0 B6R0.1 CCC[C@@H](Cl)CC C63946 [0,0,0,0,0,0|2,0,1]=3 1 B6R0.1 CCC[C@H](N)CO A40443 [0,0,0,0,0,0|1,0,2]=3 2 B6R0.1 CCC[C@H](N)CO A66421 [0,0,0,0,0,0|1,0,2]=3 3 B6R0.1 CCO\C(C)=N\O E68624 [0,0,0,0,0,0|2,0,2]=4 4 B6R0.1 CNC[C@H](O)CO M37886 [0,0,0,0,0,0|2,0,2]=4 5 B6R0.1 CO[C@@H](C)CCO M68623 [0,0,0,0,0,0|3,0,0]=3 6 B5R0.1 C=C(C)CON M40345 [1,0,0,0,0,0|2,0,1]=4 7 B5R0.1 C=C(C)OCC E5573 [1,0,0,0,0,0|1,0,1]=3 8 B5R0.1 C=CC[C@H](C)O P62507 [1,0,0,0,0,0|0,0,3]=4 9 B5R0.1 CC#C[C@H](C)O B1790 [1,0,0,0,0,0|0,0,3]=4 10 B5R0.1 CC(=O)CC#N X40158 [1,0,0,0,0,0|1,0,2]=4 11 B5R0.1 CC(=O)CCCl C69539 [1,0,0,0,0,0|1,0,1]=3 12 B5R0.1 CC(C)CNN B40316 [1,0,0,0,0,0|2,0,1]=4 13 B5R0.1 CCCB(O)O P5056 [1,0,0,0,0,0|2,0,1]=4 14 B5R0.1 CCC[C@@H](C)N P16023 [1,0,0,0,0,0|1,0,0]=2 15 B5R0.1 CCC[C@H](C)N P22363 [1,0,0,0,0,0|1,0,0]=2 16 B5R0.1 CCOC(C)=N E68065 [1,0,0,0,0,0|2,0,1]=4 17 B5R0.1 CN(C)CCBr B39953 [1,0,0,0,0,0|2,0,1]=4 18 B5R0.1 CNCC(=O)O M68590 [1,0,0,0,0,0|2,0,1]=4 19 B5R0.1 CNCC(N)=O M68358 [1,0,0,0,0,0|2,0,1]=4 20 B5R0.1 COCC(=O)O M69331 [1,0,0,0,0,0|2,0,1]=4 21 B5R0.1 COC[C@@H](C)N M40311 [1,0,0,0,0,0|2,0,0]=3 22 B5R0.1 COC[C@@H](C)O M39959 [1,0,0,0,0,0|1,0,1]=3 23 B5R0.1 COC[C@H](C)O M61064 [1,0,0,0,0,0|1,0,1]=3 24 B5R0.1 C[C@@H](N)CCO A10772 [1,0,0,0,0,0|2,0,0]=3 25 B5R0.1 C[C@H](N)CCO A10771 [1,0,0,0,0,0|2,0,0]=3 26 B5R0.1 C[C@H](N)CCO A39964 [1,0,0,0,0,0|2,0,0]=3 27 B5R0.1 C[C@H](O)CCO B68917 [1,0,0,0,0,0|1,0,1]=3 28 B5R0.1 NCCC(N)=O A67869 [1,0,0,0,0,0|2,0,1]=4 29 B5R0.1 NCC[P@H](=O)O A39788 [1,0,0,0,0,0|3,0,0]=4 30 B5R0.1 O=[N+]([O-])CCO N39779 [1,0,0,0,0,0|3,0,0]=4 31 B5R0.1 OCCC(F)F D60407 [1,0,0,0,0,0|3,0,0]=4 32 B5R0.2 BrCCCCBr D69410 [1,0,0,0,0,0|2,0,1]=4 33 B5R0.2 C#CCCCCl C68183 [1,0,0,0,0,0|2,0,1]=4 34 B5R0.2 C#CCCCI I8474 [1,0,0,0,0,0|2,0,1]=4 35 B5R0.2 C#CCCCN P41368 [1,0,0,0,0,0|2,0,1]=4 36 B5R0.2 C#CCCCO P68382 [1,0,0,0,0,0|2,0,1]=4 37 B5R0.2 C=CCCCBr B41237 [1,0,0,0,0,0|2,0,0]=3 38 B5R0.2 C=CCCCCl C41238 [1,0,0,0,0,0|2,0,0]=3 39 B5R0.2 C=CCCCO P36921 [1,0,0,0,0,0|2,0,0]=3 40 B5R0.2 CCCCON B40310 [1,0,0,0,0,0|2,0,0]=3 41 B5R0.2 CCO\C=C/Br B2725 [1,0,0,0,0,0|2,0,1]=4 42 B5R0.2 CNCCCCl C39954 [1,0,0,0,0,0|2,0,1]=4 43 B5R0.2 CNCCCO M36844 [1,0,0,0,0,0|1,0,2]=4 44 B5R0.2 CNCCOC M23409 [1,0,0,0,0,0|3,0,0]=4 45 B5R0.2 COCCC#N M39153 [1,0,0,0,0,0|2,0,1]=4 46 B5R0.2 COCCCBr B68335 [1,0,0,0,0,0|2,0,1]=4 47 B5R0.2 COCCCO M69411 [1,0,0,0,0,0|1,0,2]=4 48 B5R0.2 ClCCCCI C40239 [1,0,0,0,0,0|2,0,1]=4 49 B5R0.2 ICCCCI D37834 [1,0,0,0,0,0|2,0,1]=4 50 B5R0.2 N#CCCCBr B67593 [1,0,0,0,0,0|2,0,1]=4 51 B5R0.2 N#CCCCCl C64907 [1,0,0,0,0,0|2,0,1]=4 52 B5R0.2 NCCCCBr B39952 [1,0,0,0,0,0|2,0,1]=4 53 B5R0.2 NCCCCN D39162 [1,0,0,0,0,0|2,0,1]=4 54 B5R0.2 OCCCCBr B67330 [1,0,0,0,0,0|1,0,2]=4 55 B5R0.3 C=C[C@H](C)ON B40346 [1,0,0,0,0,0|3,0,0]=4 56 B5R0.3 C=C[C@H](N)CO A40343 [1,0,0,0,0,0|3,0,0]=4 57 B5R0.3 CC(CBr)CBr D40238 [1,0,0,0,0,0|2,0,1]=4 58 B5R0.3 CC(CO)CO M60880 [1,0,0,0,0,0|1,0,2]=4 59 B5R0.3 CCC(N)CC P40440 [1,0,0,0,0,0|2,0,1]=4 60 B5R0.3 CC[C@@H](N)CO A39144 [1,0,0,0,0,0|1,0,2]=4 61 B5R0.3 CC[C@@H](O)CO B39955 [1,0,0,0,0,0|1,0,2]=4 62 B5R0.3 CC[C@H](N)CO A39145 [1,0,0,0,0,0|1,0,2]=4 63 B5R0.3 CC[C@H](O)CO B39956 [1,0,0,0,0,0|1,0,2]=4 64 B5R0.3 CO[C@@H](C)CN M40313 [1,0,0,0,0,0|2,0,1]=4 65 B5R0.3 CO[C@@H](C)CO M68380 [1,0,0,0,0,0|1,0,2]=4 66 B5R0.3 CO[C@H](C)CN M40312 [1,0,0,0,0,0|2,0,1]=4 67 B5R0.3 CO[C@H](C)CO M68381 [1,0,0,0,0,0|1,0,2]=4 68 B5R0.3 O=CC(Br)C=O B2627 [1,0,0,0,0,0|2,0,1]=4 69 B5R0.3 O=C[C@H](O)CO D39873 [1,0,0,0,0,0|2,0,0]=3 70 B7R0.2 CC(C)C[C@@H](N)CO L41620 [0,1,0,0,0,0|1,0,2]=4 71 B7R0.2 CC(C)C[C@H](N)CO A68907 [0,1,0,0,0,0|1,0,2]=4 72 B7R0.2 CC(C=O)=CN(C)C D41498 [0,1,0,0,0,0|1,0,2]=4 73 B7R0.2 C[C@H](CCl)CN(C)C C41612 [0,1,0,0,0,0|2,0,1]=4 74 B7R0.3 CCCC[C@@H](N)CO A43512 [0,1,0,0,0,0|1,0,2]=4 75 B7R0.3 CCCC[C@@H]([Mg+])CC E31708 [0,1,0,0,0,0|2,0,1]=4 76 B7R0.5 C#CC[C@@H](N)C(=O)O A41167 [0,1,0,0,0,0|1,0,2]=4 77 B7R0.5 C#CC[C@@H](N)C(=O)O A41354 [0,1,0,0,0,0|1,0,2]=4 78 B7R0.5 C#CC[C@H](N)C(=O)O A41168 [0,1,0,0,0,0|1,0,2]=4 79 B7R0.5 C#CC[C@H](N)C(=O)O A41353 [0,1,0,0,0,0|1,0,2]=4 80 B7R0.5 C#CC[C@H](N)C(=O)O A41355 [0,1,0,0,0,0|1,0,2]=4 81 B7R0.5 C=CC[C@@H](N)C(=O)O A41371 [0,1,0,0,0,0|1,0,2]=4 82 B7R0.5 C=CC[C@H](N)C(=O)O A68612 [0,1,0,0,0,0|1,0,2]=4 83 B7R0.5 CCC=C(C)C(=O)O M39198 [0,1,0,0,0,0|0,0,2]=3 84 B7R0.5 CCC[C@@H](N)C(=O)O N40406 [0,1,0,0,0,0|1,0,0]=2 85 B7R0.5 CCC[C@H](O)C(=O)O H40390 [0,1,0,0,0,0|1,0,0]=2 86 B7R0.5 CCOC(=O)C(=O)O E36772 [0,1,0,0,0,0|2,0,1]=4 87 B7R0.5 CCOC(=O)C(C)=O E60800 [0,1,0,0,0,0|2,0,1]=4 88 B7R0.5 CCOC(=O)C(N)=O E60589 [0,1,0,0,0,0|2,0,1]=4 89 B7R0.5 CC\C=C(/C)C(=O)O M41462 [0,1,0,0,0,0|0,0,2]=3 90 B7R0.5 COC[C@@H](N)C(=O)O A40353 [0,1,0,0,0,0|2,0,0]=3 91 B7R0.5 COC[C@@H](N)C(=O)O A61058 [0,1,0,0,0,0|2,0,0]=3 92 B7R0.5 COC[C@H](Br)C(=O)O B40233 [0,1,0,0,0,0|2,0,0]=3 93 B7R0.5 COC[C@H](N)C(=O)O A40354 [0,1,0,0,0,0|2,0,0]=3 94 B7R0.5 COC[C@H](N)C(=O)O A67760 [0,1,0,0,0,0|2,0,0]=3 95 B7R0.5 NCC[C@@H](N)C(=O)O D40355 [0,1,0,0,0,0|2,0,0]=3 96 B7R0.5 NCC[C@H](F)C(=O)O A63044 [0,1,0,0,0,0|2,0,0]=3 97 B7R0.5 NCC[C@H](N)C(=O)O D37858 [0,1,0,0,0,0|2,0,0]=3 98 B7R0.5 NCC[C@H](N)C(=O)O D68313 [0,1,0,0,0,0|2,0,0]=3 99 B7R0.5 NCC[C@H](O)C(=O)O A39157 [0,1,0,0,0,0|2,0,0]=3 100 B7R0.5 NOC[C@H](N)C(=O)O A39931 [0,1,0,0,0,0|3,0,0]=4 101 B7R0.5 N[C@@H](CCBr)C(=O)O A37762 [0,1,0,0,0,0|2,0,0]=3 102 B7R0.5 N[C@@H](CCO)C(=O)O A68603 [0,1,0,0,0,0|2,0,0]=3 103 B7R0.5 N[C@@H](CCS)C(=O)O H68345 [0,1,0,0,0,0|2,0,0]=3 104 B7R0.5 N[C@H](CCO)C(=O)O A68363 [0,1,0,0,0,0|2,0,0]=3 105 B7R0.5 N[C@H](CCS)C(=O)O A66150 [0,1,0,0,0,0|2,0,0]=3 106 B7R0.7 CCC[C@H](N)CCO A43513 [0,1,0,0,0,0|1,0,2]=4 107 B7R0.7 CCOC(=O)[CH-]C=O E29890 [0,1,0,0,0,0|2,0,1]=4 108 B7R0.10 CC[C@H](C)[C@H](N)CO K68906 [0,1,0,0,0,0|1,0,2]=4 109 B7R0.12 COC(CCBr)OC B40419 [0,1,0,0,0,0|3,0,0]=4 110 B7R0.12 COCC(OC)OC T40436 [0,1,0,0,0,0|3,0,0]=4 111 B7R1.1 BrCC1CCCC1 B23399 [0,0,0,1,0,0|1,0,1]=3 112 B7R1.1 BrC[C@H]1CCCO1 B17294 [0,0,0,1,0,0|2,0,1]=4 113 B7R1.1 BrC[C@H]1CCOC1 T0399 [0,0,0,1,0,0|2,0,1]=4 114 B7R1.1 C#C[C@H]1CCOC1 E11326 [0,0,0,1,0,0|2,0,1]=4 115 B7R1.1 CC[C@@H]1CCNC1 E22541 [0,0,0,1,0,0|2,0,1]=4 116 B7R1.1 CC[C@H]1CCNC1 E22542 [0,0,0,1,0,0|2,0,1]=4 117 B7R1.1 CN[C@@H]1CCOC1 M15031 [0,0,0,1,0,0|3,0,0]=4 118 B7R1.1 CN[C@H]1CCOC1 M1156 [0,0,0,1,0,0|3,0,0]=4 119 B7R1.1 CO[C@@H]1CCNC1 M0200 [0,0,0,1,0,0|3,0,0]=4 120 B7R1.1 CO[C@@H]1CCNC1 M12251 [0,0,0,1,0,0|3,0,0]=4 121 B7R1.1 CO[C@H]1CCNC1 M1159 [0,0,0,1,0,0|3,0,0]=4 122 B7R1.1 CO[C@H]1CCNC1 M7459 [0,0,0,1,0,0|3,0,0]=4 123 B7R1.1 FC[C@@H]1CCCN1 F1127 [0,0,0,1,0,0|2,0,1]=4 124 B7R1.1 FC[C@@H]1CCNC1 F60420 [0,0,0,1,0,0|2,0,1]=4 125 B7R1.1 FC[C@H]1CCCN1 F12954 [0,0,0,1,0,0|2,0,1]=4 126 B7R1.1 IC[C@H]1CCOC1 I12451 [0,0,0,1,0,0|2,0,1]=4 127 B7R1.1 N#C[C@@H]1CCCN1 C10155 [0,0,0,1,0,0|2,0,1]=4 128 B7R1.1 N#C[C@@H]1CCCN1 C10523 [0,0,0,1,0,0|2,0,1]=4 129 B7R1.1 N#C[C@@H]1CCCN1 C12934 [0,0,0,1,0,0|2,0,1]=4 130 B7R1.1 N#C[C@@H]1CCCN1 C12935 [0,0,0,1,0,0|2,0,1]=4 131 B7R1.1 N#C[C@@H]1CCNC1 P1832 [0,0,0,1,0,0|2,0,1]=4 132 B7R1.1 N#C[C@@H]1CCOC1 T12072 [0,0,0,1,0,0|2,0,1]=4 133 B7R1.1 N#C[C@H]1CCCN1 C10524 [0,0,0,1,0,0|2,0,1]=4 134 B7R1.1 N#C[C@H]1CCCN1 C12936 [0,0,0,1,0,0|2,0,1]=4 135 B7R1.1 N#C[C@H]1CCNC1 C7506 [0,0,0,1,0,0|2,0,1]=4 136 B7R1.1 N#C[C@H]1CCNC1 P12308 [0,0,0,1,0,0|2,0,1]=4 137 B7R1.1 N#C[C@H]1CCNC1 P1833 [0,0,0,1,0,0|2,0,1]=4 138 B7R1.1 N#C[C@H]1CCOC1 T12073 [0,0,0,1,0,0|2,0,1]=4 139 B7R1.1 N#C[C@H]1CCOC1 T12452 [0,0,0,1,0,0|2,0,1]=4 140 B7R1.1 NCC1CCCC1 C5395 [0,0,0,1,0,0|1,0,1]=3 141 B7R1.1 NC[C@@H]1CCCN1 A7822 [0,0,0,1,0,0|2,0,1]=4 142 B7R1.1 NC[C@@H]1CCCO1 T25038 [0,0,0,1,0,0|2,0,1]=4 143 B7R1.1 NC[C@@H]1CCOC1 T10325 [0,0,0,1,0,0|2,0,1]=4 144 B7R1.1 NC[C@@H]1CCOC1 T1675 [0,0,0,1,0,0|2,0,1]=4 145 B7R1.1 NC[C@H]1CCCN1 A60830 [0,0,0,1,0,0|2,0,1]=4 146 B7R1.1 NC[C@H]1CCOC1 T10324 [0,0,0,1,0,0|2,0,1]=4 147 B7R1.1 NC[C@H]1CCOC1 T1153 [0,0,0,1,0,0|2,0,1]=4 148 B7R1.1 NC[C@H]1CCOC1 T1674 [0,0,0,1,0,0|2,0,1]=4 149 B7R1.1 NC[C@H]1CCOC1 T7262 [0,0,0,1,0,0|2,0,1]=4 150 B7R1.1 NNC1CCCC1 C22580 [0,0,0,1,0,0|2,0,0]=3 151 B7R1.1 O=CC1=CCCC1 C69466 [0,0,0,1,0,0|0,0,2]=3 152 B7R1.1 O=CC1CCCC1 C25963 [0,0,0,1,0,0|0,0,0]=1 153 B7R1.1 OCC1CCCC1 C23297 [0,0,0,1,0,0|0,0,2]=3 154 B7R1.1 OC[C@@H]1CCCN1 P1125 [0,0,0,1,0,0|1,0,2]=4 155 B7R1.1 OC[C@@H]1CCCN1 P1542 [0,0,0,1,0,0|1,0,2]=4 156 B7R1.1 OC[C@@H]1CCCO1 T40383 [0,0,0,1,0,0|1,0,2]=4 157 B7R1.1 OC[C@@H]1CCNC1 H11286 [0,0,0,1,0,0|1,0,2]=4 158 B7R1.1 OC[C@@H]1CCNC1 P1348 [0,0,0,1,0,0|1,0,2]=4 159 B7R1.1 OC[C@@H]1CCOC1 T0397 [0,0,0,1,0,0|1,0,2]=4 160 B7R1.1 OC[C@H]1CCCN1 P14128 [0,0,0,1,0,0|1,0,2]=4 161 B7R1.1 OC[C@H]1CCCN1 P67898 [0,0,0,1,0,0|1,0,2]=4 162 B7R1.1 OC[C@H]1CCCO1 T67581 [0,0,0,1,0,0|1,0,2]=4 163 B7R1.1 OC[C@H]1CCCO1 T68627 [0,0,0,1,0,0|1,0,2]=4 164 B7R1.1 OC[C@H]1CCNC1 H1594 [0,0,0,1,0,0|1,0,2]=4 165 B7R1.1 OC[C@H]1CCNC1 H7915 [0,0,0,1,0,0|1,0,2]=4 166 B7R1.1 OC[C@H]1CCNC1 P1155 [0,0,0,1,0,0|1,0,2]=4 167 B7R1.1 OC[C@H]1CCNC1 P41328 [0,0,0,1,0,0|1,0,2]=4 168 B7R1.1 OC[C@H]1CCNC1 P6954 [0,0,0,1,0,0|1,0,2]=4 169 B7R1.1 OC[C@H]1CCOC1 T0396 [0,0,0,1,0,0|1,0,2]=4 170 B7R1.1 OC[C@H]1CCOC1 T0398 [0,0,0,1,0,0|1,0,2]=4 171 B7R1.2 C[C@@H]1CC[C@@H](C)N1 D60301 [0,0,0,1,0,0|2,0,1]=4 172 B7R1.2 C[C@@H]1C[C@H](O)CN1 M29502 [0,0,0,1,0,0|2,0,1]=4 173 B7R1.2 C[C@H]1C[C@H](O)CN1 M29501 [0,0,0,1,0,0|2,0,1]=4 174 B7R1.3 BrC1CCCCC1 B69054 [0,0,0,1,0,0|2,0,1]=4 175 B7R1.3 CC1=CCCNC1 M12102 [0,0,0,1,0,0|2,0,1]=4 176 B7R1.3 CC1=CCNCC1 M26826 [0,0,0,1,0,0|2,0,1]=4 177 B7R1.3 CC1SCCCS1 M63108 [0,0,0,1,0,0|3,0,0]=4 178 B7R1.3 C[C@@H]1CCCNC1 M43474 [0,0,0,1,0,0|1,0,1]=3 179 B7R1.3 C[C@@H]1CNCCN1 M10716 [0,0,0,1,0,0|2,0,1]=4 180 B7R1.3 C[C@@H]1CNCCO1 M15403 [0,0,0,1,0,0|2,0,1]=4 181 B7R1.3 C[C@@H]1CNCCO1 M28760 [0,0,0,1,0,0|2,0,1]=4 182 B7R1.3 C[C@@H]1COCCN1 M26868 [0,0,0,1,0,0|1,0,2]=4 183 B7R1.3 C[C@@H]1COCCN1 M9009 [0,0,0,1,0,0|1,0,2]=4 184 B7R1.3 C[C@H]1CCCCN1 M43475 [0,0,0,1,0,0|2,0,0]=3 185 B7R1.3 C[C@H]1CNCCN1 M10717 [0,0,0,1,0,0|2,0,1]=4 186 B7R1.3 C[C@H]1CNCCO1 M15401 [0,0,0,1,0,0|2,0,1]=4 187 B7R1.3 C[C@H]1CNCCO1 M15402 [0,0,0,1,0,0|2,0,1]=4 188 B7R1.3 C[C@H]1CNCCO1 M29509 [0,0,0,1,0,0|2,0,1]=4 189 B7R1.3 C[C@H]1CNCCO1 M41323 [0,0,0,1,0,0|2,0,1]=4 190 B7R1.3 C[C@H]1COCCN1 M23631 [0,0,0,1,0,0|1,0,2]=4 191 B7R1.3 C[C@H]1COCCN1 M41324 [0,0,0,1,0,0|1,0,2]=4 192 B7R1.3 C[C@H]1COCCN1 M8924 [0,0,0,1,0,0|1,0,2]=4 193 B7R1.3 F[C@@H]1CCCNC1 F7495 [0,0,0,1,0,0|2,0,1]=4 194 B7R1.3 F[C@H]1CCCNC1 F1651 [0,0,0,1,0,0|2,0,1]=4 195 B7R1.3 F[C@H]1CCCNC1 F7461 [0,0,0,1,0,0|2,0,1]=4 196 B7R1.3 NC1CCCCC1 C39283 [0,0,0,1,0,0|2,0,1]=4 197 B7R1.3 N[C@@H]1CCCNC1 A10836 [0,0,0,1,0,0|2,0,1]=4 198 B7R1.3 N[C@@H]1CCCNC1 P32424 [0,0,0,1,0,0|2,0,1]=4 199 B7R1.3 N[C@@H]1CCCOC1 X18615 [0,0,0,1,0,0|1,0,2]=4 200 B7R1.3 N[C@H]1CCCNC1 P41385 [0,0,0,1,0,0|2,0,1]=4 201 B7R1.3 N[C@H]1CCCNC1 P67457 [0,0,0,1,0,0|2,0,1]=4 202 B7R1.3 N[C@H]1CCCOC1 T1132 [0,0,0,1,0,0|1,0,2]=4 203 B7R1.3 N[C@H]1CCCOC1 X17960 [0,0,0,1,0,0|1,0,2]=4 204 B7R1.3 O[C@@H]1CCCNC1 H12298 [0,0,0,1,0,0|2,0,1]=4 205 B7R1.3 O[C@@H]1CCCNC1 H1652 [0,0,0,1,0,0|2,0,1]=4 206 B7R1.3 O[C@@H]1CCCOC1 T15984 [0,0,0,1,0,0|1,0,2]=4 207 B7R1.3 O[C@H]1CCCNC1 H0276 [0,0,0,1,0,0|2,0,1]=4 208 B7R1.3 O[C@H]1CCCNC1 H10264 [0,0,0,1,0,0|2,0,1]=4 209 B7R1.3 O[C@H]1CCCNC1 H10265 [0,0,0,1,0,0|2,0,1]=4 210 B7R1.3 O[C@H]1CCCNC1 H4736 [0,0,0,1,0,0|2,0,1]=4 211 B7R1.3 O[C@H]1CCCOC1 H11398 [0,0,0,1,0,0|1,0,2]=4 212 B7R1.3 O[C@H]1CCCOC1 T25087 [0,0,0,1,0,0|1,0,2]=4 213 B7R1.3 S[C@H]1CCCNC1 P15399 [0,0,0,1,0,0|2,0,1]=4 214 B7R1.3 [Mg+]C1CCCCC1 C31701 [0,0,0,1,0,0|2,0,1]=4 215 B7R1.4 BrC1=C(Br)CCC1 D68539 [0,0,0,1,0,0|2,0,1]=4 216 B7R1.4 CN1CCCC1=S M6872 [0,0,0,1,0,0|1,1,0]=3 217 B7R1.4 CN1CCN=C1N M40301 [0,0,0,1,0,0|3,0,0]=4 218 B7R1.4 CN1CCNC1=O M40241 [0,0,0,1,0,0|2,0,0]=3 219 B7R1.4 CN1N=CCC1=O M40183 [0,0,0,1,0,0|2,0,1]=4 220 B7R1.4 C[C@@H]1CNC[C@@H]1O M22730 [0,0,0,1,0,0|1,0,2]=4 221 B7R1.4 C[C@@H]1COC[C@H]1N F30099 [0,0,0,1,0,0|2,0,1]=4 222 B7R1.4 C[C@@H]1OCCC1=O M41223 [0,0,0,1,0,0|1,0,0]=2 223 B7R1.4 C[C@H]1CCCC1=O M41458 [0,0,0,1,0,0|0,0,0]=1 224 B7R1.4 C[C@H]1CCNC1=O M41257 [0,0,0,1,0,0|1,0,0]=2 225 B7R1.4 C[C@H]1CCOC1=O M41224 [0,0,0,1,0,0|1,0,0]=2 226 B7R1.4 NC1CCCC1O A40401 [0,0,0,1,0,0|1,0,2]=4 227 B7R1.4 NN1CCCC1=O A22230 [0,0,0,1,0,0|2,0,0]=3 228 B7R1.4 N[C@@H]1CCC[C@@H]1O A67556 [0,0,0,1,0,0|1,0,2]=4 229 B7R1.4 N[C@@H]1CCC[C@H]1F F59997 [0,0,0,1,0,0|2,0,1]=4 230 B7R1.4 N[C@@H]1CCC[C@H]1N C41387 [0,0,0,1,0,0|2,0,1]=4 231 B7R1.4 N[C@@H]1CCC[C@H]1O A27146 [0,0,0,1,0,0|1,0,2]=4 232 B7R1.4 N[C@@H]1CCC[C@H]1O A40405 [0,0,0,1,0,0|1,0,2]=4 233 B7R1.4 N[C@@H]1CCC[C@H]1O A41326 [0,0,0,1,0,0|1,0,2]=4 234 B7R1.4 N[C@@H]1CCNC1=O A40242 [0,0,0,1,0,0|2,0,0]=3 235 B7R1.4 N[C@@H]1CCNC1=O A62971 [0,0,0,1,0,0|2,0,0]=3 236 B7R1.4 N[C@@H]1CCOC1=O H68344 [0,0,0,1,0,0|2,0,0]=3 237 B7R1.4 N[C@H]1CCC[C@@H]1O A24888 [0,0,0,1,0,0|1,0,2]=4 238 B7R1.4 N[C@H]1CCC[C@H]1O A41327 [0,0,0,1,0,0|1,0,2]=4 239 B7R1.4 N[C@H]1CCNC1=O A24294 [0,0,0,1,0,0|2,0,0]=3 240 B7R1.4 N[C@H]1CCOC1=O A40300 [0,0,0,1,0,0|2,0,0]=3 241 B7R1.4 N[C@H]1CCOC1=O A40335 [0,0,0,1,0,0|2,0,0]=3 242 B7R1.4 O=C1CCC=C1Br B3409 [0,0,0,1,0,0|1,0,2]=4 243 B7R1.4 O=C1CCC=C1O H41119 [0,0,0,1,0,0|1,0,2]=4 244 B7R1.4 O=C1NCC[C@@H]1O H20173 [0,0,0,1,0,0|2,0,0]=3 245 B7R1.4 O=C1NCC[C@@H]1O H37914 [0,0,0,1,0,0|2,0,0]=3 246 B7R1.4 O=C1NCC[C@H]1O H40227 [0,0,0,1,0,0|2,0,0]=3 247 B7R1.4 O=C1OCC[C@@H]1Br B31114 [0,0,0,1,0,0|2,0,0]=3 248 B7R1.4 O[C@@H]1CCC[C@H]1O C67710 [0,0,0,1,0,0|1,0,2]=4 249 B7R1.5 CCC[C@@H]1ON1C M65450 [0,0,0,1,0,0|3,0,0]=4 250 B7R1.6 CCNC1COC1 E8452 [0,0,0,1,0,0|1,0,2]=4 251 B7R1.6 CCOC1CNC1 E41322 [0,0,0,1,0,0|2,0,1]=4 252 B7R1.6 CNCC1COC1 M8438 [0,0,0,1,0,0|1,0,2]=4 253 B7R1.6 COCC1CNC1 A0186 [0,0,0,1,0,0|2,0,1]=4 254 B7R1.6 COCC1CNC1 M1326 [0,0,0,1,0,0|2,0,1]=4 255 B7R1.6 COC[C@@H]1CCN1 M11645 [0,0,0,1,0,0|3,0,0]=4 256 B7R1.6 COC[C@@H]1CCN1 M20218 [0,0,0,1,0,0|3,0,0]=4 257 B7R1.6 COC[C@H]1CCN1 M11646 [0,0,0,1,0,0|3,0,0]=4 258 B7R1.6 COC[C@H]1CCN1 M14791 [0,0,0,1,0,0|3,0,0]=4 259 B7R1.6 NCCC1CCC1 C15341 [0,0,0,1,0,0|2,0,1]=4 260 B7R1.6 OCCC1COC1 X6653 [0,0,0,1,0,0|1,0,2]=4 261 B7R1.6 OCC[C@H]1CCO1 X59677 [0,0,0,1,0,0|3,0,0]=4 262 B7R1.10 CN1CC(CN)C1 M7239 [0,0,0,1,0,0|2,0,1]=4 263 B7R1.10 CNC1CC(O)C1 M10596 [0,0,0,1,0,0|3,0,0]=4 264 B7R1.10 CNC1CN(C)C1 D11649 [0,0,0,1,0,0|3,0,0]=4 265 B7R1.10 CNC1CN(C)C1 D1346 [0,0,0,1,0,0|3,0,0]=4 266 B7R1.10 CN[C@H]1C[C@@H](O)C1 M27665 [0,0,0,1,0,0|3,0,0]=4 267 B7R1.10 CN[C@H]1C[C@H](O)C1 M14921 [0,0,0,1,0,0|3,0,0]=4 268 B7R1.10 CN[C@H]1C[C@H](O)C1 M15745 [0,0,0,1,0,0|3,0,0]=4 269 B7R1.10 COC1CC(N)C1 M0320 [0,0,0,1,0,0|3,0,0]=4 270 B7R1.10 CO[C@H]1C[C@@H](N)C1 SB7404 [0,0,0,1,0,0|3,0,0]=4 271 B7R1.10 CO[C@H]1C[C@H](N)C1 SB7405 [0,0,0,1,0,0|3,0,0]=4 272 B7R1.10 N#CC1CC(F)C1 F20403 [0,0,0,1,0,0|2,0,1]=4 273 B7R1.10 N#CC1CC(N)C1 A10726 [0,0,0,1,0,0|2,0,1]=4 274 B7R1.10 N#CC1CC(O)C1 H22204 [0,0,0,1,0,0|2,0,1]=4 275 B7R1.10 N#C[C@H]1C[C@@H](O)C1 H7468 [0,0,0,1,0,0|2,0,1]=4 276 B7R1.10 N#C[C@H]1C[C@H](O)C1 H60435 [0,0,0,1,0,0|2,0,1]=4 277 B7R1.10 NC1CC(CO)C1 A0314 [0,0,0,1,0,0|1,0,2]=4 278 B7R1.10 NC1CC(CO)C1 A12367 [0,0,0,1,0,0|1,0,2]=4 279 B7R1.10 NCC1CC(O)C1 A12368 [0,0,0,1,0,0|2,0,1]=4 280 B7R1.10 NCC1CC(O)C1 A7528 [0,0,0,1,0,0|2,0,1]=4 281 B7R1.10 NC[C@H]1C[C@@H](F)C1 F14480 [0,0,0,1,0,0|2,0,1]=4 282 B7R1.10 NC[C@H]1C[C@@H](O)C1 A0603 [0,0,0,1,0,0|2,0,1]=4 283 B7R1.10 NC[C@H]1C[C@@H](O)C1 A7737 [0,0,0,1,0,0|2,0,1]=4 284 B7R1.10 NC[C@H]1C[C@H](F)C1 F11496 [0,0,0,1,0,0|2,0,1]=4 285 B7R1.10 NC[C@H]1C[C@H](O)C1 A0604 [0,0,0,1,0,0|2,0,1]=4 286 B7R1.10 NC[C@H]1C[C@H](O)C1 A10510 [0,0,0,1,0,0|2,0,1]=4 287 B7R1.10 N[C@H]1C[C@@H](CO)C1 A12639 [0,0,0,1,0,0|1,0,2]=4 288 B7R1.10 N[C@H]1C[C@@H](CO)C1 SB7650 [0,0,0,1,0,0|1,0,2]=4 289 B7R1.10 N[C@H]1C[C@H](CO)C1 A12640 [0,0,0,1,0,0|1,0,2]=4 290 B7R1.10 N[C@H]1C[C@H](CO)C1 SB7651 [0,0,0,1,0,0|1,0,2]=4 291 B7R1.10 OCC1CC(Cl)C1 C11852 [0,0,0,1,0,0|1,0,2]=4 292 B7R1.10 OCC1CC(F)C1 F31669 [0,0,0,1,0,0|1,0,2]=4 293 B7R1.10 OCC1CC(O)C1 H40382 [0,0,0,1,0,0|1,0,2]=4 294 B7R1.21 CC1(CCN)N=N1 M63685 [0,0,0,1,0,0|3,0,0]=4 295 B7R1.21 CC1(CCO)CC1 M22121 [0,0,0,1,0,0|2,0,1]=4 296 B7R1.21 CC1(CCO)N=N1 M32161 [0,0,0,1,0,0|3,0,0]=4 297 B7R1.22 CC[C@H](O)C1CC1 C29750 [0,0,0,1,0,0|2,0,1]=4 298 B7R1.25 C#CC1(C)COC1 E8355 [0,0,0,1,0,0|2,0,1]=4 299 B7R1.25 C=CC1(O)COC1 V13477 [0,0,0,1,0,0|3,0,0]=4 300 B7R1.25 CC1(C#N)CNC1 C7743 [0,0,0,1,0,0|2,0,1]=4 301 B7R1.25 CC1(C#N)COC1 M8305 [0,0,0,1,0,0|2,0,1]=4 302 B7R1.25 CC1(C=O)COC1 M6233 [0,0,0,1,0,0|1,0,0]=2 303 B7R1.25 CC1(CBr)COC1 B0548 [0,0,0,1,0,0|2,0,1]=4 304 B7R1.25 CC1(CCl)COC1 C8473 [0,0,0,1,0,0|2,0,1]=4 305 B7R1.25 CC1(CI)COC1 I1186 [0,0,0,1,0,0|2,0,1]=4 306 B7R1.25 CC1(CN)CCC1 M1145 [0,0,0,1,0,0|1,0,1]=3 307 B7R1.25 CC1(CN)CCC1 M14421 [0,0,0,1,0,0|1,0,1]=3 308 B7R1.25 CC1(CN)CNC1 M7823 [0,0,0,1,0,0|2,0,1]=4 309 B7R1.25 CC1(CN)COC1 A5692 [0,0,0,1,0,0|2,0,1]=4 310 B7R1.25 CC1(CO)CNC1 M29667 [0,0,0,1,0,0|1,0,2]=4 311 B7R1.25 CC1(CO)COC1 M6652 [0,0,0,1,0,0|1,0,2]=4 312 B7R1.25 CC1(CO)CSC1 M1298 [0,0,0,1,0,0|1,0,2]=4 313 B7R1.25 CC1(CS)COC1 M8472 [0,0,0,1,0,0|1,1,1]=4 314 B7R1.25 CNC1(C)COC1 D31259 [0,0,0,1,0,0|3,0,0]=4 315 B7R1.25 CNC1(C)COC1 D8492 [0,0,0,1,0,0|3,0,0]=4 316 B7R1.25 COC1(C)CNC1 M0268 [0,0,0,1,0,0|3,0,0]=4 317 B7R1.25 NC1(CO)CCC1 A10610 [0,0,0,1,0,0|1,0,2]=4 318 B7R1.25 NC1(CO)CCC1 A13167 [0,0,0,1,0,0|1,0,2]=4 319 B7R1.25 NCC1(F)CCC1 F19982 [0,0,0,1,0,0|2,0,1]=4 320 B7R1.25 NCC1(O)CCC1 A21927 [0,0,0,1,0,0|2,0,1]=4 321 B4R0.1 CC(=O)CN A38843 [2,0,0,0,0,0|1,0,1]=4 322 B4R0.1 CC(=O)CO H60801 [2,0,0,0,0,0|1,0,1]=4 323 B4R0.1 CC(C)=CBr B2881 [2,0,0,0,0,0|1,0,1]=4 324 B4R0.1 CC(C)NN P67395 [2,0,0,0,0,0|2,0,0]=4 325 B4R0.1 CC(C)NO P39934 [2,0,0,0,0,0|1,0,1]=4 326 B4R0.1 CC(C)ON P39935 [2,0,0,0,0,0|2,0,0]=4 327 B4R0.1 CCC(N)=O P68920 [2,0,0,0,0,0|1,0,1]=4 328 B4R0.1 CC[C@H](C)N B62608 [2,0,0,0,0,0|1,0,0]=3 329 B4R0.1 CC[S@](=O)[O-] S39781 [2,0,0,0,0,0|2,0,0]=4 330 B4R0.1 C[C@@H](Cl)CO C39879 [2,0,0,0,0,0|2,0,0]=4 331 B4R0.1 C[C@@H](N)CN D39937 [2,0,0,0,0,0|2,0,0]=4 332 B4R0.1 C[C@@H](N)CO A13415 [2,0,0,0,0,0|2,0,0]=4 333 B4R0.1 C[C@@H](O)CCl C67728 [2,0,0,0,0,0|1,0,1]=4 334 B4R0.1 C[C@@H](O)CN A67482 [2,0,0,0,0,0|1,0,1]=4 335 B4R0.1 C[C@H](Br)CN B39885 [2,0,0,0,0,0|2,0,0]=4 336 B4R0.1 C[C@H](Cl)CO C39880 [2,0,0,0,0,0|2,0,0]=4 337 B4R0.1 C[C@H](N)CF F62811 [2,0,0,0,0,0|2,0,0]=4 338 B4R0.1 C[C@H](N)CN P39936 [2,0,0,0,0,0|2,0,0]=4 339 B4R0.1 C[C@H](N)CO A13416 [2,0,0,0,0,0|2,0,0]=4 340 B4R0.1 C[C@H](N)CO A69136 [2,0,0,0,0,0|2,0,0]=4 341 B4R0.1 C[C@H](O)CN A69178 [2,0,0,0,0,0|1,0,1]=4 342 B4R0.1 C[C@H](O)CO P60705 [2,0,0,0,0,0|1,0,1]=4 343 B4R0.2 BrCCCBr D69412 [2,0,0,0,0,0|2,0,0]=4 344 B4R0.2 C=CCCN B21913 [2,0,0,0,0,0|1,0,1]=4 345 B4R0.2 C=CCCO B40252 [2,0,0,0,0,0|1,0,1]=4 346 B4R0.2 CCCNN P39906 [2,0,0,0,0,0|2,0,0]=4 347 B4R0.2 CNCCBr B38473 [2,0,0,0,0,0|2,0,0]=4 348 B4R0.2 CNCCCl C39886 [2,0,0,0,0,0|2,0,0]=4 349 B4R0.2 COCCBr B39138 [2,0,0,0,0,0|2,0,0]=4 350 B4R0.2 COCCI K39881 [2,0,0,0,0,0|2,0,0]=4 351 B4R0.2 CSCCN M62136 [2,0,0,0,0,0|2,0,0]=4 352 B4R0.2 ClCCCI C1367 [2,0,0,0,0,0|2,0,0]=4 353 B4R0.2 ICCCI D39865 [2,0,0,0,0,0|2,0,0]=4 354 B4R0.2 NCCCCl C37835 [2,0,0,0,0,0|2,0,0]=4 355 B4R0.2 NCCCO A69322 [2,0,0,0,0,0|1,0,1]=4 356 B4R0.2 OCCCBr B39137 [2,0,0,0,0,0|1,0,1]=4 357 B4R0.2 OCCCO P69117 [2,0,0,0,0,0|1,0,1]=4 358 B6R0.2 CC(=O)NC(C)C P40402 [1,1,0,0,0,0|1,0,1]=4 359 B6R0.2 CC(=O)O[C@H](C)Br B40231 [1,1,0,0,0,0|1,0,1]=4 360 B6R0.2 CC(C)C[C@H](C)N M43511 [1,1,0,0,0,0|0,0,1]=3 361 B6R0.2 CC(C)NC(C)C D64760 [1,1,0,0,0,0|1,0,1]=4 362 B6R0.2 C[C@@H](N)CC(=O)O A37837 [1,1,0,0,0,0|1,0,1]=4 363 B6R0.2 C[C@@H](N)CC(=O)O A40348 [1,1,0,0,0,0|1,0,1]=4 364 B6R0.2 C[C@@H](O)CC(=O)[O-] S37350 [1,1,0,0,0,0|1,0,1]=4 365 B6R0.2 C[C@@H](O)C[C@@H](C)O P40432 [1,1,0,0,0,0|0,0,1]=3 366 B6R0.2 C[C@H](N)CC(=O)O A40265 [1,1,0,0,0,0|1,0,1]=4 367 B6R0.2 C[C@H](O)CC(=O)O H38871 [1,1,0,0,0,0|1,0,1]=4 368 B6R0.2 C[C@H](O)CC(=O)[O-] S40298 [1,1,0,0,0,0|1,0,1]=4 369 B6R0.2 C[C@H](O)C[C@H](C)O P40433 [1,1,0,0,0,0|0,0,1]=3 370 B6R0.3 CC(C)[C@@H](N)CO V15808 [1,1,0,0,0,0|1,0,1]=4 371 B6R0.3 CC(C)[C@H](N)CO V40442 [1,1,0,0,0,0|1,0,1]=4 372 B6R0.3 CCN(C)C(C)=O E40404 [1,1,0,0,0,0|1,0,1]=4 373 B6R0.3 CC[C@@H](C)C(=O)O M40381 [1,1,0,0,0,0|1,0,1]=4 374 B6R0.3 CC[C@@H](N)C(N)=O A40305 [1,1,0,0,0,0|1,0,1]=4 375 B6R0.3 CC[C@H](N)C(=O)O A40349 [1,1,0,0,0,0|1,0,1]=4 376 B6R0.3 CC[C@H](N)C(=O)O A68376 [1,1,0,0,0,0|1,0,1]=4 377 B6R0.3 CC[C@H](N)C(N)=O A64477 [1,1,0,0,0,0|1,0,1]=4 378 B6R0.3 CC[C@H](O)C(=O)O H23105 [1,1,0,0,0,0|1,0,1]=4 379 B6R0.3 C[C@@H](O)[C@H](N)CO A68622 [1,1,0,0,0,0|1,0,1]=4 380 B6R0.3 C[C@H](O)[C@@H](N)CO T39965 [1,1,0,0,0,0|1,0,1]=4 381 B6R0.4 CC(=O)CCCCl C68599 [1,1,0,0,0,0|0,0,1]=3 382 B6R0.4 CC(=O)NCCN A68626 [1,1,0,0,0,0|1,0,1]=4 383 B6R0.4 CC(=O)NCCO H68625 [1,1,0,0,0,0|1,0,1]=4 384 B6R0.4 CC(=O)OCCBr B67892 [1,1,0,0,0,0|1,0,1]=4 385 B6R0.4 CC(C)CCCO M67872 [1,1,0,0,0,0|0,0,1]=3 386 B6R0.4 CC(C)NCCCl C40431 [1,1,0,0,0,0|1,0,1]=4 387 B6R0.4 CC(C)OCCBr B69154 [1,1,0,0,0,0|1,0,1]=4 388 B6R0.4 CCCCC(=O)[O-] S38573 [1,1,0,0,0,0|1,0,1]=4 389 B6R0.4 CCCOC(N)=O P40264 [1,1,0,0,0,0|1,0,1]=4 390 B6R0.4 CN(C)CCCBr B40430 [1,1,0,0,0,0|1,0,1]=4 391 B6R0.4 CN(C)CCCCl C69241 [1,1,0,0,0,0|1,0,1]=4 392 B6R0.4 CNCCC(=O)O M40350 [1,1,0,0,0,0|1,0,1]=4 393 B6R0.4 CNCCN(C)C T41392 [1,1,0,0,0,0|1,0,1]=4 394 B6R0.4 COCCC(=O)O M40255 [1,1,0,0,0,0|1,0,1]=4 395 B6R0.4 NCCCC(N)=O A40304 [1,1,0,0,0,0|1,0,1]=4 396 B6R0.4 O=C(O)CCCBr B39154 [1,1,0,0,0,0|1,0,1]=4 397 B6R0.4 O=C(O)CCCCl C40232 [1,1,0,0,0,0|1,0,1]=4 398 B6R0.5 CC(C)(C)CCBr B41571 [1,1,0,0,0,0|1,0,1]=4 399 B6R0.5 CC(C)(F)CCN F62077 [1,1,0,0,0,0|1,0,1]=4 400 B6R0.5 CC(C)(N)CCN M37075 [1,1,0,0,0,0|1,0,1]=4 401 B6R0.5 CC(C)(N)CCO A40444 [1,1,0,0,0,0|1,0,1]=4 402 B6R0.5 CC(C)(O)CCN A61563 [1,1,0,0,0,0|1,0,1]=4 403 B6R0.5 CCCS(N)(=O)=O P39891 [1,1,0,0,0,0|2,0,0]=4 404 B6R0.5 CCC[N+](C)(C)C T43586 [1,1,0,0,0,0|1,0,1]=4 405 B6R0.5 CNCC(C)(C)O M40445 [1,1,0,0,0,0|1,0,1]=4 406 B6R0.5 COCC(C)(C)O M40434 [1,1,0,0,0,0|1,0,1]=4 407 B6R0.5 CS(=O)(=O)CCBr M62603 [1,1,0,0,0,0|2,0,0]=4 408 B6R0.5 CS(=O)(=O)CCN M37292 [1,1,0,0,0,0|2,0,0]=4 409 B6R0.6 C#CCCCCI K43321 [1,1,0,0,0,0|1,0,1]=4 410 B6R0.6 C#CCCCCO H41456 [1,1,0,0,0,0|1,0,1]=4 411 B6R0.6 C=CCCCCBr B9212 [1,1,0,0,0,0|1,0,0]=3 412 B6R0.6 C=CCCCCO H41549 [1,1,0,0,0,0|1,0,0]=3 413 B6R0.6 C=CCCCC[Mg+] H5025 [1,1,0,0,0,0|1,0,0]=3 414 B6R0.6 CC=CCCCO H41548 [1,1,0,0,0,0|1,0,1]=4 415 B6R0.6 CCCCCC[Mg+] H31703 [1,1,0,0,0,0|1,0,1]=4 416 B6R0.6 CCCCCNC M41618 [1,1,0,0,0,0|1,0,1]=4 417 B6R0.6 CCCCN=[N+]=[N-] A1814 [1,1,0,0,0,0|2,0,0]=4 418 B6R0.6 CCC\C=C\CO H41550 [1,1,0,0,0,0|0,0,2]=4 419 B6R0.6 CCOCCC#N E41255 [1,1,0,0,0,0|1,0,1]=4 420 B6R0.6 CNCCCCBr B40429 [1,1,0,0,0,0|1,0,1]=4 421 B6R0.6 CNCCCCO M38840 [1,1,0,0,0,0|0,0,2]=4 422 B6R0.6 COCCCCBr B40422 [1,1,0,0,0,0|1,0,1]=4 423 B6R0.6 ClCCCCCBr B39164 [1,1,0,0,0,0|1,0,1]=4 424 B6R0.6 FCCCCCBr B37978 [1,1,0,0,0,0|1,0,1]=4 425 B6R0.6 ICCCCCI D24633 [1,1,0,0,0,0|1,0,1]=4 426 B6R0.6 N#CCCCCBr B41217 [1,1,0,0,0,0|1,0,1]=4 427 B6R0.6 N#CCCCCCl C69554 [1,1,0,0,0,0|1,0,1]=4 428 B6R0.6 N#CCCCCN A6983 [1,1,0,0,0,0|1,0,1]=4 429 B6R0.6 O=CCCCCCl C41277 [1,1,0,0,0,0|0,0,0]=2 430 B6R0.6 O=CCCCCO H32202 [1,1,0,0,0,0|0,0,0]=2 431 B6R0.8 C#C[C@@](C)(N)CC M43435 [1,1,0,0,0,0|1,0,1]=4 432 B6R0.8 CC[C@](C)(N)C#N A40368 [1,1,0,0,0,0|1,0,1]=4 433 B6R0.8 O=CC(Br)(Br)CBr T32084 [1,1,0,0,0,0|2,0,0]=4 434 B6R0.9 CCC(CC)C[Mg+] E31704 [1,1,0,0,0,0|1,0,1]=4 435 B6R0.9 CCN(C=O)CC D68184 [1,1,0,0,0,0|1,0,0]=3 436 B6R0.9 COC(C=O)OC D38564 [1,1,0,0,0,0|1,0,0]=3 437 B8R0.2 COC(=O)[C@@H](C)C(=O)O M38995 [0,2,0,0,0,0|1,0,1]=4 438 B8R0.2 COC(=O)[C@@H](C)C(C)=O M65039 [0,2,0,0,0,0|1,0,1]=4 439 B8R0.2 CO[C@@H](C)[C@@H](N)C(=O)O A61564 [0,2,0,0,0,0|2,0,0]=4 440 B8R0.2 CO[C@H](C)[C@H](N)C(=O)O A68038 [0,2,0,0,0,0|2,0,0]=4 441 B8R0.5 CCC[C@H](N)CC(=O)O A43488 [0,2,0,0,0,0|1,0,0]=3 442 B8R0.5 CCC\C(C)=C\C(=O)O M62391 [0,2,0,0,0,0|0,0,1]=3 443 B8R0.23 CC(=O)C[C@H](C)C(=O)O M14719 [0,2,0,0,0,0|0,0,1]=3 444 B8R0.23 CC(=O)N[C@H](C)C(=O)O A68583 [0,2,0,0,0,0|1,0,1]=4 445 B8R0.23 CC(=O)O[C@@H](C)C(=O)O A64092 [0,2,0,0,0,0|1,0,1]=4 446 B8R0.23 CC(=O)O[C@H](C)C(=O)O A64091 [0,2,0,0,0,0|1,0,1]=4 447 B8R0.23 CC(C)C[C@@H](N)C(=O)O L64923 [0,2,0,0,0,0|1,0,0]=3 448 B8R0.23 CC(C)C[C@@H](O)C(=O)O H41559 [0,2,0,0,0,0|1,0,0]=3 449 B8R0.23 CC(C)C[C@H](Br)C(=O)O B41525 [0,2,0,0,0,0|1,0,0]=3 450 B8R0.23 CC(C)C[C@H](Br)C(=O)O B41526 [0,2,0,0,0,0|1,0,0]=3 451 B8R0.23 CC(C)C[C@H](O)C(=O)O H37072 [0,2,0,0,0,0|1,0,0]=3 452 B8R0.23 C[C@@H](CC(=O)O)C(=O)O M41232 [0,2,0,0,0,0|1,0,1]=4 453 B8R0.23 C[C@@H](CN(C)C)[N+](=O)[O-] D65436 [0,2,0,0,0,0|2,0,0]=4 454 B8R0.3 CCC[C@@H](N)C(=O)OC M66692 [0,2,0,0,0,0|1,0,0]=3 455 B8R0.3 CCC[C@H](N)C(=O)OC M43489 [0,2,0,0,0,0|1,0,0]=3 456 B8R0.3 CCN[C@@H](C)C(=O)OC M32327 [0,2,0,0,0,0|1,0,0]=3 457 B8R0.3 COC[C@@H](N)C(=O)OC M38225 [0,2,0,0,0,0|2,0,0]=4 458 B8R0.8 C=CCC[C@H](N)C(=O)O A41502 [0,2,0,0,0,0|1,0,1]=4 459 B8R0.8 CC#CC[C@H](N)C(=O)O A32035 [0,2,0,0,0,0|1,0,1]=4 460 B8R0.8 CCCC[C@H](N)C(=O)O A68582 [0,2,0,0,0,0|1,0,0]=3 461 B8R0.8 CSCCC(O)C(=O)[O-] C54080 [0,2,0,0,0,0|1,0,0]=3 462 B8R0.8 CSCC[C@H](N)C(=O)O M60616 [0,2,0,0,0,0|1,0,0]=3 463 B8R0.11 CCCC[C@H](CC)CBr E67613 [0,2,0,0,0,0|1,0,1]=4 464 B8R0.11 CCCC[C@H](CC)CO E60781 [0,2,0,0,0,0|0,0,2]=4 465 B8R0.11 CCCC[C@H](CC)C[Mg+] E31710 [0,2,0,0,0,0|1,0,1]=4 466 B8R0.11 COC(CCCCl)OC C41597 [0,2,0,0,0,0|2,0,0]=4 467 B8R0.12 C=CCC(C)(C)C(=O)O D38170 [0,2,0,0,0,0|0,0,2]=4 468 B8R0.22 CCCN(C=O)CCC D43905 [0,2,0,0,0,0|1,0,0]=3 469 B8R0.13 COC(=O)C(C)(C)C=O M41471 [0,2,0,0,0,0|1,0,1]=4 470 B6R1.2 Br[C@H]1CCNC1 B40246 [1,0,0,1,0,0|2,0,0]=4 471 B6R1.2 Br[C@H]1CCOC1 B0393 [1,0,0,1,0,0|2,0,0]=4 472 B6R1.2 CC1=NCCC1 M41239 [1,0,0,1,0,0|1,0,1]=4 473 B6R1.2 C[C@@H]1CCCN1 M23610 [1,0,0,1,0,0|1,0,0]=3 474 B6R1.2 C[C@@H]1CCNC1 M22540 [1,0,0,1,0,0|1,0,1]=4 475 B6R1.2 C[C@H]1CCCN1 M21836 [1,0,0,1,0,0|1,0,0]=3 476 B6R1.2 C[C@H]1CCCN1 M24199 [1,0,0,1,0,0|1,0,0]=3 477 B6R1.2 C[C@H]1CCCN1 M24435 [1,0,0,1,0,0|1,0,0]=3 478 B6R1.2 C[C@H]1CCNC1 M22012 [1,0,0,1,0,0|1,0,1]=4 479 B6R1.2 C[C@H]1CCNC1 M69520 [1,0,0,1,0,0|1,0,1]=4 480 B6R1.2 F[C@@H]1CCNC1 F7494 [1,0,0,1,0,0|2,0,0]=4 481 B6R1.2 F[C@H]1CCNC1 F0136 [1,0,0,1,0,0|2,0,0]=4 482 B6R1.2 F[C@H]1CCNC1 F7493 [1,0,0,1,0,0|2,0,0]=4 483 B6R1.2 IC1CCCC1 I20419 [1,0,0,1,0,0|1,0,0]=3 484 B6R1.2 I[C@@H]1CCOC1 I1538 [1,0,0,1,0,0|2,0,0]=4 485 B6R1.2 I[C@H]1CCOC1 I0392 [1,0,0,1,0,0|2,0,0]=4 486 B6R1.2 I[C@H]1CCOC1 I1672 [1,0,0,1,0,0|2,0,0]=4 487 B6R1.2 N[C@@H]1CCNC1 P16877 [1,0,0,1,0,0|2,0,0]=4 488 B6R1.2 N[C@@H]1CCNC1 P16878 [1,0,0,1,0,0|2,0,0]=4 489 B6R1.2 N[C@@H]1CCOC1 A7431 [1,0,0,1,0,0|2,0,0]=4 490 B6R1.2 N[C@@H]1CCOC1 X16388 [1,0,0,1,0,0|2,0,0]=4 491 B6R1.2 N[C@H]1CCNC1 P16879 [1,0,0,1,0,0|2,0,0]=4 492 B6R1.2 N[C@H]1CCNC1 P68854 [1,0,0,1,0,0|2,0,0]=4 493 B6R1.2 N[C@H]1CCOC1 A0023 [1,0,0,1,0,0|2,0,0]=4 494 B6R1.2 N[C@H]1CCOC1 A7432 [1,0,0,1,0,0|2,0,0]=4 495 B6R1.2 N[C@H]1CCOC1 T40344 [1,0,0,1,0,0|2,0,0]=4 496 B6R1.2 N[C@H]1CCOC1 X22238 [1,0,0,1,0,0|2,0,0]=4 497 B6R1.2 O=C1CCNC1 P0198 [1,0,0,1,0,0|1,0,1]=4 498 B6R1.2 O=C1CCOC1 X0391 [1,0,0,1,0,0|1,0,1]=4 499 B6R1.2 O=C1CCSC1 D10906 [1,0,0,1,0,0|1,0,1]=4 500 B6R1.2 O[C@@H]1CCNC1 H7458 [1,0,0,1,0,0|1,0,1]=4 501 B6R1.2 O[C@@H]1CCNC1 P4643 [1,0,0,1,0,0|1,0,1]=4 502 B6R1.2 O[C@@H]1CCOC1 H7563 [1,0,0,1,0,0|1,0,1]=4 503 B6R1.2 O[C@H]1CCNC1 H0275 [1,0,0,1,0,0|1,0,1]=4 504 B6R1.2 O[C@H]1CCNC1 H7496 [1,0,0,1,0,0|1,0,1]=4 505 B6R1.2 O[C@H]1CCNC1 P0679 [1,0,0,1,0,0|1,0,1]=4 506 B6R1.2 O[C@H]1CCOC1 H0466 [1,0,0,1,0,0|1,0,1]=4 507 B6R1.2 O[C@H]1CCOC1 H10322 [1,0,0,1,0,0|1,0,1]=4 508 B6R1.2 [Mg+][C@H]1CCOC1 T2962 [1,0,0,1,0,0|2,0,0]=4 509 B6R1.3 CNCC1CC1 C25333 [1,0,0,1,0,0|1,0,1]=4 510 B6R1.3 ICCC1CC1 I23113 [1,0,0,1,0,0|1,0,1]=4 511 B6R1.3 NCCC1CC1 C7864 [1,0,0,1,0,0|1,0,1]=4 512 B6R1.3 OCCC1CC1 C7861 [1,0,0,1,0,0|1,0,1]=4 513 B6R1.5 CC1CC(=O)C1 M17286 [1,0,0,1,0,0|0,0,1]=3 514 B6R1.5 CC1CC(N)C1 M41317 [1,0,0,1,0,0|1,0,0]=3 515 B6R1.5 CN1CC(N)C1 M0108 [1,0,0,1,0,0|2,0,0]=4 516 B6R1.5 CN1CC(O)C1 H0109 [1,0,0,1,0,0|1,0,1]=4 517 B6R1.5 NC1CC(=O)C1 A0660 [1,0,0,1,0,0|1,0,1]=4 518 B6R1.5 NC1CC(F)C1 F0321 [1,0,0,1,0,0|2,0,0]=4 519 B6R1.5 NC1CC(N)C1 C11439 [1,0,0,1,0,0|2,0,0]=4 520 B6R1.5 NC1CC(O)C1 A0319 [1,0,0,1,0,0|1,0,1]=4 521 B6R1.5 NC1CC(O)C1 A23779 [1,0,0,1,0,0|1,0,1]=4 522 B6R1.5 N[C@H]1C[C@@H](F)C1 F11662 [1,0,0,1,0,0|2,0,0]=4 523 B6R1.5 N[C@H]1C[C@@H](N)C1 C11440 [1,0,0,1,0,0|2,0,0]=4 524 B6R1.5 N[C@H]1C[C@@H](N)C1 C14367 [1,0,0,1,0,0|2,0,0]=4 525 B6R1.5 N[C@H]1C[C@@H](O)C1 A0711 [1,0,0,1,0,0|1,0,1]=4 526 B6R1.5 N[C@H]1C[C@@H](O)C1 A15550 [1,0,0,1,0,0|1,0,1]=4 527 B6R1.5 N[C@H]1C[C@H](F)C1 F11661 [1,0,0,1,0,0|2,0,0]=4 528 B6R1.5 N[C@H]1C[C@H](F)C1 F14834 [1,0,0,1,0,0|2,0,0]=4 529 B6R1.5 N[C@H]1C[C@H](N)C1 C11441 [1,0,0,1,0,0|2,0,0]=4 530 B6R1.5 N[C@H]1C[C@H](N)C1 C11442 [1,0,0,1,0,0|2,0,0]=4 531 B6R1.5 N[C@H]1C[C@H](O)C1 A0712 [1,0,0,1,0,0|1,0,1]=4 532 B6R1.5 N[C@H]1C[C@H](O)C1 SB8170 [1,0,0,1,0,0|1,0,1]=4 533 B6R1.5 O=C1CC(Br)C1 B8012 [1,0,0,1,0,0|1,0,1]=4 534 B6R1.5 O=C1CC(F)C1 F13109 [1,0,0,1,0,0|1,0,1]=4 535 B6R1.5 O=C1CC(O)C1 H10121 [1,0,0,1,0,0|1,0,1]=4 536 B6R1.5 OC1CC(F)C1 F13605 [1,0,0,1,0,0|1,0,1]=4 537 B6R1.5 O[C@H]1C[C@@H](F)C1 F14837 [1,0,0,1,0,0|1,0,1]=4 538 B6R1.5 O[C@H]1C[C@H](F)C1 F11668 [1,0,0,1,0,0|1,0,1]=4 539 B6R1.9 CC1(C)C[C@@H]1Br B60254 [1,0,0,1,0,0|1,0,1]=4 540 B6R1.10 CC1(C)CNC1 D11454 [1,0,0,1,0,0|1,0,1]=4 541 B6R1.10 CC1(F)CNC1 F11719 [1,0,0,1,0,0|2,0,0]=4 542 B6R1.10 CC1(N)CCC1 M15665 [1,0,0,1,0,0|1,0,0]=3 543 B6R1.10 CC1(N)CCC1 M15666 [1,0,0,1,0,0|1,0,0]=3 544 B6R1.10 CC1(N)CCC1 M6467 [1,0,0,1,0,0|1,0,0]=3 545 B6R1.10 CC1(N)CNC1 A10361 [1,0,0,1,0,0|2,0,0]=4 546 B6R1.10 CC1(N)COC1 M5614 [1,0,0,1,0,0|2,0,0]=4 547 B6R1.10 CC1(N)COC1 M7167 [1,0,0,1,0,0|2,0,0]=4 548 B6R1.10 CC1(N)CSC1 M30085 [1,0,0,1,0,0|2,0,0]=4 549 B6R1.10 CC1(O)CNC1 H0307 [1,0,0,1,0,0|1,0,1]=4 550 B6R1.10 CC1(O)COC1 M6651 [1,0,0,1,0,0|1,0,1]=4 551 B6R1.10 CC1(O)CSC1 M29793 [1,0,0,1,0,0|1,0,1]=4 552 B6R1.10 O=S1(=O)CCC1 T5974 [1,0,0,1,0,0|2,0,0]=4 553 B6R1.11 C[C@@H](N)C1CC1 C61147 [1,0,0,1,0,0|1,0,0]=3 554 B6R1.11 C[C@H](N)C1CC1 C41318 [1,0,0,1,0,0|1,0,0]=3 555 B6R1.11 O=C(O)C1CC1 C69104 [1,0,0,1,0,0|1,0,1]=4 556 B6R1.1 C1=CCNCC1 T0540 [1,0,0,1,0,0|2,0,0]=4 557 B6R1.1 C1=CCOCC1 D10810 [1,0,0,1,0,0|2,0,0]=4 558 B6R1.1 C1CCNCC1 P67647 [1,0,0,1,0,0|1,0,1]=4 559 B6R1.1 C1CCNNC1 H8288 [1,0,0,1,0,0|2,0,0]=4 560 B6R1.1 C1CCONC1 X13780 [1,0,0,1,0,0|1,0,1]=4 561 B6R1.1 C1CCONC1 X40342 [1,0,0,1,0,0|1,0,1]=4 562 B6R1.4 C[C@@H]1OCC1=O M61882 [1,0,0,1,0,0|1,0,0]=3 563 B6R1.4 C[C@H]1COC1=O M6342 [1,0,0,1,0,0|1,0,0]=3 564 B6R1.4 N[C@@H]1CNC1=O A60450 [1,0,0,1,0,0|2,0,0]=4 565 B6R1.4 N[C@H]1CNC1=O A39918 [1,0,0,1,0,0|2,0,0]=4 566 B6R1.6 ICC1CCC1 I29708 [1,0,0,1,0,0|1,0,1]=4 567 B6R1.6 N#CC1CCC1 C5653 [1,0,0,1,0,0|1,0,1]=4 568 B6R1.6 NCC1CCC1 C0310 [1,0,0,1,0,0|1,0,1]=4 569 B6R1.6 NCC1CCC1 C1144 [1,0,0,1,0,0|1,0,1]=4 570 B6R1.6 NNC1CCC1 C37776 [1,0,0,1,0,0|2,0,0]=4 571 B6R1.6 OCC1CCC1 C67424 [1,0,0,1,0,0|0,0,2]=4 572 B6R1.6 [Mg+]CC1CCC1 C5036 [1,0,0,1,0,0|1,0,1]=4 573 B6R1.7 CC1(CN)CC1 M41319 [1,0,0,1,0,0|1,0,1]=4 574 B6R1.7 CC1(CO)CC1 M29792 [1,0,0,1,0,0|0,0,2]=4 575 B8R1.1 CN1CC[C@@H](CN)C1 M13066 [0,1,0,1,0,0|1,0,1]=4 576 B8R1.1 CN1CC[C@@H](CN)C1 M30093 [0,1,0,1,0,0|1,0,1]=4 577 B8R1.1 CN1CC[C@@H](CO)C1 H7261 [0,1,0,1,0,0|0,0,2]=4 578 B8R1.1 CN1CC[C@H](CN)C1 M13065 [0,1,0,1,0,0|1,0,1]=4 579 B8R1.1 CN1CC[C@H](CO)C1 H7260 [0,1,0,1,0,0|0,0,2]=4 580 B8R1.1 CN[C@@H]1CCN(C)C1 D25425 [0,1,0,1,0,0|2,0,0]=4 581 B8R1.1 CN[C@H]1CCN(C)C1 D1341 [0,1,0,1,0,0|2,0,0]=4 582 B8R1.1 CN[C@H]1CCN(C)C1 D25424 [0,1,0,1,0,0|2,0,0]=4 583 B8R1.1 CN[C@H]1CCN(C)C1 T24682 [0,1,0,1,0,0|2,0,0]=4 584 B8R1.1 COC1CCC(N)C1 M27196 [0,1,0,1,0,0|2,0,0]=4 585 B8R1.1 N[C@H]1C=C[C@@H](CO)C1 A43437 [0,1,0,1,0,0|2,0,0]=4 586 B8R1.4 CC1CC(N)CCO1 M26284 [0,1,0,1,0,0|2,0,0]=4 587 B8R1.4 CC1CC(O)CCN1 M11589 [0,1,0,1,0,0|2,0,0]=4 588 B8R1.4 CC1CC(O)CCO1 M14345 [0,1,0,1,0,0|2,0,0]=4 589 B8R1.4 CC1CNCC(C)C1 D39299 [0,1,0,1,0,0|1,0,1]=4 590 B8R1.4 CN1CCCC(=O)C1 M13651 [0,1,0,1,0,0|1,0,0]=3 591 B8R1.4 CN1CCNC(=O)C1 M6975 [0,1,0,1,0,0|2,0,0]=4 592 B8R1.4 CN1CCOC(=O)C1 M41260 [0,1,0,1,0,0|2,0,0]=4 593 B8R1.4 C[C@@H]1CC(=O)CCN1 M10735 [0,1,0,1,0,0|1,0,0]=3 594 B8R1.4 C[C@@H]1CC(=O)CCO1 M11329 [0,1,0,1,0,0|1,0,0]=3 595 B8R1.4 C[C@@H]1CNCC(=O)N1 M13313 [0,1,0,1,0,0|1,0,0]=3 596 B8R1.4 C[C@@H]1COCC(=O)N1 M17373 [0,1,0,1,0,0|1,0,0]=3 597 B8R1.4 C[C@@H]1C[C@H](O)CCN1 M31245 [0,1,0,1,0,0|2,0,0]=4 598 B8R1.4 C[C@H]1CC(=O)CCN1 M10734 [0,1,0,1,0,0|1,0,0]=3 599 B8R1.4 C[C@H]1CC(=O)CCN1 M19737 [0,1,0,1,0,0|1,0,0]=3 600 B8R1.4 C[C@H]1CC(=O)CCN1 M8156 [0,1,0,1,0,0|1,0,0]=3 601 B8R1.4 C[C@H]1CC(=O)CCO1 M11328 [0,1,0,1,0,0|1,0,0]=3 602 B8R1.4 C[C@H]1CC(=O)CCO1 M14197 [0,1,0,1,0,0|1,0,0]=3 603 B8R1.4 C[C@H]1CCCC(=O)N1 M23832 [0,1,0,1,0,0|0,0,0]=2 604 B8R1.4 C[C@H]1CCNC(=O)C1 M23793 [0,1,0,1,0,0|1,0,0]=3 605 B8R1.4 C[C@H]1CNCC(=O)N1 M11164 [0,1,0,1,0,0|1,0,0]=3 606 B8R1.4 C[C@H]1C[C@@H](O)CCN1 M11590 [0,1,0,1,0,0|2,0,0]=4 607 B8R1.4 C[C@H]1C[C@@H](O)CCN1 M8079 [0,1,0,1,0,0|2,0,0]=4 608 B8R1.4 NC1=CC(=O)CCC1 A9456 [0,1,0,1,0,0|1,0,1]=4 609 B8R1.4 N[C@H]1CCNC(=O)C1 A0054 [0,1,0,1,0,0|2,0,0]=4 610 B8R1.4 N[C@H]1CCNC(=O)C1 A37105 [0,1,0,1,0,0|2,0,0]=4 611 B8R1.4 O=C1CCCC(=O)C1 C38740 [0,1,0,1,0,0|1,0,1]=4 612 B8R1.4 O=C1CCCC(=O)N1 P69653 [0,1,0,1,0,0|1,0,1]=4 613 B8R1.4 O=C1C[C@@H](O)CCN1 H38902 [0,1,0,1,0,0|2,0,0]=4 614 B8R1.4 O=C1C[C@@H](O)CCN1 H41262 [0,1,0,1,0,0|2,0,0]=4 615 B8R1.18 CC1=CC(=O)[C@H](C)O1 D43303 [0,1,0,1,0,0|1,0,1]=4 616 B8R1.18 CN1C[C@@H](N)CC1=O A14746 [0,1,0,1,0,0|1,0,0]=3 617 B8R1.18 C[C@H]1CC(=O)OC1=O M41122 [0,1,0,1,0,0|1,0,1]=4 618 B8R1.43 N#CC1CC1C(=O)O C24298 [0,1,0,1,0,0|1,0,1]=4 619 B8R1.43 N#C[C@@H]1C[C@H]1C(=O)O C23494 [0,1,0,1,0,0|1,0,1]=4 620 B8R1.43 N#C[C@H]1C[C@H]1C(=O)O C25179 [0,1,0,1,0,0|1,0,1]=4 621 B8R1.53 CC1(C)CC(CBr)C1 B13466 [0,1,0,1,0,0|1,0,1]=4 622 B8R1.53 CC1(C)CC(CN)C1 D13464 [0,1,0,1,0,0|1,0,1]=4 623 B8R1.53 CC1(C)CC(CO)C1 D13465 [0,1,0,1,0,0|0,0,2]=4 624 B8R1.53 CC1(O)CC(CN)C1 H14859 [0,1,0,1,0,0|1,0,1]=4 625 B8R1.53 C[C@]1(O)C[C@@H](CN)C1 H27658 [0,1,0,1,0,0|1,0,1]=4 626 B8R1.53 C[C@]1(O)C[C@H](CN)C1 H11685 [0,1,0,1,0,0|1,0,1]=4 627 B8R1.53 C[C@]1(O)C[C@H](CN)C1 H31870 [0,1,0,1,0,0|1,0,1]=4 628 B8R1.2 BrCC1=CCCCC1 B10308 [0,1,0,1,0,0|1,0,1]=4 629 B8R1.2 BrCC1CCCCC1 B43832 [0,1,0,1,0,0|1,0,1]=4 630 B8R1.2 BrCC1CCNCC1 B1292 [0,1,0,1,0,0|1,0,1]=4 631 B8R1.2 BrCC1CCOCC1 B3933 [0,1,0,1,0,0|1,0,1]=4 632 B8R1.2 BrC[C@H]1CCCOC1 B8026 [0,1,0,1,0,0|0,0,2]=4 633 B8R1.2 C#CC1CCNCC1 E24220 [0,1,0,1,0,0|1,0,1]=4 634 B8R1.2 C#CC1CCOCC1 E0568 [0,1,0,1,0,0|1,0,1]=4 635 B8R1.2 C#CC1CCSCC1 E13094 [0,1,0,1,0,0|1,0,1]=4 636 B8R1.2 C#C[C@H]1CCCNC1 E14072 [0,1,0,1,0,0|1,0,1]=4 637 B8R1.2 C#C[C@H]1CCCOC1 E14193 [0,1,0,1,0,0|1,0,1]=4 638 B8R1.2 CC[C@H]1CCCCN1 E46502 [0,1,0,1,0,0|1,0,1]=4 639 B8R1.2 CNC1CCNCC1 M13774 [0,1,0,1,0,0|2,0,0]=4 640 B8R1.2 CNC1CCOCC1 M10218 [0,1,0,1,0,0|2,0,0]=4 641 B8R1.2 CN[C@H]1CCCNC1 M43509 [0,1,0,1,0,0|1,0,1]=4 642 B8R1.2 CN[C@H]1CCCNC1 M43560 [0,1,0,1,0,0|1,0,1]=4 643 B8R1.2 COC1CCNCC1 M0482 [0,1,0,1,0,0|2,0,0]=4 644 B8R1.2 COC1CCNCC1 M1164 [0,1,0,1,0,0|2,0,0]=4 645 B8R1.2 CO[C@@H]1CCCNC1 M10269 [0,1,0,1,0,0|1,0,1]=4 646 B8R1.2 CO[C@@H]1CCCNC1 M10270 [0,1,0,1,0,0|1,0,1]=4 647 B8R1.2 CO[C@H]1CCCNC1 M10271 [0,1,0,1,0,0|1,0,1]=4 648 B8R1.2 CO[C@H]1CCCNC1 M1167 [0,1,0,1,0,0|1,0,1]=4 649 B8R1.2 CO[C@H]1CCCNC1 M7502 [0,1,0,1,0,0|1,0,1]=4 650 B8R1.2 ClC[C@H]1CCCCN1 C41543 [0,1,0,1,0,0|1,0,1]=4 651 B8R1.2 FCC1CCNCC1 F1237 [0,1,0,1,0,0|1,0,1]=4 652 B8R1.2 FCC1CCNCC1 F14211 [0,1,0,1,0,0|1,0,1]=4 653 B8R1.2 FC[C@H]1CCCCN1 F1342 [0,1,0,1,0,0|1,0,1]=4 654 B8R1.2 ICC1CCCCC1 I38363 [0,1,0,1,0,0|1,0,1]=4 655 B8R1.2 ICC1CCOCC1 I10217 [0,1,0,1,0,0|1,0,1]=4 656 B8R1.2 I[Zn]C1CCOCC1 T31854 [0,1,0,1,0,0|2,0,0]=4 657 B8R1.2 N#CC1CCCCC1 C69224 [0,1,0,1,0,0|1,0,1]=4 658 B8R1.2 N#CC1CCCCN1 P20239 [0,1,0,1,0,0|1,0,1]=4 659 B8R1.2 N#CC1CCNCC1 C10273 [0,1,0,1,0,0|1,0,1]=4 660 B8R1.2 N#CC1CCOCC1 C1508 [0,1,0,1,0,0|1,0,1]=4 661 B8R1.2 N#CC1CCSCC1 T13089 [0,1,0,1,0,0|1,0,1]=4 662 B8R1.2 N#C[C@@H]1CCCCN1 C13305 [0,1,0,1,0,0|1,0,1]=4 663 B8R1.2 N#C[C@@H]1CCCCN1 P43432 [0,1,0,1,0,0|1,0,1]=4 664 B8R1.2 N#C[C@@H]1CCCNC1 C15044 [0,1,0,1,0,0|1,0,1]=4 665 B8R1.2 N#C[C@H]1CCCNC1 C15045 [0,1,0,1,0,0|1,0,1]=4 666 B8R1.2 N#C[C@H]1CCCNC1 C1622 [0,1,0,1,0,0|1,0,1]=4 667 B8R1.2 NCC1CCCCC1 C43900 [0,1,0,1,0,0|1,0,1]=4 668 B8R1.2 NCC1CCOCC1 T1166 [0,1,0,1,0,0|1,0,1]=4 669 B8R1.2 NCC1CCSCC1 T13090 [0,1,0,1,0,0|1,0,1]=4 670 B8R1.2 NC[C@@H]1CCCOC1 T14517 [0,1,0,1,0,0|0,0,2]=4 671 B8R1.2 NC[C@H]1CCCCN1 P68366 [0,1,0,1,0,0|1,0,1]=4 672 B8R1.2 NC[C@H]1CCCNC1 P60926 [0,1,0,1,0,0|1,0,1]=4 673 B8R1.2 NC[C@H]1CCCOC1 A14515 [0,1,0,1,0,0|0,0,2]=4 674 B8R1.2 NC[C@H]1CCCOC1 T14516 [0,1,0,1,0,0|0,0,2]=4 675 B8R1.2 NNC1CCCCC1 C43508 [0,1,0,1,0,0|2,0,0]=4 676 B8R1.2 NNC1CCOCC1 T12041 [0,1,0,1,0,0|2,0,0]=4 677 B8R1.2 NNC1CCOCC1 T64234 [0,1,0,1,0,0|2,0,0]=4 678 B8R1.2 NO[C@@H]1CCCCO1 T24832 [0,1,0,1,0,0|2,0,0]=4 679 B8R1.2 O=CC1=CCCOC1 D43308 [0,1,0,1,0,0|0,0,2]=4 680 B8R1.2 O=CC1=COCCC1 D43307 [0,1,0,1,0,0|0,0,2]=4 681 B8R1.2 O=CC1CCOCC1 T0115 [0,1,0,1,0,0|0,0,0]=2 682 B8R1.2 O=CC1CCSCC1 T31827 [0,1,0,1,0,0|0,0,0]=2 683 B8R1.2 O=CN1CCCCC1 P68910 [0,1,0,1,0,0|1,0,0]=3 684 B8R1.2 O=CN1CCOCC1 M68909 [0,1,0,1,0,0|1,0,0]=3 685 B8R1.2 O=C[C@@H]1CCC=CO1 D15376 [0,1,0,1,0,0|0,0,2]=4 686 B8R1.2 OCC1CCNCC1 P0766 [0,1,0,1,0,0|0,0,2]=4 687 B8R1.2 OCC1CCOCC1 H0390 [0,1,0,1,0,0|0,0,2]=4 688 B8R1.2 OCC1CCSCC1 T13093 [0,1,0,1,0,0|0,0,2]=4 689 B8R1.2 OC[C@@H]1CCCCN1 P7111 [0,1,0,1,0,0|0,0,2]=4 690 B8R1.2 OC[C@@H]1CCCCO1 X24024 [0,1,0,1,0,0|0,0,2]=4 691 B8R1.2 OC[C@@H]1CCCNC1 P41579 [0,1,0,1,0,0|0,0,2]=4 692 B8R1.2 OC[C@@H]1CCCNC1 P60999 [0,1,0,1,0,0|0,0,2]=4 693 B8R1.2 OC[C@@H]1CCCOC1 X59846 [0,1,0,1,0,0|0,0,2]=4 694 B8R1.2 OC[C@H]1CCCCN1 H41578 [0,1,0,1,0,0|0,0,2]=4 695 B8R1.2 OC[C@H]1CCCCN1 P7110 [0,1,0,1,0,0|0,0,2]=4 696 B8R1.2 OC[C@H]1CCCNC1 P0762 [0,1,0,1,0,0|0,0,2]=4 697 B8R1.2 OC[C@H]1CCCNC1 P41576 [0,1,0,1,0,0|0,0,2]=4 698 B8R1.2 OC[C@H]1CCCOC1 H11515 [0,1,0,1,0,0|0,0,2]=4 699 B8R1.2 OC[C@H]1CCCOC1 X59849 [0,1,0,1,0,0|0,0,2]=4 700 B8R1.2 ONC1CCCCC1 C43480 [0,1,0,1,0,0|1,0,1]=4 701 B8R1.2 [Mg+]CC1CCCCC1 C31706 [0,1,0,1,0,0|1,0,1]=4 702 B8R1.3 CC1CCC(O)CC1 M61965 [0,1,0,1,0,0|1,0,1]=4 703 B8R1.3 C[C@@H]1CC[C@H](O)CN1 M59818 [0,1,0,1,0,0|2,0,0]=4 704 B8R1.3 C[C@@H]1CO[C@H](C)CN1 D43484 [0,1,0,1,0,0|0,0,2]=4 705 B8R1.3 C[C@H]1CC[C@@H](N)CC1 M46505 [0,1,0,1,0,0|1,0,1]=4 706 B8R1.3 C[C@H]1CC[C@H](N)CC1 M46506 [0,1,0,1,0,0|1,0,1]=4 707 B8R1.3 C[C@H]1CC[C@H](N)CC1 M68368 [0,1,0,1,0,0|1,0,1]=4 708 B8R1.3 C[C@H]1CN[C@@H](C)CN1 D11163 [0,1,0,1,0,0|1,0,1]=4 709 B8R1.3 C[C@H]1CN[C@H](C)CN1 D41608 [0,1,0,1,0,0|1,0,1]=4 710 B8R1.3 C[C@H]1CN[C@H](C)CO1 D41580 [0,1,0,1,0,0|0,0,2]=4 711 B8R1.3 C[C@H]1CO[C@@H](C)CN1 D43485 [0,1,0,1,0,0|0,0,2]=4 712 B8R1.5 CC1=NCCCN1C D39201 [0,1,0,1,0,0|2,0,0]=4 713 B8R1.5 CC1CCNCC1O H11697 [0,1,0,1,0,0|0,0,2]=4 714 B8R1.5 CC1CCNCC1O H11698 [0,1,0,1,0,0|0,0,2]=4 715 B8R1.5 CC1CNCCC1O M17031 [0,1,0,1,0,0|0,0,2]=4 716 B8R1.5 CC1CNCCC1O M41575 [0,1,0,1,0,0|0,0,2]=4 717 B8R1.5 CN1CCNCC1=O M12652 [0,1,0,1,0,0|1,0,0]=3 718 B8R1.5 CN1CCNCC1=O M4395 [0,1,0,1,0,0|1,0,0]=3 719 B8R1.5 C[C@@H]1CCCC[C@@H]1N M46507 [0,1,0,1,0,0|1,0,1]=4 720 B8R1.5 C[C@@H]1CCNC[C@@H]1O H14889 [0,1,0,1,0,0|0,0,2]=4 721 B8R1.5 C[C@@H]1CCNC[C@H]1O H11699 [0,1,0,1,0,0|0,0,2]=4 722 B8R1.5 C[C@@H]1CCNC[C@H]1O H14888 [0,1,0,1,0,0|0,0,2]=4 723 B8R1.5 C[C@@H]1CNCCN1C D10718 [0,1,0,1,0,0|2,0,0]=4 724 B8R1.5 C[C@@H]1CNCC[C@H]1O M30026 [0,1,0,1,0,0|0,0,2]=4 725 B8R1.5 C[C@@H]1COCC[C@H]1N M14514 [0,1,0,1,0,0|0,0,2]=4 726 B8R1.5 C[C@@H]1COCC[C@H]1N M27647 [0,1,0,1,0,0|0,0,2]=4 727 B8R1.5 C[C@@H]1COCC[C@H]1N M59772 [0,1,0,1,0,0|0,0,2]=4 728 B8R1.5 C[C@H]1CCCCC1=O M68370 [0,1,0,1,0,0|0,0,0]=2 729 B8R1.5 C[C@H]1CCCNC1=O P23372 [0,1,0,1,0,0|0,0,0]=2 730 B8R1.5 C[C@H]1CCNCC1=O M14887 [0,1,0,1,0,0|0,0,0]=2 731 B8R1.5 C[C@H]1CCNC[C@H]1O H11700 [0,1,0,1,0,0|0,0,2]=4 732 B8R1.5 C[C@H]1CNCCC1=O M14880 [0,1,0,1,0,0|0,0,0]=2 733 B8R1.5 C[C@H]1CNCCC1=O M41497 [0,1,0,1,0,0|0,0,0]=2 734 B8R1.5 C[C@H]1CNCCN1C D11166 [0,1,0,1,0,0|2,0,0]=4 735 B8R1.5 C[C@H]1CNCCN1C D23865 [0,1,0,1,0,0|2,0,0]=4 736 B8R1.5 C[C@H]1CNCCN1C D41606 [0,1,0,1,0,0|2,0,0]=4 737 B8R1.5 C[C@H]1COCCC1=O M11408 [0,1,0,1,0,0|0,0,0]=2 738 B8R1.5 C[C@H]1COCC[C@@H]1N M59773 [0,1,0,1,0,0|0,0,2]=4 739 B8R1.5 C[C@H]1COCC[C@H]1N M11514 [0,1,0,1,0,0|0,0,2]=4 740 B8R1.5 NN1CCCCC1=O A41312 [0,1,0,1,0,0|2,0,0]=4 741 B8R1.5 N[C@@H]1CCCNC1=O A41314 [0,1,0,1,0,0|1,0,0]=3 742 B8R1.5 N[C@H]1CCCCC1=O A63504 [0,1,0,1,0,0|1,0,0]=3 743 B8R1.5 N[C@H]1CCCNC1=O A38933 [0,1,0,1,0,0|1,0,0]=3 744 B8R1.5 N[C@H]1CCCNC1=O A41313 [0,1,0,1,0,0|1,0,0]=3 745 B8R1.5 N[C@H]1CCCNC1=O A64847 [0,1,0,1,0,0|1,0,0]=3 746 B8R1.5 O=C1CCCC=C1Br B3408 [0,1,0,1,0,0|1,0,1]=4 747 B8R1.5 O=C1CCCCC1=O C67839 [0,1,0,1,0,0|1,0,1]=4 748 B8R1.5 O=C1CCNC[C@@H]1F F11694 [0,1,0,1,0,0|1,0,0]=3 749 B8R1.5 O=C1CCNC[C@@H]1F F13759 [0,1,0,1,0,0|1,0,0]=3 750 B8R1.5 O=C1CCOC[C@@H]1Br B7711 [0,1,0,1,0,0|1,0,0]=3 751 B8R1.5 O=C1CCOC[C@@H]1F F5739 [0,1,0,1,0,0|1,0,0]=3 752 B8R1.5 O=C1NCCC[C@@H]1Br B41219 [0,1,0,1,0,0|1,0,0]=3 753 B8R1.5 O=C1NCCC[C@@H]1O H36756 [0,1,0,1,0,0|1,0,0]=3 754 B8R1.22 C[C@H]1CCNCCN1 M13937 [0,1,0,1,0,0|2,0,0]=4 755 B8R1.38 CC(CO)C1CCO1 X60289 [0,1,0,1,0,0|0,0,2]=4 756 B8R1.47 COC1CC(CN)C1 M0852 [0,1,0,1,0,0|1,0,1]=4 757 B8R1.47 CO[C@H]1C[C@H](CN)C1 M60412 [0,1,0,1,0,0|1,0,1]=4 758 B8R1.50 CC1C(=O)CCC1=O M25293 [0,1,0,1,0,0|0,0,1]=3 759 B8R1.50 CN1CCN(C)C1=N D41320 [0,1,0,1,0,0|2,0,0]=4 760 B8R1.50 CN1CC[N+](C)=C1Cl C40369 [0,1,0,1,0,0|2,0,0]=4 761 B8R1.50 O=C1OC[C@@H](O)[C@H]1O D40215 [0,1,0,1,0,0|2,0,0]=4 762 B8R1.52 C[C@@]1(CO)CCCN1 M27669 [0,1,0,1,0,0|0,0,2]=4 763 B8R1.52 C[C@]1(C#N)CCNC1 C13548 [0,1,0,1,0,0|1,0,1]=4 764 B8R1.52 C[C@]1(CBr)CCOC1 B13265 [0,1,0,1,0,0|1,0,1]=4 765 B8R1.52 C[C@]1(CN)CCCO1 M31869 [0,1,0,1,0,0|1,0,1]=4 766 B8R1.52 C[C@]1(CN)CCNC1 M1124 [0,1,0,1,0,0|1,0,1]=4 767 B8R1.52 C[C@]1(CN)CCOC1 A11774 [0,1,0,1,0,0|1,0,1]=4 768 B8R1.52 C[C@]1(CO)CCCN1 M27670 [0,1,0,1,0,0|0,0,2]=4 769 B8R1.52 C[C@]1(CO)CCOC1 M13264 [0,1,0,1,0,0|0,0,2]=4 770 B8R1.52 NCC1(F)CCCC1 F60053 [0,1,0,1,0,0|1,0,1]=4 771 B8R1.52 NCC1(O)CCCC1 A1151 [0,1,0,1,0,0|1,0,1]=4 772 B8R1.52 NCC1(O)CCCC1 A43483 [0,1,0,1,0,0|1,0,1]=4 773 B8R1.7 CC(=O)C1CCCC1 C69351 [0,1,0,1,0,0|0,0,0]=2 774 B8R1.7 CC(=O)[C@H]1NCCS1 T41381 [0,1,0,1,0,0|2,0,0]=4 775 B8R1.7 C[C@H](N)C1CCCC1 C31670 [0,1,0,1,0,0|1,0,1]=4 776 B8R1.7 N=C(N)[C@@H]1CCCN1 P69767 [0,1,0,1,0,0|2,0,0]=4 777 B8R1.7 N=C(N)[C@@H]1CCCO1 T41316 [0,1,0,1,0,0|2,0,0]=4 778 B8R1.7 NC(=O)[C@@H]1CCCN1 P23637 [0,1,0,1,0,0|1,0,0]=3 779 B8R1.7 NC(=O)[C@@H]1CCCN1 P64914 [0,1,0,1,0,0|1,0,0]=3 780 B8R1.7 NC(=O)[C@@H]1CCCN1 P67734 [0,1,0,1,0,0|1,0,0]=3 781 B8R1.7 NC(=O)[C@@H]1CCNC1 P0296 [0,1,0,1,0,0|1,0,0]=3 782 B8R1.7 NC(=O)[C@H]1CCCN1 P40370 [0,1,0,1,0,0|1,0,0]=3 783 B8R1.7 NC(=O)[C@H]1CCNC1 P0295 [0,1,0,1,0,0|1,0,0]=3 784 B8R1.7 NC(=O)[C@H]1CCNC1 P1146 [0,1,0,1,0,0|1,0,0]=3 785 B8R1.7 NC(=O)[C@H]1CCNC1 P7510 [0,1,0,1,0,0|1,0,0]=3 786 B8R1.7 NC(=O)[C@H]1CCNC1 P7511 [0,1,0,1,0,0|1,0,0]=3 787 B8R1.7 NC(=O)[C@H]1CCOC1 T11900 [0,1,0,1,0,0|1,0,0]=3 788 B8R1.7 O=C(Cl)[C@H]1CCOC1 T41177 [0,1,0,1,0,0|1,0,0]=3 789 B8R1.7 O=C(O)C1=CCCC1 C43305 [0,1,0,1,0,0|0,0,2]=4 790 B8R1.7 O=C(O)C1CC=CC1 C11537 [0,1,0,1,0,0|0,0,2]=4 791 B8R1.7 O=C(O)C1CCCC1 C23144 [0,1,0,1,0,0|0,0,0]=2 792 B8R1.7 O=C(O)[C@@H]1CCCN1 P69799 [0,1,0,1,0,0|1,0,0]=3 793 B8R1.7 O=C(O)[C@@H]1CCCO1 T37842 [0,1,0,1,0,0|1,0,0]=3 794 B8R1.7 O=C(O)[C@@H]1CCCO1 X25975 [0,1,0,1,0,0|1,0,0]=3 795 B8R1.7 O=C(O)[C@@H]1CCCS1 T41225 [0,1,0,1,0,0|1,0,0]=3 796 B8R1.7 O=C(O)[C@@H]1CCNC1 P12309 [0,1,0,1,0,0|1,0,0]=3 797 B8R1.7 O=C(O)[C@@H]1CCNC1 P6961 [0,1,0,1,0,0|1,0,0]=3 798 B8R1.7 O=C(O)[C@@H]1CCOC1 T1673 [0,1,0,1,0,0|1,0,0]=3 799 B8R1.7 O=C(O)[C@@H]1COCN1 X40338 [0,1,0,1,0,0|2,0,0]=4 800 B8R1.7 O=C(O)[C@H]1CCCO1 T25974 [0,1,0,1,0,0|1,0,0]=3 801 B8R1.7 O=C(O)[C@H]1CCNC1 P1152 [0,1,0,1,0,0|1,0,0]=3 802 B8R1.7 O=C(O)[C@H]1CCNC1 P1524 [0,1,0,1,0,0|1,0,0]=3 803 B8R1.7 O=C(O)[C@H]1CCNC1 P15767 [0,1,0,1,0,0|1,0,0]=3 804 B8R1.7 O=C(O)[C@H]1CCNC1 P41372 [0,1,0,1,0,0|1,0,0]=3 805 B8R1.7 O=C(O)[C@H]1CCOC1 T0394 [0,1,0,1,0,0|1,0,0]=3 806 B8R1.7 O=C(O)[C@H]1CCOC1 T0395 [0,1,0,1,0,0|1,0,0]=3 807 B8R1.7 O=C(O)[C@H]1CSCN1 T63317 [0,1,0,1,0,0|2,0,0]=4 808 B8R1.7 OB(O)C1CCCC1 C2400 [0,1,0,1,0,0|1,0,1]=4 809 B8R1.19 CC1(C)CCNC1=O D13691 [0,1,0,1,0,0|1,0,0]=3 810 B8R1.19 O=C1NCCC1(F)F D29703 [0,1,0,1,0,0|2,0,0]=4 811 B8R1.23 C=C1CC(C(=O)O)C1 M10240 [0,1,0,1,0,0|0,0,2]=4 812 B8R1.23 CC(=O)C1CC(O)C1 H22946 [0,1,0,1,0,0|1,0,0]=3 813 B8R1.23 CC(=O)N1CC(N)C1 A11253 [0,1,0,1,0,0|2,0,0]=4 814 B8R1.23 CC(=O)N1CC(O)C1 A15322 [0,1,0,1,0,0|2,0,0]=4 815 B8R1.23 CC1CC(C(=O)O)C1 M14949 [0,1,0,1,0,0|0,0,0]=2 816 B8R1.23 CN1CC(C(=O)O)C1 M0190 [0,1,0,1,0,0|1,0,0]=3 817 B8R1.23 C[C@H]1C[C@@H](C(=O)O)C1 M10526 [0,1,0,1,0,0|0,0,0]=2 818 B8R1.23 C[C@H]1C[C@H](C(=O)O)C1 M10527 [0,1,0,1,0,0|0,0,0]=2 819 B8R1.23 NC1CC(C(=O)O)C1 A12181 [0,1,0,1,0,0|1,0,0]=3 820 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 A0232 [0,1,0,1,0,0|1,0,0]=3 821 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 SB7470 [0,1,0,1,0,0|1,0,0]=3 822 B8R1.23 N[C@H]1C[C@H](C(=O)O)C1 A0233 [0,1,0,1,0,0|1,0,0]=3 823 B8R1.23 N[C@H]1C[C@H](C(=O)O)C1 SB7471 [0,1,0,1,0,0|1,0,0]=3 824 B8R1.23 O=C(O)C1CC(Cl)C1 C15268 [0,1,0,1,0,0|1,0,0]=3 825 B8R1.23 O=C(O)C1CC(F)C1 F0317 [0,1,0,1,0,0|1,0,0]=3 826 B8R1.23 O=C(O)C1CC(O)C1 H12369 [0,1,0,1,0,0|1,0,0]=3 827 B8R1.23 O=C(O)[C@H]1C[C@@H](F)C1 F59936 [0,1,0,1,0,0|1,0,0]=3 828 B8R1.23 O=C(O)[C@H]1C[C@@H](O)C1 H11727 [0,1,0,1,0,0|1,0,0]=3 829 B8R1.23 O=C(O)[C@H]1C[C@H](Cl)C1 C29816 [0,1,0,1,0,0|1,0,0]=3 830 B8R1.23 O=C(O)[C@H]1C[C@H](F)C1 F60295 [0,1,0,1,0,0|1,0,0]=3 831 B8R1.23 O=C(O)[C@H]1C[C@H](O)C1 H14950 [0,1,0,1,0,0|1,0,0]=3 832 B8R1.23 O=C1CC(C(=O)O)C1 X1338 [0,1,0,1,0,0|1,0,1]=4 833 B8R1.54 N[C@@H](C(=O)O)C1CC1 A11037 [0,1,0,1,0,0|1,0,0]=3 834 B8R1.54 N[C@H](C(=O)O)C1CC1 A67725 [0,1,0,1,0,0|1,0,0]=3 835 B8R1.54 O=C(O)C(=O)C1CC1 C41121 [0,1,0,1,0,0|1,0,1]=4 836 B8R1.78 CC(=O)C1(C)COC1 M7156 [0,1,0,1,0,0|1,0,0]=3 837 B8R1.78 CC1(C(=O)O)CCC1 M11732 [0,1,0,1,0,0|0,0,0]=2 838 B8R1.78 CC1(C(=O)O)CNC1 M29556 [0,1,0,1,0,0|1,0,0]=3 839 B8R1.78 CC1(C(=O)O)COC1 M6214 [0,1,0,1,0,0|1,0,0]=3 840 B8R1.78 NC1(C(=O)O)CCC1 A10609 [0,1,0,1,0,0|1,0,0]=3 841 B8R1.78 NC1(C(=O)O)CCC1 A26979 [0,1,0,1,0,0|1,0,0]=3 842 B8R1.78 NC1(C(=O)O)CNC1 A6058 [0,1,0,1,0,0|2,0,0]=4 843 B8R1.78 NC1(C(=O)O)COC1 A5828 [0,1,0,1,0,0|2,0,0]=4 844 B8R1.78 O=C(O)C1(F)CNC1 F11481 [0,1,0,1,0,0|2,0,0]=4 845 B8R1.78 O=C(O)C1(O)COC1 H60052 [0,1,0,1,0,0|2,0,0]=4 846 B8R1.8 NCCC1CCCC1 C46503 [0,1,0,1,0,0|1,0,1]=4 847 B8R1.8 [N-]=[N+]=NC1CCCC1 A5984 [0,1,0,1,0,0|2,0,0]=4 848 B8R1.11 CC[C@H]1CCCC1=O E43799 [0,1,0,1,0,0|0,0,0]=2 849 B8R1.11 CN1CCC[C@@H]1CN M8172 [0,1,0,1,0,0|1,0,1]=4 850 B8R1.11 CN1CCC[C@@H]1CO M14129 [0,1,0,1,0,0|0,0,2]=4 851 B8R1.11 CN1CCC[C@@H]1CO M41582 [0,1,0,1,0,0|0,0,2]=4 852 B8R1.11 CN1CCC[C@H]1CBr B41540 [0,1,0,1,0,0|1,0,1]=4 853 B8R1.11 CN1CCC[C@H]1CN M0297 [0,1,0,1,0,0|1,0,1]=4 854 B8R1.11 CN1CCC[C@H]1CN M43564 [0,1,0,1,0,0|1,0,1]=4 855 B8R1.11 CN1CCC[C@H]1CO M12480 [0,1,0,1,0,0|0,0,2]=4 856 B8R1.11 CO[C@H]1CCC[C@H]1N M60050 [0,1,0,1,0,0|1,0,1]=4 857 B8R1.11 N#C[C@@H]1CCC[C@@H]1N A13659 [0,1,0,1,0,0|1,0,1]=4 858 B8R1.11 N#C[C@H]1CCC[C@H]1N A20201 [0,1,0,1,0,0|1,0,1]=4 859 B8R1.11 N#C[C@H]1COCC1=O F13819 [0,1,0,1,0,0|1,0,1]=4 860 B8R1.11 N#C[C@H]1CSCC1=O X13820 [0,1,0,1,0,0|1,0,1]=4 861 B8R1.11 O=C1CCC[C@@H]1CO H41464 [0,1,0,1,0,0|0,0,0]=2 862 B8R1.11 O=C1NCC[C@@H]1CO H13645 [0,1,0,1,0,0|1,0,0]=3 863 B8R1.72 CC1(O)CCCCC1 M43886 [0,1,0,1,0,0|1,0,1]=4 864 B8R1.72 C[C@]1(O)CCCNC1 M1131 [0,1,0,1,0,0|1,0,1]=4 865 B8R1.72 C[C@]1(O)CCCNC1 M59908 [0,1,0,1,0,0|1,0,1]=4 866 B8R1.60 CCC1(C=O)COC1 E8388 [0,1,0,1,0,0|1,0,0]=3 867 B8R1.60 COC1(CN)CCC1 M15213 [0,1,0,1,0,0|1,0,1]=4 868 B8R1.60 ICC1(CI)CCC1 B6243 [0,1,0,1,0,0|1,0,1]=4 869 B8R1.60 NCC1(CN)CCC1 C23438 [0,1,0,1,0,0|1,0,1]=4 870 B8R1.60 NCC1(CO)CCC1 A1325 [0,1,0,1,0,0|0,0,2]=4 871 B8R1.60 OCC1(CO)CCC1 C6242 [0,1,0,1,0,0|0,0,2]=4 872 B8R2.34 C1=CC2CC1CN2 A13306 [0,0,0,2,0,0|2,0,0]=4 873 B8R2.34 C1=CC2CC1CN2 B30096 [0,0,0,2,0,0|2,0,0]=4 874 B8R2.23 C1NCC2CC1C2 A31840 [0,0,0,2,0,0|1,0,1]=4 875 B8R2.42 C1CC2(C1)CCN2 A8603 [0,0,0,2,0,0|2,0,0]=4 876 B8R2.42 C1CC2(C1)CNC2 A12363 [0,0,0,2,0,0|1,0,1]=4 877 B8R2.42 C1CC2(C1)CNC2 A6059 [0,0,0,2,0,0|1,0,1]=4 878 B8R2.31 NNC12CC(C1)C2 B60194 [0,0,0,2,0,0|2,0,0]=4 879 B8R2.31 OCC12CC(C1)C2 B22452 [0,0,0,2,0,0|0,0,2]=4