0 B4R0.2 BrCCCBr D69412 [0,0,0,0,0,0|3,0,0]=3 1 B4R0.2 C#CCCN B40327 [0,0,0,0,0,0|2,0,2]=4 2 B4R0.2 C#CCCO B26554 [0,0,0,0,0,0|2,0,2]=4 3 B4R0.2 C#CCNC M60803 [0,0,0,0,0,0|2,0,2]=4 4 B4R0.2 C=CCCN B21913 [0,0,0,0,0,0|2,0,2]=4 5 B4R0.2 C=CCCO B40252 [0,0,0,0,0,0|2,0,2]=4 6 B4R0.2 CC#CCO H64582 [0,0,0,0,0,0|2,0,1]=3 7 B4R0.2 CCCNN P39906 [0,0,0,0,0,0|3,0,0]=3 8 B4R0.2 CNCC#N M39141 [0,0,0,0,0,0|3,0,1]=4 9 B4R0.2 CNCCBr B38473 [0,0,0,0,0,0|3,0,0]=3 10 B4R0.2 CNCCCl C39886 [0,0,0,0,0,0|3,0,0]=3 11 B4R0.2 COCCBr B39138 [0,0,0,0,0,0|3,0,0]=3 12 B4R0.2 COCCI K39881 [0,0,0,0,0,0|3,0,0]=3 13 B4R0.2 CSCCN M62136 [0,0,0,0,0,0|3,0,0]=3 14 B4R0.2 ClCCCI C1367 [0,0,0,0,0,0|3,0,0]=3 15 B4R0.2 ICCCI D39865 [0,0,0,0,0,0|3,0,0]=3 16 B4R0.2 N#CCCN C64951 [0,0,0,0,0,0|3,0,1]=4 17 B4R0.2 N#CCCO H67414 [0,0,0,0,0,0|3,0,1]=4 18 B4R0.2 N#CCCS M39860 [0,0,0,0,0,0|3,0,1]=4 19 B4R0.2 NCCCCl C37835 [0,0,0,0,0,0|3,0,0]=3 20 B4R0.2 NCCCO A69322 [0,0,0,0,0,0|3,0,0]=3 21 B4R0.2 NOCCO A39786 [0,0,0,0,0,0|4,0,0]=4 22 B4R0.2 OCC#CI I9917 [0,0,0,0,0,0|3,0,1]=4 23 B4R0.2 OCCCBr B39137 [0,0,0,0,0,0|3,0,0]=3 24 B4R0.2 OCCCO P69117 [0,0,0,0,0,0|3,0,0]=3 25 B3R0.1 C#CCN P39910 [1,0,0,0,0,0|1,0,2]=4 26 B3R0.1 CCCN P62456 [1,0,0,0,0,0|1,0,0]=2 27 B3R0.1 CCNC M39932 [1,0,0,0,0,0|1,0,0]=2 28 B3R0.1 CCON E60797 [1,0,0,0,0,0|1,1,0]=3 29 B3R0.1 FCCI F39767 [1,0,0,0,0,0|2,0,0]=3 30 B3R0.1 N#CCI K39764 [1,0,0,0,0,0|2,0,1]=4 31 B3R0.1 N#CCN A68631 [1,0,0,0,0,0|2,0,1]=4 32 B3R0.1 NCCBr B68074 [1,0,0,0,0,0|2,0,0]=3 33 B3R0.1 NCCCl C68611 [1,0,0,0,0,0|2,0,0]=3 34 B3R0.1 NCCF F39796 [1,0,0,0,0,0|2,0,0]=3 35 B5R0.1 C=C(C)OCC E5573 [0,1,0,0,0,0|0,1,1]=3 36 B5R0.1 C=CC[C@H](C)O P62507 [0,1,0,0,0,0|1,0,2]=4 37 B5R0.1 CC#C[C@H](C)O B1790 [0,1,0,0,0,0|1,0,1]=3 38 B5R0.1 CC(=O)CCCl C69539 [0,1,0,0,0,0|2,0,1]=4 39 B5R0.1 CC(C)CNN B40316 [0,1,0,0,0,0|3,0,0]=4 40 B5R0.1 CC(C)\C=N\O I2624 [0,1,0,0,0,0|3,0,0]=4 41 B5R0.1 CCCB(O)O P5056 [0,1,0,0,0,0|3,0,0]=4 42 B5R0.1 CCC[C@@H](C)N P16023 [0,1,0,0,0,0|1,0,0]=2 43 B5R0.1 CCC[C@H](C)N P22363 [0,1,0,0,0,0|1,0,0]=2 44 B5R0.1 CCOC(=N)N E36845 [0,1,0,0,0,0|1,1,1]=4 45 B5R0.1 CCOC(=S)[S-] P69346 [0,1,0,0,0,0|1,1,1]=4 46 B5R0.1 CCOC(C)=N E68065 [0,1,0,0,0,0|0,1,1]=3 47 B5R0.1 CN(C)CCBr B39953 [0,1,0,0,0,0|3,0,0]=4 48 B5R0.1 COC[C@@H](C)N M40311 [0,1,0,0,0,0|2,0,0]=3 49 B5R0.1 COC[C@@H](C)O M39959 [0,1,0,0,0,0|2,0,0]=3 50 B5R0.1 COC[C@H](C)O M61064 [0,1,0,0,0,0|2,0,0]=3 51 B5R0.1 C[C@@H](N)CCO A10772 [0,1,0,0,0,0|2,0,0]=3 52 B5R0.1 C[C@H](N)CCO A10771 [0,1,0,0,0,0|2,0,0]=3 53 B5R0.1 C[C@H](N)CCO A39964 [0,1,0,0,0,0|2,0,0]=3 54 B5R0.1 C[C@H](O)CCO B68917 [0,1,0,0,0,0|2,0,0]=3 55 B5R0.1 OCCC(F)F D60407 [0,1,0,0,0,0|3,0,0]=4 56 B5R0.2 BrCCCCBr D69410 [0,1,0,0,0,0|2,0,0]=3 57 B5R0.2 BrC\C=C\CBr D60806 [0,1,0,0,0,0|2,0,1]=4 58 B5R0.2 C#CCCCCl C68183 [0,1,0,0,0,0|1,0,2]=4 59 B5R0.2 C#CCCCI I8474 [0,1,0,0,0,0|1,0,2]=4 60 B5R0.2 C#CCCCN P41368 [0,1,0,0,0,0|1,0,2]=4 61 B5R0.2 C#CCCCO P68382 [0,1,0,0,0,0|1,0,2]=4 62 B5R0.2 C=CCCCBr B41237 [0,1,0,0,0,0|1,0,2]=4 63 B5R0.2 C=CCCCCl C41238 [0,1,0,0,0,0|1,0,2]=4 64 B5R0.2 C=CCCCO P36921 [0,1,0,0,0,0|1,0,2]=4 65 B5R0.2 CCCCON B40310 [0,1,0,0,0,0|2,0,0]=3 66 B5R0.2 CCO\C=C/Br B2725 [0,1,0,0,0,0|0,1,2]=4 67 B5R0.2 CNCCCCl C39954 [0,1,0,0,0,0|2,0,0]=3 68 B5R0.2 CNCCCO M36844 [0,1,0,0,0,0|2,0,0]=3 69 B5R0.2 CNCCOC M23409 [0,1,0,0,0,0|2,0,0]=3 70 B5R0.2 COCCC#N M39153 [0,1,0,0,0,0|2,0,1]=4 71 B5R0.2 COCCCBr B68335 [0,1,0,0,0,0|2,0,0]=3 72 B5R0.2 COCCCO M69411 [0,1,0,0,0,0|2,0,0]=3 73 B5R0.2 ClCC#CCCl D40070 [0,1,0,0,0,0|2,0,1]=4 74 B5R0.2 ClCCCCI C40239 [0,1,0,0,0,0|2,0,0]=3 75 B5R0.2 ICCCCI D37834 [0,1,0,0,0,0|2,0,0]=3 76 B5R0.2 N#CCCCBr B67593 [0,1,0,0,0,0|2,0,1]=4 77 B5R0.2 N#CCCCCl C64907 [0,1,0,0,0,0|2,0,1]=4 78 B5R0.2 NCCCCBr B39952 [0,1,0,0,0,0|2,0,0]=3 79 B5R0.2 NCCCCN D39162 [0,1,0,0,0,0|2,0,0]=3 80 B5R0.2 NC\C=C/CCl C65470 [0,1,0,0,0,0|2,0,1]=4 81 B5R0.2 NC\C=C/CN B69714 [0,1,0,0,0,0|2,0,1]=4 82 B5R0.2 OCCCCBr B67330 [0,1,0,0,0,0|2,0,0]=3 83 B5R0.2 OC\C=C\CO B64254 [0,1,0,0,0,0|2,0,1]=4 84 B5R0.3 C=C(CBr)CBr B36829 [0,1,0,0,0,0|3,0,0]=4 85 B5R0.3 C=C(CCl)CCl C10867 [0,1,0,0,0,0|3,0,0]=4 86 B5R0.3 C=C(CO)CO M5145 [0,1,0,0,0,0|3,0,0]=4 87 B5R0.3 CC(CBr)CBr D40238 [0,1,0,0,0,0|3,0,0]=4 88 B5R0.3 CC(CO)CO M60880 [0,1,0,0,0,0|3,0,0]=4 89 B5R0.3 CCC(=N)NO H39883 [0,1,0,0,0,0|3,0,0]=4 90 B5R0.3 CCC(=O)CN A32390 [0,1,0,0,0,0|2,0,0]=3 91 B5R0.3 CCC(=O)CO H36713 [0,1,0,0,0,0|2,0,0]=3 92 B5R0.3 CCC(N)CC P40440 [0,1,0,0,0,0|1,0,0]=2 93 B5R0.3 CC[C@@H](N)CO A39144 [0,1,0,0,0,0|2,0,0]=3 94 B5R0.3 CC[C@@H](O)CO B39955 [0,1,0,0,0,0|2,0,0]=3 95 B5R0.3 CC[C@H](N)CO A39145 [0,1,0,0,0,0|2,0,0]=3 96 B5R0.3 CC[C@H](O)CO B39956 [0,1,0,0,0,0|2,0,0]=3 97 B5R0.3 CNC(=O)CBr B60913 [0,1,0,0,0,0|3,0,0]=4 98 B5R0.3 CNC(=O)CCl C67921 [0,1,0,0,0,0|3,0,0]=4 99 B5R0.3 COC(=O)CN M69126 [0,1,0,0,0,0|3,0,0]=4 100 B5R0.3 COC(=O)CO M67586 [0,1,0,0,0,0|3,0,0]=4 101 B5R0.3 CO[C@@H](C)CN M40313 [0,1,0,0,0,0|3,0,0]=4 102 B5R0.3 CO[C@@H](C)CO M68380 [0,1,0,0,0,0|3,0,0]=4 103 B5R0.3 CO[C@H](C)CN M40312 [0,1,0,0,0,0|3,0,0]=4 104 B5R0.3 CO[C@H](C)CO M68381 [0,1,0,0,0,0|3,0,0]=4 105 B5R0.3 NCC(O)CN D38498 [0,1,0,0,0,0|3,0,0]=4 106 B5R0.3 NC[C@@H](O)CCl A39888 [0,1,0,0,0,0|3,0,0]=4 107 B5R0.3 NC[C@@H](O)CO A67523 [0,1,0,0,0,0|3,0,0]=4 108 B5R0.3 NC[C@H](Br)CBr D9273 [0,1,0,0,0,0|3,0,0]=4 109 B5R0.3 NC[C@H](O)CCl A36622 [0,1,0,0,0,0|3,0,0]=4 110 B5R0.3 NC[C@H](O)CCl A39887 [0,1,0,0,0,0|3,0,0]=4 111 B5R0.3 NC[C@H](O)CF A28629 [0,1,0,0,0,0|3,0,0]=4 112 B5R0.3 NC[C@H](O)CO A38562 [0,1,0,0,0,0|3,0,0]=4 113 B5R0.3 NC[C@H](O)CO A67451 [0,1,0,0,0,0|3,0,0]=4 114 B5R0.3 O=C(CCl)CCl D4849 [0,1,0,0,0,0|3,0,0]=4 115 B5R0.3 OC[C@@H](O)CCl C69122 [0,1,0,0,0,0|3,0,0]=4 116 B5R0.3 OC[C@@H](O)CF F60905 [0,1,0,0,0,0|3,0,0]=4 117 B5R0.3 OC[C@H](O)CCl C68371 [0,1,0,0,0,0|3,0,0]=4 118 B5R0.3 OC[C@H](O)CF F60904 [0,1,0,0,0,0|3,0,0]=4 119 B5R1.1 C1=CCNC1 D40328 [0,0,0,1,0,0|1,0,2]=4 120 B5R1.1 C1CNNC1 P39938 [0,0,0,1,0,0|2,0,0]=3 121 B5R1.1 C1CSCN1 T38217 [0,0,0,1,0,0|1,0,0]=2 122 B5R1.1 C1CSCN1 T60563 [0,0,0,1,0,0|1,0,0]=2 123 B5R1.2 BrC1CCC1 B23687 [0,0,0,1,0,0|2,0,0]=3 124 B5R1.2 BrC1CNC1 B13326 [0,0,0,1,0,0|3,0,0]=4 125 B5R1.2 BrC1COC1 B5688 [0,0,0,1,0,0|3,0,0]=4 126 B5R1.2 CC1CNC1 M1321 [0,0,0,1,0,0|2,0,0]=3 127 B5R1.2 C[C@H]1CCN1 M29512 [0,0,0,1,0,0|1,0,0]=2 128 B5R1.2 ClC1CNC1 C1323 [0,0,0,1,0,0|3,0,0]=4 129 B5R1.2 ClC1COC1 C8470 [0,0,0,1,0,0|3,0,0]=4 130 B5R1.2 FC1CNC1 F5255 [0,0,0,1,0,0|3,0,0]=4 131 B5R1.2 IC1CCC1 I23424 [0,0,0,1,0,0|2,0,0]=3 132 B5R1.2 IC1CNC1 I13327 [0,0,0,1,0,0|3,0,0]=4 133 B5R1.2 IC1COC1 I5689 [0,0,0,1,0,0|3,0,0]=4 134 B5R1.2 NC1CCC1 C60561 [0,0,0,1,0,0|2,0,0]=3 135 B5R1.2 NC1CNC1 A5482 [0,0,0,1,0,0|3,0,0]=4 136 B5R1.2 NC1COC1 O5613 [0,0,0,1,0,0|3,0,0]=4 137 B5R1.2 NC1CSC1 T6025 [0,0,0,1,0,0|3,0,0]=4 138 B5R1.2 O=C1CCC1 C8674 [0,0,0,1,0,0|2,0,1]=4 139 B5R1.2 OC1CNC1 H2864 [0,0,0,1,0,0|3,0,0]=4 140 B5R1.2 OC1COC1 O5686 [0,0,0,1,0,0|3,0,0]=4 141 B5R1.2 SC1CNC1 A11453 [0,0,0,1,0,0|3,0,0]=4 142 B5R1.2 SC1COC1 O8471 [0,0,0,1,0,0|3,0,0]=4 143 B5R1.2 [Mg+]C1CCC1 P5028 [0,0,0,1,0,0|2,0,0]=3 144 B5R1.3 BrCC1CC1 C2498 [0,0,0,1,0,0|2,0,0]=3 145 B5R1.3 CNC1CC1 M1319 [0,0,0,1,0,0|2,0,0]=3 146 B5R1.3 CNC1CC1 M14718 [0,0,0,1,0,0|2,0,0]=3 147 B5R1.3 ClC[C@@H]1CO1 E10841 [0,0,0,1,0,0|3,0,0]=4 148 B5R1.3 ClC[C@H]1CO1 E10840 [0,0,0,1,0,0|3,0,0]=4 149 B5R1.3 NNC1CC1 C19179 [0,0,0,1,0,0|3,0,0]=4 150 B5R1.3 NNC1CC1 C32080 [0,0,0,1,0,0|3,0,0]=4 151 B5R1.3 O=CC1CC1 C20058 [0,0,0,1,0,0|2,0,1]=4 152 B5R1.3 OC[C@@H]1CO1 X39872 [0,0,0,1,0,0|3,0,0]=4 153 B5R1.3 OC[C@H]1CO1 X60516 [0,0,0,1,0,0|3,0,0]=4 154 B5R1.4 C[C@@H]1C[C@H]1N M40340 [0,0,0,1,0,0|2,0,0]=3 155 B5R1.4 N[C@@H]1C[C@H]1F F32136 [0,0,0,1,0,0|3,0,0]=4 156 B2R0.1 CNN M39755 [2,0,0,0,0,0|2,0,0]=4 157 B2R0.1 CNO M67840 [2,0,0,0,0,0|1,1,0]=4 158 B2R0.1 CON H69345 [2,0,0,0,0,0|1,1,0]=4 159 B2R0.1 CSC C60754 [2,0,0,0,0,0|0,0,0]=2 160 B4R0.1 C#C[C@@H](C)O B62970 [1,1,0,0,0,0|0,0,2]=4 161 B4R0.1 C#C[C@H](C)N B32316 [1,1,0,0,0,0|0,0,2]=4 162 B4R0.1 C#C[C@H](C)O B40212 [1,1,0,0,0,0|0,0,2]=4 163 B4R0.1 CC(=O)CN A38843 [1,1,0,0,0,0|1,0,1]=4 164 B4R0.1 CC(=O)CO H60801 [1,1,0,0,0,0|1,0,1]=4 165 B4R0.1 CC(C)NN P67395 [1,1,0,0,0,0|2,0,0]=4 166 B4R0.1 CC(C)NO P39934 [1,1,0,0,0,0|2,0,0]=4 167 B4R0.1 CC(C)ON P39935 [1,1,0,0,0,0|1,1,0]=4 168 B4R0.1 CCB(O)O E3108 [1,1,0,0,0,0|2,0,0]=4 169 B4R0.1 CCC(=N)N P39882 [1,1,0,0,0,0|1,0,1]=4 170 B4R0.1 CCC(=N)N P39927 [1,1,0,0,0,0|1,0,1]=4 171 B4R0.1 CCC(N)=O P68920 [1,1,0,0,0,0|1,0,1]=4 172 B4R0.1 CC[C@H](C)N B62608 [1,1,0,0,0,0|0,0,0]=2 173 B4R0.1 CC[S@](=O)[O-] S39781 [1,1,0,0,0,0|1,0,1]=4 174 B4R0.1 CNN(C)C T66359 [1,1,0,0,0,0|2,0,0]=4 175 B4R0.1 CSC(=N)N M60715 [1,1,0,0,0,0|1,0,1]=4 176 B4R0.1 C[C@@H](Cl)CO C39879 [1,1,0,0,0,0|1,0,0]=3 177 B4R0.1 C[C@@H](N)CN D39937 [1,1,0,0,0,0|1,0,0]=3 178 B4R0.1 C[C@@H](N)CO A13415 [1,1,0,0,0,0|1,0,0]=3 179 B4R0.1 C[C@@H](O)CCl C67728 [1,1,0,0,0,0|1,0,0]=3 180 B4R0.1 C[C@@H](O)CN A67482 [1,1,0,0,0,0|1,0,0]=3 181 B4R0.1 C[C@H](Br)CN B39885 [1,1,0,0,0,0|1,0,0]=3 182 B4R0.1 C[C@H](Cl)CO C39880 [1,1,0,0,0,0|1,0,0]=3 183 B4R0.1 C[C@H](N)CF F62811 [1,1,0,0,0,0|1,0,0]=3 184 B4R0.1 C[C@H](N)CN P39936 [1,1,0,0,0,0|1,0,0]=3 185 B4R0.1 C[C@H](N)CO A13416 [1,1,0,0,0,0|1,0,0]=3 186 B4R0.1 C[C@H](N)CO A69136 [1,1,0,0,0,0|1,0,0]=3 187 B4R0.1 C[C@H](O)CN A69178 [1,1,0,0,0,0|1,0,0]=3 188 B4R0.1 C[C@H](O)CO P60705 [1,1,0,0,0,0|1,0,0]=3 189 B6R0.1 CC=CC(=O)CC H41457 [0,2,0,0,0,0|1,0,1]=4 190 B6R0.1 CCC[C@@H](Cl)CC C63946 [0,2,0,0,0,0|1,0,0]=3 191 B6R0.1 CCC[C@H](N)CO A40443 [0,2,0,0,0,0|1,0,0]=3 192 B6R0.1 CCC[C@H](N)CO A66421 [0,2,0,0,0,0|1,0,0]=3 193 B6R0.1 CCOC(=O)CN G69291 [0,2,0,0,0,0|0,1,1]=4 194 B6R0.1 CCOC(=O)CO E37817 [0,2,0,0,0,0|0,1,1]=4 195 B6R0.1 CCOC(=O)OC E40254 [0,2,0,0,0,0|0,1,1]=4 196 B6R0.1 CCO\C(C)=N\O E68624 [0,2,0,0,0,0|0,1,1]=4 197 B6R0.1 CNC(=O)CCN A40306 [0,2,0,0,0,0|2,0,0]=4 198 B6R0.1 CNC[C@H](O)CO M37886 [0,2,0,0,0,0|2,0,0]=4 199 B6R0.1 COC(=O)CCBr M39155 [0,2,0,0,0,0|2,0,0]=4 200 B6R0.1 COC(=O)CCN M67902 [0,2,0,0,0,0|2,0,0]=4 201 B6R0.1 COC(=O)CCO M24551 [0,2,0,0,0,0|2,0,0]=4 202 B6R0.1 CO[C@@H](C)CCO M68623 [0,2,0,0,0,0|2,0,0]=4 203 B6R0.2 CC(=O)NC(C)C P40402 [0,2,0,0,0,0|1,0,1]=4 204 B6R0.2 CC(=O)O[C@H](C)Br B40231 [0,2,0,0,0,0|0,1,1]=4 205 B6R0.2 CC(C)C[C@H](C)N M43511 [0,2,0,0,0,0|1,0,0]=3 206 B6R0.2 CC(C)NC(C)C D64760 [0,2,0,0,0,0|1,0,0]=3 207 B6R0.2 C[C@@H](O)C[C@@H](C)O P40432 [0,2,0,0,0,0|1,0,0]=3 208 B6R0.2 C[C@H](O)C[C@H](C)O P40433 [0,2,0,0,0,0|1,0,0]=3 209 B6R0.3 CC(C)[C@@H](N)CO V15808 [0,2,0,0,0,0|2,0,0]=4 210 B6R0.3 CC(C)[C@H](N)CO V40442 [0,2,0,0,0,0|2,0,0]=4 211 B6R0.3 CCC(=O)N(C)C D67412 [0,2,0,0,0,0|2,0,0]=4 212 B6R0.3 CCN(C)C(C)=O E40404 [0,2,0,0,0,0|1,0,1]=4 213 B6R0.3 CNC(=O)[C@H](C)N A40308 [0,2,0,0,0,0|2,0,0]=4 214 B6R0.3 COC(=O)[C@@H](C)O M68913 [0,2,0,0,0,0|2,0,0]=4 215 B6R0.3 COC(=O)[C@H](C)Cl M68359 [0,2,0,0,0,0|2,0,0]=4 216 B6R0.3 COC(=O)[C@H](C)N A68085 [0,2,0,0,0,0|2,0,0]=4 217 B6R0.3 COC(=O)[C@H](C)N M68343 [0,2,0,0,0,0|2,0,0]=4 218 B6R0.3 COC(=O)[C@H](C)O M69777 [0,2,0,0,0,0|2,0,0]=4 219 B6R0.3 C[C@@H](O)[C@H](N)CO A68622 [0,2,0,0,0,0|2,0,0]=4 220 B6R0.3 C[C@H](O)[C@@H](N)CO T39965 [0,2,0,0,0,0|2,0,0]=4 221 B6R0.4 CC(=O)CCCCl C68599 [0,2,0,0,0,0|1,0,1]=4 222 B6R0.4 CC(=O)NCCN A68626 [0,2,0,0,0,0|1,0,1]=4 223 B6R0.4 CC(=O)NCCO H68625 [0,2,0,0,0,0|1,0,1]=4 224 B6R0.4 CC(=O)OCCBr B67892 [0,2,0,0,0,0|0,1,1]=4 225 B6R0.4 CC(C)=CCCBr B0351 [0,2,0,0,0,0|1,0,1]=4 226 B6R0.4 CC(C)=CCC[Mg+] M31885 [0,2,0,0,0,0|1,0,1]=4 227 B6R0.4 CC(C)CCCO M67872 [0,2,0,0,0,0|1,0,0]=3 228 B6R0.4 CC(C)NCCCl C40431 [0,2,0,0,0,0|1,0,0]=3 229 B6R0.4 CC(C)OCCBr B69154 [0,2,0,0,0,0|0,1,0]=3 230 B6R0.4 CCCCC(=N)N P41343 [0,2,0,0,0,0|1,0,1]=4 231 B6R0.4 CCCCC(=O)[O-] S38573 [0,2,0,0,0,0|1,0,1]=4 232 B6R0.4 CN(C)CCCBr B40430 [0,2,0,0,0,0|2,0,0]=4 233 B6R0.4 CN(C)CCCCl C69241 [0,2,0,0,0,0|2,0,0]=4 234 B6R0.4 CNCCN(C)C T41392 [0,2,0,0,0,0|2,0,0]=4 235 B6R0.5 CC(C)(C)CCBr B41571 [0,2,0,0,0,0|2,0,0]=4 236 B6R0.5 CC(C)(F)CCN F62077 [0,2,0,0,0,0|2,0,0]=4 237 B6R0.5 CC(C)(N)CCN M37075 [0,2,0,0,0,0|2,0,0]=4 238 B6R0.5 CC(C)(N)CCO A40444 [0,2,0,0,0,0|2,0,0]=4 239 B6R0.5 CC(C)(O)CCN A61563 [0,2,0,0,0,0|2,0,0]=4 240 B6R0.5 CCC[N+](C)(C)C T43586 [0,2,0,0,0,0|2,0,0]=4 241 B6R0.5 CNCC(C)(C)O M40445 [0,2,0,0,0,0|2,0,0]=4 242 B6R0.5 COCC(C)(C)O M40434 [0,2,0,0,0,0|2,0,0]=4 243 B6R0.6 BrCCNCCBr B28721 [0,2,0,0,0,0|1,0,0]=3 244 B6R0.6 C#CCCCCI K43321 [0,2,0,0,0,0|1,0,1]=4 245 B6R0.6 C#CCCCCO H41456 [0,2,0,0,0,0|1,0,1]=4 246 B6R0.6 C=CCCCCBr B9212 [0,2,0,0,0,0|1,0,1]=4 247 B6R0.6 C=CCCCCO H41549 [0,2,0,0,0,0|1,0,1]=4 248 B6R0.6 C=CCCCC[Mg+] H5025 [0,2,0,0,0,0|1,0,1]=4 249 B6R0.6 CC=CCCCO H41548 [0,2,0,0,0,0|1,0,1]=4 250 B6R0.6 CCCCCC[Mg+] H31703 [0,2,0,0,0,0|1,0,0]=3 251 B6R0.6 CCCCCNC M41618 [0,2,0,0,0,0|1,0,0]=3 252 B6R0.6 CCCCN=[N+]=[N-] A1814 [0,2,0,0,0,0|2,0,0]=4 253 B6R0.6 CCC\C=C\CO H41550 [0,2,0,0,0,0|1,0,1]=4 254 B6R0.6 CCOCCC#N E41255 [0,2,0,0,0,0|0,1,0]=3 255 B6R0.6 CNCCCCBr B40429 [0,2,0,0,0,0|1,0,0]=3 256 B6R0.6 CNCCCCO M38840 [0,2,0,0,0,0|1,0,0]=3 257 B6R0.6 COCCCCBr B40422 [0,2,0,0,0,0|1,0,0]=3 258 B6R0.6 ClCCCCCBr B39164 [0,2,0,0,0,0|1,0,0]=3 259 B6R0.6 ClCCNCCCl B69332 [0,2,0,0,0,0|1,0,0]=3 260 B6R0.6 FCCCCCBr B37978 [0,2,0,0,0,0|1,0,0]=3 261 B6R0.6 ICCCCCI D24633 [0,2,0,0,0,0|1,0,0]=3 262 B6R0.6 N#CCCCCBr B41217 [0,2,0,0,0,0|1,0,1]=4 263 B6R0.6 N#CCCCCCl C69554 [0,2,0,0,0,0|1,0,1]=4 264 B6R0.6 N#CCCCCN A6983 [0,2,0,0,0,0|1,0,1]=4 265 B6R0.6 NCCNCCO A68374 [0,2,0,0,0,0|1,0,0]=3 266 B6R0.6 NCCOCCN X39968 [0,2,0,0,0,0|0,1,0]=3 267 B6R0.6 NCCOCCN X40357 [0,2,0,0,0,0|0,1,0]=3 268 B6R0.6 O=CCCCCCl C41277 [0,2,0,0,0,0|1,0,1]=4 269 B6R0.6 O=CCCCCO H32202 [0,2,0,0,0,0|1,0,1]=4 270 B6R0.6 OCCOCCCl C60784 [0,2,0,0,0,0|0,1,0]=3 271 B6R0.6 OCCOCCO D43939 [0,2,0,0,0,0|0,1,0]=3 272 B6R0.8 CCS(=O)(=O)OC M39889 [0,2,0,0,0,0|1,0,1]=4 273 B6R0.9 CCC(CC)C[Mg+] E31704 [0,2,0,0,0,0|1,0,0]=3 274 B6R0.9 CCN(C=O)CC D68184 [0,2,0,0,0,0|1,0,0]=3 275 B4R1.1 C1CNC1 A1584 [1,0,0,1,0,0|1,0,0]=3 276 B4R1.1 C1CNC1 A31833 [1,0,0,1,0,0|1,0,0]=3 277 B4R1.2 BrC1CC1 B23669 [1,0,0,1,0,0|1,0,0]=3 278 B4R1.2 C[C@@H]1CN1 M6947 [1,0,0,1,0,0|1,0,0]=3 279 B4R1.2 C[C@H]1CN1 M6944 [1,0,0,1,0,0|1,0,0]=3 280 B4R1.2 OC1CC1 C21681 [1,0,0,1,0,0|1,0,0]=3 281 B6R1.2 Br[C@H]1CCNC1 B40246 [0,1,0,1,0,0|1,0,0]=3 282 B6R1.2 Br[C@H]1CCOC1 B0393 [0,1,0,1,0,0|0,1,0]=3 283 B6R1.2 CC1=NCCC1 M41239 [0,1,0,1,0,0|1,0,1]=4 284 B6R1.2 C[C@@H]1CCCN1 M23610 [0,1,0,1,0,0|1,0,0]=3 285 B6R1.2 C[C@@H]1CCNC1 M22540 [0,1,0,1,0,0|1,0,0]=3 286 B6R1.2 C[C@H]1CCCN1 M21836 [0,1,0,1,0,0|1,0,0]=3 287 B6R1.2 C[C@H]1CCCN1 M24199 [0,1,0,1,0,0|1,0,0]=3 288 B6R1.2 C[C@H]1CCCN1 M24435 [0,1,0,1,0,0|1,0,0]=3 289 B6R1.2 C[C@H]1CCNC1 M22012 [0,1,0,1,0,0|1,0,0]=3 290 B6R1.2 C[C@H]1CCNC1 M69520 [0,1,0,1,0,0|1,0,0]=3 291 B6R1.2 F[C@@H]1CCNC1 F7494 [0,1,0,1,0,0|1,0,0]=3 292 B6R1.2 F[C@H]1CCNC1 F0136 [0,1,0,1,0,0|1,0,0]=3 293 B6R1.2 F[C@H]1CCNC1 F7493 [0,1,0,1,0,0|1,0,0]=3 294 B6R1.2 IC1CCCC1 I20419 [0,1,0,1,0,0|1,0,0]=3 295 B6R1.2 I[C@@H]1CCOC1 I1538 [0,1,0,1,0,0|0,1,0]=3 296 B6R1.2 I[C@H]1CCOC1 I0392 [0,1,0,1,0,0|0,1,0]=3 297 B6R1.2 I[C@H]1CCOC1 I1672 [0,1,0,1,0,0|0,1,0]=3 298 B6R1.2 NC1=NCCC1 D38561 [0,1,0,1,0,0|1,0,1]=4 299 B6R1.2 NC1CC=CC1 A13279 [0,1,0,1,0,0|1,0,1]=4 300 B6R1.2 N[C@@H]1CCNC1 P16877 [0,1,0,1,0,0|1,0,0]=3 301 B6R1.2 N[C@@H]1CCNC1 P16878 [0,1,0,1,0,0|1,0,0]=3 302 B6R1.2 N[C@@H]1CCOC1 A7431 [0,1,0,1,0,0|0,1,0]=3 303 B6R1.2 N[C@@H]1CCOC1 X16388 [0,1,0,1,0,0|0,1,0]=3 304 B6R1.2 N[C@H]1CCNC1 P16879 [0,1,0,1,0,0|1,0,0]=3 305 B6R1.2 N[C@H]1CCNC1 P68854 [0,1,0,1,0,0|1,0,0]=3 306 B6R1.2 N[C@H]1CCOC1 A0023 [0,1,0,1,0,0|0,1,0]=3 307 B6R1.2 N[C@H]1CCOC1 A7432 [0,1,0,1,0,0|0,1,0]=3 308 B6R1.2 N[C@H]1CCOC1 T40344 [0,1,0,1,0,0|0,1,0]=3 309 B6R1.2 N[C@H]1CCOC1 X22238 [0,1,0,1,0,0|0,1,0]=3 310 B6R1.2 O=C1CCNC1 P0198 [0,1,0,1,0,0|1,0,1]=4 311 B6R1.2 O=C1CCOC1 X0391 [0,1,0,1,0,0|0,1,1]=4 312 B6R1.2 O=C1CCSC1 D10906 [0,1,0,1,0,0|0,0,1]=3 313 B6R1.2 O=C1NCCS1 T39859 [0,1,0,1,0,0|1,0,1]=4 314 B6R1.2 OC1CC=CC1 C67522 [0,1,0,1,0,0|1,0,1]=4 315 B6R1.2 O[C@@H]1CCNC1 H7458 [0,1,0,1,0,0|1,0,0]=3 316 B6R1.2 O[C@@H]1CCNC1 P4643 [0,1,0,1,0,0|1,0,0]=3 317 B6R1.2 O[C@@H]1CCOC1 H7563 [0,1,0,1,0,0|0,1,0]=3 318 B6R1.2 O[C@H]1CCNC1 H0275 [0,1,0,1,0,0|1,0,0]=3 319 B6R1.2 O[C@H]1CCNC1 H7496 [0,1,0,1,0,0|1,0,0]=3 320 B6R1.2 O[C@H]1CCNC1 P0679 [0,1,0,1,0,0|1,0,0]=3 321 B6R1.2 O[C@H]1CCOC1 H0466 [0,1,0,1,0,0|0,1,0]=3 322 B6R1.2 O[C@H]1CCOC1 H10322 [0,1,0,1,0,0|0,1,0]=3 323 B6R1.2 O[C@H]1CNOC1 K39924 [0,1,0,1,0,0|1,1,0]=4 324 B6R1.2 [Mg+][C@H]1CCOC1 T2962 [0,1,0,1,0,0|0,1,0]=3 325 B6R1.3 CNCC1CC1 C25333 [0,1,0,1,0,0|1,0,0]=3 326 B6R1.3 ICCC1CC1 I23113 [0,1,0,1,0,0|1,0,0]=3 327 B6R1.3 NCCC1CC1 C7864 [0,1,0,1,0,0|1,0,0]=3 328 B6R1.3 NNCC1CC1 C25488 [0,1,0,1,0,0|2,0,0]=4 329 B6R1.3 NOCC1CC1 C36851 [0,1,0,1,0,0|2,0,0]=4 330 B6R1.3 OCCC1CC1 C7861 [0,1,0,1,0,0|1,0,0]=3 331 B6R1.3 OCCN1CC1 A69643 [0,1,0,1,0,0|1,0,0]=3 332 B6R1.5 CC1CC(=O)C1 M17286 [0,1,0,1,0,0|1,0,1]=4 333 B6R1.5 CC1CC(N)C1 M41317 [0,1,0,1,0,0|1,0,0]=3 334 B6R1.5 CN1CC(N)C1 M0108 [0,1,0,1,0,0|2,0,0]=4 335 B6R1.5 CN1CC(O)C1 H0109 [0,1,0,1,0,0|2,0,0]=4 336 B6R1.5 NC1CC(F)C1 F0321 [0,1,0,1,0,0|2,0,0]=4 337 B6R1.5 NC1CC(N)C1 C11439 [0,1,0,1,0,0|2,0,0]=4 338 B6R1.5 NC1CC(O)C1 A0319 [0,1,0,1,0,0|2,0,0]=4 339 B6R1.5 NC1CC(O)C1 A23779 [0,1,0,1,0,0|2,0,0]=4 340 B6R1.5 N[C@H]1C[C@@H](F)C1 F11662 [0,1,0,1,0,0|2,0,0]=4 341 B6R1.5 N[C@H]1C[C@@H](N)C1 C11440 [0,1,0,1,0,0|2,0,0]=4 342 B6R1.5 N[C@H]1C[C@@H](N)C1 C14367 [0,1,0,1,0,0|2,0,0]=4 343 B6R1.5 N[C@H]1C[C@@H](O)C1 A0711 [0,1,0,1,0,0|2,0,0]=4 344 B6R1.5 N[C@H]1C[C@@H](O)C1 A15550 [0,1,0,1,0,0|2,0,0]=4 345 B6R1.5 N[C@H]1C[C@H](F)C1 F11661 [0,1,0,1,0,0|2,0,0]=4 346 B6R1.5 N[C@H]1C[C@H](F)C1 F14834 [0,1,0,1,0,0|2,0,0]=4 347 B6R1.5 N[C@H]1C[C@H](N)C1 C11441 [0,1,0,1,0,0|2,0,0]=4 348 B6R1.5 N[C@H]1C[C@H](N)C1 C11442 [0,1,0,1,0,0|2,0,0]=4 349 B6R1.5 N[C@H]1C[C@H](O)C1 A0712 [0,1,0,1,0,0|2,0,0]=4 350 B6R1.5 N[C@H]1C[C@H](O)C1 SB8170 [0,1,0,1,0,0|2,0,0]=4 351 B6R1.5 OC1CC(F)C1 F13605 [0,1,0,1,0,0|2,0,0]=4 352 B6R1.5 O[C@H]1C[C@@H](F)C1 F14837 [0,1,0,1,0,0|2,0,0]=4 353 B6R1.5 O[C@H]1C[C@H](F)C1 F11668 [0,1,0,1,0,0|2,0,0]=4 354 B6R1.9 CC1(C)C[C@@H]1Br B60254 [0,1,0,1,0,0|2,0,0]=4 355 B6R1.10 CC1(C)CNC1 D11454 [0,1,0,1,0,0|2,0,0]=4 356 B6R1.10 CC1(F)CNC1 F11719 [0,1,0,1,0,0|2,0,0]=4 357 B6R1.10 CC1(N)CCC1 M15665 [0,1,0,1,0,0|1,0,0]=3 358 B6R1.10 CC1(N)CCC1 M15666 [0,1,0,1,0,0|1,0,0]=3 359 B6R1.10 CC1(N)CCC1 M6467 [0,1,0,1,0,0|1,0,0]=3 360 B6R1.10 CC1(N)CNC1 A10361 [0,1,0,1,0,0|2,0,0]=4 361 B6R1.10 CC1(N)COC1 M5614 [0,1,0,1,0,0|2,0,0]=4 362 B6R1.10 CC1(N)COC1 M7167 [0,1,0,1,0,0|2,0,0]=4 363 B6R1.10 CC1(N)CSC1 M30085 [0,1,0,1,0,0|2,0,0]=4 364 B6R1.10 CC1(O)CNC1 H0307 [0,1,0,1,0,0|2,0,0]=4 365 B6R1.10 CC1(O)COC1 M6651 [0,1,0,1,0,0|2,0,0]=4 366 B6R1.10 CC1(O)CSC1 M29793 [0,1,0,1,0,0|2,0,0]=4 367 B6R1.11 C[C@@H](N)C1CC1 C61147 [0,1,0,1,0,0|1,0,0]=3 368 B6R1.11 C[C@H](N)C1CC1 C41318 [0,1,0,1,0,0|1,0,0]=3 369 B6R1.1 C1=CCNCC1 T0540 [0,1,0,1,0,0|1,0,1]=4 370 B6R1.1 C1=CCOCC1 D10810 [0,1,0,1,0,0|0,1,1]=4 371 B6R1.1 C1CCNCC1 P67647 [0,1,0,1,0,0|1,0,0]=3 372 B6R1.1 C1CCNNC1 H8288 [0,1,0,1,0,0|1,0,0]=3 373 B6R1.1 C1CCONC1 X13780 [0,1,0,1,0,0|0,1,0]=3 374 B6R1.1 C1CCONC1 X40342 [0,1,0,1,0,0|0,1,0]=3 375 B6R1.1 C1CNCOC1 X40263 [0,1,0,1,0,0|0,1,0]=3 376 B6R1.1 C1CSCCN1 T17901 [0,1,0,1,0,0|0,0,0]=2 377 B6R1.4 CC1NCC1F F21597 [0,1,0,1,0,0|1,0,0]=3 378 B6R1.4 C[C@@H]1NC[C@@H]1O M60046 [0,1,0,1,0,0|1,0,0]=3 379 B6R1.4 C[C@@H]1OCC1=O M61882 [0,1,0,1,0,0|0,1,1]=4 380 B6R1.4 C[C@H]1COC1=O M6342 [0,1,0,1,0,0|2,0,0]=4 381 B6R1.6 BrCC1COC1 B19169 [0,1,0,1,0,0|2,0,0]=4 382 B6R1.6 BrC[C@H]1CCO1 B0614 [0,1,0,1,0,0|0,1,0]=3 383 B6R1.6 CNC1CNC1 M1333 [0,1,0,1,0,0|2,0,0]=4 384 B6R1.6 CNC1COC1 M5690 [0,1,0,1,0,0|2,0,0]=4 385 B6R1.6 CN[C@@H]1CCN1 A7337 [0,1,0,1,0,0|1,0,0]=3 386 B6R1.6 COC1CNC1 M0107 [0,1,0,1,0,0|2,0,0]=4 387 B6R1.6 CSC1CNC1 M0303 [0,1,0,1,0,0|2,0,0]=4 388 B6R1.6 FCC1CNC1 F21648 [0,1,0,1,0,0|2,0,0]=4 389 B6R1.6 ICC1CCC1 I29708 [0,1,0,1,0,0|1,0,0]=3 390 B6R1.6 ICC1COC1 I6937 [0,1,0,1,0,0|2,0,0]=4 391 B6R1.6 IC[C@H]1CCO1 I6940 [0,1,0,1,0,0|0,1,0]=3 392 B6R1.6 N#CC1CCC1 C5653 [0,1,0,1,0,0|1,0,1]=4 393 B6R1.6 N#C[C@H]1CCN1 A60326 [0,1,0,1,0,0|1,0,1]=4 394 B6R1.6 NCC1CCC1 C0310 [0,1,0,1,0,0|1,0,0]=3 395 B6R1.6 NCC1CCC1 C1144 [0,1,0,1,0,0|1,0,0]=3 396 B6R1.6 NCC1CNC1 A13410 [0,1,0,1,0,0|2,0,0]=4 397 B6R1.6 NCC1COC1 O5691 [0,1,0,1,0,0|2,0,0]=4 398 B6R1.6 NCC1CSC1 T6978 [0,1,0,1,0,0|2,0,0]=4 399 B6R1.6 NC[C@H]1CCO1 X6187 [0,1,0,1,0,0|0,1,0]=3 400 B6R1.6 NNC1CCC1 C37776 [0,1,0,1,0,0|2,0,0]=4 401 B6R1.6 OCC1CCC1 C67424 [0,1,0,1,0,0|1,0,0]=3 402 B6R1.6 OCC1CNC1 A5874 [0,1,0,1,0,0|2,0,0]=4 403 B6R1.6 OCC1CNC1 H12177 [0,1,0,1,0,0|2,0,0]=4 404 B6R1.6 OCC1COC1 X6263 [0,1,0,1,0,0|2,0,0]=4 405 B6R1.6 OCC1CSC1 T20107 [0,1,0,1,0,0|2,0,0]=4 406 B6R1.6 OC[C@@H]1CCN1 A11256 [0,1,0,1,0,0|1,0,0]=3 407 B6R1.6 OC[C@H]1CCN1 A11255 [0,1,0,1,0,0|1,0,0]=3 408 B6R1.6 OC[C@H]1CCN1 A11257 [0,1,0,1,0,0|1,0,0]=3 409 B6R1.6 OC[C@H]1CCO1 X6188 [0,1,0,1,0,0|0,1,0]=3 410 B6R1.6 [Mg+]CC1CCC1 C5036 [0,1,0,1,0,0|1,0,0]=3 411 B6R1.7 CC1(CN)CC1 M41319 [0,1,0,1,0,0|2,0,0]=4 412 B6R1.7 CC1(CO)CC1 M29792 [0,1,0,1,0,0|2,0,0]=4 413 B6R1.7 CCC1(N)CC1 E29724 [0,1,0,1,0,0|1,0,0]=3 414 B6R1.7 NC1(CO)CC1 A1400 [0,1,0,1,0,0|2,0,0]=4 415 B6R1.7 NC1(CO)CC1 A16823 [0,1,0,1,0,0|2,0,0]=4 416 B6R1.7 NCC1(F)CC1 F60284 [0,1,0,1,0,0|2,0,0]=4 417 B6R1.7 NCC1(O)CC1 A13658 [0,1,0,1,0,0|2,0,0]=4