0 B4R0.1 C#CC(=O)O F10329 [0,0,0,0,0,0|2,0,1]=3 1 B4R0.1 C#CC(C)=O F52495 [0,0,0,0,0,0|1,0,1]=2 2 B4R0.1 C#CC(C)C 22832 [0,0,0,0,0,0|2,0,2]=4 3 B4R0.1 C#CC(N)=O BL007595 [0,0,0,0,0,0|2,0,1]=3 4 B4R0.1 C#C[C@H](C)N P17981 [0,0,0,0,0,0|2,0,2]=4 5 B4R0.1 C#C[C@H](C)O 55689 [0,0,0,0,0,0|1,0,3]=4 6 B4R0.1 C#C[C@H](C)O F17654 [0,0,0,0,0,0|1,0,3]=4 7 B4R0.1 C=C(Br)CBr F15445 [0,0,0,0,0,0|3,0,1]=4 8 B4R0.1 C=C(Br)CO D84296 [0,0,0,0,0,0|3,0,1]=4 9 B4R0.1 C=C(C)C=O H10713 [0,0,0,0,0,0|3,0,0]=3 10 B4R0.1 C=C(C)CBr 29319 [0,0,0,0,0,0|3,0,0]=3 11 B4R0.1 C=C(C)CN 29496 [0,0,0,0,0,0|3,0,0]=3 12 B4R0.1 C=C(C)CO H10780 [0,0,0,0,0,0|3,0,0]=3 13 B4R0.1 C=C(Cl)CCl D97733 [0,0,0,0,0,0|3,0,1]=4 14 B4R0.1 C=CC(=O)[O-] D88317 [0,0,0,0,0,0|2,0,1]=3 15 B4R0.1 C=CC(=O)[O-] H10710 [0,0,0,0,0,0|2,0,1]=3 16 B4R0.1 C=C[C@H](C)O W13854 [0,0,0,0,0,0|1,0,3]=4 17 B4R0.1 C=NN(C)C T72047 [0,0,0,0,0,0|3,0,1]=4 18 B4R0.1 CC(=N)NO 74820 [0,0,0,0,0,0|3,0,0]=3 19 B4R0.1 CC(=O)CBr 76485 [0,0,0,0,0,0|2,0,0]=2 20 B4R0.1 CC(=O)CN 24448 [0,0,0,0,0,0|2,0,0]=2 21 B4R0.1 CC(=O)NBr 70825 [0,0,0,0,0,0|2,0,0]=2 22 B4R0.1 CC(=O)NN AB6005 [0,0,0,0,0,0|2,0,0]=2 23 B4R0.1 CC(=O)NO 78370 [0,0,0,0,0,0|2,0,0]=2 24 B4R0.1 CC(C)=CBr 29237 [0,0,0,0,0,0|3,0,0]=3 25 B4R0.1 CC(C)=NO D70154 [0,0,0,0,0,0|3,0,0]=3 26 B4R0.1 CC(C)CN D70621 [0,0,0,0,0,0|3,0,1]=4 27 B4R0.1 CC(C)NN 35766 [0,0,0,0,0,0|3,0,1]=4 28 B4R0.1 CC(C)NN C10400 [0,0,0,0,0,0|3,0,1]=4 29 B4R0.1 CC(C)NO 77595 [0,0,0,0,0,0|3,0,1]=4 30 B4R0.1 CC(C)ON 77602 [0,0,0,0,0,0|2,0,1]=3 31 B4R0.1 CCB(O)O 33051 [0,0,0,0,0,0|3,0,1]=4 32 B4R0.1 CCC(=N)N 65202 [0,0,0,0,0,0|3,0,0]=3 33 B4R0.1 CCC(N)=O O12053 [0,0,0,0,0,0|2,0,0]=2 34 B4R0.1 CCC(N)=S AT14776 [0,0,0,0,0,0|2,1,0]=3 35 B4R0.1 CC[C@H](C)O 70716 [0,0,0,0,0,0|1,0,2]=3 36 B4R0.1 CC[C@H](C)O 70832 [0,0,0,0,0,0|1,0,2]=3 37 B4R0.1 CC[S@](=O)[O-] F16489 [0,0,0,0,0,0|3,0,0]=3 38 B4R0.1 CN(C)C=S 70822 [0,0,0,0,0,0|4,0,0]=4 39 B4R0.1 CN(C)N=O AT21751 [0,0,0,0,0,0|4,0,0]=4 40 B4R0.1 CN=C(N)N D91522 [0,0,0,0,0,0|3,0,0]=3 41 B4R0.1 CNC(=N)N P16886 [0,0,0,0,0,0|3,0,0]=3 42 B4R0.1 CNC(=O)Cl D81983 [0,0,0,0,0,0|2,0,0]=2 43 B4R0.1 CNC(C)C 39417 [0,0,0,0,0,0|2,0,1]=3 44 B4R0.1 CNC(N)=O AC8061 [0,0,0,0,0,0|2,0,0]=2 45 B4R0.1 CNN(C)C 66800 [0,0,0,0,0,0|3,0,0]=3 46 B4R0.1 COC(=N)N F11253 [0,0,0,0,0,0|2,0,0]=2 47 B4R0.1 COC(=N)N F14927 [0,0,0,0,0,0|2,0,0]=2 48 B4R0.1 COC(=N)N I11503 [0,0,0,0,0,0|2,0,0]=2 49 B4R0.1 COC(Cl)Cl D87753 [0,0,0,0,0,0|2,0,1]=3 50 B4R0.1 COC(N)=O D86342 [0,0,0,0,0,0|1,0,0]=1 51 B4R0.1 COP(Cl)Cl D91399 [0,0,0,0,0,0|3,0,0]=3 52 B4R0.1 CSC(=N)N 20543 [0,0,0,0,0,0|2,1,0]=3 53 B4R0.1 CSC(=N)N E70432 [0,0,0,0,0,0|2,1,0]=3 54 B4R0.1 CSC(C)=O D82067 [0,0,0,0,0,0|0,1,0]=1 55 B4R0.1 C[C@H](Br)C#N S12043 [0,0,0,0,0,0|3,0,1]=4 56 B4R0.1 C[C@H](Cl)CO H11590 [0,0,0,0,0,0|3,0,1]=4 57 B4R0.1 C[C@H](Cl)CO O10168 [0,0,0,0,0,0|3,0,1]=4 58 B4R0.1 C[C@H](N)CN 35106 [0,0,0,0,0,0|3,0,1]=4 59 B4R0.1 C[C@H](N)CN P20461 [0,0,0,0,0,0|3,0,1]=4 60 B4R0.1 C[C@H](N)CO 28476 [0,0,0,0,0,0|3,0,1]=4 61 B4R0.1 C[C@H](N)CO 29970 [0,0,0,0,0,0|3,0,1]=4 62 B4R0.1 C[C@H](N)CO 29971 [0,0,0,0,0,0|3,0,1]=4 63 B4R0.1 C[C@H](O)CCl C10666 [0,0,0,0,0,0|2,0,2]=4 64 B4R0.1 C[C@H](O)CCl D87799 [0,0,0,0,0,0|2,0,2]=4 65 B4R0.1 C[C@H](O)CCl H11611 [0,0,0,0,0,0|2,0,2]=4 66 B4R0.1 C[C@H](O)CN 86259 [0,0,0,0,0,0|2,0,2]=4 67 B4R0.1 C[C@H](O)CN 86301 [0,0,0,0,0,0|2,0,2]=4 68 B4R0.1 C[C@H](O)CN A10592 [0,0,0,0,0,0|2,0,2]=4 69 B4R0.1 C[C@H](O)CO A11633 [0,0,0,0,0,0|2,0,2]=4 70 B4R0.1 C[C@H](O)CO A11634 [0,0,0,0,0,0|2,0,2]=4 71 B4R0.1 C[N+](C)=CCl D89427 [0,0,0,0,0,0|4,0,0]=4 72 B4R0.1 C\C(N)=N\O 35620 [0,0,0,0,0,0|3,0,0]=3 73 B4R0.1 N=C(N)CCl F11896 [0,0,0,0,0,0|4,0,0]=4 74 B4R0.1 N=C(N)CN 20106 [0,0,0,0,0,0|4,0,0]=4 75 B4R0.1 N=C(N)CO C10100 [0,0,0,0,0,0|4,0,0]=4 76 B4R0.1 N=C(N)NN A11354 [0,0,0,0,0,0|4,0,0]=4 77 B4R0.1 N=C(N)NN AC8587 [0,0,0,0,0,0|4,0,0]=4 78 B4R0.1 NC(=O)CBr 35276 [0,0,0,0,0,0|3,0,0]=3 79 B4R0.1 NC(=O)CI 25452 [0,0,0,0,0,0|3,0,0]=3 80 B4R0.1 NC(=O)CO D77798 [0,0,0,0,0,0|3,0,0]=3 81 B4R0.1 NC(=O)NO A10546 [0,0,0,0,0,0|3,0,0]=3 82 B4R0.1 NCC(=O)O D70890 [0,0,0,0,0,0|3,0,0]=3 83 B4R0.1 NCC(=O)O F21278 [0,0,0,0,0,0|3,0,0]=3 84 B4R0.1 NCC(=O)[O-] D70403 [0,0,0,0,0,0|3,0,0]=3 85 B4R0.1 NCC(=O)[O-] D77927 [0,0,0,0,0,0|3,0,0]=3 86 B4R0.1 NCC(=O)[O-] D84274 [0,0,0,0,0,0|3,0,0]=3 87 B4R0.1 NCC(=O)[O-] D95398 [0,0,0,0,0,0|3,0,0]=3 88 B4R0.1 NCC(N)=O 20652 [0,0,0,0,0,0|3,0,0]=3 89 B4R0.1 NCC(N)=O 58529 [0,0,0,0,0,0|3,0,0]=3 90 B4R0.1 NNC(N)=O D95915 [0,0,0,0,0,0|3,0,0]=3 91 B4R0.1 NNC(N)=S A10741 [0,0,0,0,0,0|3,1,0]=4 92 B4R0.1 O=C(Cl)CBr D87897 [0,0,0,0,0,0|3,0,0]=3 93 B4R0.1 O=C(Cl)SCl D89346 [0,0,0,0,0,0|2,1,0]=3 94 B4R0.1 O=C(O)CO D78078 [0,0,0,0,0,0|3,0,0]=3 95 B4R0.1 O=CC(=O)O D70821 [0,0,0,0,0,0|3,0,0]=3 96 B4R0.1 O=CC(=O)O F14188 [0,0,0,0,0,0|3,0,0]=3 97 B4R0.1 O=[N+]([O-])CBr 76484 [0,0,0,0,0,0|4,0,0]=4 98 B4R0.1 ON=C(Br)Br 80656 [0,0,0,0,0,0|4,0,0]=4 99 B3R0.1 Br\C=C/Br D89611 [1,0,0,0,0,0|3,0,0]=4 100 B3R0.1 C=CCC F17161 [1,0,0,0,0,0|1,0,1]=3 101 B3R0.1 C=CCI D78530 [1,0,0,0,0,0|2,0,1]=4 102 B3R0.1 C=CC[Pd+] F10003 [1,0,0,0,0,0|2,0,1]=4 103 B3R0.1 CCCN D74104 [1,0,0,0,0,0|2,0,1]=4 104 B3R0.1 CCCN D80322 [1,0,0,0,0,0|2,0,1]=4 105 B3R0.1 CCNC 28743 [1,0,0,0,0,0|1,0,1]=3 106 B3R0.1 CCNC D78313 [1,0,0,0,0,0|1,0,1]=3 107 B3R0.1 CCNN D93746 [1,0,0,0,0,0|2,0,1]=4 108 B3R0.1 CCNO 77594 [1,0,0,0,0,0|2,0,1]=4 109 B3R0.1 CCON 35725 [1,0,0,0,0,0|1,0,1]=3 110 B3R0.1 CCSC D90442 [1,0,0,0,0,0|0,1,1]=3 111 B3R0.1 CNNC F14608 [1,0,0,0,0,0|2,0,0]=3 112 B3R0.1 CNOC 60204 [1,0,0,0,0,0|1,0,0]=2 113 B3R0.1 COCBr D78328 [1,0,0,0,0,0|1,0,1]=3 114 B3R0.1 CSCCl F20413 [1,0,0,0,0,0|1,1,1]=4 115 B3R0.1 C\C=N\O F13401 [1,0,0,0,0,0|2,0,0]=3 116 B3R0.1 Cl\C=C\Cl H11307 [1,0,0,0,0,0|3,0,0]=4 117 B3R0.1 NNC=O F11944 [1,0,0,0,0,0|2,0,0]=3 118 B3R0.2 C=C(C)Br 28419 [1,0,0,0,0,0|1,0,1]=3 119 B3R0.2 C=[N+](C)C D89898 [1,0,0,0,0,0|2,0,0]=3 120 B3R0.2 CB(O)O 26076 [1,0,0,0,0,0|1,0,1]=3 121 B3R0.2 CC(=O)O 29388 [1,0,0,0,0,0|0,0,0]=1 122 B3R0.2 CC(=O)O C90337 [1,0,0,0,0,0|0,0,0]=1 123 B3R0.2 CC(=O)S D92569 [1,0,0,0,0,0|0,1,0]=2 124 B3R0.2 CC(=O)[O-] 35848 [1,0,0,0,0,0|0,0,1]=2 125 B3R0.2 CC(=O)[O-] AC2542 [1,0,0,0,0,0|0,0,1]=2 126 B3R0.2 CC(=O)[O-] AC2625 [1,0,0,0,0,0|0,0,1]=2 127 B3R0.2 CC(=O)[O-] D70070 [1,0,0,0,0,0|0,0,1]=2 128 B3R0.2 CC(=O)[O-] D74466 [1,0,0,0,0,0|0,0,1]=2 129 B3R0.2 CC(=O)[O-] D74596 [1,0,0,0,0,0|0,0,1]=2 130 B3R0.2 CC(=O)[O-] D77673 [1,0,0,0,0,0|0,0,1]=2 131 B3R0.2 CC(=O)[O-] D77909 [1,0,0,0,0,0|0,0,1]=2 132 B3R0.2 CC(=O)[O-] D78215 [1,0,0,0,0,0|0,0,1]=2 133 B3R0.2 CC(=O)[O-] D78216 [1,0,0,0,0,0|0,0,1]=2 134 B3R0.2 CC(=O)[O-] D81958 [1,0,0,0,0,0|0,0,1]=2 135 B3R0.2 CC(=O)[O-] D84280 [1,0,0,0,0,0|0,0,1]=2 136 B3R0.2 CC(=O)[O-] D88447 [1,0,0,0,0,0|0,0,1]=2 137 B3R0.2 CC(=O)[O-] D91230 [1,0,0,0,0,0|0,0,1]=2 138 B3R0.2 CC(=O)[O-] D95368 [1,0,0,0,0,0|0,0,1]=2 139 B3R0.2 CC(=O)[O-] D95676 [1,0,0,0,0,0|0,0,1]=2 140 B3R0.2 CC(=O)[O-] D95836 [1,0,0,0,0,0|0,0,1]=2 141 B3R0.2 CC(=O)[O-] D95949 [1,0,0,0,0,0|0,0,1]=2 142 B3R0.2 CC(=O)[O-] D95967 [1,0,0,0,0,0|0,0,1]=2 143 B3R0.2 CC(=O)[O-] D95970 [1,0,0,0,0,0|0,0,1]=2 144 B3R0.2 CC(=O)[O-] D97851 [1,0,0,0,0,0|0,0,1]=2 145 B3R0.2 CC(=O)[O-] E70002 [1,0,0,0,0,0|0,0,1]=2 146 B3R0.2 CC(=O)[O-] H10718 [1,0,0,0,0,0|0,0,1]=2 147 B3R0.2 CC(C)Br D87619 [1,0,0,0,0,0|1,0,1]=3 148 B3R0.2 CC(C)N A10746 [1,0,0,0,0,0|1,0,1]=3 149 B3R0.2 CC(C)[O-] T72011 [1,0,0,0,0,0|0,0,2]=3 150 B3R0.2 CC(N)=S D70870 [1,0,0,0,0,0|1,1,0]=3 151 B3R0.2 CN(C)C F19571 [1,0,0,0,0,0|2,0,0]=3 152 B3R0.2 CN(C)N H10568 [1,0,0,0,0,0|2,0,0]=3 153 B3R0.2 CP(C)C D81836 [1,0,0,0,0,0|2,0,0]=3 154 B3R0.2 CP(C)C F20488 [1,0,0,0,0,0|2,0,0]=3 155 B3R0.2 C[PH](C)=O 20677 [1,0,0,0,0,0|1,0,0]=2 156 B3R0.2 C[S+](C)Br D89000 [1,0,0,0,0,0|2,0,0]=3 157 B3R0.2 C[S+](C)C 11523 [1,0,0,0,0,0|2,0,0]=3 158 B3R0.2 C[S@](=O)[O-] 35930 [1,0,0,0,0,0|1,0,1]=3 159 B3R0.2 N=C(N)Cl 43148 [1,0,0,0,0,0|3,0,0]=4 160 B3R0.2 N=C(N)N AT23545 [1,0,0,0,0,0|3,0,0]=4 161 B3R0.2 NC(=S)S 74779 [1,0,0,0,0,0|1,2,0]=4 162 B3R0.2 NC(N)=O D70446 [1,0,0,0,0,0|2,0,0]=3 163 B3R0.2 O=C(O)O D78214 [1,0,0,0,0,0|1,0,0]=2 164 B3R0.2 O=C([O-])[O-] 29292 [1,0,0,0,0,0|1,0,1]=3 165 B3R0.2 O=C([O-])[O-] AC2635 [1,0,0,0,0,0|1,0,1]=3 166 B3R0.2 O=C([O-])[O-] D95733 [1,0,0,0,0,0|1,0,1]=3 167 B3R0.2 O=C([O-])[O-] H12045 [1,0,0,0,0,0|1,0,1]=3 168 B3R0.2 O=[N+]([O-])[O-] AC2340 [1,0,0,0,0,0|2,0,1]=4 169 B3R0.2 O=[N+]([O-])[O-] D78339 [1,0,0,0,0,0|2,0,1]=4 170 B3R0.2 O=[N+]([O-])[O-] D95172 [1,0,0,0,0,0|2,0,1]=4 171 B3R0.2 O=[N+]([O-])[O-] D95621 [1,0,0,0,0,0|2,0,1]=4 172 B3R0.2 O=[N+]([O-])[O-] D95671 [1,0,0,0,0,0|2,0,1]=4 173 B3R0.2 O=[N+]([O-])[O-] D95736 [1,0,0,0,0,0|2,0,1]=4 174 B3R0.2 O=[N+]([O-])[O-] D95950 [1,0,0,0,0,0|2,0,1]=4 175 B3R0.2 O=[N+]([O-])[O-] D95955 [1,0,0,0,0,0|2,0,1]=4 176 B3R0.2 O=[N+]([O-])[O-] D95968 [1,0,0,0,0,0|2,0,1]=4 177 B3R0.2 O=[N+]([O-])[O-] S10441 [1,0,0,0,0,0|2,0,1]=4 178 B3R0.2 O=[V](=O)[O-] D78051 [1,0,0,0,0,0|2,0,1]=4 179 B3R0.2 OP(O)O F20662 [1,0,0,0,0,0|2,0,1]=4 180 B3R0.2 [O-]P([O-])O AT25587 [1,0,0,0,0,0|2,0,1]=4 181 B5R0.1 C#CCC(=O)O F14007 [0,1,0,0,0,0|2,0,1]=4 182 B5R0.1 C=C(C)CCBr 80247 [0,1,0,0,0,0|2,0,0]=3 183 B5R0.1 C=C(C)OCC 78535 [0,1,0,0,0,0|1,0,0]=2 184 B5R0.1 C=CCC(=O)O H10768 [0,1,0,0,0,0|2,0,1]=4 185 B5R0.1 C=CNC(C)=O D92786 [0,1,0,0,0,0|1,0,1]=3 186 B5R0.1 C=NCC(N)=O D97705 [0,1,0,0,0,0|2,0,1]=4 187 B5R0.1 CC#CC(=O)O 66664 [0,1,0,0,0,0|2,0,0]=3 188 B5R0.1 CC(=O)CC#N 88909 [0,1,0,0,0,0|1,0,1]=3 189 B5R0.1 CC(=O)CCCl F20480 [0,1,0,0,0,0|1,0,0]=2 190 B5R0.1 CC(=O)CCO 55787 [0,1,0,0,0,0|1,0,0]=2 191 B5R0.1 CC(=O)NCO FD10622 [0,1,0,0,0,0|1,0,0]=2 192 B5R0.1 CC(=O)OCBr A12670 [0,1,0,0,0,0|0,0,0]=1 193 B5R0.1 CC(=O)OCCl D78132 [0,1,0,0,0,0|0,0,0]=1 194 B5R0.1 CC(=O)\C=N\O D72887 [0,1,0,0,0,0|2,0,0]=3 195 B5R0.1 CC(C)=CC=O 23180 [0,1,0,0,0,0|2,0,1]=4 196 B5R0.1 CC(C)=CCBr 75658 [0,1,0,0,0,0|2,0,0]=3 197 B5R0.1 CC(C)=CCO F20316 [0,1,0,0,0,0|2,0,0]=3 198 B5R0.1 CC(C)CON H10571 [0,1,0,0,0,0|2,0,1]=4 199 B5R0.1 CC=C[C@H](C)O D84201 [0,1,0,0,0,0|1,0,2]=4 200 B5R0.1 CCCC(=N)N W10324 [0,1,0,0,0,0|3,0,0]=4 201 B5R0.1 CCCC(=O)[O-] D84277 [0,1,0,0,0,0|2,0,0]=3 202 B5R0.1 CCCC(N)=O D70204 [0,1,0,0,0,0|2,0,0]=3 203 B5R0.1 CCC[C@H](C)N 28967 [0,1,0,0,0,0|2,0,1]=4 204 B5R0.1 CCC[C@H](C)O RB3003 [0,1,0,0,0,0|1,0,2]=4 205 B5R0.1 CCC[C@H](C)O T72186 [0,1,0,0,0,0|1,0,2]=4 206 B5R0.1 CCC[N+](=O)[O-] D97683 [0,1,0,0,0,0|3,0,0]=4 207 B5R0.1 CCNC(C)=O AC2513 [0,1,0,0,0,0|1,0,0]=2 208 B5R0.1 CCNC(C)C D77967 [0,1,0,0,0,0|2,0,1]=4 209 B5R0.1 CCNC(N)=O D95291 [0,1,0,0,0,0|2,0,0]=3 210 B5R0.1 CCOC(=S)[S-] D78138 [0,1,0,0,0,0|1,1,0]=3 211 B5R0.1 CCOC(=S)[S-] D90455 [0,1,0,0,0,0|1,1,0]=3 212 B5R0.1 CCOC(C)=N D70134 [0,1,0,0,0,0|1,0,0]=2 213 B5R0.1 CCOC(N)=O F21294 [0,1,0,0,0,0|1,0,0]=2 214 B5R0.1 CCO[SiH](C)C I11477 [0,1,0,0,0,0|1,1,0]=3 215 B5R0.1 CCSC(=N)N D86401 [0,1,0,0,0,0|2,1,0]=4 216 B5R0.1 CCSC(C)=O H11301 [0,1,0,0,0,0|0,1,0]=2 217 B5R0.1 CC[O+]=C(N)N 35842 [0,1,0,0,0,0|2,0,1]=4 218 B5R0.1 CN(C)CCBr O10701 [0,1,0,0,0,0|3,0,0]=4 219 B5R0.1 CN(C)CCCl D77997 [0,1,0,0,0,0|3,0,0]=4 220 B5R0.1 CN(C)CCN S12293 [0,1,0,0,0,0|3,0,0]=4 221 B5R0.1 CN(C)CCS 35911 [0,1,0,0,0,0|3,0,0]=4 222 B5R0.1 CNCC(=O)O 73735 [0,1,0,0,0,0|2,0,0]=3 223 B5R0.1 CNCC(=O)O AC7804 [0,1,0,0,0,0|2,0,0]=3 224 B5R0.1 CNCC(N)=O A11560 [0,1,0,0,0,0|2,0,0]=3 225 B5R0.1 COCC(=N)N 20309 [0,1,0,0,0,0|2,0,0]=3 226 B5R0.1 COCC(=O)Cl D78222 [0,1,0,0,0,0|1,0,0]=2 227 B5R0.1 COCC(=O)O D77874 [0,1,0,0,0,0|1,0,0]=2 228 B5R0.1 COCC(C)=O D91400 [0,1,0,0,0,0|0,0,0]=1 229 B5R0.1 COCC(N)=O F20983 [0,1,0,0,0,0|1,0,0]=2 230 B5R0.1 COC[C@H](C)O 35103 [0,1,0,0,0,0|0,0,2]=3 231 B5R0.1 COC[C@H](C)O O10158 [0,1,0,0,0,0|0,0,2]=3 232 B5R0.1 CSCC(=O)O F15988 [0,1,0,0,0,0|1,1,0]=3 233 B5R0.1 CSCC(N)=O 23231 [0,1,0,0,0,0|1,1,0]=3 234 B5R0.1 CSC[S@](C)=O 63104 [0,1,0,0,0,0|1,1,0]=3 235 B5R0.1 C[C@H](Cl)CCCl D89632 [0,1,0,0,0,0|2,0,1]=4 236 B5R0.1 C[C@H](N)CCO 36141 [0,1,0,0,0,0|2,0,1]=4 237 B5R0.1 C[C@H](N)CCO 36142 [0,1,0,0,0,0|2,0,1]=4 238 B5R0.1 C[C@H](N)CCO F11725 [0,1,0,0,0,0|2,0,1]=4 239 B5R0.1 C[C@H](O)CCO 55765 [0,1,0,0,0,0|1,0,2]=4 240 B5R0.1 C[C@H](O)CCO O10183 [0,1,0,0,0,0|1,0,2]=4 241 B5R0.1 C[NH2+]CC(C)C D91375 [0,1,0,0,0,0|2,0,1]=4 242 B5R0.1 C\C(N)=C/C#N F19804 [0,1,0,0,0,0|2,0,1]=4 243 B5R0.1 C\C=C\C(=O)Cl D78102 [0,1,0,0,0,0|2,0,0]=3 244 B5R0.1 C\C=C\C(=O)Cl F20351 [0,1,0,0,0,0|2,0,0]=3 245 B5R0.1 C\C=C\C(=O)O RB8002 [0,1,0,0,0,0|2,0,0]=3 246 B5R0.1 C\C=C\C(C)=O F17125 [0,1,0,0,0,0|1,0,0]=2 247 B5R0.1 N#CCC(=O)O P20002 [0,1,0,0,0,0|2,0,1]=4 248 B5R0.1 N#CCC(=O)[O-] D83681 [0,1,0,0,0,0|2,0,1]=4 249 B5R0.1 N#CCC(N)=O W18657 [0,1,0,0,0,0|2,0,1]=4 250 B5R0.1 NC(=O)CCBr C16124 [0,1,0,0,0,0|2,0,0]=3 251 B5R0.1 NCCC(N)=O F13534 [0,1,0,0,0,0|2,0,0]=3 252 B5R0.1 NOCC(=O)O H11929 [0,1,0,0,0,0|2,0,0]=3 253 B5R0.1 O=C(Cl)CCBr D88890 [0,1,0,0,0,0|2,0,0]=3 254 B5R0.1 O=C(Cl)OCCl H11933 [0,1,0,0,0,0|1,0,0]=2 255 B5R0.1 O=C(O)CCBr P17146 [0,1,0,0,0,0|2,0,0]=3 256 B5R0.1 O=C(O)CCF 71324 [0,1,0,0,0,0|2,0,0]=3 257 B5R0.1 O=C(O)CCI D91073 [0,1,0,0,0,0|2,0,0]=3 258 B5R0.1 O=C(O)CCO 77998 [0,1,0,0,0,0|2,0,0]=3 259 B5R0.1 O=C(O)CCS AT21041 [0,1,0,0,0,0|2,0,0]=3 260 B5R0.1 O=C(O)\C=C/Cl H10108 [0,1,0,0,0,0|2,0,1]=4 261 B5R0.1 O=[N+]([O-])CCO AC1643 [0,1,0,0,0,0|3,0,0]=4 262 B5R0.3 C#CC(=O)OC P17723 [0,1,0,0,0,0|0,0,1]=2 263 B5R0.3 C=C(CBr)CBr 21111 [0,1,0,0,0,0|3,0,0]=4 264 B5R0.3 C=C(CCl)CCl 23001 [0,1,0,0,0,0|3,0,0]=4 265 B5R0.3 C=C(CO)CO 35347 [0,1,0,0,0,0|3,0,0]=4 266 B5R0.3 C=CC(=O)NC AB9590 [0,1,0,0,0,0|1,0,1]=3 267 B5R0.3 CCC(=N)NO 22901 [0,1,0,0,0,0|2,0,1]=4 268 B5R0.3 CCC(=O)CBr F10475 [0,1,0,0,0,0|1,0,0]=2 269 B5R0.3 CCC(=O)CO C75383 [0,1,0,0,0,0|1,0,0]=2 270 B5R0.3 CCC(=O)NC D91338 [0,1,0,0,0,0|1,0,0]=2 271 B5R0.3 CCC(=O)NN 20641 [0,1,0,0,0,0|2,0,0]=3 272 B5R0.3 CCC(Br)CC H11324 [0,1,0,0,0,0|2,0,1]=4 273 B5R0.3 CCC(N)CC S12161 [0,1,0,0,0,0|2,0,1]=4 274 B5R0.3 CCN(C)CC D97580 [0,1,0,0,0,0|3,0,0]=4 275 B5R0.3 CCS(=O)CC D81870 [0,1,0,0,0,0|2,0,0]=3 276 B5R0.3 CC[C@H](Br)CBr D89608 [0,1,0,0,0,0|2,0,1]=4 277 B5R0.3 CC[C@H](C)CBr A10884 [0,1,0,0,0,0|2,0,1]=4 278 B5R0.3 CC[C@H](C)CCl D89411 [0,1,0,0,0,0|2,0,1]=4 279 B5R0.3 CC[C@H](C)CI D80608 [0,1,0,0,0,0|2,0,1]=4 280 B5R0.3 CC[C@H](C)CN F16114 [0,1,0,0,0,0|2,0,1]=4 281 B5R0.3 CC[C@H](C)CO 88664 [0,1,0,0,0,0|1,0,2]=4 282 B5R0.3 CC[C@H](C)CS D91431 [0,1,0,0,0,0|1,1,1]=4 283 B5R0.3 CC[C@H](C)NC D95752 [0,1,0,0,0,0|2,0,1]=4 284 B5R0.3 CC[C@H](C)NN 72197 [0,1,0,0,0,0|2,0,1]=4 285 B5R0.3 CC[C@H](N)CO 23160 [0,1,0,0,0,0|2,0,1]=4 286 B5R0.3 CC[C@H](N)CO D87517 [0,1,0,0,0,0|2,0,1]=4 287 B5R0.3 CC[C@H](N)CO F14569 [0,1,0,0,0,0|2,0,1]=4 288 B5R0.3 CC[C@H](O)CN D97409 [0,1,0,0,0,0|1,0,2]=4 289 B5R0.3 CC[C@H](O)CO C10640 [0,1,0,0,0,0|1,0,2]=4 290 B5R0.3 CC[C@H](O)CO O10222 [0,1,0,0,0,0|1,0,2]=4 291 B5R0.3 CNC(=O)CBr H10939 [0,1,0,0,0,0|1,0,0]=2 292 B5R0.3 CNC(=O)CCl 28994 [0,1,0,0,0,0|1,0,0]=2 293 B5R0.3 CNC(=O)CN AC1534 [0,1,0,0,0,0|1,0,0]=2 294 B5R0.3 CNC(=O)CN FD21644 [0,1,0,0,0,0|1,0,0]=2 295 B5R0.3 CNC(=O)NC P17517 [0,1,0,0,0,0|1,0,0]=2 296 B5R0.3 CNC(=O)OC 29564 [0,1,0,0,0,0|0,0,0]=1 297 B5R0.3 CNC(=S)NC D97815 [0,1,0,0,0,0|1,1,0]=3 298 B5R0.3 CNC(=S)NN D77757 [0,1,0,0,0,0|2,1,0]=4 299 B5R0.3 CN[C@@H](C)C#N 31879 [0,1,0,0,0,0|2,0,1]=4 300 B5R0.3 COC(=O)CN 20047 [0,1,0,0,0,0|0,0,0]=1 301 B5R0.3 COC(=O)CO 39413 [0,1,0,0,0,0|0,0,0]=1 302 B5R0.3 COC(=O)NN P17509 [0,1,0,0,0,0|1,0,0]=2 303 B5R0.3 COC(=O)SCl D91417 [0,1,0,0,0,0|1,0,0]=2 304 B5R0.3 CON(C)C=O F11046 [0,1,0,0,0,0|1,0,0]=2 305 B5R0.3 CO[C@@H](C)CN 91004 [0,1,0,0,0,0|1,0,1]=3 306 B5R0.3 CO[C@@H](C)CO 29137 [0,1,0,0,0,0|0,0,2]=3 307 B5R0.3 CO[C@@H](C)CO 35966 [0,1,0,0,0,0|0,0,2]=3 308 B5R0.3 CSC(=N)NN S12387 [0,1,0,0,0,0|2,1,0]=4 309 B5R0.3 CSC(=O)SC D89996 [0,1,0,0,0,0|0,1,0]=2 310 B5R0.3 CS\C(C)=N\O A11022 [0,1,0,0,0,0|0,1,1]=3 311 B5R0.3 NNC(=O)CCl F15553 [0,1,0,0,0,0|2,0,0]=3 312 B5R0.3 NNC(=O)CO 71926 [0,1,0,0,0,0|2,0,0]=3 313 B5R0.3 O=C(CBr)CBr 60498 [0,1,0,0,0,0|2,0,0]=3 314 B5R0.3 O=C(CCl)CCl 73299 [0,1,0,0,0,0|2,0,0]=3 315 B5R0.3 O=C(CO)CO S12381 [0,1,0,0,0,0|2,0,0]=3 316 B5R0.4 C=CS(C)(=O)=O D95725 [0,1,0,0,0,0|2,0,1]=4 317 B5R0.4 CC(C)(C)ON 29937 [0,1,0,0,0,0|2,0,1]=4 318 B5R0.4 CCC(C)(C)Br D88670 [0,1,0,0,0,0|2,0,1]=4 319 B5R0.4 CCC(C)(C)[O-] D94775 [0,1,0,0,0,0|1,0,2]=4 320 B5R0.4 CCS(=O)(=O)Cl D78105 [0,1,0,0,0,0|3,0,0]=4 321 B5R0.4 CCS(=O)(=O)O F20396 [0,1,0,0,0,0|3,0,0]=4 322 B5R0.4 CCS(C)(=O)=O A10776 [0,1,0,0,0,0|2,0,0]=3 323 B5R0.4 CCS(N)(=O)=O 35724 [0,1,0,0,0,0|3,0,0]=4 324 B5R0.4 CC[N+](C)(C)C D90453 [0,1,0,0,0,0|3,0,0]=4 325 B5R0.4 CNC(C)(C)C D94509 [0,1,0,0,0,0|2,0,1]=4 326 B5R0.4 CNS(C)(=O)=O AB2915 [0,1,0,0,0,0|2,0,0]=3 327 B5R0.4 COP(=O)(Cl)Cl D91398 [0,1,0,0,0,0|2,0,0]=3 328 B5R0.4 COS(=O)(=O)[O-] D91331 [0,1,0,0,0,0|2,0,0]=3 329 B5R0.4 COS(C)(=O)=O C10631 [0,1,0,0,0,0|1,0,0]=2 330 B5R0.4 CO[Si](C)(C)C D94568 [0,1,0,0,0,0|1,1,0]=3 331 B5R0.4 CSC(C)(C)C D88816 [0,1,0,0,0,0|1,1,1]=4 332 B5R0.4 CSS(C)(=O)=O H10854 [0,1,0,0,0,0|1,1,0]=3 333 B5R0.4 NOS(=O)(=O)[O-] D77993 [0,1,0,0,0,0|3,0,0]=4 334 B5R0.5 C=C(Br)C(=O)O AB10359 [0,1,0,0,0,0|2,0,1]=4 335 B5R0.5 C=C(C)C(=C)C F14891 [0,1,0,0,0,0|2,0,0]=3 336 B5R0.5 C=C(C)C(=O)[O-] F16474 [0,1,0,0,0,0|2,0,0]=3 337 B5R0.5 C=C(Cl)C(=O)O D93171 [0,1,0,0,0,0|2,0,1]=4 338 B5R0.5 C=C(F)C(=O)O 29128 [0,1,0,0,0,0|2,0,1]=4 339 B5R0.5 CC(=O)C(=O)[O-] D77796 [0,1,0,0,0,0|2,0,0]=3 340 B5R0.5 CC(=O)C(=O)[O-] D97786 [0,1,0,0,0,0|2,0,0]=3 341 B5R0.5 CC(=O)C(=O)[O-] H10783 [0,1,0,0,0,0|2,0,0]=3 342 B5R0.5 CC(=O)C(=O)[O-] H11289 [0,1,0,0,0,0|2,0,0]=3 343 B5R0.5 CC(=O)C(C)=O W18292 [0,1,0,0,0,0|1,0,0]=2 344 B5R0.5 CC(=O)C(F)F AC1257 [0,1,0,0,0,0|2,0,0]=3 345 B5R0.5 CC(=O)N(C)C D88939 [0,1,0,0,0,0|1,0,0]=2 346 B5R0.5 CC(=O)[C@H](C)Br AT12822 [0,1,0,0,0,0|1,0,0]=2 347 B5R0.5 CC(=O)[C@H](C)S D91540 [0,1,0,0,0,0|1,0,0]=2 348 B5R0.5 CC(Br)C(C)Br D89609 [0,1,0,0,0,0|2,0,1]=4 349 B5R0.5 CC(C)=C(C)Br F16090 [0,1,0,0,0,0|2,0,0]=3 350 B5R0.5 CC(C)C(=N)N 73979 [0,1,0,0,0,0|3,0,0]=4 351 B5R0.5 CC(C)C(=O)[O-] D91080 [0,1,0,0,0,0|2,0,0]=3 352 B5R0.5 CC(C)C(N)=O 28439 [0,1,0,0,0,0|2,0,0]=3 353 B5R0.5 CC(C)C(N)=S 80829 [0,1,0,0,0,0|2,1,0]=4 354 B5R0.5 CC(C)N(C)C D95726 [0,1,0,0,0,0|2,0,1]=4 355 B5R0.5 CC(C)[C@H](C)S D91580 [0,1,0,0,0,0|1,1,1]=4 356 B5R0.5 CC(C)[N+](=O)[O-] D95323 [0,1,0,0,0,0|3,0,0]=4 357 B5R0.5 CC(O)C(=O)[O-] F16480 [0,1,0,0,0,0|2,0,0]=3 358 B5R0.5 CC(O)C(C)O F14836 [0,1,0,0,0,0|1,0,2]=4 359 B5R0.5 CC(O)C(C)S D91539 [0,1,0,0,0,0|1,0,2]=4 360 B5R0.5 CC(S)C(C)S D88972 [0,1,0,0,0,0|1,1,1]=4 361 B5R0.5 CN(C)C(=N)N 71016 [0,1,0,0,0,0|3,0,0]=4 362 B5R0.5 CN(C)C(=S)Cl AT19615 [0,1,0,0,0,0|2,1,0]=4 363 B5R0.5 CN(C)C(=S)[S-] D89765 [0,1,0,0,0,0|2,1,0]=4 364 B5R0.5 CN(C)C(N)=O D89723 [0,1,0,0,0,0|2,0,0]=3 365 B5R0.5 CN(C)C(N)=S F19159 [0,1,0,0,0,0|2,1,0]=4 366 B5R0.5 CN(N)C(N)=S H11592 [0,1,0,0,0,0|2,1,0]=4 367 B5R0.5 C[C@H](Br)C(=O)Br 13146 [0,1,0,0,0,0|2,0,0]=3 368 B5R0.5 C[C@H](Br)C(=O)Cl D89048 [0,1,0,0,0,0|2,0,0]=3 369 B5R0.5 C[C@H](Br)C(=O)O 70715 [0,1,0,0,0,0|2,0,0]=3 370 B5R0.5 C[C@H](Br)C(=O)O H10882 [0,1,0,0,0,0|2,0,0]=3 371 B5R0.5 C[C@H](Br)C(N)=O D71122 [0,1,0,0,0,0|2,0,0]=3 372 B5R0.5 C[C@H](Cl)C(=O)Cl W13261 [0,1,0,0,0,0|2,0,0]=3 373 B5R0.5 C[C@H](Cl)C(=O)O 36674 [0,1,0,0,0,0|2,0,0]=3 374 B5R0.5 C[C@H](Cl)C(=O)O F16436 [0,1,0,0,0,0|2,0,0]=3 375 B5R0.5 C[C@H](F)C(=O)O N12158 [0,1,0,0,0,0|2,0,0]=3 376 B5R0.5 C[C@H](N)C(=O)O 30773 [0,1,0,0,0,0|2,0,0]=3 377 B5R0.5 C[C@H](N)C(=O)O C75806 [0,1,0,0,0,0|2,0,0]=3 378 B5R0.5 C[C@H](N)C(=O)O D72543 [0,1,0,0,0,0|2,0,0]=3 379 B5R0.5 C[C@H](N)C(=O)O D84362 [0,1,0,0,0,0|2,0,0]=3 380 B5R0.5 C[C@H](N)C(N)=O 23091 [0,1,0,0,0,0|2,0,0]=3 381 B5R0.5 C[C@H](N)C(N)=O 30751 [0,1,0,0,0,0|2,0,0]=3 382 B5R0.5 C[C@H](N)C(N)=O 30913 [0,1,0,0,0,0|2,0,0]=3 383 B5R0.5 C[C@H](N)C(N)=O 34538 [0,1,0,0,0,0|2,0,0]=3 384 B5R0.5 C[C@H](O)C(=O)O D71144 [0,1,0,0,0,0|2,0,0]=3 385 B5R0.5 C[C@H](O)C(=O)O F14892 [0,1,0,0,0,0|2,0,0]=3 386 B5R0.5 C[C@H](O)C(=O)[O-] D91256 [0,1,0,0,0,0|2,0,0]=3 387 B5R0.5 C[C@H](O)C(=O)[O-] H11285 [0,1,0,0,0,0|2,0,0]=3 388 B5R0.5 C[C@H](O)C(=O)[O-] H12049 [0,1,0,0,0,0|2,0,0]=3 389 B5R0.5 C[C@H](O)C(N)=O AC1144 [0,1,0,0,0,0|2,0,0]=3 390 B5R0.5 C[C@H](O)[C@H](C)O C73651 [0,1,0,0,0,0|1,0,2]=4 391 B5R0.5 C[N+](C)=C(Cl)Cl D89890 [0,1,0,0,0,0|3,0,0]=4 392 B5R0.5 NC(=O)C(=O)O A10798 [0,1,0,0,0,0|3,0,0]=4 393 B5R0.5 NC(=O)C(=O)[O-] 78317 [0,1,0,0,0,0|3,0,0]=4 394 B5R0.5 NC(=O)C(=O)[O-] D91824 [0,1,0,0,0,0|3,0,0]=4 395 B5R0.5 NC(=O)C(Cl)Cl D89626 [0,1,0,0,0,0|3,0,0]=4 396 B5R0.5 NC(=O)C(F)F D76959 [0,1,0,0,0,0|3,0,0]=4 397 B5R0.5 NC(=O)C(N)=O D70377 [0,1,0,0,0,0|3,0,0]=4 398 B5R0.5 O=C(O)C(=O)O 35743 [0,1,0,0,0,0|3,0,0]=4 399 B5R0.5 O=C(O)C(=O)O C11246 [0,1,0,0,0,0|3,0,0]=4 400 B5R0.5 O=C(O)C(F)F FD2068 [0,1,0,0,0,0|3,0,0]=4 401 B5R0.5 O=C(O)[C@@H](F)Br AC1541 [0,1,0,0,0,0|3,0,0]=4 402 B5R0.5 O=C([O-])C(=O)[O-] 11920 [0,1,0,0,0,0|3,0,0]=4 403 B5R0.5 O=C([O-])C(=O)[O-] C13296 [0,1,0,0,0,0|3,0,0]=4 404 B5R0.5 O=C([O-])C(Cl)Cl F12025 [0,1,0,0,0,0|3,0,0]=4 405 B5R1.2 BrC1CCC1 23146 [0,0,0,1,0,0|2,0,1]=4 406 B5R1.2 C=C1CCC1 90960 [0,0,0,1,0,0|2,0,0]=3 407 B5R1.2 C[C@H]1CCN1 86769 [0,0,0,1,0,0|2,0,1]=4 408 B5R1.2 NC1CCC1 51600 [0,0,0,1,0,0|2,0,1]=4 409 B5R1.2 NC1CCC1 F10463 [0,0,0,1,0,0|2,0,1]=4 410 B5R1.2 O=C1CCC1 24502 [0,0,0,1,0,0|1,0,0]=2 411 B5R1.2 O=C1CCN1 52806 [0,0,0,1,0,0|1,0,0]=2 412 B5R1.2 O=C1CCO1 AT19319 [0,0,0,1,0,0|0,0,0]=1 413 B5R1.2 O=C1CNC1 51063 [0,0,0,1,0,0|2,0,0]=3 414 B5R1.2 O=C1COC1 66386 [0,0,0,1,0,0|2,0,0]=3 415 B5R1.2 O=C1CSC1 BL008272 [0,0,0,1,0,0|2,0,0]=3 416 B5R1.2 OC1CCC1 59166 [0,0,0,1,0,0|1,0,2]=4 417 B5R1.3 CC[C@H]1CO1 A11382 [0,0,0,1,0,0|1,0,2]=4 418 B5R1.3 CNC1CC1 83251 [0,0,0,1,0,0|2,0,1]=4 419 B5R1.3 CNC1CC1 BL006056 [0,0,0,1,0,0|2,0,1]=4 420 B5R1.5 CC1(C)CO1 75298 [0,0,0,1,0,0|1,0,1]=3 421 B5R1.5 CC1(N)CC1 26732 [0,0,0,1,0,0|2,0,1]=4 422 B2R0.1 C=NO 28803 [2,0,0,0,0,0|1,0,1]=4 423 B2R0.1 CC#N 34239 [2,0,0,0,0,0|1,0,1]=4 424 B2R0.1 CC=O D78540 [2,0,0,0,0,0|0,0,0]=2 425 B2R0.1 CC[O-] D78336 [2,0,0,0,0,0|0,0,2]=4 426 B2R0.1 CC[S-] H10136 [2,0,0,0,0,0|0,1,1]=4 427 B2R0.1 CNO 77593 [2,0,0,0,0,0|1,0,0]=3 428 B2R0.1 CON C93493 [2,0,0,0,0,0|1,0,0]=3 429 B2R0.1 C[SnH4+2]C D90313 [2,0,0,0,0,0|1,0,0]=3 430 B2R0.1 C[SnH4+2]C H11302 [2,0,0,0,0,0|1,0,0]=3 431 B2R0.1 N=CN 78939 [2,0,0,0,0,0|2,0,0]=4 432 B2R0.1 O=CO 43929 [2,0,0,0,0,0|0,0,0]=2 433 B2R0.1 O=CO D78097 [2,0,0,0,0,0|0,0,0]=2 434 B2R0.1 O=C[O-] D95946 [2,0,0,0,0,0|0,0,1]=3 435 B2R0.1 O=N[O-] D95565 [2,0,0,0,0,0|1,0,1]=4 436 B2R0.1 O=[13CH][O-] 41420 [2,0,0,0,0,0|0,0,1]=3 437 B2R0.1 O=[Ge]=O F20443 [2,0,0,0,0,0|0,1,1]=4 438 B2R0.1 O=[Si]=O C13405 [2,0,0,0,0,0|0,1,1]=4 439 B2R0.1 O=[Si]=O D78143 [2,0,0,0,0,0|0,1,1]=4 440 B2R0.1 O=[Te]=O D92683 [2,0,0,0,0,0|1,0,1]=4 441 B2R0.1 OPO AB10327 [2,0,0,0,0,0|1,0,1]=4 442 B2R0.1 [2H]OC D95537 [2,0,0,0,0,0|1,0,0]=3 443 B2R0.1 [2H]O[2H] H11944 [2,0,0,0,0,0|2,0,0]=4 444 B4R0.2 C#CCOC AT19953 [1,1,0,0,0,0|0,0,2]=4 445 B4R0.2 C=CCCBr D78125 [1,1,0,0,0,0|1,0,1]=4 446 B4R0.2 C=CCCC FD10489 [1,1,0,0,0,0|1,0,1]=4 447 B4R0.2 C=CCCCl 43989 [1,1,0,0,0,0|1,0,1]=4 448 B4R0.2 C=CCCN 68196 [1,1,0,0,0,0|1,0,1]=4 449 B4R0.2 C=CCCO P16638 [1,1,0,0,0,0|1,0,1]=4 450 B4R0.2 C=CCNC F21270 [1,1,0,0,0,0|1,0,1]=4 451 B4R0.2 C=CCOC D88491 [1,1,0,0,0,0|0,0,1]=3 452 B4R0.2 C=CCON 77603 [1,1,0,0,0,0|1,0,1]=4 453 B4R0.2 C=CCSC D88380 [1,1,0,0,0,0|0,1,1]=4 454 B4R0.2 C=COCC P19610 [1,1,0,0,0,0|0,0,1]=3 455 B4R0.2 CC#CCBr 75180 [1,1,0,0,0,0|1,0,1]=4 456 B4R0.2 CC#CCO 75486 [1,1,0,0,0,0|1,0,1]=4 457 B4R0.2 CCCNC A10770 [1,1,0,0,0,0|1,0,1]=4 458 B4R0.2 CCNC=O F19558 [1,1,0,0,0,0|1,0,0]=3 459 B4R0.2 CCNCC D78025 [1,1,0,0,0,0|1,0,1]=4 460 B4R0.2 CCNCC D89842 [1,1,0,0,0,0|1,0,1]=4 461 B4R0.2 CCNCC D90318 [1,1,0,0,0,0|1,0,1]=4 462 B4R0.2 CCNOC D80678 [1,1,0,0,0,0|0,0,1]=3 463 B4R0.2 CCOCCl D89215 [1,1,0,0,0,0|0,0,1]=3 464 B4R0.2 CNCCBr F13405 [1,1,0,0,0,0|1,0,1]=4 465 B4R0.2 CNCCCl 71064 [1,1,0,0,0,0|1,0,1]=4 466 B4R0.2 CNCCN D76853 [1,1,0,0,0,0|1,0,1]=4 467 B4R0.2 CNCCN SC1801 [1,1,0,0,0,0|1,0,1]=4 468 B4R0.2 COCC#N 35354 [1,1,0,0,0,0|0,0,2]=4 469 B4R0.2 COCCBr P19803 [1,1,0,0,0,0|0,0,1]=3 470 B4R0.2 COCCN F14847 [1,1,0,0,0,0|0,0,1]=3 471 B4R0.2 CSCCBr 79497 [1,1,0,0,0,0|0,1,1]=4 472 B4R0.2 CSCCO 28828 [1,1,0,0,0,0|0,1,1]=4 473 B4R0.2 CSCSC D88765 [1,1,0,0,0,0|0,1,1]=4 474 B4R0.2 CSSSC D90187 [1,1,0,0,0,0|1,1,0]=4 475 B4R0.2 C\C=C/CC D91891 [1,1,0,0,0,0|1,0,0]=3 476 B4R0.2 C\C=C\OC 28751 [1,1,0,0,0,0|0,0,0]=2 477 B4R0.2 Cl\C=C\CCl A11332 [1,1,0,0,0,0|2,0,0]=4 478 B4R0.2 NCCON SC1781 [1,1,0,0,0,0|1,0,1]=4 479 B4R0.2 NOCCO 32348 [1,1,0,0,0,0|1,0,1]=4 480 B4R0.2 O=C[N-]C=O 78203 [1,1,0,0,0,0|1,0,1]=4 481 B4R0.2 O=[Dy]O[Dy]=O D94470 [1,1,0,0,0,0|2,0,0]=4 482 B4R0.2 O=[Eu]O[Eu]=O D95631 [1,1,0,0,0,0|2,0,0]=4 483 B4R0.2 O=[Ga]O[Ga]=O D95695 [1,1,0,0,0,0|2,0,0]=4 484 B4R0.2 O=[Mn]O[Mn]=O D97303 [1,1,0,0,0,0|2,0,0]=4 485 B4R0.2 O=[Nd]O[Nd]=O F20379 [1,1,0,0,0,0|2,0,0]=4 486 B4R0.2 O=[Sc]O[Sc]=O D94779 [1,1,0,0,0,0|2,0,0]=4 487 B4R0.2 O=[Tb]O[Tb]=O D97472 [1,1,0,0,0,0|2,0,0]=4 488 B4R0.2 O=[Y]O[Y]=O D92799 [1,1,0,0,0,0|2,0,0]=4 489 B4R0.3 CC(C)(C)I D88747 [1,1,0,0,0,0|1,0,1]=4 490 B4R0.3 CC(C)(C)N D83855 [1,1,0,0,0,0|1,0,1]=4 491 B4R0.3 CC(C)(C)N D89117 [1,1,0,0,0,0|1,0,1]=4 492 B4R0.3 CC(C)(C)N F14004 [1,1,0,0,0,0|1,0,1]=4 493 B4R0.3 CC(C)(C)[O-] D78008 [1,1,0,0,0,0|0,0,2]=4 494 B4R0.3 CC(C)(C)[O-] D78330 [1,1,0,0,0,0|0,0,2]=4 495 B4R0.3 CC(C)(C)[O-] D88327 [1,1,0,0,0,0|0,0,2]=4 496 B4R0.3 CP(=O)(O)O D95909 [1,1,0,0,0,0|1,0,0]=3 497 B4R0.3 CS(=O)(=O)O AT25153 [1,1,0,0,0,0|1,0,0]=3 498 B4R0.3 CS(=O)(=O)[O-] A11504 [1,1,0,0,0,0|1,0,1]=4 499 B4R0.3 CS(=O)(=O)[O-] D82065 [1,1,0,0,0,0|1,0,1]=4 500 B4R0.3 CS(=O)(=O)[O-] E70319 [1,1,0,0,0,0|1,0,1]=4 501 B4R0.3 CS(=O)(=O)[S-] W18874 [1,1,0,0,0,0|1,0,1]=4 502 B4R0.3 CS(C)(=N)=O F31251 [1,1,0,0,0,0|1,0,0]=3 503 B4R0.3 CS(C)(=O)=O D70240 [1,1,0,0,0,0|1,0,0]=3 504 B4R0.3 CS(N)(=O)=O AC7862 [1,1,0,0,0,0|1,0,1]=4 505 B4R0.3 C[N+](C)(C)C A10946 [1,1,0,0,0,0|2,0,0]=4 506 B4R0.3 C[N+](C)(C)C AC7796 [1,1,0,0,0,0|2,0,0]=4 507 B4R0.3 C[N+](C)(C)C AT22119 [1,1,0,0,0,0|2,0,0]=4 508 B4R0.3 C[N+](C)(C)C D77756 [1,1,0,0,0,0|2,0,0]=4 509 B4R0.3 C[N+](C)(C)C D78250 [1,1,0,0,0,0|2,0,0]=4 510 B4R0.3 C[N+](C)(C)C D95388 [1,1,0,0,0,0|2,0,0]=4 511 B4R0.3 C[N+](C)(C)C D95778 [1,1,0,0,0,0|2,0,0]=4 512 B4R0.3 C[N+](C)(C)C FD10633 [1,1,0,0,0,0|2,0,0]=4 513 B4R0.3 C[N+](C)(C)C H10703 [1,1,0,0,0,0|2,0,0]=4 514 B4R0.3 C[N+](C)(C)C H10935 [1,1,0,0,0,0|2,0,0]=4 515 B4R0.3 C[N+](C)(C)C O12146 [1,1,0,0,0,0|2,0,0]=4 516 B4R0.3 C[N+](C)(C)[O-] D70574 [1,1,0,0,0,0|1,0,1]=4 517 B4R0.3 C[S+](C)(C)=O A11312 [1,1,0,0,0,0|1,0,0]=3 518 B4R0.3 C[S+](C)(C)=O AC7850 [1,1,0,0,0,0|1,0,0]=3 519 B4R0.3 C[S+](C)(C)=O AC8170 [1,1,0,0,0,0|1,0,0]=3 520 B4R0.3 C[Si](C)(C)Br D88750 [1,1,0,0,0,0|1,1,0]=4 521 B4R0.3 C[Si](C)(C)I F15417 [1,1,0,0,0,0|1,1,0]=4 522 B4R0.3 C[Si](C)(C)[O-] 76749 [1,1,0,0,0,0|0,1,1]=4 523 B4R0.3 C[Si](C)(C)[O-] D86377 [1,1,0,0,0,0|0,1,1]=4 524 B4R0.3 C[Sn](C)(C)C D95827 [1,1,0,0,0,0|2,0,0]=4 525 B4R0.3 O=P(O)(F)F D94280 [1,1,0,0,0,0|2,0,0]=4 526 B4R0.3 O=S(=O)(O)O D77746 [1,1,0,0,0,0|2,0,0]=4 527 B4R0.3 O=S(=O)(O)O H11038 [1,1,0,0,0,0|2,0,0]=4 528 B4R0.3 O=S(=O)([O-])O D90622 [1,1,0,0,0,0|2,0,0]=4 529 B4R0.3 O=[Mo](=O)(O)O D78107 [1,1,0,0,0,0|2,0,0]=4 530 B6R0.1 C#CC(=O)OCC 35931 [0,2,0,0,0,0|0,0,1]=3 531 B6R0.1 C#C\C(C)=C/CO D70132 [0,2,0,0,0,0|2,0,0]=4 532 B6R0.1 C=CC(=O)NCC AB9195 [0,2,0,0,0,0|1,0,1]=4 533 B6R0.1 C=CCC(=O)OC F15018 [0,2,0,0,0,0|0,0,0]=2 534 B6R0.1 C=COC(=O)CCl D95397 [0,2,0,0,0,0|0,0,1]=3 535 B6R0.1 CC#CC(=O)OC D73343 [0,2,0,0,0,0|0,0,0]=2 536 B6R0.1 CCC(=O)CC#N 28991 [0,2,0,0,0,0|1,0,0]=3 537 B6R0.1 CCCC(=O)CC D90801 [0,2,0,0,0,0|1,0,0]=3 538 B6R0.1 CCCC(=O)NN O11707 [0,2,0,0,0,0|2,0,0]=4 539 B6R0.1 CCCC(=O)SC D91533 [0,2,0,0,0,0|0,1,0]=3 540 B6R0.1 CCOC(=N)CC W15737 [0,2,0,0,0,0|1,0,0]=3 541 B6R0.1 CCOC(=O)CN C93496 [0,2,0,0,0,0|0,0,0]=2 542 B6R0.1 CCOC(=O)CO 39380 [0,2,0,0,0,0|0,0,0]=2 543 B6R0.1 CCOC(=O)CS F21271 [0,2,0,0,0,0|0,0,0]=2 544 B6R0.1 CCOC(=O)NC D91332 [0,2,0,0,0,0|0,0,0]=2 545 B6R0.1 CCOC(=O)NN D77690 [0,2,0,0,0,0|1,0,0]=3 546 B6R0.1 CCOC(=O)OC A11149 [0,2,0,0,0,0|0,0,0]=2 547 B6R0.1 CCO[C@@H](C)CC D88933 [0,2,0,0,0,0|1,0,1]=4 548 B6R0.1 CCO\C(C)=N\O 23036 [0,2,0,0,0,0|0,0,1]=3 549 B6R0.1 CCO\C(C)=N\O H10740 [0,2,0,0,0,0|0,0,1]=3 550 B6R0.1 CN(C=O)CCO AC2477 [0,2,0,0,0,0|2,0,0]=4 551 B6R0.1 CNC(=O)CC#N 23669 [0,2,0,0,0,0|1,0,0]=3 552 B6R0.1 CNCC(=O)NC 71568 [0,2,0,0,0,0|1,0,0]=3 553 B6R0.1 CNCC(=O)OC 73733 [0,2,0,0,0,0|0,0,0]=2 554 B6R0.1 COC(=O)C#CBr O11909 [0,2,0,0,0,0|0,0,1]=3 555 B6R0.1 COC(=O)CC#N D77797 [0,2,0,0,0,0|0,0,0]=2 556 B6R0.1 COC(=O)CCBr AB7483 [0,2,0,0,0,0|0,0,0]=2 557 B6R0.1 COC(=O)CCCl D95821 [0,2,0,0,0,0|0,0,0]=2 558 B6R0.1 COC(=O)CCN S12362 [0,2,0,0,0,0|0,0,0]=2 559 B6R0.1 COC(=O)CCO 29940 [0,2,0,0,0,0|0,0,0]=2 560 B6R0.1 COC(=O)CCS D70327 [0,2,0,0,0,0|0,0,0]=2 561 B6R0.1 COC(=O)CSC D87959 [0,2,0,0,0,0|0,0,0]=2 562 B6R0.1 COC(=O)\C=C/I C75918 [0,2,0,0,0,0|0,0,1]=3 563 B6R0.1 COCC(=O)NN F14662 [0,2,0,0,0,0|1,0,0]=3 564 B6R0.1 COC[C@@H](O)CO H10736 [0,2,0,0,0,0|0,0,2]=4 565 B6R0.1 COC[C@H](O)CCl D84795 [0,2,0,0,0,0|0,0,2]=4 566 B6R0.1 CONC(=O)OC D81547 [0,2,0,0,0,0|0,0,0]=2 567 B6R0.1 CO[C@@H](C)CCO D77758 [0,2,0,0,0,0|0,0,2]=4 568 B6R0.1 CS[C@@H](C)CC=O D91557 [0,2,0,0,0,0|0,1,1]=4 569 B6R0.1 C\C(=C/N=O)NO 74110 [0,2,0,0,0,0|2,0,0]=4 570 B6R0.1 C\C=C\C(=O)CC 74326 [0,2,0,0,0,0|1,0,0]=3 571 B6R0.1 N#CCC(=O)NN 20467 [0,2,0,0,0,0|2,0,0]=4 572 B6R0.1 O=C(CCl)NCO O10755 [0,2,0,0,0,0|1,0,0]=3 573 B6R0.1 [C-]#[N+]CC(=O)OC 29044 [0,2,0,0,0,0|0,0,0]=2 574 B6R0.2 CC(=O)NC(=N)N S10069 [0,2,0,0,0,0|1,0,1]=4 575 B6R0.2 CC(=O)NC(C)=O D97387 [0,2,0,0,0,0|1,0,0]=3 576 B6R0.2 CC(=O)NC(C)C N12028 [0,2,0,0,0,0|1,0,0]=3 577 B6R0.2 CC(=O)NC(N)=O D88216 [0,2,0,0,0,0|1,0,1]=4 578 B6R0.2 CC(=O)NC(N)=S D97730 [0,2,0,0,0,0|1,0,1]=4 579 B6R0.2 CC(=O)O[C@H](C)Br 39292 [0,2,0,0,0,0|0,0,0]=2 580 B6R0.2 CC(=O)SC(C)=O T70772 [0,2,0,0,0,0|0,1,0]=3 581 B6R0.2 CC(=O)[CH-]C(C)=O D78375 [0,2,0,0,0,0|1,0,0]=3 582 B6R0.2 CC(=O)[CH-]C(C)=O D82020 [0,2,0,0,0,0|1,0,0]=3 583 B6R0.2 CC(=O)[CH-]C(C)=O D82093 [0,2,0,0,0,0|1,0,0]=3 584 B6R0.2 CC(=O)[CH-]C(C)=O D82100 [0,2,0,0,0,0|1,0,0]=3 585 B6R0.2 CC(=O)[CH-]C(C)=O D88949 [0,2,0,0,0,0|1,0,0]=3 586 B6R0.2 CC(=O)\C=C(/C)[O-] E70001 [0,2,0,0,0,0|1,0,0]=3 587 B6R0.2 CC(=O)\C=C(\C)N A11050 [0,2,0,0,0,0|1,0,0]=3 588 B6R0.2 CC(=O)\C=C(\C)[O-] AC1284 [0,2,0,0,0,0|1,0,0]=3 589 B6R0.2 CC(=O)\C=C(\C)[O-] D70887 [0,2,0,0,0,0|1,0,0]=3 590 B6R0.2 CC(=O)\C=C(\C)[O-] D80380 [0,2,0,0,0,0|1,0,0]=3 591 B6R0.2 CC(=O)\C=C(\C)[O-] D91066 [0,2,0,0,0,0|1,0,0]=3 592 B6R0.2 CC(=O)\C=C(\C)[O-] D92375 [0,2,0,0,0,0|1,0,0]=3 593 B6R0.2 CC(=O)\C=C(\C)[O-] H10683 [0,2,0,0,0,0|1,0,0]=3 594 B6R0.2 CC(=O)\C=C(\C)[O-] H10696 [0,2,0,0,0,0|1,0,0]=3 595 B6R0.2 CC(=O)\C=C(\C)[O-] H11255 [0,2,0,0,0,0|1,0,0]=3 596 B6R0.2 CC(=O)\C=C(\C)[O-] H11309 [0,2,0,0,0,0|1,0,0]=3 597 B6R0.2 CC(=O)\C=C(\C)[O-] T70257 [0,2,0,0,0,0|1,0,0]=3 598 B6R0.2 CC(C)=CC(=O)O D78089 [0,2,0,0,0,0|2,0,0]=4 599 B6R0.2 CC(C)=NN(C)C D88379 [0,2,0,0,0,0|2,0,0]=4 600 B6R0.2 CC(C)CC(=O)O D78213 [0,2,0,0,0,0|2,0,0]=4 601 B6R0.2 CC(C)OC(=S)[S-] D91095 [0,2,0,0,0,0|1,1,0]=4 602 B6R0.2 CC(C)OC(N)=O D81825 [0,2,0,0,0,0|1,0,0]=3 603 B6R0.2 CN(C)CC(=O)Cl A50815 [0,2,0,0,0,0|2,0,0]=4 604 B6R0.2 CN(C)CC(=O)O 28781 [0,2,0,0,0,0|2,0,0]=4 605 B6R0.2 CN(C)CC(=O)O 73674 [0,2,0,0,0,0|2,0,0]=4 606 B6R0.2 C[C@H](Cl)CC(=O)Cl AC1766 [0,2,0,0,0,0|2,0,0]=4 607 B6R0.2 C[C@H](Cl)CC(=O)O D89206 [0,2,0,0,0,0|2,0,0]=4 608 B6R0.2 C[C@H](Cl)OC(=O)Cl D78332 [0,2,0,0,0,0|1,0,0]=3 609 B6R0.2 C[C@H](N)CC(=O)O 62356 [0,2,0,0,0,0|2,0,0]=4 610 B6R0.2 C[C@H](N)CC(=O)O 62357 [0,2,0,0,0,0|2,0,0]=4 611 B6R0.2 C[C@H](N)CC(=O)O 62358 [0,2,0,0,0,0|2,0,0]=4 612 B6R0.2 C[C@H](N)CC(=O)O 62359 [0,2,0,0,0,0|2,0,0]=4 613 B6R0.2 C[C@H](N)CC(=O)O 62363 [0,2,0,0,0,0|2,0,0]=4 614 B6R0.2 C[C@H](O)CC(=O)O D84191 [0,2,0,0,0,0|2,0,0]=4 615 B6R0.2 C[C@H](O)CC(=O)O O10175 [0,2,0,0,0,0|2,0,0]=4 616 B6R0.2 C[C@H](O)CC(=O)[O-] 23392 [0,2,0,0,0,0|2,0,0]=4 617 B6R0.2 C[C@H](O)CC(=O)[O-] H10236 [0,2,0,0,0,0|2,0,0]=4 618 B6R0.2 C[Si](C)O[Si](C)C D78156 [0,2,0,0,0,0|1,1,0]=4 619 B6R0.3 C#CC(=O)N(C)C D93417 [0,2,0,0,0,0|1,0,1]=4 620 B6R0.3 C=C(Br)C(=O)OC 20801 [0,2,0,0,0,0|0,0,1]=3 621 B6R0.3 C=C(Cl)C(=O)OC AB9663 [0,2,0,0,0,0|0,0,1]=3 622 B6R0.3 C=C(F)C(=O)OC 35790 [0,2,0,0,0,0|0,0,1]=3 623 B6R0.3 C=CC(=O)N(C)C D70136 [0,2,0,0,0,0|1,0,1]=4 624 B6R0.3 C=CC(=O)N(C)C D78231 [0,2,0,0,0,0|1,0,1]=4 625 B6R0.3 C=CN(C)C(C)=O D78236 [0,2,0,0,0,0|1,0,0]=3 626 B6R0.3 CC(=O)C(=O)CBr 23277 [0,2,0,0,0,0|1,0,0]=3 627 B6R0.3 CC(=O)[C@H](C)C#N 50820 [0,2,0,0,0,0|1,0,0]=3 628 B6R0.3 CC(=O)\C(C)=N\O F21281 [0,2,0,0,0,0|1,0,0]=3 629 B6R0.3 CC(C)C(=O)CBr 24581 [0,2,0,0,0,0|1,0,0]=3 630 B6R0.3 CC(C)C(=O)NN 71035 [0,2,0,0,0,0|2,0,0]=4 631 B6R0.3 CCC(=O)C(=O)O O10846 [0,2,0,0,0,0|1,0,1]=4 632 B6R0.3 CCC(=O)C(=O)[O-] TD8090 [0,2,0,0,0,0|1,0,1]=4 633 B6R0.3 CCC(=O)N(C)C A10841 [0,2,0,0,0,0|1,0,0]=3 634 B6R0.3 CCC(=O)[C@H](C)Br T71350 [0,2,0,0,0,0|1,0,0]=3 635 B6R0.3 CCC(=S)N(C)C D81484 [0,2,0,0,0,0|1,1,0]=4 636 B6R0.3 CCN(C)C(=O)Cl F20387 [0,2,0,0,0,0|2,0,0]=4 637 B6R0.3 CC[C@H](Br)C(=O)Br D88666 [0,2,0,0,0,0|2,0,0]=4 638 B6R0.3 CC[C@H](Br)C(=O)Cl D89047 [0,2,0,0,0,0|2,0,0]=4 639 B6R0.3 CC[C@H](Br)C(=O)O P18633 [0,2,0,0,0,0|2,0,0]=4 640 B6R0.3 CC[C@H](Br)C(=O)O P18634 [0,2,0,0,0,0|2,0,0]=4 641 B6R0.3 CC[C@H](Br)C(N)=O F30757 [0,2,0,0,0,0|2,0,0]=4 642 B6R0.3 CC[C@H](C)C(=O)O 88657 [0,2,0,0,0,0|1,0,1]=4 643 B6R0.3 CC[C@H](C)C(=O)O 88663 [0,2,0,0,0,0|1,0,1]=4 644 B6R0.3 CC[C@H](Cl)C(=O)O D89205 [0,2,0,0,0,0|2,0,0]=4 645 B6R0.3 CC[C@H](N)C(=O)O 11781 [0,2,0,0,0,0|2,0,0]=4 646 B6R0.3 CC[C@H](N)C(=O)O 23105 [0,2,0,0,0,0|2,0,0]=4 647 B6R0.3 CC[C@H](N)C(=O)O 25309 [0,2,0,0,0,0|2,0,0]=4 648 B6R0.3 CC[C@H](N)C(=O)O 80046 [0,2,0,0,0,0|2,0,0]=4 649 B6R0.3 CC[C@H](N)C(N)=O F11533 [0,2,0,0,0,0|2,0,0]=4 650 B6R0.3 CC[C@H](O)C(=O)O 24676 [0,2,0,0,0,0|2,0,0]=4 651 B6R0.3 CC[C@H](O)C(=O)O A11368 [0,2,0,0,0,0|2,0,0]=4 652 B6R0.3 CC[C@H](O)C(=O)O D90822 [0,2,0,0,0,0|2,0,0]=4 653 B6R0.3 CC[C@H](O)C(=O)[O-] S10336 [0,2,0,0,0,0|2,0,0]=4 654 B6R0.3 CC[C@H](O)C(=O)[O-] S10400 [0,2,0,0,0,0|2,0,0]=4 655 B6R0.3 CN(C)C(=O)CBr 36126 [0,2,0,0,0,0|1,0,0]=3 656 B6R0.3 CN(C)C(=O)CCl 28569 [0,2,0,0,0,0|1,0,0]=3 657 B6R0.3 CN(C)C(=O)CN 24099 [0,2,0,0,0,0|1,0,0]=3 658 B6R0.3 CN(C)C(=O)CN S10593 [0,2,0,0,0,0|1,0,0]=3 659 B6R0.3 CN(C)C(=O)CO C77616 [0,2,0,0,0,0|1,0,0]=3 660 B6R0.3 CN(N=O)C(N)=O 29290 [0,2,0,0,0,0|2,0,0]=4 661 B6R0.3 CNC(=O)C(=O)O W11373 [0,2,0,0,0,0|1,0,1]=4 662 B6R0.3 CN[C@@H](C)C(=O)O 28475 [0,2,0,0,0,0|1,0,1]=4 663 B6R0.3 CN[C@@H](C)C(=O)O FD21004 [0,2,0,0,0,0|1,0,1]=4 664 B6R0.3 CN[C@@H](C)C(=O)O FD21006 [0,2,0,0,0,0|1,0,1]=4 665 B6R0.3 COC(=O)C(=N)N 71857 [0,2,0,0,0,0|0,0,1]=3 666 B6R0.3 COC(=O)C(=O)Cl 28805 [0,2,0,0,0,0|0,0,1]=3 667 B6R0.3 COC(=O)C(=O)[O-] S12240 [0,2,0,0,0,0|0,0,1]=3 668 B6R0.3 COC(=O)C(F)F D91567 [0,2,0,0,0,0|0,0,0]=2 669 B6R0.3 COC(=O)[C@H](C)Cl 63239 [0,2,0,0,0,0|0,0,0]=2 670 B6R0.3 COC(=O)[C@H](C)Cl O10227 [0,2,0,0,0,0|0,0,0]=2 671 B6R0.3 COC(=O)[C@H](C)N AB10084 [0,2,0,0,0,0|0,0,0]=2 672 B6R0.3 COC(=O)[C@H](C)N AC7812 [0,2,0,0,0,0|0,0,0]=2 673 B6R0.3 COC(=O)[C@H](C)N FD21010 [0,2,0,0,0,0|0,0,0]=2 674 B6R0.3 COC(=O)[C@H](C)O C10549 [0,2,0,0,0,0|0,0,0]=2 675 B6R0.3 COC(=O)[C@H](C)O F11215 [0,2,0,0,0,0|0,0,0]=2 676 B6R0.3 COC(C)C(C)O 78000 [0,2,0,0,0,0|0,0,2]=4 677 B6R0.3 CON(C)C(=O)Cl D91579 [0,2,0,0,0,0|1,0,0]=3 678 B6R0.3 CON(C)C(C)=O O12025 [0,2,0,0,0,0|0,0,0]=2 679 B6R0.3 CO[C@@H](C)C(=O)O 25435 [0,2,0,0,0,0|0,0,1]=3 680 B6R0.3 CO[C@@H](C)C(=O)O 77786 [0,2,0,0,0,0|0,0,1]=3 681 B6R0.3 CO[C@@H](C)C(=O)O CS1158 [0,2,0,0,0,0|0,0,1]=3 682 B6R0.3 C[C@@H](CBr)C(=O)O A10794 [0,2,0,0,0,0|2,0,0]=4 683 B6R0.3 C[C@@H](CN)C(=O)O 22851 [0,2,0,0,0,0|2,0,0]=4 684 B6R0.3 C[C@@H](CN)C(=O)O 52204 [0,2,0,0,0,0|2,0,0]=4 685 B6R0.3 C[C@@H](CS)C(=O)O D91461 [0,2,0,0,0,0|2,0,0]=4 686 B6R0.3 C\C=C(/C)C(=O)Cl F11166 [0,2,0,0,0,0|1,0,0]=3 687 B6R0.3 C\C=C(/C)C(=O)O D78012 [0,2,0,0,0,0|1,0,0]=3 688 B6R0.3 C\C=C(\C)C(=O)O 11732 [0,2,0,0,0,0|1,0,0]=3 689 B6R0.3 NC(=O)[C@@H](Br)CBr D95258 [0,2,0,0,0,0|2,0,0]=4 690 B6R0.3 NC(=O)[C@@H](Cl)CCl D89971 [0,2,0,0,0,0|2,0,0]=4 691 B6R0.3 NC(=O)[C@@H](N)CO 71065 [0,2,0,0,0,0|2,0,0]=4 692 B6R0.3 NC(=O)[C@@H](N)CO FD3061 [0,2,0,0,0,0|2,0,0]=4 693 B6R0.3 NC[C@H](N)C(=O)O 22838 [0,2,0,0,0,0|2,0,0]=4 694 B6R0.3 NC[C@H](N)C(=O)O 51944 [0,2,0,0,0,0|2,0,0]=4 695 B6R0.3 NC[C@H](N)C(=O)O 51945 [0,2,0,0,0,0|2,0,0]=4 696 B6R0.3 NC[C@H](N)C(=O)O FD1046 [0,2,0,0,0,0|2,0,0]=4 697 B6R0.3 NC[C@H](O)C(=O)O 50049 [0,2,0,0,0,0|2,0,0]=4 698 B6R0.3 NC[C@H](O)C(=O)O C10711 [0,2,0,0,0,0|2,0,0]=4 699 B6R0.3 N[C@@H](CCl)C(=O)O 77992 [0,2,0,0,0,0|2,0,0]=4 700 B6R0.3 N[C@@H](CCl)C(=O)O F11547 [0,2,0,0,0,0|2,0,0]=4 701 B6R0.3 N[C@@H](CCl)C(=O)O FD21123 [0,2,0,0,0,0|2,0,0]=4 702 B6R0.3 N[C@@H](CO)C(=O)O 29580 [0,2,0,0,0,0|2,0,0]=4 703 B6R0.3 N[C@@H](CO)C(=O)O 30744 [0,2,0,0,0,0|2,0,0]=4 704 B6R0.3 N[C@@H](CO)C(=O)O D70822 [0,2,0,0,0,0|2,0,0]=4 705 B6R0.3 N[C@@H](CS)C(=O)O 22868 [0,2,0,0,0,0|2,0,0]=4 706 B6R0.3 N[C@@H](CS)C(=O)O 24506 [0,2,0,0,0,0|2,0,0]=4 707 B6R0.3 N[C@@H](CS)C(=O)O 37900 [0,2,0,0,0,0|2,0,0]=4 708 B6R0.3 N[C@@H](CS)C(=O)O AC8040 [0,2,0,0,0,0|2,0,0]=4 709 B6R0.3 N[C@@H](CS)C(=O)O E72644 [0,2,0,0,0,0|2,0,0]=4 710 B6R0.3 N[C@@H](CS)C(=O)O FD21265 [0,2,0,0,0,0|2,0,0]=4 711 B6R0.3 N[C@@H](CS)C(=O)O FD21267 [0,2,0,0,0,0|2,0,0]=4 712 B6R0.3 N[C@@H](CS)C(=O)O FD21272 [0,2,0,0,0,0|2,0,0]=4 713 B6R0.3 N[C@@H](CS)C(=O)O FD3010 [0,2,0,0,0,0|2,0,0]=4 714 B6R0.3 O=C(Cl)[C@@H](Br)CBr D78346 [0,2,0,0,0,0|2,0,0]=4 715 B6R0.3 O=C(O)C(=O)CBr 21724 [0,2,0,0,0,0|2,0,0]=4 716 B6R0.3 O=C(O)[C@@H](Br)CBr O10565 [0,2,0,0,0,0|2,0,0]=4 717 B6R0.3 O=C(O)[C@@H](Br)CO AB10178 [0,2,0,0,0,0|2,0,0]=4 718 B6R0.3 O=C(O)[C@@H](Cl)CCl D89648 [0,2,0,0,0,0|2,0,0]=4 719 B6R0.3 O=C(O)[C@@H](O)CO A51166 [0,2,0,0,0,0|2,0,0]=4 720 B6R0.4 C#CCCC(=O)O 90045 [0,2,0,0,0,0|2,0,0]=4 721 B6R0.4 C#CCNC(N)=O T72567 [0,2,0,0,0,0|2,0,0]=4 722 B6R0.4 C#CCOC(C)=O 36884 [0,2,0,0,0,0|0,0,0]=2 723 B6R0.4 C=C(C)CNCC D95542 [0,2,0,0,0,0|2,0,0]=4 724 B6R0.4 C=CCCC(=O)O O12040 [0,2,0,0,0,0|2,0,0]=4 725 B6R0.4 C=CCOC(=O)Cl D87847 [0,2,0,0,0,0|1,0,0]=3 726 B6R0.4 C=CCOC(N)=O D97550 [0,2,0,0,0,0|1,0,0]=3 727 B6R0.4 CC(=O)CCCCl D77754 [0,2,0,0,0,0|1,0,0]=3 728 B6R0.4 CC(=O)CCCO 24602 [0,2,0,0,0,0|1,0,0]=3 729 B6R0.4 CC(=O)NCCN D70867 [0,2,0,0,0,0|1,0,0]=3 730 B6R0.4 CC(=O)NCCO FD10637 [0,2,0,0,0,0|1,0,0]=3 731 B6R0.4 CC(=O)NCCS AT13754 [0,2,0,0,0,0|1,0,0]=3 732 B6R0.4 CC(=O)OCCBr C10198 [0,2,0,0,0,0|0,0,0]=2 733 B6R0.4 CC(=O)OCCCl D88201 [0,2,0,0,0,0|0,0,0]=2 734 B6R0.4 CC(=O)OCCO D88371 [0,2,0,0,0,0|0,0,0]=2 735 B6R0.4 CC(C)=CCCBr F19983 [0,2,0,0,0,0|2,0,0]=4 736 B6R0.4 CCC#CC(=O)O D84135 [0,2,0,0,0,0|2,0,0]=4 737 B6R0.4 CCCCC(=O)[O-] F16484 [0,2,0,0,0,0|2,0,0]=4 738 B6R0.4 CCCCC(N)=O A10835 [0,2,0,0,0,0|2,0,0]=4 739 B6R0.4 CCCNC(C)=O D97464 [0,2,0,0,0,0|1,0,0]=3 740 B6R0.4 CCCOC(=S)[S-] D91970 [0,2,0,0,0,0|1,1,0]=4 741 B6R0.4 CCCOC(N)=O F16337 [0,2,0,0,0,0|1,0,0]=3 742 B6R0.4 CCCSC(C)=O D92148 [0,2,0,0,0,0|0,1,0]=3 743 B6R0.4 CCOCC(C)C D93520 [0,2,0,0,0,0|1,0,1]=4 744 B6R0.4 CCSCC(=O)O D95699 [0,2,0,0,0,0|1,1,0]=4 745 B6R0.4 CC\C=C\C(=O)O D72497 [0,2,0,0,0,0|2,0,0]=4 746 B6R0.4 CC\C=C\C(=O)O P17755 [0,2,0,0,0,0|2,0,0]=4 747 B6R0.4 CNCCC(=O)O 29150 [0,2,0,0,0,0|2,0,0]=4 748 B6R0.4 CNCCC(=O)O C76064 [0,2,0,0,0,0|2,0,0]=4 749 B6R0.4 COCCC(=N)N W16180 [0,2,0,0,0,0|2,0,0]=4 750 B6R0.4 COCCC(=O)O F14687 [0,2,0,0,0,0|1,0,0]=3 751 B6R0.4 COCCN(C)C A11162 [0,2,0,0,0,0|2,0,0]=4 752 B6R0.4 CO\C=C\C(C)=O D78013 [0,2,0,0,0,0|0,0,0]=2 753 B6R0.4 CO\C=C\C(C)=O F50213 [0,2,0,0,0,0|0,0,0]=2 754 B6R0.4 CSCCC(=O)O D87669 [0,2,0,0,0,0|1,1,0]=4 755 B6R0.4 CSCCC(C)=O D91573 [0,2,0,0,0,0|0,1,0]=3 756 B6R0.4 CSCOC(C)=O D88428 [0,2,0,0,0,0|0,0,0]=2 757 B6R0.4 C\C=C\CC(=O)O D92067 [0,2,0,0,0,0|2,0,0]=4 758 B6R0.4 N#CCCC(=O)O 81998 [0,2,0,0,0,0|2,0,0]=4 759 B6R0.4 NC(=O)NCCO C10765 [0,2,0,0,0,0|2,0,0]=4 760 B6R0.4 NCCCC(=O)O D70585 [0,2,0,0,0,0|2,0,0]=4 761 B6R0.4 NCCNC(N)=O D83060 [0,2,0,0,0,0|2,0,0]=4 762 B6R0.4 O=C(Cl)CCCBr P19996 [0,2,0,0,0,0|2,0,0]=4 763 B6R0.4 O=C(Cl)OCCCl AT19702 [0,2,0,0,0,0|1,0,0]=3 764 B6R0.4 O=C(O)C#CCO 25830 [0,2,0,0,0,0|2,0,0]=4 765 B6R0.4 O=C(O)CCCBr 20498 [0,2,0,0,0,0|2,0,0]=4 766 B6R0.4 O=C(O)CCCCl F19286 [0,2,0,0,0,0|2,0,0]=4 767 B6R0.4 O=C(O)CCCS F20547 [0,2,0,0,0,0|2,0,0]=4 768 B6R0.4 O=C(O)\C=C\CBr 84952 [0,2,0,0,0,0|2,0,0]=4 769 B6R0.5 CCOS(C)(=O)=O H10715 [0,2,0,0,0,0|1,0,0]=3 770 B6R0.5 COCC(C)(C)N 28354 [0,2,0,0,0,0|1,0,1]=4 771 B6R0.5 COCC(C)(C)N 32588 [0,2,0,0,0,0|1,0,1]=4 772 B6R0.5 COCC(C)(C)O 67570 [0,2,0,0,0,0|0,0,2]=4 773 B6R0.5 CS(=O)(=O)CCCl 72256 [0,2,0,0,0,0|2,0,0]=4 774 B6R0.5 CS(=O)(=O)CCN AR2651 [0,2,0,0,0,0|2,0,0]=4 775 B6R0.5 CS(=O)(=O)CCN C77681 [0,2,0,0,0,0|2,0,0]=4 776 B6R0.5 CS(=O)(=O)CCO D73179 [0,2,0,0,0,0|2,0,0]=4 777 B6R0.5 O=S(=O)(Cl)OCCl CL4517 [0,2,0,0,0,0|2,0,0]=4 778 B6R0.8 CCS(=O)(=O)OC A10853 [0,2,0,0,0,0|1,0,0]=3 779 B6R0.8 COC(C)(C)CO I10175 [0,2,0,0,0,0|0,0,2]=4 780 B6R0.8 CO[Si](C)(C)CCl I11033 [0,2,0,0,0,0|1,1,0]=4 781 B6R0.9 C=CC(OC)OC A10988 [0,2,0,0,0,0|1,0,1]=4 782 B6R0.9 CCN(C=O)CC A10832 [0,2,0,0,0,0|2,0,0]=4 783 B6R0.9 CCN(CC)N=O F14922 [0,2,0,0,0,0|2,0,0]=4 784 B6R0.9 COC(C=O)OC D70286 [0,2,0,0,0,0|0,0,1]=3 785 B6R0.9 COC(CBr)OC P16529 [0,2,0,0,0,0|0,0,2]=4 786 B6R0.9 COC(CN)OC D72504 [0,2,0,0,0,0|0,0,2]=4 787 B6R0.9 COC(CO)OC 36713 [0,2,0,0,0,0|0,0,2]=4 788 B6R0.7 CC(=O)C(C)(C)Br F20882 [0,2,0,0,0,0|1,0,0]=3 789 B6R0.7 CC(=O)C(C)(C)O D88126 [0,2,0,0,0,0|1,0,0]=3 790 B6R0.7 CC(=O)C(Cl)(Cl)Cl D92479 [0,2,0,0,0,0|2,0,0]=4 791 B6R0.7 CC(=O)C(F)(F)F F10887 [0,2,0,0,0,0|2,0,0]=4 792 B6R0.7 CC(C)(Br)C(=O)Br H11248 [0,2,0,0,0,0|2,0,0]=4 793 B6R0.7 CC(C)(Br)C(N)=O 29749 [0,2,0,0,0,0|2,0,0]=4 794 B6R0.7 CC(C)(C)C(=O)O D78007 [0,2,0,0,0,0|2,0,0]=4 795 B6R0.7 CC(C)(C)C(=O)[O-] D70697 [0,2,0,0,0,0|2,0,0]=4 796 B6R0.7 CC(C)(C)C(=O)[O-] D97172 [0,2,0,0,0,0|2,0,0]=4 797 B6R0.7 CC(C)(C)C(=O)[O-] F16483 [0,2,0,0,0,0|2,0,0]=4 798 B6R0.7 CC(C)(C)C(=O)[O-] H10729 [0,2,0,0,0,0|2,0,0]=4 799 B6R0.7 CC(C)(C)C(=O)[O-] T70538 [0,2,0,0,0,0|2,0,0]=4 800 B6R0.7 CC(C)(C)C(N)=O AC2528 [0,2,0,0,0,0|2,0,0]=4 801 B6R0.7 CC(C)(F)C(=O)O 83418 [0,2,0,0,0,0|2,0,0]=4 802 B6R0.7 CC(C)(N)C(=O)O AC8052 [0,2,0,0,0,0|2,0,0]=4 803 B6R0.7 CC(C)(N)C(N)=O 32273 [0,2,0,0,0,0|2,0,0]=4 804 B6R0.7 CC(C)(O)C(=O)O S12287 [0,2,0,0,0,0|2,0,0]=4 805 B6R0.7 CC(C)(O)C(N)=O AC8009 [0,2,0,0,0,0|2,0,0]=4 806 B6R0.7 CC(C)S(C)(=O)=O D91166 [0,2,0,0,0,0|2,0,0]=4 807 B6R0.7 CC(Cl)(Cl)C(=O)Cl D80928 [0,2,0,0,0,0|2,0,0]=4 808 B6R0.7 CC(F)(F)C(=O)O FD2064 [0,2,0,0,0,0|2,0,0]=4 809 B4R1.1 C1CNC1 29084 [1,0,0,1,0,0|1,0,1]=4 810 B4R1.2 C[C@H]1CS1 D91944 [1,0,0,1,0,0|0,1,1]=4 811 B6R1.2 Br[C@H]1CCOC1 25079 [0,1,0,1,0,0|1,0,1]=4 812 B6R1.2 CC1=CC=NO1 F14932 [0,1,0,1,0,0|1,0,1]=4 813 B6R1.2 CC1=CCC=C1 F13190 [0,1,0,1,0,0|2,0,0]=4 814 B6R1.2 CC1=COC=N1 P11074 [0,1,0,1,0,0|1,0,1]=4 815 B6R1.2 CC1=NCCC1 35340 [0,1,0,1,0,0|2,0,0]=4 816 B6R1.2 CC1=NCCN1 S11926 [0,1,0,1,0,0|2,0,0]=4 817 B6R1.2 CC1=NCCO1 F16112 [0,1,0,1,0,0|1,0,0]=3 818 B6R1.2 CC1=NCCS1 D91305 [0,1,0,1,0,0|1,1,0]=4 819 B6R1.2 CC1=NN=CO1 F13450 [0,1,0,1,0,0|1,0,1]=4 820 B6R1.2 CC1=NON=C1 C15436 [0,1,0,1,0,0|2,0,0]=4 821 B6R1.2 C[C@H]1CCOC1 F16704 [0,1,0,1,0,0|1,0,1]=4 822 B6R1.2 ClP1OCCO1 D89371 [0,1,0,1,0,0|2,0,0]=4 823 B6R1.2 I[C@H]1CCOC1 82009 [0,1,0,1,0,0|1,0,1]=4 824 B6R1.2 N=C1CCCS1 H10471 [0,1,0,1,0,0|1,1,0]=4 825 B6R1.2 NC1=NCCC1 23751 [0,1,0,1,0,0|2,0,0]=4 826 B6R1.2 NC1=NCCS1 H11788 [0,1,0,1,0,0|1,1,0]=4 827 B6R1.2 N[C@H]1CCOC1 24756 [0,1,0,1,0,0|1,0,1]=4 828 B6R1.2 N[C@H]1CCOC1 29281 [0,1,0,1,0,0|1,0,1]=4 829 B6R1.2 N[C@H]1CCOC1 37020 [0,1,0,1,0,0|1,0,1]=4 830 B6R1.2 N[C@H]1CCOC1 37021 [0,1,0,1,0,0|1,0,1]=4 831 B6R1.2 N[C@H]1CCOC1 53315 [0,1,0,1,0,0|1,0,1]=4 832 B6R1.2 N[C@H]1CCOC1 SC1299 [0,1,0,1,0,0|1,0,1]=4 833 B6R1.2 O=C1C=CCC1 23169 [0,1,0,1,0,0|1,0,0]=3 834 B6R1.2 O=C1C=CCO1 20453 [0,1,0,1,0,0|0,0,1]=3 835 B6R1.2 O=C1CC=CC1 68366 [0,1,0,1,0,0|1,0,1]=4 836 B6R1.2 O=C1CC=NN1 26372 [0,1,0,1,0,0|1,0,1]=4 837 B6R1.2 O=C1CCCN1 D95709 [0,1,0,1,0,0|1,0,0]=3 838 B6R1.2 O=C1CCCN1 D96808 [0,1,0,1,0,0|1,0,0]=3 839 B6R1.2 O=C1CCNC1 65410 [0,1,0,1,0,0|1,0,0]=3 840 B6R1.2 O=C1CCNN1 F15485 [0,1,0,1,0,0|1,0,0]=3 841 B6R1.2 O=C1CCOC1 28102 [0,1,0,1,0,0|0,0,0]=2 842 B6R1.2 O=C1CCSC1 37995 [0,1,0,1,0,0|0,1,0]=3 843 B6R1.2 O=C1NCCN1 D71145 [0,1,0,1,0,0|1,0,0]=3 844 B6R1.2 O=C1NCCO1 C93484 [0,1,0,1,0,0|0,0,0]=2 845 B6R1.2 O=C1NCCS1 35133 [0,1,0,1,0,0|0,1,0]=3 846 B6R1.2 O=C1OC=CO1 28756 [0,1,0,1,0,0|0,0,2]=4 847 B6R1.2 O=C1OCCO1 D72525 [0,1,0,1,0,0|0,0,0]=2 848 B6R1.2 O=S1CCCC1 D92307 [0,1,0,1,0,0|2,0,0]=4 849 B6R1.2 O=S1OCCO1 AC7916 [0,1,0,1,0,0|1,0,0]=3 850 B6R1.2 OC1=NNCC1 I10060 [0,1,0,1,0,0|1,0,1]=4 851 B6R1.2 O[C@@H]1CCCO1 31275 [0,1,0,1,0,0|0,0,2]=4 852 B6R1.2 O[C@H]1CCOC1 37369 [0,1,0,1,0,0|0,0,2]=4 853 B6R1.2 O[C@H]1CCOC1 66692 [0,1,0,1,0,0|0,0,2]=4 854 B6R1.2 O[C@H]1CCOC1 66694 [0,1,0,1,0,0|0,0,2]=4 855 B6R1.2 S=C1CCCN1 D95546 [0,1,0,1,0,0|1,1,0]=4 856 B6R1.2 S=C1NCCN1 A10690 [0,1,0,1,0,0|1,1,0]=4 857 B6R1.2 S=C1NCCO1 79469 [0,1,0,1,0,0|0,1,0]=3 858 B6R1.2 S=C1SCCS1 D90483 [0,1,0,1,0,0|0,2,0]=4 859 B6R1.3 COC[C@H]1CO1 D90741 [0,1,0,1,0,0|0,0,2]=4 860 B6R1.3 COC[C@H]1CO1 D90742 [0,1,0,1,0,0|0,0,2]=4 861 B6R1.3 COC[C@H]1CO1 F11173 [0,1,0,1,0,0|0,0,2]=4 862 B6R1.5 NC1CC(=O)C1 33403 [0,1,0,1,0,0|1,0,0]=3 863 B6R1.5 O=C1CC(Br)C1 38627 [0,1,0,1,0,0|1,0,0]=3 864 B6R1.10 CC1(N)COC1 36209 [0,1,0,1,0,0|1,0,1]=4 865 B6R1.10 CC1(O)COC1 69106 [0,1,0,1,0,0|0,0,2]=4 866 B6R1.11 CC(=O)C1CC1 79965 [0,1,0,1,0,0|1,0,0]=3 867 B6R1.11 NC(=O)C1CC1 R10019 [0,1,0,1,0,0|2,0,0]=4 868 B6R1.11 O=C(Cl)C1CC1 D78023 [0,1,0,1,0,0|2,0,0]=4 869 B6R1.11 O=C(O)C1CC1 44496 [0,1,0,1,0,0|2,0,0]=4 870 B6R1.11 O=C([O-])[C@@H]1CO1 RB3380 [0,1,0,1,0,0|1,0,0]=3 871 B6R1.6 COC1CNC1 34638 [0,1,0,1,0,0|1,0,1]=4 872 B6R1.6 COC1CNC1 63504 [0,1,0,1,0,0|1,0,1]=4 873 B6R1.6 IC[C@H]1CCO1 30641 [0,1,0,1,0,0|1,0,1]=4 874 B6R1.6 NC[C@H]1CCO1 32892 [0,1,0,1,0,0|1,0,1]=4 875 B6R1.6 O=CC1CCC1 83143 [0,1,0,1,0,0|1,0,1]=4 876 B6R1.7 C=C[C@]1(C)CO1 11393 [0,1,0,1,0,0|1,0,1]=4 877 B6R1.7 C[C@]1(CCl)CO1 29677 [0,1,0,1,0,0|1,0,1]=4