCCCO 62a_100009820769_100000210776 [0,1,0,0,0,0|2,0,1]=4 235 B13R1.1133 O=C1CCC(=O)N1CCCSCF 62a_100015361967_100011259146 [0,1,0,0,0,0|3,0,0]=4 236 B13R1.1133 O=C1CCC(=O)N1CCNCCF 34a_100000724931_100000736797 [0,1,0,0,0,0|3,0,0]=4 237 B13R1.1133 O=C1CCC(=O)N1CCNCCO 2230a_100016997473_100000736797 [0,1,0,0,0,0|3,0,0]=4 238 B13R1.1133 O=C1CCC(=O)N1CCNCCO 34a_100016990907_100000736797 [0,1,0,0,0,0|3,0,0]=4 239 B13R1.1133 O=C1CCC(=O)N1CCOCCBr 34a_100000211926_100000736797 [0,1,0,0,0,0|3,0,0]=4 240 B13R1.1133 O=C1CCC(=O)N1CCOCCF 34a_100000230492_100011217306 [0,1,0,0,0,0|3,0,0]=4 241 B13R1.1133 O=C1CCC(=O)N1CCOCCO 34a_100000230492_100000211926 [0,1,0,0,0,0|3,0,0]=4 242 B13R1.1133 O=C1CCC(=O)N1CCSCCF 62a_100011217306_100000736797 [0,1,0,0,0,0|3,0,0]=4 243 B13R1.1133 O=C1CCC(=O)N1CCSCCO 62a_100000211926_100000736797 [0,1,0,0,0,0|3,0,0]=4 244 B13R1.2042 CCC(=O)CCN1C(=O)CCC1=O 1458a_100000184106_100000210202 [0,1,0,0,0,0|2,0,1]=4 245 B13R1.2042 CCC(=O)CCN1C(=O)CCC1=O 1458a_100000210414_100000736797 [0,1,0,0,0,0|2,0,1]=4 246 B13R1.2042 CCC(C)CNC1C(=O)CCC1=O 2230a_100020588543_100009820769 [0,1,0,0,0,0|2,0,1]=4 247 B13R1.2042 CCC(C)CSC1C(=O)CCC1=O 62a_100000748023_100009820769 [0,1,0,0,0,0|2,0,1]=4 248 B13R1.2042 CCC(C)CSC1C(=O)CCC1=O 62a_100009820769_100000748023 [0,1,0,0,0,0|2,0,1]=4 249 B13R1.2042 CCC(O)CNC1C(=O)CCC1=O 2230a_100011218483_100009820769 [0,1,0,0,0,0|2,0,1]=4 250 B13R1.2042 CCC(O)CSC1C(=O)CCC1=O 62a_100009820769_100011218378 [0,1,0,0,0,0|2,0,1]=4 251 B13R1.2042 CCC(O)CSC1C(=O)CCC1=O 62a_100011218378_100009820769 [0,1,0,0,0,0|2,0,1]=4 252 B13R1.2042 CCN(C)CCN1C(=O)CCC1=O 2230a_100000225621_100000736797 [0,1,0,0,0,0|3,0,0]=4 253 B13R1.2042 CCN(C)CCN1C(=O)CCC1=O 269982a_100000225621_100000736797 [0,1,0,0,0,0|3,0,0]=4 254 B13R1.2042 CC[C@H](C)COC1C(=O)CCC1=O 7a_100009816381_100009820769 [0,1,0,0,0,0|2,0,1]=4 255 B13R1.2042 CC[C@H](C)CSC1C(=O)CCC1=O 62a_100009816398_100009820769 [0,1,0,0,0,0|2,0,1]=4 256 B13R1.2042 CC[C@H](C)CSC1C(=O)CCC1=O 62a_100009820769_100009816398 [0,1,0,0,0,0|2,0,1]=4 257 B13R1.2515 CCCCN(C)C1C(=O)CCC1=O 2230a_100000207549_100009820769 [0,1,0,0,0,0|2,0,1]=4 258 B13R1.2515 CCCCN(C)C1C(=O)CCC1=O 269982a_100000207549_200134615298 [0,1,0,0,0,0|2,0,1]=4 259 B13R1.2565 CCCC(=O)CN1C(=O)CCC1=O 1458a_100000186450_100000210303 [0,1,0,0,0,0|2,0,1]=4 260 B13R1.2565 CCCC(C)NC1C(=O)CCC1=O 2230a_100000741246_100009820769 [0,1,0,0,0,0|2,0,1]=4 261 B13R1.2565 CCCC(C)OC1C(=O)CCC1=O 7a_100000764384_100009820769 [0,1,0,0,0,0|2,0,1]=4 262 B13R1.2565 CCCC(C)SC1C(=O)CCC1=O 62a_100000766640_100009820769 [0,1,0,0,0,0|2,0,1]=4 263 B13R1.2565 CCCC(C)SC1C(=O)CCC1=O 62a_100009820769_100000766640 [0,1,0,0,0,0|2,0,1]=4 264 B13R1.2923 CCCCSc1c(n[nH]c1C=O)C 62a_100000210211_100009820796 [0,1,0,0,0,0|3,0,0]=4 265 B13R1.2923 CCCCSc1c(n[nH]c1C=O)C 62a_100009820796_100000210210 [0,1,0,0,0,0|3,0,0]=4 266 B13R1.3529 CC(=O)CCCN1C(=O)CCC1=O 1458a_100000070787_100011259146 [0,1,0,0,0,0|2,0,1]=4 267 B13R1.3529 CC(C)CCOC1C(=O)CCC1=O 7a_100000210254_100009820769 [0,1,0,0,0,0|2,0,1]=4 268 B13R1.3529 CC(C)CCSC1C(=O)CCC1=O 62a_100000210312_100009820769 [0,1,0,0,0,0|2,0,1]=4 269 B13R1.3529 CC(C)CCSC1C(=O)CCC1=O 62a_100009820769_100000210312 [0,1,0,0,0,0|2,0,1]=4 270 B13R1.3529 CC(C)NCCN1C(=O)CCC1=O 2230a_100138425928_100000736797 [0,1,0,0,0,0|3,0,0]=4 271 B13R1.3529 CC(C)NCCN1C(=O)CCC1=O 34a_100138425928_100000736797 [0,1,0,0,0,0|3,0,0]=4 272 B13R1.3529 CC(C)OCCN1C(=O)CCC1=O 34a_100000212225_100000736797 [0,1,0,0,0,0|3,0,0]=4 273 B13R1.3529 CC(C)OCCN1C(=O)CCC1=O 34a_100000230492_100000210206 [0,1,0,0,0,0|3,0,0]=4 274 B13R1.3529 CC(C)SCCN1C(=O)CCC1=O 62a_100000210206_100000736797 [0,1,0,0,0,0|3,0,0]=4 275 B13R1.3529 CC(O)CCNC1C(=O)CCC1=O 2230a_200000755665_100009820769 [0,1,0,0,0,0|2,0,1]=4 276 B13R1.3529 CC(O)CCSC1C(=O)CCC1=O 62a_100009820769_100012276601 [0,1,0,0,0,0|2,0,1]=4 277 B13R1.3529 CC(O)CCSC1C(=O)CCC1=O 62a_100012276601_100009820769 [0,1,0,0,0,0|2,0,1]=4 278 B13R1.3529 CN(C)CCCN1C(=O)CCC1=O 2230a_100102631434_100011259146 [0,1,0,0,0,0|3,0,0]=4 279 B13R1.3529 CN(C)CCCN1C(=O)CCC1=O 269982a_100102631434_100011259146 [0,1,0,0,0,0|3,0,0]=4 280 B13R1.6200 CCOCCc1c([nH]n(c1=O)C)C 34a_100000067163_100000210202 [0,1,0,0,0,0|3,0,0]=4 281 B11R0.75 CCC(=O)N(CC)CCCCO 240690a_100011217355_100000210414 [0,0,1,0,0,0|2,0,1]=4 282 B11R0.75 CCCCCC(CC)C(=O)CC 1458a_100000697129_100000210202 [0,0,1,0,0,0|0,0,2]=3 283 B11R0.75 CCCCCC(CC)C(=O)CF 1458a_100000697129_100015361967 [0,0,1,0,0,0|1,0,2]=4 284 B11R0.75 CCCCCC(CC)C(=O)NC 11a_106832991635_100000697129 [0,0,1,0,0,0|1,0,2]=4 285 B11R0.75 CCCCCC(CC)C(=O)NC 1626a_100102657272_100000697129 [0,0,1,0,0,0|1,0,2]=4 286 B11R0.75 CCCCCC(CC)C(=O)NC 240690a_100102657272_100000697129 [0,0,1,0,0,0|1,0,2]=4 287 B11R0.75 CCCCCC(CC)C(=O)NC 527a_100102657272_100000697129 [0,0,1,0,0,0|1,0,2]=4 288 B11R0.75 CCCCCC(NC)C(=O)NC 2230a_200121577139_200000210301 [0,0,1,0,0,0|2,0,1]=4 289 B11R0.75 CCCCCC(NC)C(=O)NC 34a_200121577139_200000210301 [0,0,1,0,0,0|2,0,1]=4 290 B11R0.75 CCCCCC(N[13CH3])C(=O)NC 2230a_200121577139_200025704644 [0,0,1,0,0,0|2,0,1]=4 291 B11R0.75 CCCCCC(N[13CH3])C(=O)NC 34a_200121577139_200025704644 [0,0,1,0,0,0|2,0,1]=4 292 B11R0.75 CCCCOC(CC)C(=O)CC 34a_200011218131_100000210210 [0,0,1,0,0,0|1,0,2]=4 293 B11R0.75 CCCCOC(CC)C(=O)CC 7a_200011218131_100000210211 [0,0,1,0,0,0|1,0,2]=4 294 B11R0.81 C#CCCC(=O)C=CCCCC 1458a_100016266645_100000753159 [0,0,1,0,0,0|0,0,3]=4 295 B11R0.81 C#CCCC(=O)CCCCCC 1458a_100000692101_100000210757 [0,0,1,0,0,0|0,0,3]=4 296 B11R0.81 C#CCCC(=O)CCCCCC 1458a_100102632555_100000753159 [0,0,1,0,0,0|0,0,3]=4 297 B11R0.81 C#CCCC(=O)NCCCCC 11a_100000209983_100000692101 [0,0,1,0,0,0|1,0,2]=4 298 B11R0.81 C#CCCC(=O)NCCCCC 1626a_100000209983_100000692101 [0,0,1,0,0,0|1,0,2]=4 299 B11R0.81 C#CCCC(=O)NCCCCC 240690a_100000209983_100000692101 [0,0,1,0,0,0|1,0,2]=4 300 B11R0.81 C#CCCC(=O)NCCCCC 527a_100000209983_100000692101 [0,0,1,0,0,0|1,0,2]=4 301 B11R0.81 C/C=C/CC(=O)C=CCCCC 1458a_100016266645_100102629194 [0,0,1,0,0,0|0,0,2]=3 302 B11R0.81 C/C=C/CC(=O)CCCCCC 1458a_100102632555_100102629194 [0,0,1,0,0,0|0,0,2]=3 303 B11R0.81 C/C=C/CC(=O)CCCCCO 1458a_100102619762_100102629194 [0,0,1,0,0,0|1,0,2]=4 304 B11R0.81 C/C=C/CC(=O)COCCCC 1458a_100000757543_100102629194 [0,0,1,0,0,0|1,0,2]=4 305 B11R0.81 C/C=C/CC(=O)CSCCCC 1458a_100000191162_100102629194 [0,0,1,0,0,0|1,0,2]=4 306 B11R0.81 C=CCCC(=NNCCCC)C 4a_100025702795_100000762624 [0,0,1,0,0,0|3,0,0]=4 307 B11R0.81 C=CCCC(=O)C=CCCCC 1458a_100016266645_100000754431 [0,0,1,0,0,0|0,0,2]=3 308 B11R0.81 C=CCCC(=O)CCCCCC 1458a_100000749702_100000210757 [0,0,1,0,0,0|0,0,2]=3 309 B11R0.81 C=CCCC(=O)CCCCCC 1458a_100102632555_100000754431 [0,0,1,0,0,0|0,0,2]=3 310 B11R0.81 C=CCCC(=O)CCCCCF 1458a_100000749702_100000729378 [0,0,1,0,0,0|1,0,2]=4 311 B11R0.81 C=CCCC(=O)CCCCCO 1458a_100000749702_100000746330 [0,0,1,0,0,0|1,0,2]=4 312 B11R0.81 C=CCCC(=O)CCCCCO 1458a_100102619762_100000754431 [0,0,1,0,0,0|1,0,2]=4 313 B11R0.81 C=CCCC(=O)CCCCOC 1458a_100000749702_100000755781 [0,0,1,0,0,0|1,0,2]=4 314 B11R0.81 C=CCCC(=O)CCCOCC 1458a_100000749702_100012232248 [0,0,1,0,0,0|1,0,2]=4 315 B11R0.81 C=CCCC(=O)CCOCCC 1458a_100000749702_100011215938 [0,0,1,0,0,0|1,0,2]=4 316 B11R0.81 C=CCCC(=O)COCCCC 1458a_100000749702_100011995733 [0,0,1,0,0,0|1,0,2]=4 317 B11R0.81 C=CCCC(=O)COCCCC 1458a_100000757543_100000754431 [0,0,1,0,0,0|1,0,2]=4 318 B11R0.81 C=CCCC(=O)CSCCCC 1458a_100000191162_100000754431 [0,0,1,0,0,0|1,0,2]=4 319 B11R0.81 C=CCCC(=O)NCCCCC 11a_100000209983_100000749702 [0,0,1,0,0,0|1,0,1]=3 320 B11R0.81 C=CCCC(=O)NCCCCC 1626a_100000209983_100000749702 [0,0,1,0,0,0|1,0,1]=3 321 B11R0.81 C=CCCC(=O)NCCCCC 240690a_100000209983_100000749702 [0,0,1,0,0,0|1,0,1]=3 322 B11R0.81 C=CCCC(=O)NCCCCC 527a_100000209983_100000749702 [0,0,1,0,0,0|1,0,1]=3 323 B11R0.81 C=CCCC(=O)NCCCCO 240690a_100000750430_100000749702 [0,0,1,0,0,0|2,0,1]=4 324 B11R0.81 C=CCCC(=O)NCCCCO 527a_100000750430_100000749702 [0,0,1,0,0,0|2,0,1]=4 325 B11R0.81 C=CCCC(=O)NCCCOC 1626a_100150723488_100000749702 [0,0,1,0,0,0|2,0,1]=4 326 B11R0.81 C=CCCC(=O)NCCCOC 240690a_100150723488_100000749702 [0,0,1,0,0,0|2,0,1]=4 327 B11R0.81 C=CCCC(=O)NCCCOC 527a_100150723488_100000749702 [0,0,1,0,0,0|2,0,1]=4 328 B11R0.81 C=CCCC(=O)NCCCSC 11a_100000749238_100000749702 [0,0,1,0,0,0|2,0,1]=4 329 B11R0.81 C=CCCC(=O)NCCCSC 1626a_100000749238_100000749702 [0,0,1,0,0,0|2,0,1]=4 330 B11R0.81 C=CCCC(=O)NCCCSC 240690a_100000749238_100000749702 [0,0,1,0,0,0|2,0,1]=4 331 B11R0.81 C=CCCC(=O)NCCCSC 527a_100000749238_100000749702 [0,0,1,0,0,0|2,0,1]=4 332 B11R0.81 C=CCCC(=O)NCCOCC 11a_100011200944_100000749702 [0,0,1,0,0,0|2,0,1]=4 333 B11R0.81 C=CCCC(=O)NCCOCC 1626a_102516460346_100000749702 [0,0,1,0,0,0|2,0,1]=4 334 B11R0.81 C=CCCC(=O)NCCOCC 240690a_100011200944_100000749702 [0,0,1,0,0,0|2,0,1]=4 335 B11R0.81 C=CCCC(=O)NCCOCC 527a_100011200944_100000749702 [0,0,1,0,0,0|2,0,1]=4 336 B11R0.81 C=CCCC(=O)NCCSCC 11a_100000106463_100000749702 [0,0,1,0,0,0|2,0,1]=4 337 B11R0.81 C=CCCC(=O)NCCSCC 1626a_100000106463_100000749702 [0,0,1,0,0,0|2,0,1]=4 338 B11R0.81 C=CCCC(=O)NCCSCC 240690a_100000106463_100000749702 [0,0,1,0,0,0|2,0,1]=4 339 B11R0.81 C=CCCC(=O)NCCSCC 527a_100000106463_100000749702 [0,0,1,0,0,0|2,0,1]=4 340 B11R0.81 C=CCCC(=O)NNCCCC 22a_100025702795_100000749702 [0,0,1,0,0,0|2,0,1]=4 341 B11R0.81 C=CCCC(C)NCCCCC 270004a_100000209983_100000762624 [0,0,1,0,0,0|2,0,1]=4 342 B11R0.81 C=CCCC(C)OCCCCC 34a_100000765329_100000718602 [0,0,1,0,0,0|2,0,1]=4 343 B11R0.81 C=CCCC(C)OCCCCC 7a_100000765329_100000210326 [0,0,1,0,0,0|2,0,1]=4 344 B11R0.81 C=CCCN(C)CCCCCC 2230a_100020639649_100000210314 [0,0,1,0,0,0|2,0,1]=4 345 B11R0.81 C=CCCN(C)CCCCCC 2230a_106256046315_100000754431 [0,0,1,0,0,0|2,0,1]=4 346 B11R0.81 C=CCCN(C)CCCCCC 269982a_100020639649_100000210757 [0,0,1,0,0,0|2,0,1]=4 347 B11R0.81 C=CCCN(C)CCCCCC 269982a_106256046315_100000754431 [0,0,1,0,0,0|2,0,1]=4 348 B11R0.81 C=CCNC(=O)C=CCCCC 1626a_100020586998_100016266645 [0,0,1,0,0,0|1,0,2]=4 349 B11R0.81 C=CCNC(=O)C=CCCCC 240690a_100020586998_100016266645 [0,0,1,0,0,0|1,0,2]=4 350 B11R0.81 C=CCNC(=O)CCCCCC 1626a_100020586998_100102632555 [0,0,1,0,0,0|1,0,2]=4 351 B11R0.81 C=CCNC(=O)CCCCCC 240690a_100020586998_100102632555 [0,0,1,0,0,0|1,0,2]=4 352 B11R0.81 C=CCNC(=O)CCCCCC 527a_100020586998_100102632555 [0,0,1,0,0,0|1,0,2]=4 353 B11R0.81 C=CCNC(=O)NCCCCC 2708a_100000209983_100020586998 [0,0,1,0,0,0|2,0,1]=4 354 B11R0.81 C=CCNC(=O)NCCCCC 273464a_100000209983_100020586998 [0,0,1,0,0,0|2,0,1]=4 355 B11R0.81 C=CCNC(=O)NCCCCC 273464a_100020586998_100000209983 [0,0,1,0,0,0|2,0,1]=4 356 B11R0.81 C=CCNC(=O)NCCCCC 512a_100000209983_100020586998 [0,0,1,0,0,0|2,0,1]=4 357 B11R0.81 C=CCNC(=O)NCCCCC 512a_100020586998_100000209983 [0,0,1,0,0,0|2,0,1]=4 358 B11R0.81 CC#CCC(=O)C=CCCCC 1458a_100016266645_100000748600 [0,0,1,0,0,0|0,0,3]=4 359 B11R0.81 CC#CCC(=O)CCCCCC 1458a_100102632555_100000748600 [0,0,1,0,0,0|0,0,3]=4 360 B11R0.81 CC=CCC(=O)C=CCCCC 1458a_100016266645_100000070051 [0,0,1,0,0,0|0,0,2]=3 361 B11R0.81 CC=CCC(=O)CCCCCC 1458a_100102632555_100000070051 [0,0,1,0,0,0|0,0,2]=3 362 B11R0.81 CC=CCC(=O)CCCCCC 1458a_100121576822_100000210757 [0,0,1,0,0,0|0,0,2]=3 363 B11R0.81 CC=CCC(=O)CCCCCF 1458a_100121576822_100000729378 [0,0,1,0,0,0|1,0,2]=4 364 B11R0.81 CC=CCC(=O)CCCCCO 1458a_100102619762_100000070051 [0,0,1,0,0,0|1,0,2]=4 365 B11R0.81 CC=CCC(=O)CCCCCO 1458a_100121576822_100000746330 [0,0,1,0,0,0|1,0,2]=4 366 B11R0.81 CC=CCC(=O)CCCCOC 1458a_100121576822_100000755781 [0,0,1,0,0,0|1,0,2]=4 367 B11R0.81 CC=CCC(=O)CCCOCC 1458a_100121576822_100012232248 [0,0,1,0,0,0|1,0,2]=4 368 B11R0.81 CC=CCC(=O)CCOCCC 1458a_100121576822_100011215938 [0,0,1,0,0,0|1,0,2]=4 369 B11R0.81 CC=CCC(=O)COCCCC 1458a_100000757543_100000070051 [0,0,1,0,0,0|1,0,2]=4 370 B11R0.81 CC=CCC(=O)COCCCC 1458a_100121576822_100011995733 [0,0,1,0,0,0|1,0,2]=4 371 B11R0.81 CC=CCC(=O)CSCCCC 1458a_100000191162_100000070051 [0,0,1,0,0,0|1,0,2]=4 372 B11R0.81 CC=CCC(=O)NCCCCC 11a_100000209983_100121576822 [0,0,1,0,0,0|1,0,1]=3 373 B11R0.81 CC=CCC(=O)NCCCCC 1626a_100000209983_100121576822 [0,0,1,0,0,0|1,0,1]=3 374 B11R0.81 CC=CCC(=O)NCCCCC 240690a_100000209983_100121576822 [0,0,1,0,0,0|1,0,1]=3 375 B11R0.81 CC=CCC(=O)NCCCCC 527a_100000209983_100121576822 [0,0,1,0,0,0|1,0,1]=3 376 B11R0.81 CC=CCC(=O)NCCCCO 240690a_100000750430_100121576822 [0,0,1,0,0,0|2,0,1]=4 377 B11R0.81 CC=CCC(=O)NCCCCO 527a_100000750430_100121576822 [0,0,1,0,0,0|2,0,1]=4 378 B11R0.81 CC=CCC(=O)NCCCOC 1626a_100150723488_100121576822 [0,0,1,0,0,0|2,0,1]=4 379 B11R0.81 CC=CCC(=O)NCCCOC 240690a_100150723488_100121576822 [0,0,1,0,0,0|2,0,1]=4 380 B11R0.81 CC=CCC(=O)NCCCOC 527a_100150723488_100121576822 [0,0,1,0,0,0|2,0,1]=4 381 B11R0.81 CC=CCC(=O)NCCCSC 11a_100000749238_100121576822 [0,0,1,0,0,0|2,0,1]=4 382 B11R0.81 CC=CCC(=O)NCCCSC 1626a_100000749238_100121576822 [0,0,1,0,0,0|2,0,1]=4 383 B11R0.81 CC=CCC(=O)NCCCSC 240690a_100000749238_100121576822 [0,0,1,0,0,0|2,0,1]=4 384 B11R0.81 CC=CCC(=O)NCCCSC 527a_100000749238_100121576822 [0,0,1,0,0,0|2,0,1]=4 385 B11R0.81 CC=CCC(=O)NCCOCC 11a_100011200944_100121576822 [0,0,1,0,0,0|2,0,1]=4 386 B11R0.81 CC=CCC(=O)NCCOCC 1626a_102516460346_100121576822 [0,0,1,0,0,0|2,0,1]=4 387 B11R0.81 CC=CCC(=O)NCCOCC 240690a_100011200944_100121576822 [0,0,1,0,0,0|2,0,1]=4 388 B11R0.81 CC=CCC(=O)NCCOCC 527a_100011200944_100121576822 [0,0,1,0,0,0|2,0,1]=4 389 B11R0.81 CC=CCC(=O)NCCSCC 11a_100000106463_100121576822 [0,0,1,0,0,0|2,0,1]=4 390 B11R0.81 CC=CCC(=O)NCCSCC 1626a_100000106463_100121576822 [0,0,1,0,0,0|2,0,1]=4 391 B11R0.81 CC=CCC(=O)NCCSCC 240690a_100000106463_100121576822 [0,0,1,0,0,0|2,0,1]=4 392 B11R0.81 CC=CCC(=O)NCCSCC 527a_100000106463_100121576822 [0,0,1,0,0,0|2,0,1]=4 393 B11R0.81 CC=CCC(=O)NNCCCC 22a_100025702795_100121576822 [0,0,1,0,0,0|2,0,1]=4 394 B11R0.81 CC=NNC(=O)CCCCCC 4a_100011221127_200000210099 [0,0,1,0,0,0|2,0,1]=4 395 B11R0.81 CCCCC(=O)CCCCCF 1458a_100000210183_100000729378 [0,0,1,0,0,0|1,0,2]=4 396 B11R0.81 CCCCC(=O)CCCCCO 1458a_100000210183_100000746330 [0,0,1,0,0,0|1,0,2]=4 397 B11R0.81 CCCCC(=O)CCCCCO 1458a_100102619762_100000210211 [0,0,1,0,0,0|1,0,2]=4 398 B11R0.81 CCCCC(=O)CCCCOC 1458a_100000210183_100000755781 [0,0,1,0,0,0|1,0,2]=4 399 B11R0.81 CCCCC(=O)CCCOCC 1458a_100000210183_100012232248 [0,0,1,0,0,0|1,0,2]=4 400 B11R0.81 CCCCC(=O)CCOCCC 1458a_100000210183_100011215938 [0,0,1,0,0,0|1,0,2]=4 401 B11R0.81 CCCCC(=O)NCCCCO 240690a_100000750430_100000210183 [0,0,1,0,0,0|2,0,1]=4 402 B11R0.81 CCCCC(=O)NCCCCO 527a_100000750430_100000210183 [0,0,1,0,0,0|2,0,1]=4 403 B11R0.81 CCCCC(=O)NCCCOC 1626a_100150723488_100000210183 [0,0,1,0,0,0|2,0,1]=4 404 B11R0.81 CCCCC(=O)NCCCOC 240690a_100150723488_100000210183 [0,0,1,0,0,0|2,0,1]=4 405 B11R0.81 CCCCC(=O)NCCCOC 527a_100150723488_100000210183 [0,0,1,0,0,0|2,0,1]=4 406 B11R0.81 CCCCC(=O)NCCCSC 11a_100000749238_100000210183 [0,0,1,0,0,0|2,0,1]=4 407 B11R0.81 CCCCC(=O)NCCCSC 1626a_100000749238_100000210183 [0,0,1,0,0,0|2,0,1]=4 408 B11R0.81 CCCCC(=O)NCCCSC 240690a_100000749238_100000210183 [0,0,1,0,0,0|2,0,1]=4 409 B11R0.81 CCCCC(=O)NCCCSC 527a_100000749238_100000210183 [0,0,1,0,0,0|2,0,1]=4 410 B11R0.81 CCCCC(=O)NCCOCC 11a_100011200944_100000210183 [0,0,1,0,0,0|2,0,1]=4 411 B11R0.81 CCCCC(=O)NCCOCC 1626a_102516460346_100000210183 [0,0,1,0,0,0|2,0,1]=4 412 B11R0.81 CCCCC(=O)NCCOCC 240690a_100011200944_100000210183 [0,0,1,0,0,0|2,0,1]=4 413 B11R0.81 CCCCC(=O)NCCOCC 527a_100011200944_100000210183 [0,0,1,0,0,0|2,0,1]=4 414 B11R0.81 CCCCC(=O)NCCSCC 11a_100000106463_100000210183 [0,0,1,0,0,0|2,0,1]=4 415 B11R0.81 CCCCC(=O)NCCSCC 1626a_100000106463_100000210183 [0,0,1,0,0,0|2,0,1]=4 416 B11R0.81 CCCCC(=O)NCCSCC 240690a_100000106463_100000210183 [0,0,1,0,0,0|2,0,1]=4 417 B11R0.81 CCCCC(=O)NCCSCC 527a_100000106463_100000210183 [0,0,1,0,0,0|2,0,1]=4 418 B11R0.81 CCCCC=CC(=O)CCC#N 1458a_100016266645_100011215226 [0,0,1,0,0,0|1,0,2]=4 419 B11R0.81 CCCCC=CC(=O)CCCC 1458a_100016266645_100000210211 [0,0,1,0,0,0|0,0,2]=3 420 B11R0.81 CCCCC=CC(=O)CCCF 1458a_100016266645_100011934791 [0,0,1,0,0,0|1,0,2]=4 421 B11R0.81 CCCCC=CC(=O)CCCO 1458a_100016266645_100011215043 [0,0,1,0,0,0|1,0,2]=4 422 B11R0.81 CCCCC=CC(=O)CCOC 1458a_100016266645_100000233755 [0,0,1,0,0,0|1,0,1]=3 423 B11R0.81 CCCCC=CC(=O)CCSC 1458a_100016266645_100000751147 [0,0,1,0,0,0|1,0,1]=3 424 B11R0.81 CCCCC=CC(=O)NCCC 11a_100020643023_100016266645 [0,0,1,0,0,0|1,0,2]=4 425 B11R0.81 CCCCC=CC(=O)NCCC 1626a_100020643023_100016266645 [0,0,1,0,0,0|1,0,2]=4 426 B11R0.81 CCCCC=CC(=O)NCCC 240690a_100020643023_100016266645 [0,0,1,0,0,0|1,0,2]=4 427 B11R0.81 CCCCCCC(=O)CCC#N 1458a_100011934036_100000210757 [0,0,1,0,0,0|1,0,2]=4 428 B11R0.81 CCCCCCC(=O)CCC#N 1458a_100102632555_100011215226 [0,0,1,0,0,0|1,0,2]=4 429 B11R0.81 CCCCCCC(=O)CCCC 1458a_100000210183_100000210757 [0,0,1,0,0,0|0,0,2]=3 430 B11R0.81 CCCCCCC(=O)CCCC 1458a_100102632555_100000210211 [0,0,1,0,0,0|0,0,2]=3 431 B11R0.81 CCCCCCC(=O)CCCF 1458a_100102632555_100011934791 [0,0,1,0,0,0|1,0,2]=4 432 B11R0.81 CCCCCCC(=O)CCCO 1458a_100102632555_100011215043 [0,0,1,0,0,0|1,0,2]=4 433 B11R0.81 CCCCCCC(=O)CCOC 1458a_100000749529_100000210757 [0,0,1,0,0,0|1,0,1]=3 434 B11R0.81 CCCCCCC(=O)CCOC 1458a_100102632555_100000233755 [0,0,1,0,0,0|1,0,1]=3 435 B11R0.81 CCCCCCC(=O)CCSC 1458a_100000174002_100000210757 [0,0,1,0,0,0|1,0,1]=3 436 B11R0.81 CCCCCCC(=O)CCSC 1458a_100102632555_100000751147 [0,0,1,0,0,0|1,0,1]=3 437 B11R0.81 CCCCCCC(=O)COCC 1458a_100000211967_100000210757 [0,0,1,0,0,0|1,0,2]=4 438 B11R0.81 CCCCCCC(=O)CSCC 1458a_100000230394_100000210757 [0,0,1,0,0,0|1,0,2]=4 439 B11R0.81 CCCCCCC(=O)NCCC 11a_100020643023_100102632555 [0,0,1,0,0,0|1,0,2]=4 440 B11R0.81 CCCCCCC(=O)NCCC 1626a_100020643023_100102632555 [0,0,1,0,0,0|1,0,2]=4 441 B11R0.81 CCCCCCC(=O)NCCC 240690a_100020643023_100102632555 [0,0,1,0,0,0|1,0,2]=4 442 B11R0.81 CCCCCCC(=O)NCCC 527a_100020643023_100102632555 [0,0,1,0,0,0|1,0,2]=4 443 B11R0.81 CCCCCCC(C)NCC=O 2230a_100000210919_200015260668 [0,0,1,0,0,0|1,0,2]=4 444 B11R0.81 CCCCCCC(C)NCC=O 34a_100000210919_200009817547 [0,0,1,0,0,0|1,0,2]=4 445 B11R0.81 CCCCCCC(C)OCC=O 34a_100000210265_200009817547 [0,0,1,0,0,0|1,0,2]=4 446 B11R0.81 CCCCCCC(C)OCC=O 7a_100000210265_200015260668 [0,0,1,0,0,0|1,0,2]=4 447 B11R0.81 CCCCCCC(C)SCC=O 62a_100011215978_200015260668 [0,0,1,0,0,0|1,0,2]=4 448 B11R0.81 CCCCCCC(C)SCC=O 62a_200015260668_100011215978 [0,0,1,0,0,0|1,0,2]=4 449 B11R0.81 CCCCCNC(=O)CCC#N 11a_100000209983_100011934036 [0,0,1,0,0,0|2,0,1]=4 450 B11R0.81 CCCCCNC(=O)CCC#N 1626a_100000209983_100011934036 [0,0,1,0,0,0|2,0,1]=4 451 B11R0.81 CCCCCNC(=O)CCC#N 240690a_100000209983_100011934036 [0,0,1,0,0,0|2,0,1]=4 452 B11R0.81 CCCCCNC(=O)CCC#N 527a_100000209983_100011934036 [0,0,1,0,0,0|2,0,1]=4 453 B11R0.81 CCCCCNC(=O)CCCC 11a_100000209983_100000210183 [0,0,1,0,0,0|1,0,1]=3 454 B11R0.81 CCCCCNC(=O)CCCC 1626a_100000209983_100000210183 [0,0,1,0,0,0|1,0,1]=3 455 B11R0.81 CCCCCNC(=O)CCCC 240690a_100000209983_100000210183 [0,0,1,0,0,0|1,0,1]=3 456 B11R0.81 CCCCCNC(=O)CCCC 527a_100000209983_100000210183 [0,0,1,0,0,0|1,0,1]=3 457 B11R0.81 CCCCCNC(=O)CCOC 11a_100000209983_100000749529 [0,0,1,0,0,0|2,0,0]=3 458 B11R0.81 CCCCCNC(=O)CCOC 1626a_100000209983_100000749529 [0,0,1,0,0,0|2,0,0]=3 459 B11R0.81 CCCCCNC(=O)CCOC 240690a_100000209983_100000749529 [0,0,1,0,0,0|2,0,0]=3 460 B11R0.81 CCCCCNC(=O)CCOC 527a_100000209983_100000749529 [0,0,1,0,0,0|2,0,0]=3 461 B11R0.81 CCCCCNC(=O)CCSC 11a_100000209983_100000174002 [0,0,1,0,0,0|2,0,0]=3 462 B11R0.81 CCCCCNC(=O)CCSC 1626a_100000209983_100000174002 [0,0,1,0,0,0|2,0,0]=3 463 B11R0.81 CCCCCNC(=O)CCSC 240690a_100000209983_100000174002 [0,0,1,0,0,0|2,0,0]=3 464 B11R0.81 CCCCCNC(=O)CCSC 527a_100000209983_100000174002 [0,0,1,0,0,0|2,0,0]=3 465 B11R0.81 CCCCCNC(=O)CNCC 2230a_100015525214_100000230301 [0,0,1,0,0,0|2,0,1]=4 466 B11R0.81 CCCCCNC(=O)COCC 11a_100000209983_100000211967 [0,0,1,0,0,0|2,0,1]=4 467 B11R0.81 CCCCCNC(=O)COCC 1626a_100000209983_100000211967 [0,0,1,0,0,0|2,0,1]=4 468 B11R0.81 CCCCCNC(=O)COCC 240690a_100000209983_100000211967 [0,0,1,0,0,0|2,0,1]=4 469 B11R0.81 CCCCCNC(=O)COCC 34a_100121572206_100000230301 [0,0,1,0,0,0|2,0,1]=4 470 B11R0.81 CCCCCNC(=O)COCC 527a_100000209983_100000211967 [0,0,1,0,0,0|2,0,1]=4 471 B11R0.81 CCCCCNC(=O)CSCC 11a_100000209983_100000230394 [0,0,1,0,0,0|2,0,1]=4 472 B11R0.81 CCCCCNC(=O)CSCC 1626a_100000209983_100000230394 [0,0,1,0,0,0|2,0,1]=4 473 B11R0.81 CCCCCNC(=O)CSCC 240690a_100000209983_100000230394 [0,0,1,0,0,0|2,0,1]=4 474 B11R0.81 CCCCCNC(=O)CSCC 527a_100000209983_100000230394 [0,0,1,0,0,0|2,0,1]=4 475 B11R0.81 CCCCCNC(=O)CSCC 62a_100000210202_100000230301 [0,0,1,0,0,0|2,0,1]=4 476 B11R0.81 CCCCCNC(=O)CSCC 62a_100000230301_100000210202 [0,0,1,0,0,0|2,0,1]=4 477 B11R0.81 CCCCCNC(=O)NCCC 2708a_100000209983_100020643023 [0,0,1,0,0,0|2,0,1]=4 478 B11R0.81 CCCCCNC(=O)NCCC 2708a_100020643023_100000209983 [0,0,1,0,0,0|2,0,1]=4 479 B11R0.81 CCCCCNC(=O)NCCC 273464a_100000209983_100020643023 [0,0,1,0,0,0|2,0,1]=4 480 B11R0.81 CCCCCNC(=O)NCCC 273464a_100020643023_100000209983 [0,0,1,0,0,0|2,0,1]=4 481 B11R0.81 CCCCCNC(=O)NCCC 512a_100000209983_100020643023 [0,0,1,0,0,0|2,0,1]=4 482 B11R0.81 CCCCCNC(=O)NCCC 512a_100020643023_100000209983 [0,0,1,0,0,0|2,0,1]=4 483 B11R0.81 CCCCNNC(=O)CCCC 22a_100025702795_100000210183 [0,0,1,0,0,0|2,0,1]=4 484 B11R0.81 CCCCNNC(=O)CCOC 22a_100025702795_100000749529 [0,0,1,0,0,0|3,0,0]=4 485 B11R0.81 CCCCNNC(=O)CCSC 22a_100025702795_100000174002 [0,0,1,0,0,0|3,0,0]=4 486 B11R0.81 CCCCOCC(=O)CCCC 1458a_100000210183_100011995733 [0,0,1,0,0,0|1,0,2]=4 487 B11R0.81 CCCCOCC(=O)CCCC 1458a_100000757543_100000210211 [0,0,1,0,0,0|1,0,2]=4 488 B11R0.81 CCCCOCC(=O)CCOC 1458a_100000749529_100011995733 [0,0,1,0,0,0|2,0,1]=4 489 B11R0.81 CCCCOCC(=O)CCOC 1458a_100000757543_100000233755 [0,0,1,0,0,0|2,0,1]=4 490 B11R0.81 CCCCOCC(=O)CCSC 1458a_100000174002_100011995733 [0,0,1,0,0,0|2,0,1]=4 491 B11R0.81 CCCCOCC(=O)CCSC 1458a_100000757543_100000751147 [0,0,1,0,0,0|2,0,1]=4 492 B11R0.81 CCCCSCC(=O)CCCC 1458a_100000191162_100000210211 [0,0,1,0,0,0|1,0,2]=4 493 B11R0.81 CCCCSCC(=O)CCOC 1458a_100000191162_100000233755 [0,0,1,0,0,0|2,0,1]=4 494 B11R0.81 CCCCSCC(=O)CCSC 1458a_100000191162_100000751147 [0,0,1,0,0,0|2,0,1]=4 495 B11R0.81 CCCOCCC(=O)CCOC 1458a_100000749529_100011215938 [0,0,1,0,0,0|2,0,1]=4 496 B11R0.81 CCCOCCC(=O)CCSC 1458a_100000174002_100011215938 [0,0,1,0,0,0|2,0,1]=4 497 B11R0.81 CCOCCCC(=O)CCOC 1458a_100000749529_100012232248 [0,0,1,0,0,0|2,0,1]=4 498 B11R0.81 CCOCCCC(=O)CCSC 1458a_100000174002_100012232248 [0,0,1,0,0,0|2,0,1]=4 499 B11R0.81 CCOCCNC(=O)CCOC 11a_100011200944_100000749529 [0,0,1,0,0,0|3,0,0]=4 500 B11R0.81 CCOCCNC(=O)CCOC 1626a_102516460346_100000749529 [0,0,1,0,0,0|3,0,0]=4 501 B11R0.81 CCOCCNC(=O)CCOC 240690a_100011200944_100000749529 [0,0,1,0,0,0|3,0,0]=4 502 B11R0.81 CCOCCNC(=O)CCOC 527a_100011200944_100000749529 [0,0,1,0,0,0|3,0,0]=4 503 B11R0.81 CCOCCNC(=O)CCSC 11a_100011200944_100000174002 [0,0,1,0,0,0|3,0,0]=4 504 B11R0.81 CCOCCNC(=O)CCSC 1626a_102516460346_100000174002 [0,0,1,0,0,0|3,0,0]=4 505 B11R0.81 CCOCCNC(=O)CCSC 240690a_100011200944_100000174002 [0,0,1,0,0,0|3,0,0]=4 506 B11R0.81 CCOCCNC(=O)CCSC 527a_100011200944_100000174002 [0,0,1,0,0,0|3,0,0]=4 507 B11R0.81 CCSCCNC(=O)CCOC 11a_100000106463_100000749529 [0,0,1,0,0,0|3,0,0]=4 508 B11R0.81 CCSCCNC(=O)CCOC 1626a_100000106463_100000749529 [0,0,1,0,0,0|3,0,0]=4 509 B11R0.81 CCSCCNC(=O)CCOC 240690a_100000106463_100000749529 [0,0,1,0,0,0|3,0,0]=4 510 B11R0.81 CCSCCNC(=O)CCOC 527a_100000106463_100000749529 [0,0,1,0,0,0|3,0,0]=4 511 B11R0.81 CCSCCNC(=O)CCSC 11a_100000106463_100000174002 [0,0,1,0,0,0|3,0,0]=4 512 B11R0.81 CCSCCNC(=O)CCSC 1626a_100000106463_100000174002 [0,0,1,0,0,0|3,0,0]=4 513 B11R0.81 CCSCCNC(=O)CCSC 240690a_100000106463_100000174002 [0,0,1,0,0,0|3,0,0]=4 514 B11R0.81 CCSCCNC(=O)CCSC 527a_100000106463_100000174002 [0,0,1,0,0,0|3,0,0]=4 515 B11R0.81 COCCC(=O)CCCCCF 1458a_100000749529_100000729378 [0,0,1,0,0,0|2,0,1]=4 516 B11R0.81 COCCC(=O)CCCCCO 1458a_100000749529_100000746330 [0,0,1,0,0,0|2,0,1]=4 517 B11R0.81 COCCC(=O)CCCCCO 1458a_100102619762_100000233755 [0,0,1,0,0,0|2,0,1]=4 518 B11R0.81 COCCC(=O)NCCCCO 240690a_100000750430_100000749529 [0,0,1,0,0,0|3,0,0]=4 519 B11R0.81 COCCC(=O)NCCCCO 527a_100000750430_100000749529 [0,0,1,0,0,0|3,0,0]=4 520 B11R0.81 COCCC(=O)NCCCSC 11a_100000749238_100000749529 [0,0,1,0,0,0|3,0,0]=4 521 B11R0.81 COCCC(=O)NCCCSC 1626a_100000749238_100000749529 [0,0,1,0,0,0|3,0,0]=4 522 B11R0.81 COCCC(=O)NCCCSC 240690a_100000749238_100000749529 [0,0,1,0,0,0|3,0,0]=4 523 B11R0.81 COCCC(=O)NCCCSC 527a_100000749238_100000749529 [0,0,1,0,0,0|3,0,0]=4 524 B11R0.81 COCCCCC(=O)CCOC 1458a_100000749529_100000755781 [0,0,1,0,0,0|2,0,1]=4 525 B11R0.81 COCCCCC(=O)CCSC 1458a_100000174002_100000755781 [0,0,1,0,0,0|2,0,1]=4 526 B11R0.81 COCCCNC(=O)CCOC 1626a_100150723488_100000749529 [0,0,1,0,0,0|3,0,0]=4 527 B11R0.81 COCCCNC(=O)CCOC 240690a_100150723488_100000749529 [0,0,1,0,0,0|3,0,0]=4 528 B11R0.81 COCCCNC(=O)CCOC 527a_100150723488_100000749529 [0,0,1,0,0,0|3,0,0]=4 529 B11R0.81 COCCCNC(=O)CCSC 1626a_100150723488_100000174002 [0,0,1,0,0,0|3,0,0]=4 530 B11R0.81 COCCCNC(=O)CCSC 240690a_100150723488_100000174002 [0,0,1,0,0,0|3,0,0]=4 531 B11R0.81 COCCCNC(=O)CCSC 527a_100150723488_100000174002 [0,0,1,0,0,0|3,0,0]=4 532 B11R0.81 CSCCC(=O)CCCCCF 1458a_100000174002_100000729378 [0,0,1,0,0,0|2,0,1]=4 533 B11R0.81 CSCCC(=O)CCCCCO 1458a_100000174002_100000746330 [0,0,1,0,0,0|2,0,1]=4 534 B11R0.81 CSCCC(=O)CCCCCO 1458a_100102619762_100000751147 [0,0,1,0,0,0|2,0,1]=4 535 B11R0.81 CSCCC(=O)NCCCCO 240690a_100000750430_100000174002 [0,0,1,0,0,0|3,0,0]=4 536 B11R0.81 CSCCC(=O)NCCCCO 527a_100000750430_100000174002 [0,0,1,0,0,0|3,0,0]=4 537 B11R0.81 CSCCCNC(=O)CCSC 11a_100000749238_100000174002 [0,0,1,0,0,0|3,0,0]=4 538 B11R0.81 CSCCCNC(=O)CCSC 1626a_100000749238_100000174002 [0,0,1,0,0,0|3,0,0]=4 539 B11R0.81 CSCCCNC(=O)CCSC 240690a_100000749238_100000174002 [0,0,1,0,0,0|3,0,0]=4 540 B11R0.81 CSCCCNC(=O)CCSC 527a_100000749238_100000174002 [0,0,1,0,0,0|3,0,0]=4 541 B11R0.153 CC(=O)N(CCCCO)C(C)C 240690a_100011521146_100015343762 [0,0,1,0,0,0|2,0,1]=4 542 B11R0.153 CCCCCN(C(=O)C)C(C)C 11a_100000223497_100015343762 [0,0,1,0,0,0|1,0,1]=3 543 B11R0.153 CCCCCN(C(=O)C)C(C)C 1626a_100000223497_100015343762 [0,0,1,0,0,0|1,0,1]=3 544 B11R0.153 CCCCCN(C(=O)C)C(C)C 240690a_100000223497_100015343762 [0,0,1,0,0,0|1,0,1]=3 545 B11R0.153 CCCCCN(C(=O)C)C(C)C 527a_100000223497_100103153847 [0,0,1,0,0,0|1,0,1]=3 546 B11R0.153 CCCCSC(C(=O)C)C(=O)C 62a_100000210211_100000210371 [0,0,1,0,0,0|2,0,1]=4 547 B11R0.153 CCCCSC(C(=O)C)C(=O)C 62a_100000210371_100000210210 [0,0,1,0,0,0|2,0,1]=4 548 B13R2.2130 CCN1CCN2C(=O)CCC2C1 2230a_100020639069_100000210202 [0,0,0,1,0,0|2,0,1]=4 549 B13R2.2130 CCN1CCN2C(=O)CCC2C1 269982a_100020639069_100000204670 [0,0,0,1,0,0|2,0,1]=4 550 B13R2.2130 CCN1CCN2C(=O)CCC2C1 34a_100020639069_100000210202 [0,0,0,1,0,0|2,0,1]=4 551 B13R2.2150 CCN1CCN2C1(CCC2=O)C 2230a_100015200140_100000210202 [0,0,0,1,0,0|2,0,1]=4 552 B13R2.2150 CCN1CCN2C1(CCC2=O)C 269982a_100015200140_100000204670 [0,0,0,1,0,0|2,0,1]=4 553 B13R2.2150 CCN1CCN2C1(CCC2=O)C 34a_100015200140_100000210202 [0,0,0,1,0,0|2,0,1]=4 554 B13R2.2350 O=C1CCC(=O)C1NCC2CC2 2230a_100000735609_100009820769 [0,0,0,1,0,0|2,0,1]=4 555 B13R2.2350 O=C1CCC(=O)C1SCC2CC2 62a_100000756562_100009820769 [0,0,0,1,0,0|2,0,1]=4 556 B13R2.2350 O=C1CCC(=O)C1SCC2CC2 62a_100009820769_100000742324 [0,0,0,1,0,0|2,0,1]=4 557 B13R2.3042 O=C1CCC(=O)C1N2CCCC2 2230a_100000188435_100009820769 [0,0,0,1,0,0|2,0,1]=4 558 B13R2.3042 O=C1CCC(=O)C1N2CCCC2 269982a_100000188435_200134615298 [0,0,0,1,0,0|2,0,1]=4 559 B13R2.3068 O=C1CCC(=O)C1NC2CCC2 2230a_100000749019_100009820769 [0,0,0,1,0,0|2,0,1]=4 560 B13R2.3068 O=C1CCC(=O)C1SC2CCC2 62a_100009820769_100000749161 [0,0,0,1,0,0|2,0,1]=4 561 B13R2.5095 CC12CCC(=O)N1CCCN2[13CH3] 2230a_100015200138_200025704644 [0,0,0,1,0,0|2,0,1]=4 562 B13R2.5095 CC12CCC(=O)N1CCCN2[13CH3] 269982a_100015200138_200025704644 [0,0,0,1,0,0|2,0,1]=4 563 B13R2.5095 CC12CCC(=O)N1CCCN2[13CH3] 34a_100015200138_200025704644 [0,0,0,1,0,0|2,0,1]=4 564 B13R2.5095 CN1CCCN2C1(CCC2=O)C 2230a_100015200138_200000210301 [0,0,0,1,0,0|2,0,1]=4 565 B13R2.5095 CN1CCCN2C1(CCC2=O)C 269982a_100015200138_200000210301 [0,0,0,1,0,0|2,0,1]=4 566 B13R2.5095 CN1CCCN2C1(CCC2=O)C 34a_100015200138_200000210301 [0,0,0,1,0,0|2,0,1]=4 567 B13R2.5376 CC1CCN1C2C(=O)CCC2=O 269982a_100000755817_200134615298 [0,0,0,1,0,0|2,0,1]=4 568 B13R1.656 CCCCNc1cc(n[nH]c1=O)C 27a_100000102301_100009819039 [0,0,0,0,0,1|3,0,0]=4 569 B13R1.656 CCCCSc1cc(n[nH]c1=O)C 62a_100000210211_100009819039 [0,0,0,0,0,1|3,0,0]=4 570 B13R1.656 CCCCSc1cc(n[nH]c1=O)C 62a_100009819039_100000210210 [0,0,0,0,0,1|3,0,0]=4 571 B13R1.656 CCCCSc1nc(c[nH]c1=O)C 62a_100000210211_100009858157 [0,0,0,0,0,1|2,0,1]=4 572 B13R1.656 CCCCSc1nc(c[nH]c1=O)C 62a_100009858157_100000210210 [0,0,0,0,0,1|2,0,1]=4 573 B13R1.8919 CCCCNC1C(=O)CCCC1=O 2230a_100000102301_100009814513 [0,0,0,0,0,1|2,0,1]=4 574 B13R1.8919 CCCCNC1C(=O)CCCC1=O 7a_106832991798_100009814513 [0,0,0,0,0,1|2,0,1]=4 575 B13R1.8919 CCCCOC1C(=O)CCCC1=O 7a_100000210227_100009814513 [0,0,0,0,0,1|2,0,1]=4 576 B13R1.8919 CCCCOc1c(occc1=O)C 34a_100000031901_100000210210 [0,0,0,0,0,1|1,0,2]=4 577 B13R1.8919 CCCCSC1C(=O)CCCC1=O 62a_100000210211_100009814513 [0,0,0,0,0,1|2,0,1]=4 578 B13R1.8919 CCCCSC1C(=O)CCCC1=O 62a_100009814513_100000210210 [0,0,0,0,0,1|2,0,1]=4 579 B13R1.8919 CCCCSc1c(nc[nH]c1=O)C 62a_100000210211_100011356812 [0,0,0,0,0,1|2,0,1]=4 580 B13R1.8919 CCCCSc1c(nc[nH]c1=O)C 62a_100011356812_100000210210 [0,0,0,0,0,1|2,0,1]=4 581 B10R0.83 C/C=C(\C)/C(=O)CCCCC 1458a_100020587367_100000210326 [1,0,1,0,0,0|0,0,1]=3 582 B10R0.83 C/C=C(\C)/C(=O)CCCCF 1458a_100020587367_100000729493 [1,0,1,0,0,0|1,0,1]=4 583 B10R0.83 C/C=C(\C)/C(=O)CCCCO 1458a_100020587367_100000210776 [1,0,1,0,0,0|1,0,1]=4 584 B10R0.83 C/C=C(\C)/C(=O)CCCOC 1458a_100020587367_100000740836 [1,0,1,0,0,0|1,0,1]=4 585 B10R0.83 C/C=C(\C)/C(=O)CCOCC 1458a_100020587367_100011215890 [1,0,1,0,0,0|1,0,1]=4 586 B10R0.83 C/C=C(\C)/C(=O)CCSCC 1458a_100020587367_100000757381 [1,0,1,0,0,0|1,0,1]=4 587 B10R0.83 C/C=C(\C)/C(=O)NCCCC 11a_100000102301_100020587367 [1,0,1,0,0,0|1,0,1]=4 588 B10R0.83 C/C=C(\C)/C(=O)NCCCC 1626a_100000102301_100020587367 [1,0,1,0,0,0|1,0,1]=4 589 B10R0.83 C=C(COCCC)C(=O)OC 34a_100000210258_100009813391 [1,0,1,0,0,0|2,0,0]=4 590 B10R0.83 C=C(CSCCC)C(=O)OC 62a_100000210303_100009813391 [1,0,1,0,0,0|2,0,0]=4 591 B10R0.83 C=C(CSCCC)C(=O)OC 62a_100009813391_100000210303 [1,0,1,0,0,0|2,0,0]=4 592 B10R0.83 CCC(=O)N(C)CCCCO 240690a_100000717598_100000210414 [1,0,1,0,0,0|2,0,0]=4 593 B10R0.83 CCC(=O)N(C)CCCOC 11a_100000224831_100000210414 [1,0,1,0,0,0|2,0,0]=4 594 B10R0.83 CCC(=O)N(C)CCCOC 1626a_100000224831_100000210414 [1,0,1,0,0,0|2,0,0]=4 595 B10R0.83 CCC(=O)N(C)CCCOC 240690a_100000224831_100000210414 [1,0,1,0,0,0|2,0,0]=4 596 B10R0.83 CCC(=O)N(C)CCCOC 527a_100000224831_100000210414 [1,0,1,0,0,0|2,0,0]=4 597 B10R0.83 CCC(C)C(=O)CCCCF 1458a_100011192722_100000729493 [1,0,1,0,0,0|1,0,1]=4 598 B10R0.83 CCC(C)C(=O)CCCCO 1458a_100000695505_100000758301 [1,0,1,0,0,0|1,0,1]=4 599 B10R0.83 CCC(C)C(=O)CCCCO 1458a_100011192722_100000210776 [1,0,1,0,0,0|1,0,1]=4 600 B10R0.83 CCC(C)C(=O)CCCOC 1458a_100000741012_100000758301 [1,0,1,0,0,0|1,0,1]=4 601 B10R0.83 CCC(C)C(=O)CCCOC 1458a_100011192722_100000740836 [1,0,1,0,0,0|1,0,1]=4 602 B10R0.83 CCC(C)C(=O)CCCSC 1458a_100000173376_100000758301 [1,0,1,0,0,0|1,0,1]=4 603 B10R0.83 CCCCCC(=O)C(=O)NC 1458a_100011218921_100000210326 [1,0,1,0,0,0|2,0,0]=4 604 B10R0.83 CCCCCC(=O)C(C)CC 1458a_100000212188_100000758301 [1,0,1,0,0,0|0,0,1]=3 605 B10R0.83 CCCCCC(=O)C(C)CC 1458a_100011192722_100000210326 [1,0,1,0,0,0|0,0,1]=3 606 B10R0.83 CCCCCC(=O)C(C)OC 1458a_100000743197_100000210326 [1,0,1,0,0,0|1,0,1]=4 607 B10R0.83 CCCCCC(=O)C(C)SC 1458a_100000149566_100000210326 [1,0,1,0,0,0|1,0,1]=4 608 B10R0.83 CCCCCC(=O)C(O)CC 1458a_100011196387_100000210326 [1,0,1,0,0,0|1,0,1]=4 609 B10R0.83 CCCCCC(=O)N(C)CC 11a_100000225621_100000212188 [1,0,1,0,0,0|1,0,0]=3 610 B10R0.83 CCCCCC(=O)N(C)CC 1626a_100000225621_100000212188 [1,0,1,0,0,0|1,0,0]=3 611 B10R0.83 CCCCCC(=O)N(C)CC 240690a_100000225621_100000212188 [1,0,1,0,0,0|1,0,0]=3 612 B10R0.83 CCCCCC(=O)N(C)CC 527a_100000225621_100000212188 [1,0,1,0,0,0|1,0,0]=3 613 B10R0.83 CCCCCC(C)C(=O)CC 1458a_100000210414_200011218191 [1,0,1,0,0,0|0,0,1]=3 614 B10R0.83 CCCCCC(C)C(=O)CC 1458a_100011215998_100000210202 [1,0,1,0,0,0|0,0,1]=3 615 B10R0.83 CCCCCC(C)C(=O)CF 1458a_100011215998_100015361967 [1,0,1,0,0,0|1,0,1]=4 616 B10R0.83 CCCCCC(C)C(=O)CO 1458a_100000210174_200011218191 [1,0,1,0,0,0|1,0,1]=4 617 B10R0.83 CCCCCC(C)C(=O)NC 11a_106832991635_100011215998 [1,0,1,0,0,0|1,0,1]=4 618 B10R0.83 CCCCCC(C)C(=O)NC 1626a_100102657272_100011215998 [1,0,1,0,0,0|1,0,1]=4 619 B10R0.83 CCCCCC(C)C(=O)NC 240690a_100102657272_100011215998 [1,0,1,0,0,0|1,0,1]=4 620 B10R0.83 CCCCCC(C)C(=O)NC 527a_100102657272_100011215998 [1,0,1,0,0,0|1,0,1]=4 621 B10R0.83 CCCCCN(C)C(=O)CC 11a_100000223495_100000210414 [1,0,1,0,0,0|1,0,0]=3 622 B10R0.83 CCCCCN(C)C(=O)CC 1626a_100000223495_100000210414 [1,0,1,0,0,0|1,0,0]=3 623 B10R0.83 CCCCCN(C)C(=O)CC 240690a_100000223495_100000210414 [1,0,1,0,0,0|1,0,0]=3 624 B10R0.83 CCCCCN(C)C(=O)CC 527a_100000223495_100000210414 [1,0,1,0,0,0|1,0,0]=3 625 B10R0.83 CCCCCN(C)C(=O)CO 240690a_100000223495_100000210174 [1,0,1,0,0,0|2,0,0]=4 626 B10R0.83 CCCCCN(C)C(=O)CO 527a_100000223495_100000210174 [1,0,1,0,0,0|2,0,0]=4 627 B10R0.83 CCCCCN(C)C(=O)NC 2708a_100102657272_100000223495 [1,0,1,0,0,0|2,0,0]=4 628 B10R0.83 CCCCCN(C)C(=O)NC 273464a_100102657272_100000223495 [1,0,1,0,0,0|2,0,0]=4 629 B10R0.83 CCCCNC(=O)C(C)CC 11a_100000102301_100011192722 [1,0,1,0,0,0|1,0,1]=4 630 B10R0.83 CCCCNC(=O)C(C)CC 1626a_100000102301_100011192722 [1,0,1,0,0,0|1,0,1]=4 631 B10R0.83 CCCCNC(=O)C(C)CC 240690a_100000102301_100011192722 [1,0,1,0,0,0|1,0,1]=4 632 B10R0.83 CCCCNC(=O)C(C)CC 527a_100000102301_100011192722 [1,0,1,0,0,0|1,0,1]=4 633 B10R0.83 CCCCNC(=O)N(C)CC 2708a_100000102301_100000225621 [1,0,1,0,0,0|2,0,0]=4 634 B10R0.83 CCCCNC(=O)N(C)CC 273464a_100000102301_100000225621 [1,0,1,0,0,0|2,0,0]=4 635 B10R0.83 CCCCNC(C)C(=O)CC 2230a_100000102301_100000742827 [1,0,1,0,0,0|1,0,1]=4 636 B10R0.83 CCCCNC(C)C(=O)CC 7a_106832991798_100000742827 [1,0,1,0,0,0|1,0,1]=4 637 B10R0.83 CCCCOC(C)C(=O)CC 7a_100000210227_100000742827 [1,0,1,0,0,0|1,0,1]=4 638 B10R0.83 CCCCSC(C)C(=O)CC 1458a_100000191163_100000210202 [1,0,1,0,0,0|1,0,1]=4 639 B10R0.83 CCCCSC(C)C(=O)CC 62a_100000210211_100000742827 [1,0,1,0,0,0|1,0,1]=4 640 B10R0.83 CCCCSC(C)C(=O)CC 62a_100000742827_100000210210 [1,0,1,0,0,0|1,0,1]=4 641 B10R0.83 CCCOCC(=O)C(C)CC 1458a_100000745993_100000758301 [1,0,1,0,0,0|1,0,1]=4 642 B10R0.83 CCCOCC(=O)N(C)CC 11a_100000225621_100000745993 [1,0,1,0,0,0|2,0,0]=4 643 B10R0.83 CCCOCC(=O)N(C)CC 1626a_100000225621_100000745993 [1,0,1,0,0,0|2,0,0]=4 644 B10R0.83 CCCOCC(=O)N(C)CC 240690a_100000225621_100000745993 [1,0,1,0,0,0|2,0,0]=4 645 B10R0.83 CCCOCC(=O)N(C)CC 34a_100000210258_100000738999 [1,0,1,0,0,0|2,0,0]=4 646 B10R0.83 CCCOCC(=O)N(C)CC 527a_100000225621_100000745993 [1,0,1,0,0,0|2,0,0]=4 647 B10R0.83 CCCSCC(=O)C(C)CC 1458a_100000217233_100000758301 [1,0,1,0,0,0|1,0,1]=4 648 B10R0.83 CCCSCC(=O)N(C)CC 11a_100000225621_100000217233 [1,0,1,0,0,0|2,0,0]=4 649 B10R0.83 CCCSCC(=O)N(C)CC 1626a_100000225621_100000217233 [1,0,1,0,0,0|2,0,0]=4 650 B10R0.83 CCCSCC(=O)N(C)CC 240690a_100000225621_100000217233 [1,0,1,0,0,0|2,0,0]=4 651 B10R0.83 CCCSCC(=O)N(C)CC 527a_100000225621_100000217233 [1,0,1,0,0,0|2,0,0]=4 652 B10R0.83 CCCSCC(=O)N(C)CC 62a_100000210303_100000738999 [1,0,1,0,0,0|2,0,0]=4 653 B10R0.83 CCCSCC(=O)N(C)CC 62a_100000738999_100000210303 [1,0,1,0,0,0|2,0,0]=4 654 B10R0.83 CCN(C)C(=O)CCCCO 1626a_100000225621_100000695505 [1,0,1,0,0,0|2,0,0]=4 655 B10R0.83 CCN(C)C(=O)CCCOC 11a_100000225621_100000741012 [1,0,1,0,0,0|2,0,0]=4 656 B10R0.83 CCN(C)C(=O)CCCOC 1626a_100000225621_100000741012 [1,0,1,0,0,0|2,0,0]=4 657 B10R0.83 CCN(C)C(=O)CCCOC 240690a_100000225621_100000741012 [1,0,1,0,0,0|2,0,0]=4 658 B10R0.83 CCN(C)C(=O)CCCOC 527a_100000225621_100000741012 [1,0,1,0,0,0|2,0,0]=4 659 B10R0.83 CCN(C)C(=O)CCCSC 11a_100000225621_100000173376 [1,0,1,0,0,0|2,0,0]=4 660 B10R0.83 CCN(C)C(=O)CCCSC 1626a_100000225621_100000173376 [1,0,1,0,0,0|2,0,0]=4 661 B10R0.83 CCN(C)C(=O)CCCSC 240690a_100000225621_100000173376 [1,0,1,0,0,0|2,0,0]=4 662 B10R0.83 CCN(C)C(=O)CCCSC 527a_100000225621_100000173376 [1,0,1,0,0,0|2,0,0]=4 663 B10R0.83 CCOCCC(=O)C(C)CC 1458a_100000749530_100000758301 [1,0,1,0,0,0|1,0,1]=4 664 B10R0.83 CCOCCC(=O)C(C)CC 1458a_100011192722_100011215890 [1,0,1,0,0,0|1,0,1]=4 665 B10R0.83 CCOCCC(=O)N(C)CC 11a_100000225621_100000749530 [1,0,1,0,0,0|2,0,0]=4 666 B10R0.83 CCOCCC(=O)N(C)CC 1626a_100000225621_100000749530 [1,0,1,0,0,0|2,0,0]=4 667 B10R0.83 CCOCCC(=O)N(C)CC 240690a_100000225621_100000749530 [1,0,1,0,0,0|2,0,0]=4 668 B10R0.83 CCOCCC(=O)N(C)CC 527a_100000225621_100000749530 [1,0,1,0,0,0|2,0,0]=4 669 B10R0.83 CCSCCC(=O)C(C)CC 1458a_100000230768_100000758301 [1,0,1,0,0,0|1,0,1]=4 670 B10R0.83 CCSCCC(=O)C(C)CC 1458a_100011192722_100000757381 [1,0,1,0,0,0|1,0,1]=4 671 B10R0.83 CCSCCC(=O)N(C)CC 11a_100000225621_100000230768 [1,0,1,0,0,0|2,0,0]=4 672 B10R0.83 CCSCCC(=O)N(C)CC 1626a_100000225621_100000230768 [1,0,1,0,0,0|2,0,0]=4 673 B10R0.83 CCSCCC(=O)N(C)CC 240690a_100000225621_100000230768 [1,0,1,0,0,0|2,0,0]=4 674 B10R0.83 CCSCCC(=O)N(C)CC 527a_100000225621_100000230768 [1,0,1,0,0,0|2,0,0]=4 675 B10R0.85 CCCCC(CC)C(=O)CC 1458a_100000210414_200011216223 [1,0,1,0,0,0|0,0,2]=4 676 B10R0.85 CCCCC(CC)C(=O)CC 1458a_100000211130_100000210202 [1,0,1,0,0,0|0,0,2]=4 677 B10R0.85 CCCCN(CC)C(=O)CC 11a_100000207695_100000210414 [1,0,1,0,0,0|1,0,1]=4 678 B10R0.85 CCCCN(CC)C(=O)CC 1626a_100000207695_100000210414 [1,0,1,0,0,0|1,0,1]=4 679 B10R0.85 CCCCN(CC)C(=O)CC 240690a_100000207695_100000210414 [1,0,1,0,0,0|1,0,1]=4 680 B10R0.85 CCCCN(CC)C(=O)CC 527a_100000207695_100000210414 [1,0,1,0,0,0|1,0,1]=4 681 B10R0.86 CCCCCC(CC)C(=O)C 1458a_100000697129_200000210301 [1,0,1,0,0,0|0,0,2]=4 682 B10R0.86 CCCCCC(CC)C(=O)[13CH3] 1458a_100000697129_200025704644 [1,0,1,0,0,0|0,0,2]=4 683 B10R0.1 C=CCC(=O)C=CCCCC 1458a_100016266645_100000210623 [1,0,1,0,0,0|0,0,2]=4 684 B10R0.1 C=CCC(=O)CCCCCC 1458a_100000210193_100000210757 [1,0,1,0,0,0|0,0,2]=4 685 B10R0.1 C=CCC(=O)CCCCCC 1458a_100102632555_100000210623 [1,0,1,0,0,0|0,0,2]=4 686 B10R0.1 C=CCC(=O)NCCCCC 11a_100000209983_100000210193 [1,0,1,0,0,0|1,0,1]=4 687 B10R0.1 C=CCC(=O)NCCCCC 1626a_100000209983_100000210193 [1,0,1,0,0,0|1,0,1]=4 688 B10R0.1 C=CCC(=O)NCCCCC 240690a_100000209983_100000210193 [1,0,1,0,0,0|1,0,1]=4 689 B10R0.1 C=CCC(=O)NCCCCC 527a_100000209983_100000210193 [1,0,1,0,0,0|1,0,1]=4 690 B10R0.1 CC=CC(=O)CCCCCC 1458a_100000210699_100000210757 [1,0,1,0,0,0|0,0,2]=4 691 B10R0.1 CC=CC(=O)NCCCCC 11a_100000209983_100000210699 [1,0,1,0,0,0|1,0,1]=4 692 B10R0.1 CC=CC(=O)NCCCCC 1626a_100000209983_100000210699 [1,0,1,0,0,0|1,0,1]=4 693 B10R0.1 CC=CC(=O)NCCCCC 240690a_100000209983_100000210699 [1,0,1,0,0,0|1,0,1]=4 694 B10R0.1 CCCC(=O)CCCCCF 1458a_100000211992_100000729378 [1,0,1,0,0,0|1,0,1]=4 695 B10R0.1 CCCC(=O)CCCCCO 1458a_100000211992_100000746330 [1,0,1,0,0,0|1,0,1]=4 696 B10R0.1 CCCC(=O)CCCCCO 1458a_100102619762_100000210303 [1,0,1,0,0,0|1,0,1]=4 697 B10R0.1 CCCC(=O)CCCCOC 1458a_100000211992_100000755781 [1,0,1,0,0,0|1,0,1]=4 698 B10R0.1 CCCC(=O)CCCOCC 1458a_100000211992_100012232248 [1,0,1,0,0,0|1,0,1]=4 699 B10R0.1 CCCC(=O)NCCCCO 240690a_100000750430_100000211992 [1,0,1,0,0,0|2,0,0]=4 700 B10R0.1 CCCC(=O)NCCCCO 527a_100000750430_100000211992 [1,0,1,0,0,0|2,0,0]=4 701 B10R0.1 CCCC(=O)NCCCOC 1626a_100150723488_100000211992 [1,0,1,0,0,0|2,0,0]=4 702 B10R0.1 CCCC(=O)NCCCOC 240690a_100150723488_100000211992 [1,0,1,0,0,0|2,0,0]=4 703 B10R0.1 CCCC(=O)NCCCOC 527a_100150723488_100000211992 [1,0,1,0,0,0|2,0,0]=4 704 B10R0.1 CCCC(=O)NCCCSC 11a_100000749238_100000211992 [1,0,1,0,0,0|2,0,0]=4 705 B10R0.1 CCCC(=O)NCCCSC 1626a_100000749238_100000211992 [1,0,1,0,0,0|2,0,0]=4 706 B10R0.1 CCCC(=O)NCCCSC 240690a_100000749238_100000211992 [1,0,1,0,0,0|2,0,0]=4 707 B10R0.1 CCCC(=O)NCCCSC 527a_100000749238_100000211992 [1,0,1,0,0,0|2,0,0]=4 708 B10R0.1 CCCC(=O)NCCOCC 11a_100011200944_100000211992 [1,0,1,0,0,0|2,0,0]=4 709 B10R0.1 CCCC(=O)NCCOCC 1626a_102516460346_100000211992 [1,0,1,0,0,0|2,0,0]=4 710 B10R0.1 CCCC(=O)NCCOCC 240690a_100011200944_100000211992 [1,0,1,0,0,0|2,0,0]=4 711 B10R0.1 CCCC(=O)NCCOCC 527a_100011200944_100000211992 [1,0,1,0,0,0|2,0,0]=4 712 B10R0.1 CCCC(=O)NCCSCC 11a_100000106463_100000211992 [1,0,1,0,0,0|2,0,0]=4 713 B10R0.1 CCCC(=O)NCCSCC 1626a_100000106463_100000211992 [1,0,1,0,0,0|2,0,0]=4 714 B10R0.1 CCCC(=O)NCCSCC 240690a_100000106463_100000211992 [1,0,1,0,0,0|2,0,0]=4 715 B10R0.1 CCCC(=O)NCCSCC 527a_100000106463_100000211992 [1,0,1,0,0,0|2,0,0]=4 716 B10R0.1 CCCCC=CC(=O)CCC 1458a_100016266645_100000210303 [1,0,1,0,0,0|0,0,1]=3 717 B10R0.1 CCCCC=CC(=O)CCF 1458a_100016266645_100011217306 [1,0,1,0,0,0|1,0,1]=4 718 B10R0.1 CCCCC=CC(=O)CCO 1458a_100016266645_100000211926 [1,0,1,0,0,0|1,0,1]=4 719 B10R0.1 CCCCC=CC(=O)NCC 11a_100015525214_100016266645 [1,0,1,0,0,0|1,0,1]=4 720 B10R0.1 CCCCC=CC(=O)NCC 240690a_100015525214_100016266645 [1,0,1,0,0,0|1,0,1]=4 721 B10R0.1 CCCCCCC(=O)CCC 1458a_100000211992_100000210757 [1,0,1,0,0,0|0,0,1]=3 722 B10R0.1 CCCCCCC(=O)CCC 1458a_100102632555_100000210303 [1,0,1,0,0,0|0,0,1]=3 723 B10R0.1 CCCCCCC(=O)CCF 1458a_100102632555_100011217306 [1,0,1,0,0,0|1,0,1]=4 724 B10R0.1 CCCCCCC(=O)CCO 1458a_100011216618_100000210757 [1,0,1,0,0,0|1,0,1]=4 725 B10R0.1 CCCCCCC(=O)CCO 1458a_100102632555_100000211926 [1,0,1,0,0,0|1,0,1]=4 726 B10R0.1 CCCCCCC(=O)COC 1458a_100000210968_100000210757 [1,0,1,0,0,0|1,0,1]=4 727 B10R0.1 CCCCCCC(=O)CSC 1458a_100000184570_100000210757 [1,0,1,0,0,0|1,0,1]=4 728 B10R0.1 CCCCCCC(=O)NCC 11a_100015525214_100102632555 [1,0,1,0,0,0|1,0,1]=4 729 B10R0.1 CCCCCCC(=O)NCC 240690a_100015525214_100102632555 [1,0,1,0,0,0|1,0,1]=4 730 B10R0.1 CCCCCCC(=O)NCC 527a_100015525214_100102632555 [1,0,1,0,0,0|1,0,1]=4 731 B10R0.1 CCCCCCN(C)CC=O 2230a_106256046315_200015260668 [1,0,1,0,0,0|1,0,1]=4 732 B10R0.1 CCCCCCN(C)CC=O 269982a_106256046315_200015260668 [1,0,1,0,0,0|1,0,1]=4 733 B10R0.1 CCCCCNC(=O)CCC 11a_100000209983_100000211992 [1,0,1,0,0,0|1,0,0]=3 734 B10R0.1 CCCCCNC(=O)CCC 1626a_100000209983_100000211992 [1,0,1,0,0,0|1,0,0]=3 735 B10R0.1 CCCCCNC(=O)CCC 240690a_100000209983_100000211992 [1,0,1,0,0,0|1,0,0]=3 736 B10R0.1 CCCCCNC(=O)CCC 527a_100000209983_100000211992 [1,0,1,0,0,0|1,0,0]=3 737 B10R0.1 CCCCCNC(=O)CCO 240690a_100000209983_100011216618 [1,0,1,0,0,0|2,0,0]=4 738 B10R0.1 CCCCCNC(=O)CNC 2230a_106832991635_100000230301 [1,0,1,0,0,0|2,0,0]=4 739 B10R0.1 CCCCCNC(=O)CNC 34a_100102657272_100000230301 [1,0,1,0,0,0|2,0,0]=4 740 B10R0.1 CCCCCNC(=O)CNC 7a_106832991635_100000230301 [1,0,1,0,0,0|2,0,0]=4 741 B10R0.1 CCCCCNC(=O)COC 11a_100000209983_100000210968 [1,0,1,0,0,0|2,0,0]=4 742 B10R0.1 CCCCCNC(=O)COC 1626a_100000209983_100000210968 [1,0,1,0,0,0|2,0,0]=4 743 B10R0.1 CCCCCNC(=O)COC 240690a_100000209983_100000210968 [1,0,1,0,0,0|2,0,0]=4 744 B10R0.1 CCCCCNC(=O)COC 34a_100138415774_100000230301 [1,0,1,0,0,0|2,0,0]=4 745 B10R0.1 CCCCCNC(=O)COC 527a_100000209983_100000210968 [1,0,1,0,0,0|2,0,0]=4 746 B10R0.1 CCCCCNC(=O)CSC 11a_100000209983_100000184570 [1,0,1,0,0,0|2,0,0]=4 747 B10R0.1 CCCCCNC(=O)CSC 1626a_100000209983_100000184570 [1,0,1,0,0,0|2,0,0]=4 748 B10R0.1 CCCCCNC(=O)CSC 240690a_100000209983_100000184570 [1,0,1,0,0,0|2,0,0]=4 749 B10R0.1 CCCCCNC(=O)CSC 527a_100000209983_100000184570 [1,0,1,0,0,0|2,0,0]=4 750 B10R0.1 CCCCCNC(=O)CSC 62a_100000230301_200000210301 [1,0,1,0,0,0|2,0,0]=4 751 B10R0.1 CCCCCNC(=O)CSC 62a_200000210301_100000230301 [1,0,1,0,0,0|2,0,0]=4 752 B10R0.1 CCCCCNC(=O)CS[13CH3] 62a_100000230301_200025704644 [1,0,1,0,0,0|2,0,0]=4 753 B10R0.1 CCCCCNC(=O)CS[13CH3] 62a_200025704644_100000230301 [1,0,1,0,0,0|2,0,0]=4 754 B10R0.1 CCCCCNC(=O)NCC 2708a_100000209983_100015525214 [1,0,1,0,0,0|2,0,0]=4 755 B10R0.1 CCCCCNC(=O)NCC 2708a_100015525214_100000209983 [1,0,1,0,0,0|2,0,0]=4 756 B10R0.1 CCCCCNC(=O)NCC 273464a_100000209983_100015525214 [1,0,1,0,0,0|2,0,0]=4 757 B10R0.1 CCCCCNC(=O)NCC 273464a_100015525214_100000209983 [1,0,1,0,0,0|2,0,0]=4 758 B10R0.1 CCCCCNC(=O)NCC 512a_100000209983_100015525214 [1,0,1,0,0,0|2,0,0]=4 759 B10R0.1 CCCCCNC(=O)NCC 512a_100015525214_100000209983 [1,0,1,0,0,0|2,0,0]=4 760 B10R0.1 CCCCNCC(=O)CCC 2230a_100000102301_100000747444 [1,0,1,0,0,0|1,0,1]=4 761 B10R0.1 CCCCNCC(=O)CCC 7a_106832991798_100000747444 [1,0,1,0,0,0|1,0,1]=4 762 B10R0.1 CCCCNNC(=O)CCC 22a_100025702795_100000211992 [1,0,1,0,0,0|2,0,0]=4 763 B10R0.1 CCCCOCC(=O)CCC 1458a_100000211992_100011995733 [1,0,1,0,0,0|1,0,1]=4 764 B10R0.1 CCCCOCC(=O)CCC 1458a_100000757543_100000210303 [1,0,1,0,0,0|1,0,1]=4 765 B10R0.1 CCCCOCC(=O)CCC 7a_100000210227_100000747444 [1,0,1,0,0,0|1,0,1]=4 766 B10R0.1 CCCCSCC(=O)CCC 1458a_100000191162_100000210303 [1,0,1,0,0,0|1,0,1]=4 767 B10R0.1 CCCCSCC(=O)CCC 62a_100000210211_100000747444 [1,0,1,0,0,0|1,0,1]=4 768 B10R0.1 CCCCSCC(=O)CCC 62a_100000747444_100000210210 [1,0,1,0,0,0|1,0,1]=4 769 B10R0.1 CCCOCCC(=O)CCC 1458a_100000211992_100011215938 [1,0,1,0,0,0|1,0,1]=4 770 B10R0.1 CCCOCOC(=O)CCC 34a_100000210258_100000034017 [1,0,1,0,0,0|2,0,0]=4 771 B10R0.1 CCCSCOC(=O)CCC 62a_100000210303_100000034017 [1,0,1,0,0,0|2,0,0]=4 772 B10R0.71 CCCC/C=C/COCCC 34a_200016272032_100000210303 [1,0,1,0,0,0|1,0,1]=4 773 B10R0.71 CCCC/C=C/COCCC 7a_200016272032_100000210303 [1,0,1,0,0,0|1,0,1]=4 774 B10R0.71 CCCC/C=C\CCOCC 34a_200016286491_100000210202 [1,0,1,0,0,0|1,0,1]=4 775 B10R0.71 CCCC/C=C\CCOCC 7a_200016286491_100000210202 [1,0,1,0,0,0|1,0,1]=4 776 B10R0.71 CCCCC/C=C/COCC 34a_100016258190_100000210202 [1,0,1,0,0,0|1,0,1]=4 777 B10R0.71 CCCCC/C=C/COCC 7a_100016258190_100000210202 [1,0,1,0,0,0|1,0,1]=4 778 B10R0.71 CCCCC/C=C\CCOC 34a_100016277358_200000210301 [1,0,1,0,0,0|1,0,0]=3 779 B10R0.71 CCCCC/C=C\CCOC 7a_100016277358_200000210301 [1,0,1,0,0,0|1,0,0]=3 780 B10R0.71 CCCCC/C=C\CCO[13CH3] 34a_100016277358_200025704644 [1,0,1,0,0,0|1,0,0]=3 781 B10R0.71 CCCCC/C=C\CCO[13CH3] 7a_100016277358_200025704644 [1,0,1,0,0,0|1,0,0]=3 782 B10R0.71 CCCCCNCCCC=O 2230a_100000209983_200011292268 [1,0,1,0,0,0|1,0,1]=4 783 B10R0.71 CCCCCOCCCC=O 7a_100000210253_200011292268 [1,0,1,0,0,0|1,0,1]=4 784 B10R0.71 CCCCCSCCCC=O 62a_100000210326_200011292268 [1,0,1,0,0,0|1,0,1]=4 785 B10R0.71 CCCCCSCCCC=O 62a_200011292268_100000210326 [1,0,1,0,0,0|1,0,1]=4 786 B10R0.91 C#CCCC(=O)CCCCC 1458a_100000212188_100000753159 [1,0,1,0,0,0|0,0,2]=4 787 B10R0.91 C#CCCC(=O)CCCCC 1458a_100000692101_100000210326 [1,0,1,0,0,0|0,0,2]=4 788 B10R0.91 C/C=C/CC(=O)C=CCCC 1458a_100000212230_100102629194 [1,0,1,0,0,0|0,0,2]=4 789 B10R0.91 C/C=C/CC(=O)CCCCC 1458a_100000212188_100102629194 [1,0,1,0,0,0|0,0,1]=3 790 B10R0.91 C/C=C/CC(=O)CCCCO 1458a_100000695505_100102629194 [1,0,1,0,0,0|1,0,1]=4 791 B10R0.91 C/C=C/CC(=O)CCCOC 1458a_100000741012_100102629194 [1,0,1,0,0,0|1,0,1]=4 792 B10R0.91 C/C=C/CC(=O)CCCSC 1458a_100000173376_100102629194 [1,0,1,0,0,0|1,0,1]=4 793 B10R0.91 C/C=C/CC(=O)CCOCC 1458a_100000749530_100102629194 [1,0,1,0,0,0|1,0,1]=4 794 B10R0.91 C/C=C/CC(=O)CCSCC 1458a_100000230768_100102629194 [1,0,1,0,0,0|1,0,1]=4 795 B10R0.91 C/C=C/CC(=O)COCCC 1458a_100000745993_100102629194 [1,0,1,0,0,0|1,0,1]=4 796 B10R0.91 C/C=C/CC(=O)CSCCC 1458a_100000217233_100102629194 [1,0,1,0,0,0|1,0,1]=4 797 B10R0.91 C=CCCC(=O)C=CCCC 1458a_100000212230_100000754431 [1,0,1,0,0,0|0,0,2]=4 798 B10R0.91 C=CCCC(=O)CCCCC 1458a_100000212188_100000754431 [1,0,1,0,0,0|0,0,1]=3 799 B10R0.91 C=CCCC(=O)CCCCC 1458a_100000749702_100000210326 [1,0,1,0,0,0|0,0,1]=3 800 B10R0.91 C=CCCC(=O)CCCCF 1458a_100000749702_100000729493 [1,0,1,0,0,0|1,0,1]=4 801 B10R0.91 C=CCCC(=O)CCCCO 1458a_100000695505_100000754431 [1,0,1,0,0,0|1,0,1]=4 802 B10R0.91 C=CCCC(=O)CCCCO 1458a_100000749702_100000210776 [1,0,1,0,0,0|1,0,1]=4 803 B10R0.91 C=CCCC(=O)CCCOC 1458a_100000741012_100000754431 [1,0,1,0,0,0|1,0,1]=4 804 B10R0.91 C=CCCC(=O)CCCOC 1458a_100000749702_100000740836 [1,0,1,0,0,0|1,0,1]=4 805 B10R0.91 C=CCCC(=O)CCCSC 1458a_100000173376_100000754431 [1,0,1,0,0,0|1,0,1]=4 806 B10R0.91 C=CCCC(=O)CCOCC 1458a_100000749530_100000754431 [1,0,1,0,0,0|1,0,1]=4 807 B10R0.91 C=CCCC(=O)CCOCC 1458a_100000749702_100011215890 [1,0,1,0,0,0|1,0,1]=4 808 B10R0.91 C=CCCC(=O)CCSCC 1458a_100000230768_100000754431 [1,0,1,0,0,0|1,0,1]=4 809 B10R0.91 C=CCCC(=O)CCSCC 1458a_100000749702_100000757381 [1,0,1,0,0,0|1,0,1]=4 810 B10R0.91 C=CCCC(=O)COCCC 1458a_100000745993_100000754431 [1,0,1,0,0,0|1,0,1]=4 811 B10R0.91 C=CCCC(=O)CSCCC 1458a_100000217233_100000754431 [1,0,1,0,0,0|1,0,1]=4 812 B10R0.91 C=CCCC(=O)NCCCC 11a_100000102301_100000749702 [1,0,1,0,0,0|1,0,1]=4 813 B10R0.91 C=CCCC(=O)NCCCC 1626a_100000102301_100000749702 [1,0,1,0,0,0|1,0,1]=4 814 B10R0.91 C=CCCC(=O)NCCCC 240690a_100000102301_100000749702 [1,0,1,0,0,0|1,0,1]=4 815 B10R0.91 C=CCCC(=O)NCCCC 527a_100000102301_100000749702 [1,0,1,0,0,0|1,0,1]=4 816 B10R0.91 C=CCCN(C)CCCCC 2230a_100000223495_100000754431 [1,0,1,0,0,0|2,0,0]=4 817 B10R0.91 C=CCCN(C)CCCCC 2230a_100020639649_100000210326 [1,0,1,0,0,0|2,0,0]=4 818 B10R0.91 C=CCCN(C)CCCCC 269982a_100000223495_100000754431 [1,0,1,0,0,0|2,0,0]=4 819 B10R0.91 C=CCCN(C)CCCCC 269982a_100020639649_100000210215 [1,0,1,0,0,0|2,0,0]=4 820 B10R0.91 C=CCNC(=O)CCCCC 1626a_100020586998_100000212188 [1,0,1,0,0,0|1,0,1]=4 821 B10R0.91 C=CCNC(=O)CCCCC 240690a_100020586998_100000212188 [1,0,1,0,0,0|1,0,1]=4 822 B10R0.91 C=CCNC(=O)CCCCC 527a_100020586998_100000212188 [1,0,1,0,0,0|1,0,1]=4 823 B10R0.91 CC#CCC(=O)CCCCC 1458a_100000212188_100000748600 [1,0,1,0,0,0|0,0,2]=4 824 B10R0.91 CC=CCC(=O)C=CCCC 1458a_100000212230_100000070051 [1,0,1,0,0,0|0,0,2]=4 825 B10R0.91 CC=CCC(=O)CCCCC 1458a_100000212188_100000070051 [1,0,1,0,0,0|0,0,1]=3 826 B10R0.91 CC=CCC(=O)CCCCC 1458a_100121576822_100000210326 [1,0,1,0,0,0|0,0,1]=3 827 B10R0.91 CC=CCC(=O)CCCCF 1458a_100121576822_100000729493 [1,0,1,0,0,0|1,0,1]=4 828 B10R0.91 CC=CCC(=O)CCCCO 1458a_100000695505_100000070051 [1,0,1,0,0,0|1,0,1]=4 829 B10R0.91 CC=CCC(=O)CCCCO 1458a_100121576822_100000210776 [1,0,1,0,0,0|1,0,1]=4 830 B10R0.91 CC=CCC(=O)CCCOC 1458a_100000741012_100000070051 [1,0,1,0,0,0|1,0,1]=4 831 B10R0.91 CC=CCC(=O)CCCOC 1458a_100121576822_100000740836 [1,0,1,0,0,0|1,0,1]=4 832 B10R0.91 CC=CCC(=O)CCCSC 1458a_100000173376_100000070051 [1,0,1,0,0,0|1,0,1]=4 833 B10R0.91 CC=CCC(=O)CCOCC 1458a_100000749530_100000070051 [1,0,1,0,0,0|1,0,1]=4 834 B10R0.91 CC=CCC(=O)CCOCC 1458a_100121576822_100011215890 [1,0,1,0,0,0|1,0,1]=4 835 B10R0.91 CC=CCC(=O)CCSCC 1458a_100000230768_100000070051 [1,0,1,0,0,0|1,0,1]=4 836 B10R0.91 CC=CCC(=O)CCSCC 1458a_100121576822_100000757381 [1,0,1,0,0,0|1,0,1]=4 837 B10R0.91 CC=CCC(=O)COCCC 1458a_100000745993_100000070051 [1,0,1,0,0,0|1,0,1]=4 838 B10R0.91 CC=CCC(=O)CSCCC 1458a_100000217233_100000070051 [1,0,1,0,0,0|1,0,1]=4 839 B10R0.91 CC=CCC(=O)NCCCC 11a_100000102301_100121576822 [1,0,1,0,0,0|1,0,1]=4 840 B10R0.91 CC=CCC(=O)NCCCC 1626a_100000102301_100121576822 [1,0,1,0,0,0|1,0,1]=4 841 B10R0.91 CC=CCC(=O)NCCCC 240690a_100000102301_100121576822 [1,0,1,0,0,0|1,0,1]=4 842 B10R0.91 CC=CCC(=O)NCCCC 527a_100000102301_100121576822 [1,0,1,0,0,0|1,0,1]=4 843 B10R0.91 CC=NNC(=O)CCCCC 4a_100000189784_200000210099 [1,0,1,0,0,0|2,0,0]=4 844 B10R0.91 CCCC=CC(=O)CCCC 1458a_100000212230_100000210211 [1,0,1,0,0,0|0,0,2]=4 845 B10R0.91 CCCC=CC(=O)CCOC 1458a_100000212230_100000233755 [1,0,1,0,0,0|1,0,1]=4 846 B10R0.91 CCCC=CC(=O)CCSC 1458a_100000212230_100000751147 [1,0,1,0,0,0|1,0,1]=4 847 B10R0.91 CCCCC(=O)CCCCF 1458a_100000210183_100000729493 [1,0,1,0,0,0|1,0,1]=4 848 B10R0.91 CCCCC(=O)CCCCO 1458a_100000210183_100000210776 [1,0,1,0,0,0|1,0,1]=4 849 B10R0.91 CCCCC(=O)CCCCO 1458a_100000695505_100000210211 [1,0,1,0,0,0|1,0,1]=4 850 B10R0.91 CCCCC(=O)CCCOC 1458a_100000210183_100000740836 [1,0,1,0,0,0|1,0,1]=4 851 B10R0.91 CCCCC(=O)CCCOC 1458a_100000741012_100000210211 [1,0,1,0,0,0|1,0,1]=4 852 B10R0.91 CCCCC(=O)CCCSC 1458a_100000173376_100000210211 [1,0,1,0,0,0|1,0,1]=4 853 B10R0.91 CCCCC(=O)CCOCC 1458a_100000210183_100011215890 [1,0,1,0,0,0|1,0,1]=4 854 B10R0.91 CCCCC(=O)CCOCC 1458a_100000749530_100000210211 [1,0,1,0,0,0|1,0,1]=4 855 B10R0.91 CCCCC(=O)CCSCC 1458a_100000210183_100000757381 [1,0,1,0,0,0|1,0,1]=4 856 B10R0.91 CCCCC(=O)CCSCC 1458a_100000230768_100000210211 [1,0,1,0,0,0|1,0,1]=4 857 B10R0.91 CCCCC(=O)COCCC 1458a_100000745993_100000210211 [1,0,1,0,0,0|1,0,1]=4 858 B10R0.91 CCCCC(=O)CSCCC 1458a_100000217233_100000210211 [1,0,1,0,0,0|1,0,1]=4 859 B10R0.91 CCCCCC(=O)CCC#N 1458a_100000212188_100011215226 [1,0,1,0,0,0|1,0,1]=4 860 B10R0.91 CCCCCC(=O)CCC#N 1458a_100011934036_100000210326 [1,0,1,0,0,0|1,0,1]=4 861 B10R0.91 CCCCCC(=O)CCCC 1458a_100000210183_100000210326 [1,0,1,0,0,0|0,0,1]=3 862 B10R0.91 CCCCCC(=O)CCCC 1458a_100000212188_100000210211 [1,0,1,0,0,0|0,0,1]=3 863 B10R0.91 CCCCCC(=O)CCCF 1458a_100000212188_100011934791 [1,0,1,0,0,0|1,0,1]=4 864 B10R0.91 CCCCCC(=O)CCCO 1458a_100000212188_100011215043 [1,0,1,0,0,0|1,0,1]=4 865 B10R0.91 CCCCCC(=O)CCOC 1458a_100000212188_100000233755 [1,0,1,0,0,0|1,0,0]=3 866 B10R0.91 CCCCCC(=O)CCOC 1458a_100000749529_100000210326 [1,0,1,0,0,0|1,0,0]=3 867 B10R0.91 CCCCCC(=O)CCSC 1458a_100000174002_100000210326 [1,0,1,0,0,0|1,0,0]=3 868 B10R0.91 CCCCCC(=O)CCSC 1458a_100000212188_100000751147 [1,0,1,0,0,0|1,0,0]=3 869 B10R0.91 CCCCCC(=O)CNCC 2230a_100015525214_200012276598 [1,0,1,0,0,0|1,0,1]=4 870 B10R0.91 CCCCCC(=O)COCC 1458a_100000211967_100000210326 [1,0,1,0,0,0|1,0,1]=4 871 B10R0.91 CCCCCC(=O)COCC 34a_100121572206_200012276598 [1,0,1,0,0,0|1,0,1]=4 872 B10R0.91 CCCCCC(=O)CSCC 1458a_100000230394_100000210326 [1,0,1,0,0,0|1,0,1]=4 873 B10R0.91 CCCCCC(=O)CSCC 62a_100000210202_200012276598 [1,0,1,0,0,0|1,0,1]=4 874 B10R0.91 CCCCCC(=O)CSCC 62a_200012276598_100000210202 [1,0,1,0,0,0|1,0,1]=4 875 B10R0.91 CCCCCC(=O)NCCC 11a_100020643023_100000212188 [1,0,1,0,0,0|1,0,1]=4 876 B10R0.91 CCCCCC(=O)NCCC 1626a_100020643023_100000212188 [1,0,1,0,0,0|1,0,1]=4 877 B10R0.91 CCCCCC(=O)NCCC 240690a_100020643023_100000212188 [1,0,1,0,0,0|1,0,1]=4 878 B10R0.91 CCCCCC(=O)NCCC 527a_100020643023_100000212188 [1,0,1,0,0,0|1,0,1]=4 879 B10R0.91 CCCCCC(C)NCC=O 2230a_100000211957_200015260668 [1,0,1,0,0,0|1,0,1]=4 880 B10R0.91 CCCCCC(C)OCC=O 34a_100011215632_200009817547 [1,0,1,0,0,0|1,0,1]=4 881 B10R0.91 CCCCCC(C)OCC=O 7a_100011215632_200015260668 [1,0,1,0,0,0|1,0,1]=4 882 B10R0.91 CCCCCC(C)SCC=O 62a_200011218191_200015260668 [1,0,1,0,0,0|1,0,1]=4 883 B10R0.91 CCCCCC(C)SCC=O 62a_200015260668_200011218191 [1,0,1,0,0,0|1,0,1]=4 884 B10R0.91 CCCCNC(=O)CCCC 11a_100000102301_100000210183 [1,0,1,0,0,0|1,0,1]=4 885 B10R0.91 CCCCNC(=O)CCCC 1626a_100000102301_100000210183 [1,0,1,0,0,0|1,0,1]=4 886 B10R0.91 CCCCNC(=O)CCCC 240690a_100000102301_100000210183 [1,0,1,0,0,0|1,0,1]=4 887 B10R0.91 CCCCNC(=O)CCCC 527a_100000102301_100000210183 [1,0,1,0,0,0|1,0,1]=4 888 B10R0.91 CCCCNC(=O)CCOC 11a_100000102301_100000749529 [1,0,1,0,0,0|2,0,0]=4 889 B10R0.91 CCCCNC(=O)CCOC 1626a_100000102301_100000749529 [1,0,1,0,0,0|2,0,0]=4 890 B10R0.91 CCCCNC(=O)CCOC 240690a_100000102301_100000749529 [1,0,1,0,0,0|2,0,0]=4 891 B10R0.91 CCCCNC(=O)CCOC 527a_100000102301_100000749529 [1,0,1,0,0,0|2,0,0]=4 892 B10R0.91 CCCCNC(=O)CCSC 11a_100000102301_100000174002 [1,0,1,0,0,0|2,0,0]=4 893 B10R0.91 CCCCNC(=O)CCSC 1626a_100000102301_100000174002 [1,0,1,0,0,0|2,0,0]=4 894 B10R0.91 CCCCNC(=O)CCSC 240690a_100000102301_100000174002 [1,0,1,0,0,0|2,0,0]=4 895 B10R0.91 CCCCNC(=O)CCSC 527a_100000102301_100000174002 [1,0,1,0,0,0|2,0,0]=4 896 B10R0.91 CCCOCC(=O)CCOC 1458a_100000745993_100000233755 [1,0,1,0,0,0|2,0,0]=4 897 B10R0.91 CCCOCC(=O)CCSC 1458a_100000745993_100000751147 [1,0,1,0,0,0|2,0,0]=4 898 B10R0.91 CCCSCC(=O)CCOC 1458a_100000217233_100000233755 [1,0,1,0,0,0|2,0,0]=4 899 B10R0.91 CCCSCC(=O)CCSC 1458a_100000217233_100000751147 [1,0,1,0,0,0|2,0,0]=4 900 B10R0.91 CCOCCC(=O)CCOC 1458a_100000749529_100011215890 [1,0,1,0,0,0|2,0,0]=4 901 B10R0.91 CCOCCC(=O)CCOC 1458a_100000749530_100000233755 [1,0,1,0,0,0|2,0,0]=4 902 B10R0.91 CCOCCC(=O)CCSC 1458a_100000174002_100011215890 [1,0,1,0,0,0|2,0,0]=4 903 B10R0.91 CCOCCC(=O)CCSC 1458a_100000749530_100000751147 [1,0,1,0,0,0|2,0,0]=4 904 B10R0.91 CCSCCC(=O)CCOC 1458a_100000230768_100000233755 [1,0,1,0,0,0|2,0,0]=4 905 B10R0.91 CCSCCC(=O)CCOC 1458a_100000749529_100000757381 [1,0,1,0,0,0|2,0,0]=4 906 B10R0.91 CCSCCC(=O)CCSC 1458a_100000174002_100000757381 [1,0,1,0,0,0|2,0,0]=4 907 B10R0.91 CCSCCC(=O)CCSC 1458a_100000230768_100000751147 [1,0,1,0,0,0|2,0,0]=4 908 B10R0.91 COCCC(=O)CCCCF 1458a_100000749529_100000729493 [1,0,1,0,0,0|2,0,0]=4 909 B10R0.91 COCCC(=O)CCCCO 1458a_100000695505_100000233755 [1,0,1,0,0,0|2,0,0]=4 910 B10R0.91 COCCC(=O)CCCCO 1458a_100000749529_100000210776 [1,0,1,0,0,0|2,0,0]=4 911 B10R0.91 COCCC(=O)CCCSC 1458a_100000173376_100000233755 [1,0,1,0,0,0|2,0,0]=4 912 B10R0.91 COCCCC(=O)CCOC 1458a_100000741012_100000233755 [1,0,1,0,0,0|2,0,0]=4 913 B10R0.91 COCCCC(=O)CCOC 1458a_100000749529_100000740836 [1,0,1,0,0,0|2,0,0]=4 914 B10R0.91 COCCCC(=O)CCSC 1458a_100000174002_100000740836 [1,0,1,0,0,0|2,0,0]=4 915 B10R0.91 COCCCC(=O)CCSC 1458a_100000741012_100000751147 [1,0,1,0,0,0|2,0,0]=4 916 B10R0.91 CSCCC(=O)CCCCF 1458a_100000174002_100000729493 [1,0,1,0,0,0|2,0,0]=4 917 B10R0.91 CSCCC(=O)CCCCO 1458a_100000174002_100000210776 [1,0,1,0,0,0|2,0,0]=4 918 B10R0.91 CSCCC(=O)CCCCO 1458a_100000695505_100000751147 [1,0,1,0,0,0|2,0,0]=4 919 B10R0.91 CSCCCC(=O)CCSC 1458a_100000173376_100000751147 [1,0,1,0,0,0|2,0,0]=4 920 B10R0.17 CCCCN(C(=O)C)C(C)C 11a_100000207398_100015343762 [1,0,1,0,0,0|1,0,1]=4 921 B10R0.17 CCCCN(C(=O)C)C(C)C 1626a_100000207398_100015343762 [1,0,1,0,0,0|1,0,1]=4 922 B10R0.17 CCCCN(C(=O)C)C(C)C 240690a_100000207398_100015343762 [1,0,1,0,0,0|1,0,1]=4 923 B10R0.17 CCCCN(C(=O)C)C(C)C 527a_100000207398_100103153847 [1,0,1,0,0,0|1,0,1]=4 924 B10R1.29 CCCCc1c[nH]nc1C 271570a_100020621405_100011912673 [2,0,0,0,0,0|2,0,0]=4 925 B10R1.29 CCCCc1ccsc1C 271570a_100020621405_100000684487 [2,0,0,0,0,0|1,0,1]=4 926 B10R1.29 CCCCc1cnoc1C 271570a_100020621405_100009872056 [2,0,0,0,0,0|2,0,0]=4 927 B10R1.29 CCCCc1cscc1C 271570a_100020621405_100000759966 [2,0,0,0,0,0|1,0,1]=4 928 B10R1.29 CCOCC1=CCCC1=O 34a_100000087531_100000210202 [2,0,0,0,0,0|1,0,0]=3 929 B10R1.29 O=C1CCC=C1COCF 34a_100000087531_100015361967 [2,0,0,0,0,0|2,0,0]=4 930 B12R0.122 CCCCCC(CC)C(=O)C(C)C 1458a_100000697129_100000210206 [0,1,1,0,0,0|0,0,2]=4 931 B12R0.127 CCCCCN(C(=O)CC)C(C)C 11a_100000223497_100000210414 [0,1,1,0,0,0|1,0,1]=4 932 B12R0.127 CCCCCN(C(=O)CC)C(C)C 1626a_100000223497_100000210414 [0,1,1,0,0,0|1,0,1]=4 933 B12R0.127 CCCCCN(C(=O)CC)C(C)C 240690a_100000223497_100000210414 [0,1,1,0,0,0|1,0,1]=4 934 B12R0.127 CCCCCN(C(=O)CC)C(C)C 527a_100000223497_100000210414 [0,1,1,0,0,0|1,0,1]=4 935 B12R0.200 CCCCCOC(CC)C(=O)CC 34a_200011218131_100000718602 [0,1,1,0,0,0|0,0,2]=4 936 B12R0.200 CCCCCOC(CC)C(=O)CC 7a_200011218131_100000210326 [0,1,1,0,0,0|0,0,2]=4 937 B12R0.246 CCCCCC(CCC)C(=O)CC 1458a_200011416452_100000210202 [0,1,1,0,0,0|0,0,2]=4 938 B12R0.246 CCCCCN(CCC)C(=O)CC 11a_200000226819_100000210414 [0,1,1,0,0,0|1,0,1]=4 939 B12R0.246 CCCCCN(CCC)C(=O)CC 1626a_200000226819_100000210414 [0,1,1,0,0,0|1,0,1]=4 940 B12R0.246 CCCCCN(CCC)C(=O)CC 240690a_200000226819_100000210414 [0,1,1,0,0,0|1,0,1]=4 941 B12R0.246 CCCCCN(CCC)C(=O)CC 527a_200000226819_100000210414 [0,1,1,0,0,0|1,0,1]=4 942 B12R0.246 CCCCCN(CCO)C(=O)CC 240690a_100000224656_100000210414 [0,1,1,0,0,0|1,0,1]=4 943 B12R0.246 CCCCCN(CCO)C(=O)CC 527a_100000224656_100000210414 [0,1,1,0,0,0|1,0,1]=4 944 B12R0.363 CCCCCC(CC)C(=O)CCC 1458a_100000697129_100000210303 [0,1,1,0,0,0|0,0,2]=4 945 B12R0.363 CCCCCC(CC)C(=O)CCF 1458a_100000697129_100011217306 [0,1,1,0,0,0|0,0,2]=4 946 B12R0.363 CCCCCC(CC)C(=O)CCO 1458a_100000697129_100000211926 [0,1,1,0,0,0|0,0,2]=4 947 B12R0.363 CCCCCC(CC)C(=O)NCC 11a_100015525214_100000697129 [0,1,1,0,0,0|0,0,2]=4 948 B12R0.363 CCCCCC(CC)C(=O)NCC 240690a_100015525214_100000697129 [0,1,1,0,0,0|0,0,2]=4 949 B12R0.363 CCCCCC(CC)C(=O)NCC 527a_100015525214_100000697129 [0,1,1,0,0,0|0,0,2]=4 950 B12R0.363 CCCCCC(NC)C(=O)OCC 2230a_106832991635_200009813352 [0,1,1,0,0,0|1,0,1]=4 951 B12R0.363 CCCCCC(NC)C(=O)OCC 34a_100102657272_200009813352 [0,1,1,0,0,0|1,0,1]=4 952 B12R0.363 CCCCCC(NC)C(=O)OCC 7a_106832991635_200009813352 [0,1,1,0,0,0|1,0,1]=4 953 B12R0.363 CCCCCC(OC)C(=O)OCC 34a_100138415774_200009813352 [0,1,1,0,0,0|1,0,1]=4 954 B12R0.363 CCCCCC(SC)C(=O)OCC 62a_200000210301_200009813352 [0,1,1,0,0,0|1,0,1]=4 955 B12R0.363 CCCCCC(SC)C(=O)OCC 62a_200009813352_200000210301 [0,1,1,0,0,0|1,0,1]=4 956 B12R0.363 CCCCCC(S[13CH3])C(=O)OCC 62a_200009813352_200025704644 [0,1,1,0,0,0|1,0,1]=4 957 B12R0.363 CCCCCC(S[13CH3])C(=O)OCC 62a_200025704644_200009813352 [0,1,1,0,0,0|1,0,1]=4 958 B12R0.47 C=CCCCC(=O)C=CCCCC 1458a_100016266645_100000757094 [0,1,1,0,0,0|0,0,2]=4 959 B12R0.47 C=CCCCC(=O)CCCCCC 1458a_100000766728_100000210757 [0,1,1,0,0,0|0,0,2]=4 960 B12R0.47 C=CCCCC(=O)CCCCCC 1458a_100102632555_100000757094 [0,1,1,0,0,0|0,0,2]=4 961 B12R0.47 C=CCCCC(=O)NCCCCC 11a_100000209983_100000766728 [0,1,1,0,0,0|1,0,1]=4 962 B12R0.47 C=CCCCC(=O)NCCCCC 1626a_100000209983_100000766728 [0,1,1,0,0,0|1,0,1]=4 963 B12R0.47 C=CCCCC(=O)NCCCCC 240690a_100000209983_100000766728 [0,1,1,0,0,0|1,0,1]=4 964 B12R0.47 C=CCCCC(=O)NCCCCC 527a_100000209983_100000766728 [0,1,1,0,0,0|1,0,1]=4 965 B12R0.47 C=CCCNC(=O)C=CCCCC 11a_100015191253_100016266645 [0,1,1,0,0,0|0,0,2]=4 966 B12R0.47 C=CCCNC(=O)C=CCCCC 1626a_100015191253_100016266645 [0,1,1,0,0,0|0,0,2]=4 967 B12R0.47 C=CCCNC(=O)C=CCCCC 240690a_100015191253_100016266645 [0,1,1,0,0,0|0,0,2]=4 968 B12R0.47 C=CCCNC(=O)CCCCCC 11a_100015191253_100102632555 [0,1,1,0,0,0|0,0,2]=4 969 B12R0.47 C=CCCNC(=O)CCCCCC 1626a_100015191253_100102632555 [0,1,1,0,0,0|0,0,2]=4 970 B12R0.47 C=CCCNC(=O)CCCCCC 240690a_100015191253_100102632555 [0,1,1,0,0,0|0,0,2]=4 971 B12R0.47 C=CCCNC(=O)CCCCCC 527a_100015191253_100102632555 [0,1,1,0,0,0|0,0,2]=4 972 B12R0.47 C=CCCNC(=O)NCCCCC 2708a_100000209983_100015191253 [0,1,1,0,0,0|1,0,1]=4 973 B12R0.47 C=CCCNC(=O)NCCCCC 2708a_100015191253_100000209983 [0,1,1,0,0,0|1,0,1]=4 974 B12R0.47 C=CCCNC(=O)NCCCCC 273464a_100000209983_100015191253 [0,1,1,0,0,0|1,0,1]=4 975 B12R0.47 C=CCCNC(=O)NCCCCC 273464a_100015191253_100000209983 [0,1,1,0,0,0|1,0,1]=4 976 B12R0.47 C=CCCNC(=O)NCCCCC 512a_100000209983_100015191253 [0,1,1,0,0,0|1,0,1]=4 977 B12R0.47 C=CCCNC(=O)NCCCCC 512a_100015191253_100000209983 [0,1,1,0,0,0|1,0,1]=4 978 B12R0.47 C=CCNCC(=O)NCCCCC 2230a_100020586998_100000230301 [0,1,1,0,0,0|1,0,1]=4 979 B12R0.47 C=CCOCC(=O)NCCCCC 34a_200000210373_100000230301 [0,1,1,0,0,0|1,0,1]=4 980 B12R0.47 C=CCSCC(=O)CCCCCC 1458a_100000230395_100000210757 [0,1,1,0,0,0|0,0,2]=4 981 B12R0.47 C=CCSCC(=O)NCCCCC 11a_100000209983_100000230395 [0,1,1,0,0,0|1,0,1]=4 982 B12R0.47 C=CCSCC(=O)NCCCCC 1626a_100000209983_100000230395 [0,1,1,0,0,0|1,0,1]=4 983 B12R0.47 C=CCSCC(=O)NCCCCC 240690a_100000209983_100000230395 [0,1,1,0,0,0|1,0,1]=4 984 B12R0.47 C=CCSCC(=O)NCCCCC 527a_100000209983_100000230395 [0,1,1,0,0,0|1,0,1]=4 985 B12R0.47 C=CCSCC(=O)NCCCCC 62a_100000210623_100000230301 [0,1,1,0,0,0|1,0,1]=4 986 B12R0.47 C=CCSCC(=O)NCCCCC 62a_100000230301_100000210623 [0,1,1,0,0,0|1,0,1]=4 987 B12R0.47 C=COCCC(=O)C=CCCCC 1458a_100016266645_100000039644 [0,1,1,0,0,0|0,0,2]=4 988 B12R0.47 C=COCCC(=O)CCCCCC 1458a_100102632555_100000039644 [0,1,1,0,0,0|0,0,2]=4 989 B12R0.47 CC/C=C/CC(=O)CCCCCC 1458a_100016274230_100000210757 [0,1,1,0,0,0|0,0,2]=4 990 B12R0.47 CC/C=C/CC(=O)NCCCCC 11a_100000209983_100016274230 [0,1,1,0,0,0|1,0,1]=4 991 B12R0.47 CC/C=C/CC(=O)NCCCCC 1626a_100000209983_100016274230 [0,1,1,0,0,0|1,0,1]=4 992 B12R0.47 CC/C=C/CC(=O)NCCCCC 240690a_100000209983_100016274230 [0,1,1,0,0,0|1,0,1]=4 993 B12R0.47 CC/C=C/CC(=O)NCCCCC 527a_100000209983_100016274230 [0,1,1,0,0,0|1,0,1]=4 994 B12R0.47 CC/C=C\CC(=O)C=CCCCC 1458a_100016266645_100103147603 [0,1,1,0,0,0|0,0,2]=4 995 B12R0.47 CC/C=C\CC(=O)CCCCCC 1458a_100102632555_100103147603 [0,1,1,0,0,0|0,0,2]=4 996 B12R0.47 CCCCC=CC(=O)CCCCC 1458a_100016266645_100000210326 [0,1,1,0,0,0|0,0,2]=4 997 B12R0.47 CCCCC=CC(=O)CCCCF 1458a_100016266645_100000729493 [0,1,1,0,0,0|0,0,2]=4 998 B12R0.47 CCCCC=CC(=O)CCCCO 1458a_100016266645_100000210776 [0,1,1,0,0,0|0,0,2]=4 999 B12R0.47 CCCCC=CC(=O)CCCOC 1458a_100016266645_100000740836 [0,1,1,0,0,0|0,0,2]=4 1000 B12R0.47 CCCCC=CC(=O)CCOCC 1458a_100016266645_100011215890 [0,1,1,0,0,0|0,0,2]=4 1001 B12R0.47 CCCCC=CC(=O)CCSCC 1458a_100016266645_100000757381 [0,1,1,0,0,0|0,0,2]=4 1002 B12R0.47 CCCCC=CC(=O)NCCCC 11a_100000102301_100016266645 [0,1,1,0,0,0|0,0,2]=4 1003 B12R0.47 CCCCC=CC(=O)NCCCC 1626a_100000102301_100016266645 [0,1,1,0,0,0|0,0,2]=4 1004 B12R0.47 CCCCC=CC(=O)NCCCC 240690a_100000102301_100016266645 [0,1,1,0,0,0|0,0,2]=4 1005 B12R0.47 CCCCC=CC(=O)NCCOC 1626a_100000209980_100016266645 [0,1,1,0,0,0|1,0,1]=4 1006 B12R0.47 CCCCC=CC(=O)NCCOC 240690a_100000209980_100016266645 [0,1,1,0,0,0|1,0,1]=4 1007 B12R0.47 CCCCC=CC(=O)NCCSC 11a_100020590264_100016266645 [0,1,1,0,0,0|1,0,1]=4 1008 B12R0.47 CCCCC=CC(=O)NCCSC 1626a_100020590264_100016266645 [0,1,1,0,0,0|1,0,1]=4 1009 B12R0.47 CCCCC=CC(=O)NCCSC 240690a_100020590264_100016266645 [0,1,1,0,0,0|1,0,1]=4 1010 B12R0.47 CCCCCCC(=O)CCCCC 1458a_100000212188_100000210757 [0,1,1,0,0,0|0,0,2]=4 1011 B12R0.47 CCCCCCC(=O)CCCCC 1458a_100102632555_100000210326 [0,1,1,0,0,0|0,0,2]=4 1012 B12R0.47 CCCCCCC(=O)CCCCF 1458a_100102632555_100000729493 [0,1,1,0,0,0|0,0,2]=4 1013 B12R0.47 CCCCCCC(=O)CCCCO 1458a_100000695505_100000210757 [0,1,1,0,0,0|0,0,2]=4 1014 B12R0.47 CCCCCCC(=O)CCCCO 1458a_100102632555_100000210776 [0,1,1,0,0,0|0,0,2]=4 1015 B12R0.47 CCCCCCC(=O)CCCOC 1458a_100000741012_100000210757 [0,1,1,0,0,0|0,0,2]=4 1016 B12R0.47 CCCCCCC(=O)CCCOC 1458a_100102632555_100000740836 [0,1,1,0,0,0|0,0,2]=4 1017 B12R0.47 CCCCCCC(=O)CCCSC 1458a_100000173376_100000210757 [0,1,1,0,0,0|0,0,2]=4 1018 B12R0.47 CCCCCCC(=O)CCOCC 1458a_100000749530_100000210757 [0,1,1,0,0,0|0,0,2]=4 1019 B12R0.47 CCCCCCC(=O)CCOCC 1458a_100102632555_100011215890 [0,1,1,0,0,0|0,0,2]=4 1020 B12R0.47 CCCCCCC(=O)CCSCC 1458a_100000230768_100000210757 [0,1,1,0,0,0|0,0,2]=4 1021 B12R0.47 CCCCCCC(=O)CCSCC 1458a_100102632555_100000757381 [0,1,1,0,0,0|0,0,2]=4 1022 B12R0.47 CCCCCCC(=O)COCCC 1458a_100000745993_100000210757 [0,1,1,0,0,0|0,0,2]=4 1023 B12R0.47 CCCCCCC(=O)CSCCC 1458a_100000217233_100000210757 [0,1,1,0,0,0|0,0,2]=4 1024 B12R0.47 CCCCCCC(=O)NCCCC 11a_100000102301_100102632555 [0,1,1,0,0,0|0,0,2]=4 1025 B12R0.47 CCCCCCC(=O)NCCCC 1626a_100000102301_100102632555 [0,1,1,0,0,0|0,0,2]=4 1026 B12R0.47 CCCCCCC(=O)NCCCC 240690a_100000102301_100102632555 [0,1,1,0,0,0|0,0,2]=4 1027 B12R0.47 CCCCCCC(=O)NCCCC 527a_100000102301_100102632555 [0,1,1,0,0,0|0,0,2]=4 1028 B12R0.47 CCCCCCC(=O)NCCOC 1626a_100000209980_100102632555 [0,1,1,0,0,0|1,0,1]=4 1029 B12R0.47 CCCCCCC(=O)NCCOC 240690a_100000209980_100102632555 [0,1,1,0,0,0|1,0,1]=4 1030 B12R0.47 CCCCCCC(=O)NCCOC 527a_100000209980_100102632555 [0,1,1,0,0,0|1,0,1]=4 1031 B12R0.47 CCCCCCC(=O)NCCSC 11a_100020590264_100102632555 [0,1,1,0,0,0|1,0,1]=4 1032 B12R0.47 CCCCCCC(=O)NCCSC 1626a_100020590264_100102632555 [0,1,1,0,0,0|1,0,1]=4 1033 B12R0.47 CCCCCCC(=O)NCCSC 240690a_100020590264_100102632555 [0,1,1,0,0,0|1,0,1]=4 1034 B12R0.47 CCCCCCC(=O)NCCSC 527a_100020590264_100102632555 [0,1,1,0,0,0|1,0,1]=4 1035 B12R0.47 CCCCCCN(C)CCCC=O 2230a_106256046315_200011292268 [0,1,1,0,0,0|1,0,1]=4 1036 B12R0.47 CCCCCCN(C)CCCC=O 269982a_106256046315_200011292268 [0,1,1,0,0,0|1,0,1]=4 1037 B12R0.47 CCCCCNC(=O)CCCCC 11a_100000209983_100000212188 [0,1,1,0,0,0|1,0,1]=4 1038 B12R0.47 CCCCCNC(=O)CCCCC 1626a_100000209983_100000212188 [0,1,1,0,0,0|1,0,1]=4 1039 B12R0.47 CCCCCNC(=O)CCCCC 240690a_100000209983_100000212188 [0,1,1,0,0,0|1,0,1]=4 1040 B12R0.47 CCCCCNC(=O)CCCCC 527a_100000209983_100000212188 [0,1,1,0,0,0|1,0,1]=4 1041 B12R0.47 CCCCCNC(=O)CCCCO 1626a_100000209983_100000695505 [0,1,1,0,0,0|1,0,1]=4 1042 B12R0.47 CCCCCNC(=O)CCCOC 11a_100000209983_100000741012 [0,1,1,0,0,0|1,0,1]=4 1043 B12R0.47 CCCCCNC(=O)CCCOC 1626a_100000209983_100000741012 [0,1,1,0,0,0|1,0,1]=4 1044 B12R0.47 CCCCCNC(=O)CCCOC 240690a_100000209983_100000741012 [0,1,1,0,0,0|1,0,1]=4 1045 B12R0.47 CCCCCNC(=O)CCCOC 527a_100000209983_100000741012 [0,1,1,0,0,0|1,0,1]=4 1046 B12R0.47 CCCCCNC(=O)CCCSC 11a_100000209983_100000173376 [0,1,1,0,0,0|1,0,1]=4 1047 B12R0.47 CCCCCNC(=O)CCCSC 1626a_100000209983_100000173376 [0,1,1,0,0,0|1,0,1]=4 1048 B12R0.47 CCCCCNC(=O)CCCSC 240690a_100000209983_100000173376 [0,1,1,0,0,0|1,0,1]=4 1049 B12R0.47 CCCCCNC(=O)CCCSC 527a_100000209983_100000173376 [0,1,1,0,0,0|1,0,1]=4 1050 B12R0.47 CCCCCNC(=O)CCOCC 11a_100000209983_100000749530 [0,1,1,0,0,0|1,0,1]=4 1051 B12R0.47 CCCCCNC(=O)CCOCC 1626a_100000209983_100000749530 [0,1,1,0,0,0|1,0,1]=4 1052 B12R0.47 CCCCCNC(=O)CCOCC 240690a_100000209983_100000749530 [0,1,1,0,0,0|1,0,1]=4 1053 B12R0.47 CCCCCNC(=O)CCOCC 527a_100000209983_100000749530 [0,1,1,0,0,0|1,0,1]=4 1054 B12R0.47 CCCCCNC(=O)CCSCC 11a_100000209983_100000230768 [0,1,1,0,0,0|1,0,1]=4 1055 B12R0.47 CCCCCNC(=O)CCSCC 1626a_100000209983_100000230768 [0,1,1,0,0,0|1,0,1]=4 1056 B12R0.47 CCCCCNC(=O)CCSCC 240690a_100000209983_100000230768 [0,1,1,0,0,0|1,0,1]=4 1057 B12R0.47 CCCCCNC(=O)CCSCC 527a_100000209983_100000230768 [0,1,1,0,0,0|1,0,1]=4 1058 B12R0.47 CCCCCNC(=O)COCCC 11a_100000209983_100000745993 [0,1,1,0,0,0|1,0,1]=4 1059 B12R0.47 CCCCCNC(=O)COCCC 1626a_100000209983_100000745993 [0,1,1,0,0,0|1,0,1]=4 1060 B12R0.47 CCCCCNC(=O)COCCC 240690a_100000209983_100000745993 [0,1,1,0,0,0|1,0,1]=4 1061 B12R0.47 CCCCCNC(=O)COCCC 34a_100000210258_100000230301 [0,1,1,0,0,0|1,0,1]=4 1062 B12R0.47 CCCCCNC(=O)COCCC 527a_100000209983_100000745993 [0,1,1,0,0,0|1,0,1]=4 1063 B12R0.47 CCCCCNC(=O)CSCC=O 62a_100000230301_200015260668 [0,1,1,0,0,0|2,0,0]=4 1064 B12R0.47 CCCCCNC(=O)CSCC=O 62a_200015260668_100000230301 [0,1,1,0,0,0|2,0,0]=4 1065 B12R0.47 CCCCCNC(=O)CSCCC 11a_100000209983_100000217233 [0,1,1,0,0,0|1,0,1]=4 1066 B12R0.47 CCCCCNC(=O)CSCCC 1626a_100000209983_100000217233 [0,1,1,0,0,0|1,0,1]=4 1067 B12R0.47 CCCCCNC(=O)CSCCC 240690a_100000209983_100000217233 [0,1,1,0,0,0|1,0,1]=4 1068 B12R0.47 CCCCCNC(=O)CSCCC 527a_100000209983_100000217233 [0,1,1,0,0,0|1,0,1]=4 1069 B12R0.47 CCCCCNC(=O)CSCCC 62a_100000210303_100000230301 [0,1,1,0,0,0|1,0,1]=4 1070 B12R0.47 CCCCCNC(=O)CSCCC 62a_100000230301_100000210303 [0,1,1,0,0,0|1,0,1]=4 1071 B12R0.47 CCCCCNC(=O)CSCOC 62a_100000230301_100000766300 [0,1,1,0,0,0|2,0,0]=4 1072 B12R0.47 CCCCCNC(=O)CSCOC 62a_100000766300_100000230301 [0,1,1,0,0,0|2,0,0]=4 1073 B12R0.47 CCCCCNC(=O)CSCSC 62a_100000230301_100011218213 [0,1,1,0,0,0|2,0,0]=4 1074 B12R0.47 CCCCCNC(=O)CSCSC 62a_100011218213_100000230301 [0,1,1,0,0,0|2,0,0]=4 1075 B12R0.47 CCCCCNC(=O)NCCCC 2708a_100000102301_100000209983 [0,1,1,0,0,0|1,0,1]=4 1076 B12R0.47 CCCCCNC(=O)NCCCC 2708a_100000209983_100000102301 [0,1,1,0,0,0|1,0,1]=4 1077 B12R0.47 CCCCCNC(=O)NCCCC 273464a_100000102301_100000209983 [0,1,1,0,0,0|1,0,1]=4 1078 B12R0.47 CCCCCNC(=O)NCCCC 273464a_100000209983_100000102301 [0,1,1,0,0,0|1,0,1]=4 1079 B12R0.47 CCCCCNC(=O)NCCCC 512a_100000102301_100000209983 [0,1,1,0,0,0|1,0,1]=4 1080 B12R0.47 CCCCCNC(=O)NCCCC 512a_100000209983_100000102301 [0,1,1,0,0,0|1,0,1]=4 1081 B12R0.47 CCCCCNC(=O)NCCOC 2708a_100000209983_100000209980 [0,1,1,0,0,0|2,0,0]=4 1082 B12R0.47 CCCCCNC(=O)NCCOC 273464a_100000209980_100000209983 [0,1,1,0,0,0|2,0,0]=4 1083 B12R0.47 CCCCCNC(=O)NCCOC 273464a_100000209983_100000209980 [0,1,1,0,0,0|2,0,0]=4 1084 B12R0.47 CCCCCNC(=O)NCCSC 2708a_100000209983_100020590264 [0,1,1,0,0,0|2,0,0]=4 1085 B12R0.47 CCCCCNC(=O)NCCSC 2708a_100020590264_100000209983 [0,1,1,0,0,0|2,0,0]=4 1086 B12R0.47 CCCCCNC(=O)NCCSC 273464a_100000209983_100020590264 [0,1,1,0,0,0|2,0,0]=4 1087 B12R0.47 CCCCCNC(=O)NCCSC 273464a_100020590264_100000209983 [0,1,1,0,0,0|2,0,0]=4 1088 B12R0.47 CCCCCNC(=O)NCCSC 512a_100000209983_100020590264 [0,1,1,0,0,0|2,0,0]=4 1089 B12R0.47 CCCCCNC(=O)NCCSC 512a_100020590264_100000209983 [0,1,1,0,0,0|2,0,0]=4 1090 B12R0.95 C/C=C/CC(=O)CCCCC(C)C 1458a_100011933920_100102629194 [0,1,1,0,0,0|0,0,2]=4 1091 B12R0.95 C=CCCC(=O)CCCCC(C)C 1458a_100000749702_100011216152 [0,1,1,0,0,0|0,0,2]=4 1092 B12R0.95 C=CCCC(=O)CCCCC(C)C 1458a_100011933920_100000754431 [0,1,1,0,0,0|0,0,2]=4 1093 B12R0.95 C=CCCC(=O)NCCCC(C)C 11a_200000737386_100000749702 [0,1,1,0,0,0|1,0,1]=4 1094 B12R0.95 C=CCCC(=O)NCCCC(C)C 1626a_200000737386_100000749702 [0,1,1,0,0,0|1,0,1]=4 1095 B12R0.95 C=CCCC(=O)NCCCC(C)C 240690a_200000737386_100000749702 [0,1,1,0,0,0|1,0,1]=4 1096 B12R0.95 C=CCCC(=O)NCCCC(C)C 527a_200000737386_100000749702 [0,1,1,0,0,0|1,0,1]=4 1097 B12R0.95 CC=CCC(=O)CCCCC(C)C 1458a_100011933920_100000070051 [0,1,1,0,0,0|0,0,2]=4 1098 B12R0.95 CC=CCC(=O)CCCCC(C)C 1458a_100121576822_100011216152 [0,1,1,0,0,0|0,0,2]=4 1099 B12R0.95 CC=CCC(=O)NCCCC(C)C 11a_200000737386_100121576822 [0,1,1,0,0,0|1,0,1]=4 1100 B12R0.95 CC=CCC(=O)NCCCC(C)C 1626a_200000737386_100121576822 [0,1,1,0,0,0|1,0,1]=4 1101 B12R0.95 CC=CCC(=O)NCCCC(C)C 240690a_200000737386_100121576822 [0,1,1,0,0,0|1,0,1]=4 1102 B12R0.95 CC=CCC(=O)NCCCC(C)C 527a_200000737386_100121576822 [0,1,1,0,0,0|1,0,1]=4 1103 B12R0.95 CCCCC(=O)CCCCC(C)C 1458a_100000210183_100011216152 [0,1,1,0,0,0|0,0,2]=4 1104 B12R0.95 CCCCC(=O)CCCCC(C)C 1458a_100011933920_100000210211 [0,1,1,0,0,0|0,0,2]=4 1105 B12R0.95 CCCCC(=O)NCCCC(C)C 11a_200000737386_100000210183 [0,1,1,0,0,0|1,0,1]=4 1106 B12R0.95 CCCCC(=O)NCCCC(C)C 1626a_200000737386_100000210183 [0,1,1,0,0,0|1,0,1]=4 1107 B12R0.95 CCCCC(=O)NCCCC(C)C 240690a_200000737386_100000210183 [0,1,1,0,0,0|1,0,1]=4 1108 B12R0.95 CCCCC(=O)NCCCC(C)C 527a_200000737386_100000210183 [0,1,1,0,0,0|1,0,1]=4 1109 B12R0.95 COCCC(=O)CCCCC(C)C 1458a_100000749529_100011216152 [0,1,1,0,0,0|1,0,1]=4 1110 B12R0.95 COCCC(=O)CCCCC(C)C 1458a_100011933920_100000233755 [0,1,1,0,0,0|1,0,1]=4 1111 B12R0.95 COCCC(=O)NCCCC(C)C 11a_200000737386_100000749529 [0,1,1,0,0,0|2,0,0]=4 1112 B12R0.95 COCCC(=O)NCCCC(C)C 1626a_200000737386_100000749529 [0,1,1,0,0,0|2,0,0]=4 1113 B12R0.95 COCCC(=O)NCCCC(C)C 240690a_200000737386_100000749529 [0,1,1,0,0,0|2,0,0]=4 1114 B12R0.95 COCCC(=O)NCCCC(C)C 527a_200000737386_100000749529 [0,1,1,0,0,0|2,0,0]=4 1115 B12R0.95 CSCCC(=O)CCCCC(C)C 1458a_100000174002_100011216152 [0,1,1,0,0,0|1,0,1]=4 1116 B12R0.95 CSCCC(=O)CCCCC(C)C 1458a_100011933920_100000751147 [0,1,1,0,0,0|1,0,1]=4 1117 B12R0.95 CSCCC(=O)NCCCC(C)C 11a_200000737386_100000174002 [0,1,1,0,0,0|2,0,0]=4 1118 B12R0.95 CSCCC(=O)NCCCC(C)C 1626a_200000737386_100000174002 [0,1,1,0,0,0|2,0,0]=4 1119 B12R0.95 CSCCC(=O)NCCCC(C)C 240690a_200000737386_100000174002 [0,1,1,0,0,0|2,0,0]=4 1120 B12R0.95 CSCCC(=O)NCCCC(C)C 527a_200000737386_100000174002 [0,1,1,0,0,0|2,0,0]=4 1121 B12R0.102 C=CCCC(=O)NCCC(C)CC 11a_100020591266_100000749702 [0,1,1,0,0,0|1,0,1]=4 1122 B12R0.102 C=CCCC(=O)NCCC(C)CC 1626a_100020591266_100000749702 [0,1,1,0,0,0|1,0,1]=4 1123 B12R0.102 C=CCCC(=O)NCCC(C)CC 240690a_100020591266_100000749702 [0,1,1,0,0,0|1,0,1]=4 1124 B12R0.102 C=CCCC(=O)NCCC(C)CC 527a_100020591266_100000749702 [0,1,1,0,0,0|1,0,1]=4 1125 B12R0.102 CC=CCC(=O)NCCC(C)CC 11a_100020591266_100121576822 [0,1,1,0,0,0|1,0,1]=4 1126 B12R0.102 CC=CCC(=O)NCCC(C)CC 1626a_100020591266_100121576822 [0,1,1,0,0,0|1,0,1]=4 1127 B12R0.102 CC=CCC(=O)NCCC(C)CC 240690a_100020591266_100121576822 [0,1,1,0,0,0|1,0,1]=4 1128 B12R0.102 CC=CCC(=O)NCCC(C)CC 527a_100020591266_100121576822 [0,1,1,0,0,0|1,0,1]=4 1129 B12R0.102 CCC(C)CCNC(=O)CCOC 11a_100020591266_100000749529 [0,1,1,0,0,0|2,0,0]=4 1130 B12R0.102 CCC(C)CCNC(=O)CCOC 1626a_100020591266_100000749529 [0,1,1,0,0,0|2,0,0]=4 1131 B12R0.102 CCC(C)CCNC(=O)CCOC 240690a_100020591266_100000749529 [0,1,1,0,0,0|2,0,0]=4 1132 B12R0.102 CCC(C)CCNC(=O)CCOC 527a_100020591266_100000749529 [0,1,1,0,0,0|2,0,0]=4 1133 B12R0.102 CCC(C)CCNC(=O)CCSC 11a_100020591266_100000174002 [0,1,1,0,0,0|2,0,0]=4 1134 B12R0.102 CCC(C)CCNC(=O)CCSC 1626a_100020591266_100000174002 [0,1,1,0,0,0|2,0,0]=4 1135 B12R0.102 CCC(C)CCNC(=O)CCSC 240690a_100020591266_100000174002 [0,1,1,0,0,0|2,0,0]=4 1136 B12R0.102 CCC(C)CCNC(=O)CCSC 527a_100020591266_100000174002 [0,1,1,0,0,0|2,0,0]=4 1137 B12R0.102 CCCCC(=O)NCCC(C)CC 11a_100020591266_100000210183 [0,1,1,0,0,0|1,0,1]=4 1138 B12R0.102 CCCCC(=O)NCCC(C)CC 1626a_100020591266_100000210183 [0,1,1,0,0,0|1,0,1]=4 1139 B12R0.102 CCCCC(=O)NCCC(C)CC 240690a_100020591266_100000210183 [0,1,1,0,0,0|1,0,1]=4 1140 B12R0.102 CCCCC(=O)NCCC(C)CC 527a_100020591266_100000210183 [0,1,1,0,0,0|1,0,1]=4 1141 B12R0.103 C=CCCC(=O)NC(C)CCCC 11a_100000126638_100000749702 [0,1,1,0,0,0|1,0,1]=4 1142 B12R0.103 C=CCCC(=O)NC(C)CCCC 1626a_100000126638_100000749702 [0,1,1,0,0,0|1,0,1]=4 1143 B12R0.103 C=CCCC(=O)NC(C)CCCC 240690a_100000126638_100000749702 [0,1,1,0,0,0|1,0,1]=4 1144 B12R0.103 C=CCCC(=O)NC(C)CCCC 527a_100000126638_100000749702 [0,1,1,0,0,0|1,0,1]=4 1145 B12R0.103 CC=CCC(=O)NC(C)CCCC 11a_100000126638_100121576822 [0,1,1,0,0,0|1,0,1]=4 1146 B12R0.103 CC=CCC(=O)NC(C)CCCC 1626a_100000126638_100121576822 [0,1,1,0,0,0|1,0,1]=4 1147 B12R0.103 CC=CCC(=O)NC(C)CCCC 240690a_100000126638_100121576822 [0,1,1,0,0,0|1,0,1]=4 1148 B12R0.103 CC=CCC(=O)NC(C)CCCC 527a_100000126638_100121576822 [0,1,1,0,0,0|1,0,1]=4 1149 B12R0.103 CCCCC(=O)NC(C)CCCC 11a_100000126638_100000210183 [0,1,1,0,0,0|1,0,1]=4 1150 B12R0.103 CCCCC(=O)NC(C)CCCC 1626a_100000126638_100000210183 [0,1,1,0,0,0|1,0,1]=4 1151 B12R0.103 CCCCC(=O)NC(C)CCCC 240690a_100000126638_100000210183 [0,1,1,0,0,0|1,0,1]=4 1152 B12R0.103 CCCCC(=O)NC(C)CCCC 527a_100000126638_100000210183 [0,1,1,0,0,0|1,0,1]=4 1153 B12R0.103 CCCCC(C)NC(=O)CCOC 11a_100000126638_100000749529 [0,1,1,0,0,0|2,0,0]=4 1154 B12R0.103 CCCCC(C)NC(=O)CCOC 1626a_100000126638_100000749529 [0,1,1,0,0,0|2,0,0]=4 1155 B12R0.103 CCCCC(C)NC(=O)CCOC 240690a_100000126638_100000749529 [0,1,1,0,0,0|2,0,0]=4 1156 B12R0.103 CCCCC(C)NC(=O)CCOC 527a_100000126638_100000749529 [0,1,1,0,0,0|2,0,0]=4 1157 B12R0.103 CCCCC(C)NC(=O)CCSC 11a_100000126638_100000174002 [0,1,1,0,0,0|2,0,0]=4 1158 B12R0.103 CCCCC(C)NC(=O)CCSC 1626a_100000126638_100000174002 [0,1,1,0,0,0|2,0,0]=4 1159 B12R0.103 CCCCC(C)NC(=O)CCSC 240690a_100000126638_100000174002 [0,1,1,0,0,0|2,0,0]=4 1160 B12R0.103 CCCCC(C)NC(=O)CCSC 527a_100000126638_100000174002 [0,1,1,0,0,0|2,0,0]=4 1161 B12R0.113 C=CC(C)CC(=O)CCCCCC 1458a_100011934298_100000210757 [0,1,1,0,0,0|0,0,2]=4 1162 B12R0.113 C=CC(C)CC(=O)NCCCCC 11a_100000209983_100011934298 [0,1,1,0,0,0|1,0,1]=4 1163 B12R0.113 C=CC(C)CC(=O)NCCCCC 1626a_100000209983_100011934298 [0,1,1,0,0,0|1,0,1]=4 1164 B12R0.113 C=CC(C)CC(=O)NCCCCC 240690a_100000209983_100011934298 [0,1,1,0,0,0|1,0,1]=4 1165 B12R0.113 C=CC(C)CC(=O)NCCCCC 527a_100000209983_100011934298 [0,1,1,0,0,0|1,0,1]=4 1166 B12R0.113 CCCCC=CC(=O)CC(C)CC 1458a_100016266645_100000748023 [0,1,1,0,0,0|0,0,2]=4 1167 B12R0.113 CCCCC=CC(=O)CC(O)CC 1458a_100016266645_100011218378 [0,1,1,0,0,0|0,0,2]=4 1168 B12R0.113 CCCCC=CC(=O)C[C@@H](C)CC 1458a_100016266645_100009816398 [0,1,1,0,0,0|0,0,2]=4 1169 B12R0.113 CCCCCCC(=O)CC(C)CC 1458a_100000708755_100000210757 [0,1,1,0,0,0|0,0,2]=4 1170 B12R0.113 CCCCCCC(=O)CC(C)CC 1458a_100102632555_100000748023 [0,1,1,0,0,0|0,0,2]=4 1171 B12R0.113 CCCCCCC(=O)CC(O)CC 1458a_100011667805_100000210757 [0,1,1,0,0,0|0,0,2]=4 1172 B12R0.113 CCCCCCC(=O)CC(O)CC 1458a_100102632555_100011218378 [0,1,1,0,0,0|0,0,2]=4 1173 B12R0.113 CCCCCCC(=O)C[C@@H](C)CC 1458a_100102632555_100009816398 [0,1,1,0,0,0|0,0,2]=4 1174 B12R0.113 CCCCCNC(=O)CC(C)CC 11a_100000209983_100000708755 [0,1,1,0,0,0|1,0,1]=4 1175 B12R0.113 CCCCCNC(=O)CC(C)CC 1626a_100000209983_100000708755 [0,1,1,0,0,0|1,0,1]=4 1176 B12R0.113 CCCCCNC(=O)CC(C)CC 240690a_100000209983_100000708755 [0,1,1,0,0,0|1,0,1]=4 1177 B12R0.113 CCCCCNC(=O)CC(C)CC 527a_100000209983_100000708755 [0,1,1,0,0,0|1,0,1]=4 1178 B12R0.113 CCCCCNC(=O)CC(O)CC 1626a_100000209983_100011667805 [0,1,1,0,0,0|1,0,1]=4 1179 B12R0.113 CCCCCNC(=O)CC(O)CC 240690a_100000209983_100011667805 [0,1,1,0,0,0|1,0,1]=4 1180 B12R0.114 C=CCC(C)C(=O)CCCCCC 1458a_100011216819_100000210757 [0,1,1,0,0,0|0,0,2]=4 1181 B12R0.114 C=CCC(C)C(=O)NCCCCC 11a_100000209983_100011216819 [0,1,1,0,0,0|1,0,1]=4 1182 B12R0.114 C=CCC(C)C(=O)NCCCCC 1626a_100000209983_100011216819 [0,1,1,0,0,0|1,0,1]=4 1183 B12R0.114 C=CCC(C)C(=O)NCCCCC 240690a_100000209983_100011216819 [0,1,1,0,0,0|1,0,1]=4 1184 B12R0.114 C=CCC(C)C(=O)NCCCCC 527a_100000209983_100011216819 [0,1,1,0,0,0|1,0,1]=4 1185 B12R0.114 CCCCC=CC(=O)C(C)CCC 1458a_100016266645_100000766640 [0,1,1,0,0,0|0,0,2]=4 1186 B12R0.114 CCCCC=CC(=O)C(C)COC 1458a_100016266645_100000765312 [0,1,1,0,0,0|1,0,1]=4 1187 B12R0.114 CCCCCCC(=O)C(C)CCC 1458a_100000210906_100000210757 [0,1,1,0,0,0|0,0,2]=4 1188 B12R0.114 CCCCCCC(=O)C(C)CCC 1458a_100102632555_100000766640 [0,1,1,0,0,0|0,0,2]=4 1189 B12R0.114 CCCCCCC(=O)C(C)COC 1458a_100000751857_100000210757 [0,1,1,0,0,0|1,0,1]=4 1190 B12R0.114 CCCCCCC(=O)C(C)COC 1458a_100102632555_100000765312 [0,1,1,0,0,0|1,0,1]=4 1191 B12R0.114 CCCCCCC(=O)C(C)CSC 1458a_100000753918_100000210757 [0,1,1,0,0,0|1,0,1]=4 1192 B12R0.114 CCCCCCC(=O)[C@@H](O)CCC 1458a_100009822183_100000210757 [0,1,1,0,0,0|0,0,2]=4 1193 B12R0.114 CCCCCNC(=O)C(C)CCC 11a_100000209983_100000210906 [0,1,1,0,0,0|1,0,1]=4 1194 B12R0.114 CCCCCNC(=O)C(C)CCC 1626a_100000209983_100000210906 [0,1,1,0,0,0|1,0,1]=4 1195 B12R0.114 CCCCCNC(=O)C(C)CCC 240690a_100000209983_100000210906 [0,1,1,0,0,0|1,0,1]=4 1196 B12R0.114 CCCCCNC(=O)C(C)CCC 527a_100000209983_100000210906 [0,1,1,0,0,0|1,0,1]=4 1197 B12R0.114 CCCCCNC(=O)C(C)COC 11a_100000209983_100000751857 [0,1,1,0,0,0|2,0,0]=4 1198 B12R0.114 CCCCCNC(=O)C(C)COC 1626a_100000209983_100000751857 [0,1,1,0,0,0|2,0,0]=4 1199 B12R0.114 CCCCCNC(=O)C(C)COC 240690a_100000209983_100000751857 [0,1,1,0,0,0|2,0,0]=4 1200 B12R0.114 CCCCCNC(=O)C(C)COC 527a_100000209983_100000751857 [0,1,1,0,0,0|2,0,0]=4 1201 B12R0.114 CCCCCNC(=O)C(C)CSC 11a_100000209983_100000753918 [0,1,1,0,0,0|2,0,0]=4 1202 B12R0.114 CCCCCNC(=O)C(C)CSC 1626a_100000209983_100000753918 [0,1,1,0,0,0|2,0,0]=4 1203 B12R0.114 CCCCCNC(=O)C(C)CSC 240690a_100000209983_100000753918 [0,1,1,0,0,0|2,0,0]=4 1204 B12R0.114 CCCCCNC(=O)C(C)CSC 527a_100000209983_100000753918 [0,1,1,0,0,0|2,0,0]=4 1205 B12R0.114 CCCCCNC(=O)[C@@H](O)CCC 240690a_100000209983_100009822183 [0,1,1,0,0,0|1,0,1]=4 1206 B12R0.206 C#CCCC(=O)C=CCCCCC 1458a_100016263427_100000753159 [0,1,1,0,0,0|0,0,2]=4 1207 B12R0.206 C/C=C/CC(=O)C#CCCCCC 1458a_100011215388_100102629194 [0,1,1,0,0,0|0,0,2]=4 1208 B12R0.206 C/C=C/CC(=O)C/C=C/CCCC 1458a_200016282684_100102629194 [0,1,1,0,0,0|0,0,2]=4 1209 B12R0.206 C/C=C/CC(=O)C=CCCCCC 1458a_100016263427_100102629194 [0,1,1,0,0,0|0,0,1]=3 1210 B12R0.206 C/C=C/CC(=O)CCCCCCC 1458a_100000211969_100102629194 [0,1,1,0,0,0|0,0,2]=4 1211 B12R0.206 C/C=C/CC(=O)CCCCCCO 1458a_100011996774_100102629194 [0,1,1,0,0,0|0,0,2]=4 1212 B12R0.206 C/C=C/CC(=O)CCCCCOC 1458a_100011935119_100102629194 [0,1,1,0,0,0|0,0,2]=4 1213 B12R0.206 C=CCCC(=NNCCCCC)C 4a_100000694160_100000762624 [0,1,1,0,0,0|2,0,0]=4 1214 B12R0.206 C=CCCC(=O)C#CCCCCC 1458a_100011215388_100000754431 [0,1,1,0,0,0|0,0,2]=4 1215 B12R0.206 C=CCCC(=O)C/C=C/CCCC 1458a_200016282684_100000754431 [0,1,1,0,0,0|0,0,2]=4 1216 B12R0.206 C=CCCC(=O)C=CCCCCC 1458a_100016263427_100000754431 [0,1,1,0,0,0|0,0,1]=3 1217 B12R0.206 C=CCCC(=O)CCCCCCC 1458a_100000211969_100000754431 [0,1,1,0,0,0|0,0,2]=4 1218 B12R0.206 C=CCCC(=O)CCCCCCC 1458a_100000749702_100000210614 [0,1,1,0,0,0|0,0,2]=4 1219 B12R0.206 C=CCCC(=O)CCCCCCF 1458a_100000749702_100015922095 [0,1,1,0,0,0|0,0,2]=4 1220 B12R0.206 C=CCCC(=O)CCCCCCO 1458a_100000749702_100000766143 [0,1,1,0,0,0|0,0,2]=4 1221 B12R0.206 C=CCCC(=O)CCCCCCO 1458a_100011996774_100000754431 [0,1,1,0,0,0|0,0,2]=4 1222 B12R0.206 C=CCCC(=O)CCCCCOC 1458a_100011935119_100000754431 [0,1,1,0,0,0|0,0,2]=4 1223 B12R0.206 C=CCCC(=O)CCOCCCC 1458a_100000749702_100000743108 [0,1,1,0,0,0|0,0,2]=4 1224 B12R0.206 C=CCCC(=O)NCCCCCC 11a_100000210581_100000749702 [0,1,1,0,0,0|0,0,2]=4 1225 B12R0.206 C=CCCC(=O)NCCCCCC 1626a_100000210581_100000749702 [0,1,1,0,0,0|0,0,2]=4 1226 B12R0.206 C=CCCC(=O)NCCCCCC 240690a_100000210581_100000749702 [0,1,1,0,0,0|0,0,2]=4 1227 B12R0.206 C=CCCC(=O)NCCCCCC 527a_100000210581_100000749702 [0,1,1,0,0,0|0,0,2]=4 1228 B12R0.206 C=CCCC(=O)NCCCCCO 240690a_100000762737_100000749702 [0,1,1,0,0,0|1,0,1]=4 1229 B12R0.206 C=CCCC(=O)NCCCOCC 11a_100000210961_100000749702 [0,1,1,0,0,0|1,0,1]=4 1230 B12R0.206 C=CCCC(=O)NCCCOCC 1626a_100000210961_100000749702 [0,1,1,0,0,0|1,0,1]=4 1231 B12R0.206 C=CCCC(=O)NCCCOCC 240690a_100000210961_100000749702 [0,1,1,0,0,0|1,0,1]=4 1232 B12R0.206 C=CCCC(=O)NCCCOCC 527a_100000210961_100000749702 [0,1,1,0,0,0|1,0,1]=4 1233 B12R0.206 C=CCCC(=O)NCCOCCC 1626a_100161115042_100000749702 [0,1,1,0,0,0|1,0,1]=4 1234 B12R0.206 C=CCCC(=O)NCCOCCC 240690a_100161115042_100000749702 [0,1,1,0,0,0|1,0,1]=4 1235 B12R0.206 C=CCCC(=O)NCCOCCC 527a_100161115042_100000749702 [0,1,1,0,0,0|1,0,1]=4 1236 B12R0.206 C=CCCC(=O)NCCSCCC 11a_100020603323_100000749702 [0,1,1,0,0,0|1,0,1]=4 1237 B12R0.206 C=CCCC(=O)NCCSCCC 240690a_100020603323_100000749702 [0,1,1,0,0,0|1,0,1]=4 1238 B12R0.206 C=CCCC(=O)NCCSCCC 527a_100020603323_100000749702 [0,1,1,0,0,0|1,0,1]=4 1239 B12R0.206 C=CCCC(=O)NNCCCCC 22a_100000694160_100000749702 [0,1,1,0,0,0|1,0,1]=4 1240 B12R0.206 C=CCNC(=O)C=CCCCCC 1626a_100020586998_100016263427 [0,1,1,0,0,0|1,0,1]=4 1241 B12R0.206 C=CCNC(=O)C=CCCCCC 240690a_100020586998_100016263427 [0,1,1,0,0,0|1,0,1]=4 1242 B12R0.206 CC#CCC(=O)C=CCCCCC 1458a_100016263427_100000748600 [0,1,1,0,0,0|0,0,2]=4 1243 B12R0.206 CC=CCC(=O)C#CCCCCC 1458a_100011215388_100000070051 [0,1,1,0,0,0|0,0,2]=4 1244 B12R0.206 CC=CCC(=O)C/C=C/CCCC 1458a_200016282684_100000070051 [0,1,1,0,0,0|0,0,2]=4 1245 B12R0.206 CC=CCC(=O)C=CCCCCC 1458a_100016263427_100000070051 [0,1,1,0,0,0|0,0,1]=3 1246 B12R0.206 CC=CCC(=O)CCCCCCC 1458a_100000211969_100000070051 [0,1,1,0,0,0|0,0,2]=4 1247 B12R0.206 CC=CCC(=O)CCCCCCC 1458a_100121576822_100000210614 [0,1,1,0,0,0|0,0,2]=4 1248 B12R0.206 CC=CCC(=O)CCCCCCF 1458a_100121576822_100015922095 [0,1,1,0,0,0|0,0,2]=4 1249 B12R0.206 CC=CCC(=O)CCCCCCO 1458a_100011996774_100000070051 [0,1,1,0,0,0|0,0,2]=4 1250 B12R0.206 CC=CCC(=O)CCCCCCO 1458a_100121576822_100000766143 [0,1,1,0,0,0|0,0,2]=4 1251 B12R0.206 CC=CCC(=O)CCCCCOC 1458a_100011935119_100000070051 [0,1,1,0,0,0|0,0,2]=4 1252 B12R0.206 CC=CCC(=O)CCOCCCC 1458a_100121576822_100000743108 [0,1,1,0,0,0|0,0,2]=4 1253 B12R0.206 CC=CCC(=O)NCCCCCC 11a_100000210581_100121576822 [0,1,1,0,0,0|0,0,2]=4 1254 B12R0.206 CC=CCC(=O)NCCCCCC 1626a_100000210581_100121576822 [0,1,1,0,0,0|0,0,2]=4 1255 B12R0.206 CC=CCC(=O)NCCCCCC 240690a_100000210581_100121576822 [0,1,1,0,0,0|0,0,2]=4 1256 B12R0.206 CC=CCC(=O)NCCCCCC 527a_100000210581_100121576822 [0,1,1,0,0,0|0,0,2]=4 1257 B12R0.206 CC=CCC(=O)NCCCCCO 240690a_100000762737_100121576822 [0,1,1,0,0,0|1,0,1]=4 1258 B12R0.206 CC=CCC(=O)NCCCOCC 11a_100000210961_100121576822 [0,1,1,0,0,0|1,0,1]=4 1259 B12R0.206 CC=CCC(=O)NCCCOCC 1626a_100000210961_100121576822 [0,1,1,0,0,0|1,0,1]=4 1260 B12R0.206 CC=CCC(=O)NCCCOCC 240690a_100000210961_100121576822 [0,1,1,0,0,0|1,0,1]=4 1261 B12R0.206 CC=CCC(=O)NCCCOCC 527a_100000210961_100121576822 [0,1,1,0,0,0|1,0,1]=4 1262 B12R0.206 CC=CCC(=O)NCCOCCC 1626a_100161115042_100121576822 [0,1,1,0,0,0|1,0,1]=4 1263 B12R0.206 CC=CCC(=O)NCCOCCC 240690a_100161115042_100121576822 [0,1,1,0,0,0|1,0,1]=4 1264 B12R0.206 CC=CCC(=O)NCCOCCC 527a_100161115042_100121576822 [0,1,1,0,0,0|1,0,1]=4 1265 B12R0.206 CC=CCC(=O)NCCSCCC 11a_100020603323_100121576822 [0,1,1,0,0,0|1,0,1]=4 1266 B12R0.206 CC=CCC(=O)NCCSCCC 240690a_100020603323_100121576822 [0,1,1,0,0,0|1,0,1]=4 1267 B12R0.206 CC=CCC(=O)NCCSCCC 527a_100020603323_100121576822 [0,1,1,0,0,0|1,0,1]=4 1268 B12R0.206 CC=CCC(=O)NNCCCCC 22a_100000694160_100121576822 [0,1,1,0,0,0|1,0,1]=4 1269 B12R0.206 CCCC/C=C/CC(=O)CCCC 1458a_200016282684_100000210211 [0,1,1,0,0,0|0,0,2]=4 1270 B12R0.206 CCCC/C=C/CC(=O)CCOC 1458a_200016282684_100000233755 [0,1,1,0,0,0|1,0,1]=4 1271 B12R0.206 CCCC/C=C/CC(=O)CCSC 1458a_200016282684_100000751147 [0,1,1,0,0,0|1,0,1]=4 1272 B12R0.206 CCCCC(=O)CCCCCCF 1458a_100000210183_100015922095 [0,1,1,0,0,0|0,0,2]=4 1273 B12R0.206 CCCCC(=O)CCCCCCO 1458a_100000210183_100000766143 [0,1,1,0,0,0|0,0,2]=4 1274 B12R0.206 CCCCC(=O)CCCCCCO 1458a_100011996774_100000210211 [0,1,1,0,0,0|0,0,2]=4 1275 B12R0.206 CCCCC(=O)CCCCCOC 1458a_100011935119_100000210211 [0,1,1,0,0,0|0,0,2]=4 1276 B12R0.206 CCCCC(=O)NCCCCCO 240690a_100000762737_100000210183 [0,1,1,0,0,0|1,0,1]=4 1277 B12R0.206 CCCCC(=O)NCCCOCC 11a_100000210961_100000210183 [0,1,1,0,0,0|1,0,1]=4 1278 B12R0.206 CCCCC(=O)NCCCOCC 1626a_100000210961_100000210183 [0,1,1,0,0,0|1,0,1]=4 1279 B12R0.206 CCCCC(=O)NCCCOCC 240690a_100000210961_100000210183 [0,1,1,0,0,0|1,0,1]=4 1280 B12R0.206 CCCCC(=O)NCCCOCC 527a_100000210961_100000210183 [0,1,1,0,0,0|1,0,1]=4 1281 B12R0.206 CCCCC(=O)NCCOCCC 1626a_100161115042_100000210183 [0,1,1,0,0,0|1,0,1]=4 1282 B12R0.206 CCCCC(=O)NCCOCCC 240690a_100161115042_100000210183 [0,1,1,0,0,0|1,0,1]=4 1283 B12R0.206 CCCCC(=O)NCCOCCC 527a_100161115042_100000210183 [0,1,1,0,0,0|1,0,1]=4 1284 B12R0.206 CCCCC(=O)NCCSCCC 11a_100020603323_100000210183 [0,1,1,0,0,0|1,0,1]=4 1285 B12R0.206 CCCCC(=O)NCCSCCC 240690a_100020603323_100000210183 [0,1,1,0,0,0|1,0,1]=4 1286 B12R0.206 CCCCC(=O)NCCSCCC 527a_100020603323_100000210183 [0,1,1,0,0,0|1,0,1]=4 1287 B12R0.206 CCCCCC#CC(=O)CCCC 1458a_100011215388_100000210211 [0,1,1,0,0,0|0,0,2]=4 1288 B12R0.206 CCCCCC#CC(=O)CCOC 1458a_100011215388_100000233755 [0,1,1,0,0,0|1,0,1]=4 1289 B12R0.206 CCCCCC#CC(=O)CCSC 1458a_100011215388_100000751147 [0,1,1,0,0,0|1,0,1]=4 1290 B12R0.206 CCCCCC=CC(=O)CCC#N 1458a_100016263427_100011215226 [0,1,1,0,0,0|1,0,1]=4 1291 B12R0.206 CCCCCC=CC(=O)CCCC 1458a_100016263427_100000210211 [0,1,1,0,0,0|0,0,1]=3 1292 B12R0.206 CCCCCC=CC(=O)CCCF 1458a_100016263427_100011934791 [0,1,1,0,0,0|1,0,1]=4 1293 B12R0.206 CCCCCC=CC(=O)CCCO 1458a_100016263427_100011215043 [0,1,1,0,0,0|1,0,1]=4 1294 B12R0.206 CCCCCC=CC(=O)CCOC 1458a_100016263427_100000233755 [0,1,1,0,0,0|1,0,0]=3 1295 B12R0.206 CCCCCC=CC(=O)CCSC 1458a_100016263427_100000751147 [0,1,1,0,0,0|1,0,0]=3 1296 B12R0.206 CCCCCC=CC(=O)NCCC 11a_100020643023_100016263427 [0,1,1,0,0,0|1,0,1]=4 1297 B12R0.206 CCCCCC=CC(=O)NCCC 1626a_100020643023_100016263427 [0,1,1,0,0,0|1,0,1]=4 1298 B12R0.206 CCCCCC=CC(=O)NCCC 240690a_100020643023_100016263427 [0,1,1,0,0,0|1,0,1]=4 1299 B12R0.206 CCCCCCCC(=O)CCCC 1458a_100000210183_100000210614 [0,1,1,0,0,0|0,0,2]=4 1300 B12R0.206 CCCCCCCC(=O)CCCC 1458a_100000211969_100000210211 [0,1,1,0,0,0|0,0,2]=4 1301 B12R0.206 CCCCCCCC(=O)CCOC 1458a_100000211969_100000233755 [0,1,1,0,0,0|1,0,1]=4 1302 B12R0.206 CCCCCCCC(=O)CCOC 1458a_100000749529_100000210614 [0,1,1,0,0,0|1,0,1]=4 1303 B12R0.206 CCCCCCCC(=O)CCSC 1458a_100000174002_100000210614 [0,1,1,0,0,0|1,0,1]=4 1304 B12R0.206 CCCCCCCC(=O)CCSC 1458a_100000211969_100000751147 [0,1,1,0,0,0|1,0,1]=4 1305 B12R0.206 CCCCCCNC(=O)CCCC 11a_100000210581_100000210183 [0,1,1,0,0,0|0,0,2]=4 1306 B12R0.206 CCCCCCNC(=O)CCCC 1626a_100000210581_100000210183 [0,1,1,0,0,0|0,0,2]=4 1307 B12R0.206 CCCCCCNC(=O)CCCC 240690a_100000210581_100000210183 [0,1,1,0,0,0|0,0,2]=4 1308 B12R0.206 CCCCCCNC(=O)CCCC 527a_100000210581_100000210183 [0,1,1,0,0,0|0,0,2]=4 1309 B12R0.206 CCCCCCNC(=O)CCOC 11a_100000210581_100000749529 [0,1,1,0,0,0|1,0,1]=4 1310 B12R0.206 CCCCCCNC(=O)CCOC 1626a_100000210581_100000749529 [0,1,1,0,0,0|1,0,1]=4 1311 B12R0.206 CCCCCCNC(=O)CCOC 240690a_100000210581_100000749529 [0,1,1,0,0,0|1,0,1]=4 1312 B12R0.206 CCCCCCNC(=O)CCOC 527a_100000210581_100000749529 [0,1,1,0,0,0|1,0,1]=4 1313 B12R0.206 CCCCCCNC(=O)CCSC 11a_100000210581_100000174002 [0,1,1,0,0,0|1,0,1]=4 1314 B12R0.206 CCCCCCNC(=O)CCSC 1626a_100000210581_100000174002 [0,1,1,0,0,0|1,0,1]=4 1315 B12R0.206 CCCCCCNC(=O)CCSC 240690a_100000210581_100000174002 [0,1,1,0,0,0|1,0,1]=4 1316 B12R0.206 CCCCCCNC(=O)CCSC 527a_100000210581_100000174002 [0,1,1,0,0,0|1,0,1]=4 1317 B12R0.206 CCCCCNNC(=O)CCCC 22a_100000694160_100000210183 [0,1,1,0,0,0|1,0,1]=4 1318 B12R0.206 CCCCCNNC(=O)CCOC 22a_100000694160_100000749529 [0,1,1,0,0,0|2,0,0]=4 1319 B12R0.206 CCCCCNNC(=O)CCSC 22a_100000694160_100000174002 [0,1,1,0,0,0|2,0,0]=4 1320 B12R0.206 CCCCOCCC(=O)CCCC 1458a_100000210183_100000743108 [0,1,1,0,0,0|0,0,2]=4 1321 B12R0.206 CCCCOCCC(=O)CCOC 1458a_100000749529_100000743108 [0,1,1,0,0,0|1,0,1]=4 1322 B12R0.206 CCCCOCCC(=O)CCSC 1458a_100000174002_100000743108 [0,1,1,0,0,0|1,0,1]=4 1323 B12R0.206 CCCOCCNC(=O)CCOC 1626a_100161115042_100000749529 [0,1,1,0,0,0|2,0,0]=4 1324 B12R0.206 CCCOCCNC(=O)CCOC 240690a_100161115042_100000749529 [0,1,1,0,0,0|2,0,0]=4 1325 B12R0.206 CCCOCCNC(=O)CCOC 527a_100161115042_100000749529 [0,1,1,0,0,0|2,0,0]=4 1326 B12R0.206 CCCOCCNC(=O)CCSC 1626a_100161115042_100000174002 [0,1,1,0,0,0|2,0,0]=4 1327 B12R0.206 CCCOCCNC(=O)CCSC 240690a_100161115042_100000174002 [0,1,1,0,0,0|2,0,0]=4 1328 B12R0.206 CCCOCCNC(=O)CCSC 527a_100161115042_100000174002 [0,1,1,0,0,0|2,0,0]=4 1329 B12R0.206 CCCSCCNC(=O)CCOC 11a_100020603323_100000749529 [0,1,1,0,0,0|2,0,0]=4 1330 B12R0.206 CCCSCCNC(=O)CCOC 240690a_100020603323_100000749529 [0,1,1,0,0,0|2,0,0]=4 1331 B12R0.206 CCCSCCNC(=O)CCOC 527a_100020603323_100000749529 [0,1,1,0,0,0|2,0,0]=4 1332 B12R0.206 CCCSCCNC(=O)CCSC 11a_100020603323_100000174002 [0,1,1,0,0,0|2,0,0]=4 1333 B12R0.206 CCCSCCNC(=O)CCSC 240690a_100020603323_100000174002 [0,1,1,0,0,0|2,0,0]=4 1334 B12R0.206 CCCSCCNC(=O)CCSC 527a_100020603323_100000174002 [0,1,1,0,0,0|2,0,0]=4 1335 B12R0.206 CCOCCCNC(=O)CCOC 11a_100000210961_100000749529 [0,1,1,0,0,0|2,0,0]=4 1336 B12R0.206 CCOCCCNC(=O)CCOC 1626a_100000210961_100000749529 [0,1,1,0,0,0|2,0,0]=4 1337 B12R0.206 CCOCCCNC(=O)CCOC 240690a_100000210961_100000749529 [0,1,1,0,0,0|2,0,0]=4 1338 B12R0.206 CCOCCCNC(=O)CCOC 527a_100000210961_100000749529 [0,1,1,0,0,0|2,0,0]=4 1339 B12R0.206 CCOCCCNC(=O)CCSC 11a_100000210961_100000174002 [0,1,1,0,0,0|2,0,0]=4 1340 B12R0.206 CCOCCCNC(=O)CCSC 1626a_100000210961_100000174002 [0,1,1,0,0,0|2,0,0]=4 1341 B12R0.206 CCOCCCNC(=O)CCSC 240690a_100000210961_100000174002 [0,1,1,0,0,0|2,0,0]=4 1342 B12R0.206 CCOCCCNC(=O)CCSC 527a_100000210961_100000174002 [0,1,1,0,0,0|2,0,0]=4 1343 B12R0.206 COCCC(=O)CCCCCCF 1458a_100000749529_100015922095 [0,1,1,0,0,0|1,0,1]=4 1344 B12R0.206 COCCC(=O)CCCCCCO 1458a_100000749529_100000766143 [0,1,1,0,0,0|1,0,1]=4 1345 B12R0.206 COCCC(=O)CCCCCCO 1458a_100011996774_100000233755 [0,1,1,0,0,0|1,0,1]=4 1346 B12R0.206 COCCC(=O)NCCCCCO 240690a_100000762737_100000749529 [0,1,1,0,0,0|2,0,0]=4 1347 B12R0.206 COCCCCCC(=O)CCOC 1458a_100011935119_100000233755 [0,1,1,0,0,0|1,0,1]=4 1348 B12R0.206 COCCCCCC(=O)CCSC 1458a_100011935119_100000751147 [0,1,1,0,0,0|1,0,1]=4 1349 B12R0.206 CSCCC(=O)CCCCCCF 1458a_100000174002_100015922095 [0,1,1,0,0,0|1,0,1]=4 1350 B12R0.206 CSCCC(=O)CCCCCCO 1458a_100000174002_100000766143 [0,1,1,0,0,0|1,0,1]=4 1351 B12R0.206 CSCCC(=O)CCCCCCO 1458a_100011996774_100000751147 [0,1,1,0,0,0|1,0,1]=4 1352 B12R0.206 CSCCC(=O)NCCCCCO 240690a_100000762737_100000174002 [0,1,1,0,0,0|2,0,0]=4 1353 B12R0.255 C=C(C)CCC(=O)C=CCCCC 1458a_100016266645_100000730704 [0,1,1,0,0,0|0,0,1]=3 1354 B12R0.255 C=C(C)CCC(=O)CCCCCC 1458a_100102632555_100000730704 [0,1,1,0,0,0|0,0,1]=3 1355 B12R0.255 C=C(C)CCC(=O)CCCCCC 1458a_200000688413_100000210757 [0,1,1,0,0,0|0,0,1]=3 1356 B12R0.255 C=C(C)CCC(=O)CCCCCF 1458a_200000688413_100000729378 [0,1,1,0,0,0|1,0,1]=4 1357 B12R0.255 C=C(C)CCC(=O)CCCCCO 1458a_100102619762_100000730704 [0,1,1,0,0,0|1,0,1]=4 1358 B12R0.255 C=C(C)CCC(=O)CCCCCO 1458a_200000688413_100000746330 [0,1,1,0,0,0|1,0,1]=4 1359 B12R0.255 C=C(C)CCC(=O)CCCCOC 1458a_200000688413_100000755781 [0,1,1,0,0,0|1,0,1]=4 1360 B12R0.255 C=C(C)CCC(=O)CCCOCC 1458a_200000688413_100012232248 [0,1,1,0,0,0|1,0,1]=4 1361 B12R0.255 C=C(C)CCC(=O)CCOCCC 1458a_200000688413_100011215938 [0,1,1,0,0,0|1,0,1]=4 1362 B12R0.255 C=C(C)CCC(=O)COCCCC 1458a_100000757543_100000730704 [0,1,1,0,0,0|1,0,1]=4 1363 B12R0.255 C=C(C)CCC(=O)COCCCC 1458a_200000688413_100011995733 [0,1,1,0,0,0|1,0,1]=4 1364 B12R0.255 C=C(C)CCC(=O)CSCCCC 1458a_100000191162_100000730704 [0,1,1,0,0,0|1,0,1]=4 1365 B12R0.255 C=C(C)CCC(=O)NCCCCC 11a_100000209983_200000688413 [0,1,1,0,0,0|1,0,0]=3 1366 B12R0.255 C=C(C)CCC(=O)NCCCCC 1626a_100000209983_200000688413 [0,1,1,0,0,0|1,0,0]=3 1367 B12R0.255 C=C(C)CCC(=O)NCCCCC 240690a_100000209983_200000688413 [0,1,1,0,0,0|1,0,0]=3 1368 B12R0.255 C=C(C)CCC(=O)NCCCCC 527a_100000209983_200000688413 [0,1,1,0,0,0|1,0,0]=3 1369 B12R0.255 C=C(C)CCC(=O)NCCCCO 240690a_100000750430_200000688413 [0,1,1,0,0,0|2,0,0]=4 1370 B12R0.255 C=C(C)CCC(=O)NCCCCO 527a_100000750430_200000688413 [0,1,1,0,0,0|2,0,0]=4 1371 B12R0.255 C=C(C)CCC(=O)NCCCOC 1626a_100150723488_200000688413 [0,1,1,0,0,0|2,0,0]=4 1372 B12R0.255 C=C(C)CCC(=O)NCCCOC 240690a_100150723488_200000688413 [0,1,1,0,0,0|2,0,0]=4 1373 B12R0.255 C=C(C)CCC(=O)NCCCOC 527a_100150723488_200000688413 [0,1,1,0,0,0|2,0,0]=4 1374 B12R0.255 C=C(C)CCC(=O)NCCCSC 11a_100000749238_200000688413 [0,1,1,0,0,0|2,0,0]=4 1375 B12R0.255 C=C(C)CCC(=O)NCCCSC 1626a_100000749238_200000688413 [0,1,1,0,0,0|2,0,0]=4 1376 B12R0.255 C=C(C)CCC(=O)NCCCSC 240690a_100000749238_200000688413 [0,1,1,0,0,0|2,0,0]=4 1377 B12R0.255 C=C(C)CCC(=O)NCCCSC 527a_100000749238_200000688413 [0,1,1,0,0,0|2,0,0]=4 1378 B12R0.255 C=C(C)CCC(=O)NCCOCC 11a_100011200944_200000688413 [0,1,1,0,0,0|2,0,0]=4 1379 B12R0.255 C=C(C)CCC(=O)NCCOCC 1626a_102516460346_200000688413 [0,1,1,0,0,0|2,0,0]=4 1380 B12R0.255 C=C(C)CCC(=O)NCCOCC 240690a_100011200944_200000688413 [0,1,1,0,0,0|2,0,0]=4 1381 B12R0.255 C=C(C)CCC(=O)NCCOCC 527a_100011200944_200000688413 [0,1,1,0,0,0|2,0,0]=4 1382 B12R0.255 C=C(C)CCC(=O)NCCSCC 11a_100000106463_200000688413 [0,1,1,0,0,0|2,0,0]=4 1383 B12R0.255 C=C(C)CCC(=O)NCCSCC 1626a_100000106463_200000688413 [0,1,1,0,0,0|2,0,0]=4 1384 B12R0.255 C=C(C)CCC(=O)NCCSCC 240690a_100000106463_200000688413 [0,1,1,0,0,0|2,0,0]=4 1385 B12R0.255 C=C(C)CCC(=O)NCCSCC 527a_100000106463_200000688413 [0,1,1,0,0,0|2,0,0]=4 1386 B12R0.255 C=C(C)CCC(=O)NNCCCC 22a_100025702795_200000688413 [0,1,1,0,0,0|2,0,0]=4 1387 B12R0.255 C=C(C)CNC(=O)C=CCCCC 11a_100000765925_100016266645 [0,1,1,0,0,0|1,0,1]=4 1388 B12R0.255 C=C(C)CNC(=O)C=CCCCC 1626a_100000765925_100016266645 [0,1,1,0,0,0|1,0,1]=4 1389 B12R0.255 C=C(C)CNC(=O)C=CCCCC 240690a_100000765925_100016266645 [0,1,1,0,0,0|1,0,1]=4 1390 B12R0.255 C=C(C)CNC(=O)CCCCCC 11a_100000765925_100102632555 [0,1,1,0,0,0|1,0,1]=4 1391 B12R0.255 C=C(C)CNC(=O)CCCCCC 1626a_100000765925_100102632555 [0,1,1,0,0,0|1,0,1]=4 1392 B12R0.255 C=C(C)CNC(=O)CCCCCC 240690a_100000765925_100102632555 [0,1,1,0,0,0|1,0,1]=4 1393 B12R0.255 C=C(C)CNC(=O)CCCCCC 527a_100000765925_100102632555 [0,1,1,0,0,0|1,0,1]=4 1394 B12R0.255 C=C(C)CNC(=O)NCCCCC 2708a_100000209983_100000765925 [0,1,1,0,0,0|2,0,0]=4 1395 B12R0.255 C=C(C)CNC(=O)NCCCCC 2708a_100000765925_100000209983 [0,1,1,0,0,0|2,0,0]=4 1396 B12R0.255 C=C(C)CNC(=O)NCCCCC 273464a_100000209983_100000765925 [0,1,1,0,0,0|2,0,0]=4 1397 B12R0.255 C=C(C)CNC(=O)NCCCCC 273464a_100000765925_100000209983 [0,1,1,0,0,0|2,0,0]=4 1398 B12R0.255 C=C(C)CNC(=O)NCCCCC 512a_100000209983_100000765925 [0,1,1,0,0,0|2,0,0]=4 1399 B12R0.255 C=C(C)CNC(=O)NCCCCC 512a_100000765925_100000209983 [0,1,1,0,0,0|2,0,0]=4 1400 B12R0.255 CC(=O)CCC(=O)OCCCCO 1458a_200009914559_200000210301 [0,1,1,0,0,0|2,0,0]=4 1401 B12R0.255 CCCCC=CC(=O)CC=C(C)C 1458a_100016266645_100000761012 [0,1,1,0,0,0|0,0,2]=4 1402 B12R0.255 CCCCC=CC(=O)CCC(C)C 1458a_100016266645_100000210312 [0,1,1,0,0,0|0,0,2]=4 1403 B12R0.255 CCCCC=CC(=O)CCC(C)O 1458a_100016266645_100012276601 [0,1,1,0,0,0|0,0,2]=4 1404 B12R0.255 CCCCCCC(=O)CC=C(C)C 1458a_100011220947_100000210757 [0,1,1,0,0,0|0,0,2]=4 1405 B12R0.255 CCCCCCC(=O)CC=C(C)C 1458a_100102632555_100000761012 [0,1,1,0,0,0|0,0,2]=4 1406 B12R0.255 CCCCCCC(=O)CCC(=O)N 1458a_100011215257_100000210757 [0,1,1,0,0,0|1,0,1]=4 1407 B12R0.255 CCCCCCC(=O)CCC(C)C 1458a_100000181311_100000210757 [0,1,1,0,0,0|0,0,2]=4 1408 B12R0.255 CCCCCCC(=O)CCC(C)C 1458a_100102632555_100000210312 [0,1,1,0,0,0|0,0,2]=4 1409 B12R0.255 CCCCCCC(=O)CCC(C)O 1458a_100102632555_100012276601 [0,1,1,0,0,0|0,0,2]=4 1410 B12R0.255 CCCCCCC(=O)CC[S+](C)C 1458a_100009452791_100000210757 [0,1,1,0,0,0|1,0,1]=4 1411 B12R0.255 CCCCCCC(=O)CNC(=O)C 1458a_100000194580_100000210757 [0,1,1,0,0,0|1,0,1]=4 1412 B12R0.255 CCCCCCC(=O)COC(=O)C 1458a_100000183556_100000210757 [0,1,1,0,0,0|1,0,1]=4 1413 B12R0.255 CCCCCCC(=O)CSC(=O)C 1458a_100000049016_100000210757 [0,1,1,0,0,0|1,0,1]=4 1414 B12R0.255 CCCCCCN(C)CCC(=O)C 269982a_106256046315_100000053229 [0,1,1,0,0,0|1,0,1]=4 1415 B12R0.255 CCCCCCN(C)CCC(=O)N 2230a_100000730477_100000210314 [0,1,1,0,0,0|1,0,1]=4 1416 B12R0.255 CCCCCCN(C)CCC(=O)N 2230a_106256046315_100000744528 [0,1,1,0,0,0|1,0,1]=4 1417 B12R0.255 CCCCCCN(C)CCC(=O)N 269982a_106256046315_100000744528 [0,1,1,0,0,0|1,0,1]=4 1418 B12R0.255 CCCCCNC(=O)CC=C(C)C 11a_100000209983_100011220947 [0,1,1,0,0,0|1,0,1]=4 1419 B12R0.255 CCCCCNC(=O)CC=C(C)C 1626a_100000209983_100011220947 [0,1,1,0,0,0|1,0,1]=4 1420 B12R0.255 CCCCCNC(=O)CC=C(C)C 240690a_100000209983_100011220947 [0,1,1,0,0,0|1,0,1]=4 1421 B12R0.255 CCCCCNC(=O)CC=C(C)C 527a_100000209983_100011220947 [0,1,1,0,0,0|1,0,1]=4 1422 B12R0.255 CCCCCNC(=O)CCC(=O)N 240690a_100000209983_100011215257 [0,1,1,0,0,0|2,0,0]=4 1423 B12R0.255 CCCCCNC(=O)CCC(=O)N 527a_100000209983_100011215257 [0,1,1,0,0,0|2,0,0]=4 1424 B12R0.255 CCCCCNC(=O)CCC(C)C 11a_100000209983_100000181311 [0,1,1,0,0,0|1,0,1]=4 1425 B12R0.255 CCCCCNC(=O)CCC(C)C 1626a_100000209983_100000181311 [0,1,1,0,0,0|1,0,1]=4 1426 B12R0.255 CCCCCNC(=O)CCC(C)C 240690a_100000209983_100000181311 [0,1,1,0,0,0|1,0,1]=4 1427 B12R0.255 CCCCCNC(=O)CCC(C)C 527a_100000209983_100000181311 [0,1,1,0,0,0|1,0,1]=4 1428 B12R0.255 CCCCCNC(=O)CCC(C)O 1626a_100000209983_100000718519 [0,1,1,0,0,0|1,0,1]=4 1429 B12R0.255 CCCCCNC(=O)CCN(C)C 11a_100000209983_100000689311 [0,1,1,0,0,0|2,0,0]=4 1430 B12R0.255 CCCCCNC(=O)CCN(C)C 240690a_100000209983_100000689311 [0,1,1,0,0,0|2,0,0]=4 1431 B12R0.255 CCCCCNC(=O)CCN(C)C 527a_100000209983_100000689311 [0,1,1,0,0,0|2,0,0]=4 1432 B12R0.255 CCCCCNC(=O)CC[S+](C)C 11a_100000209983_100009452791 [0,1,1,0,0,0|2,0,0]=4 1433 B12R0.255 CCCCCNC(=O)CC[S+](C)C 1626a_100000209983_100009452791 [0,1,1,0,0,0|2,0,0]=4 1434 B12R0.255 CCCCCNC(=O)CC[S+](C)C 240690a_100000209983_100009452791 [0,1,1,0,0,0|2,0,0]=4 1435 B12R0.255 CCCCCNC(=O)CNC(=O)C 11a_100000209983_100000194580 [0,1,1,0,0,0|2,0,0]=4 1436 B12R0.255 CCCCCNC(=O)CNC(=O)C 1626a_100000209983_100000194580 [0,1,1,0,0,0|2,0,0]=4 1437 B12R0.255 CCCCCNC(=O)CNC(=O)C 240690a_100000209983_100000194580 [0,1,1,0,0,0|2,0,0]=4 1438 B12R0.255 CCCCCNC(=O)CNC(=O)C 527a_100000209983_100000194580 [0,1,1,0,0,0|2,0,0]=4 1439 B12R0.255 CCCCCNC(=O)COC(=O)C 1626a_100000209983_100000183556 [0,1,1,0,0,0|2,0,0]=4 1440 B12R0.255 CCCCCNC(=O)COC(=O)C 240690a_100000209983_100000183556 [0,1,1,0,0,0|2,0,0]=4 1441 B12R0.255 CCCCCNC(=O)COC(=O)C 527a_100000209983_100000183556 [0,1,1,0,0,0|2,0,0]=4 1442 B12R0.255 CCCCCNC(=O)CSC(=O)C 11a_100000209983_100000049016 [0,1,1,0,0,0|2,0,0]=4 1443 B12R0.255 CCCCCNC(=O)CSC(=O)C 1626a_100000209983_100000049016 [0,1,1,0,0,0|2,0,0]=4 1444 B12R0.255 CCCCCNC(=O)CSC(=O)C 240690a_100000209983_100000049016 [0,1,1,0,0,0|2,0,0]=4 1445 B12R0.255 [13CH3]C(=O)CCC(=O)OCCCCO 1458a_200009914559_200025704644 [0,1,1,0,0,0|2,0,0]=4 1446 B12R0.648 C/C=C/CC(=O)C(C)CCCCC 1458a_100011215998_100102629194 [0,1,1,0,0,0|0,0,2]=4 1447 B12R0.648 C=CCCC(=O)C(C)CCCCC 1458a_100000749702_200011218191 [0,1,1,0,0,0|0,0,2]=4 1448 B12R0.648 C=CCCC(=O)C(C)CCCCC 1458a_100011215998_100000754431 [0,1,1,0,0,0|0,0,2]=4 1449 B12R0.648 C=CCCC(=O)N(C)CCCCC 11a_100000223495_100000749702 [0,1,1,0,0,0|1,0,1]=4 1450 B12R0.648 C=CCCC(=O)N(C)CCCCC 1626a_100000223495_100000749702 [0,1,1,0,0,0|1,0,1]=4 1451 B12R0.648 C=CCCC(=O)N(C)CCCCC 240690a_100000223495_100000749702 [0,1,1,0,0,0|1,0,1]=4 1452 B12R0.648 C=CCCC(=O)N(C)CCCCC 527a_100000223495_100000749702 [0,1,1,0,0,0|1,0,1]=4 1453 B12R0.648 C=CCCN(C)C(=O)CCCCC 11a_100020639649_100000212188 [0,1,1,0,0,0|2,0,0]=4 1454 B12R0.648 C=CCCN(C)C(=O)CCCCC 1626a_100020639649_100000212188 [0,1,1,0,0,0|2,0,0]=4 1455 B12R0.648 C=CCCN(C)C(=O)CCCCC 240690a_100020639649_100000212188 [0,1,1,0,0,0|2,0,0]=4 1456 B12R0.648 C=CCCN(C)C(=O)CCCCC 527a_100020639649_100000212188 [0,1,1,0,0,0|2,0,0]=4 1457 B12R0.648 CC=CCC(=O)C(C)CCCCC 1458a_100011215998_100000070051 [0,1,1,0,0,0|0,0,2]=4 1458 B12R0.648 CC=CCC(=O)C(C)CCCCC 1458a_100121576822_200011218191 [0,1,1,0,0,0|0,0,2]=4 1459 B12R0.648 CC=CCC(=O)N(C)CCCCC 11a_100000223495_100121576822 [0,1,1,0,0,0|1,0,1]=4 1460 B12R0.648 CC=CCC(=O)N(C)CCCCC 1626a_100000223495_100121576822 [0,1,1,0,0,0|1,0,1]=4 1461 B12R0.648 CC=CCC(=O)N(C)CCCCC 240690a_100000223495_100121576822 [0,1,1,0,0,0|1,0,1]=4 1462 B12R0.648 CC=CCC(=O)N(C)CCCCC 527a_100000223495_100121576822 [0,1,1,0,0,0|1,0,1]=4 1463 B12R0.648 CCCCCC(=O)C(=O)NCCC 1458a_200011297150_100000210326 [0,1,1,0,0,0|1,0,1]=4 1464 B12R0.648 CCCCCC(C)C(=O)CCCC 1458a_100000210183_200011218191 [0,1,1,0,0,0|0,0,2]=4 1465 B12R0.648 CCCCCC(C)C(=O)CCCC 1458a_100011215998_100000210211 [0,1,1,0,0,0|0,0,2]=4 1466 B12R0.648 CCCCCC(C)C(=O)CCOC 1458a_100000749529_200011218191 [0,1,1,0,0,0|1,0,1]=4 1467 B12R0.648 CCCCCC(C)C(=O)CCOC 1458a_100011215998_100000233755 [0,1,1,0,0,0|1,0,1]=4 1468 B12R0.648 CCCCCC(C)C(=O)CCSC 1458a_100000174002_200011218191 [0,1,1,0,0,0|1,0,1]=4 1469 B12R0.648 CCCCCC(C)C(=O)CCSC 1458a_100011215998_100000751147 [0,1,1,0,0,0|1,0,1]=4 1470 B12R0.648 CCCCCN(C)C(=O)CCCC 11a_100000223495_100000210183 [0,1,1,0,0,0|1,0,1]=4 1471 B12R0.648 CCCCCN(C)C(=O)CCCC 1626a_100000223495_100000210183 [0,1,1,0,0,0|1,0,1]=4 1472 B12R0.648 CCCCCN(C)C(=O)CCCC 240690a_100000223495_100000210183 [0,1,1,0,0,0|1,0,1]=4 1473 B12R0.648 CCCCCN(C)C(=O)CCCC 527a_100000223495_100000210183 [0,1,1,0,0,0|1,0,1]=4 1474 B12R0.648 CCCCCN(C)C(=O)CCOC 11a_100000223495_100000749529 [0,1,1,0,0,0|2,0,0]=4 1475 B12R0.648 CCCCCN(C)C(=O)CCOC 1626a_100000223495_100000749529 [0,1,1,0,0,0|2,0,0]=4 1476 B12R0.648 CCCCCN(C)C(=O)CCOC 240690a_100000223495_100000749529 [0,1,1,0,0,0|2,0,0]=4 1477 B12R0.648 CCCCCN(C)C(=O)CCOC 527a_100000223495_100000749529 [0,1,1,0,0,0|2,0,0]=4 1478 B12R0.648 CCCCCN(C)C(=O)CCSC 11a_100000223495_100000174002 [0,1,1,0,0,0|2,0,0]=4 1479 B12R0.648 CCCCCN(C)C(=O)CCSC 1626a_100000223495_100000174002 [0,1,1,0,0,0|2,0,0]=4 1480 B12R0.648 CCCCCN(C)C(=O)CCSC 240690a_100000223495_100000174002 [0,1,1,0,0,0|2,0,0]=4 1481 B12R0.648 CCCCCN(C)C(=O)CCSC 527a_100000223495_100000174002 [0,1,1,0,0,0|2,0,0]=4 1482 B12R0.112 CC(=O)N(CCCCCO)C(C)C 240690a_100011629493_100015343762 [0,1,1,0,0,0|1,0,1]=4 1483 B12R0.112 CCCCCSC(C(=O)C)C(=O)C 62a_100000210326_100000210371 [0,1,1,0,0,0|1,0,1]=4 1484 B12R0.112 CCCCCSC(C(=O)C)C(=O)C 62a_100000210371_100000210326 [0,1,1,0,0,0|1,0,1]=4 1485 B12R1.130 C=C(C)COCC1=CCCC1=O 34a_100000087531_100000748629 [1,1,0,0,0,0|1,0,1]=4 1486 B12R1.130 CC(C)COCC1=CCCC1=O 34a_100000087531_100000210624 [1,1,0,0,0,0|1,0,0]=3 1487 B12R1.130 CC(O)COCC1=CCCC1=O 34a_100000087531_100011218427 [1,1,0,0,0,0|1,0,0]=3 1488 B12R1.130 C[C@@H](O)COCC1=CCCC1=O 34a_100000087531_100009817552 [1,1,0,0,0,0|1,0,0]=3 1489 B12R1.130 O=C1CCC=C1COCC(F)F 34a_100000087531_100011934356 [1,1,0,0,0,0|2,0,0]=4 1490 B12R1.353 CC(CO)OCC1=CCCC1=O 34a_100000087531_100012180447 [1,1,0,0,0,0|2,0,0]=4 1491 B12R1.353 CCC(C)OCC1=CCCC1=O 34a_100000087531_100011215416 [1,1,0,0,0,0|1,0,0]=3 1492 B12R1.372 C#CCCOCC1=CCCC1=O 34a_100000087531_100000688953 [1,1,0,0,0,0|0,0,2]=4 1493 B12R1.372 C/C=C/COCC1=CCCC1=O 34a_100000087531_100102629194 [1,1,0,0,0,0|0,0,2]=4 1494 B12R1.372 C=CCCOCC1=CCCC1=O 34a_100000087531_100000754431 [1,1,0,0,0,0|0,0,2]=4 1495 B12R1.372 CC#CCOCC1=CCCC1=O 34a_100000087531_100000748600 [1,1,0,0,0,0|0,0,2]=4 1496 B12R1.372 CC=CCOCC1=CCCC1=O 34a_100000087531_100000070051 [1,1,0,0,0,0|0,0,2]=4 1497 B12R1.372 CCCCCNC1CCCC1=O 2230a_100000209983_100000211823 [1,1,0,0,0,0|0,0,2]=4 1498 B12R1.372 CCCCCOC1CCCC1=O 34a_100000210253_100000709159 [1,1,0,0,0,0|0,0,2]=4 1499 B12R1.372 CCCCCOC1CCCC1=O 34a_200000719330_100000718602 [1,1,0,0,0,0|0,0,2]=4 1500 B12R1.372 CCCCCOC1CCCC1=O 7a_100000210253_100000211823 [1,1,0,0,0,0|0,0,2]=4 1501 B12R1.372 CCCCCSC1CCCC1=O 62a_100000210326_100000211823 [1,1,0,0,0,0|0,0,2]=4 1502 B12R1.372 CCCCCSC1CCCC1=O 62a_100000211823_100000210326 [1,1,0,0,0,0|0,0,2]=4 1503 B12R1.372 CCCCCSc1c[nH]nc1C 62a_100000210326_100000692133 [1,1,0,0,0,0|2,0,0]=4 1504 B12R1.372 CCCCCSc1c[nH]nc1C 62a_100000692133_100000210326 [1,1,0,0,0,0|2,0,0]=4 1505 B12R1.372 CCCCCSc1ccsc1C 62a_100000210326_100000684487 [1,1,0,0,0,0|1,0,1]=4 1506 B12R1.372 CCCCCSc1ccsc1C 62a_100000684487_100000210326 [1,1,0,0,0,0|1,0,1]=4 1507 B12R1.372 CCCCCSc1cnoc1C 62a_100000210326_100009872056 [1,1,0,0,0,0|2,0,0]=4 1508 B12R1.372 CCCCCSc1cnoc1C 62a_100009872056_100000210326 [1,1,0,0,0,0|2,0,0]=4 1509 B12R1.372 CCCCCSc1cscc1C 62a_100000210326_100000759966 [1,1,0,0,0,0|1,0,1]=4 1510 B12R1.372 CCCCCSc1cscc1C 62a_100000759966_100000210326 [1,1,0,0,0,0|1,0,1]=4 1511 B12R1.372 CCCCNCc1c[nH]nc1C 207a_100000102301_100000737037 [1,1,0,0,0,0|2,0,0]=4 1512 B12R1.372 CCCCOCC1=CCCC1=O 34a_100000087531_100000210210 [1,1,0,0,0,0|0,0,0]=2 1513 B12R1.372 CCCCOCc1ccoc1C 34a_100011219433_100000210210 [1,1,0,0,0,0|1,0,1]=4 1514 B12R1.372 CCCCOCc1ccoc1C 7a_100011219433_100000210211 [1,1,0,0,0,0|1,0,1]=4 1515 B12R1.372 CCCCSCN1CCCC1=O 62a_100000026320_100000210210 [1,1,0,0,0,0|1,0,1]=4 1516 B12R1.372 CCCCSCN1CCCC1=O 62a_100000210211_100000026320 [1,1,0,0,0,0|1,0,1]=4 1517 B12R1.372 CCCNCCN1CCCC1=O 2230a_100011200922_100000210303 [1,1,0,0,0,0|1,0,1]=4 1518 B12R1.372 CCCOCCN1CCCC1=O 34a_100000210258_100000739059 [1,1,0,0,0,0|1,0,1]=4 1519 B12R1.372 CCCOCCN1CCCC1=O 34a_100000211209_100000210303 [1,1,0,0,0,0|1,0,1]=4 1520 B12R1.372 CCCOCCN1CCCC1=O 7a_100000211209_100000210303 [1,1,0,0,0,0|1,0,1]=4 1521 B12R1.372 CCCSCCN1CCCC1=O 62a_100000210303_100000739059 [1,1,0,0,0,0|1,0,1]=4 1522 B12R1.372 CCCSCCN1CCCC1=O 62a_100000739059_100000210303 [1,1,0,0,0,0|1,0,1]=4 1523 B12R1.372 CCNCCCN1CCCC1=O 2230a_100000210347_100000210202 [1,1,0,0,0,0|1,0,1]=4 1524 B12R1.372 CCNCCCN1CCCC1=O 34a_100000210347_100000210202 [1,1,0,0,0,0|1,0,1]=4 1525 B12R1.372 CCOCCCN1CCCC1=O 34a_100011216539_100000210202 [1,1,0,0,0,0|1,0,1]=4 1526 B12R1.372 CCOCCCN1CCCC1=O 7a_100011216539_100000210202 [1,1,0,0,0,0|1,0,1]=4 1527 B12R1.372 COCCOCC1=CCCC1=O 34a_100000087531_100011201679 [1,1,0,0,0,0|1,0,0]=3 1528 B12R1.372 CSCCOCC1=CCCC1=O 34a_100000087531_100000212216 [1,1,0,0,0,0|1,0,0]=3 1529 B12R1.372 O=C1CCC=C1COCCCF 34a_100000087531_100011934791 [1,1,0,0,0,0|1,0,0]=3 1530 B12R1.372 O=C1CCC=C1COCCCO 34a_100000087531_100000230001 [1,1,0,0,0,0|1,0,0]=3 1531 B14R1.218 CCCCCNc1cc(n[nH]c1=O)C 27a_100000209983_100009819039 [0,1,0,0,0,1|2,0,0]=4 1532 B14R1.218 CCCCCSc1cc(n[nH]c1=O)C 62a_100000210326_100009819039 [0,1,0,0,0,1|2,0,0]=4 1533 B14R1.218 CCCCCSc1cc(n[nH]c1=O)C 62a_100009819039_100000210326 [0,1,0,0,0,1|2,0,0]=4 1534 B14R1.218 CCCCCSc1nc(c[nH]c1=O)C 62a_100000210326_100009858157 [0,1,0,0,0,1|1,0,1]=4 1535 B14R1.218 CCCCCSc1nc(c[nH]c1=O)C 62a_100009858157_100000210326 [0,1,0,0,0,1|1,0,1]=4 1536 B14R1.20339 CCCCCNC1C(=O)CCCC1=O 2230a_100000209983_100009814513 [0,1,0,0,0,1|1,0,1]=4 1537 B14R1.20339 CCCCCOC1C(=O)CCCC1=O 7a_100000210253_100009814513 [0,1,0,0,0,1|1,0,1]=4 1538 B14R1.20339 CCCCCOc1c(occc1=O)C 34a_100000031901_100000718602 [0,1,0,0,0,1|0,0,2]=4 1539 B14R1.20339 CCCCCSC1C(=O)CCCC1=O 62a_100000210326_100009814513 [0,1,0,0,0,1|1,0,1]=4 1540 B14R1.20339 CCCCCSC1C(=O)CCCC1=O 62a_100009814513_100000210326 [0,1,0,0,0,1|1,0,1]=4 1541 B14R1.20339 CCCCCSc1c(nc[nH]c1=O)C 62a_100000210326_100011356812 [0,1,0,0,0,1|1,0,1]=4 1542 B14R1.20339 CCCCCSc1c(nc[nH]c1=O)C 62a_100011356812_100000210326 [0,1,0,0,0,1|1,0,1]=4 1543 B14R1.1237 CCCCCC=Cc1c([nH][nH]c1=O)C 271570a_100000062253_100000686169 [0,2,0,0,0,0|2,0,0]=4 1544 B14R1.1237 CCCCCCNC1C(=O)CCC1=O 2230a_100000210581_100009820769 [0,2,0,0,0,0|1,0,1]=4 1545 B14R1.1237 CCCCCCOC1C(=O)CCC1=O 7a_100000210259_100009820769 [0,2,0,0,0,0|1,0,1]=4 1546 B14R1.1237 CCCCCCSC1C(=O)CCC1=O 62a_100000210314_100009820769 [0,2,0,0,0,0|1,0,1]=4 1547 B14R1.1237 CCCCCCSC1C(=O)CCC1=O 62a_100009820769_100000210757 [0,2,0,0,0,0|1,0,1]=4 1548 B14R1.1237 CCCCNCCN1C(=O)CCC1=O 2230a_100000102301_100000736797 [0,2,0,0,0,0|2,0,0]=4 1549 B14R1.1237 CCCCNCCN1C(=O)CCC1=O 7a_106832991798_100000736797 [0,2,0,0,0,0|2,0,0]=4 1550 B14R1.1237 CCCCOCCN1C(=O)CCC1=O 34a_100000210227_100000736797 [0,2,0,0,0,0|2,0,0]=4 1551 B14R1.1237 CCCCOCCN1C(=O)CCC1=O 34a_100000230492_100000210210 [0,2,0,0,0,0|2,0,0]=4 1552 B14R1.1237 CCCCOCCN1C(=O)CCC1=O 7a_100000210227_100000736797 [0,2,0,0,0,0|2,0,0]=4 1553 B14R1.1237 CCCCOCSC1C(=O)CCC1=O 62a_100009820769_100011995733 [0,2,0,0,0,0|1,0,1]=4 1554 B14R1.1237 CCCCOCSC1C(=O)CCC1=O 62a_100011995733_100009820769 [0,2,0,0,0,0|1,0,1]=4 1555 B14R1.1237 CCCCSCCN1C(=O)CCC1=O 62a_100000210211_100000736797 [0,2,0,0,0,0|2,0,0]=4 1556 B14R1.1237 CCCOCCCN1C(=O)CCC1=O 34a_100000210258_100011259146 [0,2,0,0,0,0|2,0,0]=4 1557 B14R1.1237 CCCOCCNC1C(=O)CCC1=O 2230a_100161115042_100009820769 [0,2,0,0,0,0|1,0,1]=4 1558 B14R1.1237 CCCOCCOC1C(=O)CCC1=O 7a_100000752267_100009820769 [0,2,0,0,0,0|1,0,1]=4 1559 B14R1.1237 CCCOCCSC1C(=O)CCC1=O 62a_100009820769_100011215938 [0,2,0,0,0,0|1,0,1]=4 1560 B14R1.1237 CCCOCCSC1C(=O)CCC1=O 62a_100011215938_100009820769 [0,2,0,0,0,0|1,0,1]=4 1561 B14R1.1237 CCCSCCCN1C(=O)CCC1=O 62a_100000210303_100011259146 [0,2,0,0,0,0|2,0,0]=4 1562 B14R1.1237 CCCSCCNC1C(=O)CCC1=O 2230a_100020603323_100009820769 [0,2,0,0,0,0|1,0,1]=4 1563 B14R1.1237 CCCSCCOC1C(=O)CCC1=O 7a_200000230433_100009820769 [0,2,0,0,0,0|1,0,1]=4 1564 B14R1.1237 CCOCCCNC1C(=O)CCC1=O 2230a_100000210961_100009820769 [0,2,0,0,0,0|1,0,1]=4 1565 B14R1.1237 CCOCCCOC1C(=O)CCC1=O 7a_100000757476_100009820769 [0,2,0,0,0,0|1,0,1]=4 1566 B14R1.1237 CCOCCCSC1C(=O)CCC1=O 62a_100009820769_100012232248 [0,2,0,0,0,0|1,0,1]=4 1567 B14R1.1237 CCOCCCSC1C(=O)CCC1=O 62a_100012232248_100009820769 [0,2,0,0,0,0|1,0,1]=4 1568 B14R1.1237 CCOCSCCN1C(=O)CCC1=O 62a_100000739092_100000736797 [0,2,0,0,0,0|2,0,0]=4 1569 B14R1.1237 CCSCCCOC1C(=O)CCC1=O 7a_100011216438_100009820769 [0,2,0,0,0,0|1,0,1]=4 1570 B14R1.1237 COCCCCSC1C(=O)CCC1=O 62a_100000730899_100009820769 [0,2,0,0,0,0|1,0,1]=4 1571 B14R1.1237 COCCCCSC1C(=O)CCC1=O 62a_100009820769_100000730899 [0,2,0,0,0,0|1,0,1]=4 1572 B14R1.1237 COCCNCCN1C(=O)CCC1=O 2230a_100000209980_100000736797 [0,2,0,0,0,0|2,0,0]=4 1573 B14R1.1237 COCCOCCN1C(=O)CCC1=O 34a_100000210237_100000736797 [0,2,0,0,0,0|2,0,0]=4 1574 B14R1.1237 COCCOCCN1C(=O)CCC1=O 34a_100000230492_100011201679 [0,2,0,0,0,0|2,0,0]=4 1575 B14R1.1237 COCCSCCN1C(=O)CCC1=O 62a_100000233755_100000736797 [0,2,0,0,0,0|2,0,0]=4 1576 B14R1.1237 COCSCCCN1C(=O)CCC1=O 62a_100000766300_100011259146 [0,2,0,0,0,0|2,0,0]=4 1577 B14R1.1237 CSCCCCOC1C(=O)CCC1=O 7a_100011217163_100009820769 [0,2,0,0,0,0|1,0,1]=4 1578 B14R1.1237 CSCCNCCN1C(=O)CCC1=O 2230a_100020590264_100000736797 [0,2,0,0,0,0|2,0,0]=4 1579 B14R1.1237 CSCCOCCN1C(=O)CCC1=O 34a_100000230434_100000736797 [0,2,0,0,0,0|2,0,0]=4 1580 B14R1.1237 CSCCOCCN1C(=O)CCC1=O 34a_100000230492_100000212216 [0,2,0,0,0,0|2,0,0]=4 1581 B14R1.1237 CSCCOCCN1C(=O)CCC1=O 7a_100000230434_100000736797 [0,2,0,0,0,0|2,0,0]=4 1582 B14R1.1237 CSCCSCCN1C(=O)CCC1=O 62a_100000212216_100000736797 [0,2,0,0,0,0|2,0,0]=4 1583 B14R1.1237 CSCSCCCN1C(=O)CCC1=O 62a_100011218213_100011259146 [0,2,0,0,0,0|2,0,0]=4 1584 B14R1.1237 NCCCOCCN1C(=O)CCC1=O 34a_100000182051_100000736797 [0,2,0,0,0,0|2,0,0]=4 1585 B14R1.1237 NCCOCCCN1C(=O)CCC1=O 34a_100000210304_100011259146 [0,2,0,0,0,0|2,0,0]=4 1586 B14R1.1237 O=C1CCC(=O)C1NCCCCCO 2230a_100000762737_100009820769 [0,2,0,0,0,0|1,0,1]=4 1587 B14R1.1237 O=C1CCC(=O)C1OCCCCCBr 7a_100000746331_100009820769 [0,2,0,0,0,0|1,0,1]=4 1588 B14R1.1237 O=C1CCC(=O)C1OCCCCCCl 7a_100000746330_100009820769 [0,2,0,0,0,0|1,0,1]=4 1589 B14R1.1237 O=C1CCC(=O)C1OCCCCCI 7a_200012148887_100009820769 [0,2,0,0,0,0|1,0,1]=4 1590 B14R1.1237 O=C1CCC(=O)C1SCCCCCF 62a_100000729378_100009820769 [0,2,0,0,0,0|1,0,1]=4 1591 B14R1.1237 O=C1CCC(=O)C1SCCCCCF 62a_100009820769_100000729378 [0,2,0,0,0,0|1,0,1]=4 1592 B14R1.1237 O=C1CCC(=O)C1SCCCCCO 62a_100000746330_100009820769 [0,2,0,0,0,0|1,0,1]=4 1593 B14R1.1237 O=C1CCC(=O)C1SCCCCCO 62a_100009820769_100000746330 [0,2,0,0,0,0|1,0,1]=4 1594 B14R1.1237 O=C1CCC(=O)N1CCCNCCF 34a_100000724931_100011259146 [0,2,0,0,0,0|2,0,0]=4 1595 B14R1.1237 O=C1CCC(=O)N1CCCNCCO 2230a_100016997473_100011259146 [0,2,0,0,0,0|2,0,0]=4 1596 B14R1.1237 O=C1CCC(=O)N1CCCNCCO 34a_100016990907_100011259146 [0,2,0,0,0,0|2,0,0]=4 1597 B14R1.1237 O=C1CCC(=O)N1CCCOCCBr 34a_100000211926_100011259146 [0,2,0,0,0,0|2,0,0]=4 1598 B14R1.1237 O=C1CCC(=O)N1CCCSCCF 62a_100011217306_100011259146 [0,2,0,0,0,0|2,0,0]=4 1599 B14R1.1237 O=C1CCC(=O)N1CCCSCCO 62a_100000211926_100011259146 [0,2,0,0,0,0|2,0,0]=4 1600 B14R1.1237 O=C1CCC(=O)N1CCNCCCF 2230a_100015189416_100000736797 [0,2,0,0,0,0|2,0,0]=4 1601 B14R1.1237 O=C1CCC(=O)N1CCNCCCF 34a_100015189416_100000736797 [0,2,0,0,0,0|2,0,0]=4 1602 B14R1.1237 O=C1CCC(=O)N1CCOCCCBr 34a_100011217188_100000736797 [0,2,0,0,0,0|2,0,0]=4 1603 B14R1.1237 O=C1CCC(=O)N1CCOCCCCl 34a_100000230001_100000736797 [0,2,0,0,0,0|2,0,0]=4 1604 B14R1.1237 O=C1CCC(=O)N1CCOCCCF 34a_100000230492_100011934791 [0,2,0,0,0,0|2,0,0]=4 1605 B14R1.1237 O=C1CCC(=O)N1CCOCCCF 34a_100000759539_100000736797 [0,2,0,0,0,0|2,0,0]=4 1606 B14R1.1237 O=C1CCC(=O)N1CCOCCCO 34a_100000230492_100000230001 [0,2,0,0,0,0|2,0,0]=4 1607 B14R1.1237 O=C1CCC(=O)N1CCSCCCF 62a_100011934791_100000736797 [0,2,0,0,0,0|2,0,0]=4 1608 B14R1.1237 O=C1CCC(=O)N1CCSCCCO 62a_100011215043_100000736797 [0,2,0,0,0,0|2,0,0]=4 1609 B14R1.3032 CCCCCN(C)C1C(=O)CCC1=O 2230a_100000223495_100009820769 [0,2,0,0,0,0|1,0,1]=4 1610 B14R1.3032 CCCCCN(C)C1C(=O)CCC1=O 269982a_100000223495_200134615298 [0,2,0,0,0,0|1,0,1]=4 1611 B14R1.6507 CCCCCSc1c(n[nH]c1C=O)C 62a_100000210326_100009820796 [0,2,0,0,0,0|2,0,0]=4 1612 B14R1.6507 CCCCCSc1c(n[nH]c1C=O)C 62a_100009820796_100000210326 [0,2,0,0,0,0|2,0,0]=4 1613 B14R1.7648 CCC(=O)CCCN1C(=O)CCC1=O 1458a_100000210414_100011259146 [0,2,0,0,0,0|2,0,0]=4 1614 B14R1.7648 CCC(C)CCNC1C(=O)CCC1=O 2230a_100020591266_100009820769 [0,2,0,0,0,0|1,0,1]=4 1615 B14R1.7648 CCC(C)CCOC1C(=O)CCC1=O 7a_100011215188_100009820769 [0,2,0,0,0,0|1,0,1]=4 1616 B14R1.7648 CCC(C)NCCN1C(=O)CCC1=O 2230a_100000209981_100000736797 [0,2,0,0,0,0|2,0,0]=4 1617 B14R1.7648 CCC(C)OCCN1C(=O)CCC1=O 34a_100000230492_100011215416 [0,2,0,0,0,0|2,0,0]=4 1618 B14R1.7648 CCC(C)OCCN1C(=O)CCC1=O 7a_100000210228_100000736797 [0,2,0,0,0,0|2,0,0]=4 1619 B14R1.7648 CCC(C)SCCN1C(=O)CCC1=O 62a_100000758301_100000736797 [0,2,0,0,0,0|2,0,0]=4 1620 B14R1.7648 CCN(C)CCCN1C(=O)CCC1=O 2230a_100000225621_100011259146 [0,2,0,0,0,0|2,0,0]=4 1621 B14R1.7648 CCN(C)CCCN1C(=O)CCC1=O 269982a_100000225621_100011259146 [0,2,0,0,0,0|2,0,0]=4 1622 B14R1.9532 CC(Br)COCCN1C(=O)CCC1=O 34a_100012180447_100000736797 [0,2,0,0,0,0|2,0,0]=4 1623 B14R1.9532 CC(C)CCCNC1C(=O)CCC1=O 2230a_200000737386_100009820769 [0,2,0,0,0,0|1,0,1]=4 1624 B14R1.9532 CC(C)CCCOC1C(=O)CCC1=O 7a_100000210774_100009820769 [0,2,0,0,0,0|1,0,1]=4 1625 B14R1.9532 CC(C)CCCSC1C(=O)CCC1=O 62a_100009820769_100011214892 [0,2,0,0,0,0|1,0,1]=4 1626 B14R1.9532 CC(C)CCCSC1C(=O)CCC1=O 62a_100011214892_100009820769 [0,2,0,0,0,0|1,0,1]=4 1627 B14R1.9532 CC(C)CNCCN1C(=O)CCC1=O 2230a_100000210953_100000736797 [0,2,0,0,0,0|2,0,0]=4 1628 B14R1.9532 CC(C)CNCCN1C(=O)CCC1=O 34a_100000210953_100000736797 [0,2,0,0,0,0|2,0,0]=4 1629 B14R1.9532 CC(C)COCCN1C(=O)CCC1=O 34a_100000210257_100000736797 [0,2,0,0,0,0|2,0,0]=4 1630 B14R1.9532 CC(C)COCCN1C(=O)CCC1=O 34a_100000230492_100000210624 [0,2,0,0,0,0|2,0,0]=4 1631 B14R1.9532 CC(C)CSCCN1C(=O)CCC1=O 62a_100000210624_100000736797 [0,2,0,0,0,0|2,0,0]=4 1632 B14R1.9532 CC(C)NCCCN1C(=O)CCC1=O 2230a_100138425928_100011259146 [0,2,0,0,0,0|2,0,0]=4 1633 B14R1.9532 CC(C)NCCCN1C(=O)CCC1=O 34a_100138425928_100011259146 [0,2,0,0,0,0|2,0,0]=4 1634 B14R1.9532 CC(C)OCCCN1C(=O)CCC1=O 34a_100000212225_100011259146 [0,2,0,0,0,0|2,0,0]=4 1635 B14R1.9532 CC(C)SCCCN1C(=O)CCC1=O 62a_100000210206_100011259146 [0,2,0,0,0,0|2,0,0]=4 1636 B14R1.9532 CC(F)COCCN1C(=O)CCC1=O 34a_100015925927_100000736797 [0,2,0,0,0,0|2,0,0]=4 1637 B14R1.9532 CC(O)CCCSC1C(=O)CCC1=O 62a_100009820769_200000718107 [0,2,0,0,0,0|1,0,1]=4 1638 B14R1.9532 CC(O)CCCSC1C(=O)CCC1=O 62a_200000718107_100009820769 [0,2,0,0,0,0|1,0,1]=4 1639 B14R1.9532 CC(O)CNCCN1C(=O)CCC1=O 2230a_100000210904_100000736797 [0,2,0,0,0,0|2,0,0]=4 1640 B14R1.9532 CC(O)CNCCN1C(=O)CCC1=O 34a_100000210904_100000736797 [0,2,0,0,0,0|2,0,0]=4 1641 B14R1.9532 CC(O)COCCN1C(=O)CCC1=O 34a_100000230492_100011218427 [0,2,0,0,0,0|2,0,0]=4 1642 B14R1.9532 CC(O)CSCCN1C(=O)CCC1=O 62a_100011218427_100000736797 [0,2,0,0,0,0|2,0,0]=4 1643 B14R1.9532 C[C@@H](Cl)COCCN1C(=O)CCC1=O 34a_100016084084_100000736797 [0,2,0,0,0,0|2,0,0]=4 1644 B14R1.9532 C[C@@H](N)COCCN1C(=O)CCC1=O 34a_100000737577_100000736797 [0,2,0,0,0,0|2,0,0]=4 1645 B14R1.9532 C[C@@H](O)COCCN1C(=O)CCC1=O 34a_100000230492_100009817552 [0,2,0,0,0,0|2,0,0]=4 1646 B14R1.9532 C[C@@H](O)CSCCN1C(=O)CCC1=O 62a_100009817552_100000736797 [0,2,0,0,0,0|2,0,0]=4 1647 B14R1.10327 CCCCC(=O)CN1C(=O)CCC1=O 1458a_100000186450_100000210211 [0,2,0,0,0,0|2,0,0]=4 1648 B14R1.10327 CCCCC(C)NC1C(=O)CCC1=O 2230a_100000126638_100009820769 [0,2,0,0,0,0|1,0,1]=4 1649 B14R1.10327 CCCCC(C)OC1C(=O)CCC1=O 7a_100000687866_100009820769 [0,2,0,0,0,0|1,0,1]=4 1650 B14R1.10327 CCCCC(C)SC1C(=O)CCC1=O 62a_100009820769_200011215066 [0,2,0,0,0,0|1,0,1]=4 1651 B14R1.10327 CCCCC(C)SC1C(=O)CCC1=O 62a_200011215066_100009820769 [0,2,0,0,0,0|1,0,1]=4 1652 B14R1.13103 CCCOCCc1c([nH]n(c1=O)C)C 34a_100000067163_100000210303 [0,2,0,0,0,0|2,0,0]=4 1653 B14R1.18023 CCCC(=O)CCN1C(=O)CCC1=O 1458a_100000184106_100000210303 [0,2,0,0,0,0|2,0,0]=4 1654 B14R1.18023 CCCC(=O)CCN1C(=O)CCC1=O 1458a_100000211992_100000736797 [0,2,0,0,0,0|2,0,0]=4 1655 B14R1.18023 CCCC(C)COC1C(=O)CCC1=O 7a_100000688023_100009820769 [0,2,0,0,0,0|1,0,1]=4 1656 B14R1.18023 CCCC(C)CSC1C(=O)CCC1=O 62a_100009820769_100011216630 [0,2,0,0,0,0|1,0,1]=4 1657 B14R1.18023 CCCC(C)CSC1C(=O)CCC1=O 62a_100011216630_100009820769 [0,2,0,0,0,0|1,0,1]=4 1658 B14R1.18023 CCCN(C)CCN1C(=O)CCC1=O 2230a_100000747261_100000736797 [0,2,0,0,0,0|2,0,0]=4 1659 B14R1.18023 CCCN(C)CCN1C(=O)CCC1=O 269982a_100000747261_100000736797 [0,2,0,0,0,0|2,0,0]=4 1660 B12R1.5 CCC(=O)N1CCC(CC1)CC 11a_100000754474_100000210414 [0,0,1,1,0,0|1,0,1]=4 1661 B12R1.5 CCC(=O)N1CCC(CC1)CC 1626a_100000754474_100000210414 [0,0,1,1,0,0|1,0,1]=4 1662 B12R1.5 CCC(=O)N1CCC(CC1)CC 240690a_100000754474_100000210414 [0,0,1,1,0,0|1,0,1]=4 1663 B12R1.5 CCC(=O)N1CCC(CC1)CC 527a_100000754474_100000210414 [0,0,1,1,0,0|1,0,1]=4 1664 B12R1.5 CCC(=O)[C@H]1CC[C@@H](CC1)CC 1458a_100000709782_100000210202 [0,0,1,1,0,0|0,0,2]=4 1665 B12R1.5 CCN1CC=C(CC1)C(=O)OC 2230a_100020587139_100000210202 [0,0,1,1,0,0|2,0,0]=4 1666 B12R1.5 CCN1CC=C(CC1)C(=O)OC 269982a_100020587139_100000204670 [0,0,1,1,0,0|2,0,0]=4 1667 B12R1.365 CCC(=O)C1CCCCCC1=O 1458a_100000210414_100000243696 [0,0,1,1,0,0|1,0,1]=4 1668 B12R1.365 CCC(=O)C1CCCCCN1C 1458a_100015187800_100000210202 [0,0,1,1,0,0|1,0,1]=4 1669 B12R1.365 CCN(C)C1CCCCCC1=O 269982a_100000225621_100000243696 [0,0,1,1,0,0|1,0,1]=4 1670 B12R1.1658 CCC(=O)N1CCCC(CC1)C 11a_100025706717_100000210414 [0,0,1,1,0,0|1,0,1]=4 1671 B12R1.1658 CCC(=O)N1CCCC(CC1)C 1626a_100025706717_100000210414 [0,0,1,1,0,0|1,0,1]=4 1672 B12R1.1658 CCC(=O)N1CCCC(CC1)C 240690a_100025706717_100000210414 [0,0,1,1,0,0|1,0,1]=4 1673 B12R1.1658 CCC(=O)N1CCCC(CC1)C 527a_100025706717_100000210414 [0,0,1,1,0,0|1,0,1]=4 1674 B12R1.1659 CCC(=O)N1CCCCCCC1 11a_100000211400_100000210414 [0,0,1,1,0,0|1,0,1]=4 1675 B12R1.1659 CCC(=O)N1CCCCCCC1 1626a_100000211400_100000210414 [0,0,1,1,0,0|1,0,1]=4 1676 B12R1.1659 CCC(=O)N1CCCCCCC1 240690a_100000211400_100000210414 [0,0,1,1,0,0|1,0,1]=4 1677 B12R1.1659 CCC(=O)N1CCCCCCC1 527a_100000211400_100000210414 [0,0,1,1,0,0|1,0,1]=4 1678 B12R1.7 CCCCCOC1CCC(=O)C1 34a_100012614533_100000718602 [0,0,1,1,0,0|1,0,1]=4 1679 B12R1.30 C/C=C/CC(=O)C1=CCCCC1 1458a_100000765259_100102629194 [0,0,1,1,0,0|0,0,2]=4 1680 B12R1.30 C/C=C/CC(=O)C1CCCCC1 1458a_100000210647_100102629194 [0,0,1,1,0,0|0,0,2]=4 1681 B12R1.30 C=CCCC(=O)C1=CCCCC1 1458a_100000765259_100000754431 [0,0,1,1,0,0|0,0,2]=4 1682 B12R1.30 C=CCCC(=O)C1CCCCC1 1458a_100000210647_100000754431 [0,0,1,1,0,0|0,0,2]=4 1683 B12R1.30 C=CCCC(=O)C1CCCCC1 1458a_100000749702_100000210327 [0,0,1,1,0,0|0,0,2]=4 1684 B12R1.30 CC=CCC(=O)C1=CCCCC1 1458a_100000765259_100000070051 [0,0,1,1,0,0|0,0,2]=4 1685 B12R1.30 CC=CCC(=O)C1CCCCC1 1458a_100000210647_100000070051 [0,0,1,1,0,0|0,0,2]=4 1686 B12R1.30 CC=CCC(=O)C1CCCCC1 1458a_100121576822_100000210327 [0,0,1,1,0,0|0,0,2]=4 1687 B12R1.30 CCCCC(=O)C1=CCCCC1 1458a_100000765259_100000210211 [0,0,1,1,0,0|0,0,2]=4 1688 B12R1.30 CCCCC(=O)C1CCCCC1 1458a_100000210183_100000210327 [0,0,1,1,0,0|0,0,2]=4 1689 B12R1.30 CCCCC(=O)C1CCCCC1 1458a_100000210647_100000210211 [0,0,1,1,0,0|0,0,2]=4 1690 B12R1.30 CNCCC(=O)N1CCCCC1 2230a_106832991635_100102558178 [0,0,1,1,0,0|2,0,0]=4 1691 B12R1.30 CNCCC(=O)N1CCCCC1 34a_100102657272_100102558178 [0,0,1,1,0,0|2,0,0]=4 1692 B12R1.30 CNCCC(=O)N1CCCCC1 7a_106832991635_100102558178 [0,0,1,1,0,0|2,0,0]=4 1693 B12R1.30 COCCC(=O)C1=CCCCC1 1458a_100000765259_100000233755 [0,0,1,1,0,0|1,0,1]=4 1694 B12R1.30 COCCC(=O)C1CCCCC1 1458a_100000210647_100000233755 [0,0,1,1,0,0|1,0,1]=4 1695 B12R1.30 COCCC(=O)C1CCCCC1 1458a_100000749529_100000210327 [0,0,1,1,0,0|1,0,1]=4 1696 B12R1.30 COCCC(=O)N1CCCCC1 34a_100138415774_100102558178 [0,0,1,1,0,0|2,0,0]=4 1697 B12R1.30 CSCCC(=O)C1=CCCCC1 1458a_100000765259_100000751147 [0,0,1,1,0,0|1,0,1]=4 1698 B12R1.30 CSCCC(=O)C1CCCCC1 1458a_100000174002_100000210327 [0,0,1,1,0,0|1,0,1]=4 1699 B12R1.30 CSCCC(=O)C1CCCCC1 1458a_100000210647_100000751147 [0,0,1,1,0,0|1,0,1]=4 1700 B12R1.30 CSCCC(=O)N1CCCCC1 62a_100102558178_200000210301 [0,0,1,1,0,0|2,0,0]=4 1701 B12R1.30 CSCCC(=O)N1CCCCC1 62a_200000210301_100102558178 [0,0,1,1,0,0|2,0,0]=4 1702 B12R1.30 [13CH3]SCCC(=O)N1CCCCC1 62a_100102558178_200025704644 [0,0,1,1,0,0|2,0,0]=4 1703 B12R1.30 [13CH3]SCCC(=O)N1CCCCC1 62a_200025704644_100102558178 [0,0,1,1,0,0|2,0,0]=4 1704 B12R1.53 C/C=C/CC(=O)C=C1CCCC1 1458a_100000743260_100102629194 [0,0,1,1,0,0|0,0,2]=4 1705 B12R1.53 C/C=C/CC(=O)CC1CCCC1 1458a_100000210891_100102629194 [0,0,1,1,0,0|0,0,2]=4 1706 B12R1.53 C=CCCC(=O)C=C1CCCC1 1458a_100000743260_100000754431 [0,0,1,1,0,0|0,0,2]=4 1707 B12R1.53 C=CCCC(=O)CC1CCCC1 1458a_100000210891_100000754431 [0,0,1,1,0,0|0,0,2]=4 1708 B12R1.53 C=CCCC(=O)CC1CCCC1 1458a_100000749702_100000740388 [0,0,1,1,0,0|0,0,2]=4 1709 B12R1.53 C=CCCC(=O)NC1CCCC1 11a_100000211070_100000749702 [0,0,1,1,0,0|1,0,1]=4 1710 B12R1.53 C=CCCC(=O)NC1CCCC1 1626a_100000211070_100000749702 [0,0,1,1,0,0|1,0,1]=4 1711 B12R1.53 C=CCCC(=O)NC1CCCC1 240690a_100000211070_100000749702 [0,0,1,1,0,0|1,0,1]=4 1712 B12R1.53 C=CCCC(=O)NC1CCCC1 527a_100000211070_100000749702 [0,0,1,1,0,0|1,0,1]=4 1713 B12R1.53 CC=CCC(=O)C=C1CCCC1 1458a_100000743260_100000070051 [0,0,1,1,0,0|0,0,2]=4 1714 B12R1.53 CC=CCC(=O)CC1CCCC1 1458a_100000210891_100000070051 [0,0,1,1,0,0|0,0,2]=4 1715 B12R1.53 CC=CCC(=O)CC1CCCC1 1458a_100121576822_100000740388 [0,0,1,1,0,0|0,0,2]=4 1716 B12R1.53 CC=CCC(=O)NC1CCCC1 11a_100000211070_100121576822 [0,0,1,1,0,0|1,0,1]=4 1717 B12R1.53 CC=CCC(=O)NC1CCCC1 1626a_100000211070_100121576822 [0,0,1,1,0,0|1,0,1]=4 1718 B12R1.53 CC=CCC(=O)NC1CCCC1 240690a_100000211070_100121576822 [0,0,1,1,0,0|1,0,1]=4 1719 B12R1.53 CC=CCC(=O)NC1CCCC1 527a_100000211070_100121576822 [0,0,1,1,0,0|1,0,1]=4 1720 B12R1.53 CCCCC(=O)C=C1CCCC1 1458a_100000743260_100000210211 [0,0,1,1,0,0|0,0,2]=4 1721 B12R1.53 CCCCC(=O)CC1CCCC1 1458a_100000210183_100000740388 [0,0,1,1,0,0|0,0,2]=4 1722 B12R1.53 CCCCC(=O)CC1CCCC1 1458a_100000210891_100000210211 [0,0,1,1,0,0|0,0,2]=4 1723 B12R1.53 CCCCC(=O)NC1CCCC1 11a_100000211070_100000210183 [0,0,1,1,0,0|1,0,1]=4 1724 B12R1.53 CCCCC(=O)NC1CCCC1 1626a_100000211070_100000210183 [0,0,1,1,0,0|1,0,1]=4 1725 B12R1.53 CCCCC(=O)NC1CCCC1 240690a_100000211070_100000210183 [0,0,1,1,0,0|1,0,1]=4 1726 B12R1.53 CCCCC(=O)NC1CCCC1 527a_100000211070_100000210183 [0,0,1,1,0,0|1,0,1]=4 1727 B12R1.53 CNCCC(=O)NC1CCCC1 2230a_106832991635_100000743710 [0,0,1,1,0,0|2,0,0]=4 1728 B12R1.53 CNCCC(=O)NC1CCCC1 7a_106832991635_100000743710 [0,0,1,1,0,0|2,0,0]=4 1729 B12R1.53 COCCC(=O)C=C1CCCC1 1458a_100000743260_100000233755 [0,0,1,1,0,0|1,0,1]=4 1730 B12R1.53 COCCC(=O)CC1CCCC1 1458a_100000210891_100000233755 [0,0,1,1,0,0|1,0,1]=4 1731 B12R1.53 COCCC(=O)CC1CCCC1 1458a_100000749529_100000740388 [0,0,1,1,0,0|1,0,1]=4 1732 B12R1.53 COCCC(=O)NC1CCCC1 11a_100000211070_100000749529 [0,0,1,1,0,0|2,0,0]=4 1733 B12R1.53 COCCC(=O)NC1CCCC1 1626a_100000211070_100000749529 [0,0,1,1,0,0|2,0,0]=4 1734 B12R1.53 COCCC(=O)NC1CCCC1 240690a_100000211070_100000749529 [0,0,1,1,0,0|2,0,0]=4 1735 B12R1.53 COCCC(=O)NC1CCCC1 527a_100000211070_100000749529 [0,0,1,1,0,0|2,0,0]=4 1736 B12R1.53 CSCCC(=O)C=C1CCCC1 1458a_100000743260_100000751147 [0,0,1,1,0,0|1,0,1]=4 1737 B12R1.53 CSCCC(=O)CC1CCCC1 1458a_100000174002_100000740388 [0,0,1,1,0,0|1,0,1]=4 1738 B12R1.53 CSCCC(=O)CC1CCCC1 1458a_100000210891_100000751147 [0,0,1,1,0,0|1,0,1]=4 1739 B12R1.53 CSCCC(=O)NC1CCCC1 11a_100000211070_100000174002 [0,0,1,1,0,0|2,0,0]=4 1740 B12R1.53 CSCCC(=O)NC1CCCC1 1626a_100000211070_100000174002 [0,0,1,1,0,0|2,0,0]=4 1741 B12R1.53 CSCCC(=O)NC1CCCC1 240690a_100000211070_100000174002 [0,0,1,1,0,0|2,0,0]=4 1742 B12R1.53 CSCCC(=O)NC1CCCC1 527a_100000211070_100000174002 [0,0,1,1,0,0|2,0,0]=4 1743 B12R1.53 CSCCC(=O)NC1CCCC1 62a_100000743710_200000210301 [0,0,1,1,0,0|2,0,0]=4 1744 B12R1.53 CSCCC(=O)NC1CCCC1 62a_200000210301_100000743710 [0,0,1,1,0,0|2,0,0]=4 1745 B12R1.53 [13CH3]SCCC(=O)NC1CCCC1 62a_100000743710_200025704644 [0,0,1,1,0,0|2,0,0]=4 1746 B12R1.53 [13CH3]SCCC(=O)NC1CCCC1 62a_200025704644_100000743710 [0,0,1,1,0,0|2,0,0]=4 1747 B12R1.463 C=CCCC(=O)NCC1CCC1 11a_100000738700_100000749702 [0,0,1,1,0,0|1,0,1]=4 1748 B12R1.463 C=CCCC(=O)NCC1CCC1 1626a_100000738700_100000749702 [0,0,1,1,0,0|1,0,1]=4 1749 B12R1.463 C=CCCC(=O)NCC1CCC1 240690a_100000738700_100000749702 [0,0,1,1,0,0|1,0,1]=4 1750 B12R1.463 C=CCCC(=O)NCC1CCC1 527a_100000738700_100000749702 [0,0,1,1,0,0|1,0,1]=4 1751 B12R1.463 CC=CCC(=O)NCC1CCC1 11a_100000738700_100121576822 [0,0,1,1,0,0|1,0,1]=4 1752 B12R1.463 CC=CCC(=O)NCC1CCC1 1626a_100000738700_100121576822 [0,0,1,1,0,0|1,0,1]=4 1753 B12R1.463 CC=CCC(=O)NCC1CCC1 240690a_100000738700_100121576822 [0,0,1,1,0,0|1,0,1]=4 1754 B12R1.463 CC=CCC(=O)NCC1CCC1 527a_100000738700_100121576822 [0,0,1,1,0,0|1,0,1]=4 1755 B12R1.463 CCCCC(=O)NCC1CCC1 11a_100000738700_100000210183 [0,0,1,1,0,0|1,0,1]=4 1756 B12R1.463 CCCCC(=O)NCC1CCC1 1626a_100000738700_100000210183 [0,0,1,1,0,0|1,0,1]=4 1757 B12R1.463 CCCCC(=O)NCC1CCC1 240690a_100000738700_100000210183 [0,0,1,1,0,0|1,0,1]=4 1758 B12R1.463 CCCCC(=O)NCC1CCC1 527a_100000738700_100000210183 [0,0,1,1,0,0|1,0,1]=4 1759 B12R1.463 COCCC(=O)NCC1CCC1 11a_100000738700_100000749529 [0,0,1,1,0,0|2,0,0]=4 1760 B12R1.463 COCCC(=O)NCC1CCC1 1626a_100000738700_100000749529 [0,0,1,1,0,0|2,0,0]=4 1761 B12R1.463 COCCC(=O)NCC1CCC1 240690a_100000738700_100000749529 [0,0,1,1,0,0|2,0,0]=4 1762 B12R1.463 COCCC(=O)NCC1CCC1 527a_100000738700_100000749529 [0,0,1,1,0,0|2,0,0]=4 1763 B12R1.463 CSCCC(=O)NCC1CCC1 11a_100000738700_100000174002 [0,0,1,1,0,0|2,0,0]=4 1764 B12R1.463 CSCCC(=O)NCC1CCC1 1626a_100000738700_100000174002 [0,0,1,1,0,0|2,0,0]=4 1765 B12R1.463 CSCCC(=O)NCC1CCC1 240690a_100000738700_100000174002 [0,0,1,1,0,0|2,0,0]=4 1766 B12R1.463 CSCCC(=O)NCC1CCC1 527a_100000738700_100000174002 [0,0,1,1,0,0|2,0,0]=4 1767 B12R1.464 C=CCCC(=O)NCCC1CC1 1626a_100000764129_100000749702 [0,0,1,1,0,0|1,0,1]=4 1768 B12R1.464 C=CCCC(=O)NCCC1CC1 240690a_100000764129_100000749702 [0,0,1,1,0,0|1,0,1]=4 1769 B12R1.464 C=CCCC(=O)NCCC1CC1 527a_100000764129_100000749702 [0,0,1,1,0,0|1,0,1]=4 1770 B12R1.464 CC=CCC(=O)NCCC1CC1 1626a_100000764129_100121576822 [0,0,1,1,0,0|1,0,1]=4 1771 B12R1.464 CC=CCC(=O)NCCC1CC1 240690a_100000764129_100121576822 [0,0,1,1,0,0|1,0,1]=4 1772 B12R1.464 CC=CCC(=O)NCCC1CC1 527a_100000764129_100121576822 [0,0,1,1,0,0|1,0,1]=4 1773 B12R1.464 CCCCC(=O)NCCC1CC1 1626a_100000764129_100000210183 [0,0,1,1,0,0|1,0,1]=4 1774 B12R1.464 CCCCC(=O)NCCC1CC1 240690a_100000764129_100000210183 [0,0,1,1,0,0|1,0,1]=4 1775 B12R1.464 CCCCC(=O)NCCC1CC1 527a_100000764129_100000210183 [0,0,1,1,0,0|1,0,1]=4 1776 B12R1.464 COCCC(=O)NCCC1CC1 1626a_100000764129_100000749529 [0,0,1,1,0,0|2,0,0]=4 1777 B12R1.464 COCCC(=O)NCCC1CC1 240690a_100000764129_100000749529 [0,0,1,1,0,0|2,0,0]=4 1778 B12R1.464 COCCC(=O)NCCC1CC1 527a_100000764129_100000749529 [0,0,1,1,0,0|2,0,0]=4 1779 B12R1.464 CSCCC(=O)NCCC1CC1 1626a_100000764129_100000174002 [0,0,1,1,0,0|2,0,0]=4 1780 B12R1.464 CSCCC(=O)NCCC1CC1 240690a_100000764129_100000174002 [0,0,1,1,0,0|2,0,0]=4 1781 B12R1.464 CSCCC(=O)NCCC1CC1 527a_100000764129_100000174002 [0,0,1,1,0,0|2,0,0]=4 1782 B12R1.561 CCCCC=CC(=O)C1CCC1 1458a_100016266645_100000749161 [0,0,1,1,0,0|0,0,2]=4 1783 B12R1.561 CCCCC=CC(=O)C1COC1 1458a_100016266645_100000687716 [0,0,1,1,0,0|1,0,1]=4 1784 B12R1.561 CCCCCCC(=O)C1CCC1 1458a_100000209988_100000210757 [0,0,1,1,0,0|0,0,2]=4 1785 B12R1.561 CCCCCCC(=O)C1CCC1 1458a_100102632555_100000749161 [0,0,1,1,0,0|0,0,2]=4 1786 B12R1.561 CCCCCCC(=O)C1COC1 1458a_100000758290_100000210757 [0,0,1,1,0,0|1,0,1]=4 1787 B12R1.561 CCCCCCC(=O)C1COC1 1458a_100102632555_100000687716 [0,0,1,1,0,0|1,0,1]=4 1788 B12R1.561 CCCCCNC(=O)C1CCC1 11a_100000209983_100000209988 [0,0,1,1,0,0|1,0,1]=4 1789 B12R1.561 CCCCCNC(=O)C1CCC1 1626a_100000209983_100000209988 [0,0,1,1,0,0|1,0,1]=4 1790 B12R1.561 CCCCCNC(=O)C1CCC1 240690a_100000209983_100000209988 [0,0,1,1,0,0|1,0,1]=4 1791 B12R1.561 CCCCCNC(=O)C1CCC1 527a_100000209983_100000209988 [0,0,1,1,0,0|1,0,1]=4 1792 B12R1.561 CCCCCNC(=O)C1COC1 11a_100000209983_100000758290 [0,0,1,1,0,0|2,0,0]=4 1793 B12R1.561 CCCCCNC(=O)C1COC1 1626a_100000209983_100000758290 [0,0,1,1,0,0|2,0,0]=4 1794 B12R1.561 CCCCCNC(=O)C1COC1 240690a_100000209983_100000758290 [0,0,1,1,0,0|2,0,0]=4 1795 B12R1.561 CCCCCNC(=O)C1COC1 527a_100000209983_100000758290 [0,0,1,1,0,0|2,0,0]=4 1796 B12R1.563 CCCCC=CC(=O)CC1CC1 1458a_100016266645_100000742324 [0,0,1,1,0,0|0,0,2]=4 1797 B12R1.563 CCCCC=CC(=O)CC1CO1 1458a_100016266645_100011216344 [0,0,1,1,0,0|1,0,1]=4 1798 B12R1.563 CCCCC=CC(=O)CC1CS1 1458a_100016266645_100000031435 [0,0,1,1,0,0|1,0,1]=4 1799 B12R1.563 CCCCC=CC(=O)C[C@@H]1CO1 1458a_100016266645_100000745022 [0,0,1,1,0,0|1,0,1]=4 1800 B12R1.563 CCCCCCC(=O)CC1CC1 1458a_100000738066_100000210757 [0,0,1,1,0,0|0,0,2]=4 1801 B12R1.563 CCCCCCC(=O)CC1CC1 1458a_100102632555_100000742324 [0,0,1,1,0,0|0,0,2]=4 1802 B12R1.563 CCCCCCC(=O)CC1CO1 1458a_100102632555_100011216344 [0,0,1,1,0,0|1,0,1]=4 1803 B12R1.563 CCCCCCC(=O)CC1CS1 1458a_100102632555_100000031435 [0,0,1,1,0,0|1,0,1]=4 1804 B12R1.563 CCCCCCC(=O)C[C@@H]1CO1 1458a_100102632555_100000745022 [0,0,1,1,0,0|1,0,1]=4 1805 B12R1.563 CCCCCNC(=O)CC1CC1 11a_100000209983_100000738066 [0,0,1,1,0,0|1,0,1]=4 1806 B12R1.563 CCCCCNC(=O)CC1CC1 1626a_100000209983_100000738066 [0,0,1,1,0,0|1,0,1]=4 1807 B12R1.563 CCCCCNC(=O)CC1CC1 240690a_100000209983_100000738066 [0,0,1,1,0,0|1,0,1]=4 1808 B12R1.563 CCCCCNC(=O)CC1CC1 527a_100000209983_100000738066 [0,0,1,1,0,0|1,0,1]=4 1809 B12R1.2563 CCCCCCC(=O)C1CC1C 1458a_100000211227_100000210757 [0,0,1,1,0,0|0,0,2]=4 1810 B12R1.2563 CCCCCNC(=O)C1CC1C 11a_100000209983_100000211227 [0,0,1,1,0,0|1,0,1]=4 1811 B12R1.2563 CCCCCNC(=O)C1CC1C 1626a_100000209983_100000211227 [0,0,1,1,0,0|1,0,1]=4 1812 B12R1.2563 CCCCCNC(=O)C1CC1C 527a_100000209983_100000211227 [0,0,1,1,0,0|1,0,1]=4 1813 B12R1.1395 CC(=O)N(C(C)C)C1CCCC1 11a_100000736669_100015343762 [0,0,1,1,0,0|1,0,1]=4 1814 B12R1.1395 CC(=O)N(C(C)C)C1CCCC1 1626a_100000736669_100015343762 [0,0,1,1,0,0|1,0,1]=4 1815 B12R1.1395 CC(=O)N(C(C)C)C1CCCC1 240690a_100000736669_100015343762 [0,0,1,1,0,0|1,0,1]=4 1816 B12R2.466 O=C1CCC=C1COC2CC2 34a_100000087531_100000211595 [1,0,0,1,0,0|1,0,0]=3 1817 B14R2.51 CN1CCNC(=O)C12CCCCC2 2230a_100011653902_200000210301 [0,0,0,1,0,1|1,0,1]=4 1818 B14R2.51 CN1CCNC(=O)C12CCCCC2 269982a_100011653902_200000210301 [0,0,0,1,0,1|1,0,1]=4 1819 B14R2.51 CN1CCNC(=O)C12CCCCC2 34a_100011653902_200000210301 [0,0,0,1,0,1|1,0,1]=4 1820 B14R2.51 [13CH3]N1CCNC(=O)C12CCCCC2 2230a_100011653902_200025704644 [0,0,0,1,0,1|1,0,1]=4 1821 B14R2.51 [13CH3]N1CCNC(=O)C12CCCCC2 269982a_100011653902_200025704644 [0,0,0,1,0,1|1,0,1]=4 1822 B14R2.51 [13CH3]N1CCNC(=O)C12CCCCC2 34a_100011653902_200025704644 [0,0,0,1,0,1|1,0,1]=4 1823 B14R2.4517 O=C1CCC(=O)C1OCCC2CC2 7a_100000754188_100009820769 [0,1,0,1,0,0|1,0,1]=4 1824 B14R2.4517 O=C1CCC(=O)C1SCCC2CC2 62a_100000764125_100009820769 [0,1,0,1,0,0|1,0,1]=4 1825 B14R2.4517 O=C1CCC(=O)C1SCCC2CC2 62a_100009820769_100000764125 [0,1,0,1,0,0|1,0,1]=4 1826 B14R2.4517 O=C1CCC(=O)N1CCNC2CC2 34a_100000212008_100000736797 [0,1,0,1,0,0|2,0,0]=4 1827 B14R2.4517 O=C1CCC(=O)N1CCOC2CC2 34a_100000230492_100000211595 [0,1,0,1,0,0|2,0,0]=4 1828 B14R2.4568 O=C1CCC(=O)C1NCC2CCC2 2230a_100000738700_100009820769 [0,1,0,1,0,0|1,0,1]=4 1829 B14R2.4568 O=C1CCC(=O)C1SCC2CCC2 62a_100000763275_100009820769 [0,1,0,1,0,0|1,0,1]=4 1830 B14R2.4568 O=C1CCC(=O)C1SCC2CCC2 62a_100009820769_100000763275 [0,1,0,1,0,0|1,0,1]=4 1831 B14R2.4568 O=C1CCC(=O)N1CCN2CCC2 269982a_100000754969_100000736797 [0,1,0,1,0,0|2,0,0]=4 1832 B14R2.4572 O=C1CCC(=O)C1NC2CCCC2 2230a_100000211070_100009820769 [0,1,0,1,0,0|1,0,1]=4 1833 B14R2.4572 O=C1CCC(=O)C1OC2CCCC2 7a_100000210269_100009820769 [0,1,0,1,0,0|1,0,1]=4 1834 B14R2.4572 O=C1CCC(=O)C1SC2CCCC2 62a_100009820769_100000179811 [0,1,0,1,0,0|1,0,1]=4 1835 B14R2.4572 O=C1CCC(=O)C1SC2CCCC2 62a_100011217020_100009820769 [0,1,0,1,0,0|1,0,1]=4 1836 B14R2.4733 C[C@@H]1CCCN1C2C(=O)CCC2=O 2230a_100015189458_100009820769 [0,1,0,1,0,0|1,0,1]=4 1837 B14R2.4733 C[C@@H]1CCCN1C2C(=O)CCC2=O 269982a_100015189458_200134615298 [0,1,0,1,0,0|1,0,1]=4 1838 B14R2.4733 C[C@H]1CCCN1C2C(=O)CCC2=O 2230a_100020605311_100009820769 [0,1,0,1,0,0|1,0,1]=4 1839 B14R2.4733 C[C@H]1CCCN1C2C(=O)CCC2=O 269982a_100020605311_200134615298 [0,1,0,1,0,0|1,0,1]=4 1840 B14R2.6412 CCCN1CCN2C(=O)CCC2C1 2230a_100020639069_100000210303 [0,1,0,1,0,0|1,0,1]=4 1841 B14R2.6412 CCCN1CCN2C(=O)CCC2C1 269982a_100020639069_100000210303 [0,1,0,1,0,0|1,0,1]=4 1842 B14R2.6412 CCCN1CCN2C(=O)CCC2C1 34a_100020639069_100000210303 [0,1,0,1,0,0|1,0,1]=4 1843 B14R2.6434 CCCN1CCN2C1(CCC2=O)C 2230a_100015200140_100000210303 [0,1,0,1,0,0|1,0,1]=4 1844 B14R2.6434 CCCN1CCN2C1(CCC2=O)C 269982a_100015200140_100000210303 [0,1,0,1,0,0|1,0,1]=4 1845 B14R2.6434 CCCN1CCN2C1(CCC2=O)C 34a_100015200140_100000210303 [0,1,0,1,0,0|1,0,1]=4 1846 B14R2.11698 CCN1CCCN2C1(CCC2=O)C 2230a_100015200138_100000210202 [0,1,0,1,0,0|1,0,1]=4 1847 B14R2.11698 CCN1CCCN2C1(CCC2=O)C 269982a_100015200138_100000204670 [0,1,0,1,0,0|1,0,1]=4 1848 B14R2.11698 CCN1CCCN2C1(CCC2=O)C 34a_100015200138_100000210202 [0,1,0,1,0,0|1,0,1]=4 1849 B14R2.21329 CC1CC1COC2C(=O)CCC2=O 7a_100000744939_100009820769 [0,1,0,1,0,0|1,0,1]=4 1850 B10R1.37 CCCCCN1CCC1C 269982a_100000755817_100000210215 [1,0,0,0,1,0|1,0,1]=4 1851 B10R1.37 CCCCCN1CCC1C 34a_100000755817_100000718602 [1,0,0,0,1,0|1,0,1]=4 1852 B10R1.37 CCCCNC1CCC1=O 7a_106832991798_100009892977 [1,0,0,0,1,0|1,0,1]=4 1853 B10R1.37 CCCCOC1CCC1=O 34a_100000210227_100009892977 [1,0,0,0,1,0|1,0,1]=4 1854 B10R1.37 CCCCOC1CCC1=O 7a_100000210227_100009892977 [1,0,0,0,1,0|1,0,1]=4 1855 B10R1.37 CCCCSC1CCC1=O 62a_100000210211_100009892977 [1,0,0,0,1,0|1,0,1]=4 1856 B10R1.37 CCCCSC1CCC1=O 62a_100009892977_100000210210 [1,0,0,0,1,0|1,0,1]=4 1857 B10R1.37 CCNCCC1CCC1=O 2230a_100015525214_200016118888 [1,0,0,0,1,0|1,0,1]=4 1858 B10R1.37 CCSCCC1CCC1=O 62a_100000210202_200016118888 [1,0,0,0,1,0|1,0,1]=4 1859 B10R1.37 CCSCCC1CCC1=O 62a_200016118888_100000210202 [1,0,0,0,1,0|1,0,1]=4 1860 B12R1.1631 CCCCc1c(nc[nH]c1=O)C 271570a_100020621405_100011356812 [1,0,0,0,0,1|1,0,1]=4