0 B11R0.46 CCCCCC(=O)CCC(=O)O 1P00EGEK [0,0,0,0,0,0|1,0,1]=2 1 B11R0.46 CCCCCC(=O)NCC(=O)O 1P006Y4A [0,0,0,0,0,0|2,0,1]=3 2 B11R0.46 CCCCCC(CCC(=O)O)C 1P003M8Y [0,0,0,0,0,0|0,0,0]=0 3 B11R0.46 CCCCCN(CCC(=O)O)C 1P00IBI1 [0,0,0,0,0,0|1,0,0]=1 4 B11R0.46 CCCCOC(=O)CCC(=O)C 1P002AEJ [0,0,0,0,0,0|3,0,1]=4 5 B11R0.46 COCCOC(=O)CCC(=O)O 1P00FVJN [0,0,0,0,0,0|3,0,1]=4 6 B11R0.46 OCCCCC(=O)NCC(=O)O 1P0285DS [0,0,0,0,0,0|3,0,1]=4 7 B10R0.4 BrCCCCCCCC(=O)O 1P0025H0 [1,0,0,0,0,0|1,0,0]=2 8 B10R0.4 BrCCOCCOCC(=O)O 1P01V4PL [1,0,0,0,0,0|3,0,0]=4 9 B10R0.4 C#CCCCCCCC(=O)O 1P00328C [1,0,0,0,0,0|0,0,2]=3 10 B10R0.4 C=CCCCCCCC(=O)O 1P0035VG [1,0,0,0,0,0|0,0,2]=3 11 B10R0.4 CCCCCCC=CC(=O)O 1P0033VR [1,0,0,0,0,0|0,0,2]=3 12 B10R0.4 CCCCCCCCB(O)O 1P003BIM [1,0,0,0,0,0|1,0,1]=3 13 B10R0.4 CCCCCCCCC(=O)C 1P00355G [1,0,0,0,0,0|1,0,0]=2 14 B10R0.4 CCCCCCCCC(=O)Cl 1P003TQU [1,0,0,0,0,0|1,0,0]=2 15 B10R0.4 CCCCCCCCC(=O)N 1P00846Q [1,0,0,0,0,0|1,0,0]=2 16 B10R0.4 CCCCCCCCC(=O)O 1P008436 [1,0,0,0,0,0|0,0,0]=1 17 B10R0.4 CCCCCCCCC(=O)[O-] 1P001CZ2 [1,0,0,0,0,0|0,0,1]=2 18 B10R0.4 CCCCCCCCC(C)C 1P00FBY0 [1,0,0,0,0,0|2,0,1]=4 19 B10R0.4 CCCCCCCCC(O)C 1P003HLV [1,0,0,0,0,0|1,0,1]=3 20 B10R0.4 CCCCCCCCN(C)C 1P0035S6 [1,0,0,0,0,0|3,0,0]=4 21 B10R0.4 CCCCCCCCS(=O)C 1P028UHO [1,0,0,0,0,0|2,0,0]=3 22 B10R0.4 CCCCCCCOC(=O)C 1P003RBQ [1,0,0,0,0,0|2,0,0]=3 23 B10R0.4 CCCCCCCOC(=O)Cl 1P003RBR [1,0,0,0,0,0|2,0,0]=3 24 B10R0.4 CCCCCCCOC(=O)N 1P01BVVT [1,0,0,0,0,0|2,0,0]=3 25 B10R0.4 CCCCCCOCC(=O)O 1P00EDND [1,0,0,0,0,0|1,0,0]=2 26 B10R0.4 CCCCCC\C=C\C(=O)C 1P003JTL [1,0,0,0,0,0|1,0,2]=4 27 B10R0.4 CCCCCNCCC(=O)O 1P028U7J [1,0,0,0,0,0|1,0,0]=2 28 B10R0.4 CCCCC\C=C\CC(=O)O 1P003KAT [1,0,0,0,0,0|0,0,2]=3 29 B10R0.4 CCCCOCCOC(=O)C 1P003HA8 [1,0,0,0,0,0|3,0,0]=4 30 B10R0.4 CCOCCCCCC(=O)O 1P01BS9O [1,0,0,0,0,0|1,0,0]=2 31 B10R0.4 CCOCCOCCC(=O)O 1P00HUYT [1,0,0,0,0,0|2,0,0]=3 32 B10R0.4 CNCCCCCCC(=O)O 1P006J34 [1,0,0,0,0,0|1,0,0]=2 33 B10R0.4 COCCCOCCC(=O)O 1P01B5G2 [1,0,0,0,0,0|2,0,0]=3 34 B10R0.4 COCCOCCCC(=O)C 1P0285MG [1,0,0,0,0,0|3,0,0]=4 35 B10R0.4 COCCOCCCC(=O)O 1P019X8R [1,0,0,0,0,0|2,0,0]=3 36 B10R0.4 CSCCCCCCC(=O)O 1P007BNP [1,0,0,0,0,0|1,0,0]=2 37 B10R0.4 ClCCCCCCCC(=O)O 1P027KB7 [1,0,0,0,0,0|1,0,0]=2 38 B10R0.4 ClCCCCCCOC(=O)C 1P00CN8A [1,0,0,0,0,0|3,0,0]=4 39 B10R0.4 ClCCOCCOCC(=O)O 1P01DYRH [1,0,0,0,0,0|3,0,0]=4 40 B10R0.4 NCCCCCCCC(=O)O 1P0001OY [1,0,0,0,0,0|1,0,0]=2 41 B10R0.4 NCCCCCCCC(=O)O 1P00BLJO [1,0,0,0,0,0|1,0,0]=2 42 B10R0.4 NCCCCCCNC(=O)C 1P00E415 [1,0,0,0,0,0|3,0,0]=4 43 B10R0.4 NCCCCCCNC(=O)O 1P006XFU [1,0,0,0,0,0|2,0,0]=3 44 B10R0.4 NCCCCCCOC(=O)C 1P0280XS [1,0,0,0,0,0|3,0,0]=4 45 B10R0.4 NCCCCCCSC(=O)C 1P01ADJ3 [1,0,0,0,0,0|3,0,0]=4 46 B10R0.4 NCCCNCCCC(=O)O 1P01B8A0 [1,0,0,0,0,0|2,0,0]=3 47 B10R0.4 NCCCOCCCC(=O)O 1P028RTF [1,0,0,0,0,0|2,0,0]=3 48 B10R0.4 NCCOCCOCC(=O)O 1P0038RB [1,0,0,0,0,0|3,0,0]=4 49 B10R0.4 NCCOCCOCC(=O)O 1P00807O [1,0,0,0,0,0|3,0,0]=4 50 B10R0.4 O=CCCCCCCC(=O)O 1P006807 [1,0,0,0,0,0|1,0,1]=3 51 B10R0.4 OCCCCCCCC(=O)C 1P00BUQ9 [1,0,0,0,0,0|2,0,0]=3 52 B10R0.4 OCCCCCCCC(=O)O 1P005Y9C [1,0,0,0,0,0|1,0,0]=2 53 B10R0.4 OCCCOCCCC(=O)[O-] 1P028RJV [1,0,0,0,0,0|2,0,1]=4 54 B10R0.4 OCCOCCCCC(=O)[O-] 1P028AJ2 [1,0,0,0,0,0|2,0,1]=4 55 B10R0.4 OCCOCCOCC(=O)O 1P003B9Z [1,0,0,0,0,0|3,0,0]=4 56 B10R0.4 [N-]=[N+]=NCCCCCC(=O)O 1P00G3TM [1,0,0,0,0,0|3,0,0]=4 57 B10R0.78 CCCCC(=CCC(=O)O)C 1P028FDC [1,0,0,0,0,0|0,0,2]=3 58 B10R0.78 CCCCC(=O)CCC(=O)O 1P00DGJZ [1,0,0,0,0,0|1,0,1]=3 59 B10R0.78 CCCCC(=O)NCC(=O)O 1P003SO6 [1,0,0,0,0,0|2,0,1]=4 60 B10R0.78 CCCCC(CCC(=O)C)C 1P02885F [1,0,0,0,0,0|1,0,0]=2 61 B10R0.78 CCCCC(CCC(=O)O)C 1P003M8Z [1,0,0,0,0,0|0,0,0]=1 62 B10R0.78 CCCCC(CCC(=O)O)O 1P008OUG [1,0,0,0,0,0|1,0,0]=2 63 B10R0.78 CCCNC(=O)CCC(=O)O 1P01AAZO [1,0,0,0,0,0|2,0,1]=4 64 B10R0.78 COCCN(CCC(=O)O)C 1P00GWAG [1,0,0,0,0,0|2,0,0]=3 65 B10R0.91 CCCCCC(CCC#C)O 1P01XFJC [1,0,0,0,0,0|2,0,1]=4 66 B10R0.91 CCCCCC(\C=C\C=O)O 1P000Z5S [1,0,0,0,0,0|1,0,2]=4 67 B10R0.91 CCCCCN(CCC#N)C 1P01B6Y5 [1,0,0,0,0,0|2,0,1]=4 68 B10R0.91 CCCCCN(CCCN)C 1P028V0V [1,0,0,0,0,0|2,0,1]=4 69 B10R0.91 CCCCNC(CCCC)C 1P01ANAY [1,0,0,0,0,0|2,0,1]=4 70 B12R0.124 CCCCCN(CCC(=O)O)CC 1P028HXL [0,1,0,0,0,0|1,0,0]=2 71 B12R0.142 CCCCCC(CNC(=S)NN)C 1P019I1J [0,1,0,0,0,0|2,1,0]=4 72 B12R0.142 CCCCCN(CCC(=O)OC)C 1P00FDDM [0,1,0,0,0,0|1,0,0]=2 73 B12R0.255 CCCCCCC(=O)CCC(=O)O 1P00CZHC [0,1,0,0,0,0|1,0,1]=3 74 B12R0.255 CCCCCCC(CCC(=O)[O-])O 1P019TL7 [0,1,0,0,0,0|1,0,1]=3 75 B12R0.255 COCCCCN(CCC(=O)O)C 1P01FKHZ [0,1,0,0,0,0|1,0,0]=2 76 B12R0.255 COCCCNC(=O)CCC(=O)O 1P01BDIS [0,1,0,0,0,0|2,0,1]=4 77 B12R0.255 OCCCCOC(=O)CCC(=O)O 1P00DZ4S [0,1,0,0,0,0|2,0,1]=4 78 B12R0.255 OCCOCCN(CCC(=O)O)C 1P028XN0 [0,1,0,0,0,0|2,0,0]=3 79 B12R1.1 CCCCCC1CCC(=O)CC1 1P003ME4 [0,0,0,1,0,0|1,0,0]=2 80 B12R1.1 CCCCCC1CCC(CC1)O 1P003L8Y [0,0,0,1,0,0|1,0,1]=3 81 B12R1.1 CCCCC[C@@H]1CC[C@H](CC1)O 1P003VEF [0,0,0,1,0,0|1,0,1]=3 82 B12R1.1 COCCCN1CCC(=O)CC1 1P001Y14 [0,0,0,1,0,0|3,0,0]=4 83 B12R1.54 O=C(C1CCCC1)NCC(=O)O 1P019N5L [0,0,0,1,0,0|2,0,1]=4 84 B12R1.54 O=C(N1CCCC1)CCC(=O)O 1P006GBL [0,0,0,1,0,0|2,0,1]=4 85 B12R1.210 OC(=O)CC1CCCCNC1=O 1P01B8DJ [0,0,0,1,0,0|2,0,1]=4 86 B12R1.210 OC(=O)CN1CCCCCC1=O 1P00C8T6 [0,0,0,1,0,0|2,0,1]=4 87 B12R1.226 CC1CCCC(C1)OCC(=O)O 1P018SP4 [0,0,0,1,0,0|1,0,0]=2 88 B12R1.226 CC1CCCN(C1)CCC(=O)O 1P004OOT [0,0,0,1,0,0|1,0,0]=2 89 B12R1.226 CN1CCCC(C1)CCC(=O)O 1P00J20L [0,0,0,1,0,0|1,0,0]=2 90 B12R1.226 NC1CCCC(C1)CCC(=O)O 1P028VX3 [0,0,0,1,0,0|1,0,0]=2 91 B12R1.226 NC1CCCN(C1)CCC(=O)O 1P0285WL [0,0,0,1,0,0|2,0,0]=3 92 B12R1.226 N[C@H]1CCC[C@H](C1)COC(=O)C 1P01DZGR [0,0,0,1,0,0|3,0,0]=4 93 B12R1.226 OC(=O)CCC1CCCC(=O)N1 1P028NPF [0,0,0,1,0,0|2,0,1]=4 94 B12R1.226 OC(=O)CCC1CCNC(=O)C1 1P028VRI [0,0,0,1,0,0|2,0,1]=4 95 B12R1.226 OC1CCCC(C1)CCC(=O)O 1P0291FT [0,0,0,1,0,0|1,0,0]=2 96 B12R1.226 O[C@@H]1CCC[C@@H](C1)CCC(=O)O 1P028ETC [0,0,0,1,0,0|1,0,0]=2 97 B12R1.528 CCCCNC1CCS(=O)(=O)C1 1P00G4DO [0,0,0,1,0,0|2,0,1]=4 98 B12R1.1009 CC1CCCC(N1CC(=O)O)C 1P00G3I2 [0,0,0,1,0,0|1,0,0]=2 99 B12R1.1343 OC(=O)CCC1CCCCCC1 1P01B2ZW [0,0,0,1,0,0|0,0,0]=1 100 B12R1.1343 OC(=O)CCC1CCCCNC1 1P0282TN [0,0,0,1,0,0|1,0,0]=2 101 B12R1.1343 OC(=O)CCN1CCCCCC1 1P008R0S [0,0,0,1,0,0|1,0,0]=2 102 B12R1.1343 OC(=O)CCN1CCCCCC1 1P00J20T [0,0,0,1,0,0|1,0,0]=2 103 B12R1.1343 OC(=O)CCN1CSCCSC1 1P01B7WQ [0,0,0,1,0,0|3,0,0]=4 104 B12R1.1343 OC(=O)CNC1=NCCCCC1 1P00IGHZ [0,0,0,1,0,0|2,0,1]=4 105 B12R1.1343 OC(=O)COC1CCCCCC1 1P01C9TG [0,0,0,1,0,0|1,0,0]=2 106 B12R1.3110 OC(=O)C=CC1(C)CCOCC1 1P01AUWW [0,0,0,1,0,0|1,0,2]=4 107 B12R1.3110 OC(=O)CCC1(N)CCCCC1 1P01ELV3 [0,0,0,1,0,0|1,0,0]=2 108 B12R1.3110 OC(=O)CCC1(N)CCOCC1 1P01FIVV [0,0,0,1,0,0|2,0,0]=3 109 B12R1.3110 OC(=O)COC1(C)CCNCC1 1P027W1P [0,0,0,1,0,0|2,0,0]=3 110 B12R1.3110 OC(=O)COC1(C)CCOCC1 1P01EL4H [0,0,0,1,0,0|2,0,0]=3 111 B10R0.6 CCCCCC(CC(=O)C)C 1P00FHYK [0,0,0,0,1,0|1,0,0]=2 112 B10R0.6 CCCCCC(CC(=O)O)C 1P00EBFF [0,0,0,0,1,0|0,0,0]=1 113 B10R0.6 CCCCCC(CC(=O)O)O 1P009ARC [0,0,0,0,1,0|1,0,0]=2 114 B10R0.6 CCCCC[C@@H](CC(=O)O)O 1P00IY3K [0,0,0,0,1,0|1,0,0]=2 115 B10R0.6 CCCCC[C@H](CC(=O)O)O 1P0070VP [0,0,0,0,1,0|1,0,0]=2 116 B10R0.6 CCCCNC(CC(=O)O)C 1P01G3HX [0,0,0,0,1,0|1,0,0]=2 117 B10R0.6 NCCCC[C@@H](CC(=O)O)N 1P00BJ9V [0,0,0,0,1,0|2,0,0]=3 118 B12R0.233 CCCCCC(=O)CCCC(=O)O 1P0037PQ [0,0,0,0,0,1|1,0,1]=3 119 B12R0.233 CCCCCC(CCCC(=O)[O-])O 1P003N98 [0,0,0,0,0,1|1,0,1]=3 120 B9R0.2 BrCCCCCCC(=O)C 1P01IQK0 [2,0,0,0,0,0|2,0,0]=4 121 B9R0.2 BrCCCCCCC(=O)O 1P0030VL [2,0,0,0,0,0|1,0,0]=3 122 B9R0.2 C#CCCCCCC(=O)O 1P0086N4 [2,0,0,0,0,0|0,0,2]=4 123 B9R0.2 C=CCCCCCC(=O)O 1P003TWM [2,0,0,0,0,0|0,0,2]=4 124 B9R0.2 CCCCC#CCC(=O)O 1P0202F5 [2,0,0,0,0,0|0,0,2]=4 125 B9R0.2 CCCCCC#CC(=O)O 1P003IAH [2,0,0,0,0,0|0,0,2]=4 126 B9R0.2 CCCCCCCB(O)O 1P00BEA2 [2,0,0,0,0,0|1,0,1]=4 127 B9R0.2 CCCCCCCC(=O)N 1P003TQ1 [2,0,0,0,0,0|1,0,0]=3 128 B9R0.2 CCCCCCCC(=O)O 1P000LTK [2,0,0,0,0,0|0,0,0]=2 129 B9R0.2 CCCCCCCC(=O)O 1P0084UG [2,0,0,0,0,0|0,0,0]=2 130 B9R0.2 CCCCCCCC(=O)O 1P00C261 [2,0,0,0,0,0|0,0,0]=2 131 B9R0.2 CCCCCCCC(=O)[O-] 1P002BYU [2,0,0,0,0,0|0,0,1]=3 132 B9R0.2 CCCCCCCC(=S)O 1P005MUY [2,0,0,0,0,0|0,1,0]=3 133 B9R0.2 CCCCCCCC(O)C 1P003TQR [2,0,0,0,0,0|1,0,1]=4 134 B9R0.2 CCCCCCC[13C](=O)O 1P00EB19 [2,0,0,0,0,0|0,0,0]=2 135 B9R0.2 CCCCCCOC(=O)C 1P001HZT [2,0,0,0,0,0|2,0,0]=4 136 B9R0.2 CCCCCCOC(=O)Cl 1P003RDX [2,0,0,0,0,0|2,0,0]=4 137 B9R0.2 CCCCCCOC(=O)N 1P002LSP [2,0,0,0,0,0|2,0,0]=4 138 B9R0.2 CCCCCOCC(=O)O 1P01A8CF [2,0,0,0,0,0|1,0,0]=3 139 B9R0.2 CCCCC\C=C\C(=O)O 1P003VDD [2,0,0,0,0,0|0,0,2]=4 140 B9R0.2 CCCCOCCC(=O)O 1P00FNFX [2,0,0,0,0,0|1,0,0]=3 141 B9R0.2 CCCCSCCC(=O)O 1P00C2MV [2,0,0,0,0,0|1,0,0]=3 142 B9R0.2 CCCOCCCC(=O)O 1P028OX8 [2,0,0,0,0,0|1,0,0]=3 143 B9R0.2 CCC\C=C/CCC(=O)O 1P007SQR [2,0,0,0,0,0|0,0,2]=4 144 B9R0.2 CCNCCCCC(=O)O 1P01BKR1 [2,0,0,0,0,0|1,0,0]=3 145 B9R0.2 CCOCCCCC(=O)O 1P024HT6 [2,0,0,0,0,0|1,0,0]=3 146 B9R0.2 CCOCCOCC(=O)O 1P0053WB [2,0,0,0,0,0|2,0,0]=4 147 B9R0.2 CNCCCCCC(=O)O 1P0016VD [2,0,0,0,0,0|1,0,0]=3 148 B9R0.2 COCCCCCC(=O)O 1P00C9GI [2,0,0,0,0,0|1,0,0]=3 149 B9R0.2 COCCNCCC(=O)O 1P01AH75 [2,0,0,0,0,0|2,0,0]=4 150 B9R0.2 COCCNCCC(=O)O 1P028TR2 [2,0,0,0,0,0|2,0,0]=4 151 B9R0.2 COCCOCCC(=O)O 1P001MAZ [2,0,0,0,0,0|2,0,0]=4 152 B9R0.2 CSCCCCCC(=O)O 1P01IG8G [2,0,0,0,0,0|1,0,0]=3 153 B9R0.2 C\C=C\CCCCC(=O)O 1P00LTUI [2,0,0,0,0,0|0,0,2]=4 154 B9R0.2 ClCCCSCCC(=O)O 1P01BH4X [2,0,0,0,0,0|2,0,0]=4 155 B9R0.2 N#CCCCCCC(=O)O 1P01BBNY [2,0,0,0,0,0|1,0,1]=4 156 B9R0.2 NCCCCCCC(=O)C 1P01C3V1 [2,0,0,0,0,0|2,0,0]=4 157 B9R0.2 NCCCCCCC(=O)O 1P003NTK [2,0,0,0,0,0|1,0,0]=3 158 B9R0.2 NCCCCCCC(=O)O 1P003NTM [2,0,0,0,0,0|1,0,0]=3 159 B9R0.2 NCCCOCCC(=O)O 1P027U5J [2,0,0,0,0,0|2,0,0]=4 160 B9R0.2 NOCCCCCC(=O)O 1P01A44Q [2,0,0,0,0,0|2,0,0]=4 161 B9R0.2 OCCCCCCC(=O)N 1P01QB8W [2,0,0,0,0,0|2,0,0]=4 162 B9R0.2 OCCCCCCC(=O)O 1P0034V2 [2,0,0,0,0,0|1,0,0]=3 163 B9R0.2 OCCCCNCC(=O)O 1P00I01L [2,0,0,0,0,0|2,0,0]=4 164 B9R0.2 OCCCNCCC(=O)O 1P0284KH [2,0,0,0,0,0|2,0,0]=4 165 B9R0.2 OCCNCCCC(=O)O 1P01DXNP [2,0,0,0,0,0|2,0,0]=4 166 B9R0.2 SCCCCCCC(=O)O 1P00E2S1 [2,0,0,0,0,0|1,0,0]=3 167 B9R0.45 BrCCCCCCCC=C 1P0036Q8 [2,0,0,0,0,0|2,0,0]=4 168 B9R0.45 CCCCCCCCC#C 1P003EQC [2,0,0,0,0,0|1,0,1]=4 169 B9R0.45 CCCCCCCCC#N 1P003TQ4 [2,0,0,0,0,0|1,0,1]=4 170 B9R0.45 CCCCCCCCC=C 1P003EQB [2,0,0,0,0,0|1,0,0]=3 171 B9R0.45 CCCCCCCCC=O 1P000LU5 [2,0,0,0,0,0|0,0,0]=2 172 B9R0.45 CCCCCCCCCBr 1P00336X [2,0,0,0,0,0|1,0,1]=4 173 B9R0.45 CCCCCCCCCC 1P000LU6 [2,0,0,0,0,0|1,0,1]=4 174 B9R0.45 CCCCCCCCCCl 1P002PQE [2,0,0,0,0,0|1,0,1]=4 175 B9R0.45 CCCCCCCCCI 1P003EWH [2,0,0,0,0,0|1,0,1]=4 176 B9R0.45 CCCCCCCCCN 1P003TQZ [2,0,0,0,0,0|1,0,1]=4 177 B9R0.45 CCCCCCCCCO 1P003F1B [2,0,0,0,0,0|0,0,1]=3 178 B9R0.45 CCCCCCCCNC 1P003TOZ [2,0,0,0,0,0|2,0,0]=4 179 B9R0.45 CCCCCCCC[Mg]Br 1P003TQ9 [2,0,0,0,0,0|2,0,0]=4 180 B9R0.45 CCCCCCCNC=O 1P00F2XX [2,0,0,0,0,0|1,0,0]=3 181 B9R0.45 CCCCCCNCCO 1P00DHAH [2,0,0,0,0,0|1,0,1]=4 182 B9R0.45 CCCCCCOCCO 1P009Q2T [2,0,0,0,0,0|1,0,1]=4 183 B9R0.45 CCCCCC\C=C\C=O 1P002H9P [2,0,0,0,0,0|0,0,2]=4 184 B9R0.45 CCCCCNCCC=C 1P028LV9 [2,0,0,0,0,0|2,0,0]=4 185 B9R0.45 CCCCNCCCCO 1P003KQG [2,0,0,0,0,0|1,0,1]=4 186 B9R0.45 CCCCOCCCCO 1P0038BC [2,0,0,0,0,0|1,0,1]=4 187 B9R0.45 CCCC\C=C/CCC=O 1P00BH3T [2,0,0,0,0,0|0,0,2]=4 188 B9R0.45 CNCCCCCCCO 1P027UT7 [2,0,0,0,0,0|1,0,1]=4 189 B9R0.45 ClCCCCCCCC=C 1P004S8L [2,0,0,0,0,0|2,0,0]=4 190 B9R0.45 NCCCCCCCC=C 1P01BCF4 [2,0,0,0,0,0|2,0,0]=4 191 B9R0.45 NCCCCCCCCO 1P002ESB [2,0,0,0,0,0|1,0,1]=4 192 B9R0.45 NCCCCCCCCO 1P028H2N [2,0,0,0,0,0|1,0,1]=4 193 B9R0.45 O=CCCCCCCC=O 1P00EKHU [2,0,0,0,0,0|1,0,1]=4 194 B9R0.45 O=CCCCC\C=C/CC 1P003PGB [2,0,0,0,0,0|0,0,2]=4 195 B9R0.45 O=CCCCC\C=C\CC 1P00BVNX [2,0,0,0,0,0|0,0,2]=4 196 B9R0.45 OCCCCCCCC=C 1P000UT0 [2,0,0,0,0,0|2,0,0]=4 197 B9R0.45 OCCCCCCCC=O 1P007QFH [2,0,0,0,0,0|1,0,0]=3 198 B9R0.45 OCCCCCCCCBr 1P0034VD [2,0,0,0,0,0|1,0,1]=4 199 B9R0.45 OCCCCCCCCCl 1P002MSB [2,0,0,0,0,0|1,0,1]=4 200 B9R0.45 OCCCCCCCCO 1P003E90 [2,0,0,0,0,0|1,0,1]=4 201 B9R0.45 SCCCCCCCC=C 1P028TO2 [2,0,0,0,0,0|2,0,0]=4 202 B9R0.48 CC(CCC)COC(=O)Cl 1P01E4FP [2,0,0,0,0,0|2,0,0]=4 203 B9R0.48 CC(OCC)CCC(=O)O 1P024SFD [2,0,0,0,0,0|1,0,0]=3 204 B9R0.48 CCCC(=O)CCC(=O)O 1P0065J5 [2,0,0,0,0,0|1,0,1]=4 205 B9R0.48 CCCN(CCC(=O)O)C 1P01ABCF [2,0,0,0,0,0|1,0,0]=3 206 B9R0.48 COCC(NCC(=O)O)C 1P01ABIZ [2,0,0,0,0,0|2,0,0]=4 207 B9R0.48 OCCC(CCC(=O)[O-])C 1P0283LP [2,0,0,0,0,0|1,0,1]=4 208 B9R0.48 OCCN(CCC(=O)O)C 1P019UKV [2,0,0,0,0,0|2,0,0]=4 209 B9R0.5 CCCCCC(=CCO)C 1P028SJY [2,0,0,0,0,0|0,0,2]=4 210 B9R0.5 CCCCCC(CCC)C 1P003M8X [2,0,0,0,0,0|0,0,1]=3 211 B9R0.5 CCCCCC(CCC)O 1P003MDW [2,0,0,0,0,0|1,0,1]=4 212 B9R0.5 CCCCCC(CCO)O 1P002NOK [2,0,0,0,0,0|1,0,0]=3 213 B11R0.2 CCCCCCC(=O)CC(=O)O 1P00CZI6 [1,1,0,0,0,0|0,0,1]=3 214 B11R0.2 CCCCCCC(CC(=O)O)C 1P00C0MJ [1,1,0,0,0,0|0,0,0]=2 215 B11R0.2 CCCCCCC(CC(=O)O)O 1P00C7TP [1,1,0,0,0,0|0,0,0]=2 216 B11R0.2 CCCCCCC(OC(=O)C)C 1P002ABP [1,1,0,0,0,0|2,0,0]=4 217 B11R0.2 CCCCCCN(CC(=O)O)C 1P01ABZJ [1,1,0,0,0,0|1,0,0]=3 218 B11R0.30 CC(=O)CCCCCCC(=O)C 1P001WL3 [1,1,0,0,0,0|1,0,1]=4 219 B11R0.30 CC(=O)CCCCCCC(=O)O 1P00BVAV [1,1,0,0,0,0|0,0,1]=3 220 B11R0.30 CC(CCCCCCC(=O)O)N 1P028EBJ [1,1,0,0,0,0|0,0,0]=2 221 B11R0.30 CC(CCCCCCC(=O)O)O 1P008QC8 [1,1,0,0,0,0|0,0,0]=2 222 B11R0.30 CC(CCNCCCC(=O)O)C 1P01A3AI [1,1,0,0,0,0|1,0,0]=3 223 B11R0.30 OC(=O)CCCCCCC(=O)O 1P003634 [1,1,0,0,0,0|1,0,1]=4 224 B11R0.30 OC(=O)CCCCCNC(=O)C 1P00IAMS [1,1,0,0,0,0|1,0,1]=4 225 B11R0.30 OC(=O)CCCC\C=C\C(C)C 1P00EC2Y [1,1,0,0,0,0|0,0,2]=4 226 B11R0.40 BrCCCCCCCC(=O)CCl 1P028CR2 [1,1,0,0,0,0|2,0,0]=4 227 B11R0.40 BrCCCCCCCC(=O)OC 1P007N2N [1,1,0,0,0,0|1,0,0]=3 228 B11R0.40 CCCCCCC#CC(=O)OC 1P003S5M [1,1,0,0,0,0|0,0,2]=4 229 B11R0.40 CCCCCCCCC(=O)OC 1P001Z2N [1,1,0,0,0,0|0,0,0]=2 230 B11R0.40 CCCCCCCCC(C=O)C 1P00ACIS [1,1,0,0,0,0|1,0,1]=4 231 B11R0.40 CCCCCCCCC(CC)O 1P003KDR [1,1,0,0,0,0|1,0,1]=4 232 B11R0.40 CCCCCCCCC(CO)N 1P01BNU3 [1,1,0,0,0,0|1,0,1]=4 233 B11R0.40 CCCCCCCCC(CO)O 1P003DTV [1,1,0,0,0,0|0,0,2]=4 234 B11R0.40 CCCCCC\C=C\C(=O)OC 1P001M99 [1,1,0,0,0,0|0,0,2]=4 235 B11R0.40 CCCCC\C=C\CC(=O)OC 1P003R1M [1,1,0,0,0,0|0,0,2]=4 236 B11R0.40 N#CCCCCCCC(=O)OC 1P01DXP8 [1,1,0,0,0,0|1,0,1]=4 237 B11R0.40 NCCCCCCCC(=O)OC 1P008NEX [1,1,0,0,0,0|1,0,0]=3 238 B11R0.40 NCCCCCOCC(=O)OC 1P01JM3T [1,1,0,0,0,0|2,0,0]=4 239 B11R0.40 OCCCCCCCC(=O)OC 1P0028RG [1,1,0,0,0,0|1,0,0]=3 240 B11R0.42 C#CCCCCCC(C(=O)O)N 1P02857G [1,1,0,0,0,0|0,0,2]=4 241 B11R0.42 C=CCCCCCC(C(=O)O)N 1P009I7F [1,1,0,0,0,0|0,0,2]=4 242 B11R0.42 C=CCCCCC[C@@H](C(=O)O)N 1P006J1K [1,1,0,0,0,0|0,0,2]=4 243 B11R0.42 C=CCCCCC[C@@H](C(=O)O)N 1P01KLAB [1,1,0,0,0,0|0,0,2]=4 244 B11R0.42 C=CCCCCC[C@H](C(=O)O)N 1P01XCHA [1,1,0,0,0,0|0,0,2]=4 245 B11R0.42 CCCCCCCC(=O)C(=O)O 1P000WJX [1,1,0,0,0,0|0,0,1]=3 246 B11R0.42 CCCCCCCC(C(=O)O)F 1P027UBO [1,1,0,0,0,0|0,0,0]=2 247 B11R0.42 CCCCCCCC(C(=O)O)N 1P00IA6Q [1,1,0,0,0,0|0,0,0]=2 248 B11R0.42 CCCCCCC[C@@H](C(=O)O)N 1P009E2U [1,1,0,0,0,0|0,0,0]=2 249 B11R0.42 CCCCCCOC(C(=O)O)C 1P01C31N [1,1,0,0,0,0|1,0,0]=3 250 B11R0.42 CCOCCNCC(C(=O)O)C 1P01A9IG [1,1,0,0,0,0|2,0,0]=4 251 B11R0.111 CCC(CCCCCC(=O)O)C 1P00C0NG [1,1,0,0,0,0|0,0,0]=2 252 B11R0.111 CCC(COCCCC(=O)O)N 1P02904N [1,1,0,0,0,0|1,0,0]=3 253 B11R0.111 CCC(COCCCC(=O)O)N 1P0290E3 [1,1,0,0,0,0|1,0,0]=3 254 B11R0.111 COC(=O)CCCCCC(=O)O 1P0028ZO [1,1,0,0,0,0|1,0,1]=4 255 B11R0.147 CCCCC(=O)CCCC(=O)O 1P00D0CA [1,1,0,0,0,0|0,0,1]=3 256 B11R0.147 CCCCC(CCCC(=O)O)C 1P0251M7 [1,1,0,0,0,0|0,0,0]=2 257 B11R0.147 CCCNC(=O)CCCC(=O)O 1P01AB42 [1,1,0,0,0,0|1,0,1]=4 258 B11R0.148 BrCCCCCCCCC(=O)O 1P003O15 [1,1,0,0,0,0|0,0,0]=2 259 B11R0.148 BrCCOCCOCCC(=O)O 1P00I0NT [1,1,0,0,0,0|2,0,0]=4 260 B11R0.148 C#CCCCCCCCC(=O)O 1P001V6H [1,1,0,0,0,0|0,0,1]=3 261 B11R0.148 C=CCCCCCCCC(=O)O 1P001JVB [1,1,0,0,0,0|0,0,1]=3 262 B11R0.148 C=CCCOCCCCC(=O)O 1P01A563 [1,1,0,0,0,0|0,0,2]=4 263 B11R0.148 CCCC=CCCCCC(=O)O 1P004L6U [1,1,0,0,0,0|0,0,1]=3 264 B11R0.148 CCCCCC=CCCC(=O)O 1P002T4A [1,1,0,0,0,0|0,0,1]=3 265 B11R0.148 CCCCCCCC=CC(=O)O 1P00ABWS [1,1,0,0,0,0|0,0,1]=3 266 B11R0.148 CCCCCCCCCC(=O)C 1P003SI6 [1,1,0,0,0,0|1,0,0]=3 267 B11R0.148 CCCCCCCCCC(=O)Cl 1P008RJA [1,1,0,0,0,0|1,0,0]=3 268 B11R0.148 CCCCCCCCCC(=O)N 1P003PQ1 [1,1,0,0,0,0|1,0,0]=3 269 B11R0.148 CCCCCCCCCC(=O)O 1P0037TK [1,1,0,0,0,0|0,0,0]=2 270 B11R0.148 CCCCCCCCCC(=O)[O-] 1P0001OW [1,1,0,0,0,0|0,0,1]=3 271 B11R0.148 CCCCCCCCCC(O)C 1P001WJA [1,1,0,0,0,0|1,0,1]=4 272 B11R0.148 CCCCCCCCCN(=O)=O 1P00BJNL [1,1,0,0,0,0|1,0,1]=4 273 B11R0.148 CCCCCCCCNC(=O)C 1P01B9HX [1,1,0,0,0,0|1,0,0]=3 274 B11R0.148 CCCCCCCCNC(=O)N 1P003AUV [1,1,0,0,0,0|1,0,0]=3 275 B11R0.148 CCCCCCCCNC(=S)N 1P0011OT [1,1,0,0,0,0|1,1,0]=4 276 B11R0.148 CCCCCCCCOC(=O)C 1P003TXL [1,1,0,0,0,0|1,0,0]=3 277 B11R0.148 CCCCCCCCOC(=O)Cl 1P003PAH [1,1,0,0,0,0|1,0,0]=3 278 B11R0.148 CCCCCCCNCC(=O)O 1P01AH6G [1,1,0,0,0,0|0,0,0]=2 279 B11R0.148 CCCCCCC\C=C\C(=O)O 1P00366C [1,1,0,0,0,0|0,0,1]=3 280 B11R0.148 CCCCCC\C=C\CC(=O)O 1P003JTM [1,1,0,0,0,0|0,0,1]=3 281 B11R0.148 CCCCOCCOCC(=O)O 1P003C2Z [1,1,0,0,0,0|1,0,0]=3 282 B11R0.148 CCOCCOCCCC(=O)O 1P01B72A [1,1,0,0,0,0|1,0,0]=3 283 B11R0.148 CNCCCCCCCC(=O)O 1P01R00D [1,1,0,0,0,0|0,0,0]=2 284 B11R0.148 CNCCCNCCCC(=O)O 1P01A3W3 [1,1,0,0,0,0|1,0,0]=3 285 B11R0.148 COCCOCCOCC(=O)O 1P001S9H [1,1,0,0,0,0|2,0,0]=4 286 B11R0.148 CSCCCCCCCC(=O)O 1P0288NR [1,1,0,0,0,0|0,0,0]=2 287 B11R0.148 NCCCCCCCCC(=O)O 1P00846F [1,1,0,0,0,0|0,0,0]=2 288 B11R0.148 NCCOCCOCCC(=O)O 1P00G7BW [1,1,0,0,0,0|2,0,0]=4 289 B11R0.148 O=CCCCCCCCC(=O)O 1P00BIBM [1,1,0,0,0,0|0,0,1]=3 290 B11R0.148 OCCCCCCCCC(=O)O 1P0034VX [1,1,0,0,0,0|0,0,0]=2 291 B11R0.148 OCCOCCOCCC(=O)O 1P009X94 [1,1,0,0,0,0|2,0,0]=4 292 B11R0.148 SCCOCCOCCC(=O)O 1P00HVMA [1,1,0,0,0,0|2,0,0]=4 293 B11R0.148 [N-]=[N+]=NCCCCCCC(=O)O 1P009WAL [1,1,0,0,0,0|2,0,0]=4 294 B11R0.159 CCCCCCCCP(=O)(C)C 1P009HMH [1,1,0,0,0,0|2,0,0]=4 295 B11R0.159 CCCCCCCCP(=O)(O)O 1P00DEHI [1,1,0,0,0,0|1,0,0]=3 296 B11R0.159 CCCCCCCCS(=O)(=O)Cl 1P003F1L [1,1,0,0,0,0|1,0,1]=4 297 B11R0.159 CCCCCCCCS(=O)(=O)N 1P00F84P [1,1,0,0,0,0|1,0,1]=4 298 B11R0.159 CCCCCCCCS(=O)(=O)[O-] 1P002JLT [1,1,0,0,0,0|1,0,1]=4 299 B11R0.159 CCCCCCCCS(=O)(=O)[O-] 1P0033AG [1,1,0,0,0,0|1,0,1]=4 300 B11R0.176 CCCC(=O)OCCCC(=O)O 1P0030PI [1,1,0,0,0,0|1,0,1]=4 301 B11R0.176 CCCC(CCCCC(=O)O)N 1P0290XT [1,1,0,0,0,0|0,0,0]=2 302 B11R0.176 CCOC(=O)CCCCC(=O)O 1P003SM6 [1,1,0,0,0,0|1,0,1]=4 303 B11R0.176 OCCC(CCCCC(=O)O)O 1P01XD1H [1,1,0,0,0,0|1,0,0]=3 304 B11R0.176 SCCC(CCCCC(=O)O)S 1P00DEHD [1,1,0,0,0,0|1,0,0]=3 305 B11R0.59 CCCC(N(CCC(=O)O)C)C 1P027NK8 [1,1,0,0,0,0|1,0,0]=3 306 B11R0.93 COC(=O)C[C@@H](CCC(=O)O)C 1P028HYT [1,1,0,0,0,0|1,0,1]=4 307 B11R0.164 CCCCC(CCC(=O)O)CC 1P001VML [1,1,0,0,0,0|0,0,0]=2 308 B11R0.164 CCCCC(COC(=O)C)CC 1P003HOG [1,1,0,0,0,0|2,0,0]=4 309 B11R0.6 CC(CC(=O)O)CCC=C(C)C 1P003PH5 [0,1,0,0,1,0|0,0,2]=4 310 B11R0.6 CC(CCCC(CC(=O)O)C)C 1P00F2FX [0,1,0,0,1,0|0,0,0]=2 311 B11R0.6 CC(CCCC(CC(=O)O)O)C 1P01XCSH [0,1,0,0,1,0|1,0,0]=3 312 B11R0.6 C[C@@H](CC(=O)O)CCC=C(C)C 1P002E72 [0,1,0,0,1,0|0,0,2]=4 313 B11R0.107 CC(CC)CCC(CC(=O)O)O 1P003TXG [0,1,0,0,1,0|1,0,0]=3 314 B11R0.139 CC(C(=O)O)C(CCCCC)O 1P006AZ8 [0,1,0,0,1,0|1,0,0]=3 315 B11R0.324 CCCCCS(=O)(=O)CC(=O)O 1P01AAQC [0,1,0,0,1,0|2,0,0]=4 316 B13R0.1 CCCCCCC(=O)CCCC(=O)O 1P001V6Z [0,1,0,0,0,1|1,0,1]=4 317 B13R0.1 CCCCCCC(CCCC(=O)O)O 1P00BUSU [0,1,0,0,0,1|1,0,0]=3 318 B13R0.1398 CC(CC=CC(=O)C)CCCC(C)C 1P0010TW [0,1,0,0,0,1|1,0,1]=4 319 B13R0.1398 CC(CCCC(=O)C)CCCC(C)C 1P01PPIZ [0,1,0,0,0,1|1,0,0]=3 320 B13R0.1398 CC(CCCC(=O)O)CCCC(C)C 1P007CTI [0,1,0,0,0,1|0,0,0]=2 321 B13R0.1398 CC(CCC\C(=C\CCC(=O)C)\C)C 1P0027HS [0,1,0,0,0,1|1,0,1]=4 322 B13R0.346 CCCCCN(C(C)C)CCC(=O)O 1P028OKV [0,2,0,0,0,0|1,0,0]=3 323 B13R0.391 CCCCCN(CCC(=O)O)CCC 1P0290NF [0,2,0,0,0,0|1,0,0]=3 324 B13R0.193 CCCCCC(=O)CCC(=O)OCC 1P00CZI4 [0,2,0,0,0,0|1,0,1]=4 325 B13R0.154 CCCCCCCC(=O)CCC(=O)O 1P007PVL [0,2,0,0,0,0|1,0,1]=4 326 B13R0.154 CCCCCCCC(CCC(=O)[O-])O 1P019SOA [0,2,0,0,0,0|1,0,1]=4 327 B13R0.154 COCCOCCN(CCC(=O)O)C 1P01BVVJ [0,2,0,0,0,0|1,0,0]=3 328 B11R1.24 CCCCC1=CC(=O)CCC1 1P01FQMW [1,0,0,1,0,0|1,0,1]=4 329 B11R1.24 CCCCC1CCCC(=O)O1 1P00I6T9 [1,0,0,1,0,0|0,0,0]=2 330 B11R1.27 CCCCCC1CCC(=O)O1 1P00HAPV [1,0,0,1,0,0|0,0,0]=2 331 B11R1.27 CCCCCC1OC(=O)C=C1 1P00389N [1,0,0,1,0,0|0,0,2]=4 332 B11R1.27 CCCCSC1CCC(=O)O1 1P01IYAT [1,0,0,1,0,0|1,0,0]=3 333 B11R1.53 CCC1CCCCC1C(=O)O 1P01BHM7 [1,0,0,1,0,0|0,0,0]=2 334 B11R1.53 CCC1CCCCN1C(=O)Cl 1P029091 [1,0,0,1,0,0|2,0,0]=4 335 B11R1.53 CCC1CCCCN1C(=O)N 1P01A9BT [1,0,0,1,0,0|2,0,0]=4 336 B11R1.53 CCC1OCCCC1C(=O)O 1P01AGQI [1,0,0,1,0,0|1,0,0]=3 337 B11R1.53 CCN1CCCCC1C(=O)O 1P00709G [1,0,0,1,0,0|1,0,0]=3 338 B11R1.53 CCN1CCNCC1C(=O)O 1P028QG1 [1,0,0,1,0,0|2,0,0]=4 339 B11R1.53 CCN1CCOCC1C(=O)O 1P01A461 [1,0,0,1,0,0|2,0,0]=4 340 B11R1.53 CC[C@@H]1CCCN[C@@H]1C(=O)O 1P027VDM [1,0,0,1,0,0|1,0,0]=3 341 B11R1.53 CN[C@@H]1CCCC[C@@H]1C(=O)O 1P0293EP [1,0,0,1,0,0|1,0,0]=3 342 B11R1.53 COC1CCCCC1C(=O)O 1P01AVM7 [1,0,0,1,0,0|1,0,0]=3 343 B11R1.53 COC1CCCNC1C(=O)O 1P027VDX [1,0,0,1,0,0|2,0,0]=4 344 B11R1.53 COC1CCNCC1C(=O)O 1P028UKK [1,0,0,1,0,0|2,0,0]=4 345 B11R1.53 CO[C@@H]1CCCC[C@H]1C(=O)O 1P02932J [1,0,0,1,0,0|1,0,0]=3 346 B11R1.53 CO[C@@H]1CNCC[C@@H]1C(=O)O 1P0293MO [1,0,0,1,0,0|2,0,0]=4 347 B11R1.57 CCN1CCCC1CC(=O)O 1P01A23F [1,0,0,1,0,0|1,0,0]=3 348 B11R1.57 OCC1CCCN1CC(=O)O 1P01AK79 [1,0,0,1,0,0|2,0,0]=4 349 B11R1.57 OCC1CCCN1CC(=O)O 1P028UIO [1,0,0,1,0,0|2,0,0]=4 350 B11R1.86 CC(=O)CC1CCCCN1C 1P007SE6 [1,0,0,1,0,0|2,0,0]=4 351 B11R1.86 CC(=O)CN1CCCCC1C 1P002PCG [1,0,0,1,0,0|2,0,0]=4 352 B11R1.86 CC(=O)OC1CCCCC1C 1P00IANZ [1,0,0,1,0,0|2,0,0]=4 353 B11R1.86 CC1CCNCC1CC(=O)O 1P01B60Z [1,0,0,1,0,0|1,0,0]=3 354 B11R1.86 CC1NCCCC1CC(=O)O 1P01C1OU [1,0,0,1,0,0|1,0,0]=3 355 B11R1.86 CN1CCOCC1CC(=O)O 1P01FKMQ [1,0,0,1,0,0|2,0,0]=4 356 B11R1.86 NC(=O)NC1CCCCC1C 1P019K2G [1,0,0,1,0,0|2,0,0]=4 357 B11R1.86 NC1CCOCC1CC(=O)O 1P01EM0V [1,0,0,1,0,0|2,0,0]=4 358 B11R1.86 OC(=O)CC1CCCCC1C 1P019Y4Q [1,0,0,1,0,0|0,0,0]=2 359 B11R1.86 OC(=O)CC1CCCCC1F 1P01B9FH [1,0,0,1,0,0|1,0,0]=3 360 B11R1.86 OC(=O)CC1CCCCN1C 1P01BE04 [1,0,0,1,0,0|1,0,0]=3 361 B11R1.86 OC(=O)CC1CCNCC1C 1P023Q2L [1,0,0,1,0,0|1,0,0]=3 362 B11R1.86 OC(=O)CN1CCCCC1C 1P0051F6 [1,0,0,1,0,0|1,0,0]=3 363 B11R1.86 OC(=O)CN1CCNC[C@@H]1C 1P01JVF9 [1,0,0,1,0,0|2,0,0]=4 364 B11R1.86 OC(=O)C[C@H]1CCCC[C@@H]1O 1P024KMN [1,0,0,1,0,0|1,0,0]=3 365 B11R1.90 OC(=O)CCC1CCCN1C 1P01B646 [1,0,0,1,0,0|1,0,0]=3 366 B11R1.91 CC(=O)CCC1CCCCC1 1P00BPDU [1,0,0,1,0,0|1,0,0]=3 367 B11R1.91 CC(=O)CCN1CCCCC1 1P001X4F [1,0,0,1,0,0|2,0,0]=4 368 B11R1.91 CC(=O)CCN1CCCCC1 1P01B8SZ [1,0,0,1,0,0|2,0,0]=4 369 B11R1.91 CC(=O)OCC1CCCCC1 1P003PMC [1,0,0,1,0,0|2,0,0]=4 370 B11R1.91 CC(CCC1CCCCC1)O 1P0098ED [1,0,0,1,0,0|1,0,1]=4 371 B11R1.91 ClC(=O)CCC1CCCCC1 1P00BYCR [1,0,0,1,0,0|1,0,0]=3 372 B11R1.91 ClC(=O)OCC1CCCCC1 1P00ESH9 [1,0,0,1,0,0|2,0,0]=4 373 B11R1.91 NC(=O)CCC1CCCCC1 1P00DSKG [1,0,0,1,0,0|1,0,0]=3 374 B11R1.91 NC(=O)CCC1CCCNC1 1P00J20N [1,0,0,1,0,0|2,0,0]=4 375 B11R1.91 NC(=O)CCC1CCCNC1 1P01AA4U [1,0,0,1,0,0|2,0,0]=4 376 B11R1.91 NC(=O)CCC1CCNCC1 1P0095GP [1,0,0,1,0,0|2,0,0]=4 377 B11R1.91 NC(=O)CCC1CCNCC1 1P00GU4J [1,0,0,1,0,0|2,0,0]=4 378 B11R1.91 NC(=O)NCC1CCCCC1 1P01AHKE [1,0,0,1,0,0|2,0,0]=4 379 B11R1.91 OC(=O)C#CC1CCCCC1 1P00DIG2 [1,0,0,1,0,0|0,0,2]=4 380 B11R1.91 OC(=O)CCC1=CCCCC1 1P01KY6Z [1,0,0,1,0,0|0,0,2]=4 381 B11R1.91 OC(=O)CCC1CCCCC1 1P003547 [1,0,0,1,0,0|0,0,0]=2 382 B11R1.91 OC(=O)CCC1CCCCN1 1P00C803 [1,0,0,1,0,0|1,0,0]=3 383 B11R1.91 OC(=O)CCC1CCCCN1 1P00IKQ2 [1,0,0,1,0,0|1,0,0]=3 384 B11R1.91 OC(=O)CCC1CCCCO1 1P018SPQ [1,0,0,1,0,0|1,0,0]=3 385 B11R1.91 OC(=O)CCC1CCCNC1 1P00FD1F [1,0,0,1,0,0|1,0,0]=3 386 B11R1.91 OC(=O)CCC1CCCOC1 1P019UD5 [1,0,0,1,0,0|1,0,0]=3 387 B11R1.91 OC(=O)CCC1CCNCC1 1P0023Y3 [1,0,0,1,0,0|1,0,0]=3 388 B11R1.91 OC(=O)CCC1CCNCC1 1P00DIF3 [1,0,0,1,0,0|1,0,0]=3 389 B11R1.91 OC(=O)CCC1CCOCC1 1P0077FN [1,0,0,1,0,0|1,0,0]=3 390 B11R1.91 OC(=O)CCC1CCOCO1 1P028Z9D [1,0,0,1,0,0|2,0,0]=4 391 B11R1.91 OC(=O)CCC1CNCCO1 1P01JLZ1 [1,0,0,1,0,0|2,0,0]=4 392 B11R1.91 OC(=O)CCC1CNCCO1 1P021YEF [1,0,0,1,0,0|2,0,0]=4 393 B11R1.91 OC(=O)CCN1CCCCC1 1P001FQ4 [1,0,0,1,0,0|1,0,0]=3 394 B11R1.91 OC(=O)CCN1CCCCC1 1P002TE3 [1,0,0,1,0,0|1,0,0]=3 395 B11R1.91 OC(=O)CCN1CCCCO1 1P00912M [1,0,0,1,0,0|2,0,0]=4 396 B11R1.91 OC(=O)CCN1CCNCC1 1P003IQL [1,0,0,1,0,0|2,0,0]=4 397 B11R1.91 OC(=O)CCN1CCNCC1 1P00VTKM [1,0,0,1,0,0|2,0,0]=4 398 B11R1.91 OC(=O)CCN1CCOCC1 1P00D9TL [1,0,0,1,0,0|2,0,0]=4 399 B11R1.91 OC(=O)CCN1CCOCC1 1P00EAJ9 [1,0,0,1,0,0|2,0,0]=4 400 B11R1.91 OC(=O)CC[C@@H]1CCCNC1 1P024UWV [1,0,0,1,0,0|1,0,0]=3 401 B11R1.91 OC(=O)CC[C@@H]1CNCCO1 1P01JUSI [1,0,0,1,0,0|2,0,0]=4 402 B11R1.91 OC(=O)CC[C@H]1CCCNC1 1P024V3I [1,0,0,1,0,0|1,0,0]=3 403 B11R1.91 OC(=O)CC[C@H]1CNCCO1 1P01JUWT [1,0,0,1,0,0|2,0,0]=4 404 B11R1.91 OC(=O)CNC1CCCCC1 1P00EL9R [1,0,0,1,0,0|1,0,0]=3 405 B11R1.91 OC(=O)CNC1CCNCC1 1P01ACDA [1,0,0,1,0,0|2,0,0]=4 406 B11R1.91 OC(=O)CNC1CCOCC1 1P01JMJB [1,0,0,1,0,0|2,0,0]=4 407 B11R1.91 OC(=O)COC1CCCCC1 1P003FHI [1,0,0,1,0,0|1,0,0]=3 408 B11R1.91 OC(=O)COC1CCCOC1 1P01DW44 [1,0,0,1,0,0|2,0,0]=4 409 B11R1.91 OC(=O)COC1CCNCC1 1P0092RH [1,0,0,1,0,0|2,0,0]=4 410 B11R1.91 OC(=O)COC1CCOCC1 1P001S9W [1,0,0,1,0,0|2,0,0]=4 411 B11R1.91 OC(=O)CSC1CCCCO1 1P000O70 [1,0,0,1,0,0|2,0,0]=4 412 B11R1.91 OC(=O)CSC1CCNCC1 1P027ZR8 [1,0,0,1,0,0|2,0,0]=4 413 B11R1.91 OC(=O)\C=C\C1CCCCC1 1P00EG02 [1,0,0,1,0,0|0,0,2]=4 414 B11R1.99 CCCCCCCCC1CO1 1P003DVQ [1,0,0,1,0,0|1,0,1]=4 415 B11R1.101 O=C1CCCCCCCCC1 1P001MVM [1,0,0,1,0,0|1,0,0]=3 416 B11R1.101 O=C1CCCCCCCCN1 1P028KAM [1,0,0,1,0,0|1,0,0]=3 417 B11R1.107 O=C1CCCCCCC(=O)O1 1P008YF6 [1,0,0,1,0,0|1,0,1]=4 418 B11R1.143 NC(=O)C1CCCCCC1N 1P019ZYH [1,0,0,1,0,0|2,0,0]=4 419 B11R1.143 OC(=O)C1CCCCCN1C 1P009WQP [1,0,0,1,0,0|1,0,0]=3 420 B11R1.143 OC(=O)[C@H]1CCCCC[C@H]1N 1P006VX8 [1,0,0,1,0,0|1,0,0]=3 421 B11R1.172 OC(=O)CCCC1CCCC1 1P019T8X [1,0,0,1,0,0|0,0,0]=2 422 B11R1.172 OC(=O)CCCC1CCCO1 1P0288ZN [1,0,0,1,0,0|1,0,0]=3 423 B11R1.172 OC(=O)CCCC1CCCS1 1P02873G [1,0,0,1,0,0|1,0,0]=3 424 B11R1.172 OC(=O)CCCC1CNCC1 1P028B75 [1,0,0,1,0,0|1,0,0]=3 425 B11R1.172 OC(=O)CCCN1CCCC1 1P004QOM [1,0,0,1,0,0|1,0,0]=3 426 B11R1.172 OC(=O)CCCN1CCCC1 1P00DEEC [1,0,0,1,0,0|1,0,0]=3 427 B11R1.172 OC(=O)CCNC1CCCC1 1P019YG3 [1,0,0,1,0,0|1,0,0]=3 428 B11R1.172 OC(=O)CCOC1CCCC1 1P0282J2 [1,0,0,1,0,0|1,0,0]=3 429 B11R1.172 OC(=O)CCOC1COCC1 1P01C7WZ [1,0,0,1,0,0|2,0,0]=4 430 B11R1.172 OC(=O)CCSC1CCCC1 1P019VGW [1,0,0,1,0,0|1,0,0]=3 431 B11R1.172 OC(=O)CNCC1CCCO1 1P028T1B [1,0,0,1,0,0|2,0,0]=4 432 B11R1.172 OC(=O)COCC1CCCC1 1P00H5XY [1,0,0,1,0,0|1,0,0]=3 433 B11R1.172 OC(=O)COCC1CCCN1 1P00J2UR [1,0,0,1,0,0|2,0,0]=4 434 B11R1.172 OC(=O)COCC1CCCO1 1P004NR4 [1,0,0,1,0,0|2,0,0]=4 435 B11R1.172 OC(=O)COCC1COCC1 1P01AJVB [1,0,0,1,0,0|2,0,0]=4 436 B11R1.172 OC(=O)CSCC1CCCO1 1P01AAJL [1,0,0,1,0,0|2,0,0]=4 437 B11R1.174 OC(=O)CCOCC1CCC1 1P027VGR [1,0,0,1,0,0|1,0,0]=3 438 B11R1.174 OC(=O)CCOCC1CNC1 1P027W6C [1,0,0,1,0,0|2,0,0]=4 439 B11R1.193 CCCC1CCCC1C(=O)O 1P01ANHH [1,0,0,1,0,0|0,0,0]=2 440 B11R1.193 CCCC1CCNC1C(=O)O 1P01ANE1 [1,0,0,1,0,0|1,0,0]=3 441 B11R1.193 CCCN1CCC[C@H]1C(=O)O 1P0004J0 [1,0,0,1,0,0|1,0,0]=3 442 B11R1.193 CCC[C@@H]1CNC[C@H]1C(=O)O 1P01EM27 [1,0,0,1,0,0|1,0,0]=3 443 B11R1.706 CC(=O)N1CCCCCCC1 1P003WKA [1,0,0,1,0,0|2,0,0]=4 444 B11R1.706 ClC(=O)N1CCCCCCC1 1P028J4M [1,0,0,1,0,0|2,0,0]=4 445 B11R1.706 OC(=O)C1CCCC=CCC1 1P00CT7K [1,0,0,1,0,0|0,0,2]=4 446 B11R1.706 OC(=O)C1CCCCCCC1 1P00CT8E [1,0,0,1,0,0|0,0,0]=2 447 B11R1.706 OC(=O)C1CCCCCCN1 1P01B90Z [1,0,0,1,0,0|1,0,0]=3 448 B11R1.706 OC(=O)C1CCCNCCC1 1P0293LY [1,0,0,1,0,0|1,0,0]=3 449 B11R1.742 CC(=O)CN1CCCCCC1 1P0091AW [1,0,0,1,0,0|2,0,0]=4 450 B11R1.742 CC(=O)CN1CCCCCC1 1P00I53A [1,0,0,1,0,0|2,0,0]=4 451 B11R1.742 ClC(=O)CC1CCCCCC1 1P01OHVJ [1,0,0,1,0,0|1,0,0]=3 452 B11R1.742 NC(=O)CC1CCCCCC1 1P001IHV [1,0,0,1,0,0|1,0,0]=3 453 B11R1.742 NC(=O)CC1CCNCCC1 1P01AV1A [1,0,0,1,0,0|2,0,0]=4 454 B11R1.742 OC(=O)C=C1CCCCCC1 1P01XCGE [1,0,0,1,0,0|0,0,2]=4 455 B11R1.742 OC(=O)CC1CCC=CCC1 1P01DTVO [1,0,0,1,0,0|0,0,2]=4 456 B11R1.742 OC(=O)CC1CCCCCC1 1P003543 [1,0,0,1,0,0|0,0,0]=2 457 B11R1.742 OC(=O)CC1CCCCCO1 1P028XCA [1,0,0,1,0,0|1,0,0]=3 458 B11R1.742 OC(=O)CC1CCNCCC1 1P01EM0P [1,0,0,1,0,0|1,0,0]=3 459 B11R1.742 OC(=O)CC1CCOCCC1 1P01DTUV [1,0,0,1,0,0|1,0,0]=3 460 B11R1.742 OC(=O)CC1COCCOC1 1P028BEJ [1,0,0,1,0,0|2,0,0]=4 461 B11R1.742 OC(=O)CN1CCCCCC1 1P00D9WS [1,0,0,1,0,0|1,0,0]=3 462 B11R1.742 OC(=O)CN1CCCCCC1 1P019UVU [1,0,0,1,0,0|1,0,0]=3 463 B11R1.742 OC(=O)CN1CCNCCC1 1P01AA4O [1,0,0,1,0,0|2,0,0]=4 464 B11R1.1 CCCCC1CCC(CC1)O 1P003LI9 [1,0,0,1,0,0|1,0,1]=4 465 B11R1.1 CCCCN1CCC(=O)CC1 1P003END [1,0,0,1,0,0|2,0,0]=4 466 B11R1.1 CCCOC1CCC(=O)CC1 1P001RDT [1,0,0,1,0,0|2,0,0]=4 467 B11R1.1 NCCCC1CCC(=O)NC1 1P028LPQ [1,0,0,1,0,0|2,0,0]=4 468 B11R1.75 CC1CCC(O1)CCC(=O)O 1P019SLU [1,0,0,1,0,0|1,0,0]=3 469 B11R1.75 CN1CCC(C1)CCC(=O)O 1P028TC7 [1,0,0,1,0,0|1,0,0]=3 470 B11R1.75 CN1CCC(C1)OCC(=O)O 1P01ESXI [1,0,0,1,0,0|2,0,0]=4 471 B11R1.75 NC1CCC(C1)CCC(=O)O 1P028W94 [1,0,0,1,0,0|1,0,0]=3 472 B11R1.75 OC(=O)CCC1CCC(=O)C1 1P00CM6U [1,0,0,1,0,0|1,0,1]=4 473 B11R1.167 CC1CCC(C(N1)C(=O)O)C 1P028FXY [1,0,0,1,0,0|1,0,0]=3 474 B11R1.167 CC1NCC(C(C1)C(=O)O)C 1P01FISJ [1,0,0,1,0,0|1,0,0]=3 475 B11R1.167 CN1CCN(C(C1)C(=O)O)C 1P00F2E1 [1,0,0,1,0,0|2,0,0]=4 476 B11R1.167 CN1CCN([C@H](C1)C(=O)O)C 1P027ZYM [1,0,0,1,0,0|2,0,0]=4 477 B11R1.167 CN1CC[C@H]([C@@H](C1)C(=O)O)O 1P00J1NX [1,0,0,1,0,0|2,0,0]=4 478 B11R1.167 C[C@@H]1CC[C@H](N(C1)C(=O)C)C 1P0288VO [1,0,0,1,0,0|2,0,0]=4 479 B11R1.211 CCCOC1CC(C1)C(=O)O 1P01XAHP [1,0,0,1,0,0|1,0,0]=3 480 B11R1.211 FCCOC1CC(C1)C(=O)O 1P01FLTY [1,0,0,1,0,0|2,0,0]=4 481 B11R1.262 COC1CC(C1)CCC(=O)O 1P028NSN [1,0,0,1,0,0|1,0,0]=3 482 B11R1.495 CC1CCC(N1CC(=O)O)C 1P019WPZ [1,0,0,1,0,0|1,0,0]=3 483 B11R1.713 OC(=O)CCC1(N)CCCC1 1P01FIWD [1,0,0,1,0,0|1,0,0]=3 484 B11R1.713 OC(=O)CCC1(N)COCC1 1P01FISW [1,0,0,1,0,0|2,0,0]=4 485 B11R1.713 OC(=O)COC1(C)CCCC1 1P01DWFO [1,0,0,1,0,0|1,0,0]=3 486 B11R1.914 CC1(CCCC)CCC(=O)O1 1P00CZUS [1,0,0,1,0,0|0,0,0]=2 487 B11R1.28 CCCCCC1CCCCC1 1P003TRH [1,0,0,1,0,0|1,0,1]=4 488 B11R1.203 NCCCC1CCCCCC1 1P028ZOC [1,0,0,1,0,0|1,0,1]=4 489 B11R1.203 OCCCN1CCCCCC1 1P002Y36 [1,0,0,1,0,0|1,0,1]=4 490 B11R1.203 OCCCN1CCCCCC1 1P01EMVO [1,0,0,1,0,0|1,0,1]=4 491 B11R1.203 OCCOC1CCCCCC1 1P01DTBI [1,0,0,1,0,0|1,0,1]=4 492 B11R1.465 CCCCC1=C(C)CCC1=O 1P003BQ4 [1,0,0,1,0,0|0,0,2]=4 493 B11R1.605 OCCN1[C@H](C)CCC[C@@H]1C 1P00I50Z [1,0,0,1,0,0|1,0,1]=4 494 B11R1.43 COC1CCN(C1)CC(=O)O 1P00M3VH [0,0,0,1,1,0|2,0,0]=4 495 B11R1.43 CO[C@H]1CCN(C1)CC(=O)O 1P028A2A [0,0,0,1,1,0|2,0,0]=4 496 B11R1.43 N#CC1CCC(C1)CC(=O)O 1P01EKO6 [0,0,0,1,1,0|1,0,1]=4 497 B11R1.43 NCC1OCC(C1)CC(=O)O 1P028ULB [0,0,0,1,1,0|2,0,0]=4 498 B11R1.77 CC(C1CCCC1)CC(=O)O 1P02919H [0,0,0,1,1,0|0,0,0]=2 499 B11R1.77 CC(N1CCCC1)CC(=O)O 1P00I51N [0,0,0,1,1,0|1,0,0]=3 500 B11R1.77 CN(C1CCCC1)CC(=O)N 1P01ABJ9 [0,0,0,1,1,0|2,0,0]=4 501 B11R1.77 CN(C1CCCC1)CC(=O)O 1P00H6PT [0,0,0,1,1,0|1,0,0]=3 502 B11R1.77 CN(C1CCCC1)CC(=O)O 1P027XM4 [0,0,0,1,1,0|1,0,0]=3 503 B11R1.77 NC(C1CCCC1)CC(=O)O 1P005XVH [0,0,0,1,1,0|1,0,0]=3 504 B11R1.77 NC(C1CCCC1)CC(=O)O 1P0292QQ [0,0,0,1,1,0|1,0,0]=3 505 B11R1.77 N[C@H](C1CCCC1)CC(=O)O 1P00I409 [0,0,0,1,1,0|1,0,0]=3 506 B11R1.77 OC(=O)CC(C1CCCO1)C 1P01B6LY [0,0,0,1,1,0|1,0,0]=3 507 B11R1.77 OC(=O)CN(C1CSCC1)C 1P01A2P6 [0,0,0,1,1,0|2,0,0]=4 508 B11R1.77 OC(C1CCCC1)CC(=O)O 1P01DTUE [0,0,0,1,1,0|1,0,0]=3 509 B11R1.120 CCOC1CC(C1)CC(=O)O 1P01B21F [0,0,0,1,1,0|1,0,0]=3 510 B11R1.156 CC1CCCC(N1C(=O)C)C 1P01WUOY [0,0,0,1,1,0|2,0,0]=4 511 B11R1.156 CC1CCCC(N1C(=O)Cl)C 1P01A4DC [0,0,0,1,1,0|2,0,0]=4 512 B11R1.156 C[C@@H]1CCC[C@@H](N1C(=O)Cl)C 1P0292BQ [0,0,0,1,1,0|2,0,0]=4 513 B11R1.157 CC1CCCC(C1)CC(=O)O 1P01A967 [0,0,0,1,1,0|0,0,0]=2 514 B11R1.157 CC1CCCN(C1)CC(=O)C 1P004QO1 [0,0,0,1,1,0|2,0,0]=4 515 B11R1.157 CC1CCCN(C1)CC(=O)N 1P01ALKB [0,0,0,1,1,0|2,0,0]=4 516 B11R1.157 CC1CCCN(C1)CC(=O)O 1P00468W [0,0,0,1,1,0|1,0,0]=3 517 B11R1.157 CC1CNCC(C1)CC(=O)O 1P01AUZK [0,0,0,1,1,0|1,0,0]=3 518 B11R1.157 CC1COCC(O1)CC(=O)O 1P0283L5 [0,0,0,1,1,0|2,0,0]=4 519 B11R1.157 CN1CCCC(C1)CC(=O)O 1P00ADCD [0,0,0,1,1,0|1,0,0]=3 520 B11R1.157 CN1CCCC(C1)CC(=O)O 1P028ZVO [0,0,0,1,1,0|1,0,0]=3 521 B11R1.157 C[C@@H]1CCC[C@@H](O1)CC(=O)O 1P01H95G [0,0,0,1,1,0|1,0,0]=3 522 B11R1.157 NC1CC(CC(=O)O)OCC1 1P028WKR [0,0,0,1,1,0|2,0,0]=4 523 B11R1.157 NC1CCCC(C1)CC(=O)N 1P028XFS [0,0,0,1,1,0|2,0,0]=4 524 B11R1.157 NC1CCCC(C1)CC(=O)O 1P0282VC [0,0,0,1,1,0|1,0,0]=3 525 B11R1.157 NC1CCCN(C1)CC(=O)O 1P027Z3Y [0,0,0,1,1,0|2,0,0]=4 526 B11R1.157 OC(=O)CC1CCCC(=O)C1 1P01DWV6 [0,0,0,1,1,0|1,0,1]=4 527 B11R1.230 CC1CC(=O)OC1CCCC 1P00I87D [0,0,0,1,1,0|0,0,0]=2 528 B11R1.484 CC(CC(=O)O)NC1CCC1 1P01JMX9 [0,0,0,1,1,0|1,0,0]=3 529 B11R1.928 CC(=O)CC1(N)CCCCC1 1P028GSS [0,0,0,1,1,0|2,0,0]=4 530 B11R1.928 NC(=O)CC1(N)CCCCC1 1P01EIJT [0,0,0,1,1,0|2,0,0]=4 531 B11R1.928 OC(=O)CC1(C)CCCCC1 1P01A2UD [0,0,0,1,1,0|0,0,0]=2 532 B11R1.928 OC(=O)CC1(C)CCNCC1 1P009KEO [0,0,0,1,1,0|1,0,0]=3 533 B11R1.928 OC(=O)CC1(C)CCOCC1 1P0088G4 [0,0,0,1,1,0|1,0,0]=3 534 B11R1.928 OC(=O)CC1(N)CCCCC1 1P00CJ87 [0,0,0,1,1,0|1,0,0]=3 535 B11R1.928 OC(=O)CC1(N)CCCCC1 1P00CMEE [0,0,0,1,1,0|1,0,0]=3 536 B11R1.928 OC(=O)CC1(N)CCCOC1 1P01C5PD [0,0,0,1,1,0|2,0,0]=4 537 B11R1.928 OC(=O)CC1(N)CCNCC1 1P01A62Z [0,0,0,1,1,0|2,0,0]=4 538 B11R1.928 OC(=O)CC1(N)CCOCC1 1P00I65C [0,0,0,1,1,0|2,0,0]=4 539 B11R1.928 OC(=O)CC1(N)CCOCC1 1P00IY3I [0,0,0,1,1,0|2,0,0]=4 540 B11R1.928 OC(=O)CC1(N)CCSCC1 1P00J8SP [0,0,0,1,1,0|2,0,0]=4 541 B11R1.928 OC(=O)CC1(O)CCCCC1 1P001J6R [0,0,0,1,1,0|1,0,0]=3 542 B11R1.928 OC(=O)CC1(O)CCCOC1 1P01EKM9 [0,0,0,1,1,0|2,0,0]=4 543 B11R1.928 OC(=O)CC1(O)CCNCC1 1P0206RZ [0,0,0,1,1,0|2,0,0]=4 544 B11R1.928 OC(=O)CC1(O)CCOCC1 1P01AFGF [0,0,0,1,1,0|2,0,0]=4 545 B13R1.149 NC1CCCC(C1)CCCC(=O)O 1P0282UH [0,0,0,1,0,1|1,0,0]=3 546 B13R1.280 OC(=O)CCN1CCCCCC1=O 1P006Z0D [0,0,0,1,0,1|1,0,1]=4 547 B13R1.342 CC(N1CCCC1)COCC(=O)O 1P01APL0 [0,0,0,1,0,1|1,0,0]=3 548 B13R1.342 O=C(C1CCCC1)NCCC(=O)O 1P019NDB [0,0,0,1,0,1|1,0,1]=4 549 B13R1.658 CCCCCC1NC(CS1)C(=O)O 1P01AATV [0,0,0,1,0,1|1,0,0]=3 550 B13R1.1988 CC(=O)NCCN1CCCCCC1 1P0284OD [0,0,0,1,0,1|2,0,0]=4 551 B13R1.1988 OC(=O)CCCN1CCCCCC1 1P005YQB [0,0,0,1,0,1|1,0,0]=3 552 B13R1.1988 OC(=O)CCCN1CCCCCC1 1P00J2GG [0,0,0,1,0,1|1,0,0]=3 553 B13R1.1988 OC(=O)CON=C1CCCCCC1 1P01DYY7 [0,0,0,1,0,1|1,0,1]=4 554 B13R1.3787 CC1CCCC(N1CCC(=O)O)C 1P028O1R [0,0,0,1,0,1|0,0,0]=2 555 B13R1.3787 C[C@@H]1CCC[C@@H](N1CCC(=O)O)C 1P00J20R [0,0,0,1,0,1|0,0,0]=2 556 B13R1.129 CN1CCC(C1)N(CCC(=O)O)C 1P00J20U [0,1,0,1,0,0|2,0,0]=4 557 B13R1.165 CC1CCC(C(C1)C(=O)O)C(C)C 1P00CL5C [0,1,0,1,0,0|0,0,0]=2 558 B13R1.165 C[C@@H]1CC[C@H]([C@@H](C1)C(=O)O)C(C)C 1P001SG8 [0,1,0,1,0,0|0,0,0]=2 559 B13R1.513 CC(CCCC1CCC(=O)CC1)C 1P028XY8 [0,1,0,1,0,0|1,0,0]=3 560 B13R1.1035 CC(=O)CCN1CCCC(C1)(C)C 1P028LOX [0,1,0,1,0,0|2,0,0]=4 561 B13R1.1035 OC(=O)CCN1CCSC(C1)(C)C 1P028NB2 [0,1,0,1,0,0|2,0,0]=4 562 B13R1.45 CC(C1CCCCC1)NCC(=O)O 1P01BI10 [0,1,0,1,0,0|1,0,0]=3 563 B13R1.45 CC(N1CCCCC1)CCC(=O)O 1P00J2IW [0,1,0,1,0,0|0,0,0]=2 564 B13R1.45 CN(C1CCCCC1)CCC(=O)O 1P01AD51 [0,1,0,1,0,0|1,0,0]=3 565 B13R1.45 CN(C1CCNCC1)CCC(=O)O 1P01AG8Z [0,1,0,1,0,0|1,0,0]=3 566 B13R1.148 CC1CCCC(C1)OC(C(=O)O)C 1P01AJBA [0,1,0,1,0,0|1,0,0]=3 567 B13R1.3789 CC1CCCC(N1C(=O)C(=O)O)C 1P00GIJP [0,1,0,1,0,0|1,0,1]=4 568 B13R1.6192 CC(C(=O)O)OC1CCCCCC1 1P01A0DW [0,1,0,1,0,0|1,0,0]=3 569 B13R1.6192 NC(C(=O)O)CC1CCCCCC1 1P01B4SP [0,1,0,1,0,0|0,0,0]=2 570 B13R1.6192 N[C@H](C(=O)O)CC1CCCCCC1 1P01A7HA [0,1,0,1,0,0|0,0,0]=2 571 B13R1.6192 O=C(C(=O)O)NC1CCCCCC1 1P000644 [0,1,0,1,0,0|1,0,1]=4 572 B13R1.3 CCN1CCN(CC1)CCC(=O)O 1P009ONX [0,1,0,1,0,0|2,0,0]=4 573 B13R1.3 CCN1CCN(CC1)CCC(=O)O 1P00J6XU [0,1,0,1,0,0|2,0,0]=4 574 B13R1.3 NCC1CCN(CC1)CCC(=O)O 1P01ELWC [0,1,0,1,0,0|2,0,0]=4 575 B13R1.1022 OC(=O)COC1CCCCCC#C1 1P01BEDT [0,1,0,1,0,0|1,0,1]=4 576 B13R1.147 NC1CCCN(C1)C(CC(=O)O)C 1P028QWB [0,1,0,1,0,0|2,0,0]=4 577 B13R1.7456 CC(N1CCCCCC1)CC(=O)O 1P00J27E [0,1,0,1,0,0|1,0,0]=3 578 B13R1.7456 NC(C1CCCCCC1)CC(=O)O 1P01ELYB [0,1,0,1,0,0|0,0,0]=2 579 B13R1.15 COC(=O)CCC1CCCC(=O)C1 1P0283VA [0,1,0,1,0,0|1,0,1]=4 580 B13R1.15 COC(=O)CCC1CCCC(C1)O 1P0282ZC [0,1,0,1,0,0|1,0,0]=3 581 B13R1.15 COC(=O)CCN1CCCC(C1)N 1P0287VN [0,1,0,1,0,0|2,0,0]=4 582 B13R1.15 COC(=O)CCN1CCNC(C1)C 1P01A51J [0,1,0,1,0,0|2,0,0]=4 583 B13R1.15 COC(=O)CC[C@@H]1CCC[C@@H](C1)O 1P0284CS [0,1,0,1,0,0|1,0,0]=3 584 B13R1.527 COC(=O)CC1CCCCCC1=O 1P005S23 [0,1,0,1,0,0|1,0,1]=4 585 B13R1.1711 COC(=O)CCC1CCCCNC1 1P027TTQ [0,1,0,1,0,0|1,0,0]=3 586 B13R1.1711 NNC(=O)CCN1CCCCCC1 1P00J6ZQ [0,1,0,1,0,0|2,0,0]=4 587 B13R1.2045 COC(=O)CCC1(N)CCCCC1 1P01EK40 [0,1,0,1,0,0|1,0,0]=3 588 B13R1.2045 COC(=O)COC1(C)CCNCC1 1P027VDH [0,1,0,1,0,0|2,0,0]=4 589 B13R1.4928 CC1CCCC(N1CC(=NO)N)C 1P019VHL [0,1,0,1,0,0|2,0,0]=4 590 B13R1.9 CCCCCCC1CCC(=O)CC1 1P00DXH1 [0,1,0,1,0,0|1,0,0]=3 591 B13R1.344 O=C(NC1CCCC1)CCC(=O)O 1P00DB8Q [0,1,0,1,0,0|1,0,1]=4 592 B13R1.643 CNC1CCCN(C1)CCC(=O)O 1P028RIB [0,1,0,1,0,0|1,0,0]=3 593 B13R1.19 CCCC(CN1CCC(=O)CC1)C 1P01B9EA [0,1,0,1,0,0|2,0,0]=4 594 B13R1.19 CCCC(CN1CCC(=O)CC1)C 1P01BDJA [0,1,0,1,0,0|2,0,0]=4 595 B13R1.3420 CC1CC(N)CN(C1)CCC(=O)O 1P0285L4 [0,1,0,1,0,0|1,0,0]=3 596 B13R1.3420 C[C@@H]1O[C@H](C)CN(C1)CCC(=O)O 1P009E9D [0,1,0,1,0,0|2,0,0]=4 597 B13R1.588 OC(=O)CCS(=O)(=O)C1CCCC1 1P019V50 [0,1,0,1,0,0|2,0,0]=4 598 B13R1.8832 OC(=O)CC1CCCCCC1(F)F 1P028O30 [0,1,0,1,0,0|1,0,0]=3 599 B13R1.8832 OC(=O)CC1CCNCCC1(F)F 1P028NI7 [0,1,0,1,0,0|2,0,0]=4 600 B13R1.6268 ClS(=O)(=O)CCC1CCCCCC1 1P01B450 [0,1,0,1,0,0|1,0,1]=4 601 B13R1.6268 NS(=O)(=O)CCC1CCCCCC1 1P01B451 [0,1,0,1,0,0|1,0,1]=4 602 B13R2.12 O=C1CCC(CC1)N2CCCC2 1P028NNH [0,0,0,2,0,0|2,0,0]=4 603 B13R2.12 O=C1CCN(CC1)C2CCCC2 1P00J2DD [0,0,0,2,0,0|2,0,0]=4 604 B13R2.527 O=C1CCC(CC1)OCC2CC2 1P02896X [0,0,0,2,0,0|2,0,0]=4 605 B13R2.5037 O=C1CCC2(C=C1)CCCCC2 1P0031WE [0,0,0,2,0,0|1,0,1]=4 606 B13R2.5037 O=C1CCC2(CC1)CCCCC2 1P002I55 [0,0,0,2,0,0|1,0,0]=3 607 B13R2.5037 O=C1CCC2(CC1)CCCCO2 1P01DYMW [0,0,0,2,0,0|2,0,0]=4 608 B13R2.5037 O=C1CCC2(CC1)CCNCC2 1P01DJP5 [0,0,0,2,0,0|2,0,0]=4 609 B13R2.5037 O=C1CCC2(CC1)CCOCC2 1P000HKN [0,0,0,2,0,0|2,0,0]=4 610 B13R2.5037 O=C1CCC2(CN1)CCCNC2 1P00J2Z0 [0,0,0,2,0,0|2,0,0]=4 611 B13R2.5037 O=C1CCC2(CN1)CCCNC2 1P028C51 [0,0,0,2,0,0|2,0,0]=4 612 B13R2.5037 O=C1CCC2(CN1)CCNCC2 1P00J2Z3 [0,0,0,2,0,0|2,0,0]=4 613 B13R2.5037 O=C1CNC2(CN1)CCCCC2 1P01DNGC [0,0,0,2,0,0|2,0,0]=4 614 B13R2.5037 O=S1OCC2(CO1)CCCCC2 1P028LJT [0,0,0,2,0,0|2,0,0]=4 615 B13R2.4670 OC(=O)C1CC2CCC1C(=O)C2 1P028JJO [0,0,0,2,0,0|1,0,1]=4 616 B13R2.4670 OC(=O)C1CN2CCN1C(C2)C 1P01A3P9 [0,0,0,2,0,0|2,0,0]=4 617 B13R2.5187 CC1CCC2C(C1)C(=O)OC2=O 1P00I3IT [0,0,0,2,0,0|1,0,1]=4 618 B13R2.5509 OC(=O)C1CC2CCCC1CC2 1P0284VM [0,0,0,2,0,0|0,0,0]=2 619 B13R2.5509 OC(=O)C1CC2CNCC1CC2 1P028UCF [0,0,0,2,0,0|1,0,0]=3 620 B13R2.5509 OC(=O)C1CN2CCCC1CC2 1P0280V6 [0,0,0,2,0,0|1,0,0]=3 621 B13R2.5509 OC(=O)C1CN2CCCN1CC2 1P01A3P8 [0,0,0,2,0,0|2,0,0]=4 622 B13R2.235 OC(=O)C1CC(=O)C12CCCC2 1P028IVF [0,0,0,2,0,0|1,0,1]=4 623 B13R2.436 OC(=O)C1CC(C1)N2CCCC2 1P01XGLB [0,0,0,2,0,0|1,0,0]=3 624 B13R2.436 OC(=O)C1CN(C1)C2COCC2 1P01B7ND [0,0,0,2,0,0|2,0,0]=4 625 B13R2.436 OC(=O)[C@@H]1C[C@@H](C1)N2CCCC2 1P0289MQ [0,0,0,2,0,0|1,0,0]=3 626 B13R2.2349 O=C1NCC(C1)(C)C2CCCC2 1P01AGHR [0,0,0,2,0,0|2,0,0]=4 627 B13R2.5511 OC(=O)C1CC1(C)C2CCCO2 1P0283GL [0,0,0,2,0,0|1,0,0]=3 628 B13R2.5511 OC(=O)C1CC1(C)C2COCC2 1P02827L [0,0,0,2,0,0|1,0,0]=3 629 B13R2.5551 OC(=O)CCC1CC2CC1CC2 1P01A3I6 [0,0,0,2,0,0|0,0,0]=2 630 B13R2.5551 OC(=O)CCN1CC2CC1CC2 1P00A1DF [0,0,0,2,0,0|1,0,0]=3 631 B13R2.431 NC(=O)N1CCC2CC(C1)CC2 1P028TWZ [0,0,0,2,0,0|2,0,0]=4 632 B13R2.13858 OC(=O)CCC12CCC(C1)CC2 1P028NWV [0,0,0,2,0,0|0,0,0]=2 633 B13R2.12413 CCOC1CC2(C1)CC2C(=O)O 1P01BSMZ [0,0,0,2,0,0|1,0,0]=3 634 B13R2.1286 OC(=O)C[C@@H]1C[C@H]2C[C@@H]1CNC2 1P027ZU2 [0,0,0,2,0,0|1,0,0]=3 635 B13R2.13972 OC(=O)C1=CC2C1CCCCC2 1P028M7H [0,0,0,2,0,0|0,0,2]=4 636 B13R2.13972 OC(=O)[C@@H]1C[C@H]2[C@@H]1CCCCC2 1P028N7I [0,0,0,2,0,0|0,0,0]=2 637 B13R2.433 OC(=O)C1CC2CCCN(C1)C2 1P0280PY [0,0,0,2,0,0|1,0,0]=3 638 B13R2.433 OC(=O)C1CC2CNCC(C1)O2 1P027UIS [0,0,0,2,0,0|2,0,0]=4 639 B13R2.433 OC(=O)[C@@H]1CC2CCCC(C1)C2 1P00EPV2 [0,0,0,2,0,0|0,0,0]=2 640 B13R2.433 OC(=O)[C@@H]1C[C@@H]2CC=C[C@H](C1)C2 1P028VKM [0,0,0,2,0,0|0,0,2]=4 641 B13R2.433 OC(=O)[C@@H]1C[C@@H]2CCC[C@H](C1)C2 1P023O5E [0,0,0,2,0,0|0,0,0]=2 642 B13R2.433 OC(=O)[C@@H]1C[C@@H]2COC[C@H](C1)C2 1P028W6J [0,0,0,2,0,0|1,0,0]=3 643 B13R2.5575 OC(=O)[C@H]1C[C@H]2C[C@]1(N)CCC2 1P028VVN [0,0,0,2,0,0|1,0,0]=3 644 B13R2.11132 CC1OCCC2(C1)CC2C(=O)O 1P01A6VC [0,0,0,2,0,0|1,0,0]=3 645 B13R2.354 CN1C[C@H]2[C@@](C1)(COC2)C(=O)O 1P028Z8F [0,0,0,2,0,0|2,0,0]=4 646 B13R2.354 OC1CN2C(C1)(CCC2)C(=O)O 1P0285R2 [0,0,0,2,0,0|2,0,0]=4 647 B13R2.12149 O=C1CC(C2(C1)CCC2)C(=O)O 1P028J9V [0,0,0,2,0,0|1,0,1]=4 648 B13R2.5535 OC(=O)CC[C@@H]1C[C@H]1CC2CC2 1P028NCA [0,0,0,2,0,0|0,0,0]=2 649 B13R2.2049 COC1CCC12CC(C2)C(=O)O 1P028EH4 [0,0,0,2,0,0|1,0,0]=3 650 B13R2.689 OC(=O)CC1C2CNCC1CC2 1P027OGP [0,0,0,2,0,0|1,0,0]=3 651 B13R2.13132 O=C1NCC2(C1)CCCCCC2 1P0080D0 [0,0,0,2,0,0|2,0,0]=4 652 B13R2.13132 O=C1NCC2(O1)CCNCCC2 1P0280FS [0,0,0,2,0,0|2,0,0]=4 653 B13R2.13968 NC(=O)N1CC2(C1)CCCCC2 1P028VWE [0,0,0,2,0,0|2,0,0]=4 654 B13R2.13968 OC(=O)C1CC2(C1)CCCCC2 1P01A6J0 [0,0,0,2,0,0|0,0,0]=2 655 B13R2.13968 OC(=O)C1CC2(C1)CCCCO2 1P028F1R [0,0,0,2,0,0|1,0,0]=3 656 B13R2.13968 OC(=O)C1CC2(C1)CCNCC2 1P00ILGY [0,0,0,2,0,0|1,0,0]=3 657 B13R2.13968 OC(=O)C1CC2(C1)CCNCC2 1P020MRI [0,0,0,2,0,0|1,0,0]=3 658 B13R2.13968 OC(=O)C1CC2(C1)CCOCC2 1P01C1PB [0,0,0,2,0,0|1,0,0]=3 659 B13R2.13968 OC(=O)C1CC2(C1)OCCOC2 1P028CB6 [0,0,0,2,0,0|2,0,0]=4 660 B13R2.13968 OC(=O)[C@@H]1C[C@@]2(C1)CCCCN2 1P028U7C [0,0,0,2,0,0|1,0,0]=3 661 B9R0.4 CC(OC(=O)Cl)CCCC 1P00BKD3 [1,0,0,0,1,0|2,0,0]=4 662 B9R0.4 CCCCC(CC(=O)O)C 1P00DEMS [1,0,0,0,1,0|0,0,0]=2 663 B9R0.4 CCCCC(CC(=O)O)N 1P003JEA [1,0,0,0,1,0|1,0,0]=3 664 B9R0.4 CCCCC(CC(=O)O)O 1P0021PJ [1,0,0,0,1,0|1,0,0]=3 665 B9R0.4 CCCC[C@@H](CC(=O)O)C 1P00E9G5 [1,0,0,0,1,0|0,0,0]=2 666 B9R0.4 CCCC[C@@H](CC(=O)O)N 1P028ZHI [1,0,0,0,1,0|1,0,0]=3 667 B9R0.4 CCCC[C@H](CC(=O)O)N 1P01C415 [1,0,0,0,1,0|1,0,0]=3 668 B9R0.4 CCCNC(CC(=O)O)C 1P01JMXF [1,0,0,0,1,0|1,0,0]=3 669 B9R0.4 COCCN(CC(=O)O)C 1P00H2CF [1,0,0,0,1,0|2,0,0]=4 670 B9R0.4 COCCN(CC(=O)O)C 1P00J216 [1,0,0,0,1,0|2,0,0]=4 671 B9R0.4 COCCN(CC(=O)O)C 1P00J3PW [1,0,0,0,1,0|2,0,0]=4 672 B9R0.4 CSCC[C@@H](CC(=O)O)N 1P0059MX [1,0,0,0,1,0|2,0,0]=4 673 B9R0.4 CSCC[C@@H](CC(=O)O)N 1P00C7Q2 [1,0,0,0,1,0|2,0,0]=4 674 B9R0.4 CSCC[C@@H](CC(=O)O)O 1P0288US [1,0,0,0,1,0|2,0,0]=4 675 B9R0.4 CSCC[C@H](CC(=O)O)N 1P01KL8J [1,0,0,0,1,0|2,0,0]=4 676 B9R0.4 CSCC[C@H](CC(=O)O)O 1P028ZRH [1,0,0,0,1,0|2,0,0]=4 677 B9R0.4 NCCCC(CC(=O)O)N 1P027RZB [1,0,0,0,1,0|2,0,0]=4 678 B9R0.4 NCCC[C@@H](CC(=O)O)N 1P01BJRD [1,0,0,0,1,0|2,0,0]=4 679 B9R0.4 NCCNC(CC(=O)O)C 1P01JMVM [1,0,0,0,1,0|2,0,0]=4 680 B9R0.4 NCCSC(CC(=O)O)C 1P028G9Z [1,0,0,0,1,0|2,0,0]=4 681 B9R0.4 OCCC[C@H](CC(=O)[O-])C 1P0285TK [1,0,0,0,1,0|1,0,1]=4 682 B9R0.4 OCCNC(CC(=O)O)C 1P003YA8 [1,0,0,0,1,0|2,0,0]=4 683 B9R0.47 BrCCCCC(C(=O)O)Br 1P000WHK [0,0,0,0,2,0|2,0,0]=4 684 B9R0.47 C#CCCCC(C(=O)O)C 1P020ME5 [0,0,0,0,2,0|0,0,2]=4 685 B9R0.47 C=CCCC[C@@H](C(=O)O)C 1P027U73 [0,0,0,0,2,0|0,0,2]=4 686 B9R0.47 CC(C(=O)O)CSCCN 1P01C4YK [0,0,0,0,2,0|2,0,0]=4 687 B9R0.47 CC(C(=O)O)OCCCC 1P001E99 [0,0,0,0,2,0|1,0,0]=3 688 B9R0.47 CC(C(=O)O)OCCOC 1P01AISP [0,0,0,0,2,0|2,0,0]=4 689 B9R0.47 CC(C(=O)O)SCCCC 1P004B9H [0,0,0,0,2,0|1,0,0]=3 690 B9R0.47 CCCCCC(=O)C(=O)O 1P000VJ8 [0,0,0,0,2,0|1,0,1]=4 691 B9R0.47 CCCCCC(C(=O)O)C 1P003I62 [0,0,0,0,2,0|0,0,0]=2 692 B9R0.47 CCCCCC(C(=O)O)F 1P001Q6O [0,0,0,0,2,0|1,0,0]=3 693 B9R0.47 CCCCCC(C(=O)O)N 1P003H03 [0,0,0,0,2,0|1,0,0]=3 694 B9R0.47 CCCCCC(C(=O)O)O 1P00EZ41 [0,0,0,0,2,0|1,0,0]=3 695 B9R0.47 CCCCC[C@@H](C(=O)O)N 1P00DCUE [0,0,0,0,2,0|1,0,0]=3 696 B9R0.47 CCCCC[C@H](C(=O)O)N 1P0037WI [0,0,0,0,2,0|1,0,0]=3 697 B9R0.47 CCCSCC(C(=O)O)N 1P019VBS [0,0,0,0,2,0|2,0,0]=4 698 B9R0.47 CCSCCC(C(=O)O)N 1P005QP7 [0,0,0,0,2,0|2,0,0]=4 699 B9R0.47 CCSCC[C@@H](C(=O)O)N 1P000VD0 [0,0,0,0,2,0|2,0,0]=4 700 B9R0.47 CCSCC[C@H](C(=O)O)N 1P003PQH [0,0,0,0,2,0|2,0,0]=4 701 B9R0.47 CC[Se]CCC(C(=O)O)N 1P00C2XO [0,0,0,0,2,0|2,0,0]=4 702 B9R0.47 COCCCC(C(=O)O)C 1P01A5J6 [0,0,0,0,2,0|1,0,0]=3 703 B9R0.47 COCCCC(C(=O)O)N 1P01A0OO [0,0,0,0,2,0|2,0,0]=4 704 B9R0.47 CSCCCC(C(=O)O)N 1P028FLE [0,0,0,0,2,0|2,0,0]=4 705 B9R0.47 NCCCCC(C(=O)O)N 1P003QAT [0,0,0,0,2,0|2,0,0]=4 706 B9R0.47 NCCCCC(C(=O)O)N 1P003QAU [0,0,0,0,2,0|2,0,0]=4 707 B9R0.47 NCCCCC(C(=O)O)N 1P005IL6 [0,0,0,0,2,0|2,0,0]=4 708 B9R0.47 NCCCC[C@@H](C(=O)O)N 1P002CX7 [0,0,0,0,2,0|2,0,0]=4 709 B9R0.47 NCCCC[C@@H](C(=O)O)N 1P0032XE [0,0,0,0,2,0|2,0,0]=4 710 B9R0.47 NCCCC[C@@H](C(=O)O)N 1P003RTC [0,0,0,0,2,0|2,0,0]=4 711 B9R0.47 NCCCC[C@@H](C(=O)O)N 1P003RTF [0,0,0,0,2,0|2,0,0]=4 712 B9R0.47 NCCCC[C@@H](C(=O)O)N 1P00I5NB [0,0,0,0,2,0|2,0,0]=4 713 B9R0.47 NCCCC[C@@H](C(=O)O)N 1P00IBZD [0,0,0,0,2,0|2,0,0]=4 714 B9R0.47 NCCCC[C@@H](C(=O)O)O 1P028WEV [0,0,0,0,2,0|2,0,0]=4 715 B9R0.47 NCCCC[C@H](C(=O)O)N 1P003QBH [0,0,0,0,2,0|2,0,0]=4 716 B9R0.47 NCCCC[C@H](C(=O)O)N 1P003QBI [0,0,0,0,2,0|2,0,0]=4 717 B9R0.47 OCCCC[C@H](C(=O)O)N 1P01B5HC [0,0,0,0,2,0|2,0,0]=4