0 B13R1.119 CCCCCCCCC1OCCO1 Amb22364938 [1,0,0,0,0,0|1,0,1]=3 1 B13R1.119 CCCCCCCNC1CCCC1 Amb7757184 [1,0,0,0,0,0|2,0,1]=4 2 B13R1.119 CCCCCSCCC1OCCO1 Amb27594324 [1,0,0,0,0,0|2,0,1]=4 3 B13R1.119 CCCNCCNCC1CCCO1 Amb19076056 [1,0,0,0,0,0|2,0,1]=4 4 B13R1.119 CCNCCCNCC1CCCO1 Amb19058771 [1,0,0,0,0,0|2,0,1]=4 5 B15R1.34 CCCCCCCCNC1=NC(=O)CS1 Amb16190 [0,1,0,0,0,0|2,0,1]=4 6 B15R1.9280 CCCCCCCOC1CCS(=O)(=O)C1 Amb5717078 [0,1,0,0,0,0|3,0,0]=4 7 B13R0.54 C=CCCCCCCCCCC(=O)O Amb6296074 [0,0,1,0,0,0|0,0,2]=3 8 B13R0.54 CCCCCCCCCCCC(=O)Cl Amb3940238 [0,0,1,0,0,0|1,0,0]=2 9 B13R0.54 CCCCCCCCCCCC(=O)O Amb2708779 [0,0,1,0,0,0|0,0,0]=1 10 B13R0.54 CCCCCCCCCCCC(=O)[O-] Amb22729066 [0,0,1,0,0,0|0,0,1]=2 11 B13R0.54 CCCCCCCCCCCC(=O)[O-] Amb8516675 [0,0,1,0,0,0|0,0,1]=2 12 B13R0.54 CCCCCCCCCCCC(C)Br Amb22734063 [0,0,1,0,0,0|2,0,1]=4 13 B13R0.54 CCCCCCCCCCCC(C)N Amb21953727 [0,0,1,0,0,0|2,0,1]=4 14 B13R0.54 CCCCCCCCCCCC(N)=O Amb4008368 [0,0,1,0,0,0|1,0,0]=2 15 B13R0.54 CCCCCCCCCCCC(N)=S Amb13953232 [0,0,1,0,0,0|1,1,0]=3 16 B13R0.54 CCCCCCCCCCCN(C)C Amb8516600 [0,0,1,0,0,0|3,0,0]=4 17 B13R0.54 CCCCCCCCCCOC(=O)Cl Amb22337976 [0,0,1,0,0,0|2,0,0]=3 18 B13R0.54 CCCCCCCCC\C=C/C(=O)O Amb30666645 [0,0,1,0,0,0|0,0,2]=3 19 B13R0.54 CCCCCCCCC\C=C\C(=O)O Amb13952752 [0,0,1,0,0,0|0,0,2]=3 20 B13R0.54 CCCCCCCCSCCC(=O)O Amb1038994 [0,0,1,0,0,0|1,0,0]=2 21 B13R0.54 CCCCCNCCCCCC(=O)O Amb32410634 [0,0,1,0,0,0|1,0,0]=2 22 B13R0.54 CCCCOCCOCCCC(=O)O Amb9208474 [0,0,1,0,0,0|2,0,0]=3 23 B13R0.54 CCCCSCCCCCCC(=O)O Amb1036584 [0,0,1,0,0,0|1,0,0]=2 24 B13R0.54 COCCOCCOCCCC(=O)O Amb32667431 [0,0,1,0,0,0|3,0,0]=4 25 B13R0.54 N#CCCCCCCCCCC(=O)O Amb22547629 [0,0,1,0,0,0|1,0,1]=3 26 B13R0.54 NCCCCCCCCCCC(=O)Cl Amb17143769 [0,0,1,0,0,0|2,0,0]=3 27 B13R0.54 NCCCCCCCCCCC(=O)O Amb3940461 [0,0,1,0,0,0|1,0,0]=2 28 B13R0.54 O=C(O)CCCCCCCCCCBr Amb639361 [0,0,1,0,0,0|1,0,0]=2 29 B13R0.54 O=C(O)CCCCCCCCCCCl Amb534918 [0,0,1,0,0,0|1,0,0]=2 30 B13R0.54 O=C(O)CCCCCCCCCCO Amb1814707 [0,0,1,0,0,0|1,0,0]=2 31 B13R0.54 O=C(O)CCCCCCCCCCS Amb584507 [0,0,1,0,0,0|1,0,0]=2 32 B13R0.54 [N-]=[N+]=NCCCCCCCCC(=O)O Amb34913620 [0,0,1,0,0,0|3,0,0]=4 33 B13R0.147 C=CC(=O)OCCCCCCCCC Amb20670989 [0,0,1,0,0,0|0,0,2]=3 34 B13R0.147 CCCCCCCCCCC(=O)NN Amb534278 [0,0,1,0,0,0|3,0,0]=4 35 B13R0.147 CCCCCCCCCCC(=O)OC Amb9787313 [0,0,1,0,0,0|2,0,0]=3 36 B13R0.147 CCCCCCCCCNC(=O)CCl Amb17797886 [0,0,1,0,0,0|2,0,0]=3 37 B13R0.147 CCCCCCCCCNC(C)CC Amb7794406 [0,0,1,0,0,0|2,0,1]=4 38 B13R0.147 CCCCCCCNCCC(=O)NC Amb18333360 [0,0,1,0,0,0|3,0,0]=4 39 B13R0.147 COC(=O)CCCCCCCCCBr Amb3941556 [0,0,1,0,0,0|3,0,0]=4 40 B13R0.147 COC(=O)CCCCCCCCCN Amb32680801 [0,0,1,0,0,0|3,0,0]=4 41 B13R0.147 COC(=O)CCCCCCCCCN Amb33330795 [0,0,1,0,0,0|3,0,0]=4 42 B13R0.147 NCCCCCCCCNC(=O)CBr Amb19981082 [0,0,1,0,0,0|3,0,0]=4 43 B13R0.335 CCCCCCCCC(C)CC(=O)O Amb28653289 [0,0,1,0,0,0|2,0,0]=3 44 B15R2.70 O=CC[C@@H]1CCCC[C@]12CCC(=O)C2 Amb27463382 [0,0,0,1,0,0|2,0,1]=4 45 B15R2.119 CCC1CCCC1NC2=CC(=O)CC2 Amb27266288 [0,0,0,1,0,0|2,0,1]=4 46 B15R2.119 NC[C@@H]1CCCN1CC2CCC(=O)N2 Amb35729884 [0,0,0,1,0,0|3,0,0]=4 47 B15R2.119 NC[C@H]1CCCN1CC2CCC(=O)N2 Amb35733828 [0,0,0,1,0,0|3,0,0]=4 48 B15R2.119 NC[C@H]1CCCN1CC2CNC(=O)O2 Amb27439610 [0,0,0,1,0,0|3,0,0]=4 49 B15R2.119 O=C1NCC(CN2CCCC2CO)O1 Amb19090198 [0,0,0,1,0,0|3,0,0]=4 50 B15R2.277 CCCC1COCC1N2CCC(=O)C2 Amb35617253 [0,0,0,1,0,0|3,0,0]=4 51 B15R2.277 COCC1CCCN1C2CCC(=O)C2 Amb35623170 [0,0,0,1,0,0|3,0,0]=4 52 B15R2.277 CSCC1CCCN1C2CCC(=O)C2 Amb27217136 [0,0,0,1,0,0|3,0,0]=4 53 B15R2.283 BrC1CCC(CCC2CCCCC2)C1 Amb27773108 [0,0,0,1,0,0|2,0,1]=4 54 B15R2.283 CC1CCC(CNC2CCCCC2)O1 Amb27418042 [0,0,0,1,0,0|2,0,1]=4 55 B15R2.283 NC1=NCC(CCC2CCCCC2)O1 Amb27666129 [0,0,0,1,0,0|2,0,0]=3 56 B15R2.283 NC1CCC(CCC2CCCCC2)C1 Amb28143787 [0,0,0,1,0,0|2,0,1]=4 57 B15R2.283 O=C1C=C(CCC2CCCCC2)CC1 Amb28043534 [0,0,0,1,0,0|1,0,1]=3 58 B15R2.283 O=C1C=C(CCC2CCCCO2)CC1 Amb30036338 [0,0,0,1,0,0|2,0,1]=4 59 B15R2.283 O=C1CC(CCC2CCCCC2)NN1 Amb35694046 [0,0,0,1,0,0|3,0,0]=4 60 B15R2.283 O=C1CC(CNC2CCCCC2)CN1 Amb27959562 [0,0,0,1,0,0|3,0,0]=4 61 B15R2.283 O=C1CCC(CCC2CCCCO2)C1 Amb30036339 [0,0,0,1,0,0|2,0,0]=3 62 B15R2.283 O=C1CCC(CNC2CCCOC2)N1 Amb27619567 [0,0,0,1,0,0|3,0,0]=4 63 B15R2.283 O=C1CCC(CNC2CCCSC2)N1 Amb28203251 [0,0,0,1,0,0|3,0,0]=4 64 B15R2.283 O=C1CCC(CNC2CCSCC2)N1 Amb28072427 [0,0,0,1,0,0|3,0,0]=4 65 B15R2.283 O=C1CCC(COC2CCCCO2)N1 Amb27643607 [0,0,0,1,0,0|3,0,0]=4 66 B15R2.283 O=C1CCC(COC2CCCCO2)O1 Amb25994178 [0,0,0,1,0,0|2,0,0]=3 67 B15R2.283 O=C1CCC(COC2CCNCC2)N1 Amb23598366 [0,0,0,1,0,0|3,0,0]=4 68 B15R2.283 O=C1CCC(CO[C@H]2CCCNC2)N1 Amb27847476 [0,0,0,1,0,0|3,0,0]=4 69 B15R2.283 O=C1CCC(OCC2CCCCC2)C1 Amb27425441 [0,0,0,1,0,0|2,0,0]=3 70 B15R2.283 O=C1CCC(OCC2CCOCC2)C1 Amb28122530 [0,0,0,1,0,0|3,0,0]=4 71 B15R2.283 O=C1CCN(CCC2CCCCC2)C1 Amb19052752 [0,0,0,1,0,0|2,0,0]=3 72 B15R2.283 O=C1CCN(CCC2CCCCO2)C1 Amb27453089 [0,0,0,1,0,0|3,0,0]=4 73 B15R2.283 O=C1CC[C@@H](CNC2CCCCC2)N1 Amb27387009 [0,0,0,1,0,0|2,0,0]=3 74 B15R2.283 O=C1CC[C@@H](COC2CCCCO2)O1 Amb22887008 [0,0,0,1,0,0|2,0,0]=3 75 B15R2.283 O=C1COC(CCC2CCCCC2)C1 Amb35718642 [0,0,0,1,0,0|2,0,0]=3 76 B15R2.283 O=C1NCC(CCC2CCCCC2)O1 Amb27192133 [0,0,0,1,0,0|1,0,0]=2 77 B15R2.283 O=C1NCC(CCN2CCOCC2)O1 Amb33224181 [0,0,0,1,0,0|3,0,0]=4 78 B15R2.283 O=C1NCC(COC2CCCCO2)O1 Amb27814587 [0,0,0,1,0,0|3,0,0]=4 79 B15R2.283 O=C1NCC(CO[C@H]2CCCNC2)O1 Amb28251806 [0,0,0,1,0,0|3,0,0]=4 80 B15R2.283 O=C1NN=C(CCC2CCCCC2)O1 Amb27465852 [0,0,0,1,0,0|2,0,1]=4 81 B15R2.287 CC1CCCC1CNC2=CC(=O)CC2 Amb27754558 [0,0,0,1,0,0|2,0,1]=4 82 B15R2.287 CC1CCCC1NCC2CCC(=O)N2 Amb27417550 [0,0,0,1,0,0|2,0,0]=3 83 B15R2.287 CC1CCCC1NCC2CNC(=O)C2 Amb27959561 [0,0,0,1,0,0|3,0,0]=4 84 B15R2.287 CC1COCC1NCC2CCC(=O)N2 Amb30027390 [0,0,0,1,0,0|3,0,0]=4 85 B15R2.287 CC1CSCC1NCC2CCC(=O)N2 Amb28072025 [0,0,0,1,0,0|3,0,0]=4 86 B15R2.287 CC1CSCC1NCC2CNC(=O)O2 Amb28381993 [0,0,0,1,0,0|3,0,0]=4 87 B15R2.287 O=C1CCC(CNC2CCCC2O)N1 Amb27459259 [0,0,0,1,0,0|3,0,0]=4 88 B15R2.287 O=C1CCC(CN[C@@H]2CCC[C@H]2O)N1 Amb26426515 [0,0,0,1,0,0|3,0,0]=4 89 B15R2.305 CC1CCC(CC2CCCCC2N)O1 Amb27264609 [0,0,0,1,0,0|2,0,1]=4 90 B15R2.305 CC1CCCCC1CC2CCC(=O)N2 Amb28456117 [0,0,0,1,0,0|1,0,0]=2 91 B15R2.305 CC1CCCCN1CC2CCC(=O)N2 Amb27599963 [0,0,0,1,0,0|2,0,0]=3 92 B15R2.305 C[C@@H]1CNCCN1CC2CCC(=O)N2 Amb27590536 [0,0,0,1,0,0|3,0,0]=4 93 B15R2.305 C[C@H]1CNCCN1CC2CNC(=O)O2 Amb27395530 [0,0,0,1,0,0|3,0,0]=4 94 B15R2.1784 CCC1CCCCCC12CC(=O)CO2 Amb35718665 [0,0,0,1,0,0|2,0,0]=3 95 B15R2.1784 CCC1CCCCCC12CC(=O)NN2 Amb35685827 [0,0,0,1,0,0|3,0,0]=4 96 B15R2.1784 CCC1CCCCCC12CCC(=O)O2 Amb29865348 [0,0,0,1,0,0|0,0,0]=1 97 B15R2.1784 CCC1CCCCCC12CN=C(N)N2 Amb35681161 [0,0,0,1,0,0|3,0,0]=4 98 B15R2.1784 CCC1CCCCCC12CN=C(N)O2 Amb35671750 [0,0,0,1,0,0|2,0,0]=3 99 B15R2.1784 CCC1CCCCCC12CNC(=O)C2 Amb35671792 [0,0,0,1,0,0|2,0,0]=3 100 B15R2.1784 CCC1CCCCCC12CNC(=O)O2 Amb35734079 [0,0,0,1,0,0|1,0,0]=2 101 B15R2.1784 CCC1CCCCCC12COC(=O)N2 Amb35734077 [0,0,0,1,0,0|2,0,0]=3 102 B15R2.1784 CCC1CCCCCC12COC(N)=N2 Amb35671748 [0,0,0,1,0,0|3,0,0]=4 103 B15R2.2189 CCC1CCCCC1C2CC(=O)CO2 Amb35718651 [0,0,0,1,0,0|2,0,0]=3 104 B15R2.2189 CCC1CCCCC1C2CC(=O)NN2 Amb35686188 [0,0,0,1,0,0|3,0,0]=4 105 B15R2.2189 CCC1CCCCC1C2CCC(=O)O2 Amb27960098 [0,0,0,1,0,0|0,0,0]=1 106 B15R2.2189 CCC1CCCCC1C2CCC(N)C2 Amb28078255 [0,0,0,1,0,0|2,0,1]=4 107 B15R2.2189 CCC1CCCCC1C2CCC(O)C2 Amb27174752 [0,0,0,1,0,0|1,0,2]=4 108 B15R2.2189 CCC1CCCCC1C2CN=C(N)N2 Amb28197402 [0,0,0,1,0,0|3,0,0]=4 109 B15R2.2189 CCC1CCCCC1C2CN=C(N)O2 Amb27845295 [0,0,0,1,0,0|2,0,0]=3 110 B15R2.2189 CCC1CCCCC1C2COC(=O)N2 Amb27627198 [0,0,0,1,0,0|2,0,0]=3 111 B15R2.2189 CCC1COCCN1C2CCC(=O)C2 Amb28382666 [0,0,0,1,0,0|3,0,0]=4 112 B15R2.2189 COC1CCCCC1C2=CC(=O)CC2 Amb27953385 [0,0,0,1,0,0|2,0,1]=4 113 B15R2.2189 COC1CCCCC1C2CCC(=O)C2 Amb27656235 [0,0,0,1,0,0|2,0,0]=3 114 B15R2.2189 COC1CCCCC1N2CCC(=O)C2 Amb27435350 [0,0,0,1,0,0|3,0,0]=4 115 B15R2.6885 CC1CCCCCN1C2CCC(=O)C2 Amb27262300 [0,0,0,1,0,0|2,0,0]=3 116 B15R2.6885 CC1COCCCN1C2CCC(=O)C2 Amb27882171 [0,0,0,1,0,0|3,0,0]=4 117 B15R2.6887 NC1=NCC(C2CCCCCCC2)O1 Amb28059324 [0,0,0,1,0,0|2,0,0]=3 118 B15R2.6887 O=C1CC(C2CCCCCCC2)NN1 Amb35694145 [0,0,0,1,0,0|3,0,0]=4 119 B15R2.6887 O=C1COC(C2CCCCCCC2)C1 Amb35734237 [0,0,0,1,0,0|2,0,0]=3 120 B15R2.6887 O=C1CSC(C2CCCCCCC2)=N1 Amb28313289 [0,0,0,1,0,0|2,0,1]=4 121 B15R2.6887 O=C1NC(C2CCCCCCC2)CO1 Amb27466759 [0,0,0,1,0,0|2,0,0]=3 122 B15R2.6962 NC1=NC(CC2CCCCCC2)CO1 Amb27191583 [0,0,0,1,0,0|3,0,0]=4 123 B15R2.6962 O=C1C=C(NC2CCCCCC2)CC1 Amb27639845 [0,0,0,1,0,0|2,0,1]=4 124 B15R2.6962 O=C1CC(CC2CCCCCC2)CN1 Amb28146456 [0,0,0,1,0,0|2,0,0]=3 125 B15R2.6962 O=C1CC(CC2CCCCCC2)NN1 Amb35685982 [0,0,0,1,0,0|3,0,0]=4 126 B15R2.6962 O=C1CC(CN2CCCCCC2)CN1 Amb28469090 [0,0,0,1,0,0|3,0,0]=4 127 B15R2.6962 O=C1CCN(CC2CCCCCC2)C1 Amb28193219 [0,0,0,1,0,0|2,0,0]=3 128 B15R2.6962 O=C1CCN(CC2CCCSCC2)C1 Amb30030829 [0,0,0,1,0,0|3,0,0]=4 129 B15R2.6962 O=C1COC(CC2CCCCCC2)C1 Amb35717282 [0,0,0,1,0,0|2,0,0]=3 130 B15R2.6962 O=C1NC(CC2CCCCCC2)CO1 Amb27191590 [0,0,0,1,0,0|2,0,0]=3 131 B15R1.12 CCCCCCCCC1CCC(=O)CC1 Amb33718613 [0,0,0,0,0,1|1,0,0]=2 132 B15R1.106 CCCCCCCCC1CCCC(=O)O1 Amb22732769 [0,0,0,0,0,1|0,0,0]=1 133 B15R1.106 N#CCCCCCCC1CCCC(=O)C1 Amb6302011 [0,0,0,0,0,1|2,0,1]=4 134 B12R0.5 C=CCCCCCCCCCCC Amb2721661 [1,0,1,0,0,0|1,0,0]=3 135 B12R0.5 C=CCCCCCCCCCCN Amb24120407 [1,0,1,0,0,0|2,0,0]=4 136 B12R0.5 C=CCNCCCCCCCCC Amb7761762 [1,0,1,0,0,0|2,0,0]=4 137 B12R0.5 CCCCCCCCCCCC#N Amb8384531 [1,0,1,0,0,0|1,0,1]=4 138 B12R0.5 CCCCCCCCCCCC=O Amb3940434 [1,0,1,0,0,0|0,0,0]=2 139 B12R0.5 CCCCCCCCCCCCBr Amb6891945 [1,0,1,0,0,0|1,0,1]=4 140 B12R0.5 CCCCCCCCCCCCC Amb29471649 [1,0,1,0,0,0|1,0,1]=4 141 B12R0.5 CCCCCCCCCCCCC Amb8513362 [1,0,1,0,0,0|1,0,1]=4 142 B12R0.5 CCCCCCCCCCCCCl Amb4008392 [1,0,1,0,0,0|1,0,1]=4 143 B12R0.5 CCCCCCCCCCCCI Amb3940281 [1,0,1,0,0,0|1,0,1]=4 144 B12R0.5 CCCCCCCCCCCCN Amb3940463 [1,0,1,0,0,0|1,0,1]=4 145 B12R0.5 CCCCCCCCCCCCO Amb2721434 [1,0,1,0,0,0|0,0,1]=3 146 B12R0.5 CCCCCCCCCCCC[NH3+] Amb22049481 [1,0,1,0,0,0|1,0,1]=4 147 B12R0.5 CCCCCCCCCCCNC Amb32676722 [1,0,1,0,0,0|2,0,0]=4 148 B12R0.5 CCCCCCCCCCCNC Amb9787074 [1,0,1,0,0,0|2,0,0]=4 149 B12R0.5 CCCCCCCCCNCCC Amb7794670 [1,0,1,0,0,0|1,0,1]=4 150 B12R0.5 CCCCCCCCCSCCO Amb7968787 [1,0,1,0,0,0|1,0,1]=4 151 B12R0.5 CCOCCCCCCCCCO Amb22233218 [1,0,1,0,0,0|1,0,1]=4 152 B12R0.5 NCCCCCCCCCCCO Amb26304136 [1,0,1,0,0,0|1,0,1]=4 153 B12R0.5 NCCCCCCCCCCCO Amb30988059 [1,0,1,0,0,0|1,0,1]=4 154 B12R0.5 OCCCCCCCCCCCBr Amb3372065 [1,0,1,0,0,0|1,0,1]=4 155 B12R0.5 OCCCCCCCCCCCO Amb15692712 [1,0,1,0,0,0|1,0,1]=4 156 B12R0.5 OCCCCCCCCCCCS Amb8396653 [1,0,1,0,0,0|1,0,1]=4 157 B12R0.234 C#CCCCCCCCCC(=O)O Amb536933 [1,0,1,0,0,0|0,0,2]=4 158 B12R0.234 C=C(Br)CCCCCCCCCC Amb6298937 [1,0,1,0,0,0|2,0,0]=4 159 B12R0.234 C=C(Cl)CCCCCCCCCC Amb6298931 [1,0,1,0,0,0|2,0,0]=4 160 B12R0.234 C=CCCCCCCCCC(=O)O Amb533736 [1,0,1,0,0,0|0,0,2]=4 161 B12R0.234 CC#CCCCCCCCC(=O)O Amb6565389 [1,0,1,0,0,0|0,0,2]=4 162 B12R0.234 CC(=O)OCCCCCCCCBr Amb24063233 [1,0,1,0,0,0|1,0,0]=3 163 B12R0.234 CCCCCCCCCCB(O)O Amb19958787 [1,0,1,0,0,0|1,0,1]=4 164 B12R0.234 CCCCCCCCCCC(=O)Cl Amb9787304 [1,0,1,0,0,0|1,0,0]=3 165 B12R0.234 CCCCCCCCCCC(=O)O Amb3941499 [1,0,1,0,0,0|0,0,0]=2 166 B12R0.234 CCCCCCCCCCC(C)=O Amb6366439 [1,0,1,0,0,0|1,0,0]=3 167 B12R0.234 CCCCCCCCCOC(=S)[S-] Amb534232 [1,0,1,0,0,0|1,1,0]=4 168 B12R0.234 CCCCCCCCCOC(C)=O Amb6366259 [1,0,1,0,0,0|0,0,0]=2 169 B12R0.234 CCCCCCCCOCC(=O)O Amb7790043 [1,0,1,0,0,0|1,0,0]=3 170 B12R0.234 CCCCCCCC\C=C\C(=O)O Amb33987634 [1,0,1,0,0,0|0,0,2]=4 171 B12R0.234 CCOCCOCCCCC(=O)O Amb9207787 [1,0,1,0,0,0|2,0,0]=4 172 B12R0.234 N#CCCCCCCCCC(=O)O Amb4008315 [1,0,1,0,0,0|1,0,1]=4 173 B12R0.234 NCCCCCCCCCC(=O)O Amb2229638 [1,0,1,0,0,0|1,0,0]=3 174 B12R0.234 NCCCCCCCCCC(=O)O Amb31030991 [1,0,1,0,0,0|1,0,0]=3 175 B12R0.234 O=C(O)CCCCCCCCCBr Amb4014619 [1,0,1,0,0,0|1,0,0]=3 176 B12R0.234 O=C(O)CCCCCCCCCO Amb3940517 [1,0,1,0,0,0|1,0,0]=3 177 B12R0.1 CCCCCCCCC(O)CCC Amb9787107 [1,0,1,0,0,0|0,0,1]=3 178 B12R0.248 C=CC(=O)OCCCCCCCC Amb2778626 [1,0,1,0,0,0|0,0,2]=4 179 B12R0.248 CCCCCCCCCC(=O)NN Amb6530432 [1,0,1,0,0,0|2,0,0]=4 180 B12R0.248 CCCCCCCCCC(=O)NO Amb33548521 [1,0,1,0,0,0|2,0,0]=4 181 B12R0.248 CCCCCCCCCC(=O)OC Amb4378003 [1,0,1,0,0,0|1,0,0]=3 182 B12R0.248 CCCCCCCCNC(=O)CBr Amb17329848 [1,0,1,0,0,0|2,0,0]=4 183 B12R0.248 CCCCCCCCNC(=O)CCl Amb9786173 [1,0,1,0,0,0|2,0,0]=4 184 B12R0.248 CCCCCCCCNC(=O)CN Amb24115163 [1,0,1,0,0,0|2,0,0]=4 185 B12R0.248 CCCCCCCCOC(=O)CN Amb2688623 [1,0,1,0,0,0|1,0,0]=3 186 B12R0.248 CCCCCCCCOC(=O)C[NH3+] Amb22049491 [1,0,1,0,0,0|1,0,0]=3 187 B12R0.248 COC(=O)CCCCCCCCBr Amb34913614 [1,0,1,0,0,0|2,0,0]=4 188 B12R0.248 COC(=O)CCCCCCCCO Amb17616943 [1,0,1,0,0,0|2,0,0]=4 189 B12R0.57 CCCCCCCCC(CC)CO Amb28984598 [1,0,1,0,0,0|0,0,2]=4 190 B12R0.4 CCCCCCCC(C)OC(C)=O Amb22734609 [1,0,1,0,0,0|0,0,0]=2 191 B12R0.4 CCCCCCOC(C)NC(C)=O Amb24096324 [1,0,1,0,0,0|2,0,0]=4 192 B12R1.7 CCCC#CCC1CCC(=O)O1 Amb22172847 [2,0,0,0,0,0|0,0,2]=4 193 B12R1.7 CCCCCCC1CCC(=O)O1 Amb569753 [2,0,0,0,0,0|0,0,0]=2 194 B12R1.37 CCCCCCCC1CCCN1 Amb3788212 [2,0,0,0,0,0|1,0,1]=4 195 B12R1.37 CCCCCCCC1OCCO1 Amb25368281 [2,0,0,0,0,0|1,0,1]=4 196 B12R1.37 CCCCCNCC1CCCO1 Amb6708057 [2,0,0,0,0,0|1,0,1]=4 197 B14R0.68 C=C(F)CCCCCCCCCC(=O)O Amb22641506 [0,1,1,0,0,0|0,0,2]=4 198 B14R0.68 CC(C)CCCCCCC\C=C/C(=O)O Amb22586579 [0,1,1,0,0,0|0,0,2]=4 199 B14R0.68 CC(O)CCCCCCCCCC(=O)[O-] Amb30988058 [0,1,1,0,0,0|0,0,1]=3 200 B14R0.68 O=C(O)CCCCCCCCCC(=O)O Amb10807546 [0,1,1,0,0,0|1,0,1]=4 201 B14R0.153 CCCCC(=O)NCCCCCC(=O)O Amb6243765 [0,1,1,0,0,0|1,0,1]=4 202 B14R0.231 CCCCCC(=O)CCCCCC(=O)O Amb6305237 [0,1,1,0,0,0|0,0,1]=3 203 B14R0.305 COC(=O)CCCCCCCCC(=O)O Amb6366515 [0,1,1,0,0,0|1,0,1]=4 204 B14R0.305 O=C(O)CCCCCCCCC(O)CO Amb9786104 [0,1,1,0,0,0|1,0,0]=3 205 B14R0.337 C#CC(O)CCCCCCCCCCC Amb22345519 [0,1,1,0,0,0|1,0,1]=4 206 B14R0.337 CCCCCCCCCCCC(=O)NN Amb6572508 [0,1,1,0,0,0|1,0,0]=3 207 B14R0.337 CCCCCCCCCCCC(=O)NO Amb31031031 [0,1,1,0,0,0|0,0,0]=2 208 B14R0.337 CCCCCCCCCCCC(=O)OC Amb4378331 [0,1,1,0,0,0|0,0,0]=2 209 B14R0.337 CCCCCCCCCCNC(=O)CCl Amb3366789 [0,1,1,0,0,0|2,0,0]=4 210 B14R0.337 CCCCCCCCCCOC(=O)CBr Amb1103529 [0,1,1,0,0,0|2,0,0]=4 211 B14R0.337 CCCCCCCCCCOC(=O)CC Amb9786156 [0,1,1,0,0,0|2,0,0]=4 212 B14R0.337 CCCCCCCCCCOC(=O)CCl Amb6618965 [0,1,1,0,0,0|2,0,0]=4 213 B14R0.337 COC(=O)CCCCCCCCCCBr Amb3354793 [0,1,1,0,0,0|1,0,0]=3 214 B14R0.337 COC(=O)CCCCCCCCCCCl Amb22522963 [0,1,1,0,0,0|1,0,0]=3 215 B14R0.337 COC(=O)CCCCCCCCCCN Amb23575681 [0,1,1,0,0,0|1,0,0]=3 216 B14R0.340 CCCCCCCCCCC(Br)C(=O)O Amb8513066 [0,1,1,0,0,0|0,0,0]=2 217 B14R0.340 CCCCCCCCCCC(N)C(=O)O Amb21858489 [0,1,1,0,0,0|0,0,0]=2 218 B14R0.340 CCCCCCCCCCC(O)C(=O)O Amb3987639 [0,1,1,0,0,0|0,0,0]=2 219 B14R0.340 CCCCCCCCCC[C@@H](N)C(=O)O Amb22745407 [0,1,1,0,0,0|0,0,0]=2 220 B14R0.340 CCCCCCCCCC[C@H](N)C(=O)O Amb33836077 [0,1,1,0,0,0|0,0,0]=2 221 B14R0.344 CCCCCCCCC(O)C#CC(=O)O Amb17779806 [0,1,1,0,0,0|0,0,2]=4 222 B14R0.344 CCCCCCCCC(O)CCC(=O)O Amb33313442 [0,1,1,0,0,0|0,0,0]=2 223 B14R0.344 CCCCCCCCC(O)CCC(=O)[O-] Amb32652042 [0,1,1,0,0,0|0,0,1]=3 224 B14R0.344 CCCCCCCCS(=O)CCC(=O)O Amb1038995 [0,1,1,0,0,0|1,0,0]=3 225 B14R0.391 CCCCCCCCCC(C)CC(=O)O Amb28963737 [0,1,1,0,0,0|0,0,0]=2 226 B14R0.391 CCCCCCCCCC(O)CC(=O)O Amb21928747 [0,1,1,0,0,0|0,0,0]=2 227 B14R0.391 CCCCCCCCNC(=O)CC(=O)O Amb28905868 [0,1,1,0,0,0|1,0,1]=4 228 B14R0.394 C#CCCCCCCCCCCC(=O)O Amb1396957 [0,1,1,0,0,0|0,0,1]=3 229 B14R0.394 C=CCCCCCCCCCCC(=O)O Amb6297458 [0,1,1,0,0,0|0,0,1]=3 230 B14R0.394 CCCCCCCCCCCCB(O)O Amb13890365 [0,1,1,0,0,0|1,0,1]=4 231 B14R0.394 CCCCCCCCCCCCC(=O)O Amb8513363 [0,1,1,0,0,0|0,0,0]=2 232 B14R0.394 CCCCCCCCCCCCC(C)=O Amb22730728 [0,1,1,0,0,0|1,0,0]=3 233 B14R0.394 CCCCCCCCCCCCC(C)O Amb8513348 [0,1,1,0,0,0|1,0,1]=4 234 B14R0.394 CCCCCCCCCCCOC(C)=O Amb6366704 [0,1,1,0,0,0|1,0,0]=3 235 B14R0.394 N#CCCCCCCCCCCC(=O)O Amb4014736 [0,1,1,0,0,0|0,0,1]=3 236 B14R0.394 NCCCCCCCCCCCC(=O)O Amb3940462 [0,1,1,0,0,0|0,0,0]=2 237 B14R0.394 O=C(O)CCCCCCCCCCCBr Amb3940328 [0,1,1,0,0,0|0,0,0]=2 238 B14R0.394 O=C(O)CCCCCCCCCCCO Amb3940329 [0,1,1,0,0,0|0,0,0]=2 239 B14R0.394 O=C(O)COCCOCCCCCCCl Amb33719366 [0,1,1,0,0,0|2,0,0]=4 240 B14R0.394 [N-]=[N+]=NCCCCCCCCCC(=O)O Amb32668376 [0,1,1,0,0,0|2,0,0]=4 241 B14R0.393 CCCCCCCCCCC(=O)CCC Amb9031611 [0,1,1,0,0,0|1,0,0]=3 242 B14R0.393 CCCCCCCCCCC(=O)OCC Amb8513621 [0,1,1,0,0,0|1,0,0]=3 243 B14R0.393 CCCCCCCCCCS(=O)CCO Amb1039004 [0,1,1,0,0,0|2,0,0]=4 244 B14R0.393 CCCCCCCCCNC(=O)CC#N Amb6531689 [0,1,1,0,0,0|1,0,1]=4 245 B14R0.393 CCCCCCCNCCC(=O)NCC Amb20171956 [0,1,1,0,0,0|2,0,0]=4 246 B14R0.393 CCCCCCCNCCC(=O)OCC Amb20171955 [0,1,1,0,0,0|2,0,0]=4 247 B14R0.393 CCOC(=O)CCCCCCCCCBr Amb21945748 [0,1,1,0,0,0|2,0,0]=4 248 B14R0.393 CCOC(=O)CCCCCCCCCN Amb33804740 [0,1,1,0,0,0|2,0,0]=4 249 B14R1.40 CCCCCCCCCC1OCCO1 Amb8383458 [1,1,0,0,0,0|1,0,1]=4 250 B14R1.40 CCCCCCCCNC1CCCC1 Amb7757201 [1,1,0,0,0,0|1,0,1]=4 251 B14R1.86 CCCCCC(C)NCC1CCCO1 Amb6721738 [1,1,0,0,0,0|1,0,1]=4 252 B14R1.169 CCCCCCCC(O)C1CCCC1 Amb533025 [1,1,0,0,0,0|1,0,1]=4 253 B14R1.216 CCCCCCCCC1CCCC1=O Amb6337658 [1,1,0,0,0,0|1,0,1]=4 254 B16R1.27 CCCCCCCCCC1CCCC(=O)O1 Amb10807863 [0,1,0,0,0,1|0,0,0]=2 255 B16R1.17548 CCCCCCCCOC1CCS(=O)(=O)C1 Amb2548679 [0,2,0,0,0,0|2,0,0]=4 256 B14R1.26 CCCCCCCC1CCCC(=O)O1 Amb767091 [0,0,1,1,0,0|0,0,0]=2 257 B14R1.96 CCC1CCCCN1CCCC(=O)Cl Amb17143700 [0,0,1,1,0,0|2,0,0]=4 258 B14R1.96 CCC1CCCCN1CCCC(=O)O Amb5775446 [0,0,1,1,0,0|1,0,0]=3 259 B14R1.96 CCC1CCCCN1CCCC(N)=O Amb17143194 [0,0,1,1,0,0|2,0,0]=4 260 B14R1.269 CCCC1CCCCCC1NC(C)=O Amb2227902 [0,0,1,1,0,0|2,0,0]=4 261 B14R1.269 CCC[C@H]1CCCCC[C@@H]1NC(C)=O Amb27783350 [0,0,1,1,0,0|2,0,0]=4 262 B14R1.275 CCCC1CCCCCCCC(=O)N1 Amb28408987 [0,0,1,1,0,0|1,0,0]=3 263 B14R1.333 O=C(O)CCC1CCCCCCC1=O Amb27751434 [0,0,1,1,0,0|1,0,1]=4 264 B14R1.422 O=C(O)CCCCCC1CCCCC1 Amb22230076 [0,0,1,1,0,0|0,0,0]=2 265 B14R1.422 O=C(O)CCCCCC1CCCCN1 Amb32430378 [0,0,1,1,0,0|1,0,0]=3 266 B14R1.422 O=C(O)CCCCCN1CCOCC1 Amb33079998 [0,0,1,1,0,0|2,0,0]=4 267 B14R1.422 O=C(O)CCCCOC1CCCCC1 Amb9207782 [0,0,1,1,0,0|1,0,0]=3 268 B14R1.422 O=C(O)CCCNCC1CCCCC1 Amb6274295 [0,0,1,1,0,0|1,0,0]=3 269 B14R1.422 O=C(O)CCCSCC1CCCNC1 Amb17503127 [0,0,1,1,0,0|2,0,0]=4 270 B14R1.422 O=C(O)CCCSCC1CCNCC1 Amb17503028 [0,0,1,1,0,0|2,0,0]=4 271 B14R1.422 O=C(O)CCNCCN1CCCCC1 Amb9326457 [0,0,1,1,0,0|2,0,0]=4 272 B14R1.422 O=C(O)CCSCCN1CCCCC1 Amb6745725 [0,0,1,1,0,0|2,0,0]=4 273 B14R1.422 O=C(O)CNCCCN1CCCCC1 Amb20152206 [0,0,1,1,0,0|2,0,0]=4 274 B14R1.482 O=C(O)CCN1CCCCC1CCO Amb6637635 [0,0,1,1,0,0|2,0,0]=4 275 B14R1.4408 O=C1C=CCCCCCCCCCC1 Amb25793577 [0,0,1,1,0,0|1,0,1]=4 276 B14R1.4408 O=C1CCCCCCCCCCCN1 Amb9825846 [0,0,1,1,0,0|1,0,0]=3 277 B14R1.4408 O=C1CCCCCCCCCCCO1 Amb9825923 [0,0,1,1,0,0|0,0,0]=2 278 B14R1.4408 O=C1CCCCCCCCNCCO1 Amb28187014 [0,0,1,1,0,0|1,0,0]=3 279 B14R1.4408 O=C1CCCCCCCNCCCO1 Amb27746900 [0,0,1,1,0,0|1,0,0]=3 280 B14R1.4408 O=C1NCCCCCCCCCCN1 Amb28130432 [0,0,1,1,0,0|2,0,0]=4 281 B14R1.4408 O=C1OCCCCCCCCCCO1 Amb24459843 [0,0,1,1,0,0|1,0,0]=3 282 B14R1.4408 OC1CCCCCCCCCCCC1 Amb27598545 [0,0,1,1,0,0|1,0,1]=4 283 B14R1.4728 CCCCCCCCC1CC1C(=O)O Amb1033024 [0,0,1,1,0,0|0,0,0]=2 284 B14R1.4808 C=C1CCCCCCCCC1C(=O)O Amb27592138 [0,0,1,1,0,0|0,0,2]=4 285 B14R1.6343 O=C(O)CCCCN1CCCNCC1 Amb17479032 [0,0,1,1,0,0|2,0,0]=4 286 B14R1.6343 O=C(O)CNCCN1CCCCCC1 Amb20573254 [0,0,1,1,0,0|2,0,0]=4 287 B14R1.6388 O=C(O)CCCCCCCCC1CC1 Amb32645995 [0,0,1,1,0,0|0,0,0]=2 288 B14R1.6414 NC(=O)C1CCCCCCCCCC1 Amb27984828 [0,0,1,1,0,0|1,0,0]=3 289 B14R1.6414 O=C(O)C1C=CCCCCCCCC1 Amb27231809 [0,0,1,1,0,0|0,0,2]=4 290 B14R1.6414 O=C(O)C1CCCCCCCCCC1 Amb4034592 [0,0,1,1,0,0|0,0,0]=2 291 B14R1.6414 O=C(O)C1CCCCCCCCCN1 Amb27983623 [0,0,1,1,0,0|1,0,0]=3 292 B14R1.6444 O=C(O)C=C1CCCCCCCCC1 Amb28118972 [0,0,1,1,0,0|0,0,2]=4 293 B14R1.882 CCCCCCCC1CCCCC1O Amb534143 [0,0,1,1,0,0|1,0,1]=4 294 B14R1.1406 C#CCCC1(O)CCCCCC1CC Amb35721151 [0,0,1,1,0,0|1,0,1]=4 295 B14R1.2470 C#CCCC(O)C1CCCCCCC1 Amb27667705 [0,0,1,1,0,0|1,0,1]=4 296 B14R1.4889 O=C1CCCCCCCCC(O)CC1 Amb27824496 [0,0,1,1,0,0|0,0,0]=2 297 B14R1.14 CCCCCCCC1CCC(=O)CC1 Amb30634329 [0,0,1,1,0,0|1,0,0]=3 298 B14R1.247 CC1CCCCCCCCCCC1=O Amb540121 [0,0,1,1,0,0|1,0,0]=3 299 B14R1.247 O=C1CCCCCCCCCCC1Br Amb4017597 [0,0,1,1,0,0|2,0,0]=4 300 B14R1.247 O=C1CCCCCCCCCCC1O Amb4017908 [0,0,1,1,0,0|2,0,0]=4 301 B14R1.716 O=C(CCl)NCCCC1CCCCC1 Amb19514479 [0,0,1,1,0,0|2,0,0]=4 302 B14R1.837 CCC(=O)NCCC1CCCCC1O Amb33229061 [0,0,1,1,0,0|2,0,0]=4 303 B14R1.855 CCC1CCCCCCC1C(=O)NC Amb27621102 [0,0,1,1,0,0|2,0,0]=4 304 B14R1.7633 O=C(CF)C1CCCCCCCCC1 Amb27757721 [0,0,1,1,0,0|2,0,0]=4 305 B14R1.7684 O=C(CCl)NCC1CCCCCCC1 Amb28323245 [0,0,1,1,0,0|2,0,0]=4 306 B14R1.327 CC(=O)CN(C)C1CCCCCC1C Amb35681313 [0,0,1,1,0,0|2,0,0]=4 307 B14R1.443 CCCCCCC1CC(=O)C=C(C)C1 Amb20621618 [0,0,1,1,0,0|1,0,1]=4 308 B14R2.12 CCC1CCCCC12CC(=O)CO2 Amb35726630 [1,0,0,1,0,0|2,0,0]=4 309 B14R2.12 CCC1CCCCC12COC(=O)N2 Amb27177124 [1,0,0,1,0,0|2,0,0]=4 310 B14R2.12 CCC1CNCCC12CNC(=O)O2 Amb27828570 [1,0,0,1,0,0|2,0,0]=4 311 B14R2.19 NC1=NCC(CC2CCCCC2)O1 Amb28044577 [1,0,0,1,0,0|2,0,0]=4 312 B14R2.19 O=C1C=C(CC2CCCCC2)CC1 Amb28127660 [1,0,0,1,0,0|1,0,1]=4 313 B14R2.19 O=C1CC(CC2CCCCC2)CN1 Amb28363714 [1,0,0,1,0,0|2,0,0]=4 314 B14R2.19 O=C1CCC(CC2CCCCC2)N1 Amb25095146 [1,0,0,1,0,0|1,0,0]=3 315 B14R2.19 O=C1CCC(CC2CCCCO2)N1 Amb35741218 [1,0,0,1,0,0|2,0,0]=4 316 B14R2.19 O=C1CCC(CC2CCOCC2)C1 Amb27410300 [1,0,0,1,0,0|2,0,0]=4 317 B14R2.19 O=C1CCC(SC2CCCCC2)C1 Amb28430423 [1,0,0,1,0,0|2,0,0]=4 318 B14R2.19 O=C1CCN(CC2CCCCC2)C1 Amb8954485 [1,0,0,1,0,0|2,0,0]=4 319 B14R2.19 O=C1CC[C@H](CN2CCCCC2)N1 Amb28068822 [1,0,0,1,0,0|2,0,0]=4 320 B14R2.19 O=C1COC(CC2CCCCC2)C1 Amb35734248 [1,0,0,1,0,0|2,0,0]=4 321 B14R2.19 O=C1NC(CC2CCCCC2)CO1 Amb27609278 [1,0,0,1,0,0|2,0,0]=4 322 B14R2.19 O=C1NCC(CC2CCCCC2)O1 Amb24438974 [1,0,0,1,0,0|1,0,0]=3 323 B14R2.19 O=C1N[C@@H](CC2CCCCC2)CO1 Amb28316432 [1,0,0,1,0,0|2,0,0]=4 324 B14R2.19 O=C1OCC(SC2CCCCC2)O1 Amb27388310 [1,0,0,1,0,0|2,0,0]=4 325 B14R2.59 CCCC1COCC12CCC(=O)O2 Amb35631905 [1,0,0,1,0,0|1,0,0]=3 326 B14R2.59 CCCC1COCC12CNC(=O)O2 Amb35616381 [1,0,0,1,0,0|2,0,0]=4 327 B14R2.97 CCC1CCCN1C2CCC(=O)C2 Amb28201523 [1,0,0,1,0,0|2,0,0]=4 328 B14R2.99 CCC1CCN1CC2CCC(=O)N2 Amb28253271 [1,0,0,1,0,0|2,0,0]=4 329 B14R2.252 O=C1CC(CCC2CCCC2)CN1 Amb25881615 [1,0,0,1,0,0|2,0,0]=4 330 B14R2.252 O=C1CCC(CCC2CCCO2)C1 Amb28058983 [1,0,0,1,0,0|2,0,0]=4 331 B14R2.252 O=C1CCC(SCC2CCCC2)C1 Amb27180493 [1,0,0,1,0,0|2,0,0]=4 332 B14R2.252 O=C1CCN(CCC2CCCC2)C1 Amb18181425 [1,0,0,1,0,0|2,0,0]=4 333 B14R2.252 O=C1CC[C@@H](CNC2CCCC2)N1 Amb27179953 [1,0,0,1,0,0|2,0,0]=4 334 B14R2.252 O=C1NC(CCC2CCCC2)CO1 Amb33481457 [1,0,0,1,0,0|2,0,0]=4 335 B14R2.252 O=C1NCC(CCC2CCCC2)O1 Amb33379956 [1,0,0,1,0,0|1,0,0]=3 336 B14R2.252 O=C1NCC(CCN2CCCC2)O1 Amb33447433 [1,0,0,1,0,0|2,0,0]=4 337 B14R2.252 O=C1NCC(CSC2CCCC2)O1 Amb28078432 [1,0,0,1,0,0|2,0,0]=4 338 B14R2.256 CC1CCCCC1C2CC(=O)CO2 Amb35718687 [1,0,0,1,0,0|2,0,0]=4 339 B14R2.256 CC1CCCCC1C2NCC(=O)N2 Amb27396676 [1,0,0,1,0,0|2,0,0]=4 340 B14R2.256 CN1CCCCC1C2CNC(=O)O2 Amb33322434 [1,0,0,1,0,0|2,0,0]=4 341 B14R2.256 O=C1OCC(C2CCCCC2O)O1 Amb27763699 [1,0,0,1,0,0|2,0,0]=4 342 B14R2.259 CC1CCCN1CC2CCC(=O)N2 Amb28367662 [1,0,0,1,0,0|2,0,0]=4 343 B14R2.259 CN1CCCC1CC2CNC(=O)O2 Amb33320332 [1,0,0,1,0,0|2,0,0]=4 344 B14R2.4359 NC1=NCC(C2CCCCCC2)O1 Amb27630215 [1,0,0,1,0,0|2,0,0]=4 345 B14R2.4359 O=C1CC(C2CCCCCC2)CN1 Amb26050336 [1,0,0,1,0,0|2,0,0]=4 346 B14R2.4359 O=C1CCC(N2CCCCCC2)C1 Amb27618276 [1,0,0,1,0,0|2,0,0]=4 347 B14R2.4359 O=C1COC(C2CCCCCC2)C1 Amb35734262 [1,0,0,1,0,0|2,0,0]=4 348 B14R2.4359 O=C1NC(C2CCCCCC2)CO1 Amb25140534 [1,0,0,1,0,0|2,0,0]=4 349 B14R2.4359 O=C1NCC(C2CCCCCC2)O1 Amb27474282 [1,0,0,1,0,0|1,0,0]=3 350 B14R2.4525 O=C1NC2C(O)CCCCCC2O1 Amb27868398 [1,0,0,1,0,0|2,0,0]=4 351 B14R2.8409 CC1CCCCCC12CC(=O)CO2 Amb35718664 [1,0,0,1,0,0|2,0,0]=4 352 B14R2.8409 CC1CCCCCC12CCC(=O)O2 Amb35718033 [1,0,0,1,0,0|0,0,0]=2 353 B14R2.8409 CC1CCCCCC12CN=C(N)O2 Amb35671749 [1,0,0,1,0,0|2,0,0]=4 354 B14R2.8409 CC1CCCCCC12CNC(=O)C2 Amb35734087 [1,0,0,1,0,0|2,0,0]=4 355 B14R2.8409 CC1CCCCCC12CNC(=O)O2 Amb35734078 [1,0,0,1,0,0|1,0,0]=3 356 B14R2.8409 CC1CCCCCC12COC(=O)N2 Amb35734076 [1,0,0,1,0,0|2,0,0]=4 357 B14R2.28862 O=C1CC2(CCCCCCC2)CN1 Amb28456848 [1,0,0,1,0,0|2,0,0]=4 358 B14R2.28862 O=C1COC2(CCCCCCC2)C1 Amb35721869 [1,0,0,1,0,0|2,0,0]=4 359 B14R2.48 CC1CCCCCC1C2CCNC2 Amb35681111 [1,0,0,1,0,0|2,0,0]=4 360 B14R2.50 CC1CCCCC1NC2C=CCC2 Amb30006887 [1,0,0,1,0,0|2,0,0]=4 361 B14R2.50 CC1CNCCC1CC2CCCO2 Amb28062705 [1,0,0,1,0,0|1,0,1]=4 362 B14R2.83 CCC1CCCC1NC2C=CCC2 Amb30006885 [1,0,0,1,0,0|2,0,0]=4 363 B14R2.101 C1=CC(NCC2CCCCC2)CC1 Amb35735988 [1,0,0,1,0,0|2,0,0]=4 364 B14R2.101 C1=CCC(CCC2CCCCC2)C1 Amb35594344 [1,0,0,1,0,0|1,0,1]=4 365 B14R2.101 C1CCC(CCC2CCCN2)CC1 Amb3788336 [1,0,0,1,0,0|1,0,1]=4 366 B14R2.101 C1CCC(CCC2CCCO2)NC1 Amb27599834 [1,0,0,1,0,0|1,0,1]=4 367 B14R2.101 C1CCC(CCC2CCNC2)CC1 Amb21959204 [1,0,0,1,0,0|2,0,0]=4 368 B14R2.101 C1CCC(CCC2OCCO2)CC1 Amb578537 [1,0,0,1,0,0|1,0,1]=4 369 B14R2.101 C1CCC(CC[C@@H]2CCCN2)CC1 Amb27608671 [1,0,0,1,0,0|1,0,1]=4 370 B14R2.101 C1CCC(NCC2CCCO2)CC1 Amb838667 [1,0,0,1,0,0|1,0,1]=4 371 B14R2.101 C1CCC(SC[C@H]2CCCO2)CC1 Amb27433330 [1,0,0,1,0,0|1,0,1]=4 372 B14R2.101 C1COC(CCC2CCNCC2)C1 Amb28288964 [1,0,0,1,0,0|1,0,1]=4 373 B14R2.322 C1CCC(CCCC2CCCN2)C1 Amb33374911 [1,0,0,1,0,0|1,0,1]=4 374 B14R2.322 C1CCC(CCCC2CCNC2)C1 Amb33374574 [1,0,0,1,0,0|2,0,0]=4 375 B14R2.322 C1CCC(CNCC2CCCO2)C1 Amb8954036 [1,0,0,1,0,0|1,0,1]=4 376 B14R2.384 CC1CCCC1NCC2CCCO2 Amb24364404 [1,0,0,1,0,0|1,0,1]=4 377 B14R2.384 OC1CCCC1CCC2CCCO2 Amb25815305 [1,0,0,1,0,0|1,0,1]=4 378 B14R2.384 O[C@@H]1CCC[C@H]1CCC2CCCO2 Amb32944196 [1,0,0,1,0,0|1,0,1]=4 379 B14R2.726 OC1CCC1CCCC2CCCO2 Amb33213328 [1,0,0,1,0,0|1,0,1]=4 380 B14R2.1083 CCC1CCCCCC12CCNC2 Amb35733871 [1,0,0,1,0,0|2,0,0]=4 381 B14R2.1255 C1CCCC(C2CCCO2)NCC1 Amb27246051 [1,0,0,1,0,0|1,0,1]=4 382 B14R2.2563 CCCNCC1CCC2CC1CO2 Amb32993529 [1,0,0,1,0,0|1,0,1]=4 383 B14R2.2840 C1=CC(NC2CCCCCC2)CC1 Amb30006891 [1,0,0,1,0,0|2,0,0]=4 384 B14R2.2840 C1=CCC(CC2CCCCCC2)C1 Amb35594346 [1,0,0,1,0,0|1,0,1]=4 385 B14R2.2840 C1CCCC(CC2CCCN2)CC1 Amb24447478 [1,0,0,1,0,0|1,0,1]=4 386 B14R2.2840 C1CCCC(CC2CCNC2)CC1 Amb28206467 [1,0,0,1,0,0|2,0,0]=4 387 B14R2.436 O=C1CC(CCC2CCCCC2)N1 Amb27785850 [0,0,0,1,1,0|1,0,0]=3 388 B14R2.663 CC1CCCCC1OC2CC(=O)C2 Amb27394548 [0,0,0,1,1,0|2,0,0]=4 389 B14R2.2967 CCC1CCCCC1C2CC(=O)N2 Amb27621266 [0,0,0,1,1,0|1,0,0]=3 390 B14R2.8940 O=C1CC(C2CCCCCCC2)N1 Amb28397918 [0,0,0,1,1,0|1,0,0]=3 391 B14R2.11726 CCC1CCCCCC12CC(=O)N2 Amb35734085 [0,0,0,1,1,0|1,0,0]=3 392 B14R2.31 O=C1CCC1CCN2CCCCC2 Amb32697991 [0,0,0,1,1,0|1,0,0]=3 393 B14R2.31 O=C1CCC1CCN2CCNCC2 Amb32697982 [0,0,0,1,1,0|2,0,0]=4 394 B14R2.31 O=C1CCC1CCN2CCOCC2 Amb32697970 [0,0,0,1,1,0|2,0,0]=4 395 B14R2.31 OC1CCC1CCC2CCCCC2 Amb32945472 [0,0,0,1,1,0|0,0,2]=4 396 B14R2.4911 OC12CCCCCCCCC1CC2 Amb25793457 [0,0,0,1,1,0|0,0,2]=4 397 B16R2.26 CCC1CCCCN1C2CCC(=O)CC2 Amb27627754 [0,0,0,1,0,1|2,0,0]=4 398 B16R2.99 CCCC1CCCN1C2CCC(=O)CC2 Amb27790023 [0,0,0,1,0,1|2,0,0]=4 399 B16R2.132 O=C1CCC(OCC2CCCCC2)CC1 Amb27465598 [0,0,0,1,0,1|2,0,0]=4 400 B16R2.33330 O=C1CCC(OC2CCCCCC2)CC1 Amb28423693 [0,0,0,1,0,1|2,0,0]=4 401 B16R2.33330 O=C1CCN(CC2CCCCCC2)CC1 Amb28193221 [0,0,0,1,0,1|2,0,0]=4 402 B16R2.168 CCC1CCCN1CC2CCCC(=O)C2 Amb30013937 [0,0,0,1,0,1|2,0,0]=4 403 B16R2.252 O=C1CCCC(CCC2CCCCC2)C1 Amb27660078 [0,0,0,1,0,1|1,0,0]=3 404 B16R2.252 O=C1CCCC(CCC2CCCCO2)C1 Amb30036342 [0,0,0,1,0,1|2,0,0]=4 405 B16R2.252 O=C1CCCC(COC2CCCCC2)C1 Amb35699127 [0,0,0,1,0,1|2,0,0]=4 406 B16R2.252 O=C1CCCC(CSC2CCCCC2)C1 Amb35699405 [0,0,0,1,0,1|2,0,0]=4 407 B16R2.252 O=C1CCOC(CCC2CCCCC2)C1 Amb27192132 [0,0,0,1,0,1|1,0,0]=3 408 B16R2.1505 CCC1CCCCCC12CC(=O)CCO2 Amb35734064 [0,0,0,1,0,1|1,0,0]=3 409 B16R2.2923 CC1CCCCN1CC2CCCC(=O)C2 Amb30013927 [0,0,0,1,0,1|2,0,0]=4 410 B16R2.11867 O=C1CCCC(N2CCCCCCC2)C1 Amb27872035 [0,0,0,1,0,1|2,0,0]=4 411 B16R2.11867 O=C1CCOC(C2CCCCCCC2)C1 Amb27611062 [0,0,0,1,0,1|1,0,0]=3 412 B16R2.11928 O=C1CCCC(CN2CCCCCC2)C1 Amb30013930 [0,0,0,1,0,1|2,0,0]=4 413 B16R2.55 CCCC1CCCCN1C2CCC(=O)C2 Amb27764401 [0,1,0,1,0,0|1,0,0]=3 414 B16R2.166 CCC1CCCCCN1C2=CC(=O)CC2 Amb27586920 [0,1,0,1,0,0|1,0,1]=4 415 B16R2.166 CCC1CCCCCN1C2CCC(=O)C2 Amb27611366 [0,1,0,1,0,0|1,0,0]=3 416 B16R2.11522 CC1CCC(CC2CCCCCC2Br)O1 Amb27219901 [0,1,0,1,0,0|1,0,1]=4 417 B16R2.2829 CC(CN1CCC(=O)C1)C2CCCCC2 Amb27435339 [0,1,0,1,0,0|2,0,0]=4 418 B16R2.2836 CC(C)CC1CCCN1C2CCC(=O)C2 Amb28422783 [0,1,0,1,0,0|2,0,0]=4 419 B16R2.2836 CC(O)CC1CCCN1C2CCC(=O)C2 Amb28363584 [0,1,0,1,0,0|2,0,0]=4 420 B16R2.130490 CC(C)C1CCCCCC12CC(=O)CO2 Amb35718647 [0,1,0,1,0,0|2,0,0]=4 421 B16R2.130490 CC(C)C1CCCCCC12CCC(=O)O2 Amb35718031 [0,1,0,1,0,0|0,0,0]=2 422 B16R2.2843 CC(CC1CCCCC1)N2CCC(=O)C2 Amb35742943 [0,1,0,1,0,0|2,0,0]=4 423 B16R2.2843 CN(CC1CCCCC1)C2CCC(=O)C2 Amb27436485 [0,1,0,1,0,0|2,0,0]=4 424 B16R2.2904 O=C1CC(=O)C(CCC2CCCCC2)N1 Amb29866026 [0,1,0,1,0,0|1,0,1]=4 425 B16R2.6057 CCC1CCCCC1C2NC(=O)CC2=O Amb35711466 [0,1,0,1,0,0|1,0,1]=4 426 B16R2.37021 CCC1CCCCCC12NC(=O)CC2=O Amb35711480 [0,1,0,1,0,0|1,0,1]=4 427 B16R2.80464 O=C1CC(=O)C(CC2CCCCCC2)N1 Amb35711494 [0,1,0,1,0,0|1,0,1]=4 428 B16R2.124098 O=C1CC(=O)C(C2CCCCCCC2)N1 Amb35708177 [0,1,0,1,0,0|1,0,1]=4 429 B16R2.5952 CC1C(=O)CCC1CCC2CCCCO2 Amb30036343 [0,1,0,1,0,0|2,0,0]=4 430 B16R2.5952 CC1C(=O)CCC1CCC2CCOCC2 Amb27777714 [0,1,0,1,0,0|2,0,0]=4 431 B16R2.23293 CC1CCCCCC1N2CCC(=O)C2=O Amb27629243 [0,1,0,1,0,0|2,0,0]=4 432 B16R2.2347 CCC1CCCCC1C2CCC(C=O)O2 Amb27883318 [0,1,0,1,0,0|0,0,1]=3 433 B16R2.2347 CCC1CCCCC1C2CCC(CBr)O2 Amb27450187 [0,1,0,1,0,0|1,0,1]=4 434 B16R2.6953 O=CC1CCC(C2CCCCCCC2)O1 Amb27767227 [0,1,0,1,0,0|0,0,1]=3 435 B16R2.7067 ICC1CCC(CC2CCCCCC2)O1 Amb27965198 [0,1,0,1,0,0|1,0,1]=4 436 B16R2.193921 CCC1CCCCCC12CCC(C=O)O2 Amb35725703 [0,1,0,1,0,0|0,0,1]=3 437 B16R2.193921 CCC1CCCCCC12CCC(CBr)O2 Amb35721330 [0,1,0,1,0,0|1,0,1]=4 438 B16R2.193921 CCC1CCCCCC12CCC(CI)O2 Amb35721331 [0,1,0,1,0,0|1,0,1]=4 439 B16R2.45398 CC1(CCC2CCCCC2)CCC(=O)C1 Amb27845311 [0,1,0,1,0,0|1,0,0]=3 440 B16R2.45398 CC1(CCC2CCCCO2)CCC(=O)C1 Amb30036341 [0,1,0,1,0,0|2,0,0]=4 441 B16R3.192449 O=C1CC2(CN1)C3CCCC2CCC3 Amb27868422 [0,0,0,2,0,0|2,0,0]=4 442 B16R3.193011 NC1=NCC2(CCCCC2C3CC3)O1 Amb35661950 [0,0,0,2,0,0|2,0,0]=4 443 B16R3.193011 O=C1CC2(CCCCC2C3CC3)CN1 Amb35611329 [0,0,0,2,0,0|2,0,0]=4 444 B16R3.193011 O=C1CCC2(CCCCC2C3CC3)O1 Amb35661992 [0,0,0,2,0,0|0,0,0]=2 445 B16R3.193011 O=C1COC2(CCCCC2C3CC3)C1 Amb35661984 [0,0,0,2,0,0|2,0,0]=4 446 B16R3.193011 O=C1NC2(CCCCC2C3CC3)CO1 Amb35676105 [0,0,0,2,0,0|2,0,0]=4 447 B16R3.193011 O=C1NCC2(CCCCC2C3CC3)O1 Amb35676106 [0,0,0,2,0,0|1,0,0]=3 448 B16R3.30510 O=C1CC2(CCCC23CCCC3)CN1 Amb27665591 [0,0,0,2,0,0|2,0,0]=4 449 B16R3.30510 O=C1COC2(CCCC23CCCC3)C1 Amb35718617 [0,0,0,2,0,0|2,0,0]=4 450 B16R3.10346 O=C1NCC(C23CCC[C@H]2OCC3)O1 Amb33447229 [0,0,0,2,0,0|2,0,0]=4 451 B16R3.10360 O=C1CCC(N2C3CCCC2CC3)C1 Amb27468112 [0,0,0,2,0,0|2,0,0]=4 452 B16R3.335 O=C1N[C@H]2CC[C@@H]3CCCC[C@H]3[C@@H]2O1 Amb28345449 [0,0,0,2,0,0|1,0,0]=3 453 B16R3.10390 O=C1CCC(CNC2CCC3CC32)N1 Amb27610434 [0,0,0,2,0,0|2,0,0]=4 454 B16R3.10416 NC1=NCC(C2CC3CCC2CC3)O1 Amb35627577 [0,0,0,2,0,0|2,0,0]=4 455 B16R3.10416 O=C1CC(C2CC3CCC2CC3)CN1 Amb35627583 [0,0,0,2,0,0|2,0,0]=4 456 B16R3.10416 O=C1CCC(C2CC3CCC2CC3)O1 Amb30029754 [0,0,0,2,0,0|0,0,0]=2 457 B16R3.10416 O=C1COC(C2CC3CCC2CC3)C1 Amb30029761 [0,0,0,2,0,0|2,0,0]=4 458 B16R3.10416 O=C1NC(C2CC3CCC2CC3)CO1 Amb35627660 [0,0,0,2,0,0|2,0,0]=4 459 B16R3.10416 O=C1NCC(C2CC3CCC2CC3)O1 Amb35627661 [0,0,0,2,0,0|1,0,0]=3 460 B16R3.30515 NC1=NCC2(CCC23CCCCC3)O1 Amb30026366 [0,0,0,2,0,0|2,0,0]=4 461 B16R3.30515 O=C1CC2(CCC23CCCCC3)CN1 Amb29873845 [0,0,0,2,0,0|2,0,0]=4 462 B16R3.30515 O=C1CCC2(CCC23CCCCC3)O1 Amb30025926 [0,0,0,2,0,0|0,0,0]=2 463 B16R3.30515 O=C1COC2(CCC23CCCCC3)C1 Amb30025699 [0,0,0,2,0,0|2,0,0]=4 464 B16R3.30515 O=C1NC2(CCC23CCCCC3)CO1 Amb35619539 [0,0,0,2,0,0|2,0,0]=4 465 B16R3.30515 O=C1NCC2(CCC23CCCCC3)O1 Amb35619540 [0,0,0,2,0,0|1,0,0]=3 466 B16R3.94931 O=C1CCC(CNC23CCCC2C3)N1 Amb35713615 [0,0,0,2,0,0|2,0,0]=4 467 B16R3.2318 O=C1C[C@H]2[C@H](CC[C@H]2C3OCCO3)O1 Amb27972871 [0,0,0,2,0,0|2,0,0]=4 468 B16R3.10347 O=C1CCN(C2CCC23CCCC3)C1 Amb30025784 [0,0,0,2,0,0|2,0,0]=4 469 B16R3.2031 O=C1CCN(CC2CCCC3CC32)C1 Amb35673317 [0,0,0,2,0,0|2,0,0]=4 470 B16R3.2273 O=C1NC2CC3CCCCC3CC2N1 Amb27868550 [0,0,0,2,0,0|2,0,0]=4 471 B16R3.2273 O=C1NC2CC3CCCCC3CC2O1 Amb28292722 [0,0,0,2,0,0|1,0,0]=3 472 B16R3.2273 O=C1NC2C[C@@H]3CCCC[C@@H]3CC2N1 Amb27408596 [0,0,0,2,0,0|2,0,0]=4 473 B16R3.94653 O=C1CCN(CC23CCCCC2C3)C1 Amb35735129 [0,0,0,2,0,0|2,0,0]=4 474 B16R3.192441 O=C1CC2(CN1)C[C@@H]3CCCC[C@H]3C2 Amb27445245 [0,0,0,2,0,0|2,0,0]=4 475 B16R3.192441 O=C1C[C@]2(CN1)C[C@@H]3CCCC[C@@H]3C2 Amb28074018 [0,0,0,2,0,0|2,0,0]=4 476 B16R3.10339 O=C1CCC(CC2CCC3CC3C2)N1 Amb35598755 [0,0,0,2,0,0|1,0,0]=3 477 B16R3.10339 O=C1CCN(CC2CCC3CC3C2)C1 Amb35714931 [0,0,0,2,0,0|2,0,0]=4 478 B12R0.251 CCCCCCCCC(Br)C(=O)O Amb22347926 [0,0,1,0,1,0|2,0,0]=4 479 B12R0.251 CCCCCCCCC(C)C(=O)O Amb19058533 [0,0,1,0,1,0|1,0,0]=3 480 B12R0.251 CCCCCCCCC(N)C(=O)O Amb4134809 [0,0,1,0,1,0|2,0,0]=4 481 B12R0.251 CCCCCCCCC(N)C(N)=O Amb32937043 [0,0,1,0,1,0|2,0,0]=4 482 B12R0.251 CCCCCCCCC(O)C(=O)O Amb6295799 [0,0,1,0,1,0|2,0,0]=4 483 B12R0.251 CCCCCCCCN(C)C(C)=O Amb24096791 [0,0,1,0,1,0|1,0,0]=3 484 B12R0.251 CCCCCCCC[C@@H](N)C(=O)O Amb22745440 [0,0,1,0,1,0|2,0,0]=4 485 B12R0.251 CCCCCCCC[C@H](N)C(=O)O Amb28974737 [0,0,1,0,1,0|2,0,0]=4 486 B12R0.251 CCCCCCCSC(C)C(=O)O Amb7794235 [0,0,1,0,1,0|2,0,0]=4