0 B8R0.1 C#CCCC(=O)CCO H6251 [0,0,0,0,0,0|2,0,2]=4 1 B8R0.1 CCCC[C@H](N)CCO A62132 [0,0,0,0,0,0|3,0,1]=4 2 B8R0.1 CCOC(=O)CCC#N E63052 [0,0,0,0,0,0|1,0,1]=2 3 B8R0.1 CCOC(=O)CCCBr B69333 [0,0,0,0,0,0|1,0,0]=1 4 B8R0.1 CCOC(=O)CCCI E31893 [0,0,0,0,0,0|1,0,0]=1 5 B8R0.1 CCOC(=O)CCCN E43487 [0,0,0,0,0,0|1,0,0]=1 6 B8R0.1 CCOC(=O)CCNC E41584 [0,0,0,0,0,0|1,0,0]=1 7 B8R0.1 CCOC(=O)CCSC E39202 [0,0,0,0,0,0|1,0,0]=1 8 B8R0.1 CCOC(=O)\C=C\C=O E69342 [0,0,0,0,0,0|1,0,3]=4 9 B8R0.1 CCOC(=O)\C=C\CBr E43399 [0,0,0,0,0,0|1,0,2]=3 10 B8R0.1 CCOCC(=O)OCC E41554 [0,0,0,0,0,0|1,0,0]=1 11 B7R0.1 CCCCCCCBr B43897 [1,0,0,0,0,0|2,0,1]=4 12 B7R0.1 CCCCCCC[Mg+] H31707 [1,0,0,0,0,0|2,0,1]=4 13 B7R0.3 CCCCC(=O)NN P40425 [1,0,0,0,0,0|2,0,0]=3 14 B7R0.3 CCCC[C@@H](N)CO A43512 [1,0,0,0,0,0|2,0,1]=4 15 B7R0.3 CCCC[C@@H]([Mg+])CC E31708 [1,0,0,0,0,0|1,0,1]=3 16 B7R0.3 CCCOC(=O)OC M40388 [1,0,0,0,0,0|1,0,0]=2 17 B7R0.3 CNCCC(=O)OC M40412 [1,0,0,0,0,0|1,0,0]=2 18 B7R0.3 COC(=N)CCCCl M40379 [1,0,0,0,0,0|2,0,0]=3 19 B7R0.3 COC(=O)C=CCBr M37461 [1,0,0,0,0,0|1,0,2]=4 20 B7R0.3 COC(=O)CCCBr M39189 [1,0,0,0,0,0|1,0,0]=2 21 B7R0.3 COC(=O)CCCCl M60517 [1,0,0,0,0,0|1,0,0]=2 22 B7R0.3 COC(=O)CCCN M32376 [1,0,0,0,0,0|1,0,0]=2 23 B7R0.3 COC(=O)CN=[N+]=[N-] M3461 [1,0,0,0,0,0|3,0,0]=4 24 B7R0.3 COC(=O)CNC=O M40228 [1,0,0,0,0,0|2,0,1]=4 25 B7R0.3 COC(=O)\C=C\CBr M41176 [1,0,0,0,0,0|1,0,2]=4 26 B7R0.3 COC=CC(=O)OC M39186 [1,0,0,0,0,0|1,0,2]=4 27 B7R0.3 CO\C=C\C(=O)OC M41228 [1,0,0,0,0,0|1,0,2]=4 28 B7R0.7 CC#CC(=O)OCC E36835 [1,0,0,0,0,0|0,0,2]=3 29 B7R0.7 CCNC(=O)NCC D40424 [1,0,0,0,0,0|2,0,0]=3 30 B7R0.7 CCOC(=O)CCBr E39188 [1,0,0,0,0,0|1,0,0]=2 31 B7R0.7 CCOC(=O)CCI E41273 [1,0,0,0,0,0|1,0,0]=2 32 B7R0.7 CCOC(=O)CCO E36682 [1,0,0,0,0,0|1,0,0]=2 33 B7R0.7 CCOC(=O)CNC S69399 [1,0,0,0,0,0|1,0,0]=2 34 B7R0.7 CCOC(=O)CNN E67459 [1,0,0,0,0,0|2,0,0]=3 35 B7R0.7 CCOC(=O)CSC E40386 [1,0,0,0,0,0|1,0,0]=2 36 B7R0.7 CCOC(=O)OCCl C38646 [1,0,0,0,0,0|2,0,0]=3 37 B7R0.7 CCOC(=O)[CH-]C=O E29890 [1,0,0,0,0,0|1,0,2]=4 38 B7R0.7 CCOC(=O)\C=C\I E41181 [1,0,0,0,0,0|1,0,2]=4 39 B7R0.7 COCC(=O)COC D40391 [1,0,0,0,0,0|3,0,0]=4 40 B7R0.7 O=C(CCCl)CCCl D67616 [1,0,0,0,0,0|3,0,0]=4 41 B9R0.5 CCC=CCC(=O)OCC E47083 [0,1,0,0,0,0|0,0,1]=2 42 B9R0.5 CCCC=CC(=O)OCC E47082 [0,1,0,0,0,0|0,0,1]=2 43 B9R0.5 CCOC(=O)CCCCBr E39295 [0,1,0,0,0,0|0,0,0]=1 44 B9R0.5 CCOC(=O)CCCCN E46517 [0,1,0,0,0,0|0,0,0]=1 45 B9R0.5 CCOC(=O)CCC[Zn]I E31894 [0,1,0,0,0,0|1,0,0]=2 46 B9R0.5 CCOC(=O)CCN=[N+]=[N-] E5007 [0,1,0,0,0,0|2,0,0]=3 47 B9R0.5 CCOC(=O)COCCCl E41531 [0,1,0,0,0,0|1,0,0]=2 48 B9R0.5 CCOC=CC(=O)OCC E43814 [0,1,0,0,0,0|0,0,2]=3 49 B9R0.5 CCO\C=C\C(=O)OCC E43813 [0,1,0,0,0,0|0,0,2]=3 50 B9R0.8 CON(C)C(=O)CCCCl C41545 [0,1,0,0,0,0|3,0,0]=4 51 B9R0.18 C=CCOC(=O)NCCN A43472 [0,1,0,0,0,0|2,0,1]=4 52 B9R0.34 CCCC(=O)CC(=O)OC M39290 [0,1,0,0,0,0|2,0,1]=4 53 B9R0.34 CCOC(=O)CC(=O)CC E43812 [0,1,0,0,0,0|0,0,1]=2 54 B9R0.34 CCOC(=O)CC(=O)CCl E64939 [0,1,0,0,0,0|1,0,1]=3 55 B9R0.34 CCOC(=O)CC(=O)NN E40373 [0,1,0,0,0,0|2,0,1]=4 56 B9R0.34 CCOC(=O)C[C@@H](O)CCl E68321 [0,1,0,0,0,0|1,0,0]=2 57 B9R0.34 CCOC(=O)C[C@H](O)CO E66047 [0,1,0,0,0,0|1,0,0]=2 58 B9R0.34 CCOC(=O)NC(=O)CCl E62948 [0,1,0,0,0,0|2,0,1]=4 59 B9R0.35 CCCC(=O)C(=O)OCC E43810 [0,1,0,0,0,0|0,0,1]=2 60 B9R0.35 CCC[C@H](C)C(=O)OCC E39445 [0,1,0,0,0,0|0,0,0]=1 61 B9R0.35 CCC[C@H](N)C(=O)OCC N65311 [0,1,0,0,0,0|0,0,0]=1 62 B9R0.35 CCOC(=N)C(=O)OCC E32050 [0,1,0,0,0,0|1,0,1]=3 63 B9R0.48 C=C(C)CCC(=O)OCC E69099 [0,1,0,0,0,0|0,0,1]=2 64 B9R0.48 CCOC(=O)CCC(C)=O E36601 [0,1,0,0,0,0|0,0,1]=2 65 B9R0.48 CCOC(=O)CNC(C)=O E68877 [0,1,0,0,0,0|1,0,1]=3 66 B9R0.48 CCOC(=O)\C=C\N(C)C E16630 [0,1,0,0,0,0|1,0,2]=4 67 B9R0.48 CCOC(=O)\C=C\N(C)C E68121 [0,1,0,0,0,0|1,0,2]=4 68 B9R1.2 CCN1CCNC(=O)C1 E43465 [0,0,0,1,0,0|2,0,0]=3 69 B9R1.2 N#C[C@H]1CCCC(=O)C1 X46385 [0,0,0,1,0,0|2,0,1]=4 70 B9R1.2 NC[C@H]1CCCC(=O)N1 A37687 [0,0,0,1,0,0|3,0,0]=4 71 B9R1.2 NC[C@H]1CCNC(=O)C1 A7242 [0,0,0,1,0,0|2,0,0]=3 72 B9R1.2 O=C1C[C@@H](CO)CCN1 X0577 [0,0,0,1,0,0|2,0,0]=3 73 B9R1.8 CCC[C@H]1CCCCN1 P49580 [0,0,0,1,0,0|2,0,1]=4 74 B9R1.12 ClCCCC1OCCO1 C69086 [0,0,0,1,0,0|1,0,2]=4 75 B9R1.15 CO[C@H]1COCCC1=O M10506 [0,0,0,1,0,0|3,0,0]=4 76 B9R1.33 C#CCN1CCOC1=O P8469 [0,0,0,1,0,0|1,0,2]=4 77 B9R1.33 NCCN1CCNC1=O A3994 [0,0,0,1,0,0|3,0,0]=4 78 B9R1.33 NCCN1CCOC1=O A61391 [0,0,0,1,0,0|2,0,0]=3 79 B9R1.33 [N-]=[N+]=N[C@H]1CCOC1=O A2727 [0,0,0,1,0,0|3,0,0]=4 80 B9R1.48 C[C@H]1CC(=O)NCCN1 H7872 [0,0,0,1,0,0|3,0,0]=4 81 B9R1.48 O=C1CCCCC(=O)C1 C37584 [0,0,0,1,0,0|2,0,1]=4 82 B9R1.49 CN1CCNC(=O)CC1 M10175 [0,0,0,1,0,0|2,0,0]=3 83 B9R1.49 N[C@H]1CCCC(=O)NC1 A43464 [0,0,0,1,0,0|3,0,0]=4 84 B9R1.49 O=C1CCC[C@H](O)CN1 H41499 [0,0,0,1,0,0|3,0,0]=4 85 B9R1.50 O=C1CCCCCCC1 C67881 [0,0,0,1,0,0|1,0,0]=2 86 B9R1.50 O=C1CCCCCCN1 A69570 [0,0,0,1,0,0|1,0,0]=2 87 B9R1.69 C[C@H]1CCC(=O)NC1=O M43382 [0,0,0,1,0,0|2,0,1]=4 88 B9R1.73 CCOC(=N)C1CCC1 E64744 [0,0,0,1,0,0|1,0,0]=2 89 B9R1.73 CCOC(=O)C1CNC1 E0677 [0,0,0,1,0,0|1,0,0]=2 90 B9R1.73 N#CCC(=O)C1CCC1 C0311 [0,0,0,1,0,0|2,0,1]=4 91 B9R1.75 CCOC(=O)CC1CC1 E29877 [0,0,0,1,0,0|0,0,0]=1 92 B6R0.6 CC=CCCCO H41548 [2,0,0,0,0,0|1,0,1]=4 93 B6R0.6 CCCCCC[Mg+] H31703 [2,0,0,0,0,0|1,0,1]=4 94 B6R0.6 CCCCCNC M41618 [2,0,0,0,0,0|1,0,1]=4 95 B6R0.6 CCC\C=C\CO H41550 [2,0,0,0,0,0|1,0,1]=4 96 B6R0.6 CCOCCC#N E41255 [2,0,0,0,0,0|1,0,1]=4 97 B6R0.6 COCCCCBr B40422 [2,0,0,0,0,0|1,0,1]=4 98 B6R0.1 C#CCC(=O)OC M41116 [2,0,0,0,0,0|0,0,2]=4 99 B6R0.1 CC#CC(=O)OC M62298 [2,0,0,0,0,0|0,0,2]=4 100 B6R0.1 CC=CC(=O)CC H41457 [2,0,0,0,0,0|0,0,2]=4 101 B6R0.1 CCC[C@@H](Cl)CC C63946 [2,0,0,0,0,0|1,0,1]=4 102 B6R0.1 CCOC(=O)C#N E15572 [2,0,0,0,0,0|1,0,1]=4 103 B6R0.1 CCOC(=O)CN G69291 [2,0,0,0,0,0|1,0,0]=3 104 B6R0.1 CCOC(=O)CO E37817 [2,0,0,0,0,0|1,0,0]=3 105 B6R0.1 CCOC(=O)NN E39139 [2,0,0,0,0,0|2,0,0]=4 106 B6R0.1 CCOC(=O)OC E40254 [2,0,0,0,0,0|1,0,0]=3 107 B6R0.1 CNC(=O)CCN A40306 [2,0,0,0,0,0|2,0,0]=4 108 B6R0.1 COC(=O)CC#N M68915 [2,0,0,0,0,0|1,0,1]=4 109 B6R0.1 COC(=O)CCBr M39155 [2,0,0,0,0,0|1,0,0]=3 110 B6R0.1 COC(=O)CCN M67902 [2,0,0,0,0,0|1,0,0]=3 111 B6R0.1 COC(=O)CCO M24551 [2,0,0,0,0,0|1,0,0]=3 112 B6R0.1 COC(=O)OCCl C62332 [2,0,0,0,0,0|2,0,0]=4 113 B6R0.4 C#CCCC(=O)O P68088 [2,0,0,0,0,0|0,0,2]=4 114 B6R0.4 C=CCCC(=O)O P37823 [2,0,0,0,0,0|0,0,2]=4 115 B6R0.4 CC(=O)CCCCl C68599 [2,0,0,0,0,0|1,0,0]=3 116 B6R0.4 CC(=O)NCCN A68626 [2,0,0,0,0,0|2,0,0]=4 117 B6R0.4 CC(=O)NCCO H68625 [2,0,0,0,0,0|2,0,0]=4 118 B6R0.4 CC(=O)OCCBr B67892 [2,0,0,0,0,0|2,0,0]=4 119 B6R0.4 CCCCC(=N)N P41343 [2,0,0,0,0,0|2,0,0]=4 120 B6R0.4 CCCCC(=O)[O-] S38573 [2,0,0,0,0,0|0,0,1]=3 121 B6R0.4 CCCOC(N)=O P40264 [2,0,0,0,0,0|2,0,0]=4 122 B6R0.4 CNCCC(=O)O M40350 [2,0,0,0,0,0|1,0,0]=3 123 B6R0.4 COCCC(=O)O M40255 [2,0,0,0,0,0|1,0,0]=3 124 B6R0.4 N#CCCC(=O)O C69146 [2,0,0,0,0,0|1,0,1]=4 125 B6R0.4 NCCCC(N)=O A40304 [2,0,0,0,0,0|2,0,0]=4 126 B6R0.4 O=C(O)CCCBr B39154 [2,0,0,0,0,0|1,0,0]=3 127 B6R0.4 O=C(O)CCCCl C40232 [2,0,0,0,0,0|1,0,0]=3 128 B8R0.4 CCCCCCCNC M47212 [1,1,0,0,0,0|1,0,1]=4 129 B8R0.4 CCOCCOCCO E60752 [1,1,0,0,0,0|1,0,1]=4 130 B8R0.6 CCCCC[C@@H](O)CC X47206 [1,1,0,0,0,0|1,0,1]=4 131 B8R0.7 CCCCCC[C@@H](C)O X47207 [1,1,0,0,0,0|1,0,1]=4 132 B8R0.3 C=CC[C@H](N)C(=O)OC M37082 [1,1,0,0,0,0|0,0,2]=4 133 B8R0.3 CCC[C@@H](N)C(=O)OC M66692 [1,1,0,0,0,0|0,0,0]=2 134 B8R0.3 CCC[C@H](N)C(=O)OC M43489 [1,1,0,0,0,0|0,0,0]=2 135 B8R0.3 CCN[C@@H](C)C(=O)OC M32327 [1,1,0,0,0,0|1,0,0]=3 136 B8R0.3 CCOC(=O)C(=O)CC E67705 [1,1,0,0,0,0|1,0,1]=4 137 B8R0.3 COC[C@@H](N)C(=O)OC M38225 [1,1,0,0,0,0|1,0,0]=3 138 B8R0.8 CCCCC(=O)[C@H](C)N A46508 [1,1,0,0,0,0|0,0,0]=2 139 B8R0.9 COC(=O)CCC(=O)Cl C6883 [1,1,0,0,0,0|1,0,1]=4 140 B8R0.9 COC(=O)CCC(=O)O M37827 [1,1,0,0,0,0|1,0,1]=4 141 B8R0.11 CCCC[C@H](CC)CBr E67613 [1,1,0,0,0,0|1,0,1]=4 142 B8R0.11 CCCC[C@H](CC)CO E60781 [1,1,0,0,0,0|0,0,2]=4 143 B8R0.11 CCCC[C@H](CC)C[Mg+] E31710 [1,1,0,0,0,0|1,0,1]=4 144 B8R0.19 CCC(=O)CC(=O)CC H43801 [1,1,0,0,0,0|0,0,1]=3 145 B8R0.19 CCC(=O)CC(=O)OC M39036 [1,1,0,0,0,0|0,0,1]=3 146 B8R0.19 CC[C@H](N)CC(=O)OC M43495 [1,1,0,0,0,0|0,0,0]=2 147 B8R0.19 COC(=O)CC(=O)CCl M61620 [1,1,0,0,0,0|1,0,1]=4 148 B8R0.19 COC(=O)CC(=O)OC D60836 [1,1,0,0,0,0|1,0,1]=4 149 B8R0.19 COC(=O)C[C@@H](O)CCl M41276 [1,1,0,0,0,0|1,0,0]=3 150 B8R0.25 CCS(=O)(=O)CCCO E4265 [1,1,0,0,0,0|2,0,0]=4 151 B8R0.25 CCS(=O)(=O)CCOC E2827 [1,1,0,0,0,0|2,0,0]=4 152 B8R0.5 CC(C)OC(=O)OCCl C68871 [1,1,0,0,0,0|2,0,0]=4 153 B8R0.5 CC(C)OC(=O)OCI K62369 [1,1,0,0,0,0|2,0,0]=4 154 B8R0.5 CCOC(=O)CC(=O)[O-] P39163 [1,1,0,0,0,0|1,0,1]=4 155 B8R0.5 CCOC(=O)CC(N)=O E38643 [1,1,0,0,0,0|1,0,1]=4 156 B8R0.5 CCOC(=O)CC(N)=S E6802 [1,1,0,0,0,0|1,0,1]=4 157 B8R0.5 CCOC(=O)C[C@@H](C)O E64944 [1,1,0,0,0,0|0,0,0]=2 158 B8R0.5 CCOC(=O)C[C@H](C)N E43492 [1,1,0,0,0,0|0,0,0]=2 159 B8R0.5 CCOC(=O)C[C@H](C)N E61042 [1,1,0,0,0,0|0,0,0]=2 160 B8R0.5 COCC(=O)OC(C)C P65707 [1,1,0,0,0,0|1,0,0]=3 161 B8R0.22 CCCN(C=O)CCC D43905 [1,1,0,0,0,0|2,0,0]=4 162 B8R0.30 CCOP(=O)([O-])OCC E54072 [1,1,0,0,0,0|2,0,0]=4 163 B10R0.18 CCCCC(=O)CC(=O)OC M47093 [0,2,0,0,0,0|1,0,1]=4 164 B10R0.28 C#CCCC(=O)OC(C)(C)C B62767 [0,2,0,0,0,0|0,0,2]=4 165 B10R0.28 CC(C)(C)OC(=O)CCCBr B37479 [0,2,0,0,0,0|1,0,0]=3 166 B10R0.28 CC(C)(C)OC(=O)CCCN B38496 [0,2,0,0,0,0|1,0,0]=3 167 B10R0.28 CC(C)(C)OC(=O)CCCN B61116 [0,2,0,0,0,0|1,0,0]=3 168 B10R0.28 CC(C)(C)OC(=O)NCCCl B6380 [0,2,0,0,0,0|2,0,0]=4 169 B10R0.28 CC(C)(C)OC(=O)NCCN B46523 [0,2,0,0,0,0|2,0,0]=4 170 B10R0.28 CC(C)(C)OC(=O)NCCN N28507 [0,2,0,0,0,0|2,0,0]=4 171 B10R0.28 CCNCC(=O)OC(C)(C)C B47176 [0,2,0,0,0,0|1,0,0]=3 172 B10R0.1 CCOC(=O)CCCCCBr E39444 [0,2,0,0,0,0|0,0,0]=2 173 B10R0.1 CCOC(=O)CCCCCO E47160 [0,2,0,0,0,0|0,0,0]=2 174 B10R0.1 CCOC(=O)CCCN=[N+]=[N-] E3898 [0,2,0,0,0,0|1,0,0]=3 175 B10R0.1 CCOC(=O)CNCCC#N E46482 [0,2,0,0,0,0|0,0,1]=3 176 B10R0.2 CCCC(=O)CC(=O)OCC E47091 [0,2,0,0,0,0|0,0,0]=2 177 B10R0.2 CCC[C@H](O)CC(=O)OCC E47159 [0,2,0,0,0,0|0,0,0]=2 178 B10R0.2 CCOC(=N)CC(=O)OCC E37761 [0,2,0,0,0,0|0,0,1]=3 179 B10R0.2 CCOC(=O)CC(=O)COC E69590 [0,2,0,0,0,0|0,0,1]=3 180 B10R0.2 CCOC(=O)C[C@H](O)CC#N E67509 [0,2,0,0,0,0|0,0,1]=3 181 B10R0.3 C=C(C)CCCC(=O)OCC E50504 [0,2,0,0,0,0|0,0,0]=2 182 B10R0.3 CCOC(=O)CCCC(=O)O E43824 [0,2,0,0,0,0|0,0,1]=3 183 B10R0.3 CCOC(=O)CCCC(C)=O E47092 [0,2,0,0,0,0|0,0,0]=2 184 B10R0.19 CCCCC(=O)C(=O)OCC E12153 [0,2,0,0,0,0|0,0,0]=2 185 B10R0.19 CCOC(=O)[C@@H](N)CCCN E63673 [0,2,0,0,0,0|0,0,0]=2 186 B10R0.19 CCOC=C(C)C(=O)OCC E47098 [0,2,0,0,0,0|0,0,2]=4 187 B10R0.91 CCCCCC(=O)OCCC P50580 [0,2,0,0,0,0|0,0,0]=2 188 B10R0.108 CCOC(=O)CNC(=O)OC E41521 [0,2,0,0,0,0|1,0,1]=4 189 B10R0.35 CCOC(=O)C(=O)[C@@H](Br)CC E37425 [0,2,0,0,0,0|0,0,1]=3 190 B10R0.7 CCOC(=O)CC(C)(C)CN D64492 [0,2,0,0,0,0|1,0,0]=3 191 B10R0.26 CCOC(=O)CC(=O)C(C)C E47096 [0,2,0,0,0,0|0,0,1]=3 192 B10R0.26 CCOC(=O)CC(=O)C(F)F E43313 [0,2,0,0,0,0|1,0,1]=4 193 B10R0.33 CCOC(=O)[C@@H](C#N)CC#N E45998 [0,2,0,0,0,0|1,0,1]=4 194 B10R0.129 C=CCC(F)(F)C(=O)OCC E43722 [0,2,0,0,0,0|0,0,2]=4 195 B10R0.109 CCOC(=O)CCC(F)(F)F E64198 [0,2,0,0,0,0|1,0,0]=3 196 B8R1.2 BrCC1=CCCCC1 B10308 [1,0,0,1,0,0|2,0,0]=4 197 B8R1.2 BrCC1CCOCC1 B3933 [1,0,0,1,0,0|1,0,1]=4 198 B8R1.2 CC[C@H]1CCCCN1 E46502 [1,0,0,1,0,0|2,0,0]=4 199 B8R1.2 CNC1CCOCC1 M10218 [1,0,0,1,0,0|1,0,1]=4 200 B8R1.2 ICC1CCOCC1 I10217 [1,0,0,1,0,0|1,0,1]=4 201 B8R1.2 NCC1CCOCC1 T1166 [1,0,0,1,0,0|1,0,1]=4 202 B8R1.2 OCC1CCOCC1 H0390 [1,0,0,1,0,0|1,0,1]=4 203 B8R1.2 OC[C@@H]1CC=CCC1 C43800 [1,0,0,1,0,0|2,0,0]=4 204 B8R1.8 CCO[C@@H]1CCNC1 E13930 [1,0,0,1,0,0|1,0,1]=4 205 B8R1.8 CCO[C@H]1CCNC1 E14045 [1,0,0,1,0,0|1,0,1]=4 206 B8R1.8 CNC[C@H]1CCOC1 M1347 [1,0,0,1,0,0|1,0,1]=4 207 B8R1.1 C=C[C@@H]1COC(=O)C1 V64256 [1,0,0,1,0,0|0,0,2]=4 208 B8R1.1 C=C[C@@H]1COC(=O)C1 V64417 [1,0,0,1,0,0|0,0,2]=4 209 B8R1.1 NC[C@@H]1CCC(=O)N1 A19938 [1,0,0,1,0,0|2,0,0]=4 210 B8R1.1 NC[C@@H]1CNC(=O)C1 A15732 [1,0,0,1,0,0|2,0,0]=4 211 B8R1.1 NC[C@@H]1CNC(=O)C1 A27672 [1,0,0,1,0,0|2,0,0]=4 212 B8R1.1 NC[C@@H]1CNC(=O)C1 A7263 [1,0,0,1,0,0|2,0,0]=4 213 B8R1.1 NC[C@H]1CCC(=O)N1 A64040 [1,0,0,1,0,0|2,0,0]=4 214 B8R1.1 NC[C@H]1CNC(=O)C1 A18478 [1,0,0,1,0,0|2,0,0]=4 215 B8R1.1 NC[C@H]1CNC(=O)C1 A27671 [1,0,0,1,0,0|2,0,0]=4 216 B8R1.1 NC[C@H]1COC(=O)N1 A13336 [1,0,0,1,0,0|2,0,0]=4 217 B8R1.1 O=C1CC[C@@H](CBr)N1 B41220 [1,0,0,1,0,0|2,0,0]=4 218 B8R1.1 O=C1CC[C@@H](CO)N1 H21817 [1,0,0,1,0,0|2,0,0]=4 219 B8R1.1 O=C1CC[C@@H](CO)O1 H41229 [1,0,0,1,0,0|2,0,0]=4 220 B8R1.1 O=C1CC[C@H](CBr)N1 B32099 [1,0,0,1,0,0|2,0,0]=4 221 B8R1.1 O=C1CC[C@H](CBr)O1 B66357 [1,0,0,1,0,0|2,0,0]=4 222 B8R1.1 O=C1CC[C@H](CI)N1 I2851 [1,0,0,1,0,0|2,0,0]=4 223 B8R1.1 O=C1CC[C@H](CI)O1 I2850 [1,0,0,1,0,0|2,0,0]=4 224 B8R1.1 O=C1CC[C@H](CO)N1 H24798 [1,0,0,1,0,0|2,0,0]=4 225 B8R1.1 O=C1CC[C@H](CO)N1 H7102 [1,0,0,1,0,0|2,0,0]=4 226 B8R1.1 O=C1CC[C@H](CO)O1 H5013 [1,0,0,1,0,0|2,0,0]=4 227 B8R1.1 O=C1C[C@H](CO)CN1 H14660 [1,0,0,1,0,0|2,0,0]=4 228 B8R1.1 O=C1N[C@@H](CI)CO1 K40211 [1,0,0,1,0,0|2,0,0]=4 229 B8R1.1 O=C1N[C@@H](CO)CO1 H62331 [1,0,0,1,0,0|2,0,0]=4 230 B8R1.3 CC1CCC(=O)CC1 M39288 [1,0,0,1,0,0|0,0,0]=2 231 B8R1.3 CC1CCC(O)CC1 M61965 [1,0,0,1,0,0|0,0,2]=4 232 B8R1.3 CN1CCC(=O)CC1 M28326 [1,0,0,1,0,0|1,0,0]=3 233 B8R1.3 C[C@@H]1CNC(=O)CN1 M29571 [1,0,0,1,0,0|2,0,0]=4 234 B8R1.3 C[C@H]1CCC(=O)NC1 P23074 [1,0,0,1,0,0|1,0,0]=3 235 B8R1.3 C[C@H]1CC[C@@H](N)CC1 M46505 [1,0,0,1,0,0|1,0,1]=4 236 B8R1.3 C[C@H]1CC[C@H](N)CC1 M46506 [1,0,0,1,0,0|1,0,1]=4 237 B8R1.3 C[C@H]1CC[C@H](N)CC1 M68368 [1,0,0,1,0,0|1,0,1]=4 238 B8R1.3 C[C@H]1CNC(=O)CN1 M17917 [1,0,0,1,0,0|2,0,0]=4 239 B8R1.3 NC1CCC(=O)CC1 A38581 [1,0,0,1,0,0|1,0,0]=3 240 B8R1.3 N[C@H]1CCC(=O)NC1 A0587 [1,0,0,1,0,0|2,0,0]=4 241 B8R1.3 O=C1CCC(O)CC1 H18838 [1,0,0,1,0,0|1,0,0]=3 242 B8R1.3 O=C1CC[C@H](O)CN1 H22093 [1,0,0,1,0,0|2,0,0]=4 243 B8R1.38 COC(=O)C1CNC1 M5857 [1,0,0,1,0,0|1,0,0]=3 244 B8R1.38 COC(=O)C1COC1 M15764 [1,0,0,1,0,0|1,0,0]=3 245 B8R1.38 COC(=O)[C@@H]1CCN1 M11233 [1,0,0,1,0,0|1,0,0]=3 246 B8R1.38 COC(=O)[C@@H]1CCN1 M11611 [1,0,0,1,0,0|1,0,0]=3 247 B8R1.38 COC(=O)[C@H]1CCN1 M11612 [1,0,0,1,0,0|1,0,0]=3 248 B8R1.38 NNC(=O)C1CCC1 C12362 [1,0,0,1,0,0|2,0,0]=4 249 B8R1.40 COC(=O)CC1CC1 M11217 [1,0,0,1,0,0|0,0,0]=2 250 B8R1.40 O=C(CCl)NC1CC1 C41221 [1,0,0,1,0,0|2,0,0]=4 251 B8R1.50 CC1C(=O)CCC1=O M25293 [1,0,0,1,0,0|1,0,1]=4 252 B8R1.52 CC[N+]1(C)CCCC1 E46620 [1,0,0,1,0,0|2,0,0]=4 253 B8R1.4 CN1CCCC(=O)C1 M13651 [1,0,0,1,0,0|2,0,0]=4 254 B8R1.4 CN1CCNC(=O)C1 M6975 [1,0,0,1,0,0|2,0,0]=4 255 B8R1.4 CN1CCOC(=O)C1 M41260 [1,0,0,1,0,0|1,0,0]=3 256 B8R1.4 C[C@@H]1CC(=O)CCN1 M10735 [1,0,0,1,0,0|2,0,0]=4 257 B8R1.4 C[C@@H]1CC(=O)CCO1 M11329 [1,0,0,1,0,0|2,0,0]=4 258 B8R1.4 C[C@@H]1CNCC(=O)N1 M13313 [1,0,0,1,0,0|2,0,0]=4 259 B8R1.4 C[C@@H]1COCC(=O)N1 M17373 [1,0,0,1,0,0|2,0,0]=4 260 B8R1.4 C[C@H]1CC(=O)CCN1 M10734 [1,0,0,1,0,0|2,0,0]=4 261 B8R1.4 C[C@H]1CC(=O)CCN1 M19737 [1,0,0,1,0,0|2,0,0]=4 262 B8R1.4 C[C@H]1CC(=O)CCN1 M8156 [1,0,0,1,0,0|2,0,0]=4 263 B8R1.4 C[C@H]1CC(=O)CCO1 M11328 [1,0,0,1,0,0|2,0,0]=4 264 B8R1.4 C[C@H]1CC(=O)CCO1 M14197 [1,0,0,1,0,0|2,0,0]=4 265 B8R1.4 C[C@H]1CCCC(=O)N1 M23832 [1,0,0,1,0,0|1,0,0]=3 266 B8R1.4 C[C@H]1CCNC(=O)C1 M23793 [1,0,0,1,0,0|1,0,0]=3 267 B8R1.4 C[C@H]1CNCC(=O)N1 M11164 [1,0,0,1,0,0|2,0,0]=4 268 B8R1.4 N[C@H]1CCNC(=O)C1 A0054 [1,0,0,1,0,0|2,0,0]=4 269 B8R1.4 N[C@H]1CCNC(=O)C1 A37105 [1,0,0,1,0,0|2,0,0]=4 270 B8R1.4 O=C1C[C@@H](O)CCN1 H38902 [1,0,0,1,0,0|2,0,0]=4 271 B8R1.4 O=C1C[C@@H](O)CCN1 H41262 [1,0,0,1,0,0|2,0,0]=4 272 B8R1.18 CC1=CC(=O)C[C@@H]1C D43712 [1,0,0,1,0,0|1,0,1]=4 273 B8R1.18 C[C@H]1CC(=O)OC1=O M41122 [1,0,0,1,0,0|1,0,1]=4 274 B8R1.37 CCOC(=O)C1CC1 E41463 [1,0,0,1,0,0|0,0,0]=2 275 B8R1.37 CCOC(=O)[C@@H]1CO1 E29853 [1,0,0,1,0,0|1,0,0]=3 276 B10R1.61 CC(C)N1CCNCC1=O P46498 [0,1,0,1,0,0|2,0,0]=4 277 B10R1.130 CCCC1=CC(=O)O[C@@H]1O H43725 [0,1,0,1,0,0|1,0,1]=4 278 B10R1.266 CC(=O)CC(=O)C1CCC1 C6255 [0,1,0,1,0,0|1,0,1]=4 279 B10R1.10 CCC[C@H]1CC(=O)CCN1 P49563 [0,1,0,1,0,0|2,0,0]=4 280 B10R1.11 CCOC(=O)[C@@H]1CCCO1 E43818 [0,1,0,1,0,0|0,0,0]=2 281 B10R1.11 CCOC(=O)[C@@H]1CSCN1 E61537 [0,1,0,1,0,0|1,0,0]=3 282 B10R1.11 CCOC(=O)[C@H]1CCCN1 E37266 [0,1,0,1,0,0|0,0,0]=2 283 B10R1.11 CCOC(=O)[C@H]1CCNC1 E25456 [0,1,0,1,0,0|0,0,0]=2 284 B10R1.21 ClCCCCC1OCCO1 C43865 [0,1,0,1,0,0|0,0,2]=4 285 B10R1.29 CCCCN1CCCC1=O B68886 [0,1,0,1,0,0|1,0,0]=3 286 B10R1.78 O=C1CCCCCCCN1 A62814 [0,1,0,1,0,0|1,0,0]=3 287 B10R1.135 CCOC(=O)C1CC1C#N M24297 [0,1,0,1,0,0|0,0,1]=3 288 B10R1.135 CCOC(=O)C1CC1C=O E43726 [0,1,0,1,0,0|0,0,1]=3 289 B10R1.135 CCOC(=O)[C@@H]1C[C@@H]1C#N E29920 [0,1,0,1,0,0|0,0,1]=3 290 B10R1.135 CCOC(=O)[C@@H]1C[C@H]1C#N E29838 [0,1,0,1,0,0|0,0,1]=3 291 B10R1.137 CCOC(=O)C=C1CCC1 E47017 [0,1,0,1,0,0|0,0,1]=3 292 B10R1.137 CCOC(=O)C=C1COC1 E1599 [0,1,0,1,0,0|0,0,2]=4 293 B10R1.138 CCCC(=O)OC[C@H]1CO1 G39289 [0,1,0,1,0,0|2,0,0]=4 294 B10R1.176 CN1CC[C@H](CN)CC1=O A0719 [0,1,0,1,0,0|2,0,0]=4 295 B10R1.176 CN1CC[C@H](CN)CC1=O A20770 [0,1,0,1,0,0|2,0,0]=4 296 B10R1.176 CN1CC[C@H](CO)CC1=O H0356 [0,1,0,1,0,0|2,0,0]=4 297 B10R1.182 CON(C)C(=O)C1CCC1 M24689 [0,1,0,1,0,0|2,0,0]=4 298 B10R1.17 BrCCOC1CCCCC1 B47143 [0,1,0,1,0,0|1,0,1]=4 299 B10R1.17 BrCCO[C@@H]1CCCCO1 B43864 [0,1,0,1,0,0|0,0,2]=4 300 B10R1.17 ClCCO[C@@H]1CCCCO1 C43866 [0,1,0,1,0,0|0,0,2]=4 301 B10R1.149 COC(=O)[C@@H]1CCOC1=O M43315 [0,1,0,1,0,0|1,0,1]=4 302 B10R1.181 CCOC(=O)CC1(N)CC1 E17522 [0,1,0,1,0,0|0,0,0]=2 303 B10R1.140 CCOC(=O)C1CC(=O)C1 E1322 [0,1,0,1,0,0|0,0,1]=3 304 B10R1.140 CCOC(=O)C1CC(N)C1 E46491 [0,1,0,1,0,0|0,0,0]=2 305 B10R1.140 CCOC(=O)C1CC(O)C1 SB8081 [0,1,0,1,0,0|0,0,0]=2 306 B10R1.140 CCOC(=O)[C@H]1C[C@@H](O)C1 E13475 [0,1,0,1,0,0|0,0,0]=2 307 B10R1.140 CCOC(=O)[C@H]1C[C@H](O)C1 E10943 [0,1,0,1,0,0|0,0,0]=2 308 B10R1.212 CCOC(=O)[C@@H](Br)C1CC1 E7311 [0,1,0,1,0,0|0,0,0]=2 309 B10R1.401 CCOC(=O)C1(C)CCC1 E61724 [0,1,0,1,0,0|0,0,0]=2 310 B10R2.61 O=C1OC2C=CCC1C2 X38973 [0,0,0,2,0,0|0,0,2]=4 311 B10R2.62 O=C1CN2CCC1CC2 A17311 [0,0,0,2,0,0|2,0,0]=4 312 B10R2.62 O=C1NC2CCC1CC2 A11449 [0,0,0,2,0,0|2,0,0]=4 313 B10R2.71 O=C1CC2CCC(C1)C2 B10791 [0,0,0,2,0,0|1,0,0]=3 314 B10R2.71 O=C1CC2CCC(C1)O2 X10656 [0,0,0,2,0,0|2,0,0]=4 315 B10R2.71 O=C1C[C@@H]2CC[C@H](C1)N2 A0702 [0,0,0,2,0,0|2,0,0]=4 316 B10R2.534 O=C1CCCC2(CC2)C1 S60470 [0,0,0,2,0,0|1,0,0]=3 317 B10R2.534 O=C1CCCC2(CC2)N1 A43767 [0,0,0,2,0,0|2,0,0]=4 318 B10R2.2 O=C1CC2CNCC2C1 O18313 [0,0,0,2,0,0|2,0,0]=4 319 B10R2.2 O=C1CC2CSCC2C1 H20144 [0,0,0,2,0,0|2,0,0]=4 320 B10R2.2 O=C1C[C@@H]2COC[C@@H]2C1 H59788 [0,0,0,2,0,0|2,0,0]=4 321 B10R2.2 O=C1C[C@H]2COC[C@@H]2C1 H59783 [0,0,0,2,0,0|2,0,0]=4 322 B10R2.32 O=C1CCC2CNCC12 H15275 [0,0,0,2,0,0|2,0,0]=4 323 B10R2.32 O=C1NC[C@@H]2CCN[C@H]12 H11258 [0,0,0,2,0,0|2,0,0]=4 324 B10R2.32 O=C1NC[C@H]2CNC[C@@H]12 X59902 [0,0,0,2,0,0|2,0,0]=4 325 B10R2.178 O=C1CCC2CCC1N2 A14807 [0,0,0,2,0,0|2,0,0]=4 326 B10R2.178 O=C1CCC2CCC1N2 A60094 [0,0,0,2,0,0|2,0,0]=4 327 B10R2.178 O=C1NCC2CCC1C2 A43770 [0,0,0,2,0,0|2,0,0]=4 328 B10R2.15 O=C1CCNCC12CC2 A60009 [0,0,0,2,0,0|2,0,0]=4 329 B10R2.15 O=C1CNCCC12CC2 X14882 [0,0,0,2,0,0|2,0,0]=4 330 B10R2.41 O=C1C2CCC1CNC2 O8022 [0,0,0,2,0,0|2,0,0]=4 331 B10R2.190 O=C1NCCC12CCC2 A43768 [0,0,0,2,0,0|1,0,0]=3 332 B10R2.190 O=C1NCCC12CNC2 D17421 [0,0,0,2,0,0|2,0,0]=4 333 B10R2.190 O=C1NCCC12CNC2 D30082 [0,0,0,2,0,0|2,0,0]=4 334 B10R2.485 O=C(CC1CC1)C2CC2 D29645 [0,0,0,2,0,0|1,0,0]=3