0 B8R0.6 CCCC=CC(=O)OC M43802 [0,0,0,0,0,0|1,0,2]=3 1 B8R0.6 CCCCCC(=O)CBr B43868 [0,0,0,0,0,0|1,0,0]=1 2 B8R0.6 CCCCC[C@@H](O)CC X47206 [0,0,0,0,0,0|0,0,2]=2 3 B8R0.6 CCCCNC(=O)CCl B41547 [0,0,0,0,0,0|2,0,0]=2 4 B8R0.6 CNCCCC(=O)OC M43486 [0,0,0,0,0,0|2,0,0]=2 5 B8R0.6 COC(=O)CCCCBr M41523 [0,0,0,0,0,0|2,0,0]=2 6 B8R0.6 COC(=O)CCCCCl M63406 [0,0,0,0,0,0|2,0,0]=2 7 B8R0.6 COC(=O)CCCCN M43490 [0,0,0,0,0,0|2,0,0]=2 8 B8R0.6 COC(=O)COCCCl M41275 [0,0,0,0,0,0|3,0,0]=3 9 B8R0.6 COCCCC(=O)OC M68350 [0,0,0,0,0,0|2,0,0]=2 10 B8R0.6 NCCCC[C@H](N)CO D43570 [0,0,0,0,0,0|3,0,1]=4 11 B7R0.1 BrCCCCCCBr D41534 [1,0,0,0,0,0|2,0,1]=4 12 B7R0.1 CCCCCCCBr B43897 [1,0,0,0,0,0|1,0,1]=3 13 B7R0.1 CCCCCCC[Mg+] H31707 [1,0,0,0,0,0|1,0,1]=3 14 B7R0.1 CCCCCN=[N+]=[N-] A1948 [1,0,0,0,0,0|3,0,0]=4 15 B7R0.1 CNCCCCNC D41624 [1,0,0,0,0,0|2,0,1]=4 16 B7R0.1 ClCCCCCCBr B39200 [1,0,0,0,0,0|2,0,1]=4 17 B7R0.1 ClCCCCCCI C38559 [1,0,0,0,0,0|2,0,1]=4 18 B7R0.1 ICCCCCCI D41535 [1,0,0,0,0,0|2,0,1]=4 19 B7R0.1 NCCCCCCN H68834 [1,0,0,0,0,0|2,0,1]=4 20 B7R0.1 NCCCCCCO A36606 [1,0,0,0,0,0|2,0,1]=4 21 B7R0.1 OCCCCCCBr B41603 [1,0,0,0,0,0|2,0,1]=4 22 B7R0.1 OCCCCCCCl C64682 [1,0,0,0,0,0|2,0,1]=4 23 B7R0.1 OCCCCCCI I4468 [1,0,0,0,0,0|2,0,1]=4 24 B7R0.3 CCCCC(=O)NN P40425 [1,0,0,0,0,0|2,0,0]=3 25 B7R0.3 CCCC[C@@H](N)CO A43512 [1,0,0,0,0,0|2,0,1]=4 26 B7R0.3 CCCC[C@@H]([Mg+])CC E31708 [1,0,0,0,0,0|1,0,1]=3 27 B7R0.3 CCCOC(=O)OC M40388 [1,0,0,0,0,0|2,0,0]=3 28 B7R0.3 CNCCC(=O)OC M40412 [1,0,0,0,0,0|2,0,0]=3 29 B7R0.3 COC(=N)CCCCl M40379 [1,0,0,0,0,0|3,0,0]=4 30 B7R0.3 COC(=O)CCCBr M39189 [1,0,0,0,0,0|2,0,0]=3 31 B7R0.3 COC(=O)CCCCl M60517 [1,0,0,0,0,0|2,0,0]=3 32 B7R0.3 COC(=O)CCCN M32376 [1,0,0,0,0,0|2,0,0]=3 33 B7R0.4 C#CCCCC(=O)O H43301 [1,0,0,0,0,0|1,0,2]=4 34 B7R0.4 CC(=O)CCCCBr B41532 [1,0,0,0,0,0|1,0,0]=2 35 B7R0.4 CC(=O)OCCCBr B41266 [1,0,0,0,0,0|2,0,0]=3 36 B7R0.4 CC(=O)OCCCCl C39190 [1,0,0,0,0,0|2,0,0]=3 37 B7R0.4 CC(C)CCCCBr B43898 [1,0,0,0,0,0|2,0,1]=4 38 B7R0.4 CCCCCB(O)O P38628 [1,0,0,0,0,0|2,0,1]=4 39 B7R0.4 CCCCC[C@H](C)O H43947 [1,0,0,0,0,0|0,0,2]=3 40 B7R0.4 CCCCOC(N)=O B39165 [1,0,0,0,0,0|2,0,0]=3 41 B7R0.4 CCCOCC(=O)O P40387 [1,0,0,0,0,0|2,0,0]=3 42 B7R0.4 CCC\C=C\C(=O)O H41460 [1,0,0,0,0,0|1,0,2]=4 43 B7R0.4 CN(C)CCCCO D41621 [1,0,0,0,0,0|3,0,0]=4 44 B7R0.4 CNCCCC(=O)O M63276 [1,0,0,0,0,0|2,0,0]=3 45 B7R0.4 COCCCC(=O)O M67387 [1,0,0,0,0,0|2,0,0]=3 46 B7R0.4 COCCNC(N)=O M36648 [1,0,0,0,0,0|3,0,0]=4 47 B7R0.4 N#CCCCC(=O)O C41166 [1,0,0,0,0,0|2,0,1]=4 48 B7R0.4 NC(=O)COCCCl C40247 [1,0,0,0,0,0|3,0,0]=4 49 B7R0.4 O=C(O)CCCCBr B39187 [1,0,0,0,0,0|2,0,0]=3 50 B7R0.4 O=C(O)CCCCCl C39191 [1,0,0,0,0,0|2,0,0]=3 51 B7R0.4 O=C(O)CCCCO H37199 [1,0,0,0,0,0|2,0,0]=3 52 B7R0.4 O=C(O)CNCCO H40270 [1,0,0,0,0,0|3,0,0]=4 53 B7R0.4 O=C(O)COCCCl C40236 [1,0,0,0,0,0|3,0,0]=4 54 B7R0.4 O=C([O-])CCCCO S41306 [1,0,0,0,0,0|2,0,0]=3 55 B9R0.1 C=C(C)CCCC(=O)OC M47085 [0,1,0,0,0,0|1,0,1]=3 56 B9R0.1 COC(=O)CCCC(=O)Cl M43405 [0,1,0,0,0,0|2,0,1]=4 57 B9R0.1 COC(=O)CCCC(=O)O M37961 [0,1,0,0,0,0|2,0,1]=4 58 B9R0.1 COC(=O)CCCC(C)=O M62839 [0,1,0,0,0,0|1,0,1]=3 59 B9R0.5 CCC=CCC(=O)OCC E47083 [0,1,0,0,0,0|0,0,2]=3 60 B9R0.5 CCCC=CC(=O)OCC E47082 [0,1,0,0,0,0|0,0,2]=3 61 B9R0.5 CCOC(=O)CCCCBr E39295 [0,1,0,0,0,0|1,0,0]=2 62 B9R0.5 CCOC(=O)CCCCN E46517 [0,1,0,0,0,0|1,0,0]=2 63 B9R0.5 CCOC(=O)CCC[Zn]I E31894 [0,1,0,0,0,0|2,0,0]=3 64 B9R0.5 CCOC(=O)CCN=[N+]=[N-] E5007 [0,1,0,0,0,0|3,0,0]=4 65 B9R0.5 CCOC(=O)COCCCl E41531 [0,1,0,0,0,0|2,0,0]=3 66 B9R0.5 CCOC=CC(=O)OCC E43814 [0,1,0,0,0,0|1,0,2]=4 67 B9R0.5 CCO\C=C\C(=O)OCC E43813 [0,1,0,0,0,0|1,0,2]=4 68 B9R0.8 CCCC[C@H](N)C(=O)OC M46518 [0,1,0,0,0,0|1,0,0]=2 69 B9R0.8 COC(=O)[C@@H](Br)CCCBr M41466 [0,1,0,0,0,0|2,0,0]=3 70 B9R0.24 COC(=O)CCC(=O)CN M68150 [0,1,0,0,0,0|2,0,1]=4 71 B9R0.34 CCCC(=O)CC(=O)OC M39290 [0,1,0,0,0,0|1,0,1]=3 72 B9R0.34 CCOC(=O)CC(=O)CC E43812 [0,1,0,0,0,0|1,0,1]=3 73 B9R0.34 CCOC(=O)CC(=O)CCl E64939 [0,1,0,0,0,0|2,0,1]=4 74 B9R0.46 C=CC(=O)NCCCCO H43842 [0,1,0,0,0,0|1,0,2]=4 75 B9R0.46 CC[C@H](C)CCCCCO M50614 [0,1,0,0,0,0|1,0,1]=3 76 B9R0.46 COC(=O)CCCCCBr M39296 [0,1,0,0,0,0|1,0,0]=2 77 B9R0.46 COC(=O)CCCCCN M67967 [0,1,0,0,0,0|1,0,0]=2 78 B9R0.47 C=C(C)C(=O)NCCCN A46499 [0,1,0,0,0,0|2,0,1]=4 79 B9R0.47 CCCCOC(=O)[C@H](C)N B43923 [0,1,0,0,0,0|1,0,0]=2 80 B9R1.1 CCC1CCC(=O)CC1 E39441 [0,0,0,1,0,0|0,0,0]=1 81 B9R1.1 CCC1CCC(O)CC1 E47155 [0,0,0,1,0,0|0,0,2]=3 82 B9R1.1 CCN1CCC(O)CC1 E23233 [0,0,0,1,0,0|1,0,2]=4 83 B9R1.1 CN1CCC(CN)CC1 M7514 [0,0,0,1,0,0|3,0,0]=4 84 B9R1.1 CN1CCC(CO)CC1 M0388 [0,0,0,1,0,0|3,0,0]=4 85 B9R1.1 CNC1CCC(O)CC1 M43910 [0,0,0,1,0,0|1,0,2]=4 86 B9R1.1 CNC1CCN(C)CC1 M25129 [0,0,0,1,0,0|3,0,0]=4 87 B9R1.1 CN[C@H]1CC[C@@H](O)CC1 M11757 [0,0,0,1,0,0|1,0,2]=4 88 B9R1.1 CN[C@H]1CC[C@@H](O)CC1 M46513 [0,0,0,1,0,0|1,0,2]=4 89 B9R1.1 CN[C@H]1CC[C@H](O)CC1 M11758 [0,0,0,1,0,0|1,0,2]=4 90 B9R1.1 CN[C@H]1CC[C@H](O)CC1 M26528 [0,0,0,1,0,0|1,0,2]=4 91 B9R1.1 COC1CCC(N)CC1 M43906 [0,0,0,1,0,0|2,0,1]=4 92 B9R1.1 COC1CCC(O)CC1 M43887 [0,0,0,1,0,0|1,0,2]=4 93 B9R1.1 CO[C@H]1CC[C@H](N)CC1 M43914 [0,0,0,1,0,0|2,0,1]=4 94 B9R1.1 CO[C@H]1CC[C@H](O)CC1 M43889 [0,0,0,1,0,0|1,0,2]=4 95 B9R1.1 N#CC1CCC(=O)CC1 X46386 [0,0,0,1,0,0|1,0,1]=3 96 B9R1.1 NC[C@H]1CCC(=O)NC1 A10714 [0,0,0,1,0,0|2,0,0]=3 97 B9R1.1 NC[C@H]1CC[C@@H](O)CC1 A13284 [0,0,0,1,0,0|1,0,2]=4 98 B9R1.1 NC[C@H]1CC[C@H](O)CC1 A10700 [0,0,0,1,0,0|1,0,2]=4 99 B9R1.1 NC[C@H]1CC[C@H](O)CC1 A18732 [0,0,0,1,0,0|1,0,2]=4 100 B9R1.1 N[C@H]1CC[C@@H](CO)CC1 A12151 [0,0,0,1,0,0|2,0,1]=4 101 B9R1.1 N[C@H]1CC[C@H](CO)CC1 A12152 [0,0,0,1,0,0|2,0,1]=4 102 B9R1.1 N[C@H]1CC[C@H](CO)CC1 A19999 [0,0,0,1,0,0|2,0,1]=4 103 B9R1.1 O=C1CC[C@H](CO)CN1 H38263 [0,0,0,1,0,0|2,0,0]=3 104 B9R1.1 O=C1CO[C@@H](CO)CN1 H26506 [0,0,0,1,0,0|3,0,0]=4 105 B9R1.1 O=C1CO[C@@H](CO)CN1 H41263 [0,0,0,1,0,0|3,0,0]=4 106 B9R1.1 O=C1CO[C@H](CO)CN1 H25634 [0,0,0,1,0,0|3,0,0]=4 107 B9R1.1 O=CC1CCC(=O)CC1 X43715 [0,0,0,1,0,0|1,0,1]=3 108 B9R1.2 CC1CCCC(CO)N1 M13497 [0,0,0,1,0,0|2,0,1]=4 109 B9R1.3 CC1C(=O)CCCC1=O M69234 [0,0,0,1,0,0|1,0,1]=3 110 B9R1.3 CC1CCCC(O)C1C D47156 [0,0,0,1,0,0|0,0,2]=3 111 B9R1.3 CN1C(=O)CCCC1=O M37753 [0,0,0,1,0,0|2,0,1]=4 112 B9R1.5 CN1CCCCCC1=O M39292 [0,0,0,1,0,0|1,0,0]=2 113 B9R1.5 CN1CCCNCC1=O M1178 [0,0,0,1,0,0|2,0,0]=3 114 B9R1.5 CN1CCNCCC1=O M41536 [0,0,0,1,0,0|2,0,0]=3 115 B9R1.5 CN1CCNCCC1=O M43468 [0,0,0,1,0,0|2,0,0]=3 116 B9R1.5 N[C@@H]1CCCCNC1=O A43466 [0,0,0,1,0,0|2,0,0]=3 117 B9R1.5 N[C@H]1CCCCNC1=O A24830 [0,0,0,1,0,0|2,0,0]=3 118 B9R1.5 N[C@H]1CCCCNC1=O A43463 [0,0,0,1,0,0|2,0,0]=3 119 B9R1.7 CCC[C@H]1COC(=O)C1 P43806 [0,0,0,1,0,0|1,0,0]=2 120 B9R1.7 CCN[C@H]1CCN(C)C1 E11171 [0,0,0,1,0,0|3,0,0]=4 121 B9R1.7 CN1CC[C@H](CCN)C1 M10321 [0,0,0,1,0,0|3,0,0]=4 122 B9R1.7 CN1CC[C@H](CCO)C1 M7517 [0,0,0,1,0,0|3,0,0]=4 123 B9R1.11 CCC(C)C1CCNC1 M69776 [0,0,0,1,0,0|2,0,1]=4 124 B9R1.11 CNC(=O)[C@@H]1CCCN1 M43471 [0,0,0,1,0,0|2,0,0]=3 125 B9R1.11 COC(=O)C1=CCCC1 M43720 [0,0,0,1,0,0|1,0,2]=4 126 B9R1.11 COC(=O)C1CC=CC1 M13554 [0,0,0,1,0,0|1,0,2]=4 127 B9R1.11 COC(=O)C1CCCC1 M43805 [0,0,0,1,0,0|1,0,0]=2 128 B9R1.11 COC(=O)[C@@H]1CCCN1 M38491 [0,0,0,1,0,0|2,0,0]=3 129 B9R1.11 COC(=O)[C@@H]1CCNC1 M20211 [0,0,0,1,0,0|2,0,0]=3 130 B9R1.11 COC(=O)[C@@H]1CCNC1 M25987 [0,0,0,1,0,0|2,0,0]=3 131 B9R1.11 COC(=O)[C@@H]1CCOC1 M10323 [0,0,0,1,0,0|2,0,0]=3 132 B9R1.11 COC(=O)[C@H]1CCNC1 E6960 [0,0,0,1,0,0|2,0,0]=3 133 B9R1.11 COC(=O)[C@H]1CCNC1 M10274 [0,0,0,1,0,0|2,0,0]=3 134 B9R1.11 COC(=O)[C@H]1CCNC1 M20204 [0,0,0,1,0,0|2,0,0]=3 135 B9R1.11 COC(=O)[C@H]1CCNC1 P12312 [0,0,0,1,0,0|2,0,0]=3 136 B9R1.11 COC(=O)[C@H]1CCOC1 M12450 [0,0,0,1,0,0|2,0,0]=3 137 B9R1.11 COC(=O)[C@H]1CCOC1 M7564 [0,0,0,1,0,0|2,0,0]=3 138 B9R1.11 NNC(=O)[C@H]1CCOC1 T15050 [0,0,0,1,0,0|3,0,0]=4 139 B9R1.49 CN1CCC[C@H](N)CC1 M0131 [0,0,0,1,0,0|2,0,1]=4 140 B9R1.49 CN1CCC[C@H](O)CC1 H12303 [0,0,0,1,0,0|1,0,2]=4 141 B9R1.49 CN1CCNC(=O)CC1 M10175 [0,0,0,1,0,0|2,0,0]=3 142 B9R1.49 N[C@H]1CCCC(=O)NC1 A43464 [0,0,0,1,0,0|2,0,0]=3 143 B9R1.49 O=C1CCC[C@H](O)CN1 H41499 [0,0,0,1,0,0|2,0,0]=3 144 B9R1.50 O=C1CCCCCCC1 C67881 [0,0,0,1,0,0|0,0,0]=1 145 B9R1.50 O=C1CCCCCCN1 A69570 [0,0,0,1,0,0|1,0,0]=2 146 B9R1.79 COC(=O)CC1CNC1 M0406 [0,0,0,1,0,0|2,0,0]=3 147 B9R1.79 COC(=O)CC1CNC1 M37284 [0,0,0,1,0,0|2,0,0]=3 148 B9R1.79 COC(=O)CC1COC1 M0309 [0,0,0,1,0,0|2,0,0]=3 149 B9R1.81 COC(=O)C1CNC1C M21134 [0,0,0,1,0,0|2,0,0]=3 150 B9R1.81 COC(=O)[C@@H]1CC[C@@H]1N M10731 [0,0,0,1,0,0|2,0,0]=3 151 B9R1.88 COC(=O)C1CC1CN M27272 [0,0,0,1,0,0|2,0,0]=3 152 B9R1.88 COC(=O)[C@H]1C[C@@H]1CO M59717 [0,0,0,1,0,0|2,0,0]=3 153 B9R1.89 COC1=NCCCCC1 M43840 [0,0,0,1,0,0|2,0,0]=3 154 B9R1.89 NCC1CCCCCC1 C49582 [0,0,0,1,0,0|2,0,1]=4 155 B9R1.89 OC[C@@H]1CCCCCN1 A64396 [0,0,0,1,0,0|2,0,1]=4 156 B9R1.118 CCC1(N)CCOCC1 E29635 [0,0,0,1,0,0|2,0,1]=4 157 B9R1.118 CCC1(O)CCNCC1 E1770 [0,0,0,1,0,0|1,0,2]=4 158 B9R1.118 CCC1(O)CCNCC1 E7766 [0,0,0,1,0,0|1,0,2]=4 159 B9R1.118 NCC1(N)CCCCC1 A62273 [0,0,0,1,0,0|2,0,1]=4 160 B9R1.118 NCC1(O)CCCCC1 A63077 [0,0,0,1,0,0|1,0,2]=4 161 B6R0.6 C=CCCCCBr B9212 [2,0,0,0,0,0|1,0,1]=4 162 B6R0.6 C=CCCCCO H41549 [2,0,0,0,0,0|1,0,1]=4 163 B6R0.6 C=CCCCC[Mg+] H5025 [2,0,0,0,0,0|1,0,1]=4 164 B6R0.6 CC=CCCCO H41548 [2,0,0,0,0,0|1,0,1]=4 165 B6R0.6 CCCCCC[Mg+] H31703 [2,0,0,0,0,0|1,0,0]=3 166 B6R0.6 CCCCCNC M41618 [2,0,0,0,0,0|1,0,0]=3 167 B6R0.6 CCC\C=C\CO H41550 [2,0,0,0,0,0|1,0,1]=4 168 B6R0.6 CNCCCCBr B40429 [2,0,0,0,0,0|2,0,0]=4 169 B6R0.6 CNCCCCO M38840 [2,0,0,0,0,0|2,0,0]=4 170 B6R0.6 COCCCCBr B40422 [2,0,0,0,0,0|2,0,0]=4 171 B6R0.6 ClCCCCCBr B39164 [2,0,0,0,0,0|2,0,0]=4 172 B6R0.6 FCCCCCBr B37978 [2,0,0,0,0,0|2,0,0]=4 173 B6R0.6 ICCCCCI D24633 [2,0,0,0,0,0|2,0,0]=4 174 B6R0.6 O=CCCCCCl C41277 [2,0,0,0,0,0|1,0,0]=3 175 B6R0.6 O=CCCCCO H32202 [2,0,0,0,0,0|1,0,0]=3 176 B6R0.1 CC=CC(=O)CC H41457 [2,0,0,0,0,0|0,0,2]=4 177 B6R0.1 CCC[C@@H](Cl)CC C63946 [2,0,0,0,0,0|1,0,1]=4 178 B6R0.1 CCOC(=O)CN G69291 [2,0,0,0,0,0|2,0,0]=4 179 B6R0.1 CCOC(=O)CO E37817 [2,0,0,0,0,0|2,0,0]=4 180 B6R0.1 CCOC(=O)OC E40254 [2,0,0,0,0,0|2,0,0]=4 181 B6R0.1 CNC(=O)CCN A40306 [2,0,0,0,0,0|2,0,0]=4 182 B6R0.1 COC(=O)CCBr M39155 [2,0,0,0,0,0|2,0,0]=4 183 B6R0.1 COC(=O)CCN M67902 [2,0,0,0,0,0|2,0,0]=4 184 B6R0.1 COC(=O)CCO M24551 [2,0,0,0,0,0|2,0,0]=4 185 B6R0.4 CC(=O)CCCCl C68599 [2,0,0,0,0,0|1,0,0]=3 186 B6R0.4 CC(=O)NCCN A68626 [2,0,0,0,0,0|2,0,0]=4 187 B6R0.4 CC(=O)NCCO H68625 [2,0,0,0,0,0|2,0,0]=4 188 B6R0.4 CC(=O)OCCBr B67892 [2,0,0,0,0,0|2,0,0]=4 189 B6R0.4 CCCCC(=N)N P41343 [2,0,0,0,0,0|2,0,0]=4 190 B6R0.4 CCCCC(=O)[O-] S38573 [2,0,0,0,0,0|1,0,0]=3 191 B6R0.4 CCCOC(N)=O P40264 [2,0,0,0,0,0|2,0,0]=4 192 B6R0.4 CNCCC(=O)O M40350 [2,0,0,0,0,0|2,0,0]=4 193 B6R0.4 COCCC(=O)O M40255 [2,0,0,0,0,0|2,0,0]=4 194 B6R0.4 NCCCC(N)=O A40304 [2,0,0,0,0,0|2,0,0]=4 195 B6R0.4 O=C(O)CCCBr B39154 [2,0,0,0,0,0|2,0,0]=4 196 B6R0.4 O=C(O)CCCCl C40232 [2,0,0,0,0,0|2,0,0]=4 197 B8R0.1 CCCC[C@H](N)CCO A62132 [1,1,0,0,0,0|1,0,1]=4 198 B8R0.4 BrCCCCCCCBr D43869 [1,1,0,0,0,0|1,0,1]=4 199 B8R0.4 CCCCCCCNC M47212 [1,1,0,0,0,0|0,0,1]=3 200 B8R0.4 CCOCCOCCO E60752 [1,1,0,0,0,0|2,0,0]=4 201 B8R0.4 COCCCCCCBr B43941 [1,1,0,0,0,0|1,0,1]=4 202 B8R0.4 OCCCCCCCBr B43940 [1,1,0,0,0,0|1,0,1]=4 203 B8R0.7 CC(C)NCCCCO I38536 [1,1,0,0,0,0|2,0,0]=4 204 B8R0.7 CCCCCC[C@@H](C)O X47207 [1,1,0,0,0,0|0,0,1]=3 205 B8R0.7 CCNCCCN(C)C E11170 [1,1,0,0,0,0|2,0,0]=4 206 B8R0.3 CCC[C@@H](N)C(=O)OC M66692 [1,1,0,0,0,0|1,0,0]=3 207 B8R0.3 CCC[C@H](N)C(=O)OC M43489 [1,1,0,0,0,0|1,0,0]=3 208 B8R0.3 CCN[C@@H](C)C(=O)OC M32327 [1,1,0,0,0,0|2,0,0]=4 209 B8R0.3 CCOC(=O)C(=O)CC E67705 [1,1,0,0,0,0|1,0,1]=4 210 B8R0.3 COC[C@@H](N)C(=O)OC M38225 [1,1,0,0,0,0|2,0,0]=4 211 B8R0.8 CCCCC(=O)[C@H](C)N A46508 [1,1,0,0,0,0|0,0,0]=2 212 B8R0.11 CCCC[C@H](CC)CBr E67613 [1,1,0,0,0,0|1,0,1]=4 213 B8R0.11 CCCC[C@H](CC)CO E60781 [1,1,0,0,0,0|0,0,2]=4 214 B8R0.11 CCCC[C@H](CC)C[Mg+] E31710 [1,1,0,0,0,0|1,0,1]=4 215 B8R0.19 CCC(=O)CC(=O)CC H43801 [1,1,0,0,0,0|0,0,1]=3 216 B8R0.19 CCC(=O)CC(=O)OC M39036 [1,1,0,0,0,0|1,0,1]=4 217 B8R0.19 CC[C@H](N)CC(=O)OC M43495 [1,1,0,0,0,0|1,0,0]=3 218 B8R0.19 COC(=O)C[C@@H](O)CCl M41276 [1,1,0,0,0,0|2,0,0]=4 219 B8R0.25 CCS(=O)(=O)CCCO E4265 [1,1,0,0,0,0|2,0,0]=4 220 B8R0.25 CCS(=O)(=O)CCOC E2827 [1,1,0,0,0,0|2,0,0]=4 221 B8R0.5 CCC[C@H](N)CC(=O)O A43488 [1,1,0,0,0,0|1,0,0]=3 222 B8R0.21 CCCCCS(=O)(=O)[O-] S40421 [1,1,0,0,0,0|2,0,0]=4 223 B8R0.21 CCCCCS(N)(=O)=O P29872 [1,1,0,0,0,0|2,0,0]=4 224 B8R0.21 CCCCOS(C)(=O)=O B69150 [1,1,0,0,0,0|2,0,0]=4 225 B8R0.28 CC(=O)CCC=C(C)C M68353 [1,1,0,0,0,0|0,0,2]=4 226 B8R0.28 CC(=O)CCCC(=O)O A41468 [1,1,0,0,0,0|1,0,1]=4 227 B8R0.28 CN(C)CCCC(=O)O D43497 [1,1,0,0,0,0|2,0,0]=4 228 B10R0.3 C=C(C)CCCC(=O)OCC E50504 [0,2,0,0,0,0|0,0,1]=3 229 B10R0.3 CC(C)CCC[C@H](C)CCBr B53343 [0,2,0,0,0,0|1,0,1]=4 230 B10R0.3 CCOC(=O)CCCC(=O)O E43824 [0,2,0,0,0,0|1,0,1]=4 231 B10R0.3 CCOC(=O)CCCC(C)=O E47092 [0,2,0,0,0,0|0,0,1]=3 232 B10R0.44 COC(=O)CC(=O)CC(C)C M47097 [0,2,0,0,0,0|1,0,1]=4 233 B10R0.82 CCC(=O)CC[C@H](C)[N+](=O)[O-] N43854 [0,2,0,0,0,0|2,0,0]=4 234 B10R0.1 CCOC(=O)CCCCCBr E39444 [0,2,0,0,0,0|0,0,0]=2 235 B10R0.1 CCOC(=O)CCCCCO E47160 [0,2,0,0,0,0|0,0,0]=2 236 B10R0.1 CCOC(=O)CCCN=[N+]=[N-] E3898 [0,2,0,0,0,0|2,0,0]=4 237 B10R0.1 CCOC(=O)CNCCC#N E46482 [0,2,0,0,0,0|1,0,1]=4 238 B10R0.2 CCCC(=O)CC(=O)OCC E47091 [0,2,0,0,0,0|0,0,1]=3 239 B10R0.2 CCC[C@H](O)CC(=O)OCC E47159 [0,2,0,0,0,0|0,0,0]=2 240 B10R0.2 CCOC(=N)CC(=O)OCC E37761 [0,2,0,0,0,0|1,0,1]=4 241 B10R0.2 CCOC(=O)CC(=O)COC E69590 [0,2,0,0,0,0|1,0,1]=4 242 B10R0.2 CCOC(=O)C[C@H](O)CC#N E67509 [0,2,0,0,0,0|1,0,1]=4 243 B10R0.19 CCCCC(=O)C(=O)OCC E12153 [0,2,0,0,0,0|0,0,1]=3 244 B10R0.19 CCOC(=O)[C@@H](N)CCCN E63673 [0,2,0,0,0,0|1,0,0]=3 245 B10R0.83 COC(=O)[C@H](N)CCCCN M46606 [0,2,0,0,0,0|1,0,0]=3 246 B10R0.91 CCCCCC(=O)OCCC P50580 [0,2,0,0,0,0|0,0,0]=2 247 B10R0.45 COC(=O)CCC(OC)OC M69673 [0,2,0,0,0,0|2,0,0]=4 248 B10R0.18 CCCCC(=O)CC(=O)OC M47093 [0,2,0,0,0,0|1,0,0]=3 249 B10R0.26 CCOC(=O)CC(=O)C(C)C E47096 [0,2,0,0,0,0|1,0,1]=4 250 B10R0.55 COC(=O)CCCCC(=O)[O-] M43784 [0,2,0,0,0,0|1,0,1]=4 251 B10R0.55 COC(=O)CCCCC(C)=O M47094 [0,2,0,0,0,0|1,0,0]=3 252 B10R0.74 CCCCCCCC(=O)NO X67416 [0,2,0,0,0,0|2,0,0]=4 253 B10R0.74 CC\C=C/CCOC(=O)CC H39554 [0,2,0,0,0,0|0,0,1]=3 254 B10R0.74 COC(=O)CCCCCCBr M47141 [0,2,0,0,0,0|1,0,0]=3 255 B10R0.74 COC(=O)CCCCCCN M49584 [0,2,0,0,0,0|1,0,0]=3 256 B10R0.74 NCC(=O)NCCCCCBr A43903 [0,2,0,0,0,0|1,0,0]=3 257 B8R1.2 BrCC1=CCCCC1 B10308 [1,0,0,1,0,0|1,0,1]=4 258 B8R1.2 BrCC1CCCCC1 B43832 [1,0,0,1,0,0|1,0,1]=4 259 B8R1.2 BrCC1CCNCC1 B1292 [1,0,0,1,0,0|2,0,0]=4 260 B8R1.2 BrCC1CCOCC1 B3933 [1,0,0,1,0,0|2,0,0]=4 261 B8R1.2 CCN1CCNCC1 E13368 [1,0,0,1,0,0|2,0,0]=4 262 B8R1.2 CC[C@H]1CCCCN1 E46502 [1,0,0,1,0,0|1,0,1]=4 263 B8R1.2 CNC1CCNCC1 M13774 [1,0,0,1,0,0|2,0,0]=4 264 B8R1.2 CNC1CCOCC1 M10218 [1,0,0,1,0,0|2,0,0]=4 265 B8R1.2 COC1CCNCC1 M0482 [1,0,0,1,0,0|2,0,0]=4 266 B8R1.2 COC1CCNCC1 M1164 [1,0,0,1,0,0|2,0,0]=4 267 B8R1.2 FCC1CCNCC1 F1237 [1,0,0,1,0,0|2,0,0]=4 268 B8R1.2 FCC1CCNCC1 F14211 [1,0,0,1,0,0|2,0,0]=4 269 B8R1.2 ICC1CCCCC1 I38363 [1,0,0,1,0,0|1,0,1]=4 270 B8R1.2 ICC1CCOCC1 I10217 [1,0,0,1,0,0|2,0,0]=4 271 B8R1.2 NCC1CCCCC1 C43900 [1,0,0,1,0,0|1,0,1]=4 272 B8R1.2 NCC1CCOCC1 T1166 [1,0,0,1,0,0|2,0,0]=4 273 B8R1.2 NCC1CCSCC1 T13090 [1,0,0,1,0,0|2,0,0]=4 274 B8R1.2 OCC1CCNCC1 P0766 [1,0,0,1,0,0|2,0,0]=4 275 B8R1.2 OCC1CCOCC1 H0390 [1,0,0,1,0,0|2,0,0]=4 276 B8R1.2 OCC1CCSCC1 T13093 [1,0,0,1,0,0|2,0,0]=4 277 B8R1.2 OC[C@@H]1CC=CCC1 C43800 [1,0,0,1,0,0|1,0,1]=4 278 B8R1.2 [Mg+]CC1CCCCC1 C31706 [1,0,0,1,0,0|1,0,1]=4 279 B8R1.5 C[C@@H]1CCCC[C@@H]1N M46507 [1,0,0,1,0,0|1,0,1]=4 280 B8R1.8 CCO[C@@H]1CCNC1 E13930 [1,0,0,1,0,0|2,0,0]=4 281 B8R1.8 CCO[C@H]1CCNC1 E14045 [1,0,0,1,0,0|2,0,0]=4 282 B8R1.8 CNC[C@H]1CCOC1 M1347 [1,0,0,1,0,0|2,0,0]=4 283 B8R1.8 COC[C@@H]1CCNC1 M14792 [1,0,0,1,0,0|2,0,0]=4 284 B8R1.8 COC[C@@H]1CCNC1 M31656 [1,0,0,1,0,0|2,0,0]=4 285 B8R1.8 COC[C@H]1CCNC1 M14793 [1,0,0,1,0,0|2,0,0]=4 286 B8R1.8 COC[C@H]1CCNC1 M26667 [1,0,0,1,0,0|2,0,0]=4 287 B8R1.8 COC[C@H]1CCNC1 M41581 [1,0,0,1,0,0|2,0,0]=4 288 B8R1.8 NCCC1CCCC1 C46503 [1,0,0,1,0,0|1,0,1]=4 289 B8R1.8 OCC[C@H]1CCNC1 P29904 [1,0,0,1,0,0|2,0,0]=4 290 B8R1.22 CN1CCCNCC1 M1344 [1,0,0,1,0,0|2,0,0]=4 291 B8R1.22 C[C@H]1CCNCCN1 M13937 [1,0,0,1,0,0|2,0,0]=4 292 B8R1.22 F[C@H]1CCCNCC1 F12235 [1,0,0,1,0,0|2,0,0]=4 293 B8R1.22 O[C@H]1CCCNCC1 H12234 [1,0,0,1,0,0|2,0,0]=4 294 B8R1.1 NC[C@@H]1CCC(=O)N1 A19938 [1,0,0,1,0,0|2,0,0]=4 295 B8R1.1 NC[C@@H]1CNC(=O)C1 A15732 [1,0,0,1,0,0|2,0,0]=4 296 B8R1.1 NC[C@@H]1CNC(=O)C1 A27672 [1,0,0,1,0,0|2,0,0]=4 297 B8R1.1 NC[C@@H]1CNC(=O)C1 A7263 [1,0,0,1,0,0|2,0,0]=4 298 B8R1.1 NC[C@H]1CCC(=O)N1 A64040 [1,0,0,1,0,0|2,0,0]=4 299 B8R1.1 NC[C@H]1CNC(=O)C1 A18478 [1,0,0,1,0,0|2,0,0]=4 300 B8R1.1 NC[C@H]1CNC(=O)C1 A27671 [1,0,0,1,0,0|2,0,0]=4 301 B8R1.1 O=C1CC[C@@H](CBr)N1 B41220 [1,0,0,1,0,0|2,0,0]=4 302 B8R1.1 O=C1CC[C@@H](CO)N1 H21817 [1,0,0,1,0,0|2,0,0]=4 303 B8R1.1 O=C1CC[C@@H](CO)O1 H41229 [1,0,0,1,0,0|2,0,0]=4 304 B8R1.1 O=C1CC[C@H](CBr)N1 B32099 [1,0,0,1,0,0|2,0,0]=4 305 B8R1.1 O=C1CC[C@H](CBr)O1 B66357 [1,0,0,1,0,0|2,0,0]=4 306 B8R1.1 O=C1CC[C@H](CI)N1 I2851 [1,0,0,1,0,0|2,0,0]=4 307 B8R1.1 O=C1CC[C@H](CI)O1 I2850 [1,0,0,1,0,0|2,0,0]=4 308 B8R1.1 O=C1CC[C@H](CO)N1 H24798 [1,0,0,1,0,0|2,0,0]=4 309 B8R1.1 O=C1CC[C@H](CO)N1 H7102 [1,0,0,1,0,0|2,0,0]=4 310 B8R1.1 O=C1CC[C@H](CO)O1 H5013 [1,0,0,1,0,0|2,0,0]=4 311 B8R1.1 O=C1C[C@H](CO)CN1 H14660 [1,0,0,1,0,0|2,0,0]=4 312 B8R1.3 CC1CCC(=O)CC1 M39288 [1,0,0,1,0,0|0,0,0]=2 313 B8R1.3 CC1CCC(O)CC1 M61965 [1,0,0,1,0,0|0,0,2]=4 314 B8R1.3 CN1CCC(=O)CC1 M28326 [1,0,0,1,0,0|1,0,0]=3 315 B8R1.3 C[C@@H]1CNC(=O)CN1 M29571 [1,0,0,1,0,0|2,0,0]=4 316 B8R1.3 C[C@H]1CCC(=O)NC1 P23074 [1,0,0,1,0,0|1,0,0]=3 317 B8R1.3 C[C@H]1CC[C@@H](N)CC1 M46505 [1,0,0,1,0,0|1,0,1]=4 318 B8R1.3 C[C@H]1CC[C@H](N)CC1 M46506 [1,0,0,1,0,0|1,0,1]=4 319 B8R1.3 C[C@H]1CC[C@H](N)CC1 M68368 [1,0,0,1,0,0|1,0,1]=4 320 B8R1.3 C[C@H]1CNC(=O)CN1 M17917 [1,0,0,1,0,0|2,0,0]=4 321 B8R1.3 NC1CCC(=O)CC1 A38581 [1,0,0,1,0,0|1,0,0]=3 322 B8R1.3 N[C@H]1CCC(=O)NC1 A0587 [1,0,0,1,0,0|2,0,0]=4 323 B8R1.3 O=C1CCC(O)CC1 H18838 [1,0,0,1,0,0|1,0,0]=3 324 B8R1.3 O=C1CC[C@H](O)CN1 H22093 [1,0,0,1,0,0|2,0,0]=4 325 B8R1.38 COC(=O)C1CNC1 M5857 [1,0,0,1,0,0|2,0,0]=4 326 B8R1.38 COC(=O)C1COC1 M15764 [1,0,0,1,0,0|2,0,0]=4 327 B8R1.38 COC(=O)[C@@H]1CCN1 M11233 [1,0,0,1,0,0|2,0,0]=4 328 B8R1.38 COC(=O)[C@@H]1CCN1 M11611 [1,0,0,1,0,0|2,0,0]=4 329 B8R1.38 COC(=O)[C@H]1CCN1 M11612 [1,0,0,1,0,0|2,0,0]=4 330 B8R1.38 NNC(=O)C1CCC1 C12362 [1,0,0,1,0,0|2,0,0]=4 331 B8R1.40 COC(=O)CC1CC1 M11217 [1,0,0,1,0,0|1,0,0]=3 332 B8R1.40 O=C(CCl)NC1CC1 C41221 [1,0,0,1,0,0|2,0,0]=4 333 B8R1.50 CC1C(=O)CCC1=O M25293 [1,0,0,1,0,0|1,0,1]=4 334 B8R1.52 CC[N+]1(C)CCCC1 E46620 [1,0,0,1,0,0|2,0,0]=4 335 B8R1.4 CN1CCCC(=O)C1 M13651 [1,0,0,1,0,0|1,0,0]=3 336 B8R1.4 CN1CCNC(=O)C1 M6975 [1,0,0,1,0,0|2,0,0]=4 337 B8R1.4 CN1CCOC(=O)C1 M41260 [1,0,0,1,0,0|2,0,0]=4 338 B8R1.4 C[C@@H]1CC(=O)CCN1 M10735 [1,0,0,1,0,0|1,0,0]=3 339 B8R1.4 C[C@@H]1CC(=O)CCO1 M11329 [1,0,0,1,0,0|1,0,0]=3 340 B8R1.4 C[C@@H]1CNCC(=O)N1 M13313 [1,0,0,1,0,0|2,0,0]=4 341 B8R1.4 C[C@@H]1COCC(=O)N1 M17373 [1,0,0,1,0,0|2,0,0]=4 342 B8R1.4 C[C@H]1CC(=O)CCN1 M10734 [1,0,0,1,0,0|1,0,0]=3 343 B8R1.4 C[C@H]1CC(=O)CCN1 M19737 [1,0,0,1,0,0|1,0,0]=3 344 B8R1.4 C[C@H]1CC(=O)CCN1 M8156 [1,0,0,1,0,0|1,0,0]=3 345 B8R1.4 C[C@H]1CC(=O)CCO1 M11328 [1,0,0,1,0,0|1,0,0]=3 346 B8R1.4 C[C@H]1CC(=O)CCO1 M14197 [1,0,0,1,0,0|1,0,0]=3 347 B8R1.4 C[C@H]1CCCC(=O)N1 M23832 [1,0,0,1,0,0|1,0,0]=3 348 B8R1.4 C[C@H]1CCNC(=O)C1 M23793 [1,0,0,1,0,0|1,0,0]=3 349 B8R1.4 C[C@H]1CNCC(=O)N1 M11164 [1,0,0,1,0,0|2,0,0]=4 350 B8R1.4 N[C@H]1CCNC(=O)C1 A0054 [1,0,0,1,0,0|2,0,0]=4 351 B8R1.4 N[C@H]1CCNC(=O)C1 A37105 [1,0,0,1,0,0|2,0,0]=4 352 B8R1.4 O=C1CCCC(=O)C1 C38740 [1,0,0,1,0,0|1,0,1]=4 353 B8R1.4 O=C1C[C@@H](O)CCN1 H38902 [1,0,0,1,0,0|2,0,0]=4 354 B8R1.4 O=C1C[C@@H](O)CCN1 H41262 [1,0,0,1,0,0|2,0,0]=4 355 B8R1.7 CC(=O)C1CCCC1 C69351 [1,0,0,1,0,0|0,0,0]=2 356 B8R1.7 CC(=O)[C@H]1NCCS1 T41381 [1,0,0,1,0,0|2,0,0]=4 357 B8R1.7 C[C@H](N)C1CCCC1 C31670 [1,0,0,1,0,0|1,0,1]=4 358 B8R1.7 NC(=O)[C@@H]1CCCN1 P23637 [1,0,0,1,0,0|2,0,0]=4 359 B8R1.7 NC(=O)[C@@H]1CCCN1 P64914 [1,0,0,1,0,0|2,0,0]=4 360 B8R1.7 NC(=O)[C@@H]1CCCN1 P67734 [1,0,0,1,0,0|2,0,0]=4 361 B8R1.7 NC(=O)[C@@H]1CCNC1 P0296 [1,0,0,1,0,0|2,0,0]=4 362 B8R1.7 NC(=O)[C@H]1CCCN1 P40370 [1,0,0,1,0,0|2,0,0]=4 363 B8R1.7 NC(=O)[C@H]1CCNC1 P0295 [1,0,0,1,0,0|2,0,0]=4 364 B8R1.7 NC(=O)[C@H]1CCNC1 P1146 [1,0,0,1,0,0|2,0,0]=4 365 B8R1.7 NC(=O)[C@H]1CCNC1 P7510 [1,0,0,1,0,0|2,0,0]=4 366 B8R1.7 NC(=O)[C@H]1CCNC1 P7511 [1,0,0,1,0,0|2,0,0]=4 367 B8R1.7 NC(=O)[C@H]1CCOC1 T11900 [1,0,0,1,0,0|2,0,0]=4 368 B8R1.7 O=C(Cl)[C@H]1CCOC1 T41177 [1,0,0,1,0,0|2,0,0]=4 369 B8R1.7 O=C(O)C1CCCC1 C23144 [1,0,0,1,0,0|1,0,0]=3 370 B8R1.7 O=C(O)[C@@H]1CCCN1 P69799 [1,0,0,1,0,0|2,0,0]=4 371 B8R1.7 O=C(O)[C@@H]1CCCO1 T37842 [1,0,0,1,0,0|2,0,0]=4 372 B8R1.7 O=C(O)[C@@H]1CCCO1 X25975 [1,0,0,1,0,0|2,0,0]=4 373 B8R1.7 O=C(O)[C@@H]1CCCS1 T41225 [1,0,0,1,0,0|2,0,0]=4 374 B8R1.7 O=C(O)[C@@H]1CCNC1 P12309 [1,0,0,1,0,0|2,0,0]=4 375 B8R1.7 O=C(O)[C@@H]1CCNC1 P6961 [1,0,0,1,0,0|2,0,0]=4 376 B8R1.7 O=C(O)[C@@H]1CCOC1 T1673 [1,0,0,1,0,0|2,0,0]=4 377 B8R1.7 O=C(O)[C@H]1CCCO1 T25974 [1,0,0,1,0,0|2,0,0]=4 378 B8R1.7 O=C(O)[C@H]1CCNC1 P1152 [1,0,0,1,0,0|2,0,0]=4 379 B8R1.7 O=C(O)[C@H]1CCNC1 P1524 [1,0,0,1,0,0|2,0,0]=4 380 B8R1.7 O=C(O)[C@H]1CCNC1 P15767 [1,0,0,1,0,0|2,0,0]=4 381 B8R1.7 O=C(O)[C@H]1CCNC1 P41372 [1,0,0,1,0,0|2,0,0]=4 382 B8R1.7 O=C(O)[C@H]1CCOC1 T0394 [1,0,0,1,0,0|2,0,0]=4 383 B8R1.7 O=C(O)[C@H]1CCOC1 T0395 [1,0,0,1,0,0|2,0,0]=4 384 B8R1.31 CC1NCC1C(=O)O M27890 [1,0,0,1,0,0|2,0,0]=4 385 B8R1.31 CN1CC[C@@H]1C(=O)O M22677 [1,0,0,1,0,0|2,0,0]=4 386 B8R1.31 C[C@@H]1CN[C@@H]1C(=O)O A30118 [1,0,0,1,0,0|2,0,0]=4 387 B8R1.31 N[C@@H]1CC[C@@H]1C(=O)O A13712 [1,0,0,1,0,0|2,0,0]=4 388 B8R1.31 N[C@@H]1CC[C@H]1C(=O)O A13711 [1,0,0,1,0,0|2,0,0]=4 389 B8R1.31 N[C@H]1CC[C@@H]1C(=O)O A13334 [1,0,0,1,0,0|2,0,0]=4 390 B8R1.31 N[C@H]1CC[C@H]1C(=O)O A13518 [1,0,0,1,0,0|2,0,0]=4 391 B8R1.31 N[C@H]1CC[C@H]1C(=O)O A29882 [1,0,0,1,0,0|2,0,0]=4 392 B8R1.31 O=C(O)C1CCC1F F59749 [1,0,0,1,0,0|2,0,0]=4 393 B8R1.34 CC(=O)NC1CNC1 A1331 [1,0,0,1,0,0|2,0,0]=4 394 B8R1.34 CC(=O)OC1CNC1 A41259 [1,0,0,1,0,0|2,0,0]=4 395 B8R1.34 CC(=O)OC1CNC1 A43595 [1,0,0,1,0,0|2,0,0]=4 396 B8R1.34 CC(=O)SC1CNC1 T12525 [1,0,0,1,0,0|2,0,0]=4 397 B8R1.34 O=C(O)CC1CCC1 C24745 [1,0,0,1,0,0|1,0,0]=3 398 B8R1.34 O=C(O)CC1CNC1 A10213 [1,0,0,1,0,0|2,0,0]=4 399 B8R1.34 O=C(O)CC1COC1 X6649 [1,0,0,1,0,0|2,0,0]=4 400 B8R1.72 CC1(O)CCCCC1 M43886 [1,0,0,1,0,0|0,0,2]=4 401 B10R1.13 CC(=O)N1CCC(=O)CC1 A38504 [0,1,0,1,0,0|1,0,1]=4 402 B10R1.13 CC(C)C1CCC(=O)CC1 P50501 [0,1,0,1,0,0|0,0,0]=2 403 B10R1.13 CC(C)N1CCC(=O)CC1 P47115 [0,1,0,1,0,0|1,0,0]=3 404 B10R1.13 CN(C)C1CCC(=O)CC1 D23555 [0,1,0,1,0,0|1,0,0]=3 405 B10R1.13 NC(=O)C1CCC(=O)CC1 X69547 [0,1,0,1,0,0|1,0,1]=4 406 B10R1.13 O=C1CCC(C(=O)O)CC1 X12147 [0,1,0,1,0,0|1,0,1]=4 407 B10R1.14 COC(=O)C1CCC(Br)C1 M59847 [0,1,0,1,0,0|1,0,0]=3 408 B10R1.14 COC(=O)C1CCC(N)C1 C13729 [0,1,0,1,0,0|1,0,0]=3 409 B10R1.14 COC(=O)[C@@H]1CCC(=O)C1 M14939 [0,1,0,1,0,0|1,0,1]=4 410 B10R1.14 COC(=O)[C@@H]1CC[C@@H](N)C1 M14936 [0,1,0,1,0,0|1,0,0]=3 411 B10R1.14 COC(=O)[C@@H]1CC[C@@H](O)C1 M25442 [0,1,0,1,0,0|1,0,0]=3 412 B10R1.14 COC(=O)[C@@H]1CC[C@H](N)C1 M14934 [0,1,0,1,0,0|1,0,0]=3 413 B10R1.14 COC(=O)[C@@H]1CC[C@H](O)C1 M60218 [0,1,0,1,0,0|1,0,0]=3 414 B10R1.14 COC(=O)[C@@H]1C[C@@H](S)CN1 M59855 [0,1,0,1,0,0|2,0,0]=4 415 B10R1.14 COC(=O)[C@@H]1C[C@H](F)CN1 M5733 [0,1,0,1,0,0|2,0,0]=4 416 B10R1.14 COC(=O)[C@@H]1C[C@H](O)CN1 M23511 [0,1,0,1,0,0|2,0,0]=4 417 B10R1.14 COC(=O)[C@H]1CCC(=O)C1 M14938 [0,1,0,1,0,0|1,0,1]=4 418 B10R1.14 COC(=O)[C@H]1CCC(=O)C1 O3033 [0,1,0,1,0,0|1,0,1]=4 419 B10R1.14 COC(=O)[C@H]1CC[C@@H](N)C1 M14935 [0,1,0,1,0,0|1,0,0]=3 420 B10R1.14 COC(=O)[C@H]1CC[C@@H](O)C1 M15680 [0,1,0,1,0,0|1,0,0]=3 421 B10R1.14 COC(=O)[C@H]1CC[C@H](N)C1 M14937 [0,1,0,1,0,0|1,0,0]=3 422 B10R1.14 COC(=O)[C@H]1C[C@@H](F)CN1 M19877 [0,1,0,1,0,0|2,0,0]=4 423 B10R1.14 COC(=O)[C@H]1C[C@@H](O)CN1 M10824 [0,1,0,1,0,0|2,0,0]=4 424 B10R1.14 COC(=O)[C@H]1C[C@H](O)CN1 M43460 [0,1,0,1,0,0|2,0,0]=4 425 B10R1.54 O=C1CC[C@H](C[N+](=O)[O-])C1 N43386 [0,1,0,1,0,0|2,0,0]=4 426 B10R1.150 COC(=O)CC1CC(=O)C1 M16790 [0,1,0,1,0,0|1,0,1]=4 427 B10R1.153 COC(=O)CCNC1CC1 M43848 [0,1,0,1,0,0|1,0,0]=3 428 B10R1.10 CCC[C@H]1CC(=O)CCN1 P49563 [0,1,0,1,0,0|0,0,0]=2 429 B10R1.11 CCOC(=O)[C@@H]1CCCO1 E43818 [0,1,0,1,0,0|1,0,0]=3 430 B10R1.11 CCOC(=O)[C@@H]1CSCN1 E61537 [0,1,0,1,0,0|2,0,0]=4 431 B10R1.11 CCOC(=O)[C@H]1CCCN1 E37266 [0,1,0,1,0,0|1,0,0]=3 432 B10R1.11 CCOC(=O)[C@H]1CCNC1 E25456 [0,1,0,1,0,0|1,0,0]=3 433 B10R1.11 N#CCC(=O)C1CCCC1 C10418 [0,1,0,1,0,0|0,0,1]=3 434 B10R1.11 N#CCC(=O)[C@H]1CCOC1 X12643 [0,1,0,1,0,0|1,0,1]=4 435 B10R1.25 CC[C@H]1CNC(=O)CC1=O E14290 [0,1,0,1,0,0|1,0,1]=4 436 B10R1.29 CCCCN1CCCC1=O B68886 [0,1,0,1,0,0|1,0,0]=3 437 B10R1.78 O=C1CCCCCCCN1 A62814 [0,1,0,1,0,0|0,0,0]=2 438 B10R1.85 ClCCN1CCCCCC1 C47152 [0,1,0,1,0,0|2,0,0]=4 439 B10R1.85 ClCCN1CCCCCC1 C65016 [0,1,0,1,0,0|2,0,0]=4 440 B10R1.85 OCCN1CCCCCC1 A47168 [0,1,0,1,0,0|2,0,0]=4 441 B10R1.135 CCOC(=O)C1CC1C#N M24297 [0,1,0,1,0,0|1,0,1]=4 442 B10R1.135 CCOC(=O)C1CC1C=O E43726 [0,1,0,1,0,0|1,0,1]=4 443 B10R1.135 CCOC(=O)[C@@H]1C[C@@H]1C#N E29920 [0,1,0,1,0,0|1,0,1]=4 444 B10R1.135 CCOC(=O)[C@@H]1C[C@H]1C#N E29838 [0,1,0,1,0,0|1,0,1]=4 445 B10R1.137 CCOC(=O)C=C1CCC1 E47017 [0,1,0,1,0,0|0,0,2]=4 446 B10R1.138 CCCC(=O)OC[C@H]1CO1 G39289 [0,1,0,1,0,0|2,0,0]=4 447 B10R1.245 CC1CCCC(C)C1CO D60472 [0,1,0,1,0,0|1,0,1]=4 448 B10R1.15 CC[C@H](N)C1CCCCC1 C52215 [0,1,0,1,0,0|1,0,1]=4 449 B10R1.15 CC[C@H](O)C1CCNCC1 P62545 [0,1,0,1,0,0|0,0,2]=4 450 B10R1.15 CNC(=O)[C@@H]1CCCNC1 N16649 [0,1,0,1,0,0|1,0,0]=3 451 B10R1.15 CNC(=O)[C@H]1CCCNC1 M16650 [0,1,0,1,0,0|1,0,0]=3 452 B10R1.15 CNC(=O)[C@H]1CCCNC1 M63083 [0,1,0,1,0,0|1,0,0]=3 453 B10R1.15 COC(=O)C1=CCCCC1 M47018 [0,1,0,1,0,0|1,0,1]=4 454 B10R1.15 COC(=O)C1CCNCC1 M25177 [0,1,0,1,0,0|1,0,0]=3 455 B10R1.15 COC(=O)C1CCNCC1 M39294 [0,1,0,1,0,0|1,0,0]=3 456 B10R1.15 COC(=O)C1CCOCC1 M10320 [0,1,0,1,0,0|1,0,0]=3 457 B10R1.15 COC(=O)C1CCSCC1 M13092 [0,1,0,1,0,0|1,0,0]=3 458 B10R1.15 COC(=O)N1CCNCC1 M62366 [0,1,0,1,0,0|2,0,0]=4 459 B10R1.15 COC(=O)[C@@H]1CCCCN1 M28387 [0,1,0,1,0,0|1,0,0]=3 460 B10R1.15 COC(=O)[C@@H]1CCCCN1 M39293 [0,1,0,1,0,0|1,0,0]=3 461 B10R1.15 COC(=O)[C@@H]1CCCCN1 M39425 [0,1,0,1,0,0|1,0,0]=3 462 B10R1.15 COC(=O)[C@@H]1CCCCO1 M43819 [0,1,0,1,0,0|1,0,0]=3 463 B10R1.15 COC(=O)[C@@H]1CCCNC1 M18060 [0,1,0,1,0,0|1,0,0]=3 464 B10R1.15 COC(=O)[C@@H]1CCCNC1 M21650 [0,1,0,1,0,0|1,0,0]=3 465 B10R1.15 COC(=O)[C@@H]1CNCCN1 M43559 [0,1,0,1,0,0|2,0,0]=4 466 B10R1.15 COC(=O)[C@@H]1CNCCO1 M43453 [0,1,0,1,0,0|2,0,0]=4 467 B10R1.15 COC(=O)[C@@H]1CNCCO1 M43456 [0,1,0,1,0,0|2,0,0]=4 468 B10R1.15 COC(=O)[C@@H]1COCCN1 M13411 [0,1,0,1,0,0|2,0,0]=4 469 B10R1.15 COC(=O)[C@@H]1COCCN1 M18297 [0,1,0,1,0,0|2,0,0]=4 470 B10R1.15 COC(=O)[C@@H]1COCCN1 M19898 [0,1,0,1,0,0|2,0,0]=4 471 B10R1.15 COC(=O)[C@@H]1COCCN1 M41516 [0,1,0,1,0,0|2,0,0]=4 472 B10R1.15 COC(=O)[C@H]1CCCNC1 M21649 [0,1,0,1,0,0|1,0,0]=3 473 B10R1.15 COC(=O)[C@H]1CCCNC1 M26313 [0,1,0,1,0,0|1,0,0]=3 474 B10R1.15 COC(=O)[C@H]1CCCOC1 M5495 [0,1,0,1,0,0|1,0,0]=3 475 B10R1.15 COC(=O)[C@H]1CNCCN1 P15343 [0,1,0,1,0,0|2,0,0]=4 476 B10R1.15 COC(=O)[C@H]1CNCCO1 M37050 [0,1,0,1,0,0|2,0,0]=4 477 B10R1.15 COC(=O)[C@H]1CNCCO1 M43455 [0,1,0,1,0,0|2,0,0]=4 478 B10R1.15 COC(=O)[C@H]1COCCN1 M13412 [0,1,0,1,0,0|2,0,0]=4 479 B10R1.15 CSC(=S)N1CCCCC1 M43860 [0,1,0,1,0,0|1,1,0]=4 480 B10R1.15 NCC(=O)C1CCCCC1 A11156 [0,1,0,1,0,0|1,0,0]=3 481 B10R1.15 NCC(=O)N1CCCCC1 A46500 [0,1,0,1,0,0|1,0,0]=3 482 B10R1.15 NNC(=O)C1CCOCC1 T15051 [0,1,0,1,0,0|2,0,0]=4 483 B10R1.15 NNC(=O)[C@H]1CCCOC1 T15052 [0,1,0,1,0,0|2,0,0]=4 484 B10R1.15 O=C(CBr)C1CCOCC1 B13722 [0,1,0,1,0,0|1,0,0]=3 485 B10R1.15 O=C(CBr)N1CCOCC1 B41454 [0,1,0,1,0,0|2,0,0]=4 486 B10R1.15 O=C(CCl)N1CCOCC1 C41455 [0,1,0,1,0,0|2,0,0]=4 487 B10R1.15 O=C(CO)N1CCOCC1 H41514 [0,1,0,1,0,0|2,0,0]=4 488 B10R1.169 COC(=O)C1CC(CN)C1 M20788 [0,1,0,1,0,0|2,0,0]=4 489 B10R1.182 COC(=O)C(N)C1COC1 M6273 [0,1,0,1,0,0|2,0,0]=4 490 B10R1.411 COC(=O)C1(N)CCCC1 M24481 [0,1,0,1,0,0|1,0,0]=3 491 B10R1.411 COC(=O)C1(O)CCCC1 M29915 [0,1,0,1,0,0|1,0,0]=3 492 B10R1.411 COC(=O)[C@@]1(C)CCCN1 M15317 [0,1,0,1,0,0|2,0,0]=4 493 B10R1.411 COC(=O)[C@@]1(C)CCNC1 M16615 [0,1,0,1,0,0|2,0,0]=4 494 B10R1.411 COC(=O)[C@@]1(C)CCOC1 M13225 [0,1,0,1,0,0|2,0,0]=4 495 B10R1.411 COC(=O)[C@]1(C)CCCN1 M11864 [0,1,0,1,0,0|2,0,0]=4 496 B10R1.411 COC(=O)[C@]1(C)CCCO1 M11684 [0,1,0,1,0,0|2,0,0]=4 497 B10R1.411 COC(=O)[C@]1(N)CCOC1 A13191 [0,1,0,1,0,0|2,0,0]=4 498 B10R1.26 NCC1CCS(=O)(=O)CC1 D0667 [0,1,0,1,0,0|2,0,0]=4 499 B10R1.26 NCC1CCS(=O)(=O)CC1 D7756 [0,1,0,1,0,0|2,0,0]=4 500 B10R1.3 O=CN1CCC(CO)CC1 H43851 [0,1,0,1,0,0|2,0,0]=4 501 B10R1.473 CC1(C#N)CCC(=O)CC1 M17645 [0,1,0,1,0,0|1,0,1]=4 502 B10R1.473 CC[N+]1(C)CCC(=O)CC1 E46624 [0,1,0,1,0,0|1,0,0]=3 503 B10R1.27 COC(=O)C[C@@H]1CCCN1 M46490 [0,1,0,1,0,0|1,0,0]=3 504 B10R1.27 COC(=O)C[C@H]1CCCN1 M46489 [0,1,0,1,0,0|1,0,0]=3 505 B10R1.27 O=C(CCl)NC1CCCC1 C64668 [0,1,0,1,0,0|1,0,0]=3 506 B10R1.134 COC(=O)CC(=O)C1CC1 C12469 [0,1,0,1,0,0|1,0,1]=4 507 B10R1.149 COC(=O)[C@@H]1CCCC1=O M11030 [0,1,0,1,0,0|1,0,1]=4 508 B10R1.149 COC(=O)[C@@H]1CCCN1C M43852 [0,1,0,1,0,0|1,0,0]=3 509 B10R1.149 COC(=O)[C@@H]1NCC[C@@H]1O M27104 [0,1,0,1,0,0|2,0,0]=4 510 B10R1.149 COC(=O)[C@@H]1NCC[C@H]1O M30155 [0,1,0,1,0,0|2,0,0]=4 511 B10R1.149 COC(=O)[C@H]1CNC[C@@H]1C M32340 [0,1,0,1,0,0|1,0,0]=3 512 B10R1.149 COC(=O)[C@H]1CNC[C@@H]1C M37125 [0,1,0,1,0,0|1,0,0]=3 513 B10R1.149 COC(=O)[C@H]1COC[C@H]1N M19435 [0,1,0,1,0,0|2,0,0]=4 514 B10R1.149 COC(=O)[C@H]1NCC[C@@H]1O M15055 [0,1,0,1,0,0|2,0,0]=4 515 B10R1.149 COC(=O)[C@H]1NCC[C@H]1O M13329 [0,1,0,1,0,0|2,0,0]=4 516 B10R1.149 COC(=O)[C@H]1NCC[C@H]1O M15059 [0,1,0,1,0,0|2,0,0]=4 517 B10R1.1 CCCC1CCC(=O)CC1 P50500 [0,1,0,1,0,0|0,0,0]=2 518 B10R1.1 CCCN1CCC(N)CC1 P49682 [0,1,0,1,0,0|1,0,1]=4 519 B10R1.1 CCNC1CCN(C)CC1 E11172 [0,1,0,1,0,0|2,0,0]=4 520 B10R1.1 CN1CCC(CCN)CC1 M12447 [0,1,0,1,0,0|2,0,0]=4 521 B10R1.1 CN1CCC(CCO)CC1 M0301 [0,1,0,1,0,0|2,0,0]=4 522 B10R1.1 NC1CCC(CCO)CC1 A47170 [0,1,0,1,0,0|1,0,1]=4 523 B10R1.1 N[C@H]1CC[C@H](CCO)CC1 A0878 [0,1,0,1,0,0|1,0,1]=4 524 B10R1.2 CN1C(=O)CCC[C@@H]1CN A27162 [0,1,0,1,0,0|1,0,0]=3 525 B10R1.23 CN(C)C(=O)[C@@H]1CCCN1 D14239 [0,1,0,1,0,0|2,0,0]=4 526 B10R1.23 CN(C)C(=O)[C@H]1CCCN1 D14238 [0,1,0,1,0,0|2,0,0]=4 527 B10R1.114 CC1(C)C(=O)CCCC1=O D24284 [0,1,0,1,0,0|1,0,1]=4 528 B10R1.262 CCO[C@H]1CC(=O)C1(C)C E6179 [0,1,0,1,0,0|1,0,0]=3 529 B10R2.178 O=C1CCC2CCC1N2 A14807 [0,0,0,2,0,0|1,0,0]=3 530 B10R2.178 O=C1CCC2CCC1N2 A60094 [0,0,0,2,0,0|1,0,0]=3 531 B10R2.178 O=C1NCC2CCC1C2 A43770 [0,0,0,2,0,0|1,0,0]=3 532 B10R2.178 O=C1NCC2CCC1N2 D13376 [0,0,0,2,0,0|2,0,0]=4 533 B10R2.178 O=C1NCC2CCC1O2 X6210 [0,0,0,2,0,0|2,0,0]=4 534 B10R2.335 O=C1COC2(CC2)CN1 X18040 [0,0,0,2,0,0|2,0,0]=4 535 B10R2.335 OC1CCC2(CC1)CC2 S22469 [0,0,0,2,0,0|0,0,2]=4 536 B10R2.582 NC12CCC(CC1)CC2 B60454 [0,0,0,2,0,0|1,0,1]=4 537 B10R2.408 C1CC2CCCC(C1)N2 A8032 [0,0,0,2,0,0|1,0,1]=4 538 B10R2.2 NN1CC2CCCC2C1 H46497 [0,0,0,2,0,0|2,0,0]=4 539 B10R2.2 O=C1CC2CNCC2C1 O18313 [0,0,0,2,0,0|1,0,0]=3 540 B10R2.2 O=C1CC2CSCC2C1 H20144 [0,0,0,2,0,0|1,0,0]=3 541 B10R2.2 O=C1C[C@@H]2COC[C@@H]2C1 H59788 [0,0,0,2,0,0|1,0,0]=3 542 B10R2.2 O=C1C[C@H]2COC[C@@H]2C1 H59783 [0,0,0,2,0,0|1,0,0]=3 543 B10R2.14 O=C1C[C@H](C2CC2)CN1 C9768 [0,0,0,2,0,0|1,0,0]=3 544 B10R2.32 O=C1CCC2CNCC12 H15275 [0,0,0,2,0,0|1,0,0]=3 545 B10R2.32 O=C1NC[C@@H]2CCN[C@H]12 H11258 [0,0,0,2,0,0|2,0,0]=4 546 B10R2.32 O=C1NC[C@H]2CNC[C@@H]12 X59902 [0,0,0,2,0,0|2,0,0]=4 547 B10R2.332 O=C1CC2(CN1)COC2 X6695 [0,0,0,2,0,0|2,0,0]=4 548 B10R2.332 O=C1CC2(CNC2)CN1 D46636 [0,0,0,2,0,0|2,0,0]=4 549 B10R2.332 O=C1CCC2(CNC2)N1 D27135 [0,0,0,2,0,0|2,0,0]=4 550 B10R2.332 O=C1NCC2(CCC2)O1 X10720 [0,0,0,2,0,0|2,0,0]=4 551 B10R2.484 C1CCC2(CC1)CCN2 A14690 [0,0,0,2,0,0|1,0,1]=4