0 B6R0.4 C#CCCC(=O)O P68088 [0,0,0,0,0,0|2,0,2]=4 1 B6R0.4 C#CCNC(N)=O P40179 [0,0,0,0,0,0|2,0,2]=4 2 B6R0.4 C=CCCC(=O)O P37823 [0,0,0,0,0,0|2,0,2]=4 3 B6R0.4 C=CCCC(N)=O P5022 [0,0,0,0,0,0|2,0,2]=4 4 B6R0.4 CC(=O)CCCCl C68599 [0,0,0,0,0,0|2,0,0]=2 5 B6R0.4 CC(=O)NCCN A68626 [0,0,0,0,0,0|2,0,0]=2 6 B6R0.4 CC(=O)NCCO H68625 [0,0,0,0,0,0|2,0,0]=2 7 B6R0.4 CC(=O)OCCBr B67892 [0,0,0,0,0,0|1,0,0]=1 8 B6R0.4 CC(C)=CCCBr B0351 [0,0,0,0,0,0|3,0,0]=3 9 B6R0.4 CC(C)=CCC[Mg+] M31885 [0,0,0,0,0,0|3,0,0]=3 10 B6R0.4 CC(C)CCCO M67872 [0,0,0,0,0,0|3,0,1]=4 11 B6R0.4 CC(C)NCCCl C40431 [0,0,0,0,0,0|3,0,1]=4 12 B6R0.4 CC(C)OCCBr B69154 [0,0,0,0,0,0|2,0,1]=3 13 B6R0.4 CCCCC(=N)N P41343 [0,0,0,0,0,0|3,0,0]=3 14 B6R0.4 CCCCC(=O)[O-] S38573 [0,0,0,0,0,0|2,0,0]=2 15 B6R0.4 CCCOC(N)=O P40264 [0,0,0,0,0,0|1,0,0]=1 16 B6R0.4 CN(C)CCCBr B40430 [0,0,0,0,0,0|4,0,0]=4 17 B6R0.4 CN(C)CCCCl C69241 [0,0,0,0,0,0|4,0,0]=4 18 B6R0.4 CNCCC(=O)O M40350 [0,0,0,0,0,0|3,0,0]=3 19 B6R0.4 CNCCN(C)C T41392 [0,0,0,0,0,0|4,0,0]=4 20 B6R0.4 COC=CC(C)=O M41222 [0,0,0,0,0,0|2,0,1]=3 21 B6R0.4 COCCC(=O)O M40255 [0,0,0,0,0,0|3,0,0]=3 22 B6R0.4 N#CCCC(=O)O C69146 [0,0,0,0,0,0|3,0,1]=4 23 B6R0.4 NCCCC(N)=O A40304 [0,0,0,0,0,0|3,0,0]=3 24 B6R0.4 O=C(O)CCCBr B39154 [0,0,0,0,0,0|3,0,0]=3 25 B6R0.4 O=C(O)CCCCl C40232 [0,0,0,0,0,0|3,0,0]=3 26 B6R0.4 O=C(O)\C=C\CBr B37272 [0,0,0,0,0,0|3,0,1]=4 27 B5R0.1 C#CCC(=O)O B38084 [1,0,0,0,0,0|1,0,2]=4 28 B5R0.1 C=C(C)CON M40345 [1,0,0,0,0,0|3,0,0]=4 29 B5R0.1 C=C(C)OCC E5573 [1,0,0,0,0,0|1,0,0]=2 30 B5R0.1 CC#CC(=O)O B67945 [1,0,0,0,0,0|1,0,2]=4 31 B5R0.1 CC(=O)CC#N X40158 [1,0,0,0,0,0|1,0,1]=3 32 B5R0.1 CC(=O)CCCl C69539 [1,0,0,0,0,0|1,0,0]=2 33 B5R0.1 CCCB(O)O P5056 [1,0,0,0,0,0|2,0,1]=4 34 B5R0.1 CCC[C@@H](C)N P16023 [1,0,0,0,0,0|1,0,1]=3 35 B5R0.1 CCC[C@H](C)N P22363 [1,0,0,0,0,0|1,0,1]=3 36 B5R0.1 CCOC(=N)N E36845 [1,0,0,0,0,0|2,0,0]=3 37 B5R0.1 CCOC(=S)[S-] P69346 [1,0,0,0,0,0|1,1,0]=3 38 B5R0.1 CCOC(C)=N E68065 [1,0,0,0,0,0|1,0,0]=2 39 B5R0.1 CN(C)CCBr B39953 [1,0,0,0,0,0|3,0,0]=4 40 B5R0.1 CNCC(=O)O M68590 [1,0,0,0,0,0|2,0,0]=3 41 B5R0.1 CNCC(N)=O M68358 [1,0,0,0,0,0|2,0,0]=3 42 B5R0.1 COCC(=N)N M39928 [1,0,0,0,0,0|3,0,0]=4 43 B5R0.1 COCC(=O)O M69331 [1,0,0,0,0,0|2,0,0]=3 44 B5R0.1 COC[C@@H](C)N M40311 [1,0,0,0,0,0|2,0,1]=4 45 B5R0.1 COC[C@@H](C)O M39959 [1,0,0,0,0,0|1,0,2]=4 46 B5R0.1 COC[C@H](C)O M61064 [1,0,0,0,0,0|1,0,2]=4 47 B5R0.1 C[C@@H](N)CCO A10772 [1,0,0,0,0,0|2,0,1]=4 48 B5R0.1 C[C@H](N)CCO A10771 [1,0,0,0,0,0|2,0,1]=4 49 B5R0.1 C[C@H](N)CCO A39964 [1,0,0,0,0,0|2,0,1]=4 50 B5R0.1 C[C@H](O)CCO B68917 [1,0,0,0,0,0|1,0,2]=4 51 B5R0.1 N#CCC(N)=O C60562 [1,0,0,0,0,0|2,0,1]=4 52 B5R0.1 NCCC(N)=O A67869 [1,0,0,0,0,0|2,0,0]=3 53 B5R0.1 NCC[P@H](=O)O A39788 [1,0,0,0,0,0|3,0,0]=4 54 B5R0.1 NOCC(=O)O C40302 [1,0,0,0,0,0|3,0,0]=4 55 B5R0.1 O=[N+]([O-])CCO N39779 [1,0,0,0,0,0|3,0,0]=4 56 B5R0.2 C=CCCCBr B41237 [1,0,0,0,0,0|2,0,1]=4 57 B5R0.2 C=CCCCCl C41238 [1,0,0,0,0,0|2,0,1]=4 58 B5R0.2 C=CCCCO P36921 [1,0,0,0,0,0|2,0,1]=4 59 B5R0.2 CCCCON B40310 [1,0,0,0,0,0|3,0,0]=4 60 B5R0.2 CCO\C=C/Br B2725 [1,0,0,0,0,0|3,0,0]=4 61 B5R0.2 CNCCCCl C39954 [1,0,0,0,0,0|3,0,0]=4 62 B5R0.2 CNCCCO M36844 [1,0,0,0,0,0|3,0,0]=4 63 B5R0.2 CNCCOC M23409 [1,0,0,0,0,0|3,0,0]=4 64 B5R0.2 COCCCBr B68335 [1,0,0,0,0,0|3,0,0]=4 65 B5R0.2 COCCCO M69411 [1,0,0,0,0,0|3,0,0]=4 66 B7R0.2 CCC(=O)CC(C)=O H69646 [0,1,0,0,0,0|1,0,1]=3 67 B7R0.2 CCC(=O)OC(C)=O A41227 [0,1,0,0,0,0|0,0,1]=2 68 B7R0.2 CC[C@H](C)CC(=O)O M41552 [0,1,0,0,0,0|2,0,0]=3 69 B7R0.2 CC[C@H](N)CC(=O)O A69512 [0,1,0,0,0,0|2,0,0]=3 70 B7R0.2 NC[C@@H](O)CC(=O)O A32052 [0,1,0,0,0,0|3,0,0]=4 71 B7R0.2 NC[C@H](O)CC(=O)O A67723 [0,1,0,0,0,0|3,0,0]=4 72 B7R0.2 N[C@@H](CO)CC(=O)O A38154 [0,1,0,0,0,0|3,0,0]=4 73 B7R0.3 C#CCNC(=O)CBr B2431 [0,1,0,0,0,0|1,0,2]=4 74 B7R0.3 C=CC(=O)NCCN A41315 [0,1,0,0,0,0|2,0,1]=4 75 B7R0.3 C=CCOC(=O)CI P7846 [0,1,0,0,0,0|0,0,2]=3 76 B7R0.3 CCCCC(=O)NN P40425 [0,1,0,0,0,0|2,0,0]=3 77 B7R0.3 CCCC[C@@H](N)CO A43512 [0,1,0,0,0,0|2,0,1]=4 78 B7R0.3 CCCC[C@@H]([Mg+])CC E31708 [0,1,0,0,0,0|2,0,1]=4 79 B7R0.3 CCCOC(=O)OC M40388 [0,1,0,0,0,0|0,0,0]=1 80 B7R0.3 CNCCC(=O)OC M40412 [0,1,0,0,0,0|2,0,0]=3 81 B7R0.3 COC(=N)CCCCl M40379 [0,1,0,0,0,0|3,0,0]=4 82 B7R0.3 COC(=O)C=CCBr M37461 [0,1,0,0,0,0|2,0,1]=4 83 B7R0.3 COC(=O)CCCBr M39189 [0,1,0,0,0,0|2,0,0]=3 84 B7R0.3 COC(=O)CCCCl M60517 [0,1,0,0,0,0|2,0,0]=3 85 B7R0.3 COC(=O)CCCN M32376 [0,1,0,0,0,0|2,0,0]=3 86 B7R0.3 COC(=O)\C=C\CBr M41176 [0,1,0,0,0,0|2,0,1]=4 87 B7R0.3 COC=CC(=O)OC M39186 [0,1,0,0,0,0|2,0,1]=4 88 B7R0.3 CO\C=C\C(=O)OC M41228 [0,1,0,0,0,0|2,0,1]=4 89 B7R0.4 C#CCCCC(=O)O H43301 [0,1,0,0,0,0|2,0,1]=4 90 B7R0.4 CC(=O)CCCCBr B41532 [0,1,0,0,0,0|1,0,0]=2 91 B7R0.4 CC(=O)OCCCBr B41266 [0,1,0,0,0,0|0,0,0]=1 92 B7R0.4 CC(=O)OCCCCl C39190 [0,1,0,0,0,0|0,0,0]=1 93 B7R0.4 CC(C)CCCCBr B43898 [0,1,0,0,0,0|2,0,1]=4 94 B7R0.4 CCCCC[C@H](C)O H43947 [0,1,0,0,0,0|1,0,2]=4 95 B7R0.4 CCCCOC(N)=O B39165 [0,1,0,0,0,0|1,0,0]=2 96 B7R0.4 CCCOCC(=O)O P40387 [0,1,0,0,0,0|1,0,0]=2 97 B7R0.4 CCC\C=C\C(=O)O H41460 [0,1,0,0,0,0|2,0,0]=3 98 B7R0.4 CCOC=CC(=O)O E41226 [0,1,0,0,0,0|2,0,1]=4 99 B7R0.4 CN(C)CCCCO D41621 [0,1,0,0,0,0|3,0,0]=4 100 B7R0.4 CNCCCC(=O)O M63276 [0,1,0,0,0,0|2,0,0]=3 101 B7R0.4 COCCCC(=O)O M67387 [0,1,0,0,0,0|2,0,0]=3 102 B7R0.4 COCCNC(=N)N M37240 [0,1,0,0,0,0|3,0,0]=4 103 B7R0.4 COCCNC(N)=O M36648 [0,1,0,0,0,0|2,0,0]=3 104 B7R0.4 COC\C=C\C(=O)O M63576 [0,1,0,0,0,0|2,0,1]=4 105 B7R0.4 N#CCCCC(=O)O C41166 [0,1,0,0,0,0|2,0,1]=4 106 B7R0.4 NC(=O)COCCCl C40247 [0,1,0,0,0,0|2,0,0]=3 107 B7R0.4 O=C(O)CCCCBr B39187 [0,1,0,0,0,0|2,0,0]=3 108 B7R0.4 O=C(O)CCCCCl C39191 [0,1,0,0,0,0|2,0,0]=3 109 B7R0.4 O=C(O)CCCCO H37199 [0,1,0,0,0,0|2,0,0]=3 110 B7R0.4 O=C(O)CNCCO H40270 [0,1,0,0,0,0|3,0,0]=4 111 B7R0.4 O=C(O)COCCCl C40236 [0,1,0,0,0,0|2,0,0]=3 112 B7R0.4 O=C([O-])CCCCO S41306 [0,1,0,0,0,0|2,0,0]=3 113 B7R0.5 CCC=C(C)C(=O)O M39198 [0,1,0,0,0,0|2,0,1]=4 114 B7R0.5 CCC[C@@H](N)C(=O)O N40406 [0,1,0,0,0,0|2,0,0]=3 115 B7R0.5 CCC[C@H](O)C(=O)O H40390 [0,1,0,0,0,0|2,0,0]=3 116 B7R0.5 CCOC(=O)C(=O)O E36772 [0,1,0,0,0,0|3,0,0]=4 117 B7R0.5 CCOC(=O)C(C)=O E60800 [0,1,0,0,0,0|2,0,0]=3 118 B7R0.5 CCOC(=O)C(N)=O E60589 [0,1,0,0,0,0|3,0,0]=4 119 B7R0.5 CC\C=C(/C)C(=O)O M41462 [0,1,0,0,0,0|2,0,1]=4 120 B7R0.5 COC[C@@H](N)C(=O)O A40353 [0,1,0,0,0,0|3,0,0]=4 121 B7R0.5 COC[C@@H](N)C(=O)O A61058 [0,1,0,0,0,0|3,0,0]=4 122 B7R0.5 COC[C@H](Br)C(=O)O B40233 [0,1,0,0,0,0|3,0,0]=4 123 B7R0.5 COC[C@H](N)C(=O)O A40354 [0,1,0,0,0,0|3,0,0]=4 124 B7R0.5 COC[C@H](N)C(=O)O A67760 [0,1,0,0,0,0|3,0,0]=4 125 B7R0.5 NCC[C@@H](N)C(=O)O D40355 [0,1,0,0,0,0|3,0,0]=4 126 B7R0.5 NCC[C@H](F)C(=O)O A63044 [0,1,0,0,0,0|3,0,0]=4 127 B7R0.5 NCC[C@H](N)C(=O)O D37858 [0,1,0,0,0,0|3,0,0]=4 128 B7R0.5 NCC[C@H](N)C(=O)O D68313 [0,1,0,0,0,0|3,0,0]=4 129 B7R0.5 NCC[C@H](O)C(=O)O A39157 [0,1,0,0,0,0|3,0,0]=4 130 B7R0.5 N[C@@H](CCBr)C(=O)O A37762 [0,1,0,0,0,0|3,0,0]=4 131 B7R0.5 N[C@@H](CCO)C(=O)O A68603 [0,1,0,0,0,0|3,0,0]=4 132 B7R0.5 N[C@@H](CCS)C(=O)O H68345 [0,1,0,0,0,0|3,0,0]=4 133 B7R0.5 N[C@H](CCO)C(=O)O A68363 [0,1,0,0,0,0|3,0,0]=4 134 B7R0.5 N[C@H](CCS)C(=O)O A66150 [0,1,0,0,0,0|3,0,0]=4 135 B7R0.6 C=C(Cl)CSC(C)=O C6230 [0,1,0,0,0,0|0,1,2]=4 136 B7R0.6 CC(=O)CCC(C)=O H64912 [0,1,0,0,0,0|1,0,1]=3 137 B7R0.6 CC(=O)CNC(C)=O X41261 [0,1,0,0,0,0|1,0,1]=3 138 B7R0.6 CC(=O)NN=C(C)C A66607 [0,1,0,0,0,0|2,0,1]=4 139 B7R0.6 CC(=O)NNC(C)C P40426 [0,1,0,0,0,0|2,0,0]=3 140 B7R0.6 CC(=O)\C=C\N(C)C D68911 [0,1,0,0,0,0|2,0,1]=4 141 B7R0.6 CN(C)CCC(=O)O D41335 [0,1,0,0,0,0|3,0,0]=4 142 B7R0.6 C[C@H](O)CC[C@H](C)O H68605 [0,1,0,0,0,0|1,0,2]=4 143 B7R0.6 O=C(O)CCC(F)F D59737 [0,1,0,0,0,0|3,0,0]=4 144 B7R0.8 CCCNS(N)(=O)=O P36709 [0,1,0,0,0,0|3,0,0]=4 145 B7R0.8 CCCNS([NH-])(=O)=O P39802 [0,1,0,0,0,0|3,0,0]=4 146 B7R0.8 CCCNS([NH-])(=O)=O P39890 [0,1,0,0,0,0|3,0,0]=4 147 B7R0.8 CS(=O)(=O)CCCO M6981 [0,1,0,0,0,0|3,0,0]=4 148 B7R0.8 CS(=O)(=O)NCCN A62326 [0,1,0,0,0,0|3,0,0]=4 149 B7R0.8 NCCOS(=O)(=O)O A61952 [0,1,0,0,0,0|3,0,0]=4 150 B7R1.2 CC1=CC(=O)CC1 M22783 [0,0,0,1,0,0|1,0,2]=4 151 B7R1.2 CC1=CC(=O)CO1 M41117 [0,0,0,1,0,0|2,0,1]=4 152 B7R1.2 CC1=CC(C)=NO1 D39182 [0,0,0,1,0,0|2,0,1]=4 153 B7R1.2 CC1=NNC(=O)C1 M68628 [0,0,0,1,0,0|2,0,1]=4 154 B7R1.2 CN1CCC(=O)C1 M5444 [0,0,0,1,0,0|2,0,0]=3 155 B7R1.2 C[C@@H]1CC[C@@H](C)N1 D60301 [0,0,0,1,0,0|2,0,1]=4 156 B7R1.2 C[C@@H]1CNC(=O)C1 P22910 [0,0,0,1,0,0|1,0,0]=2 157 B7R1.2 C[C@@H]1COC(=O)N1 M32194 [0,0,0,1,0,0|1,0,0]=2 158 B7R1.2 C[C@H]1CCC(=O)N1 M61805 [0,0,0,1,0,0|2,0,0]=3 159 B7R1.2 C[C@H]1COC(=O)N1 M40226 [0,0,0,1,0,0|1,0,0]=2 160 B7R1.2 N[C@@H]1CNC(=O)C1 A11620 [0,0,0,1,0,0|2,0,0]=3 161 B7R1.2 N[C@@H]1CNC(=O)C1 A20556 [0,0,0,1,0,0|2,0,0]=3 162 B7R1.2 N[C@@H]1CNC(=O)C1 A24834 [0,0,0,1,0,0|2,0,0]=3 163 B7R1.2 N[C@@H]1CNC(=O)C1 P21713 [0,0,0,1,0,0|2,0,0]=3 164 B7R1.2 N[C@@H]1COC(=O)C1 A40337 [0,0,0,1,0,0|1,0,0]=2 165 B7R1.2 N[C@H]1CNC(=O)C1 A27147 [0,0,0,1,0,0|2,0,0]=3 166 B7R1.2 N[C@H]1COC(=O)C1 A37707 [0,0,0,1,0,0|1,0,0]=2 167 B7R1.2 O=C1C=C(Br)CO1 B3416 [0,0,0,1,0,0|1,0,2]=4 168 B7R1.2 O=C1CC(O)=CO1 H1405 [0,0,0,1,0,0|1,0,2]=4 169 B7R1.2 O=C1CCC(=O)C1 C13761 [0,0,0,1,0,0|2,0,1]=4 170 B7R1.2 O=C1CC[C@H](O)C1 H22750 [0,0,0,1,0,0|2,0,0]=3 171 B7R1.2 O=C1C[C@@H](O)CN1 H22487 [0,0,0,1,0,0|2,0,0]=3 172 B7R1.2 O=C1C[C@@H](S)CN1 M12154 [0,0,0,1,0,0|2,0,0]=3 173 B7R1.2 O=C1C[C@H](O)CN1 H15629 [0,0,0,1,0,0|2,0,0]=3 174 B7R1.2 O=C1C[C@H](O)CN1 H38056 [0,0,0,1,0,0|2,0,0]=3 175 B7R1.2 O=C1OC[C@H](F)O1 F39135 [0,0,0,1,0,0|2,0,0]=3 176 B7R1.3 BrC1CCCCC1 B69054 [0,0,0,1,0,0|2,0,1]=4 177 B7R1.3 C=C1CCNCC1 M19855 [0,0,0,1,0,0|3,0,0]=4 178 B7R1.3 C=C1CCOCC1 M23324 [0,0,0,1,0,0|3,0,0]=4 179 B7R1.3 CC1=CCCNC1 M12102 [0,0,0,1,0,0|3,0,0]=4 180 B7R1.3 CC1=CCNCC1 M26826 [0,0,0,1,0,0|3,0,0]=4 181 B7R1.3 CC1SCCCS1 M63108 [0,0,0,1,0,0|0,2,1]=4 182 B7R1.3 C[C@@H]1CNCCO1 M15403 [0,0,0,1,0,0|2,0,1]=4 183 B7R1.3 C[C@@H]1CNCCO1 M28760 [0,0,0,1,0,0|2,0,1]=4 184 B7R1.3 C[C@H]1CCCCN1 M43475 [0,0,0,1,0,0|2,0,1]=4 185 B7R1.3 C[C@H]1CNCCO1 M15401 [0,0,0,1,0,0|2,0,1]=4 186 B7R1.3 C[C@H]1CNCCO1 M15402 [0,0,0,1,0,0|2,0,1]=4 187 B7R1.3 C[C@H]1CNCCO1 M29509 [0,0,0,1,0,0|2,0,1]=4 188 B7R1.3 C[C@H]1CNCCO1 M41323 [0,0,0,1,0,0|2,0,1]=4 189 B7R1.3 NC1=NCCCN1 A40341 [0,0,0,1,0,0|3,0,0]=4 190 B7R1.3 NC1CCCCC1 C39283 [0,0,0,1,0,0|2,0,1]=4 191 B7R1.3 O=C1C=CCCN1 D67780 [0,0,0,1,0,0|1,0,2]=4 192 B7R1.3 O=C1C=CCOC1 P26982 [0,0,0,1,0,0|2,0,1]=4 193 B7R1.3 O=C1CCCCN1 P69632 [0,0,0,1,0,0|1,0,0]=2 194 B7R1.3 O=C1CCCNC1 P1523 [0,0,0,1,0,0|2,0,0]=3 195 B7R1.3 O=C1CCCNC1 P31811 [0,0,0,1,0,0|2,0,0]=3 196 B7R1.3 O=C1CCCOC1 T7026 [0,0,0,1,0,0|2,0,0]=3 197 B7R1.3 O=C1CCCSC1 T1776 [0,0,0,1,0,0|2,0,0]=3 198 B7R1.3 O=C1CCNCC1 P23503 [0,0,0,1,0,0|2,0,0]=3 199 B7R1.3 O=C1CCOCC1 T4632 [0,0,0,1,0,0|2,0,0]=3 200 B7R1.3 O=C1CCSCC1 T6200 [0,0,0,1,0,0|2,0,0]=3 201 B7R1.3 O=C1CNCCN1 P10419 [0,0,0,1,0,0|2,0,0]=3 202 B7R1.3 O=C1COCCN1 M7700 [0,0,0,1,0,0|2,0,0]=3 203 B7R1.3 O=C1COCCO1 D38663 [0,0,0,1,0,0|1,0,0]=2 204 B7R1.3 O=C1CSCCN1 T40230 [0,0,0,1,0,0|2,0,0]=3 205 B7R1.3 O=S1CCNCC1 T5787 [0,0,0,1,0,0|3,0,0]=4 206 B7R1.3 O[C@@H]1CNCCO1 M40347 [0,0,0,1,0,0|1,0,2]=4 207 B7R1.3 [Mg+]C1CCCCC1 C31701 [0,0,0,1,0,0|2,0,1]=4 208 B7R1.5 CCC[C@@H]1ON1C M65450 [0,0,0,1,0,0|2,0,1]=4 209 B7R1.10 N#CC1CC(=O)C1 X10543 [0,0,0,1,0,0|2,0,1]=4 210 B7R1.10 NCC1CC(=O)C1 SB7355 [0,0,0,1,0,0|2,0,0]=3 211 B7R1.10 O=C1CC(CBr)C1 B11904 [0,0,0,1,0,0|2,0,0]=3 212 B7R1.10 O=C1CC(CO)C1 H0725 [0,0,0,1,0,0|2,0,0]=3 213 B7R1.12 C[C@@H]1C[C@@H]1C(=O)O M59914 [0,0,0,1,0,0|2,0,0]=3 214 B7R1.12 C[C@@H]1C[C@H]1C(=O)O M24588 [0,0,0,1,0,0|2,0,0]=3 215 B7R1.12 C[C@H]1C[C@H]1C(=O)O M24546 [0,0,0,1,0,0|2,0,0]=3 216 B7R1.12 C[C@H]1C[C@H]1C(=O)O M59857 [0,0,0,1,0,0|2,0,0]=3 217 B7R1.12 O=C(O)C1CC1F F20460 [0,0,0,1,0,0|3,0,0]=4 218 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F F8695 [0,0,0,1,0,0|3,0,0]=4 219 B7R1.12 O=C(O)[C@@H]1C[C@@H]1I K67056 [0,0,0,1,0,0|3,0,0]=4 220 B7R1.12 O=C(O)[C@@H]1C[C@H]1F F18516 [0,0,0,1,0,0|3,0,0]=4 221 B7R1.12 O=C(O)[C@@H]1C[C@H]1F F21701 [0,0,0,1,0,0|3,0,0]=4 222 B7R1.12 O=C(O)[C@H]1C[C@@H]1F F21702 [0,0,0,1,0,0|3,0,0]=4 223 B7R1.14 CC1(C)CCCN1 D24602 [0,0,0,1,0,0|2,0,1]=4 224 B7R1.14 CC1(O)CCCC1 M41551 [0,0,0,1,0,0|1,0,2]=4 225 B7R1.14 O=S1(=O)CCCN1 P12719 [0,0,0,1,0,0|3,0,0]=4 226 B7R1.14 O=S1(=O)CCCO1 X68360 [0,0,0,1,0,0|2,0,0]=3 227 B7R1.14 O=S1(=O)NCCO1 D11396 [0,0,0,1,0,0|3,0,0]=4 228 B7R1.14 O=S1(=O)OCCO1 D39773 [0,0,0,1,0,0|3,0,0]=4 229 B7R1.17 CC1(C)OC[C@@H]1N D59836 [0,0,0,1,0,0|2,0,1]=4 230 B7R1.18 CC(=O)C1CCC1 C22926 [0,0,0,1,0,0|1,0,0]=2 231 B7R1.18 CC(=O)C1CNC1 A18542 [0,0,0,1,0,0|2,0,0]=3 232 B7R1.18 C[C@H](N)C1CCC1 C29990 [0,0,0,1,0,0|2,0,1]=4 233 B7R1.18 N=C(N)C1CCC1 C11379 [0,0,0,1,0,0|3,0,0]=4 234 B7R1.18 NC(=O)C1CCC1 C36760 [0,0,0,1,0,0|2,0,0]=3 235 B7R1.18 NC(=O)C1CNC1 A0189 [0,0,0,1,0,0|3,0,0]=4 236 B7R1.18 NC(=O)C1CNC1 A10232 [0,0,0,1,0,0|3,0,0]=4 237 B7R1.18 O=C(O)C1CCC1 C39184 [0,0,0,1,0,0|2,0,0]=3 238 B7R1.18 O=C(O)C1CNC1 A0022 [0,0,0,1,0,0|3,0,0]=4 239 B7R1.18 O=C(O)C1CNC1 A62344 [0,0,0,1,0,0|3,0,0]=4 240 B7R1.18 O=C(O)[C@@H]1CCN1 A0692 [0,0,0,1,0,0|3,0,0]=4 241 B7R1.18 O=C(O)[C@@H]1CCN1 A0705 [0,0,0,1,0,0|3,0,0]=4 242 B7R1.18 O=C(O)[C@@H]1CCO1 X60210 [0,0,0,1,0,0|3,0,0]=4 243 B7R1.18 O=C(O)[C@@H]1CCO1 X6939 [0,0,0,1,0,0|3,0,0]=4 244 B7R1.18 O=C(O)[C@H]1CCN1 A0706 [0,0,0,1,0,0|3,0,0]=4 245 B7R1.18 O=C(O)[C@H]1CCN1 A40336 [0,0,0,1,0,0|3,0,0]=4 246 B7R1.18 O=C(O)[C@H]1CCO1 X60294 [0,0,0,1,0,0|3,0,0]=4 247 B7R1.20 O=C(O)CC1CC1 C11216 [0,0,0,1,0,0|2,0,0]=3 248 B4R0.1 CC(=O)CN A38843 [2,0,0,0,0,0|1,0,0]=3 249 B4R0.1 CC(=O)CO H60801 [2,0,0,0,0,0|1,0,0]=3 250 B4R0.1 CC(=O)NN A64932 [2,0,0,0,0,0|2,0,0]=4 251 B4R0.1 CCC(=N)N P39882 [2,0,0,0,0,0|2,0,0]=4 252 B4R0.1 CCC(=N)N P39927 [2,0,0,0,0,0|2,0,0]=4 253 B4R0.1 CCC(N)=O P68920 [2,0,0,0,0,0|1,0,0]=3 254 B4R0.1 CC[C@H](C)N B62608 [2,0,0,0,0,0|1,0,1]=4 255 B4R0.1 CC[S@](=O)[O-] S39781 [2,0,0,0,0,0|2,0,0]=4 256 B4R0.1 COC(=N)N M69240 [2,0,0,0,0,0|2,0,0]=4 257 B4R0.1 NC(=O)CBr B39771 [2,0,0,0,0,0|2,0,0]=4 258 B4R0.1 NC(=O)CI K60849 [2,0,0,0,0,0|2,0,0]=4 259 B4R0.1 NC(=O)CO H68919 [2,0,0,0,0,0|2,0,0]=4 260 B4R0.1 NCC(N)=O G69255 [2,0,0,0,0,0|2,0,0]=4 261 B4R0.2 C=CCCN B21913 [2,0,0,0,0,0|1,0,1]=4 262 B4R0.2 C=CCCO B40252 [2,0,0,0,0,0|1,0,1]=4 263 B4R0.2 CCCNN P39906 [2,0,0,0,0,0|2,0,0]=4 264 B4R0.2 CNCCBr B38473 [2,0,0,0,0,0|2,0,0]=4 265 B4R0.2 CNCCCl C39886 [2,0,0,0,0,0|2,0,0]=4 266 B4R0.2 COCCBr B39138 [2,0,0,0,0,0|1,0,0]=3 267 B4R0.2 COCCI K39881 [2,0,0,0,0,0|1,0,0]=3 268 B4R0.2 CSCCN M62136 [2,0,0,0,0,0|1,1,0]=4 269 B4R0.2 NOCCO A39786 [2,0,0,0,0,0|2,0,0]=4 270 B6R0.1 C#CCC(=O)OC M41116 [1,1,0,0,0,0|0,0,2]=4 271 B6R0.1 C=C(OCC)[Zn]Cl E4486 [1,1,0,0,0,0|1,0,1]=4 272 B6R0.1 CC#CC(=O)OC M62298 [1,1,0,0,0,0|0,0,2]=4 273 B6R0.1 CC=CC(=O)CC H41457 [1,1,0,0,0,0|0,0,2]=4 274 B6R0.1 CCC[C@@H](Cl)CC C63946 [1,1,0,0,0,0|1,0,1]=4 275 B6R0.1 CCC[C@H](N)CO A40443 [1,1,0,0,0,0|1,0,1]=4 276 B6R0.1 CCC[C@H](N)CO A66421 [1,1,0,0,0,0|1,0,1]=4 277 B6R0.1 CCOC(=O)C#N E15572 [1,1,0,0,0,0|0,0,1]=3 278 B6R0.1 CCOC(=O)CN G69291 [1,1,0,0,0,0|0,0,0]=2 279 B6R0.1 CCOC(=O)CO E37817 [1,1,0,0,0,0|0,0,0]=2 280 B6R0.1 CCOC(=O)NN E39139 [1,1,0,0,0,0|1,0,0]=3 281 B6R0.1 CCOC(=O)OC E40254 [1,1,0,0,0,0|0,0,0]=2 282 B6R0.1 CCO\C(C)=N\O E68624 [1,1,0,0,0,0|0,0,1]=3 283 B6R0.1 CNC(=O)CC#N C40181 [1,1,0,0,0,0|1,0,1]=4 284 B6R0.1 CNC(=O)CCN A40306 [1,1,0,0,0,0|1,0,0]=3 285 B6R0.1 COC(=O)CC#N M68915 [1,1,0,0,0,0|1,0,1]=4 286 B6R0.1 COC(=O)CCBr M39155 [1,1,0,0,0,0|1,0,0]=3 287 B6R0.1 COC(=O)CCN M67902 [1,1,0,0,0,0|1,0,0]=3 288 B6R0.1 COC(=O)CCO M24551 [1,1,0,0,0,0|1,0,0]=3 289 B6R0.1 COC(=O)OCCl C62332 [1,1,0,0,0,0|1,0,0]=3 290 B6R0.1 COCC(=O)NN M39884 [1,1,0,0,0,0|2,0,0]=4 291 B6R0.2 CC(=O)C=C(C)N A41256 [1,1,0,0,0,0|0,0,2]=4 292 B6R0.2 CC(=O)NC(C)C P40402 [1,1,0,0,0,0|1,0,0]=3 293 B6R0.2 CC(=O)O[C@H](C)Br B40231 [1,1,0,0,0,0|0,0,0]=2 294 B6R0.2 CC(C)C[C@H](C)N M43511 [1,1,0,0,0,0|1,0,1]=4 295 B6R0.2 CN(C)CC(=O)Cl D40251 [1,1,0,0,0,0|2,0,0]=4 296 B6R0.2 C[C@@H](N)CC(=O)O A37837 [1,1,0,0,0,0|1,0,0]=3 297 B6R0.2 C[C@@H](N)CC(=O)O A40348 [1,1,0,0,0,0|1,0,0]=3 298 B6R0.2 C[C@@H](O)CC(=O)[O-] S37350 [1,1,0,0,0,0|1,0,0]=3 299 B6R0.2 C[C@@H](O)C[C@@H](C)O P40432 [1,1,0,0,0,0|0,0,2]=4 300 B6R0.2 C[C@H](N)CC(=O)O A40265 [1,1,0,0,0,0|1,0,0]=3 301 B6R0.2 C[C@H](O)CC(=O)O H38871 [1,1,0,0,0,0|1,0,0]=3 302 B6R0.2 C[C@H](O)CC(=O)[O-] S40298 [1,1,0,0,0,0|1,0,0]=3 303 B6R0.2 C[C@H](O)C[C@H](C)O P40433 [1,1,0,0,0,0|0,0,2]=4 304 B6R0.3 CCC(=O)C(=O)[O-] S40297 [1,1,0,0,0,0|1,0,1]=4 305 B6R0.3 CCN(C)C(=O)Cl E40250 [1,1,0,0,0,0|2,0,0]=4 306 B6R0.3 CCN(C)C(C)=O E40404 [1,1,0,0,0,0|1,0,0]=3 307 B6R0.3 CC[C@@H](C)C(=O)O M40381 [1,1,0,0,0,0|1,0,0]=3 308 B6R0.3 CC[C@@H](N)C(N)=O A40305 [1,1,0,0,0,0|1,0,0]=3 309 B6R0.3 CC[C@H](N)C(=O)O A40349 [1,1,0,0,0,0|1,0,0]=3 310 B6R0.3 CC[C@H](N)C(=O)O A68376 [1,1,0,0,0,0|1,0,0]=3 311 B6R0.3 CC[C@H](N)C(N)=O A64477 [1,1,0,0,0,0|1,0,0]=3 312 B6R0.3 CC[C@H](O)C(=O)O H23105 [1,1,0,0,0,0|1,0,0]=3 313 B6R0.3 CN[C@@H](C)C(=O)O M68914 [1,1,0,0,0,0|2,0,0]=4 314 B6R0.3 CN[C@H](C)C(=O)O M63076 [1,1,0,0,0,0|2,0,0]=4 315 B6R0.3 CON(C)C(C)=O M3307 [1,1,0,0,0,0|2,0,0]=4 316 B6R0.3 CO[C@@H](C)C(=O)O M11053 [1,1,0,0,0,0|2,0,0]=4 317 B6R0.3 CO[C@@H](C)C(=O)O M69861 [1,1,0,0,0,0|2,0,0]=4 318 B6R0.3 CO[C@H](C)C(=O)O M8894 [1,1,0,0,0,0|2,0,0]=4 319 B6R0.3 C[C@H](CN)C(=O)O A40352 [1,1,0,0,0,0|2,0,0]=4 320 B6R0.3 NC(=O)[C@H](N)CO A39930 [1,1,0,0,0,0|2,0,0]=4 321 B6R0.3 NC[C@@H](O)C(=O)O A39878 [1,1,0,0,0,0|2,0,0]=4 322 B6R0.3 NC[C@H](N)C(=O)O D39929 [1,1,0,0,0,0|2,0,0]=4 323 B6R0.3 NC[C@H](O)C(=O)O S39877 [1,1,0,0,0,0|2,0,0]=4 324 B6R0.3 N[C@@H](CS)C(=O)O A39926 [1,1,0,0,0,0|2,0,0]=4 325 B6R0.3 N[C@H](CCl)C(=O)O A39869 [1,1,0,0,0,0|2,0,0]=4 326 B6R0.3 N[C@H](CCl)C(=O)O A63558 [1,1,0,0,0,0|2,0,0]=4 327 B6R0.3 N[C@H](CS)C(=O)O A37860 [1,1,0,0,0,0|2,0,0]=4 328 B6R0.3 N[C@H](CS)C(=O)O C67456 [1,1,0,0,0,0|2,0,0]=4 329 B6R0.3 N[C@H](CS)C(=O)O C69203 [1,1,0,0,0,0|2,0,0]=4 330 B6R0.3 O=C(O)[C@@H](Br)CBr D39848 [1,1,0,0,0,0|2,0,0]=4 331 B6R0.3 O=C(O)[C@@H](O)CO D38851 [1,1,0,0,0,0|2,0,0]=4 332 B6R0.5 CCCS(N)(=O)=O P39891 [1,1,0,0,0,0|2,0,0]=4 333 B6R0.5 CCC[N+](C)(C)C T43586 [1,1,0,0,0,0|2,0,0]=4 334 B6R0.5 CCOP(=O)(Cl)Cl E39780 [1,1,0,0,0,0|2,0,0]=4 335 B6R0.5 CS(=O)(=O)CCBr M62603 [1,1,0,0,0,0|2,0,0]=4 336 B6R0.5 CS(=O)(=O)CCN M37292 [1,1,0,0,0,0|2,0,0]=4 337 B6R0.6 C=CCCCCBr B9212 [1,1,0,0,0,0|1,0,1]=4 338 B6R0.6 C=CCCCCO H41549 [1,1,0,0,0,0|1,0,1]=4 339 B6R0.6 C=CCCCC[Mg+] H5025 [1,1,0,0,0,0|1,0,1]=4 340 B6R0.6 C=COCCON V65141 [1,1,0,0,0,0|1,0,1]=4 341 B6R0.6 CC=CCCCO H41548 [1,1,0,0,0,0|1,0,0]=3 342 B6R0.6 CCCCCC[Mg+] H31703 [1,1,0,0,0,0|1,0,1]=4 343 B6R0.6 CCCCCNC M41618 [1,1,0,0,0,0|1,0,1]=4 344 B6R0.6 CCC\C=C\CO H41550 [1,1,0,0,0,0|1,0,0]=3 345 B6R0.6 CCOCCC#N E41255 [1,1,0,0,0,0|0,0,2]=4 346 B6R0.6 CNCCCCBr B40429 [1,1,0,0,0,0|2,0,0]=4 347 B6R0.6 CNCCCCO M38840 [1,1,0,0,0,0|2,0,0]=4 348 B6R0.6 COCCCCBr B40422 [1,1,0,0,0,0|2,0,0]=4 349 B6R0.6 NCCOCCN X39968 [1,1,0,0,0,0|1,0,1]=4 350 B6R0.6 NCCOCCN X40357 [1,1,0,0,0,0|1,0,1]=4 351 B6R0.6 O=CCCCCCl C41277 [1,1,0,0,0,0|1,0,0]=3 352 B6R0.6 O=CCCCCO H32202 [1,1,0,0,0,0|1,0,0]=3 353 B6R0.6 OCCOCCCl C60784 [1,1,0,0,0,0|1,0,1]=4 354 B6R0.6 OCCOCCO D43939 [1,1,0,0,0,0|1,0,1]=4 355 B8R0.5 CCC[C@H](N)CC(=O)O A43488 [0,2,0,0,0,0|2,0,0]=4 356 B8R0.5 CCC\C(C)=C\C(=O)O M62391 [0,2,0,0,0,0|2,0,0]=4 357 B8R0.16 COC(CC(C)=O)OC D39203 [0,2,0,0,0,0|2,0,0]=4 358 B8R0.19 CCC(=O)CC(=O)CC H43801 [0,2,0,0,0,0|1,0,1]=4 359 B8R0.19 CCC(=O)CC(=O)OC M39036 [0,2,0,0,0,0|1,0,1]=4 360 B8R0.19 CC[C@H](N)CC(=O)OC M43495 [0,2,0,0,0,0|1,0,0]=3 361 B8R0.19 COC(=O)C[C@@H](O)CCl M41276 [0,2,0,0,0,0|2,0,0]=4 362 B8R0.23 CC(=O)C(=O)OC(C)C P65400 [0,2,0,0,0,0|2,0,0]=4 363 B8R0.23 CC(=O)O[C@@H](C)C(=O)O A64092 [0,2,0,0,0,0|1,0,1]=4 364 B8R0.23 CC(=O)O[C@H](C)C(=O)O A64091 [0,2,0,0,0,0|1,0,1]=4 365 B8R0.23 CC(C)C[C@@H](N)C(=O)O L64923 [0,2,0,0,0,0|2,0,0]=4 366 B8R0.23 CC(C)C[C@@H](O)C(=O)O H41559 [0,2,0,0,0,0|2,0,0]=4 367 B8R0.23 CC(C)C[C@H](Br)C(=O)O B41525 [0,2,0,0,0,0|2,0,0]=4 368 B8R0.23 CC(C)C[C@H](Br)C(=O)O B41526 [0,2,0,0,0,0|2,0,0]=4 369 B8R0.23 CC(C)C[C@H](O)C(=O)O H37072 [0,2,0,0,0,0|2,0,0]=4 370 B8R0.23 CC(C)[C@@H](N)CC(=O)O A67729 [0,2,0,0,0,0|2,0,0]=4 371 B8R0.23 CC(C)[C@H](N)CC(=O)O A38977 [0,2,0,0,0,0|2,0,0]=4 372 B8R0.23 CC(C)[C@H](N)CC(=O)O A43501 [0,2,0,0,0,0|2,0,0]=4 373 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O A41340 [0,2,0,0,0,0|2,0,0]=4 374 B8R0.24 CC[C@H](C)OS(C)(=O)=O M20605 [0,2,0,0,0,0|1,0,0]=3 375 B8R0.1 CCOC(=O)CCCBr B69333 [0,2,0,0,0,0|2,0,0]=4 376 B8R0.1 CCOC(=O)CCCI E31893 [0,2,0,0,0,0|2,0,0]=4 377 B8R0.1 CCOC(=O)CCCN E43487 [0,2,0,0,0,0|2,0,0]=4 378 B8R0.1 CCOC(=O)CCNC E41584 [0,2,0,0,0,0|2,0,0]=4 379 B8R0.1 CCOC(=O)CCSC E39202 [0,2,0,0,0,0|2,0,0]=4 380 B8R0.1 CCOCC(=O)OCC E41554 [0,2,0,0,0,0|2,0,0]=4 381 B8R0.3 CCC[C@@H](N)C(=O)OC M66692 [0,2,0,0,0,0|1,0,0]=3 382 B8R0.3 CCC[C@H](N)C(=O)OC M43489 [0,2,0,0,0,0|1,0,0]=3 383 B8R0.3 CCN[C@@H](C)C(=O)OC M32327 [0,2,0,0,0,0|2,0,0]=4 384 B8R0.3 CCOC(=O)C(=O)CBr E15776 [0,2,0,0,0,0|2,0,0]=4 385 B8R0.3 CCOC(=O)C(=O)CBr E2491 [0,2,0,0,0,0|2,0,0]=4 386 B8R0.3 CCOC(=O)C(=O)CC E67705 [0,2,0,0,0,0|2,0,0]=4 387 B8R0.3 COC[C@@H](N)C(=O)OC M38225 [0,2,0,0,0,0|2,0,0]=4 388 B8R0.6 CCCC=CC(=O)OC M43802 [0,2,0,0,0,0|1,0,0]=3 389 B8R0.6 CCCCCC(=O)CBr B43868 [0,2,0,0,0,0|1,0,0]=3 390 B8R0.6 CCCCNC(=O)CCl B41547 [0,2,0,0,0,0|1,0,0]=3 391 B8R0.6 CNCCCC(=O)OC M43486 [0,2,0,0,0,0|1,0,0]=3 392 B8R0.6 COC(=O)CCCCBr M41523 [0,2,0,0,0,0|1,0,0]=3 393 B8R0.6 COC(=O)CCCCCl M63406 [0,2,0,0,0,0|1,0,0]=3 394 B8R0.6 COC(=O)CCCCN M43490 [0,2,0,0,0,0|1,0,0]=3 395 B8R0.6 COC(=O)COCCCl M41275 [0,2,0,0,0,0|1,0,0]=3 396 B8R0.6 COCCCC(=O)OC M68350 [0,2,0,0,0,0|1,0,0]=3 397 B8R0.8 CCCCC(=O)[C@H](C)N A46508 [0,2,0,0,0,0|1,0,0]=3 398 B8R0.8 CCCC[C@H](N)C(=O)O A68582 [0,2,0,0,0,0|2,0,0]=4 399 B8R0.8 CSCCC(O)C(=O)[O-] C54080 [0,2,0,0,0,0|2,0,0]=4 400 B8R0.8 CSCC[C@H](N)C(=O)O M60616 [0,2,0,0,0,0|2,0,0]=4 401 B8R0.7 C#CCCCCC(=O)O H43713 [0,2,0,0,0,0|2,0,0]=4 402 B8R0.7 C=CCCCCC(=O)O H63383 [0,2,0,0,0,0|2,0,0]=4 403 B8R0.7 COCCOCC(=O)O M37948 [0,2,0,0,0,0|1,0,0]=3 404 B8R0.7 NCCNCCC(=O)[O-] S41302 [0,2,0,0,0,0|2,0,0]=4 405 B8R0.7 NCCOCCC(=O)O A40415 [0,2,0,0,0,0|2,0,0]=4 406 B8R0.7 O=C(O)CCCCCBr B67880 [0,2,0,0,0,0|2,0,0]=4 407 B8R0.7 O=C(O)CCCCCCl C41527 [0,2,0,0,0,0|2,0,0]=4 408 B8R0.7 O=C(O)CCOCCBr B41274 [0,2,0,0,0,0|2,0,0]=4 409 B8R0.7 O=C([O-])CCCCCO P41406 [0,2,0,0,0,0|2,0,0]=4 410 B8R0.21 CCCCOS(C)(=O)=O B69150 [0,2,0,0,0,0|1,0,0]=3 411 B8R0.21 COCCOS(C)(=O)=O M39960 [0,2,0,0,0,0|1,0,0]=3 412 B8R0.28 CC(=O)CCC=C(C)C M68353 [0,2,0,0,0,0|1,0,1]=4 413 B8R0.28 CC(=O)CCCC(=O)O A41468 [0,2,0,0,0,0|1,0,1]=4 414 B8R0.28 CC(=O)NCCC(=O)O A60540 [0,2,0,0,0,0|1,0,1]=4 415 B8R0.28 CC(=O)OCOC(C)=O M41231 [0,2,0,0,0,0|0,0,1]=3 416 B8R0.28 CN(C)CCCC(=O)O D43497 [0,2,0,0,0,0|2,0,0]=4 417 B6R1.2 CC1=NCCC1 M41239 [1,0,0,1,0,0|1,0,0]=3 418 B6R1.2 C[C@@H]1CCCN1 M23610 [1,0,0,1,0,0|1,0,1]=4 419 B6R1.2 C[C@H]1CCCN1 M21836 [1,0,0,1,0,0|1,0,1]=4 420 B6R1.2 C[C@H]1CCCN1 M24199 [1,0,0,1,0,0|1,0,1]=4 421 B6R1.2 C[C@H]1CCCN1 M24435 [1,0,0,1,0,0|1,0,1]=4 422 B6R1.2 IC1CCCC1 I20419 [1,0,0,1,0,0|1,0,1]=4 423 B6R1.2 NC1=NCCC1 D38561 [1,0,0,1,0,0|2,0,0]=4 424 B6R1.2 O=C1C=CCC1 C26583 [1,0,0,1,0,0|0,0,2]=4 425 B6R1.2 O=C1C=CCO1 F5673 [1,0,0,1,0,0|0,0,2]=4 426 B6R1.2 O=C1CC=CC1 C19712 [1,0,0,1,0,0|0,0,2]=4 427 B6R1.2 O=C1CCNC1 P0198 [1,0,0,1,0,0|1,0,0]=3 428 B6R1.2 O=C1CCNN1 P39917 [1,0,0,1,0,0|2,0,0]=4 429 B6R1.2 O=C1CCOC1 X0391 [1,0,0,1,0,0|1,0,0]=3 430 B6R1.2 O=C1CCSC1 D10906 [1,0,0,1,0,0|1,0,0]=3 431 B6R1.2 O=C1NCCN1 K62398 [1,0,0,1,0,0|2,0,0]=4 432 B6R1.2 O=C1NCCS1 T39859 [1,0,0,1,0,0|1,1,0]=4 433 B6R1.5 CC1CC(=O)C1 M17286 [1,0,0,1,0,0|0,0,0]=2 434 B6R1.5 CC1CC(N)C1 M41317 [1,0,0,1,0,0|1,0,1]=4 435 B6R1.5 NC1CC(=O)C1 A0660 [1,0,0,1,0,0|1,0,0]=3 436 B6R1.5 O=C1CC(Br)C1 B8012 [1,0,0,1,0,0|1,0,0]=3 437 B6R1.5 O=C1CC(F)C1 F13109 [1,0,0,1,0,0|1,0,0]=3 438 B6R1.5 O=C1CC(O)C1 H10121 [1,0,0,1,0,0|1,0,0]=3 439 B6R1.10 CC1(N)CCC1 M15665 [1,0,0,1,0,0|1,0,1]=4 440 B6R1.10 CC1(N)CCC1 M15666 [1,0,0,1,0,0|1,0,1]=4 441 B6R1.10 CC1(N)CCC1 M6467 [1,0,0,1,0,0|1,0,1]=4 442 B6R1.10 O=S1(=O)CCC1 T5974 [1,0,0,1,0,0|2,0,0]=4 443 B6R1.11 C[C@@H](N)C1CC1 C61147 [1,0,0,1,0,0|1,0,1]=4 444 B6R1.11 C[C@H](N)C1CC1 C41318 [1,0,0,1,0,0|1,0,1]=4 445 B6R1.11 N=C(N)C1CC1 C1448 [1,0,0,1,0,0|2,0,0]=4 446 B6R1.11 O=C(O)C1CC1 C69104 [1,0,0,1,0,0|1,0,0]=3 447 B6R1.1 C1=CCNCC1 T0540 [1,0,0,1,0,0|2,0,0]=4 448 B6R1.1 C1=CCOCC1 D10810 [1,0,0,1,0,0|2,0,0]=4 449 B6R1.1 C1CCNCC1 P67647 [1,0,0,1,0,0|1,0,1]=4 450 B6R1.1 C1CCNNC1 H8288 [1,0,0,1,0,0|2,0,0]=4 451 B6R1.1 C1CCONC1 X13780 [1,0,0,1,0,0|1,0,0]=3 452 B6R1.1 C1CCONC1 X40342 [1,0,0,1,0,0|1,0,0]=3 453 B6R1.1 C1CNCOC1 X40263 [1,0,0,1,0,0|1,0,1]=4 454 B6R1.4 C[C@@H]1OCC1=O M61882 [1,0,0,1,0,0|2,0,0]=4 455 B6R1.4 C[C@H]1COC1=O M6342 [1,0,0,1,0,0|0,0,0]=2 456 B6R1.4 N[C@@H]1CNC1=O A60450 [1,0,0,1,0,0|2,0,0]=4 457 B6R1.4 N[C@H]1CNC1=O A39918 [1,0,0,1,0,0|2,0,0]=4 458 B6R1.6 BrC[C@H]1CCO1 B0614 [1,0,0,1,0,0|1,0,1]=4 459 B6R1.6 IC[C@H]1CCO1 I6940 [1,0,0,1,0,0|1,0,1]=4 460 B6R1.6 NC[C@H]1CCO1 X6187 [1,0,0,1,0,0|1,0,1]=4 461 B6R1.6 OC[C@H]1CCO1 X6188 [1,0,0,1,0,0|1,0,1]=4 462 B8R1.1 C=C[C@@H]1COC(=O)C1 V64256 [0,1,0,1,0,0|0,0,1]=3 463 B8R1.1 C=C[C@@H]1COC(=O)C1 V64417 [0,1,0,1,0,0|0,0,1]=3 464 B8R1.1 NC[C@@H]1CCC(=O)N1 A19938 [0,1,0,1,0,0|2,0,0]=4 465 B8R1.1 NC[C@@H]1CNC(=O)C1 A15732 [0,1,0,1,0,0|1,0,0]=3 466 B8R1.1 NC[C@@H]1CNC(=O)C1 A27672 [0,1,0,1,0,0|1,0,0]=3 467 B8R1.1 NC[C@@H]1CNC(=O)C1 A7263 [0,1,0,1,0,0|1,0,0]=3 468 B8R1.1 NC[C@@H]1CNC(=O)O1 A27512 [0,1,0,1,0,0|1,0,0]=3 469 B8R1.1 NC[C@H]1CCC(=O)N1 A64040 [0,1,0,1,0,0|2,0,0]=4 470 B8R1.1 NC[C@H]1CNC(=O)C1 A18478 [0,1,0,1,0,0|1,0,0]=3 471 B8R1.1 NC[C@H]1CNC(=O)C1 A27671 [0,1,0,1,0,0|1,0,0]=3 472 B8R1.1 NC[C@H]1CNC(=O)O1 A10733 [0,1,0,1,0,0|1,0,0]=3 473 B8R1.1 NC[C@H]1CNC(=O)O1 A21197 [0,1,0,1,0,0|1,0,0]=3 474 B8R1.1 NC[C@H]1COC(=O)N1 A13336 [0,1,0,1,0,0|1,0,0]=3 475 B8R1.1 O=C1C=C(CBr)CO1 B31582 [0,1,0,1,0,0|0,0,2]=4 476 B8R1.1 O=C1C=C(CI)CO1 I6261 [0,1,0,1,0,0|0,0,2]=4 477 B8R1.1 O=C1C=C(CO)CO1 H1535 [0,1,0,1,0,0|0,0,2]=4 478 B8R1.1 O=C1CC[C@@H](CBr)N1 B41220 [0,1,0,1,0,0|2,0,0]=4 479 B8R1.1 O=C1CC[C@@H](CO)N1 H21817 [0,1,0,1,0,0|2,0,0]=4 480 B8R1.1 O=C1CC[C@@H](CO)O1 H41229 [0,1,0,1,0,0|1,0,0]=3 481 B8R1.1 O=C1CC[C@H](CBr)N1 B32099 [0,1,0,1,0,0|2,0,0]=4 482 B8R1.1 O=C1CC[C@H](CBr)O1 B66357 [0,1,0,1,0,0|1,0,0]=3 483 B8R1.1 O=C1CC[C@H](CI)N1 I2851 [0,1,0,1,0,0|2,0,0]=4 484 B8R1.1 O=C1CC[C@H](CI)O1 I2850 [0,1,0,1,0,0|1,0,0]=3 485 B8R1.1 O=C1CC[C@H](CO)N1 H24798 [0,1,0,1,0,0|2,0,0]=4 486 B8R1.1 O=C1CC[C@H](CO)N1 H7102 [0,1,0,1,0,0|2,0,0]=4 487 B8R1.1 O=C1CC[C@H](CO)O1 H5013 [0,1,0,1,0,0|1,0,0]=3 488 B8R1.1 O=C1C[C@H](CO)CN1 H14660 [0,1,0,1,0,0|1,0,0]=3 489 B8R1.1 O=C1NC[C@@H](CCl)O1 C40210 [0,1,0,1,0,0|1,0,0]=3 490 B8R1.1 O=C1NC[C@@H](CO)O1 H26969 [0,1,0,1,0,0|1,0,0]=3 491 B8R1.1 O=C1NC[C@H](CO)O1 H25217 [0,1,0,1,0,0|1,0,0]=3 492 B8R1.1 O=C1N[C@@H](CI)CO1 K40211 [0,1,0,1,0,0|1,0,0]=3 493 B8R1.1 O=C1N[C@@H](CO)CO1 H62331 [0,1,0,1,0,0|1,0,0]=3 494 B8R1.4 CC1CC(N)CCO1 M26284 [0,1,0,1,0,0|1,0,1]=4 495 B8R1.4 CC1CC(O)CCO1 M14345 [0,1,0,1,0,0|1,0,1]=4 496 B8R1.4 CN1CCCC(=O)C1 M13651 [0,1,0,1,0,0|1,0,0]=3 497 B8R1.4 CN1CCNC(=O)C1 M6975 [0,1,0,1,0,0|1,0,0]=3 498 B8R1.4 CN1CCOC(=O)C1 M41260 [0,1,0,1,0,0|0,0,0]=2 499 B8R1.4 C[C@@H]1CC(=O)CCN1 M10735 [0,1,0,1,0,0|1,0,0]=3 500 B8R1.4 C[C@@H]1CC(=O)CCO1 M11329 [0,1,0,1,0,0|1,0,0]=3 501 B8R1.4 C[C@@H]1CNCC(=O)N1 M13313 [0,1,0,1,0,0|2,0,0]=4 502 B8R1.4 C[C@@H]1COCC(=O)N1 M17373 [0,1,0,1,0,0|1,0,0]=3 503 B8R1.4 C[C@@H]1COC[C@@H](C)N1 D27896 [0,1,0,1,0,0|1,0,1]=4 504 B8R1.4 C[C@H]1CC(=O)CCN1 M10734 [0,1,0,1,0,0|1,0,0]=3 505 B8R1.4 C[C@H]1CC(=O)CCN1 M19737 [0,1,0,1,0,0|1,0,0]=3 506 B8R1.4 C[C@H]1CC(=O)CCN1 M8156 [0,1,0,1,0,0|1,0,0]=3 507 B8R1.4 C[C@H]1CC(=O)CCO1 M11328 [0,1,0,1,0,0|1,0,0]=3 508 B8R1.4 C[C@H]1CC(=O)CCO1 M14197 [0,1,0,1,0,0|1,0,0]=3 509 B8R1.4 C[C@H]1CCCC(=O)N1 M23832 [0,1,0,1,0,0|1,0,0]=3 510 B8R1.4 C[C@H]1CCNC(=O)C1 M23793 [0,1,0,1,0,0|1,0,0]=3 511 B8R1.4 C[C@H]1CNCC(=O)N1 M11164 [0,1,0,1,0,0|2,0,0]=4 512 B8R1.4 C[C@H]1COC[C@@H](C)N1 D11279 [0,1,0,1,0,0|1,0,1]=4 513 B8R1.4 NC1=CC(=O)CCC1 A9456 [0,1,0,1,0,0|1,0,1]=4 514 B8R1.4 N[C@H]1CCNC(=O)C1 A0054 [0,1,0,1,0,0|1,0,0]=3 515 B8R1.4 N[C@H]1CCNC(=O)C1 A37105 [0,1,0,1,0,0|1,0,0]=3 516 B8R1.4 O=C1CCCC(=O)C1 C38740 [0,1,0,1,0,0|1,0,1]=4 517 B8R1.4 O=C1CCCC(=O)N1 P69653 [0,1,0,1,0,0|1,0,1]=4 518 B8R1.4 O=C1CCNC(=O)C1 P7969 [0,1,0,1,0,0|1,0,1]=4 519 B8R1.4 O=C1COCC(=O)C1 P7984 [0,1,0,1,0,0|1,0,1]=4 520 B8R1.4 O=C1C[C@@H](O)CCN1 H38902 [0,1,0,1,0,0|1,0,0]=3 521 B8R1.4 O=C1C[C@@H](O)CCN1 H41262 [0,1,0,1,0,0|1,0,0]=3 522 B8R1.18 CC1=CC(=O)C[C@@H]1C D43712 [0,1,0,1,0,0|1,0,1]=4 523 B8R1.18 CC1=CC(=O)O[C@@H]1O H32216 [0,1,0,1,0,0|0,0,2]=4 524 B8R1.18 CN1C[C@@H](N)CC1=O A14746 [0,1,0,1,0,0|2,0,0]=4 525 B8R1.18 C[C@@H]1NC(=O)OC1=O M40162 [0,1,0,1,0,0|1,0,1]=4 526 B8R1.18 C[C@H]1CC(=O)OC1=O M41122 [0,1,0,1,0,0|0,0,1]=3 527 B8R1.31 CC1NCC1C(=O)O M27890 [0,1,0,1,0,0|2,0,0]=4 528 B8R1.31 CN1CC[C@@H]1C(=O)O M22677 [0,1,0,1,0,0|2,0,0]=4 529 B8R1.31 C[C@@H]1CN[C@@H]1C(=O)O A30118 [0,1,0,1,0,0|2,0,0]=4 530 B8R1.31 N[C@@H]1CC[C@@H]1C(=O)O A13712 [0,1,0,1,0,0|2,0,0]=4 531 B8R1.31 N[C@@H]1CC[C@H]1C(=O)O A13711 [0,1,0,1,0,0|2,0,0]=4 532 B8R1.31 N[C@H]1CC[C@@H]1C(=O)O A13334 [0,1,0,1,0,0|2,0,0]=4 533 B8R1.31 N[C@H]1CC[C@H]1C(=O)O A13518 [0,1,0,1,0,0|2,0,0]=4 534 B8R1.31 N[C@H]1CC[C@H]1C(=O)O A29882 [0,1,0,1,0,0|2,0,0]=4 535 B8R1.31 O=C(O)C1CCC1F F59749 [0,1,0,1,0,0|2,0,0]=4 536 B8R1.34 CC(=O)NC1CNC1 A1331 [0,1,0,1,0,0|1,0,0]=3 537 B8R1.34 CC(=O)OC1CNC1 A41259 [0,1,0,1,0,0|0,0,0]=2 538 B8R1.34 CC(=O)OC1CNC1 A43595 [0,1,0,1,0,0|0,0,0]=2 539 B8R1.34 CC(=O)SC1CNC1 T12525 [0,1,0,1,0,0|0,1,0]=3 540 B8R1.34 CC(C)OC1CNC1 A10108 [0,1,0,1,0,0|1,0,1]=4 541 B8R1.34 O=C(O)C=C1CCC1 C10691 [0,1,0,1,0,0|2,0,0]=4 542 B8R1.34 O=C(O)CC1CCC1 C24745 [0,1,0,1,0,0|2,0,0]=4 543 B8R1.34 O=C(O)CC1CNC1 A10213 [0,1,0,1,0,0|2,0,0]=4 544 B8R1.34 O=C(O)CC1COC1 X6649 [0,1,0,1,0,0|2,0,0]=4 545 B8R1.40 COC(=O)CC1CC1 M11217 [0,1,0,1,0,0|1,0,0]=3 546 B8R1.40 O=C(CCl)NC1CC1 C41221 [0,1,0,1,0,0|1,0,0]=3 547 B8R1.51 CC1(C)CCC(=O)N1 D38848 [0,1,0,1,0,0|2,0,0]=4 548 B8R1.51 CC1(C)CCC(=O)O1 D41465 [0,1,0,1,0,0|2,0,0]=4 549 B8R1.51 CC1(C)CNC(=O)C1 D6966 [0,1,0,1,0,0|1,0,0]=3 550 B8R1.51 CC1(C)COC(=O)N1 D0615 [0,1,0,1,0,0|1,0,0]=3 551 B8R1.62 CC1(CO)CC(=O)C1 H20258 [0,1,0,1,0,0|2,0,0]=4 552 B8R1.2 BrCC1=CCCCC1 B10308 [0,1,0,1,0,0|2,0,0]=4 553 B8R1.2 N#CC1=CCCCO1 D43135 [0,1,0,1,0,0|1,0,1]=4 554 B8R1.2 NO[C@@H]1CCCCO1 T24832 [0,1,0,1,0,0|0,0,2]=4 555 B8R1.2 O=CC1=CCCOC1 D43308 [0,1,0,1,0,0|2,0,0]=4 556 B8R1.2 O=CC1=COCCC1 D43307 [0,1,0,1,0,0|2,0,0]=4 557 B8R1.2 O=CN1CCCCC1 P68910 [0,1,0,1,0,0|2,0,0]=4 558 B8R1.2 OC[C@@H]1CCCCO1 X24024 [0,1,0,1,0,0|0,0,2]=4 559 B8R1.3 CC1CCC(=O)CC1 M39288 [0,1,0,1,0,0|1,0,0]=3 560 B8R1.3 CN1CCC(=O)CC1 M28326 [0,1,0,1,0,0|2,0,0]=4 561 B8R1.3 C[C@@H]1CNC(=O)CN1 M29571 [0,1,0,1,0,0|1,0,0]=3 562 B8R1.3 C[C@@H]1CO[C@H](C)CN1 D43484 [0,1,0,1,0,0|1,0,1]=4 563 B8R1.3 C[C@H]1CCC(=O)NC1 P23074 [0,1,0,1,0,0|1,0,0]=3 564 B8R1.3 C[C@H]1CNC(=O)CN1 M17917 [0,1,0,1,0,0|1,0,0]=3 565 B8R1.3 C[C@H]1CN[C@H](C)CO1 D41580 [0,1,0,1,0,0|1,0,1]=4 566 B8R1.3 C[C@H]1CO[C@@H](C)CN1 D43485 [0,1,0,1,0,0|1,0,1]=4 567 B8R1.3 NC1CCC(=O)CC1 A38581 [0,1,0,1,0,0|1,0,0]=3 568 B8R1.3 N[C@H]1CCC(=O)NC1 A0587 [0,1,0,1,0,0|1,0,0]=3 569 B8R1.3 O=C1CCC(=O)NC1 P24057 [0,1,0,1,0,0|1,0,1]=4 570 B8R1.3 O=C1CCC(O)CC1 H18838 [0,1,0,1,0,0|1,0,0]=3 571 B8R1.3 O=C1CC[C@H](O)CN1 H22093 [0,1,0,1,0,0|1,0,0]=3 572 B8R1.3 O=C1COC(=O)CO1 D40112 [0,1,0,1,0,0|1,0,1]=4 573 B8R1.5 CC1=NCCCN1C D39201 [0,1,0,1,0,0|2,0,0]=4 574 B8R1.5 CN1CCNCC1=O M12652 [0,1,0,1,0,0|2,0,0]=4 575 B8R1.5 CN1CCNCC1=O M4395 [0,1,0,1,0,0|2,0,0]=4 576 B8R1.5 C[C@H]1CCCCC1=O M68370 [0,1,0,1,0,0|1,0,0]=3 577 B8R1.5 C[C@H]1CCCNC1=O P23372 [0,1,0,1,0,0|1,0,0]=3 578 B8R1.5 C[C@H]1CCNCC1=O M14887 [0,1,0,1,0,0|2,0,0]=4 579 B8R1.5 C[C@H]1CNCCC1=O M14880 [0,1,0,1,0,0|2,0,0]=4 580 B8R1.5 C[C@H]1CNCCC1=O M41497 [0,1,0,1,0,0|2,0,0]=4 581 B8R1.5 C[C@H]1COCCC1=O M11408 [0,1,0,1,0,0|2,0,0]=4 582 B8R1.5 NN1CCCCC1=O A41312 [0,1,0,1,0,0|1,0,0]=3 583 B8R1.5 N[C@@H]1CCCNC1=O A41314 [0,1,0,1,0,0|1,0,0]=3 584 B8R1.5 N[C@H]1CCCCC1=O A63504 [0,1,0,1,0,0|1,0,0]=3 585 B8R1.5 N[C@H]1CCCNC1=O A38933 [0,1,0,1,0,0|1,0,0]=3 586 B8R1.5 N[C@H]1CCCNC1=O A41313 [0,1,0,1,0,0|1,0,0]=3 587 B8R1.5 N[C@H]1CCCNC1=O A64847 [0,1,0,1,0,0|1,0,0]=3 588 B8R1.5 O=C1CCCC=C1Br B3408 [0,1,0,1,0,0|1,0,1]=4 589 B8R1.5 O=C1CCCCC1=O C67839 [0,1,0,1,0,0|1,0,0]=3 590 B8R1.5 O=C1CCNC[C@@H]1F F11694 [0,1,0,1,0,0|2,0,0]=4 591 B8R1.5 O=C1CCNC[C@@H]1F F13759 [0,1,0,1,0,0|2,0,0]=4 592 B8R1.5 O=C1CCOC[C@@H]1Br B7711 [0,1,0,1,0,0|2,0,0]=4 593 B8R1.5 O=C1CCOC[C@@H]1F F5739 [0,1,0,1,0,0|2,0,0]=4 594 B8R1.5 O=C1NCCC[C@@H]1Br B41219 [0,1,0,1,0,0|1,0,0]=3 595 B8R1.5 O=C1NCCC[C@@H]1O H36756 [0,1,0,1,0,0|1,0,0]=3 596 B8R1.22 O=C1C=CCCCC1 C67890 [0,1,0,1,0,0|1,0,0]=3 597 B8R1.22 O=C1CCCNCC1 H12307 [0,1,0,1,0,0|1,0,0]=3 598 B8R1.22 O=C1CCOCCN1 X16165 [0,1,0,1,0,0|1,0,0]=3 599 B8R1.22 O=C1CCSCCN1 T6235 [0,1,0,1,0,0|1,0,0]=3 600 B8R1.22 O=C1CNCCCN1 D38834 [0,1,0,1,0,0|1,0,0]=3 601 B8R1.38 COC(=O)C1CNC1 M5857 [0,1,0,1,0,0|2,0,0]=4 602 B8R1.38 COC(=O)C1COC1 M15764 [0,1,0,1,0,0|2,0,0]=4 603 B8R1.38 COC(=O)[C@@H]1CCN1 M11233 [0,1,0,1,0,0|2,0,0]=4 604 B8R1.38 COC(=O)[C@@H]1CCN1 M11611 [0,1,0,1,0,0|2,0,0]=4 605 B8R1.38 COC(=O)[C@H]1CCN1 M11612 [0,1,0,1,0,0|2,0,0]=4 606 B8R1.38 NNC(=O)C1CCC1 C12362 [0,1,0,1,0,0|2,0,0]=4 607 B8R1.50 O=C1OC[C@@H](O)[C@H]1O D40215 [0,1,0,1,0,0|1,0,0]=3 608 B8R1.52 C[C@]1(CN)CCCO1 M31869 [0,1,0,1,0,0|1,0,1]=4 609 B8R1.7 CC(=O)C1CCCC1 C69351 [0,1,0,1,0,0|1,0,0]=3 610 B8R1.7 CC(=O)[C@H]1NCCS1 T41381 [0,1,0,1,0,0|1,1,0]=4 611 B8R1.7 N=C(N)[C@@H]1CCCO1 T41316 [0,1,0,1,0,0|2,0,0]=4 612 B8R1.7 NC(=O)[C@@H]1CCCN1 P23637 [0,1,0,1,0,0|2,0,0]=4 613 B8R1.7 NC(=O)[C@@H]1CCCN1 P64914 [0,1,0,1,0,0|2,0,0]=4 614 B8R1.7 NC(=O)[C@@H]1CCCN1 P67734 [0,1,0,1,0,0|2,0,0]=4 615 B8R1.7 NC(=O)[C@@H]1CCNC1 P0296 [0,1,0,1,0,0|2,0,0]=4 616 B8R1.7 NC(=O)[C@H]1CCCN1 P40370 [0,1,0,1,0,0|2,0,0]=4 617 B8R1.7 NC(=O)[C@H]1CCNC1 P0295 [0,1,0,1,0,0|2,0,0]=4 618 B8R1.7 NC(=O)[C@H]1CCNC1 P1146 [0,1,0,1,0,0|2,0,0]=4 619 B8R1.7 NC(=O)[C@H]1CCNC1 P7510 [0,1,0,1,0,0|2,0,0]=4 620 B8R1.7 NC(=O)[C@H]1CCNC1 P7511 [0,1,0,1,0,0|2,0,0]=4 621 B8R1.7 NC(=O)[C@H]1CCOC1 T11900 [0,1,0,1,0,0|2,0,0]=4 622 B8R1.7 O=C(Cl)[C@H]1CCOC1 T41177 [0,1,0,1,0,0|2,0,0]=4 623 B8R1.7 O=C(O)C1=CCCC1 C43305 [0,1,0,1,0,0|2,0,0]=4 624 B8R1.7 O=C(O)C1CCCC1 C23144 [0,1,0,1,0,0|2,0,0]=4 625 B8R1.7 O=C(O)[C@@H]1CCCN1 P69799 [0,1,0,1,0,0|2,0,0]=4 626 B8R1.7 O=C(O)[C@@H]1CCCO1 T37842 [0,1,0,1,0,0|1,0,0]=3 627 B8R1.7 O=C(O)[C@@H]1CCCO1 X25975 [0,1,0,1,0,0|1,0,0]=3 628 B8R1.7 O=C(O)[C@@H]1CCCS1 T41225 [0,1,0,1,0,0|1,1,0]=4 629 B8R1.7 O=C(O)[C@@H]1CCNC1 P12309 [0,1,0,1,0,0|2,0,0]=4 630 B8R1.7 O=C(O)[C@@H]1CCNC1 P6961 [0,1,0,1,0,0|2,0,0]=4 631 B8R1.7 O=C(O)[C@@H]1CCOC1 T1673 [0,1,0,1,0,0|2,0,0]=4 632 B8R1.7 O=C(O)[C@H]1CCCO1 T25974 [0,1,0,1,0,0|1,0,0]=3 633 B8R1.7 O=C(O)[C@H]1CCNC1 P1152 [0,1,0,1,0,0|2,0,0]=4 634 B8R1.7 O=C(O)[C@H]1CCNC1 P1524 [0,1,0,1,0,0|2,0,0]=4 635 B8R1.7 O=C(O)[C@H]1CCNC1 P15767 [0,1,0,1,0,0|2,0,0]=4 636 B8R1.7 O=C(O)[C@H]1CCNC1 P41372 [0,1,0,1,0,0|2,0,0]=4 637 B8R1.7 O=C(O)[C@H]1CCOC1 T0394 [0,1,0,1,0,0|2,0,0]=4 638 B8R1.7 O=C(O)[C@H]1CCOC1 T0395 [0,1,0,1,0,0|2,0,0]=4 639 B8R1.35 O=C(O)\C=C\C1CC1 C29885 [0,1,0,1,0,0|2,0,0]=4 640 B8R1.72 CC1(C)CNCCO1 D11989 [0,1,0,1,0,0|1,0,1]=4 641 B8R1.72 CC1(C)CNCCO1 D1343 [0,1,0,1,0,0|1,0,1]=4 642 B8R1.72 O=S1(=O)CCCCN1 T40268 [0,1,0,1,0,0|2,0,0]=4 643 B8R1.72 O=S1(=O)CCCCO1 B69155 [0,1,0,1,0,0|1,0,0]=3 644 B8R1.23 CC(=O)C1CC(O)C1 H22946 [0,1,0,1,0,0|1,0,0]=3 645 B8R1.23 CC(=O)N1CC(N)C1 A11253 [0,1,0,1,0,0|1,0,0]=3 646 B8R1.23 CC(=O)N1CC(O)C1 A15322 [0,1,0,1,0,0|1,0,0]=3 647 B8R1.23 CC1CC(C(=O)O)C1 M14949 [0,1,0,1,0,0|2,0,0]=4 648 B8R1.23 C[C@H]1C[C@@H](C(=O)O)C1 M10526 [0,1,0,1,0,0|2,0,0]=4 649 B8R1.23 C[C@H]1C[C@H](C(=O)O)C1 M10527 [0,1,0,1,0,0|2,0,0]=4 650 B8R1.23 NC1CC(C(=O)O)C1 A12181 [0,1,0,1,0,0|2,0,0]=4 651 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 A0232 [0,1,0,1,0,0|2,0,0]=4 652 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 SB7470 [0,1,0,1,0,0|2,0,0]=4 653 B8R1.23 N[C@H]1C[C@H](C(=O)O)C1 A0233 [0,1,0,1,0,0|2,0,0]=4 654 B8R1.23 N[C@H]1C[C@H](C(=O)O)C1 SB7471 [0,1,0,1,0,0|2,0,0]=4 655 B8R1.23 O=C(O)C1CC(Cl)C1 C15268 [0,1,0,1,0,0|2,0,0]=4 656 B8R1.23 O=C(O)C1CC(F)C1 F0317 [0,1,0,1,0,0|2,0,0]=4 657 B8R1.23 O=C(O)C1CC(O)C1 H12369 [0,1,0,1,0,0|2,0,0]=4 658 B8R1.23 O=C(O)[C@H]1C[C@@H](F)C1 F59936 [0,1,0,1,0,0|2,0,0]=4 659 B8R1.23 O=C(O)[C@H]1C[C@@H](O)C1 H11727 [0,1,0,1,0,0|2,0,0]=4 660 B8R1.23 O=C(O)[C@H]1C[C@H](Cl)C1 C29816 [0,1,0,1,0,0|2,0,0]=4 661 B8R1.23 O=C(O)[C@H]1C[C@H](F)C1 F60295 [0,1,0,1,0,0|2,0,0]=4 662 B8R1.23 O=C(O)[C@H]1C[C@H](O)C1 H14950 [0,1,0,1,0,0|2,0,0]=4 663 B8R1.54 N[C@@H](C(=O)O)C1CC1 A11037 [0,1,0,1,0,0|2,0,0]=4 664 B8R1.54 N[C@H](C(=O)O)C1CC1 A67725 [0,1,0,1,0,0|2,0,0]=4 665 B8R1.54 O=C(O)C(=O)C1CC1 C41121 [0,1,0,1,0,0|2,0,0]=4 666 B8R1.78 CC(=O)C1(C)COC1 M7156 [0,1,0,1,0,0|2,0,0]=4 667 B8R1.78 CC1(C(=O)O)CCC1 M11732 [0,1,0,1,0,0|2,0,0]=4 668 B8R1.78 NC1(C(=O)O)CCC1 A10609 [0,1,0,1,0,0|2,0,0]=4 669 B8R1.78 NC1(C(=O)O)CCC1 A26979 [0,1,0,1,0,0|2,0,0]=4 670 B8R1.77 CC1(C)C[C@@H]1C(=O)O D19962 [0,1,0,1,0,0|2,0,0]=4 671 B8R1.77 CC1(C)C[C@@H]1C(=O)O D25255 [0,1,0,1,0,0|2,0,0]=4 672 B8R1.77 CC1(C)C[C@@H]1C(N)=O D68613 [0,1,0,1,0,0|2,0,0]=4 673 B8R2.18 O=C1CC2CC2C1 B43299 [0,0,0,2,0,0|1,0,0]=3 674 B8R2.53 O=C1CC2(CC2)C1 S60485 [0,0,0,2,0,0|1,0,0]=3