0 B5R0.3 C#CC(=O)OC P17723 [0,0,0,0,0,0|0,0,2]=2 1 B5R0.3 C=CC(=O)NC AB9590 [0,0,0,0,0,0|1,0,0]=1 2 B5R0.3 C=CC(O)C=C A10932 [0,0,0,0,0,0|1,0,3]=4 3 B5R0.3 C=C[C@@H](Cl)CCl D89774 [0,0,0,0,0,0|3,0,1]=4 4 B5R0.3 C=C[C@@H](O)CC F15421 [0,0,0,0,0,0|1,0,2]=3 5 B5R0.3 C=C[C@@H](O)CO D79949 [0,0,0,0,0,0|2,0,2]=4 6 B5R0.3 CCC(=N)NO 22901 [0,0,0,0,0,0|4,0,0]=4 7 B5R0.3 CCC(=O)CBr F10475 [0,0,0,0,0,0|2,0,1]=3 8 B5R0.3 CCC(=O)CO C75383 [0,0,0,0,0,0|2,0,1]=3 9 B5R0.3 CCC(=O)NC D91338 [0,0,0,0,0,0|1,0,2]=3 10 B5R0.3 CCC(=O)NN 20641 [0,0,0,0,0,0|3,0,0]=3 11 B5R0.3 CCS(=O)CC D81870 [0,0,0,0,0,0|2,0,2]=4 12 B5R0.3 CNC(=O)CBr H10939 [0,0,0,0,0,0|2,0,1]=3 13 B5R0.3 CNC(=O)CCl 28994 [0,0,0,0,0,0|2,0,1]=3 14 B5R0.3 CNC(=O)CN AC1534 [0,0,0,0,0,0|2,0,1]=3 15 B5R0.3 CNC(=O)CN FD21644 [0,0,0,0,0,0|2,0,1]=3 16 B5R0.3 CNC(=O)NC P17517 [0,0,0,0,0,0|2,0,1]=3 17 B5R0.3 CNC(=O)OC 29564 [0,0,0,0,0,0|1,0,1]=2 18 B5R0.3 CNC(=S)NC D97815 [0,0,0,0,0,0|2,1,1]=4 19 B5R0.3 CNC(=S)NN D77757 [0,0,0,0,0,0|3,1,0]=4 20 B5R0.3 COC(=O)CN 20047 [0,0,0,0,0,0|1,0,1]=2 21 B5R0.3 COC(=O)CO 39413 [0,0,0,0,0,0|1,0,1]=2 22 B5R0.3 COC(=O)NN P17509 [0,0,0,0,0,0|2,0,0]=2 23 B5R0.3 COC(=O)SCl D91417 [0,0,0,0,0,0|2,0,0]=2 24 B5R0.3 CON(C)C=O F11046 [0,0,0,0,0,0|3,0,0]=3 25 B5R0.3 CO[C@@H](C)CN 91004 [0,0,0,0,0,0|2,0,2]=4 26 B5R0.3 CO[C@@H](C)CO 29137 [0,0,0,0,0,0|2,0,2]=4 27 B5R0.3 CO[C@@H](C)CO 35966 [0,0,0,0,0,0|2,0,2]=4 28 B5R0.3 CSC(=N)NN S12387 [0,0,0,0,0,0|3,1,0]=4 29 B5R0.3 CSC(=O)SC D89996 [0,0,0,0,0,0|1,1,1]=3 30 B5R0.3 CS\C(C)=N\O A11022 [0,0,0,0,0,0|3,1,0]=4 31 B5R0.3 NNC(=O)CCl F15553 [0,0,0,0,0,0|3,0,1]=4 32 B5R0.3 NNC(=O)CO 71926 [0,0,0,0,0,0|3,0,1]=4 33 B5R0.3 O=C(CBr)CBr 60498 [0,0,0,0,0,0|3,0,1]=4 34 B5R0.3 O=C(CCl)CCl 73299 [0,0,0,0,0,0|3,0,1]=4 35 B5R0.3 O=C(CO)CO S12381 [0,0,0,0,0,0|3,0,1]=4 36 B4R0.1 C#CC(=O)O F10329 [1,0,0,0,0,0|0,0,2]=3 37 B4R0.1 C#CC(C)=O F52495 [1,0,0,0,0,0|0,0,2]=3 38 B4R0.1 C#CC(N)=O BL007595 [1,0,0,0,0,0|1,0,2]=4 39 B4R0.1 C=C(Br)CBr F15445 [1,0,0,0,0,0|3,0,0]=4 40 B4R0.1 C=C(Br)CO D84296 [1,0,0,0,0,0|3,0,0]=4 41 B4R0.1 C=C(C)C=O H10713 [1,0,0,0,0,0|2,0,0]=3 42 B4R0.1 C=C(C)CBr 29319 [1,0,0,0,0,0|2,0,1]=4 43 B4R0.1 C=C(C)CN 29496 [1,0,0,0,0,0|2,0,1]=4 44 B4R0.1 C=C(C)CO H10780 [1,0,0,0,0,0|2,0,1]=4 45 B4R0.1 C=C(Cl)CCl D97733 [1,0,0,0,0,0|3,0,0]=4 46 B4R0.1 C=CC(=O)[O-] D88317 [1,0,0,0,0,0|0,0,1]=2 47 B4R0.1 C=CC(=O)[O-] H10710 [1,0,0,0,0,0|0,0,1]=2 48 B4R0.1 C=C[C@H](C)O W13854 [1,0,0,0,0,0|0,0,2]=3 49 B4R0.1 C=NN(C)C T72047 [1,0,0,0,0,0|3,0,0]=4 50 B4R0.1 CC(=N)NO 74820 [1,0,0,0,0,0|3,0,0]=4 51 B4R0.1 CC(=O)CBr 76485 [1,0,0,0,0,0|1,0,1]=3 52 B4R0.1 CC(=O)CN 24448 [1,0,0,0,0,0|1,0,1]=3 53 B4R0.1 CC(=O)NBr 70825 [1,0,0,0,0,0|2,0,0]=3 54 B4R0.1 CC(=O)NN AB6005 [1,0,0,0,0,0|2,0,0]=3 55 B4R0.1 CC(=O)NO 78370 [1,0,0,0,0,0|2,0,0]=3 56 B4R0.1 CC(C)=CBr 29237 [1,0,0,0,0,0|2,0,0]=3 57 B4R0.1 CC(C)=NO D70154 [1,0,0,0,0,0|3,0,0]=4 58 B4R0.1 CCC(=N)N 65202 [1,0,0,0,0,0|3,0,0]=4 59 B4R0.1 CCC(N)=O O12053 [1,0,0,0,0,0|2,0,0]=3 60 B4R0.1 CCC(N)=S AT14776 [1,0,0,0,0,0|2,1,0]=4 61 B4R0.1 CC[S@](=O)[O-] F16489 [1,0,0,0,0,0|3,0,0]=4 62 B4R0.1 CN(C)C=S 70822 [1,0,0,0,0,0|3,0,0]=4 63 B4R0.1 CN=C(N)N D91522 [1,0,0,0,0,0|3,0,0]=4 64 B4R0.1 CNC(=N)N P16886 [1,0,0,0,0,0|3,0,0]=4 65 B4R0.1 CNC(=O)Cl D81983 [1,0,0,0,0,0|2,0,0]=3 66 B4R0.1 CNC(N)=O AC8061 [1,0,0,0,0,0|2,0,0]=3 67 B4R0.1 COC(=N)N F11253 [1,0,0,0,0,0|2,0,0]=3 68 B4R0.1 COC(=N)N F14927 [1,0,0,0,0,0|2,0,0]=3 69 B4R0.1 COC(=N)N I11503 [1,0,0,0,0,0|2,0,0]=3 70 B4R0.1 COC(Cl)Cl D87753 [1,0,0,0,0,0|2,0,1]=4 71 B4R0.1 COC(N)=O D86342 [1,0,0,0,0,0|1,0,0]=2 72 B4R0.1 COP(Cl)Cl D91399 [1,0,0,0,0,0|3,0,0]=4 73 B4R0.1 CSC(=N)N 20543 [1,0,0,0,0,0|2,1,0]=4 74 B4R0.1 CSC(=N)N E70432 [1,0,0,0,0,0|2,1,0]=4 75 B4R0.1 CSC(C)=O D82067 [1,0,0,0,0,0|0,1,1]=3 76 B4R0.1 C[N+](C)=CCl D89427 [1,0,0,0,0,0|3,0,0]=4 77 B4R0.1 C\C(N)=N\O 35620 [1,0,0,0,0,0|3,0,0]=4 78 B4R0.1 NC(=O)CBr 35276 [1,0,0,0,0,0|2,0,1]=4 79 B4R0.1 NC(=O)CI 25452 [1,0,0,0,0,0|2,0,1]=4 80 B4R0.1 NC(=O)CO D77798 [1,0,0,0,0,0|2,0,1]=4 81 B4R0.1 NC(=O)NO A10546 [1,0,0,0,0,0|3,0,0]=4 82 B4R0.1 NCC(=O)O D70890 [1,0,0,0,0,0|1,0,1]=3 83 B4R0.1 NCC(=O)O F21278 [1,0,0,0,0,0|1,0,1]=3 84 B4R0.1 NCC(=O)[O-] D70403 [1,0,0,0,0,0|1,0,2]=4 85 B4R0.1 NCC(=O)[O-] D77927 [1,0,0,0,0,0|1,0,2]=4 86 B4R0.1 NCC(=O)[O-] D84274 [1,0,0,0,0,0|1,0,2]=4 87 B4R0.1 NCC(=O)[O-] D95398 [1,0,0,0,0,0|1,0,2]=4 88 B4R0.1 NCC(N)=O 20652 [1,0,0,0,0,0|2,0,1]=4 89 B4R0.1 NCC(N)=O 58529 [1,0,0,0,0,0|2,0,1]=4 90 B4R0.1 NNC(N)=O D95915 [1,0,0,0,0,0|3,0,0]=4 91 B4R0.1 O=C(Cl)CBr D87897 [1,0,0,0,0,0|2,0,1]=4 92 B4R0.1 O=C(Cl)SCl D89346 [1,0,0,0,0,0|2,1,0]=4 93 B4R0.1 O=C(O)CO D78078 [1,0,0,0,0,0|1,0,1]=3 94 B4R0.1 O=CC(=O)O D70821 [1,0,0,0,0,0|1,0,0]=2 95 B4R0.1 O=CC(=O)O F14188 [1,0,0,0,0,0|1,0,0]=2 96 B4R0.2 C#CCOC AT19953 [1,0,0,0,0,0|0,0,3]=4 97 B4R0.2 C=CCCBr D78125 [1,0,0,0,0,0|2,0,1]=4 98 B4R0.2 C=CCCC FD10489 [1,0,0,0,0,0|1,0,1]=3 99 B4R0.2 C=CCCCl 43989 [1,0,0,0,0,0|2,0,1]=4 100 B4R0.2 C=CCCN 68196 [1,0,0,0,0,0|2,0,1]=4 101 B4R0.2 C=CCCO P16638 [1,0,0,0,0,0|2,0,1]=4 102 B4R0.2 C=CCNC F21270 [1,0,0,0,0,0|1,0,1]=3 103 B4R0.2 C=CCNN 72911 [1,0,0,0,0,0|2,0,1]=4 104 B4R0.2 C=CCOC D88491 [1,0,0,0,0,0|0,0,1]=2 105 B4R0.2 C=CCON 77603 [1,0,0,0,0,0|1,0,1]=3 106 B4R0.2 C=CCSC D88380 [1,0,0,0,0,0|0,1,1]=3 107 B4R0.2 C=COCC P19610 [1,0,0,0,0,0|2,0,0]=3 108 B4R0.2 CCNC=O F19558 [1,0,0,0,0,0|3,0,0]=4 109 B4R0.2 CCNOC D80678 [1,0,0,0,0,0|1,0,2]=4 110 B4R0.2 COCC#N 35354 [1,0,0,0,0,0|1,0,2]=4 111 B4R0.2 COCCBr P19803 [1,0,0,0,0,0|1,0,2]=4 112 B4R0.2 COCCN F14847 [1,0,0,0,0,0|1,0,2]=4 113 B4R0.2 C\C=C/CC D91891 [1,0,0,0,0,0|1,0,1]=3 114 B4R0.2 C\C=C\OC 28751 [1,0,0,0,0,0|0,0,1]=2 115 B4R0.2 Cl\C=C\CCl A11332 [1,0,0,0,0,0|3,0,0]=4 116 B6R0.1 C#CC(=O)OCC 35931 [0,1,0,0,0,0|0,0,2]=3 117 B6R0.1 C=CC(=O)NCC AB9195 [0,1,0,0,0,0|1,0,0]=2 118 B6R0.1 C=CCC(=O)OC F15018 [0,1,0,0,0,0|0,0,0]=1 119 B6R0.1 C=COC(=O)CCl D95397 [0,1,0,0,0,0|2,0,0]=3 120 B6R0.1 C=C[C@@H](O)CCC D90922 [0,1,0,0,0,0|1,0,2]=4 121 B6R0.1 CC#CC(=O)OC D73343 [0,1,0,0,0,0|0,0,2]=3 122 B6R0.1 CCC(=O)CC#N 28991 [0,1,0,0,0,0|1,0,2]=4 123 B6R0.1 CCCC(=O)CC D90801 [0,1,0,0,0,0|1,0,2]=4 124 B6R0.1 CCCC(=O)NN O11707 [0,1,0,0,0,0|3,0,0]=4 125 B6R0.1 CCCC(=O)SC D91533 [0,1,0,0,0,0|0,1,2]=4 126 B6R0.1 CCOC(=N)CC W15737 [0,1,0,0,0,0|1,0,2]=4 127 B6R0.1 CCOC(=O)CN C93496 [0,1,0,0,0,0|1,0,1]=3 128 B6R0.1 CCOC(=O)CO 39380 [0,1,0,0,0,0|1,0,1]=3 129 B6R0.1 CCOC(=O)CS F21271 [0,1,0,0,0,0|1,0,1]=3 130 B6R0.1 CCOC(=O)NC D91332 [0,1,0,0,0,0|1,0,1]=3 131 B6R0.1 CCOC(=O)NN D77690 [0,1,0,0,0,0|2,0,0]=3 132 B6R0.1 CCOC(=O)OC A11149 [0,1,0,0,0,0|0,0,2]=3 133 B6R0.1 CCO\C(C)=N\O 23036 [0,1,0,0,0,0|3,0,0]=4 134 B6R0.1 CCO\C(C)=N\O H10740 [0,1,0,0,0,0|3,0,0]=4 135 B6R0.1 CNC(=O)CC#N 23669 [0,1,0,0,0,0|1,0,2]=4 136 B6R0.1 CNCC(=O)NC 71568 [0,1,0,0,0,0|1,0,2]=4 137 B6R0.1 CNCC(=O)OC 73733 [0,1,0,0,0,0|0,0,2]=3 138 B6R0.1 COC(=O)C#CBr O11909 [0,1,0,0,0,0|0,0,2]=3 139 B6R0.1 COC(=O)CC#N D77797 [0,1,0,0,0,0|0,0,2]=3 140 B6R0.1 COC(=O)CCBr AB7483 [0,1,0,0,0,0|0,0,2]=3 141 B6R0.1 COC(=O)CCCl D95821 [0,1,0,0,0,0|0,0,2]=3 142 B6R0.1 COC(=O)CCN S12362 [0,1,0,0,0,0|0,0,2]=3 143 B6R0.1 COC(=O)CCO 29940 [0,1,0,0,0,0|0,0,2]=3 144 B6R0.1 COC(=O)CCS D70327 [0,1,0,0,0,0|0,0,2]=3 145 B6R0.1 COC(=O)CSC D87959 [0,1,0,0,0,0|0,0,2]=3 146 B6R0.1 COC(=O)\C=C/I C75918 [0,1,0,0,0,0|0,0,0]=1 147 B6R0.1 COCC(=O)NN F14662 [0,1,0,0,0,0|2,0,0]=3 148 B6R0.1 CONC(=O)OC D81547 [0,1,0,0,0,0|1,0,1]=3 149 B6R0.1 C\C=C\C(=O)CC 74326 [0,1,0,0,0,0|1,0,0]=2 150 B6R0.1 O=C(CCl)NCO O10755 [0,1,0,0,0,0|2,0,1]=4 151 B6R0.1 [C-]#[N+]CC(=O)OC 29044 [0,1,0,0,0,0|0,0,2]=3 152 B6R0.3 C#CC(=O)N(C)C D93417 [0,1,0,0,0,0|1,0,2]=4 153 B6R0.3 C=C(Br)C(=O)OC 20801 [0,1,0,0,0,0|0,0,0]=1 154 B6R0.3 C=C(Cl)C(=O)OC AB9663 [0,1,0,0,0,0|0,0,0]=1 155 B6R0.3 C=C(F)C(=O)OC 35790 [0,1,0,0,0,0|0,0,0]=1 156 B6R0.3 C=CC(=O)N(C)C D70136 [0,1,0,0,0,0|1,0,0]=2 157 B6R0.3 C=CC(=O)N(C)C D78231 [0,1,0,0,0,0|1,0,0]=2 158 B6R0.3 C=CN(C)C(C)=O D78236 [0,1,0,0,0,0|3,0,0]=4 159 B6R0.3 CC(=O)C(=O)CBr 23277 [0,1,0,0,0,0|2,0,1]=4 160 B6R0.3 CC(C)C(=O)CBr 24581 [0,1,0,0,0,0|2,0,1]=4 161 B6R0.3 CC(C)C(=O)NN 71035 [0,1,0,0,0,0|3,0,0]=4 162 B6R0.3 CCC(=O)C(=O)O O10846 [0,1,0,0,0,0|2,0,0]=3 163 B6R0.3 CCC(=O)C(=O)[O-] TD8090 [0,1,0,0,0,0|2,0,0]=3 164 B6R0.3 CCC(=O)N(C)C A10841 [0,1,0,0,0,0|1,0,2]=4 165 B6R0.3 CCC(=O)[C@H](C)Br T71350 [0,1,0,0,0,0|1,0,2]=4 166 B6R0.3 CN(C)C(=O)CBr 36126 [0,1,0,0,0,0|2,0,1]=4 167 B6R0.3 CN(C)C(=O)CCl 28569 [0,1,0,0,0,0|2,0,1]=4 168 B6R0.3 CN(C)C(=O)CN 24099 [0,1,0,0,0,0|2,0,1]=4 169 B6R0.3 CN(C)C(=O)CN S10593 [0,1,0,0,0,0|2,0,1]=4 170 B6R0.3 CN(C)C(=O)CO C77616 [0,1,0,0,0,0|2,0,1]=4 171 B6R0.3 CNC(=O)C(=O)O W11373 [0,1,0,0,0,0|2,0,0]=3 172 B6R0.3 COC(=O)C(=N)N 71857 [0,1,0,0,0,0|1,0,0]=2 173 B6R0.3 COC(=O)C(=O)Cl 28805 [0,1,0,0,0,0|1,0,0]=2 174 B6R0.3 COC(=O)C(=O)[O-] S12240 [0,1,0,0,0,0|1,0,0]=2 175 B6R0.3 COC(=O)C(F)F D91567 [0,1,0,0,0,0|1,0,1]=3 176 B6R0.3 COC(=O)[C@H](C)Cl 63239 [0,1,0,0,0,0|0,0,2]=3 177 B6R0.3 COC(=O)[C@H](C)Cl O10227 [0,1,0,0,0,0|0,0,2]=3 178 B6R0.3 COC(=O)[C@H](C)N AB10084 [0,1,0,0,0,0|0,0,2]=3 179 B6R0.3 COC(=O)[C@H](C)N AC7812 [0,1,0,0,0,0|0,0,2]=3 180 B6R0.3 COC(=O)[C@H](C)N FD21010 [0,1,0,0,0,0|0,0,2]=3 181 B6R0.3 COC(=O)[C@H](C)O C10549 [0,1,0,0,0,0|0,0,2]=3 182 B6R0.3 COC(=O)[C@H](C)O F11215 [0,1,0,0,0,0|0,0,2]=3 183 B6R0.3 CON(C)C(=O)Cl D91579 [0,1,0,0,0,0|3,0,0]=4 184 B6R0.3 CON(C)C(C)=O O12025 [0,1,0,0,0,0|2,0,1]=4 185 B6R0.3 CO[C@@H](C)C(=O)O 25435 [0,1,0,0,0,0|2,0,1]=4 186 B6R0.3 CO[C@@H](C)C(=O)O 77786 [0,1,0,0,0,0|2,0,1]=4 187 B6R0.3 CO[C@@H](C)C(=O)O CS1158 [0,1,0,0,0,0|2,0,1]=4 188 B6R0.3 C\C=C(/C)C(=O)Cl F11166 [0,1,0,0,0,0|3,0,0]=4 189 B6R0.3 C\C=C(/C)C(=O)O D78012 [0,1,0,0,0,0|3,0,0]=4 190 B6R0.3 C\C=C(\C)C(=O)O 11732 [0,1,0,0,0,0|3,0,0]=4 191 B6R0.3 NNC(=O)C(N)=O H10734 [0,1,0,0,0,0|3,0,0]=4 192 B6R0.3 O=C(O)C(=O)CBr 21724 [0,1,0,0,0,0|3,0,0]=4 193 B6R0.8 C=CS(=O)(=O)C=C AT13126 [0,1,0,0,0,0|2,0,1]=4 194 B6R0.8 C=CS(=O)(=O)CC D94604 [0,1,0,0,0,0|2,0,0]=3 195 B6R0.8 CCS(=O)(=O)OC A10853 [0,1,0,0,0,0|1,0,2]=4 196 B6R0.9 C=CC(OC)OC A10988 [0,1,0,0,0,0|0,0,2]=3 197 B6R0.9 COC(C=O)OC D70286 [0,1,0,0,0,0|1,0,2]=4 198 B6R1.2 BrC1=CC=CO1 29495 [0,0,0,1,0,0|1,0,1]=3 199 B6R1.2 BrC1=CC=CS1 D77872 [0,0,0,1,0,0|1,1,1]=4 200 B6R1.2 BrC1=CC=NN1 37887 [0,0,0,1,0,0|3,0,0]=4 201 B6R1.2 BrC1=COC=C1 35018 [0,0,0,1,0,0|3,0,0]=4 202 B6R1.2 BrC1=CSC=C1 P20051 [0,0,0,1,0,0|3,0,0]=4 203 B6R1.2 BrC1=NNC=C1 23843 [0,0,0,1,0,0|3,0,0]=4 204 B6R1.2 BrC1=NOC=C1 F13554 [0,0,0,1,0,0|3,0,0]=4 205 B6R1.2 CC1=CC=CS1 F10310 [0,0,0,1,0,0|1,1,1]=4 206 B6R1.2 CC1=CC=NN1 FD18008 [0,0,0,1,0,0|3,0,0]=4 207 B6R1.2 CC1=CC=NO1 F14932 [0,0,0,1,0,0|2,0,0]=3 208 B6R1.2 CC1=CCC=C1 F13190 [0,0,0,1,0,0|2,0,0]=3 209 B6R1.2 CC1=CSC=C1 28845 [0,0,0,1,0,0|3,0,0]=4 210 B6R1.2 CC1=NCCO1 F16112 [0,0,0,1,0,0|2,0,1]=4 211 B6R1.2 ClC1=CC=CS1 F10317 [0,0,0,1,0,0|1,1,1]=4 212 B6R1.2 ClC1=CC=NN1 27119 [0,0,0,1,0,0|3,0,0]=4 213 B6R1.2 ClC1=CSC=C1 75806 [0,0,0,1,0,0|3,0,0]=4 214 B6R1.2 IC1=CC=CS1 20438 [0,0,0,1,0,0|1,1,1]=4 215 B6R1.2 IC1=CC=NN1 33948 [0,0,0,1,0,0|3,0,0]=4 216 B6R1.2 IC1=CSC=C1 35429 [0,0,0,1,0,0|3,0,0]=4 217 B6R1.2 IC1=NNC=C1 24468 [0,0,0,1,0,0|3,0,0]=4 218 B6R1.2 NC1=CC=NN1 78618 [0,0,0,1,0,0|3,0,0]=4 219 B6R1.2 NC1=CSC=C1 37334 [0,0,0,1,0,0|3,0,0]=4 220 B6R1.2 NC1=CSC=C1 CX1088 [0,0,0,1,0,0|3,0,0]=4 221 B6R1.2 NC1=CSC=C1 D78123 [0,0,0,1,0,0|3,0,0]=4 222 B6R1.2 NC1=NC=CO1 52234 [0,0,0,1,0,0|2,0,1]=4 223 B6R1.2 NC1=NNC=C1 38175 [0,0,0,1,0,0|3,0,0]=4 224 B6R1.2 NC1=NOC=C1 37672 [0,0,0,1,0,0|3,0,0]=4 225 B6R1.2 O=C1C=CCC1 23169 [0,0,0,1,0,0|1,0,0]=2 226 B6R1.2 O=C1C=CCO1 20453 [0,0,0,1,0,0|0,0,0]=1 227 B6R1.2 O=C1C=CNN1 F30274 [0,0,0,1,0,0|2,0,0]=3 228 B6R1.2 O=C1C=CSN1 BL007960 [0,0,0,1,0,0|2,0,0]=3 229 B6R1.2 O=C1CC=CC1 68366 [0,0,0,1,0,0|1,0,2]=4 230 B6R1.2 O=C1CC=NN1 26372 [0,0,0,1,0,0|2,0,1]=4 231 B6R1.2 O=C1CCCN1 D95709 [0,0,0,1,0,0|1,0,2]=4 232 B6R1.2 O=C1CCCN1 D96808 [0,0,0,1,0,0|1,0,2]=4 233 B6R1.2 O=C1CCNC1 65410 [0,0,0,1,0,0|2,0,1]=4 234 B6R1.2 O=C1CCNN1 F15485 [0,0,0,1,0,0|3,0,0]=4 235 B6R1.2 O=C1CCOC1 28102 [0,0,0,1,0,0|2,0,1]=4 236 B6R1.2 O=C1CCSC1 37995 [0,0,0,1,0,0|2,0,1]=4 237 B6R1.2 O=C1N=CNN1 28965 [0,0,0,1,0,0|3,0,0]=4 238 B6R1.2 O=C1NC=CN1 SC3451 [0,0,0,1,0,0|2,0,1]=4 239 B6R1.2 O=C1NCCN1 D71145 [0,0,0,1,0,0|2,0,1]=4 240 B6R1.2 O=C1NCCO1 C93484 [0,0,0,1,0,0|1,0,1]=3 241 B6R1.2 O=C1NCCS1 35133 [0,0,0,1,0,0|1,1,1]=4 242 B6R1.2 O=C1OC=CO1 28756 [0,0,0,1,0,0|1,0,1]=3 243 B6R1.2 O=C1OCCO1 D72525 [0,0,0,1,0,0|1,0,1]=3 244 B6R1.2 O=S1OCCO1 AC7916 [0,0,0,1,0,0|2,0,1]=4 245 B6R1.2 OC1=CC=NN1 S10713 [0,0,0,1,0,0|2,0,1]=4 246 B6R1.2 S=C1NCCO1 79469 [0,0,0,1,0,0|1,1,1]=4 247 B6R1.2 [Fe]C1=CC=CC1 D78443 [0,0,0,1,0,0|2,0,1]=4 248 B6R1.7 C=C[C@]1(C)CO1 11393 [0,0,0,1,0,0|1,0,1]=3 249 B3R0.1 Br\C=C/Br D89611 [2,0,0,0,0,0|2,0,0]=4 250 B3R0.1 C=CCC F17161 [2,0,0,0,0,0|0,0,1]=3 251 B3R0.1 C=CCI D78530 [2,0,0,0,0,0|1,0,1]=4 252 B3R0.1 C=CC[Pd+] F10003 [2,0,0,0,0,0|1,0,1]=4 253 B3R0.1 CNOC 60204 [2,0,0,0,0,0|1,0,1]=4 254 B3R0.1 COCBr D78328 [2,0,0,0,0,0|1,0,1]=4 255 B3R0.1 C\C=N\O F13401 [2,0,0,0,0,0|1,0,1]=4 256 B3R0.1 Cl\C=C\Cl H11307 [2,0,0,0,0,0|2,0,0]=4 257 B3R0.1 NNC=O F11944 [2,0,0,0,0,0|2,0,0]=4 258 B3R0.2 C=C(C)Br 28419 [2,0,0,0,0,0|1,0,0]=3 259 B3R0.2 C=[N+](C)C D89898 [2,0,0,0,0,0|2,0,0]=4 260 B3R0.2 CC(=O)O 29388 [2,0,0,0,0,0|0,0,1]=3 261 B3R0.2 CC(=O)O C90337 [2,0,0,0,0,0|0,0,1]=3 262 B3R0.2 CC(=O)S D92569 [2,0,0,0,0,0|1,0,0]=3 263 B3R0.2 CC(=O)[O-] 35848 [2,0,0,0,0,0|1,0,0]=3 264 B3R0.2 CC(=O)[O-] AC2542 [2,0,0,0,0,0|1,0,0]=3 265 B3R0.2 CC(=O)[O-] AC2625 [2,0,0,0,0,0|1,0,0]=3 266 B3R0.2 CC(=O)[O-] D70070 [2,0,0,0,0,0|1,0,0]=3 267 B3R0.2 CC(=O)[O-] D74466 [2,0,0,0,0,0|1,0,0]=3 268 B3R0.2 CC(=O)[O-] D74596 [2,0,0,0,0,0|1,0,0]=3 269 B3R0.2 CC(=O)[O-] D77673 [2,0,0,0,0,0|1,0,0]=3 270 B3R0.2 CC(=O)[O-] D77909 [2,0,0,0,0,0|1,0,0]=3 271 B3R0.2 CC(=O)[O-] D78215 [2,0,0,0,0,0|1,0,0]=3 272 B3R0.2 CC(=O)[O-] D78216 [2,0,0,0,0,0|1,0,0]=3 273 B3R0.2 CC(=O)[O-] D81958 [2,0,0,0,0,0|1,0,0]=3 274 B3R0.2 CC(=O)[O-] D84280 [2,0,0,0,0,0|1,0,0]=3 275 B3R0.2 CC(=O)[O-] D88447 [2,0,0,0,0,0|1,0,0]=3 276 B3R0.2 CC(=O)[O-] D91230 [2,0,0,0,0,0|1,0,0]=3 277 B3R0.2 CC(=O)[O-] D95368 [2,0,0,0,0,0|1,0,0]=3 278 B3R0.2 CC(=O)[O-] D95676 [2,0,0,0,0,0|1,0,0]=3 279 B3R0.2 CC(=O)[O-] D95836 [2,0,0,0,0,0|1,0,0]=3 280 B3R0.2 CC(=O)[O-] D95949 [2,0,0,0,0,0|1,0,0]=3 281 B3R0.2 CC(=O)[O-] D95967 [2,0,0,0,0,0|1,0,0]=3 282 B3R0.2 CC(=O)[O-] D95970 [2,0,0,0,0,0|1,0,0]=3 283 B3R0.2 CC(=O)[O-] D97851 [2,0,0,0,0,0|1,0,0]=3 284 B3R0.2 CC(=O)[O-] E70002 [2,0,0,0,0,0|1,0,0]=3 285 B3R0.2 CC(=O)[O-] H10718 [2,0,0,0,0,0|1,0,0]=3 286 B3R0.2 CC(N)=S D70870 [2,0,0,0,0,0|1,1,0]=4 287 B3R0.2 C[PH](C)=O 20677 [2,0,0,0,0,0|1,0,1]=4 288 B3R0.2 C[S@](=O)[O-] 35930 [2,0,0,0,0,0|2,0,0]=4 289 B3R0.2 NC(N)=O D70446 [2,0,0,0,0,0|2,0,0]=4 290 B3R0.2 O=C(O)O D78214 [2,0,0,0,0,0|1,0,0]=3 291 B3R0.2 O=C([O-])[O-] 29292 [2,0,0,0,0,0|1,0,1]=4 292 B3R0.2 O=C([O-])[O-] AC2635 [2,0,0,0,0,0|1,0,1]=4 293 B3R0.2 O=C([O-])[O-] D95733 [2,0,0,0,0,0|1,0,1]=4 294 B3R0.2 O=C([O-])[O-] H12045 [2,0,0,0,0,0|1,0,1]=4 295 B5R0.1 C#CCC(=O)O F14007 [1,1,0,0,0,0|0,0,2]=4 296 B5R0.1 C=C(C)CCBr 80247 [1,1,0,0,0,0|2,0,0]=4 297 B5R0.1 C=C(C)OCC 78535 [1,1,0,0,0,0|1,0,0]=3 298 B5R0.1 C=CCC(=O)O H10768 [1,1,0,0,0,0|0,0,0]=2 299 B5R0.1 C=CCN(C)C D89797 [1,1,0,0,0,0|2,0,0]=4 300 B5R0.1 C=CC[C@H](C)O D92157 [1,1,0,0,0,0|0,0,2]=4 301 B5R0.1 C=CNC(C)=O D92786 [1,1,0,0,0,0|0,0,0]=2 302 B5R0.1 C=NCC(N)=O D97705 [1,1,0,0,0,0|1,0,1]=4 303 B5R0.1 CC#CC(=O)O 66664 [1,1,0,0,0,0|0,0,2]=4 304 B5R0.1 CC(=O)CC#N 88909 [1,1,0,0,0,0|0,0,2]=4 305 B5R0.1 CC(=O)CCCl F20480 [1,1,0,0,0,0|0,0,2]=4 306 B5R0.1 CC(=O)CCO 55787 [1,1,0,0,0,0|0,0,2]=4 307 B5R0.1 CC(=O)NCO FD10622 [1,1,0,0,0,0|1,0,1]=4 308 B5R0.1 CC(=O)OCBr A12670 [1,1,0,0,0,0|0,0,1]=3 309 B5R0.1 CC(=O)OCCl D78132 [1,1,0,0,0,0|0,0,1]=3 310 B5R0.1 CC(=O)\C=N\O D72887 [1,1,0,0,0,0|1,0,0]=3 311 B5R0.1 CC(C)=CC=O 23180 [1,1,0,0,0,0|1,0,0]=3 312 B5R0.1 CC(C)=CCBr 75658 [1,1,0,0,0,0|1,0,1]=4 313 B5R0.1 CC(C)=CCO F20316 [1,1,0,0,0,0|1,0,1]=4 314 B5R0.1 CC=C[C@H](C)O D84201 [1,1,0,0,0,0|0,0,2]=4 315 B5R0.1 CCCC(=O)[O-] D84277 [1,1,0,0,0,0|2,0,0]=4 316 B5R0.1 CCCC(N)=O D70204 [1,1,0,0,0,0|2,0,0]=4 317 B5R0.1 CCNC(C)=O AC2513 [1,1,0,0,0,0|0,0,2]=4 318 B5R0.1 CCNC(N)=O D95291 [1,1,0,0,0,0|2,0,0]=4 319 B5R0.1 CCOC(=S)[S-] D78138 [1,1,0,0,0,0|1,1,0]=4 320 B5R0.1 CCOC(=S)[S-] D90455 [1,1,0,0,0,0|1,1,0]=4 321 B5R0.1 CCOC(C)=N D70134 [1,1,0,0,0,0|1,0,1]=4 322 B5R0.1 CCOC(N)=O F21294 [1,1,0,0,0,0|1,0,0]=3 323 B5R0.1 CCSC(C)=O H11301 [1,1,0,0,0,0|0,0,2]=4 324 B5R0.1 CNCC(=O)O 73735 [1,1,0,0,0,0|0,0,2]=4 325 B5R0.1 CNCC(=O)O AC7804 [1,1,0,0,0,0|0,0,2]=4 326 B5R0.1 CNCC(N)=O A11560 [1,1,0,0,0,0|2,0,0]=4 327 B5R0.1 COCC(=N)N 20309 [1,1,0,0,0,0|2,0,0]=4 328 B5R0.1 COCC(=O)Cl D78222 [1,1,0,0,0,0|1,0,0]=3 329 B5R0.1 COCC(=O)O D77874 [1,1,0,0,0,0|1,0,0]=3 330 B5R0.1 COCC(C)=O D91400 [1,1,0,0,0,0|0,0,1]=3 331 B5R0.1 COCC(N)=O F20983 [1,1,0,0,0,0|1,0,0]=3 332 B5R0.1 CSCC(=O)O F15988 [1,1,0,0,0,0|0,0,2]=4 333 B5R0.1 CSCC(N)=O 23231 [1,1,0,0,0,0|1,1,0]=4 334 B5R0.1 C[Si](C)\C=C\Cl D89369 [1,1,0,0,0,0|1,1,0]=4 335 B5R0.1 C\C(N)=C/C#N F19804 [1,1,0,0,0,0|1,0,1]=4 336 B5R0.1 C\C=C\B(O)O I12778 [1,1,0,0,0,0|1,0,1]=4 337 B5R0.1 C\C=C\C(=O)Cl D78102 [1,1,0,0,0,0|1,0,0]=3 338 B5R0.1 C\C=C\C(=O)Cl F20351 [1,1,0,0,0,0|1,0,0]=3 339 B5R0.1 C\C=C\C(=O)O RB8002 [1,1,0,0,0,0|0,0,0]=2 340 B5R0.1 C\C=C\C(C)=O F17125 [1,1,0,0,0,0|0,0,0]=2 341 B5R0.1 N#CCC(=O)O P20002 [1,1,0,0,0,0|0,0,2]=4 342 B5R0.1 NC(=O)CCBr C16124 [1,1,0,0,0,0|2,0,0]=4 343 B5R0.1 NCCC(N)=O F13534 [1,1,0,0,0,0|2,0,0]=4 344 B5R0.1 NOCC(=O)O H11929 [1,1,0,0,0,0|1,0,1]=4 345 B5R0.1 O=C(Cl)CCBr D88890 [1,1,0,0,0,0|2,0,0]=4 346 B5R0.1 O=C(Cl)OCCl H11933 [1,1,0,0,0,0|1,0,0]=3 347 B5R0.1 O=C(O)CCBr P17146 [1,1,0,0,0,0|0,0,2]=4 348 B5R0.1 O=C(O)CCF 71324 [1,1,0,0,0,0|0,0,2]=4 349 B5R0.1 O=C(O)CCI D91073 [1,1,0,0,0,0|0,0,2]=4 350 B5R0.1 O=C(O)CCO 77998 [1,1,0,0,0,0|0,0,2]=4 351 B5R0.1 O=C(O)CCS AT21041 [1,1,0,0,0,0|0,0,2]=4 352 B5R0.1 O=C(O)\C=C/Cl H10108 [1,1,0,0,0,0|0,0,0]=2 353 B5R0.4 C=CC(C)(C)C D89799 [1,1,0,0,0,0|1,0,1]=4 354 B5R0.4 C=CP(=O)(O)O AC8342 [1,1,0,0,0,0|1,0,0]=3 355 B5R0.4 C=CS(C)(=O)=O D95725 [1,1,0,0,0,0|1,0,0]=3 356 B5R0.4 C=C[Si](C)(C)C 76807 [1,1,0,0,0,0|1,1,0]=4 357 B5R0.4 COP(=O)(Cl)Cl D91398 [1,1,0,0,0,0|2,0,0]=4 358 B5R0.4 COS(=O)(=O)[O-] D91331 [1,1,0,0,0,0|2,0,0]=4 359 B5R0.4 COS(C)(=O)=O C10631 [1,1,0,0,0,0|1,0,1]=4 360 B5R0.5 C=C(Br)C(=O)O AB10359 [1,1,0,0,0,0|0,0,0]=2 361 B5R0.5 C=C(C)C(=C)C F14891 [1,1,0,0,0,0|1,0,0]=3 362 B5R0.5 C=C(C)C(=O)[O-] F16474 [1,1,0,0,0,0|0,0,1]=3 363 B5R0.5 C=C(Cl)C(=O)O D93171 [1,1,0,0,0,0|0,0,0]=2 364 B5R0.5 C=C(F)C(=O)O 29128 [1,1,0,0,0,0|0,0,0]=2 365 B5R0.5 CC(=O)C(=O)[O-] D77796 [1,1,0,0,0,0|1,0,0]=3 366 B5R0.5 CC(=O)C(=O)[O-] D97786 [1,1,0,0,0,0|1,0,0]=3 367 B5R0.5 CC(=O)C(=O)[O-] H10783 [1,1,0,0,0,0|1,0,0]=3 368 B5R0.5 CC(=O)C(=O)[O-] H11289 [1,1,0,0,0,0|1,0,0]=3 369 B5R0.5 CC(=O)C(C)=O W18292 [1,1,0,0,0,0|0,0,1]=3 370 B5R0.5 CC(=O)C(F)F AC1257 [1,1,0,0,0,0|1,0,1]=4 371 B5R0.5 CC(=O)N(C)C D88939 [1,1,0,0,0,0|1,0,1]=4 372 B5R0.5 CC(=O)[C@H](C)Br AT12822 [1,1,0,0,0,0|0,0,2]=4 373 B5R0.5 CC(=O)[C@H](C)S D91540 [1,1,0,0,0,0|0,0,2]=4 374 B5R0.5 CC(C)=C(C)Br F16090 [1,1,0,0,0,0|1,0,1]=4 375 B5R0.5 CC(C)C(=O)[O-] D91080 [1,1,0,0,0,0|2,0,0]=4 376 B5R0.5 CC(C)C(N)=O 28439 [1,1,0,0,0,0|2,0,0]=4 377 B5R0.5 CC(O)C(=O)[O-] F16480 [1,1,0,0,0,0|2,0,0]=4 378 B5R0.5 CN(C)C(N)=O D89723 [1,1,0,0,0,0|2,0,0]=4 379 B5R0.5 C[C@H](Br)C(=O)Br 13146 [1,1,0,0,0,0|2,0,0]=4 380 B5R0.5 C[C@H](Br)C(=O)Cl D89048 [1,1,0,0,0,0|2,0,0]=4 381 B5R0.5 C[C@H](Br)C(=O)O 70715 [1,1,0,0,0,0|0,0,2]=4 382 B5R0.5 C[C@H](Br)C(=O)O H10882 [1,1,0,0,0,0|0,0,2]=4 383 B5R0.5 C[C@H](Br)C(N)=O D71122 [1,1,0,0,0,0|2,0,0]=4 384 B5R0.5 C[C@H](Cl)C(=O)Cl W13261 [1,1,0,0,0,0|2,0,0]=4 385 B5R0.5 C[C@H](Cl)C(=O)O 36674 [1,1,0,0,0,0|0,0,2]=4 386 B5R0.5 C[C@H](Cl)C(=O)O F16436 [1,1,0,0,0,0|0,0,2]=4 387 B5R0.5 C[C@H](F)C(=O)O N12158 [1,1,0,0,0,0|0,0,2]=4 388 B5R0.5 C[C@H](N)C(=O)O 30773 [1,1,0,0,0,0|0,0,2]=4 389 B5R0.5 C[C@H](N)C(=O)O C75806 [1,1,0,0,0,0|0,0,2]=4 390 B5R0.5 C[C@H](N)C(=O)O D72543 [1,1,0,0,0,0|0,0,2]=4 391 B5R0.5 C[C@H](N)C(=O)O D84362 [1,1,0,0,0,0|0,0,2]=4 392 B5R0.5 C[C@H](N)C(N)=O 23091 [1,1,0,0,0,0|2,0,0]=4 393 B5R0.5 C[C@H](N)C(N)=O 30751 [1,1,0,0,0,0|2,0,0]=4 394 B5R0.5 C[C@H](N)C(N)=O 30913 [1,1,0,0,0,0|2,0,0]=4 395 B5R0.5 C[C@H](N)C(N)=O 34538 [1,1,0,0,0,0|2,0,0]=4 396 B5R0.5 C[C@H](O)C(=O)O D71144 [1,1,0,0,0,0|0,0,2]=4 397 B5R0.5 C[C@H](O)C(=O)O F14892 [1,1,0,0,0,0|0,0,2]=4 398 B5R0.5 C[C@H](O)C(=O)[O-] D91256 [1,1,0,0,0,0|2,0,0]=4 399 B5R0.5 C[C@H](O)C(=O)[O-] H11285 [1,1,0,0,0,0|2,0,0]=4 400 B5R0.5 C[C@H](O)C(=O)[O-] H12049 [1,1,0,0,0,0|2,0,0]=4 401 B5R0.5 C[C@H](O)C(N)=O AC1144 [1,1,0,0,0,0|2,0,0]=4 402 B5R0.5 NC(=O)C(=O)O A10798 [1,1,0,0,0,0|1,0,0]=3 403 B5R0.5 NC(=O)C(=O)[O-] 78317 [1,1,0,0,0,0|1,0,1]=4 404 B5R0.5 NC(=O)C(=O)[O-] D91824 [1,1,0,0,0,0|1,0,1]=4 405 B5R0.5 NC(=O)C(N)=O D70377 [1,1,0,0,0,0|2,0,0]=4 406 B5R0.5 O=C(O)C(=O)O 35743 [1,1,0,0,0,0|1,0,0]=3 407 B5R0.5 O=C(O)C(=O)O C11246 [1,1,0,0,0,0|1,0,0]=3 408 B5R0.5 O=C(O)C(F)F FD2068 [1,1,0,0,0,0|1,0,1]=4 409 B5R0.5 O=C(O)[C@@H](F)Br AC1541 [1,1,0,0,0,0|1,0,1]=4 410 B5R0.5 O=C([O-])C(=O)[O-] 11920 [1,1,0,0,0,0|1,0,1]=4 411 B5R0.5 O=C([O-])C(=O)[O-] C13296 [1,1,0,0,0,0|1,0,1]=4 412 B5R0.2 C=CCCCBr 78391 [1,1,0,0,0,0|1,0,1]=4 413 B5R0.2 C=CCCCCl O11411 [1,1,0,0,0,0|1,0,1]=4 414 B5R0.2 C=CCCCN 68255 [1,1,0,0,0,0|1,0,1]=4 415 B5R0.2 C=CCCCN 86153 [1,1,0,0,0,0|1,0,1]=4 416 B5R0.2 C=CCCCO 76184 [1,1,0,0,0,0|1,0,1]=4 417 B5R0.2 C=CCSSC D88486 [1,1,0,0,0,0|0,1,1]=4 418 B5R0.2 C=COCCO D78209 [1,1,0,0,0,0|2,0,0]=4 419 B5R0.2 CC\C=C\C#N D92033 [1,1,0,0,0,0|1,0,1]=4 420 B5R0.2 CC\C=C\C=O 11553 [1,1,0,0,0,0|1,0,0]=3 421 B5R0.2 C\C=C/CCC D90857 [1,1,0,0,0,0|1,0,1]=4 422 B5R0.2 NOCC=CCl D82470 [1,1,0,0,0,0|1,0,1]=4 423 B7R0.2 C=CC(=O)NC(C)C D70366 [0,2,0,0,0,0|1,0,0]=3 424 B7R0.2 C=C[C@H](C)OC(C)=O D88608 [0,2,0,0,0,0|1,0,1]=4 425 B7R0.2 CC(C)OC(=O)CO 77517 [0,2,0,0,0,0|1,0,1]=4 426 B7R0.2 CCC(=O)CC(C)=O 24687 [0,2,0,0,0,0|1,0,1]=4 427 B7R0.2 CCC(=O)OC(C)=O 27049 [0,2,0,0,0,0|0,0,2]=4 428 B7R0.2 CNC(=O)NC(C)=O D88213 [0,2,0,0,0,0|1,0,1]=4 429 B7R0.2 COC(=O)C=C(C)C F11280 [0,2,0,0,0,0|0,0,0]=2 430 B7R0.2 COC(=O)CC(=O)Cl D78113 [0,2,0,0,0,0|0,0,1]=3 431 B7R0.2 COC(=O)CC(=O)O 36101 [0,2,0,0,0,0|0,0,1]=3 432 B7R0.2 COC(=O)CC(=O)[O-] 20517 [0,2,0,0,0,0|0,0,1]=3 433 B7R0.2 COC(=O)CC(C)=O D70329 [0,2,0,0,0,0|0,0,1]=3 434 B7R0.2 COC(=O)CC(C)C 79108 [0,2,0,0,0,0|0,0,2]=4 435 B7R0.2 COC(=O)CC(N)=O 36581 [0,2,0,0,0,0|0,0,1]=3 436 B7R0.2 COC(=O)CC(N)=S AC2409 [0,2,0,0,0,0|0,0,1]=3 437 B7R0.2 COC(=O)CN(C)C H10578 [0,2,0,0,0,0|0,0,2]=4 438 B7R0.2 COC(=O)C[C@H](C)Br O11908 [0,2,0,0,0,0|0,0,2]=4 439 B7R0.2 COC(=O)C[C@H](C)N 75000 [0,2,0,0,0,0|0,0,2]=4 440 B7R0.2 COC(=O)C[C@H](C)N 75001 [0,2,0,0,0,0|0,0,2]=4 441 B7R0.2 COC(=O)C[C@H](C)N F14792 [0,2,0,0,0,0|0,0,2]=4 442 B7R0.2 COC(=O)C[C@H](C)O AC7720 [0,2,0,0,0,0|0,0,2]=4 443 B7R0.2 COC(=O)C[C@H](C)O C14861 [0,2,0,0,0,0|0,0,2]=4 444 B7R0.2 COC(=O)C[C@H](C)O F15447 [0,2,0,0,0,0|0,0,2]=4 445 B7R0.2 COC(=O)C[N+](=O)[O-] 29521 [0,2,0,0,0,0|1,0,1]=4 446 B7R0.2 COC(=O)\C=C(/C)N 44431 [0,2,0,0,0,0|0,0,0]=2 447 B7R0.2 COC(=O)\C=C(\C)N 28478 [0,2,0,0,0,0|0,0,0]=2 448 B7R0.3 C=CC(=O)NCCN S10694 [0,2,0,0,0,0|1,0,0]=3 449 B7R0.3 C=CC(=O)NCCO D78367 [0,2,0,0,0,0|1,0,0]=3 450 B7R0.3 C=CC(=O)OCCO D78194 [0,2,0,0,0,0|0,0,0]=2 451 B7R0.3 C=CCOC(=O)C=C D88468 [0,2,0,0,0,0|0,0,0]=2 452 B7R0.3 C=CCOC(=O)CCl 76814 [0,2,0,0,0,0|1,0,1]=4 453 B7R0.3 C=CCOC(=O)OC H10625 [0,2,0,0,0,0|0,0,0]=2 454 B7R0.3 CCCOC(=O)OC D83836 [0,2,0,0,0,0|0,0,2]=4 455 B7R0.3 CC\C=C\C(=O)OC S12000 [0,2,0,0,0,0|0,0,0]=2 456 B7R0.3 CNCCC(=O)OC 32388 [0,2,0,0,0,0|0,0,2]=4 457 B7R0.3 COC(=O)CCC#N 82641 [0,2,0,0,0,0|0,0,2]=4 458 B7R0.3 COC(=O)CCC=O 63110 [0,2,0,0,0,0|0,0,1]=3 459 B7R0.3 COC(=O)CCCBr S11981 [0,2,0,0,0,0|0,0,2]=4 460 B7R0.3 COC(=O)CCCCl 28856 [0,2,0,0,0,0|0,0,2]=4 461 B7R0.3 COC(=O)CCCN 64233 [0,2,0,0,0,0|0,0,2]=4 462 B7R0.3 COC(=O)CN=[N+]=[N-] V10130 [0,2,0,0,0,0|1,0,1]=4 463 B7R0.3 COC(=O)CNC=O C10698 [0,2,0,0,0,0|0,0,1]=3 464 B7R0.3 COC(=O)\C=C\CBr F11439 [0,2,0,0,0,0|0,0,0]=2 465 B7R0.3 COC(=O)\C=C\CBr O11933 [0,2,0,0,0,0|0,0,0]=2 466 B7R0.3 CO\C=C\C(=O)OC D73879 [0,2,0,0,0,0|0,0,0]=2 467 B7R0.3 CO\C=C\C(=O)OC O11915 [0,2,0,0,0,0|0,0,0]=2 468 B7R0.5 C=C(Br)C(=O)OCC AB9222 [0,2,0,0,0,0|0,0,0]=2 469 B7R0.5 CC(C)C(=O)OCBr D94295 [0,2,0,0,0,0|0,0,2]=4 470 B7R0.5 CC(C)C(=O)OCCl P11842 [0,2,0,0,0,0|0,0,2]=4 471 B7R0.5 CCOC(=O)C(=O)O C75898 [0,2,0,0,0,0|1,0,0]=3 472 B7R0.5 CCOC(=O)C(=O)[O-] D90598 [0,2,0,0,0,0|1,0,0]=3 473 B7R0.5 CCOC(=O)C(C)=O D72526 [0,2,0,0,0,0|0,0,1]=3 474 B7R0.5 CCOC(=O)C(F)F FD2077 [0,2,0,0,0,0|1,0,1]=4 475 B7R0.5 CCOC(=O)C(N)=O C13633 [0,2,0,0,0,0|1,0,0]=3 476 B7R0.5 CCOC(=O)C(N)=S 35744 [0,2,0,0,0,0|1,0,0]=3 477 B7R0.5 CCOC(=O)N(C)C A10839 [0,2,0,0,0,0|1,0,1]=4 478 B7R0.5 CCOC(=O)[C@@H](F)Br 76577 [0,2,0,0,0,0|1,0,1]=4 479 B7R0.5 CCOC(=O)[C@@H](F)Cl 76578 [0,2,0,0,0,0|1,0,1]=4 480 B7R0.5 CCOC(=O)[C@H](C)Br D96513 [0,2,0,0,0,0|0,0,2]=4 481 B7R0.5 CCOC(=O)[C@H](C)F 28664 [0,2,0,0,0,0|0,0,2]=4 482 B7R0.5 CCOC(=O)[C@H](C)F AT11657 [0,2,0,0,0,0|0,0,2]=4 483 B7R0.5 CCOC(=O)[C@H](C)I D90599 [0,2,0,0,0,0|0,0,2]=4 484 B7R0.5 CCOC(=O)[C@H](C)N 75100 [0,2,0,0,0,0|0,0,2]=4 485 B7R0.5 CCOC(=O)[C@H](C)N FD21011 [0,2,0,0,0,0|0,0,2]=4 486 B7R0.5 CCOC(=O)[C@H](C)N FD21071 [0,2,0,0,0,0|0,0,2]=4 487 B7R0.5 CCOC(=O)[C@H](C)O 35087 [0,2,0,0,0,0|0,0,2]=4 488 B7R0.5 CCOC(=O)[C@H](C)S D81899 [0,2,0,0,0,0|0,0,2]=4 489 B7R0.5 CO\N=C(/C)C(=O)O D81198 [0,2,0,0,0,0|2,0,0]=4 490 B7R0.7 C=CCC(=O)OCC 74919 [0,2,0,0,0,0|0,0,0]=2 491 B7R0.7 CC#CC(=O)OCC 33793 [0,2,0,0,0,0|0,0,2]=4 492 B7R0.7 CCCC(=O)OCCl F20378 [0,2,0,0,0,0|0,0,2]=4 493 B7R0.7 CCOC(=O)CCBr F11254 [0,2,0,0,0,0|0,0,2]=4 494 B7R0.7 CCOC(=O)CCCl D89381 [0,2,0,0,0,0|0,0,2]=4 495 B7R0.7 CCOC(=O)CCI 23721 [0,2,0,0,0,0|0,0,2]=4 496 B7R0.7 CCOC(=O)CCN AC7506 [0,2,0,0,0,0|0,0,2]=4 497 B7R0.7 CCOC(=O)CCO 30936 [0,2,0,0,0,0|0,0,2]=4 498 B7R0.7 CCOC(=O)CCS D87716 [0,2,0,0,0,0|0,0,2]=4 499 B7R0.7 CCOC(=O)CNC 73271 [0,2,0,0,0,0|0,0,2]=4 500 B7R0.7 CCOC(=O)CNN 35068 [0,2,0,0,0,0|1,0,1]=4 501 B7R0.7 CCOC(=O)COC F11239 [0,2,0,0,0,0|0,0,2]=4 502 B7R0.7 CCOC(=O)CSC I10203 [0,2,0,0,0,0|0,0,2]=4 503 B7R0.7 CCOC(=O)OCC D97668 [0,2,0,0,0,0|0,0,2]=4 504 B7R0.7 CCOC(=O)OCCl 23781 [0,2,0,0,0,0|0,0,2]=4 505 B7R0.7 CCOC(=O)\C=C/Br T70763 [0,2,0,0,0,0|0,0,0]=2 506 B7R0.7 CCOC(=O)\C=C/I D81841 [0,2,0,0,0,0|0,0,0]=2 507 B7R0.7 CCOC(=O)\C=C\I 72163 [0,2,0,0,0,0|0,0,0]=2 508 B7R0.7 CCOC(=O)\C=C\[O-] P20682 [0,2,0,0,0,0|0,0,0]=2 509 B7R0.7 CCO\C([O-])=C\C=O 95730 [0,2,0,0,0,0|0,0,1]=3 510 B7R0.7 [C-]#[N+]CC(=O)OCC 23174 [0,2,0,0,0,0|0,0,2]=4 511 B7R0.10 C=C(CBr)C(=O)OC 35784 [0,2,0,0,0,0|0,0,0]=2 512 B7R0.10 C=C(CO)C(=O)OC 35969 [0,2,0,0,0,0|0,0,0]=2 513 B7R0.10 CCC(=O)C(=O)CC D90906 [0,2,0,0,0,0|1,0,1]=4 514 B7R0.10 CCC(=O)C(=O)OC F16310 [0,2,0,0,0,0|0,0,1]=3 515 B7R0.10 CCC(=O)N(C)OC AR3350 [0,2,0,0,0,0|0,0,2]=4 516 B7R0.10 CC[C@H](Br)C(=O)OC H11989 [0,2,0,0,0,0|0,0,2]=4 517 B7R0.10 CC[C@H](N)C(=O)OC 63264 [0,2,0,0,0,0|0,0,2]=4 518 B7R0.10 CC[C@H](N)C(=O)OC F11947 [0,2,0,0,0,0|0,0,2]=4 519 B7R0.10 CC[C@H](N)C(=O)OC H10859 [0,2,0,0,0,0|0,0,2]=4 520 B7R0.10 CC[C@H](O)C(=O)OC D94650 [0,2,0,0,0,0|0,0,2]=4 521 B7R0.10 CNC(=O)C(=O)NC D95690 [0,2,0,0,0,0|1,0,1]=4 522 B7R0.10 CN[C@@H](C)C(=O)OC D84599 [0,2,0,0,0,0|0,0,2]=4 523 B7R0.10 CN[C@@H](C)C(=O)OC FD21060 [0,2,0,0,0,0|0,0,2]=4 524 B7R0.10 COC(=O)C(=O)CBr O11905 [0,2,0,0,0,0|0,0,1]=3 525 B7R0.10 COC(=O)[C@@H](Br)CBr AB2902 [0,2,0,0,0,0|0,0,2]=4 526 B7R0.10 COC(=O)[C@@H](Br)CO D84458 [0,2,0,0,0,0|0,0,2]=4 527 B7R0.10 COC(=O)[C@@H](C)CBr D70325 [0,2,0,0,0,0|0,0,2]=4 528 B7R0.10 COC(=O)[C@@H](C)CN E72583 [0,2,0,0,0,0|0,0,2]=4 529 B7R0.10 COC(=O)[C@@H](C)CO F12962 [0,2,0,0,0,0|0,0,2]=4 530 B7R0.10 COC(=O)[C@@H](C)CO TD8064 [0,2,0,0,0,0|0,0,2]=4 531 B7R0.10 COC(=O)[C@@H](F)CO 36756 [0,2,0,0,0,0|0,0,2]=4 532 B7R0.10 COC(=O)[C@@H](N)CCl FD3091 [0,2,0,0,0,0|0,0,2]=4 533 B7R0.10 COC(=O)[C@@H](N)CCl O11861 [0,2,0,0,0,0|0,0,2]=4 534 B7R0.10 COC(=O)[C@@H](N)CN D83300 [0,2,0,0,0,0|0,0,2]=4 535 B7R0.10 COC(=O)[C@@H](N)CO 20054 [0,2,0,0,0,0|0,0,2]=4 536 B7R0.10 COC(=O)[C@@H](N)CO 20056 [0,2,0,0,0,0|0,0,2]=4 537 B7R0.10 COC(=O)[C@@H](N)CO 39397 [0,2,0,0,0,0|0,0,2]=4 538 B7R0.10 COC(=O)[C@@H](N)CO AB7436 [0,2,0,0,0,0|0,0,2]=4 539 B7R0.10 COC(=O)[C@@H](N)CS 27842 [0,2,0,0,0,0|0,0,2]=4 540 B7R0.10 COC(=O)[C@@H](N)CS FD21234 [0,2,0,0,0,0|0,0,2]=4 541 B7R0.10 COC(=O)[C@@H](N)CS H10905 [0,2,0,0,0,0|0,0,2]=4 542 B7R0.10 COC(=O)[C@@H](O)CO 24991 [0,2,0,0,0,0|0,0,2]=4 543 B7R0.10 COC(=O)[C@H](C)OC AT18834 [0,2,0,0,0,0|0,0,2]=4 544 B7R0.10 CON(C)C(=O)CCl 84008 [0,2,0,0,0,0|1,0,1]=4 545 B7R0.10 C\C=C(/Br)C(=O)OC 69499 [0,2,0,0,0,0|0,0,0]=2 546 B7R0.11 C=C[Si](C)(C)OCC 23153 [0,2,0,0,0,0|1,1,0]=4 547 B7R0.14 COC(=O)C(C)(C)Br D78112 [0,2,0,0,0,0|0,0,2]=4 548 B7R0.14 COC(=O)C(C)(C)F 28733 [0,2,0,0,0,0|0,0,2]=4 549 B7R0.14 COC(=O)C(C)(C)N 20964 [0,2,0,0,0,0|0,0,2]=4 550 B7R0.14 COC(=O)C(C)(C)N 33078 [0,2,0,0,0,0|0,0,2]=4 551 B7R0.14 COC(=O)C(C)(F)F Y13523 [0,2,0,0,0,0|0,0,2]=4 552 B7R0.14 COC(=O)C(F)(F)Br F16563 [0,2,0,0,0,0|1,0,1]=4 553 B7R0.14 COC(=O)C(F)(F)Cl F11158 [0,2,0,0,0,0|1,0,1]=4 554 B7R0.14 COC(=O)C(F)(F)F D78309 [0,2,0,0,0,0|1,0,1]=4 555 B7R0.16 C=C(C)C(=O)N(C)C S12120 [0,2,0,0,0,0|1,0,0]=3 556 B7R0.16 CC(C)C(=O)C(=O)O 31009 [0,2,0,0,0,0|2,0,0]=4 557 B7R0.16 CC(C)C(=O)C(=O)[O-] O12076 [0,2,0,0,0,0|2,0,0]=4 558 B7R0.16 CN(C)C(=O)C(=O)O 70322 [0,2,0,0,0,0|2,0,0]=4 559 B5R1.2 C=C1CCC1 90960 [1,0,0,1,0,0|2,0,0]=4 560 B5R1.2 O=C1CCC1 24502 [1,0,0,1,0,0|0,0,2]=4 561 B5R1.2 O=C1CCN1 52806 [1,0,0,1,0,0|1,0,1]=4 562 B5R1.2 O=C1CCO1 AT19319 [1,0,0,1,0,0|0,0,1]=3 563 B5R1.2 O=C1CNC1 51063 [1,0,0,1,0,0|1,0,1]=4 564 B5R1.2 O=C1COC1 66386 [1,0,0,1,0,0|1,0,1]=4 565 B5R1.2 O=C1CSC1 BL008272 [1,0,0,1,0,0|1,0,1]=4 566 B5R1.3 C=C[C@@H]1CO1 D90487 [1,0,0,1,0,0|0,0,2]=4 567 B5R1.1 C1=CCC=C1 F16264 [1,0,0,1,0,0|1,0,0]=3 568 B5R1.1 C1=CCC=C1 S10330 [1,0,0,1,0,0|1,0,0]=3 569 B5R1.1 C1=CCC=C1 S10411 [1,0,0,1,0,0|1,0,0]=3 570 B5R1.1 C1=CCNC1 23121 [1,0,0,1,0,0|1,0,1]=4 571 B5R1.1 C1=CCNC1 39302 [1,0,0,1,0,0|1,0,1]=4 572 B5R1.1 C1=CCOC1 F11214 [1,0,0,1,0,0|0,0,1]=3 573 B5R1.1 C1=CNN=C1 D78528 [1,0,0,1,0,0|2,0,0]=4 574 B5R1.1 C1=COC=N1 64701 [1,0,0,1,0,0|1,0,1]=4 575 B5R1.1 C1=CON=C1 F14866 [1,0,0,1,0,0|1,0,0]=3 576 B5R1.1 C1=CSN=C1 62862 [1,0,0,1,0,0|1,1,0]=4 577 B5R1.1 C1=C[CH-]C=C1 D89475 [1,0,0,1,0,0|1,0,1]=4 578 B7R1.1 CCC1=CC=CO1 S10154 [0,1,0,1,0,0|1,0,1]=4 579 B7R1.1 CCC1=CC=CS1 D90498 [0,1,0,1,0,0|1,1,0]=4 580 B7R1.1 CCC1=CCC=C1 F14114 [0,1,0,1,0,0|2,0,0]=4 581 B7R1.1 CCC1=CN=CN1 32046 [0,1,0,1,0,0|2,0,0]=4 582 B7R1.1 CCC1=CSC=C1 F14946 [0,1,0,1,0,0|1,1,0]=4 583 B7R1.1 CCC1=NC=CN1 D77759 [0,1,0,1,0,0|2,0,0]=4 584 B7R1.1 CCC1=NC=CS1 D90524 [0,1,0,1,0,0|1,1,0]=4 585 B7R1.1 COC1=CC=CS1 F14921 [0,1,0,1,0,0|0,1,0]=3 586 B7R1.1 COC1=CSC=C1 63554 [0,1,0,1,0,0|0,1,0]=3 587 B7R1.1 COC1=NC=CS1 O10826 [0,1,0,1,0,0|0,1,0]=3 588 B7R1.1 CSC1=CSC=C1 D97361 [0,1,0,1,0,0|0,2,0]=4 589 B7R1.1 CSC1=NC=CS1 H10071 [0,1,0,1,0,0|0,2,0]=4 590 B7R1.1 N#CC1=CC=CO1 67660 [0,1,0,1,0,0|1,0,1]=4 591 B7R1.1 O=CC1=CC=CN1 61406 [0,1,0,1,0,0|1,0,1]=4 592 B7R1.1 O=CC1=CC=CS1 AC8106 [0,1,0,1,0,0|0,1,1]=4 593 B7R1.1 O=CC1=CCC=C1 F14116 [0,1,0,1,0,0|1,0,0]=3 594 B7R1.1 O=CC1=CNC=C1 65470 [0,1,0,1,0,0|2,0,0]=4 595 B7R1.1 O=CC1=COC=C1 61504 [0,1,0,1,0,0|2,0,0]=4 596 B7R1.1 O=CC1=CSC=C1 24023 [0,1,0,1,0,0|2,0,0]=4 597 B7R1.1 O=CC1=NC=CO1 64760 [0,1,0,1,0,0|1,0,1]=4 598 B7R1.1 O=CC1=NNC=C1 BL001484 [0,1,0,1,0,0|2,0,0]=4 599 B7R1.1 OCC1=CCC=C1 F14117 [0,1,0,1,0,0|1,0,1]=4 600 B7R1.2 BrC1=CC=C(Br)O1 Y10506 [0,1,0,1,0,0|1,0,1]=4 601 B7R1.2 CC1=CC(=O)CC1 H10654 [0,1,0,1,0,0|1,0,0]=3 602 B7R1.2 CC1=CC(Br)=NO1 W10495 [0,1,0,1,0,0|2,0,0]=4 603 B7R1.2 CC1=CC(C)=NO1 75710 [0,1,0,1,0,0|2,0,0]=4 604 B7R1.2 CC1=CC(N)=NO1 52801 [0,1,0,1,0,0|2,0,0]=4 605 B7R1.2 CC1=CC(O)=NO1 78261 [0,1,0,1,0,0|2,0,0]=4 606 B7R1.2 CC1=CC=C(Br)S1 O10685 [0,1,0,1,0,0|1,1,0]=4 607 B7R1.2 CC1=CC=C(C)N1 O10615 [0,1,0,1,0,0|2,0,0]=4 608 B7R1.2 CC1=CC=C(C)S1 F11266 [0,1,0,1,0,0|1,1,0]=4 609 B7R1.2 CC1=CC=C(Cl)S1 H11801 [0,1,0,1,0,0|1,1,0]=4 610 B7R1.2 CC1=CC=C(I)S1 54487 [0,1,0,1,0,0|1,1,0]=4 611 B7R1.2 CC1=CSC(=O)N1 S10245 [0,1,0,1,0,0|2,0,0]=4 612 B7R1.2 CC1=NN(C)C=C1 81639 [0,1,0,1,0,0|2,0,0]=4 613 B7R1.2 CC1=NNC(=O)O1 24445 [0,1,0,1,0,0|2,0,0]=4 614 B7R1.2 CC1=NOC(N)=C1 71003 [0,1,0,1,0,0|2,0,0]=4 615 B7R1.2 CN1C=CC(=O)N1 F30645 [0,1,0,1,0,0|1,0,0]=3 616 B7R1.2 CN1C=CC(Br)=N1 81971 [0,1,0,1,0,0|2,0,0]=4 617 B7R1.2 CN1C=CC(Cl)=N1 70372 [0,1,0,1,0,0|2,0,0]=4 618 B7R1.2 CN1C=CC(I)=N1 30259 [0,1,0,1,0,0|2,0,0]=4 619 B7R1.2 CN1C=CC(N)=N1 27080 [0,1,0,1,0,0|2,0,0]=4 620 B7R1.2 C[C@H]1CCC(=O)O1 P20539 [0,1,0,1,0,0|0,0,2]=4 621 B7R1.2 C[C@H]1COC(=O)O1 28658 [0,1,0,1,0,0|0,0,2]=4 622 B7R1.2 NC1=CC(=O)N=N1 D97375 [0,1,0,1,0,0|2,0,0]=4 623 B7R1.2 N[C@@H]1COC(=O)C1 FD1172 [0,1,0,1,0,0|0,0,2]=4 624 B7R1.2 O=C1C=CC(=O)N1 29305 [0,1,0,1,0,0|1,0,1]=4 625 B7R1.2 O=C1C=C[C@@H](O)C1 11013 [0,1,0,1,0,0|1,0,0]=3 626 B7R1.2 O=C1CCC(=O)C1 23085 [0,1,0,1,0,0|1,0,1]=4 627 B7R1.2 O=C1CCC(=O)O1 D78120 [0,1,0,1,0,0|2,0,0]=4 628 B7R1.2 O=C1CNC(=O)N1 D70295 [0,1,0,1,0,0|2,0,0]=4 629 B7R1.2 O=C1CNC(=O)O1 64800 [0,1,0,1,0,0|2,0,0]=4 630 B7R1.2 O=C1COC(=O)C1 T72521 [0,1,0,1,0,0|0,0,1]=3 631 B7R1.2 O=C1CSC(=O)N1 AC7504 [0,1,0,1,0,0|1,1,0]=4 632 B7R1.2 O=C1C[C@H](O)CO1 H11711 [0,1,0,1,0,0|0,0,2]=4 633 B7R1.2 O=C1OC[C@H](Cl)O1 C13865 [0,1,0,1,0,0|1,0,1]=4 634 B7R1.2 O=C1OC[C@H](F)O1 FD2018 [0,1,0,1,0,0|1,0,1]=4 635 B7R1.3 O=C1C=CC=CN1 D87632 [0,1,0,1,0,0|1,0,1]=4 636 B7R1.3 O=C1C=CC=CO1 F16388 [0,1,0,1,0,0|0,0,1]=3 637 B7R1.3 O=C1C=CC=NN1 65442 [0,1,0,1,0,0|1,0,1]=4 638 B7R1.3 O=C1C=CCCO1 71011 [0,1,0,1,0,0|0,0,0]=2 639 B7R1.3 O=C1C=CN=CN1 30112 [0,1,0,1,0,0|1,0,1]=4 640 B7R1.3 O=C1C=CNC=C1 D82355 [0,1,0,1,0,0|1,0,1]=4 641 B7R1.3 O=C1C=CNC=N1 O12062 [0,1,0,1,0,0|1,0,1]=4 642 B7R1.3 O=C1C=COC=C1 C14156 [0,1,0,1,0,0|1,0,1]=4 643 B7R1.3 O=C1C=NC=CN1 FD9116 [0,1,0,1,0,0|1,0,1]=4 644 B7R1.3 O=C1CCCCO1 20506 [0,1,0,1,0,0|0,0,2]=4 645 B7R1.3 O=C1CCCOC1 67990 [0,1,0,1,0,0|0,0,2]=4 646 B7R1.3 O=C1COCCN1 35814 [0,1,0,1,0,0|1,0,1]=4 647 B7R1.3 O=C1COCCO1 39291 [0,1,0,1,0,0|0,0,2]=4 648 B7R1.3 O=C1N=CC=CN1 73268 [0,1,0,1,0,0|1,0,1]=4 649 B7R1.3 O=C1N=CC=CN1 O10847 [0,1,0,1,0,0|1,0,1]=4 650 B7R1.3 O=C1NCCCO1 30441 [0,1,0,1,0,0|0,0,2]=4 651 B7R1.3 O=C1OCCCO1 F20507 [0,1,0,1,0,0|0,0,2]=4 652 B7R1.4 C=C1CCOC1=O FD18014 [0,1,0,1,0,0|0,0,0]=2 653 B7R1.4 CC1=C(Br)C=CS1 23521 [0,1,0,1,0,0|2,0,0]=4 654 B7R1.4 CC1=C(Br)SC=C1 21728 [0,1,0,1,0,0|2,0,0]=4 655 B7R1.4 CC1=C(C)OC=C1 F30226 [0,1,0,1,0,0|1,0,1]=4 656 B7R1.4 CC1=C(Cl)SC=C1 F11210 [0,1,0,1,0,0|2,0,0]=4 657 B7R1.4 CC1=C(S)C=CO1 F15479 [0,1,0,1,0,0|1,0,1]=4 658 B7R1.4 CC1=CC=NN1C 60348 [0,1,0,1,0,0|2,0,0]=4 659 B7R1.4 CC1=CNC=C1C 39170 [0,1,0,1,0,0|2,0,0]=4 660 B7R1.4 CC1=CSC=C1Br 77987 [0,1,0,1,0,0|2,0,0]=4 661 B7R1.4 CC1=CSC=C1C F14672 [0,1,0,1,0,0|2,0,0]=4 662 B7R1.4 CC1=NC=CN1C D78061 [0,1,0,1,0,0|2,0,0]=4 663 B7R1.4 CN1C=CN=C1Br 63249 [0,1,0,1,0,0|2,0,0]=4 664 B7R1.4 CN1C=CN=C1Cl Y10383 [0,1,0,1,0,0|2,0,0]=4 665 B7R1.4 CN1C=CN=C1N F11602 [0,1,0,1,0,0|2,0,0]=4 666 B7R1.4 CN1C=CN=C1N FD10517 [0,1,0,1,0,0|2,0,0]=4 667 B7R1.4 CN1C=CN=C1S H10722 [0,1,0,1,0,0|1,1,0]=4 668 B7R1.4 CN1C=NC=C1Br CL2235 [0,1,0,1,0,0|2,0,0]=4 669 B7R1.4 CN1C=NC=C1Cl W10455 [0,1,0,1,0,0|2,0,0]=4 670 B7R1.4 CN1C=NC=C1I 24667 [0,1,0,1,0,0|2,0,0]=4 671 B7R1.4 CN1CCOC1=O 70761 [0,1,0,1,0,0|1,0,1]=4 672 B7R1.4 CN1N=CC=C1Br 35940 [0,1,0,1,0,0|2,0,0]=4 673 B7R1.4 CN1N=CC=C1I 23590 [0,1,0,1,0,0|2,0,0]=4 674 B7R1.4 CN1N=CC=C1N 33709 [0,1,0,1,0,0|2,0,0]=4 675 B7R1.4 CN1N=CC=C1O 82961 [0,1,0,1,0,0|1,0,1]=4 676 B7R1.4 CN1N=CCC1=O O10424 [0,1,0,1,0,0|1,0,1]=4 677 B7R1.4 CN1NC=CC1=O F17237 [0,1,0,1,0,0|1,0,0]=3 678 B7R1.4 CN1SC=CC1=O D71148 [0,1,0,1,0,0|1,0,0]=3 679 B7R1.4 CN1SC=CC1=O D92969 [0,1,0,1,0,0|1,0,0]=3 680 B7R1.4 C[C@H]1CCOC1=O D70164 [0,1,0,1,0,0|0,0,2]=4 681 B7R1.4 N[C@H]1CCOC1=O 28853 [0,1,0,1,0,0|0,0,2]=4 682 B7R1.4 N[C@H]1CCOC1=O F14759 [0,1,0,1,0,0|0,0,2]=4 683 B7R1.4 N[C@H]1CCOC1=O FD1139 [0,1,0,1,0,0|0,0,2]=4 684 B7R1.4 N[C@H]1CCOC1=O FD1142 [0,1,0,1,0,0|0,0,2]=4 685 B7R1.4 N[C@H]1CCOC1=O W12226 [0,1,0,1,0,0|0,0,2]=4 686 B7R1.4 N[C@H]1CONC1=O 34883 [0,1,0,1,0,0|1,0,1]=4 687 B7R1.4 N[C@H]1CONC1=O 50854 [0,1,0,1,0,0|1,0,1]=4 688 B7R1.4 O=C1CCC=C1Br D82390 [0,1,0,1,0,0|1,0,0]=3 689 B7R1.4 O=C1CCC=C1O 25221 [0,1,0,1,0,0|1,0,0]=3 690 B7R1.4 O=C1OCC[C@@H]1Br H10671 [0,1,0,1,0,0|0,0,2]=4 691 B7R1.4 O=C1OCC[C@@H]1O A12215 [0,1,0,1,0,0|0,0,2]=4 692 B7R1.4 O=C1OCC[C@@H]1O T72635 [0,1,0,1,0,0|0,0,2]=4 693 B7R1.22 COC(=O)C1CC1 D78080 [0,1,0,1,0,0|0,0,2]=4 694 B7R1.22 COC(=O)[C@@H]1CN1 63227 [0,1,0,1,0,0|0,0,2]=4 695 B7R1.22 COC(=O)[C@@H]1CO1 A11057 [0,1,0,1,0,0|0,0,2]=4 696 B7R1.22 COC(=O)[C@@H]1CO1 AC2359 [0,1,0,1,0,0|0,0,2]=4 697 B7R1.22 COC(=O)[C@@H]1CO1 H11420 [0,1,0,1,0,0|0,0,2]=4 698 B7R1.25 C=CC1(O)COC1 69112 [0,1,0,1,0,0|0,0,2]=4 699 B7R1.14 O=S1(=O)C=CCO1 24700 [0,1,0,1,0,0|1,0,0]=3