0 B5R0.2 BrCCCCBr D77910 [0,0,0,0,0,0|2,0,0]=2 1 B5R0.2 BrC\C=C\CBr D72529 [0,0,0,0,0,0|2,0,2]=4 2 B5R0.2 BrC\C=C\CBr F16803 [0,0,0,0,0,0|2,0,2]=4 3 B5R0.2 C#CCCCC 75209 [0,0,0,0,0,0|1,0,1]=2 4 B5R0.2 C#CCCCCl 76259 [0,0,0,0,0,0|1,0,2]=3 5 B5R0.2 C#CCCCO 32105 [0,0,0,0,0,0|0,0,2]=2 6 B5R0.2 C=CCCCBr 78391 [0,0,0,0,0,0|1,0,2]=3 7 B5R0.2 C=CCCCCl O11411 [0,0,0,0,0,0|1,0,2]=3 8 B5R0.2 C=CCCCN 68255 [0,0,0,0,0,0|1,0,2]=3 9 B5R0.2 C=CCCCN 86153 [0,0,0,0,0,0|1,0,2]=3 10 B5R0.2 C=CCCCO 76184 [0,0,0,0,0,0|0,0,2]=2 11 B5R0.2 C=CCSSC D88486 [0,0,0,0,0,0|3,0,1]=4 12 B5R0.2 C=COCCO D78209 [0,0,0,0,0,0|1,0,2]=3 13 B5R0.2 CCC#CCO F19221 [0,0,0,0,0,0|0,0,2]=2 14 B5R0.2 CCCCNN F17594 [0,0,0,0,0,0|2,0,0]=2 15 B5R0.2 CCCCON H11431 [0,0,0,0,0,0|2,0,0]=2 16 B5R0.2 CCCNCC F21346 [0,0,0,0,0,0|2,0,0]=2 17 B5R0.2 CCNCCN AB11316 [0,0,0,0,0,0|2,0,0]=2 18 B5R0.2 CCNCCO 20098 [0,0,0,0,0,0|1,0,0]=1 19 B5R0.2 CCOCCCl 29431 [0,0,0,0,0,0|2,0,0]=2 20 B5R0.2 CCSCCCl D89330 [0,0,0,0,0,0|2,0,0]=2 21 B5R0.2 CCSSCC D89662 [0,0,0,0,0,0|3,0,0]=3 22 B5R0.2 CC\C=C\C#N D92033 [0,0,0,0,0,0|1,0,3]=4 23 B5R0.2 CC\C=C\C=O 11553 [0,0,0,0,0,0|0,0,4]=4 24 B5R0.2 CNCCC#N 75878 [0,0,0,0,0,0|2,0,1]=3 25 B5R0.2 CNCCCCl F16501 [0,0,0,0,0,0|2,0,0]=2 26 B5R0.2 CNCCCN 37144 [0,0,0,0,0,0|2,0,0]=2 27 B5R0.2 CNCCCO 36133 [0,0,0,0,0,0|1,0,0]=1 28 B5R0.2 CNCCNC 39416 [0,0,0,0,0,0|3,0,0]=3 29 B5R0.2 CNCCOC D70346 [0,0,0,0,0,0|3,0,0]=3 30 B5R0.2 CNCCSC AC2521 [0,0,0,0,0,0|3,0,0]=3 31 B5R0.2 COCCC#N D71223 [0,0,0,0,0,0|2,0,1]=3 32 B5R0.2 COCCCBr F11235 [0,0,0,0,0,0|2,0,0]=2 33 B5R0.2 COCCCCl H11766 [0,0,0,0,0,0|2,0,0]=2 34 B5R0.2 COCCCN D81053 [0,0,0,0,0,0|2,0,0]=2 35 B5R0.2 COCCNN 72234 [0,0,0,0,0,0|3,0,0]=3 36 B5R0.2 COCCOC D81126 [0,0,0,0,0,0|3,0,0]=3 37 B5R0.2 COCCOC D83907 [0,0,0,0,0,0|3,0,0]=3 38 B5R0.2 COCCOC F16635 [0,0,0,0,0,0|3,0,0]=3 39 B5R0.2 COCCON D82747 [0,0,0,0,0,0|3,0,0]=3 40 B5R0.2 CSCCCO 79218 [0,0,0,0,0,0|1,0,0]=1 41 B5R0.2 CSCCC[NH3+] D91382 [0,0,0,0,0,0|2,0,0]=2 42 B5R0.2 C\C=C/CCC D90857 [0,0,0,0,0,0|1,0,2]=3 43 B5R0.2 ClCC#CCCl H11321 [0,0,0,0,0,0|2,0,2]=4 44 B5R0.2 ClCCCCBr F11271 [0,0,0,0,0,0|2,0,0]=2 45 B5R0.2 ClCCCCI A10998 [0,0,0,0,0,0|2,0,0]=2 46 B5R0.2 ClCCOCCl 29087 [0,0,0,0,0,0|3,0,0]=3 47 B5R0.2 FCCCCBr D87758 [0,0,0,0,0,0|2,0,0]=2 48 B5R0.2 ICCCCI AC1274 [0,0,0,0,0,0|2,0,0]=2 49 B5R0.2 N#CCCCBr 35256 [0,0,0,0,0,0|2,0,1]=3 50 B5R0.2 N#CCCCCl 20443 [0,0,0,0,0,0|2,0,1]=3 51 B5R0.2 N#CCCNN F12186 [0,0,0,0,0,0|3,0,1]=4 52 B5R0.2 NCCCCBr 24475 [0,0,0,0,0,0|2,0,0]=2 53 B5R0.2 NCCCCN F17678 [0,0,0,0,0,0|2,0,0]=2 54 B5R0.2 NCCCCN N11902 [0,0,0,0,0,0|2,0,0]=2 55 B5R0.2 NCCCCO 51530 [0,0,0,0,0,0|1,0,0]=1 56 B5R0.2 NC\C=C/CCl C11378 [0,0,0,0,0,0|2,0,2]=4 57 B5R0.2 O=C=NCCCl D91119 [0,0,0,0,0,0|2,0,2]=4 58 B5R0.2 OCCCCBr 54526 [0,0,0,0,0,0|1,0,0]=1 59 B5R0.2 OCCCCCl F11085 [0,0,0,0,0,0|1,0,0]=1 60 B5R0.2 OCCCCI D81265 [0,0,0,0,0,0|1,0,0]=1 61 B5R0.2 OCCNCO D91013 [0,0,0,0,0,0|2,0,0]=2 62 B5R0.2 OC\C=C/CO D70059 [0,0,0,0,0,0|1,0,2]=3 63 B5R0.2 OC\C=C\CO 70835 [0,0,0,0,0,0|1,0,2]=3 64 B5R0.2 [N-]=[N+]=NCCO A12080 [0,0,0,0,0,0|3,0,0]=3 65 B4R0.2 C#CCCBr F11435 [1,0,0,0,0,0|1,0,2]=4 66 B4R0.2 C#CCCO 24606 [1,0,0,0,0,0|0,0,2]=3 67 B4R0.2 C#CCNC 76738 [1,0,0,0,0,0|1,0,2]=4 68 B4R0.2 C#CCOC AT19953 [1,0,0,0,0,0|1,0,2]=4 69 B4R0.2 C=CCCBr D78125 [1,0,0,0,0,0|1,0,2]=4 70 B4R0.2 C=CCCC FD10489 [1,0,0,0,0,0|0,0,2]=3 71 B4R0.2 C=CCCCl 43989 [1,0,0,0,0,0|1,0,2]=4 72 B4R0.2 C=CCCN 68196 [1,0,0,0,0,0|1,0,2]=4 73 B4R0.2 C=CCCO P16638 [1,0,0,0,0,0|0,0,2]=3 74 B4R0.2 C=CCNC F21270 [1,0,0,0,0,0|1,0,2]=4 75 B4R0.2 C=CCOC D88491 [1,0,0,0,0,0|1,0,2]=4 76 B4R0.2 C=CCSC D88380 [1,0,0,0,0,0|1,0,2]=4 77 B4R0.2 C=COCC P19610 [1,0,0,0,0,0|1,0,2]=4 78 B4R0.2 CC#CCBr 75180 [1,0,0,0,0,0|1,0,2]=4 79 B4R0.2 CC#CCO 75486 [1,0,0,0,0,0|0,0,2]=3 80 B4R0.2 CCCNC A10770 [1,0,0,0,0,0|1,0,0]=2 81 B4R0.2 CCCNN C10870 [1,0,0,0,0,0|2,0,0]=3 82 B4R0.2 CCN=C=S D94745 [1,0,0,0,0,0|1,1,1]=4 83 B4R0.2 CCNC=O F19558 [1,0,0,0,0,0|1,0,2]=4 84 B4R0.2 CCNCC D78025 [1,0,0,0,0,0|1,0,0]=2 85 B4R0.2 CCNCC D89842 [1,0,0,0,0,0|1,0,0]=2 86 B4R0.2 CCNCC D90318 [1,0,0,0,0,0|1,0,0]=2 87 B4R0.2 CCNOC D80678 [1,0,0,0,0,0|2,0,0]=3 88 B4R0.2 CCOCCl D89215 [1,0,0,0,0,0|2,0,0]=3 89 B4R0.2 CNCC#N 36732 [1,0,0,0,0,0|2,0,1]=4 90 B4R0.2 CNCCBr F13405 [1,0,0,0,0,0|2,0,0]=3 91 B4R0.2 CNCCCl 71064 [1,0,0,0,0,0|2,0,0]=3 92 B4R0.2 CNCCN D76853 [1,0,0,0,0,0|2,0,0]=3 93 B4R0.2 CNCCN SC1801 [1,0,0,0,0,0|2,0,0]=3 94 B4R0.2 COCC#N 35354 [1,0,0,0,0,0|2,0,1]=4 95 B4R0.2 COCCBr P19803 [1,0,0,0,0,0|2,0,0]=3 96 B4R0.2 COCCN F14847 [1,0,0,0,0,0|2,0,0]=3 97 B4R0.2 CSCC#N D91408 [1,0,0,0,0,0|2,0,1]=4 98 B4R0.2 CSCCBr 79497 [1,0,0,0,0,0|2,0,0]=3 99 B4R0.2 CSCCO 28828 [1,0,0,0,0,0|1,0,0]=2 100 B4R0.2 CSCSC D88765 [1,0,0,0,0,0|2,0,0]=3 101 B4R0.2 CSSSC D90187 [1,0,0,0,0,0|3,0,0]=4 102 B4R0.2 C\C=C/CC D91891 [1,0,0,0,0,0|0,0,2]=3 103 B4R0.2 C\C=C\OC 28751 [1,0,0,0,0,0|1,0,2]=4 104 B4R0.2 ClCCCI AC1314 [1,0,0,0,0,0|2,0,0]=3 105 B4R0.2 FCCCI S11237 [1,0,0,0,0,0|2,0,0]=3 106 B4R0.2 ICCCI A10836 [1,0,0,0,0,0|2,0,0]=3 107 B4R0.2 N#CCCBr 13138 [1,0,0,0,0,0|2,0,1]=4 108 B4R0.2 N#CCCN D77355 [1,0,0,0,0,0|2,0,1]=4 109 B4R0.2 N#CCCO D77638 [1,0,0,0,0,0|1,0,1]=3 110 B4R0.2 N#CCCS A10937 [1,0,0,0,0,0|1,1,1]=4 111 B4R0.2 NCCCBr AC7868 [1,0,0,0,0,0|2,0,0]=3 112 B4R0.2 NCCCCl D70608 [1,0,0,0,0,0|2,0,0]=3 113 B4R0.2 NCCCO D77871 [1,0,0,0,0,0|1,0,0]=2 114 B4R0.2 NCCON SC1781 [1,0,0,0,0,0|3,0,0]=4 115 B4R0.2 NNCCO D77684 [1,0,0,0,0,0|2,0,0]=3 116 B4R0.2 NOCCO 32348 [1,0,0,0,0,0|2,0,0]=3 117 B4R0.2 OCCCBr 36754 [1,0,0,0,0,0|1,0,0]=2 118 B4R0.2 OCCCF 61100 [1,0,0,0,0,0|1,0,0]=2 119 B4R0.2 OCCCI 75858 [1,0,0,0,0,0|1,0,0]=2 120 B4R0.2 SCCCS F20376 [1,0,0,0,0,0|1,1,0]=3 121 B6R0.1 C=C[C@@H](O)CCC D90922 [0,1,0,0,0,0|1,0,1]=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|1,0,1]=3 124 B6R0.1 CCCC(=O)NN O11707 [0,1,0,0,0,0|2,0,1]=4 125 B6R0.1 CCCC(=O)SC D91533 [0,1,0,0,0,0|2,0,1]=4 126 B6R0.1 CCC[C@@H](Cl)CC D76318 [0,1,0,0,0,0|1,0,0]=2 127 B6R0.1 CCC[C@H](C)CCl D89415 [0,1,0,0,0,0|1,0,0]=2 128 B6R0.1 CCC[C@H](N)CO A10468 [0,1,0,0,0,0|0,0,0]=1 129 B6R0.1 CCC[C@H](O)CO 73676 [0,1,0,0,0,0|0,0,0]=1 130 B6R0.1 CCOC(=N)CC W15737 [0,1,0,0,0,0|2,0,1]=4 131 B6R0.1 CCOC(=O)CN C93496 [0,1,0,0,0,0|2,0,1]=4 132 B6R0.1 CCOC(=O)CO 39380 [0,1,0,0,0,0|1,0,1]=3 133 B6R0.1 CCOC(=O)CS F21271 [0,1,0,0,0,0|1,1,1]=4 134 B6R0.1 CCO[C@@H](C)CC D88933 [0,1,0,0,0,0|2,0,0]=3 135 B6R0.1 CCO\C(C)=N\O 23036 [0,1,0,0,0,0|2,0,1]=4 136 B6R0.1 CCO\C(C)=N\O H10740 [0,1,0,0,0,0|2,0,1]=4 137 B6R0.1 CN(C=O)CCO AC2477 [0,1,0,0,0,0|2,0,1]=4 138 B6R0.1 CNC[C@H](O)CO CL4501 [0,1,0,0,0,0|1,0,0]=2 139 B6R0.1 COC(=O)CCBr AB7483 [0,1,0,0,0,0|2,0,1]=4 140 B6R0.1 COC(=O)CCCl D95821 [0,1,0,0,0,0|2,0,1]=4 141 B6R0.1 COC(=O)CCN S12362 [0,1,0,0,0,0|2,0,1]=4 142 B6R0.1 COC(=O)CCO 29940 [0,1,0,0,0,0|1,0,1]=3 143 B6R0.1 COC(=O)CCS D70327 [0,1,0,0,0,0|1,1,1]=4 144 B6R0.1 COC[C@@H](O)CO H10736 [0,1,0,0,0,0|1,0,0]=2 145 B6R0.1 COC[C@H](O)CCl D84795 [0,1,0,0,0,0|2,0,0]=3 146 B6R0.1 CO[C@@H](C)CCO D77758 [0,1,0,0,0,0|1,0,0]=2 147 B6R0.1 CS[C@@H](C)CC=O D91557 [0,1,0,0,0,0|1,0,2]=4 148 B6R0.1 C[C@H](CO)CCN 78036 [0,1,0,0,0,0|1,0,0]=2 149 B6R0.1 C[C@H](CO)CCO 63982 [0,1,0,0,0,0|1,0,0]=2 150 B6R0.1 C[C@H](CO)CCO 70021 [0,1,0,0,0,0|1,0,0]=2 151 B6R0.1 N#CC[C@H](O)CCl 23634 [0,1,0,0,0,0|2,0,1]=4 152 B6R0.1 N#CC[C@H](O)CCl F20410 [0,1,0,0,0,0|2,0,1]=4 153 B6R0.1 O=C(CCl)NCO O10755 [0,1,0,0,0,0|2,0,1]=4 154 B6R0.1 OCC[C@H](O)CCl D94503 [0,1,0,0,0,0|1,0,0]=2 155 B6R0.1 OCC[C@H](O)CO 56159 [0,1,0,0,0,0|1,0,0]=2 156 B6R0.1 OCC[C@H](O)CO 56160 [0,1,0,0,0,0|1,0,0]=2 157 B6R0.1 OCC[C@H](O)CO AC2226 [0,1,0,0,0,0|1,0,0]=2 158 B6R0.1 O[C@H](CBr)CCBr F14612 [0,1,0,0,0,0|2,0,0]=3 159 B6R0.4 C#CCCC(=O)O 90045 [0,1,0,0,0,0|0,0,3]=4 160 B6R0.4 C=C(C)CNCC D95542 [0,1,0,0,0,0|2,0,1]=4 161 B6R0.4 C=CCCC(=O)O O12040 [0,1,0,0,0,0|0,0,3]=4 162 B6R0.4 CC(=O)CCCCl D77754 [0,1,0,0,0,0|1,0,1]=3 163 B6R0.4 CC(=O)CCCO 24602 [0,1,0,0,0,0|0,0,1]=2 164 B6R0.4 CC(=O)NCCN D70867 [0,1,0,0,0,0|2,0,1]=4 165 B6R0.4 CC(=O)NCCO FD10637 [0,1,0,0,0,0|1,0,1]=3 166 B6R0.4 CC(=O)NCCS AT13754 [0,1,0,0,0,0|1,1,1]=4 167 B6R0.4 CC(=O)OCCBr C10198 [0,1,0,0,0,0|2,0,1]=4 168 B6R0.4 CC(=O)OCCCl D88201 [0,1,0,0,0,0|2,0,1]=4 169 B6R0.4 CC(=O)OCCO D88371 [0,1,0,0,0,0|1,0,1]=3 170 B6R0.4 CC(C)=CCCBr F19983 [0,1,0,0,0,0|1,0,2]=4 171 B6R0.4 CC(C)CCCBr O10389 [0,1,0,0,0,0|1,0,0]=2 172 B6R0.4 CC(C)CCCO F20439 [0,1,0,0,0,0|0,0,0]=1 173 B6R0.4 CC(C)NCCCl 20398 [0,1,0,0,0,0|2,0,0]=3 174 B6R0.4 CC(C)NCCO D78491 [0,1,0,0,0,0|1,0,0]=2 175 B6R0.4 CCC#CC(=O)O D84135 [0,1,0,0,0,0|0,0,3]=4 176 B6R0.4 CCCCB(O)O 33151 [0,1,0,0,0,0|1,0,0]=2 177 B6R0.4 CCCCC(=N)N 31933 [0,1,0,0,0,0|1,0,1]=3 178 B6R0.4 CCCCC(=N)N W16181 [0,1,0,0,0,0|1,0,1]=3 179 B6R0.4 CCCCC(=O)[O-] F16484 [0,1,0,0,0,0|0,0,2]=3 180 B6R0.4 CCCCC(N)=O A10835 [0,1,0,0,0,0|0,0,2]=3 181 B6R0.4 CCCNC(C)=O D97464 [0,1,0,0,0,0|1,0,2]=4 182 B6R0.4 CCCNC(N)=S D86341 [0,1,0,0,0,0|1,1,1]=4 183 B6R0.4 CCCOC(=S)[S-] D91970 [0,1,0,0,0,0|1,1,1]=4 184 B6R0.4 CCCOC(N)=O F16337 [0,1,0,0,0,0|1,0,2]=4 185 B6R0.4 CCCSC(C)=O D92148 [0,1,0,0,0,0|1,0,2]=4 186 B6R0.4 CCOCC(C)C D93520 [0,1,0,0,0,0|2,0,0]=3 187 B6R0.4 CCSCC(=O)O D95699 [0,1,0,0,0,0|1,0,1]=3 188 B6R0.4 CC\C=C\C(=O)O D72497 [0,1,0,0,0,0|0,0,3]=4 189 B6R0.4 CC\C=C\C(=O)O P17755 [0,1,0,0,0,0|0,0,3]=4 190 B6R0.4 CN(C)CCCBr 25428 [0,1,0,0,0,0|2,0,0]=3 191 B6R0.4 CN(C)CCCCl 23626 [0,1,0,0,0,0|2,0,0]=3 192 B6R0.4 CN(C)CCCCl AC7814 [0,1,0,0,0,0|2,0,0]=3 193 B6R0.4 CN(C)CCCS D93440 [0,1,0,0,0,0|1,1,0]=3 194 B6R0.4 CNCCC(=O)O 29150 [0,1,0,0,0,0|1,0,1]=3 195 B6R0.4 CNCCC(=O)O C76064 [0,1,0,0,0,0|1,0,1]=3 196 B6R0.4 CNCCN(C)C 20029 [0,1,0,0,0,0|3,0,0]=4 197 B6R0.4 CNCCN(C)C 24589 [0,1,0,0,0,0|3,0,0]=4 198 B6R0.4 COCCC(=N)N W16180 [0,1,0,0,0,0|2,0,1]=4 199 B6R0.4 COCCC(=O)O F14687 [0,1,0,0,0,0|1,0,1]=3 200 B6R0.4 COCCN(C)C A11162 [0,1,0,0,0,0|3,0,0]=4 201 B6R0.4 CSCCC(=O)O D87669 [0,1,0,0,0,0|1,0,1]=3 202 B6R0.4 CSCCC(C)=O D91573 [0,1,0,0,0,0|1,0,2]=4 203 B6R0.4 C[C@H](Br)CCCBr F14613 [0,1,0,0,0,0|1,0,0]=2 204 B6R0.4 C[C@H](O)CCCO 22874 [0,1,0,0,0,0|0,0,0]=1 205 B6R0.4 C\C=C\CC(=O)O D92067 [0,1,0,0,0,0|0,0,3]=4 206 B6R0.4 N#CCCC(=O)O 81998 [0,1,0,0,0,0|1,0,2]=4 207 B6R0.4 NC(=O)NCCO C10765 [0,1,0,0,0,0|2,0,1]=4 208 B6R0.4 NCCCC(=O)O D70585 [0,1,0,0,0,0|1,0,1]=3 209 B6R0.4 O=C(Cl)CCCBr P19996 [0,1,0,0,0,0|1,0,2]=4 210 B6R0.4 O=C(O)CCCBr 20498 [0,1,0,0,0,0|1,0,1]=3 211 B6R0.4 O=C(O)CCCCl F19286 [0,1,0,0,0,0|1,0,1]=3 212 B6R0.4 O=C(O)CCCS F20547 [0,1,0,0,0,0|1,0,1]=3 213 B6R0.6 BrCCCCCBr D70772 [0,1,0,0,0,0|1,0,0]=2 214 B6R0.6 BrCCOCCBr 12226 [0,1,0,0,0,0|2,0,0]=3 215 B6R0.6 C#CCCCC#C D90884 [0,1,0,0,0,0|1,0,2]=4 216 B6R0.6 C#CCCCCO F10490 [0,1,0,0,0,0|0,0,1]=2 217 B6R0.6 C#CCOCCN C70245 [0,1,0,0,0,0|1,0,2]=4 218 B6R0.6 C#CCOCCO F16468 [0,1,0,0,0,0|0,0,2]=3 219 B6R0.6 C=CCCCCBr F14895 [0,1,0,0,0,0|1,0,1]=3 220 B6R0.6 C=CCCCCCl N11935 [0,1,0,0,0,0|1,0,1]=3 221 B6R0.6 C=CCCCCO 35574 [0,1,0,0,0,0|0,0,1]=2 222 B6R0.6 C=COCCCN 75654 [0,1,0,0,0,0|1,0,2]=4 223 B6R0.6 CCC#CCCO F11743 [0,1,0,0,0,0|0,0,1]=2 224 B6R0.6 CCCC#CCO D90881 [0,1,0,0,0,0|0,0,1]=2 225 B6R0.6 CCCC=CC=O D78252 [0,1,0,0,0,0|0,0,3]=4 226 B6R0.6 CCCCCCI F20355 [0,1,0,0,0,0|1,0,0]=2 227 B6R0.6 CCCCCCN F19564 [0,1,0,0,0,0|1,0,0]=2 228 B6R0.6 CCCCCNC D91584 [0,1,0,0,0,0|1,0,0]=2 229 B6R0.6 CCCCN=C=S D91107 [0,1,0,0,0,0|0,1,1]=3 230 B6R0.6 CCCNCCC D89745 [0,1,0,0,0,0|1,0,0]=2 231 B6R0.6 CCCNCCO C10761 [0,1,0,0,0,0|0,0,0]=1 232 B6R0.6 CCCOCCCl H10822 [0,1,0,0,0,0|1,0,0]=2 233 B6R0.6 CCC\C=C\CO D78301 [0,1,0,0,0,0|0,0,1]=2 234 B6R0.6 CCNCCCN D82016 [0,1,0,0,0,0|1,0,0]=2 235 B6R0.6 CCNCCCO 31655 [0,1,0,0,0,0|0,0,0]=1 236 B6R0.6 CCNCCOC H11999 [0,1,0,0,0,0|1,0,0]=2 237 B6R0.6 CCOCCCCl D95770 [0,1,0,0,0,0|1,0,0]=2 238 B6R0.6 CCOCCCO D95933 [0,1,0,0,0,0|0,0,0]=1 239 B6R0.6 CC\C=C/CCO 73722 [0,1,0,0,0,0|0,0,1]=2 240 B6R0.6 CNCCCCO F10210 [0,1,0,0,0,0|0,0,0]=1 241 B6R0.6 COCCCCBr F13727 [0,1,0,0,0,0|1,0,0]=2 242 B6R0.6 COCCCCCl 28715 [0,1,0,0,0,0|1,0,0]=2 243 B6R0.6 COCCCCO D78159 [0,1,0,0,0,0|0,0,0]=1 244 B6R0.6 COCCN=[N+]=[N-] AC8733 [0,1,0,0,0,0|3,0,0]=4 245 B6R0.6 COCCOCCl H11303 [0,1,0,0,0,0|2,0,0]=3 246 B6R0.6 COCOCOC 75328 [0,1,0,0,0,0|2,0,0]=3 247 B6R0.6 C[NH2+]CCC[NH2+]C D90229 [0,1,0,0,0,0|2,0,0]=3 248 B6R0.6 C\C=C\C=C\CO D77844 [0,1,0,0,0,0|0,0,3]=4 249 B6R0.6 ClCCCCCBr S10881 [0,1,0,0,0,0|1,0,0]=2 250 B6R0.6 ClCCCCCI A10955 [0,1,0,0,0,0|1,0,0]=2 251 B6R0.6 ClCCNCCCl 97536 [0,1,0,0,0,0|2,0,0]=3 252 B6R0.6 FCCCCCBr 24471 [0,1,0,0,0,0|1,0,0]=2 253 B6R0.6 ICCCCCI P10001 [0,1,0,0,0,0|1,0,0]=2 254 B6R0.6 ICCOCCI C90294 [0,1,0,0,0,0|2,0,0]=3 255 B6R0.6 N#CCCCC#N D95363 [0,1,0,0,0,0|1,0,2]=4 256 B6R0.6 N#CCCCCCl 28437 [0,1,0,0,0,0|1,0,1]=3 257 B6R0.6 N#CCCCCN S10714 [0,1,0,0,0,0|1,0,1]=3 258 B6R0.6 N#CCOCCCl 72645 [0,1,0,0,0,0|2,0,1]=4 259 B6R0.6 NCCCCCN D83408 [0,1,0,0,0,0|1,0,0]=2 260 B6R0.6 NCCCCCO I11482 [0,1,0,0,0,0|0,0,0]=1 261 B6R0.6 NCCNCCO D77720 [0,1,0,0,0,0|1,0,0]=2 262 B6R0.6 NCCOCCN 75244 [0,1,0,0,0,0|2,0,0]=3 263 B6R0.6 NCCOCCN 75301 [0,1,0,0,0,0|2,0,0]=3 264 B6R0.6 NCCOCCO C70233 [0,1,0,0,0,0|1,0,0]=2 265 B6R0.6 NCCSCCN FD10524 [0,1,0,0,0,0|2,0,0]=3 266 B6R0.6 O=C=NCCCCl D89529 [0,1,0,0,0,0|1,0,2]=4 267 B6R0.6 O=CCCCCCl C10094 [0,1,0,0,0,0|0,0,2]=3 268 B6R0.6 O=CCCCCO F19841 [0,1,0,0,0,0|0,0,1]=2 269 B6R0.6 OCCCCCBr 23140 [0,1,0,0,0,0|0,0,0]=1 270 B6R0.6 OCCCCCCl O11412 [0,1,0,0,0,0|0,0,0]=1 271 B6R0.6 OCCNCCCl F50591 [0,1,0,0,0,0|1,0,0]=2 272 B6R0.6 OCCNCCO D92250 [0,1,0,0,0,0|1,0,0]=2 273 B6R0.6 OCCOCCBr S10705 [0,1,0,0,0,0|1,0,0]=2 274 B6R0.6 OCCOCCCl D72518 [0,1,0,0,0,0|1,0,0]=2 275 B6R0.6 SCCCCCS D92137 [0,1,0,0,0,0|0,1,0]=2 276 B6R0.6 SCCSCCS D91485 [0,1,0,0,0,0|1,1,0]=3 277 B6R1.1 C1=CCNCC1 37471 [0,0,0,1,0,0|1,0,2]=4 278 B6R1.1 C1=CCNCC1 AB7774 [0,0,0,1,0,0|1,0,2]=4 279 B6R1.1 C1=CCOCC1 37905 [0,0,0,1,0,0|0,0,2]=3 280 B6R1.1 C1=COCCC1 D78128 [0,0,0,1,0,0|0,0,2]=3 281 B6R1.1 C1CCNCC1 D77674 [0,0,0,1,0,0|1,0,0]=2 282 B6R1.1 C1CCNNC1 AB2862 [0,0,0,1,0,0|2,0,0]=3 283 B6R1.1 C1CCONC1 72394 [0,0,0,1,0,0|1,0,0]=2 284 B6R1.1 C1CCSCC1 D78391 [0,0,0,1,0,0|0,1,0]=2 285 B6R1.1 C1CNCCN1 D97840 [0,0,0,1,0,0|2,0,0]=3 286 B6R1.1 C1COCCN1 D70343 [0,0,0,1,0,0|1,0,0]=2 287 B6R1.1 C1COCCN1 D95446 [0,0,0,1,0,0|1,0,0]=2 288 B6R1.1 C1COCCN1 F14226 [0,0,0,1,0,0|1,0,0]=2 289 B6R1.1 C1CSCCN1 P10015 [0,0,0,1,0,0|1,1,0]=3 290 B6R1.1 C1CSCCO1 D87969 [0,0,0,1,0,0|1,0,0]=2 291 B6R1.1 C1CSCSC1 S10678 [0,0,0,1,0,0|1,1,0]=3 292 B6R1.1 C1SCSCS1 D92358 [0,0,0,1,0,0|2,1,0]=4 293 B6R1.2 Br[C@H]1CCNC1 23535 [0,0,0,1,0,0|2,0,0]=3 294 B6R1.2 Br[C@H]1CCOC1 25079 [0,0,0,1,0,0|2,0,0]=3 295 B6R1.2 CC1=NCCC1 35340 [0,0,0,1,0,0|1,0,1]=3 296 B6R1.2 CC1=NCCN1 S11926 [0,0,0,1,0,0|2,0,1]=4 297 B6R1.2 CC1=NCCO1 F16112 [0,0,0,1,0,0|1,0,1]=3 298 B6R1.2 CC1=NCCS1 D91305 [0,0,0,1,0,0|1,1,1]=4 299 B6R1.2 CN1CCCC1 D78045 [0,0,0,1,0,0|2,0,0]=3 300 B6R1.2 C[C@H]1CCCN1 11755 [0,0,0,1,0,0|1,0,0]=2 301 B6R1.2 C[C@H]1CCCN1 23331 [0,0,0,1,0,0|1,0,0]=2 302 B6R1.2 C[C@H]1CCCN1 64834 [0,0,0,1,0,0|1,0,0]=2 303 B6R1.2 C[C@H]1CCCN1 64835 [0,0,0,1,0,0|1,0,0]=2 304 B6R1.2 C[C@H]1CCCN1 64836 [0,0,0,1,0,0|1,0,0]=2 305 B6R1.2 C[C@H]1CCCS1 TD8134 [0,0,0,1,0,0|0,1,0]=2 306 B6R1.2 C[C@H]1CCNC1 69325 [0,0,0,1,0,0|2,0,0]=3 307 B6R1.2 C[C@H]1CCNC1 69329 [0,0,0,1,0,0|2,0,0]=3 308 B6R1.2 C[C@H]1CCOC1 F16704 [0,0,0,1,0,0|2,0,0]=3 309 B6R1.2 C[S+]1CCCC1 AC8164 [0,0,0,1,0,0|2,0,0]=3 310 B6R1.2 ClP1OCCO1 D89371 [0,0,0,1,0,0|3,0,0]=4 311 B6R1.2 F[C@H]1CCNC1 26948 [0,0,0,1,0,0|2,0,0]=3 312 B6R1.2 F[C@H]1CCNC1 37160 [0,0,0,1,0,0|2,0,0]=3 313 B6R1.2 F[C@H]1CCNC1 83419 [0,0,0,1,0,0|2,0,0]=3 314 B6R1.2 IC1CCCC1 P10039 [0,0,0,1,0,0|1,0,0]=2 315 B6R1.2 I[C@H]1CCOC1 82009 [0,0,0,1,0,0|2,0,0]=3 316 B6R1.2 N=C1CCCS1 H10471 [0,0,0,1,0,0|1,1,1]=4 317 B6R1.2 NC1=NCCC1 23751 [0,0,0,1,0,0|2,0,1]=4 318 B6R1.2 NC1CC=CC1 66023 [0,0,0,1,0,0|1,0,2]=4 319 B6R1.2 NC1CCCC1 22312 [0,0,0,1,0,0|1,0,0]=2 320 B6R1.2 N[C@H]1CCNC1 41400 [0,0,0,1,0,0|2,0,0]=3 321 B6R1.2 N[C@H]1CCNC1 52206 [0,0,0,1,0,0|2,0,0]=3 322 B6R1.2 N[C@H]1CCNC1 70366 [0,0,0,1,0,0|2,0,0]=3 323 B6R1.2 N[C@H]1CCNC1 N12040 [0,0,0,1,0,0|2,0,0]=3 324 B6R1.2 N[C@H]1CCNC1 S10941 [0,0,0,1,0,0|2,0,0]=3 325 B6R1.2 N[C@H]1CCNC1 T70189 [0,0,0,1,0,0|2,0,0]=3 326 B6R1.2 N[C@H]1CCOC1 24756 [0,0,0,1,0,0|2,0,0]=3 327 B6R1.2 N[C@H]1CCOC1 29281 [0,0,0,1,0,0|2,0,0]=3 328 B6R1.2 N[C@H]1CCOC1 37020 [0,0,0,1,0,0|2,0,0]=3 329 B6R1.2 N[C@H]1CCOC1 37021 [0,0,0,1,0,0|2,0,0]=3 330 B6R1.2 N[C@H]1CCOC1 53315 [0,0,0,1,0,0|2,0,0]=3 331 B6R1.2 N[C@H]1CCOC1 SC1299 [0,0,0,1,0,0|2,0,0]=3 332 B6R1.2 O=C1CCCN1 D95709 [0,0,0,1,0,0|1,0,2]=4 333 B6R1.2 O=C1CCCN1 D96808 [0,0,0,1,0,0|1,0,2]=4 334 B6R1.2 O=C1CCNC1 65410 [0,0,0,1,0,0|1,0,2]=4 335 B6R1.2 O=C1CCOC1 28102 [0,0,0,1,0,0|1,0,2]=4 336 B6R1.2 O=C1CCSC1 37995 [0,0,0,1,0,0|1,0,2]=4 337 B6R1.2 O=C1NCCO1 C93484 [0,0,0,1,0,0|2,0,1]=4 338 B6R1.2 O=C1OCCO1 D72525 [0,0,0,1,0,0|2,0,1]=4 339 B6R1.2 O=S1CCCC1 D92307 [0,0,0,1,0,0|1,0,1]=3 340 B6R1.2 O=S1OCCO1 AC7916 [0,0,0,1,0,0|3,0,0]=4 341 B6R1.2 OC1=NNCC1 I10060 [0,0,0,1,0,0|2,0,1]=4 342 B6R1.2 OC1CC=CC1 68362 [0,0,0,1,0,0|0,0,2]=3 343 B6R1.2 O[C@@H]1CCCO1 31275 [0,0,0,1,0,0|1,0,0]=2 344 B6R1.2 O[C@H]1CCNC1 29173 [0,0,0,1,0,0|1,0,0]=2 345 B6R1.2 O[C@H]1CCNC1 29174 [0,0,0,1,0,0|1,0,0]=2 346 B6R1.2 O[C@H]1CCNC1 29175 [0,0,0,1,0,0|1,0,0]=2 347 B6R1.2 O[C@H]1CCNC1 38203 [0,0,0,1,0,0|1,0,0]=2 348 B6R1.2 O[C@H]1CCNC1 62968 [0,0,0,1,0,0|1,0,0]=2 349 B6R1.2 O[C@H]1CCNC1 62970 [0,0,0,1,0,0|1,0,0]=2 350 B6R1.2 O[C@H]1CCOC1 37369 [0,0,0,1,0,0|1,0,0]=2 351 B6R1.2 O[C@H]1CCOC1 66692 [0,0,0,1,0,0|1,0,0]=2 352 B6R1.2 O[C@H]1CCOC1 66694 [0,0,0,1,0,0|1,0,0]=2 353 B6R1.2 O[C@H]1CCSC1 W10543 [0,0,0,1,0,0|1,0,0]=2 354 B6R1.2 O[C@H]1CNOC1 31853 [0,0,0,1,0,0|2,0,0]=3 355 B6R1.2 S=C1CCCN1 D95546 [0,0,0,1,0,0|1,1,1]=4 356 B6R1.2 S=C1NCCO1 79469 [0,0,0,1,0,0|2,0,1]=4 357 B6R1.2 SC1CCCC1 D89300 [0,0,0,1,0,0|0,1,0]=2 358 B6R1.3 BrCC[C@H]1CO1 30763 [0,0,0,1,0,0|1,0,0]=2 359 B6R1.3 CCNC1CC1 AC2514 [0,0,0,1,0,0|2,0,0]=3 360 B6R1.3 CCNC1CC1 F20037 [0,0,0,1,0,0|2,0,0]=3 361 B6R1.3 CNCC1CC1 71893 [0,0,0,1,0,0|2,0,0]=3 362 B6R1.3 COC[C@H]1CO1 D90741 [0,0,0,1,0,0|1,0,0]=2 363 B6R1.3 COC[C@H]1CO1 D90742 [0,0,0,1,0,0|1,0,0]=2 364 B6R1.3 COC[C@H]1CO1 F11173 [0,0,0,1,0,0|1,0,0]=2 365 B6R1.3 N#CCC1CC1 35740 [0,0,0,1,0,0|1,0,1]=3 366 B6R1.3 NCCC1CC1 38310 [0,0,0,1,0,0|1,0,0]=2 367 B6R1.3 NCCC1CC1 AB6939 [0,0,0,1,0,0|1,0,0]=2 368 B6R1.3 NNCC1CC1 BL010401 [0,0,0,1,0,0|2,0,0]=3 369 B6R1.3 O=CNC1CC1 W10329 [0,0,0,1,0,0|1,0,2]=4 370 B6R1.3 OCCC1CC1 35626 [0,0,0,1,0,0|0,0,0]=1 371 B6R1.3 OCCN1CC1 52820 [0,0,0,1,0,0|1,0,0]=2 372 B6R1.6 BrCC1CCC1 55311 [0,0,0,1,0,0|1,0,0]=2 373 B6R1.6 BrCC1COC1 P12750 [0,0,0,1,0,0|2,0,0]=3 374 B6R1.6 CNC1CNC1 37853 [0,0,0,1,0,0|3,0,0]=4 375 B6R1.6 CNC1COC1 32882 [0,0,0,1,0,0|3,0,0]=4 376 B6R1.6 COC1CNC1 34638 [0,0,0,1,0,0|3,0,0]=4 377 B6R1.6 COC1CNC1 63504 [0,0,0,1,0,0|3,0,0]=4 378 B6R1.6 ClCC1COC1 29833 [0,0,0,1,0,0|2,0,0]=3 379 B6R1.6 ICC1CCC1 P15852 [0,0,0,1,0,0|1,0,0]=2 380 B6R1.6 ICC1COC1 80847 [0,0,0,1,0,0|2,0,0]=3 381 B6R1.6 IC[C@H]1CCO1 30641 [0,0,0,1,0,0|1,0,0]=2 382 B6R1.6 N#CC1CCC1 82484 [0,0,0,1,0,0|1,0,1]=3 383 B6R1.6 N#CC1CNC1 52028 [0,0,0,1,0,0|2,0,1]=4 384 B6R1.6 NCC1CCC1 33345 [0,0,0,1,0,0|1,0,0]=2 385 B6R1.6 NCC1CCC1 35685 [0,0,0,1,0,0|1,0,0]=2 386 B6R1.6 NCC1COC1 66389 [0,0,0,1,0,0|2,0,0]=3 387 B6R1.6 NCC1COC1 F14274 [0,0,0,1,0,0|2,0,0]=3 388 B6R1.6 NC[C@H]1CCO1 32892 [0,0,0,1,0,0|1,0,0]=2 389 B6R1.6 O=CC1CCC1 83143 [0,0,0,1,0,0|0,0,2]=3 390 B6R1.6 OCC1CCC1 24520 [0,0,0,1,0,0|0,0,0]=1 391 B6R1.6 OCC1CNC1 SC3671 [0,0,0,1,0,0|1,0,0]=2 392 B6R1.6 OCC1COC1 81312 [0,0,0,1,0,0|1,0,0]=2 393 B3R0.1 C=CCC F17161 [2,0,0,0,0,0|0,0,2]=4 394 B3R0.1 CCCN D74104 [2,0,0,0,0,0|1,0,0]=3 395 B3R0.1 CCCN D80322 [2,0,0,0,0,0|1,0,0]=3 396 B3R0.1 CCNC 28743 [2,0,0,0,0,0|1,0,0]=3 397 B3R0.1 CCNC D78313 [2,0,0,0,0,0|1,0,0]=3 398 B3R0.1 CCNN D93746 [2,0,0,0,0,0|2,0,0]=4 399 B3R0.1 CCNO 77594 [2,0,0,0,0,0|1,0,0]=3 400 B3R0.1 CCON 35725 [2,0,0,0,0,0|2,0,0]=4 401 B3R0.1 CCSC D90442 [2,0,0,0,0,0|1,0,0]=3 402 B3R0.1 CNNC F14608 [2,0,0,0,0,0|2,0,0]=4 403 B3R0.1 CNOC 60204 [2,0,0,0,0,0|2,0,0]=4 404 B3R0.1 COCBr D78328 [2,0,0,0,0,0|2,0,0]=4 405 B3R0.1 CSCCl F20413 [2,0,0,0,0,0|2,0,0]=4 406 B3R0.1 C\C=N\O F13401 [2,0,0,0,0,0|1,0,1]=4 407 B3R0.1 ClCCBr D95298 [2,0,0,0,0,0|2,0,0]=4 408 B3R0.1 FCCI 29129 [2,0,0,0,0,0|2,0,0]=4 409 B3R0.1 ICCI D70963 [2,0,0,0,0,0|2,0,0]=4 410 B3R0.1 NCCBr 12331 [2,0,0,0,0,0|2,0,0]=4 411 B3R0.1 NCCCl D70641 [2,0,0,0,0,0|2,0,0]=4 412 B3R0.1 NCCF 22877 [2,0,0,0,0,0|2,0,0]=4 413 B3R0.1 NCCN T72638 [2,0,0,0,0,0|2,0,0]=4 414 B3R0.1 NCCO F17546 [2,0,0,0,0,0|1,0,0]=3 415 B3R0.1 NCCO P20022 [2,0,0,0,0,0|1,0,0]=3 416 B3R0.1 NCCS D70222 [2,0,0,0,0,0|1,1,0]=4 417 B3R0.1 NCCS D88299 [2,0,0,0,0,0|1,1,0]=4 418 B3R0.1 SCCS D78347 [2,0,0,0,0,0|1,1,0]=4 419 B5R0.1 C=C(C)CCBr 80247 [1,1,0,0,0,0|1,0,1]=4 420 B5R0.1 C=C(C)OCC 78535 [1,1,0,0,0,0|1,0,1]=4 421 B5R0.1 C=CC[C@H](C)O D92157 [1,1,0,0,0,0|0,0,2]=4 422 B5R0.1 CC(=O)CCCl F20480 [1,1,0,0,0,0|1,0,1]=4 423 B5R0.1 CC(=O)CCO 55787 [1,1,0,0,0,0|0,0,1]=3 424 B5R0.1 CC(=O)NCO FD10622 [1,1,0,0,0,0|1,0,1]=4 425 B5R0.1 CC(C)=CCO F20316 [1,1,0,0,0,0|0,0,2]=4 426 B5R0.1 CC(C)CC#N 30285 [1,1,0,0,0,0|1,0,1]=4 427 B5R0.1 CC(C)CNN 86152 [1,1,0,0,0,0|2,0,0]=4 428 B5R0.1 CC(C)CON H10571 [1,1,0,0,0,0|2,0,0]=4 429 B5R0.1 CC=C[C@H](C)O D84201 [1,1,0,0,0,0|0,0,2]=4 430 B5R0.1 CCCB(O)O 33060 [1,1,0,0,0,0|1,0,0]=3 431 B5R0.1 CCCC(=N)N W10324 [1,1,0,0,0,0|1,0,1]=4 432 B5R0.1 CCCC(=O)[O-] D84277 [1,1,0,0,0,0|0,0,2]=4 433 B5R0.1 CCCC(N)=O D70204 [1,1,0,0,0,0|0,0,2]=4 434 B5R0.1 CCC[C@H](C)N 28967 [1,1,0,0,0,0|0,0,0]=2 435 B5R0.1 CCC[C@H](C)O RB3003 [1,1,0,0,0,0|0,0,0]=2 436 B5R0.1 CCC[C@H](C)O T72186 [1,1,0,0,0,0|0,0,0]=2 437 B5R0.1 CCC[N+](=O)[O-] D97683 [1,1,0,0,0,0|1,0,1]=4 438 B5R0.1 CCNC(C)=O AC2513 [1,1,0,0,0,0|1,0,1]=4 439 B5R0.1 CCNC(C)C D77967 [1,1,0,0,0,0|1,0,0]=3 440 B5R0.1 CCOC(C)=N D70134 [1,1,0,0,0,0|1,0,1]=4 441 B5R0.1 CCO[SiH](C)C I11477 [1,1,0,0,0,0|1,1,0]=4 442 B5R0.1 CCSC(C)=O H11301 [1,1,0,0,0,0|1,0,1]=4 443 B5R0.1 CN(C)CCBr O10701 [1,1,0,0,0,0|2,0,0]=4 444 B5R0.1 CN(C)CCCl D77997 [1,1,0,0,0,0|2,0,0]=4 445 B5R0.1 CN(C)CCN S12293 [1,1,0,0,0,0|2,0,0]=4 446 B5R0.1 CN(C)CCS 35911 [1,1,0,0,0,0|1,1,0]=4 447 B5R0.1 CNCC(=O)O 73735 [1,1,0,0,0,0|1,0,1]=4 448 B5R0.1 CNCC(=O)O AC7804 [1,1,0,0,0,0|1,0,1]=4 449 B5R0.1 COCC(=O)O D77874 [1,1,0,0,0,0|1,0,1]=4 450 B5R0.1 COCC(C)=O D91400 [1,1,0,0,0,0|1,0,1]=4 451 B5R0.1 COC[C@H](C)O 35103 [1,1,0,0,0,0|1,0,0]=3 452 B5R0.1 COC[C@H](C)O O10158 [1,1,0,0,0,0|1,0,0]=3 453 B5R0.1 CSCC(=O)O F15988 [1,1,0,0,0,0|1,0,1]=4 454 B5R0.1 CSC[S@](C)=O 63104 [1,1,0,0,0,0|2,0,0]=4 455 B5R0.1 C[C@H](Br)CC#N D88813 [1,1,0,0,0,0|1,0,1]=4 456 B5R0.1 C[C@H](Cl)CCCl D89632 [1,1,0,0,0,0|1,0,0]=3 457 B5R0.1 C[C@H](N)CC#N N12426 [1,1,0,0,0,0|1,0,1]=4 458 B5R0.1 C[C@H](N)CCO 36141 [1,1,0,0,0,0|0,0,0]=2 459 B5R0.1 C[C@H](N)CCO 36142 [1,1,0,0,0,0|0,0,0]=2 460 B5R0.1 C[C@H](N)CCO F11725 [1,1,0,0,0,0|0,0,0]=2 461 B5R0.1 C[C@H](O)CCO 55765 [1,1,0,0,0,0|0,0,0]=2 462 B5R0.1 C[C@H](O)CCO O10183 [1,1,0,0,0,0|0,0,0]=2 463 B5R0.1 C[C@H](O)CNN 71999 [1,1,0,0,0,0|2,0,0]=4 464 B5R0.1 C[NH2+]CC(C)C D91375 [1,1,0,0,0,0|1,0,0]=3 465 B5R0.1 O=C(O)CCBr P17146 [1,1,0,0,0,0|1,0,1]=4 466 B5R0.1 O=C(O)CCF 71324 [1,1,0,0,0,0|1,0,1]=4 467 B5R0.1 O=C(O)CCI D91073 [1,1,0,0,0,0|1,0,1]=4 468 B5R0.1 O=C(O)CCO 77998 [1,1,0,0,0,0|1,0,1]=4 469 B5R0.1 O=C(O)CCS AT21041 [1,1,0,0,0,0|1,0,1]=4 470 B5R0.1 O=[N+]([O-])CCO AC1643 [1,1,0,0,0,0|2,0,0]=4 471 B5R0.3 C#C[C@@H](O)CC 75224 [1,1,0,0,0,0|0,0,2]=4 472 B5R0.3 C=C(CO)CO 35347 [1,1,0,0,0,0|1,0,1]=4 473 B5R0.3 C=C[C@@H](O)CC F15421 [1,1,0,0,0,0|0,0,2]=4 474 B5R0.3 C=C[C@@H](O)CO D79949 [1,1,0,0,0,0|0,0,2]=4 475 B5R0.3 CC(CBr)CBr 90917 [1,1,0,0,0,0|2,0,0]=4 476 B5R0.3 CC(CN)CN T72131 [1,1,0,0,0,0|2,0,0]=4 477 B5R0.3 CC(CO)CO D71170 [1,1,0,0,0,0|1,0,0]=3 478 B5R0.3 CCC(=N)NO 22901 [1,1,0,0,0,0|1,0,1]=4 479 B5R0.3 CCC(=O)CBr F10475 [1,1,0,0,0,0|1,0,1]=4 480 B5R0.3 CCC(=O)CO C75383 [1,1,0,0,0,0|0,0,1]=3 481 B5R0.3 CCC(=O)NC D91338 [1,1,0,0,0,0|1,0,1]=4 482 B5R0.3 CCC(Br)CC H11324 [1,1,0,0,0,0|0,0,0]=2 483 B5R0.3 CCC(N)CC S12161 [1,1,0,0,0,0|0,0,0]=2 484 B5R0.3 CCN(C)CC D97580 [1,1,0,0,0,0|1,0,0]=3 485 B5R0.3 CCS(=O)CC D81870 [1,1,0,0,0,0|1,0,0]=3 486 B5R0.3 CC[C@H](Br)CBr D89608 [1,1,0,0,0,0|1,0,0]=3 487 B5R0.3 CC[C@H](C)CBr A10884 [1,1,0,0,0,0|1,0,0]=3 488 B5R0.3 CC[C@H](C)CCl D89411 [1,1,0,0,0,0|1,0,0]=3 489 B5R0.3 CC[C@H](C)CI D80608 [1,1,0,0,0,0|1,0,0]=3 490 B5R0.3 CC[C@H](C)CN F16114 [1,1,0,0,0,0|1,0,0]=3 491 B5R0.3 CC[C@H](C)CO 88664 [1,1,0,0,0,0|0,0,0]=2 492 B5R0.3 CC[C@H](C)CS D91431 [1,1,0,0,0,0|0,1,0]=3 493 B5R0.3 CC[C@H](C)NC D95752 [1,1,0,0,0,0|1,0,0]=3 494 B5R0.3 CC[C@H](C)NN 72197 [1,1,0,0,0,0|2,0,0]=4 495 B5R0.3 CC[C@H](N)CO 23160 [1,1,0,0,0,0|0,0,0]=2 496 B5R0.3 CC[C@H](N)CO D87517 [1,1,0,0,0,0|0,0,0]=2 497 B5R0.3 CC[C@H](N)CO F14569 [1,1,0,0,0,0|0,0,0]=2 498 B5R0.3 CC[C@H](O)CN D97409 [1,1,0,0,0,0|1,0,0]=3 499 B5R0.3 CC[C@H](O)CO C10640 [1,1,0,0,0,0|0,0,0]=2 500 B5R0.3 CC[C@H](O)CO O10222 [1,1,0,0,0,0|0,0,0]=2 501 B5R0.3 COC(=O)CO 39413 [1,1,0,0,0,0|1,0,1]=4 502 B5R0.3 CO[C@@H](C)CN 91004 [1,1,0,0,0,0|2,0,0]=4 503 B5R0.3 CO[C@@H](C)CO 29137 [1,1,0,0,0,0|1,0,0]=3 504 B5R0.3 CO[C@@H](C)CO 35966 [1,1,0,0,0,0|1,0,0]=3 505 B5R0.3 C[C@@H](CN)CO 78445 [1,1,0,0,0,0|1,0,0]=3 506 B5R0.3 C[C@@H](CN)CO AB10326 [1,1,0,0,0,0|1,0,0]=3 507 B5R0.3 ClCC(Cl)CCl D97722 [1,1,0,0,0,0|2,0,0]=4 508 B5R0.3 NC(CO)CO F10927 [1,1,0,0,0,0|1,0,0]=3 509 B5R0.3 NCC(O)CN O10345 [1,1,0,0,0,0|2,0,0]=4 510 B5R0.3 NC[C@H](O)CCl 91258 [1,1,0,0,0,0|2,0,0]=4 511 B5R0.3 NC[C@H](O)CCl F14970 [1,1,0,0,0,0|2,0,0]=4 512 B5R0.3 NC[C@H](O)CO 52095 [1,1,0,0,0,0|1,0,0]=3 513 B5R0.3 NC[C@H](O)CO CL4509 [1,1,0,0,0,0|1,0,0]=3 514 B5R0.3 NC[C@H](O)CO H10491 [1,1,0,0,0,0|1,0,0]=3 515 B5R0.3 O=C(CO)CO S12381 [1,1,0,0,0,0|1,0,1]=4 516 B5R0.3 OC(CBr)CBr 90914 [1,1,0,0,0,0|2,0,0]=4 517 B5R0.3 OCC(O)CO C13300 [1,1,0,0,0,0|1,0,0]=3 518 B5R0.3 OCC(O)CO D92249 [1,1,0,0,0,0|1,0,0]=3 519 B5R0.3 OC[C@H](Cl)CCl D89647 [1,1,0,0,0,0|1,0,0]=3 520 B5R0.3 OC[C@H](O)CBr D84178 [1,1,0,0,0,0|1,0,0]=3 521 B5R0.3 OC[C@H](O)CCl 28070 [1,1,0,0,0,0|1,0,0]=3 522 B5R0.3 OC[C@H](O)CCl 28077 [1,1,0,0,0,0|1,0,0]=3 523 B5R0.3 OC[C@H](O)CS D92320 [1,1,0,0,0,0|1,0,0]=3 524 B5R0.3 OC[C@H](S)CS D89691 [1,1,0,0,0,0|1,0,0]=3 525 B5R0.3 O[C@@H](CCl)CI D79037 [1,1,0,0,0,0|2,0,0]=4 526 B5R0.3 O[C@@H](CCl)CI D79038 [1,1,0,0,0,0|2,0,0]=4 527 B7R0.2 CC(C)C[C@H](N)CO 34445 [0,2,0,0,0,0|0,0,0]=2 528 B7R0.2 CC(C)C[C@H](N)CO 39403 [0,2,0,0,0,0|0,0,0]=2 529 B7R0.2 CC(C)C[C@H](N)CO A10467 [0,2,0,0,0,0|0,0,0]=2 530 B7R0.2 CC(C)OC(=O)CO 77517 [0,2,0,0,0,0|1,0,1]=4 531 B7R0.2 CCC(=O)CC(C)C D90471 [0,2,0,0,0,0|1,0,1]=4 532 B7R0.2 CCC(C)CC(C)N 40016 [0,2,0,0,0,0|1,0,0]=3 533 B7R0.2 CCC(C)CC(C)N D88161 [0,2,0,0,0,0|1,0,0]=3 534 B7R0.2 CCN(C)CC(=O)O D97398 [0,2,0,0,0,0|1,0,1]=4 535 B7R0.2 CC[C@H](C)CC(=O)O 63956 [0,2,0,0,0,0|0,0,1]=3 536 B7R0.2 CC[C@H](C)CC(=O)O 63972 [0,2,0,0,0,0|0,0,1]=3 537 B7R0.2 CC[C@H](N)CC(=O)O 52001 [0,2,0,0,0,0|0,0,1]=3 538 B7R0.2 CC[C@H](N)CC(=O)O 52002 [0,2,0,0,0,0|0,0,1]=3 539 B7R0.2 CC[C@H](N)CC(=O)O Y10914 [0,2,0,0,0,0|0,0,1]=3 540 B7R0.2 CC[C@H](N)CC(=O)O Y11199 [0,2,0,0,0,0|0,0,1]=3 541 B7R0.2 CN(C)C[C@H](O)CO O10883 [0,2,0,0,0,0|1,0,0]=3 542 B7R0.2 COC(=O)C[C@H](C)O AC7720 [0,2,0,0,0,0|1,0,1]=4 543 B7R0.2 COC(=O)C[C@H](C)O C14861 [0,2,0,0,0,0|1,0,1]=4 544 B7R0.2 COC(=O)C[C@H](C)O F15447 [0,2,0,0,0,0|1,0,1]=4 545 B7R0.2 C[C@H](CCl)CN(C)C D71215 [0,2,0,0,0,0|2,0,0]=4 546 B7R0.2 NC[C@@H](N)CC(=O)O D82928 [0,2,0,0,0,0|1,0,1]=4 547 B7R0.2 NC[C@@H](O)CC(=O)O 52129 [0,2,0,0,0,0|1,0,1]=4 548 B7R0.2 NC[C@@H](O)CC(=O)O 52130 [0,2,0,0,0,0|1,0,1]=4 549 B7R0.2 NC[C@@H](O)CC(=O)O AB3028 [0,2,0,0,0,0|1,0,1]=4 550 B7R0.2 N[C@H](CO)CC(=O)O 27226 [0,2,0,0,0,0|1,0,1]=4 551 B7R0.3 C#C[C@@H](O)CCCC D90876 [0,2,0,0,0,0|0,0,0]=2 552 B7R0.3 C=CCC[C@H](Br)CBr T70912 [0,2,0,0,0,0|1,0,1]=4 553 B7R0.3 CCCCC(=O)CC D90783 [0,2,0,0,0,0|1,0,0]=3 554 B7R0.3 CCCCC(=O)NN 74164 [0,2,0,0,0,0|0,0,2]=4 555 B7R0.3 CCCC[C@H](Br)CBr D93164 [0,2,0,0,0,0|1,0,0]=3 556 B7R0.3 CCCC[C@H](N)CO A11352 [0,2,0,0,0,0|0,0,0]=2 557 B7R0.3 CCCC[C@H](N)CO N12322 [0,2,0,0,0,0|0,0,0]=2 558 B7R0.3 CCCC[C@H](O)CO F11270 [0,2,0,0,0,0|0,0,0]=2 559 B7R0.3 CCCOC(=O)OC D83836 [0,2,0,0,0,0|1,0,1]=4 560 B7R0.3 CCOC[C@@H](O)CO H11846 [0,2,0,0,0,0|0,0,0]=2 561 B7R0.3 CNCCC(=O)OC 32388 [0,2,0,0,0,0|1,0,1]=4 562 B7R0.3 COC(=O)CCCBr S11981 [0,2,0,0,0,0|1,0,1]=4 563 B7R0.3 COC(=O)CCCCl 28856 [0,2,0,0,0,0|1,0,1]=4 564 B7R0.3 COC(=O)CCCN 64233 [0,2,0,0,0,0|1,0,1]=4 565 B7R0.3 CSCC[C@H](N)CO T72236 [0,2,0,0,0,0|0,0,0]=2 566 B7R0.3 OCCC[C@H](O)CO T71793 [0,2,0,0,0,0|0,0,0]=2 567 B7R0.5 CC(C)[C@@H](N)CCO 29776 [0,2,0,0,0,0|0,0,0]=2 568 B7R0.5 CCCC(=O)C(C)C D91358 [0,2,0,0,0,0|1,0,1]=4 569 B7R0.5 CCC[C@H](C)C(=O)O D78086 [0,2,0,0,0,0|0,0,1]=3 570 B7R0.5 CCC[C@H](N)C(=O)O 27282 [0,2,0,0,0,0|0,0,1]=3 571 B7R0.5 CCC[C@H](N)C(=O)O 73286 [0,2,0,0,0,0|0,0,1]=3 572 B7R0.5 CCC[C@H](N)C(=O)O D70899 [0,2,0,0,0,0|0,0,1]=3 573 B7R0.5 CCOC(=O)[C@H](C)O 35087 [0,2,0,0,0,0|1,0,1]=4 574 B7R0.5 CCO[C@H](O)C(F)F F30106 [0,2,0,0,0,0|2,0,0]=4 575 B7R0.5 COC[C@H](N)C(=O)O 23000 [0,2,0,0,0,0|1,0,1]=4 576 B7R0.5 COC[C@H](N)C(=O)O 23621 [0,2,0,0,0,0|1,0,1]=4 577 B7R0.5 COC[C@H](N)C(=O)O 25149 [0,2,0,0,0,0|1,0,1]=4 578 B7R0.5 COC[C@H](N)C(=O)O 52228 [0,2,0,0,0,0|1,0,1]=4 579 B7R0.5 COC[C@H](N)C(=O)O F10843 [0,2,0,0,0,0|1,0,1]=4 580 B7R0.5 CSC[C@H](N)C(=O)O FD21238 [0,2,0,0,0,0|1,0,1]=4 581 B7R0.5 NCC[C@H](N)C(=O)O 71083 [0,2,0,0,0,0|1,0,1]=4 582 B7R0.5 NCC[C@H](N)C(=O)O FD1067 [0,2,0,0,0,0|1,0,1]=4 583 B7R0.5 NCC[C@H](N)C(=O)O FD1073 [0,2,0,0,0,0|1,0,1]=4 584 B7R0.5 NCC[C@H](O)C(=O)O 28622 [0,2,0,0,0,0|1,0,1]=4 585 B7R0.5 NCC[C@H](O)C(=O)O O11154 [0,2,0,0,0,0|1,0,1]=4 586 B7R0.5 N[C@@H](CCBr)C(=O)O FD1268 [0,2,0,0,0,0|1,0,1]=4 587 B7R0.5 N[C@@H](CCO)C(=O)O 27335 [0,2,0,0,0,0|1,0,1]=4 588 B7R0.5 N[C@@H](CCO)C(=O)O FD1121 [0,2,0,0,0,0|1,0,1]=4 589 B7R0.5 N[C@@H](CCO)C(=O)O FD1124 [0,2,0,0,0,0|1,0,1]=4 590 B7R0.7 C=CCN(C)CCO D83705 [0,2,0,0,0,0|0,0,2]=4 591 B7R0.7 CCCC(=O)OCCl F20378 [0,2,0,0,0,0|1,0,1]=4 592 B7R0.7 CCCC(N)CCC 28065 [0,2,0,0,0,0|1,0,0]=3 593 B7R0.7 CCCC(O)CCC H10221 [0,2,0,0,0,0|1,0,0]=3 594 B7R0.7 CCCN(C)CCC D95729 [0,2,0,0,0,0|1,0,0]=3 595 B7R0.7 CCC[C@H](C)CCO T71716 [0,2,0,0,0,0|0,0,0]=2 596 B7R0.7 CCC[C@H](S)CCO D84193 [0,2,0,0,0,0|0,0,0]=2 597 B7R0.7 CCOC(=O)CCBr F11254 [0,2,0,0,0,0|1,0,1]=4 598 B7R0.7 CCOC(=O)CCCl D89381 [0,2,0,0,0,0|1,0,1]=4 599 B7R0.7 CCOC(=O)CCI 23721 [0,2,0,0,0,0|1,0,1]=4 600 B7R0.7 CCOC(=O)CCN AC7506 [0,2,0,0,0,0|1,0,1]=4 601 B7R0.7 CCOC(=O)CCO 30936 [0,2,0,0,0,0|0,0,1]=3 602 B7R0.7 CCOC(=O)CCS D87716 [0,2,0,0,0,0|0,1,1]=4 603 B7R0.7 CCOC(=O)COC F11239 [0,2,0,0,0,0|1,0,1]=4 604 B7R0.7 CN(CCCl)CCCl F11444 [0,2,0,0,0,0|2,0,0]=4 605 B7R0.7 CN(CCN)CCN E10179 [0,2,0,0,0,0|2,0,0]=4 606 B7R0.7 COCC(N)COC 25069 [0,2,0,0,0,0|1,0,0]=3 607 B7R0.7 COCC(O)COC 20633 [0,2,0,0,0,0|1,0,0]=3 608 B7R0.7 O=C(CCCl)CCCl 35039 [0,2,0,0,0,0|1,0,1]=4 609 B7R0.10 CCC(=O)[C@@H](O)CC D92050 [0,2,0,0,0,0|1,0,1]=4 610 B7R0.10 CCC(S)C(C)CO A10541 [0,2,0,0,0,0|0,0,0]=2 611 B7R0.10 CC[C@@H](C)[C@@H](N)CO AC7563 [0,2,0,0,0,0|0,0,0]=2 612 B7R0.10 CC[C@@H](C)[C@@H](N)CO FD21812 [0,2,0,0,0,0|0,0,0]=2 613 B7R0.10 COC(=O)[C@@H](Br)CO D84458 [0,2,0,0,0,0|1,0,1]=4 614 B7R0.10 COC(=O)[C@@H](C)CO F12962 [0,2,0,0,0,0|1,0,1]=4 615 B7R0.10 COC(=O)[C@@H](C)CO TD8064 [0,2,0,0,0,0|1,0,1]=4 616 B7R0.10 COC(=O)[C@@H](F)CO 36756 [0,2,0,0,0,0|1,0,1]=4 617 B7R0.10 COC(=O)[C@@H](N)CO 20054 [0,2,0,0,0,0|1,0,1]=4 618 B7R0.10 COC(=O)[C@@H](N)CO 20056 [0,2,0,0,0,0|1,0,1]=4 619 B7R0.10 COC(=O)[C@@H](N)CO 39397 [0,2,0,0,0,0|1,0,1]=4 620 B7R0.10 COC(=O)[C@@H](N)CO AB7436 [0,2,0,0,0,0|1,0,1]=4 621 B7R0.10 COC(=O)[C@@H](O)CO 24991 [0,2,0,0,0,0|1,0,1]=4 622 B7R0.10 ClC[C@H](Cl)[C@H](Cl)CCl D95683 [0,2,0,0,0,0|2,0,0]=4 623 B7R0.10 OC[C@H](O)[C@H](O)CO E70403 [0,2,0,0,0,0|1,0,0]=3 624 B7R0.10 O[C@@H](CS)[C@@H](O)CS D70251 [0,2,0,0,0,0|1,1,0]=4 625 B7R0.10 O[C@H](CS)[C@@H](O)CS D89833 [0,2,0,0,0,0|1,1,0]=4 626 B7R0.11 CC(C)(CO)CCO W19543 [0,2,0,0,0,0|1,0,0]=3 627 B7R0.11 CCS(=O)(=O)CCCl 71330 [0,2,0,0,0,0|2,0,0]=4 628 B7R0.12 CCN(CC)CCBr 30292 [0,2,0,0,0,0|2,0,0]=4 629 B7R0.12 CCN(CC)CCS D89920 [0,2,0,0,0,0|1,1,0]=4 630 B7R0.12 COC(CCBr)OC 28799 [0,2,0,0,0,0|2,0,0]=4 631 B7R0.4 C#CCCCC(=O)O F14123 [0,2,0,0,0,0|0,0,2]=4 632 B7R0.4 C#CCOC[C@H](C)O D78242 [0,2,0,0,0,0|0,0,2]=4 633 B7R0.4 C=CCCCB(O)O I12040 [0,2,0,0,0,0|0,0,2]=4 634 B7R0.4 C=CCCCC(=O)O D86337 [0,2,0,0,0,0|0,0,2]=4 635 B7R0.4 CC(=O)CCCC#N D91224 [0,2,0,0,0,0|1,0,1]=4 636 B7R0.4 CC(=O)CCCCCl D89394 [0,2,0,0,0,0|1,0,0]=3 637 B7R0.4 CC(=O)OCCCCl 22019 [0,2,0,0,0,0|1,0,1]=4 638 B7R0.4 CC(=O)SCCCO D86667 [0,2,0,0,0,0|0,0,1]=3 639 B7R0.4 CC(C)CCCCO D94723 [0,2,0,0,0,0|0,0,0]=2 640 B7R0.4 CC(C)NCCCO H11834 [0,2,0,0,0,0|0,0,0]=2 641 B7R0.4 CCCCCB(O)O 33673 [0,2,0,0,0,0|0,0,0]=2 642 B7R0.4 CCCCCC(=O)[O-] D82015 [0,2,0,0,0,0|0,0,1]=3 643 B7R0.4 CCCCCC(N)=O D89187 [0,2,0,0,0,0|0,0,1]=3 644 B7R0.4 CCCCC[C@H](C)N D90921 [0,2,0,0,0,0|1,0,0]=3 645 B7R0.4 CCCCC[C@H](C)O D83253 [0,2,0,0,0,0|0,0,0]=2 646 B7R0.4 CCCCNC(N)=O D88864 [0,2,0,0,0,0|0,0,2]=4 647 B7R0.4 CCCCNC(N)=S T70321 [0,2,0,0,0,0|0,1,1]=4 648 B7R0.4 CCCCOC(=S)[S-] D82014 [0,2,0,0,0,0|0,1,1]=4 649 B7R0.4 CCCCOC(C)C D93400 [0,2,0,0,0,0|1,0,0]=3 650 B7R0.4 CCCCOC(N)=O D89279 [0,2,0,0,0,0|0,0,2]=4 651 B7R0.4 CCCCSC(C)=O 79049 [0,2,0,0,0,0|0,0,2]=4 652 B7R0.4 CCC\C=C\C(=O)O C10700 [0,2,0,0,0,0|0,0,2]=4 653 B7R0.4 CC\C=C\CC(=O)O D82088 [0,2,0,0,0,0|0,0,2]=4 654 B7R0.4 CN(C)CCCC#N AC1843 [0,2,0,0,0,0|1,0,1]=4 655 B7R0.4 CN(C)CCCCN 76925 [0,2,0,0,0,0|1,0,0]=3 656 B7R0.4 CNCCCC(=O)O 20515 [0,2,0,0,0,0|0,0,1]=3 657 B7R0.4 CNCCCC(=O)O AB7427 [0,2,0,0,0,0|0,0,1]=3 658 B7R0.4 CNCCCN(C)C D94649 [0,2,0,0,0,0|2,0,0]=4 659 B7R0.4 C[C@H](O)CNCCN D90833 [0,2,0,0,0,0|1,0,0]=3 660 B7R0.4 C[C@H](O)CNCCO C13406 [0,2,0,0,0,0|0,0,0]=2 661 B7R0.4 N#CCCCC(=O)O RB3314 [0,2,0,0,0,0|0,0,2]=4 662 B7R0.4 NCCCCC(=O)O 76219 [0,2,0,0,0,0|0,0,1]=3 663 B7R0.4 NCCCCC(=O)O D78140 [0,2,0,0,0,0|0,0,1]=3 664 B7R0.4 NCCOCC(=O)O AT23391 [0,2,0,0,0,0|1,0,1]=4 665 B7R0.4 O=C(Cl)CCCCBr H11319 [0,2,0,0,0,0|0,0,2]=4 666 B7R0.4 O=C(Cl)CCCCCl D89459 [0,2,0,0,0,0|0,0,2]=4 667 B7R0.4 O=C(O)CCCCBr 76255 [0,2,0,0,0,0|0,0,1]=3 668 B7R0.4 O=C(O)CCCCCl C10667 [0,2,0,0,0,0|0,0,1]=3 669 B7R0.4 O=C(O)CNCCO AB10154 [0,2,0,0,0,0|1,0,1]=4 670 B7R0.4 O=C(O)COCCCl 29961 [0,2,0,0,0,0|1,0,1]=4 671 B7R0.4 O=C([O-])CCCCO F13839 [0,2,0,0,0,0|0,0,1]=3 672 B7R0.6 C=C(C)CCC(=O)O 80208 [0,2,0,0,0,0|0,0,2]=4 673 B7R0.6 CC(=O)CCC(=O)O D70802 [0,2,0,0,0,0|0,0,2]=4 674 B7R0.6 CC(C)CCB(O)O D70604 [0,2,0,0,0,0|1,0,0]=3 675 B7R0.6 CC(C)CCC(=O)O 28835 [0,2,0,0,0,0|0,0,1]=3 676 B7R0.6 CC(C)CC[C@H](C)O D91520 [0,2,0,0,0,0|0,0,0]=2 677 B7R0.6 CC(O)C#CC(C)O F17144 [0,2,0,0,0,0|0,0,2]=4 678 B7R0.6 CC(O)CCC(C)O F17534 [0,2,0,0,0,0|0,0,0]=2 679 B7R0.6 CN(C)CCC(=O)O 30383 [0,2,0,0,0,0|1,0,1]=4 680 B7R0.6 CN(C)CCC(=O)O 35949 [0,2,0,0,0,0|1,0,1]=4 681 B7R0.6 C[C@H](O)CC[C@H](C)O T71918 [0,2,0,0,0,0|0,0,0]=2 682 B7R0.6 C[S+](C)CCC(=O)O 74954 [0,2,0,0,0,0|1,0,1]=4 683 B7R0.8 CC(C)(C)NCCN W18588 [0,2,0,0,0,0|2,0,0]=4 684 B7R0.8 CC(C)(C)OCCO AT13966 [0,2,0,0,0,0|1,0,0]=3 685 B7R0.8 CCCCC(C)(C)O D91354 [0,2,0,0,0,0|0,0,0]=2 686 B7R0.8 CCCCS(=O)(=O)Cl D88706 [0,2,0,0,0,0|1,0,1]=4 687 B7R0.8 CCCCS(=O)(=O)[O-] F10017 [0,2,0,0,0,0|1,0,1]=4 688 B7R0.8 CCCC[B-](F)(F)F H12032 [0,2,0,0,0,0|2,0,0]=4 689 B7R0.8 CCCC[N+](C)(C)C D89168 [0,2,0,0,0,0|2,0,0]=4 690 B7R0.8 CCCC[N+](C)(C)C D97448 [0,2,0,0,0,0|2,0,0]=4 691 B7R0.8 CCCC[Si](C)(C)Cl D88885 [0,2,0,0,0,0|1,1,0]=4 692 B7R0.8 CCCOC(C)(C)C S11895 [0,2,0,0,0,0|2,0,0]=4 693 B7R0.8 CS(=O)(=O)CCCO 29519 [0,2,0,0,0,0|1,0,0]=3 694 B7R0.8 C[N+](C)(C)CCCBr 35096 [0,2,0,0,0,0|2,0,0]=4 695 B7R0.8 C[Si](C)(Cl)CCCCl I11057 [0,2,0,0,0,0|1,1,0]=4 696 B7R0.8 FC(F)(F)CCCBr D93166 [0,2,0,0,0,0|2,0,0]=4 697 B7R0.8 FC(F)(F)CCCI 29108 [0,2,0,0,0,0|2,0,0]=4 698 B7R0.8 NCCCC(F)(F)F FD2099 [0,2,0,0,0,0|2,0,0]=4 699 B7R0.8 NCCCC(F)(F)F FD2100 [0,2,0,0,0,0|2,0,0]=4 700 B7R0.8 NCCCP(=O)(O)O 24632 [0,2,0,0,0,0|2,0,0]=4 701 B7R0.8 NCCCS(=O)(=O)O 28770 [0,2,0,0,0,0|2,0,0]=4 702 B7R0.8 O=S(=O)(O)CCCBr D88846 [0,2,0,0,0,0|2,0,0]=4 703 B7R0.8 OCCCC(F)(F)F 66887 [0,2,0,0,0,0|1,0,0]=3 704 B7R0.1 BrCCCCCCBr D77996 [0,2,0,0,0,0|1,0,0]=3 705 B7R0.1 C#CCCCCCO 35608 [0,2,0,0,0,0|0,0,0]=2 706 B7R0.1 C#CCOCCOC W13675 [0,2,0,0,0,0|0,0,2]=4 707 B7R0.1 C=CCCCCC=C F19559 [0,2,0,0,0,0|1,0,1]=4 708 B7R0.1 C=CCCCCCBr 34943 [0,2,0,0,0,0|1,0,0]=3 709 B7R0.1 C=CCCCCNC C75624 [0,2,0,0,0,0|1,0,0]=3 710 B7R0.1 C=CCOCCCC D88441 [0,2,0,0,0,0|1,0,0]=3 711 B7R0.1 CCCCCCCBr D78084 [0,2,0,0,0,0|1,0,0]=3 712 B7R0.1 CCCCCCCI D70828 [0,2,0,0,0,0|1,0,0]=3 713 B7R0.1 CCCCCCCS D90781 [0,2,0,0,0,0|0,1,0]=3 714 B7R0.1 CCCCOCCCl D89363 [0,2,0,0,0,0|1,0,0]=3 715 B7R0.1 CCCC\C=C\C=O 39424 [0,2,0,0,0,0|0,0,2]=4 716 B7R0.1 CNCCCCNC 29857 [0,2,0,0,0,0|1,0,0]=3 717 B7R0.1 COCCOCCBr AC1298 [0,2,0,0,0,0|1,0,0]=3 718 B7R0.1 COCCOCCN F19842 [0,2,0,0,0,0|1,0,0]=3 719 B7R0.1 COCCOCCO D78002 [0,2,0,0,0,0|0,0,0]=2 720 B7R0.1 COCOCCC#N 32633 [0,2,0,0,0,0|1,0,1]=4 721 B7R0.1 CSCCCN=C=S D91571 [0,2,0,0,0,0|0,1,1]=4 722 B7R0.1 ClCCCCCCBr AC1307 [0,2,0,0,0,0|1,0,0]=3 723 B7R0.1 ClCCCCCCI O10399 [0,2,0,0,0,0|1,0,0]=3 724 B7R0.1 ICCCCCCI D78160 [0,2,0,0,0,0|1,0,0]=3 725 B7R0.1 N#CCCCCCBr 76351 [0,2,0,0,0,0|1,0,0]=3 726 B7R0.1 N#CCCCCCN D92992 [0,2,0,0,0,0|1,0,0]=3 727 B7R0.1 NCCCCCCN H11757 [0,2,0,0,0,0|1,0,0]=3 728 B7R0.1 NCCCCCCO 74060 [0,2,0,0,0,0|0,0,0]=2 729 B7R0.1 NCCCNCCBr 37146 [0,2,0,0,0,0|1,0,0]=3 730 B7R0.1 NCCCNCCO 37148 [0,2,0,0,0,0|0,0,0]=2 731 B7R0.1 NCCNCCCO H11394 [0,2,0,0,0,0|0,0,0]=2 732 B7R0.1 NCCSSCCN 28637 [0,2,0,0,0,0|2,0,0]=4 733 B7R0.1 NCC[Se][Se]CCN H10234 [0,2,0,0,0,0|2,0,0]=4 734 B7R0.1 OCCCCCCBr 34408 [0,2,0,0,0,0|0,0,0]=2 735 B7R0.1 OCCCCCCCl D70146 [0,2,0,0,0,0|0,0,0]=2 736 B7R0.1 OCCCCCCS N11988 [0,2,0,0,0,0|0,0,0]=2 737 B7R0.1 SCCCCCCS D90840 [0,2,0,0,0,0|0,1,0]=3 738 B5R1.1 C1=CCOC1 F11214 [1,0,0,1,0,0|0,0,2]=4 739 B5R1.1 C1CCNC1 A12343 [1,0,0,1,0,0|1,0,0]=3 740 B5R1.1 C1CCNC1 D95438 [1,0,0,1,0,0|1,0,0]=3 741 B5R1.1 C1CCOC1 D97750 [1,0,0,1,0,0|0,0,0]=2 742 B5R1.1 C1CNOC1 72098 [1,0,0,1,0,0|1,0,0]=3 743 B5R1.1 C1COCO1 D89731 [1,0,0,1,0,0|1,0,0]=3 744 B5R1.1 C1CSCN1 H10192 [1,0,0,1,0,0|1,1,0]=4 745 B5R1.1 C1CSCN1 H11361 [1,0,0,1,0,0|1,1,0]=4 746 B5R1.2 BrC1CCC1 23146 [1,0,0,1,0,0|1,0,0]=3 747 B5R1.2 BrC1CNC1 70950 [1,0,0,1,0,0|2,0,0]=4 748 B5R1.2 BrC1COC1 CS1302 [1,0,0,1,0,0|2,0,0]=4 749 B5R1.2 C=C1CCC1 90960 [1,0,0,1,0,0|0,0,2]=4 750 B5R1.2 CC1CNC1 80306 [1,0,0,1,0,0|1,0,0]=3 751 B5R1.2 C[C@H]1CCN1 86769 [1,0,0,1,0,0|1,0,0]=3 752 B5R1.2 IC1COC1 66502 [1,0,0,1,0,0|2,0,0]=4 753 B5R1.2 NC1CCC1 51600 [1,0,0,1,0,0|1,0,0]=3 754 B5R1.2 NC1CCC1 F10463 [1,0,0,1,0,0|1,0,0]=3 755 B5R1.2 NC1CNC1 SC3251 [1,0,0,1,0,0|2,0,0]=4 756 B5R1.2 NC1COC1 66129 [1,0,0,1,0,0|2,0,0]=4 757 B5R1.2 NC1COC1 CS1335 [1,0,0,1,0,0|2,0,0]=4 758 B5R1.2 O=C1CCC1 24502 [1,0,0,1,0,0|0,0,2]=4 759 B5R1.2 O=C1CCO1 AT19319 [1,0,0,1,0,0|1,0,1]=4 760 B5R1.2 OC1CCC1 59166 [1,0,0,1,0,0|0,0,0]=2 761 B5R1.2 OC1CNC1 52824 [1,0,0,1,0,0|1,0,0]=3 762 B5R1.2 OC1COC1 66387 [1,0,0,1,0,0|1,0,0]=3 763 B5R1.2 OC1CSC1 P17229 [1,0,0,1,0,0|1,0,0]=3 764 B5R1.3 BrCC1CC1 23011 [1,0,0,1,0,0|1,0,0]=3 765 B5R1.3 BrC[C@H]1CO1 D87836 [1,0,0,1,0,0|1,0,0]=3 766 B5R1.3 C#CC1CC1 F15427 [1,0,0,1,0,0|0,0,2]=4 767 B5R1.3 C=C[C@@H]1CO1 D90487 [1,0,0,1,0,0|0,0,2]=4 768 B5R1.3 CC[C@H]1CO1 A11382 [1,0,0,1,0,0|0,0,0]=2 769 B5R1.3 CNC1CC1 83251 [1,0,0,1,0,0|1,0,0]=3 770 B5R1.3 CNC1CC1 BL006056 [1,0,0,1,0,0|1,0,0]=3 771 B5R1.3 ClCC1CC1 58186 [1,0,0,1,0,0|1,0,0]=3 772 B5R1.3 ClC[C@H]1CO1 37930 [1,0,0,1,0,0|1,0,0]=3 773 B5R1.3 NCC1CC1 F11902 [1,0,0,1,0,0|1,0,0]=3 774 B5R1.3 O=CC1CC1 82833 [1,0,0,1,0,0|0,0,2]=4 775 B5R1.3 OC[C@H]1CO1 23077 [1,0,0,1,0,0|1,0,0]=3 776 B5R1.3 OC[C@H]1CO1 A10767 [1,0,0,1,0,0|1,0,0]=3 777 B5R1.3 OC[C@H]1CO1 H11320 [1,0,0,1,0,0|1,0,0]=3 778 B5R1.4 N[C@@H]1C[C@@H]1F P19427 [1,0,0,1,0,0|2,0,0]=4 779 B7R1.1 BrCC1CCCC1 54494 [0,1,0,1,0,0|1,0,0]=3 780 B7R1.1 BrCC1OCCO1 O10502 [0,1,0,1,0,0|1,0,0]=3 781 B7R1.1 BrC[C@H]1CCCO1 P10030 [0,1,0,1,0,0|0,0,0]=2 782 B7R1.1 C#CC1CCCC1 F16298 [0,1,0,1,0,0|1,0,0]=3 783 B7R1.1 CCN1CCCC1 F17079 [0,1,0,1,0,0|1,0,0]=3 784 B7R1.1 CNC1CCCC1 F20064 [0,1,0,1,0,0|1,0,0]=3 785 B7R1.1 CN[C@H]1CCNC1 22848 [0,1,0,1,0,0|2,0,0]=4 786 B7R1.1 CN[C@H]1CCNC1 71156 [0,1,0,1,0,0|2,0,0]=4 787 B7R1.1 CN[C@H]1CCOC1 P10528 [0,1,0,1,0,0|1,0,0]=3 788 B7R1.1 CN[C@H]1CCOC1 P10858 [0,1,0,1,0,0|1,0,0]=3 789 B7R1.1 COC1=NCCC1 O11464 [0,1,0,1,0,0|1,0,1]=4 790 B7R1.1 COC1OCCO1 D78408 [0,1,0,1,0,0|1,0,0]=3 791 B7R1.1 CO[C@H]1CCNC1 27715 [0,1,0,1,0,0|1,0,0]=3 792 B7R1.1 CO[C@H]1CCNC1 63946 [0,1,0,1,0,0|1,0,0]=3 793 B7R1.1 CO[C@H]1CCNC1 63947 [0,1,0,1,0,0|1,0,0]=3 794 B7R1.1 CO[C@H]1CCNC1 P10861 [0,1,0,1,0,0|1,0,0]=3 795 B7R1.1 ClCC1OCCO1 H10733 [0,1,0,1,0,0|1,0,0]=3 796 B7R1.1 ClC[C@H]1CCCO1 D78464 [0,1,0,1,0,0|0,0,0]=2 797 B7R1.1 ICC1CCCC1 53338 [0,1,0,1,0,0|1,0,0]=3 798 B7R1.1 IC[C@H]1CCOC1 P10359 [0,1,0,1,0,0|1,0,0]=3 799 B7R1.1 N#CC1CCCC1 35375 [0,1,0,1,0,0|1,0,0]=3 800 B7R1.1 N#CN1CCCC1 T71834 [0,1,0,1,0,0|1,0,1]=4 801 B7R1.1 N#C[C@@H]1CCCN1 37677 [0,1,0,1,0,0|1,0,1]=4 802 B7R1.1 N#C[C@@H]1CCCN1 37679 [0,1,0,1,0,0|1,0,1]=4 803 B7R1.1 N#C[C@H]1CCOC1 71748 [0,1,0,1,0,0|1,0,1]=4 804 B7R1.1 NCC1CCCC1 52183 [0,1,0,1,0,0|1,0,0]=3 805 B7R1.1 NCC1OCCO1 F50673 [0,1,0,1,0,0|1,0,0]=3 806 B7R1.1 NC[C@H]1CCCN1 36336 [0,1,0,1,0,0|1,0,0]=3 807 B7R1.1 NC[C@H]1CCCN1 38156 [0,1,0,1,0,0|1,0,0]=3 808 B7R1.1 NC[C@H]1CCOC1 37315 [0,1,0,1,0,0|1,0,0]=3 809 B7R1.1 NC[C@H]1CCOC1 SC2551 [0,1,0,1,0,0|1,0,0]=3 810 B7R1.1 NNC1CCCC1 AB1370 [0,1,0,1,0,0|1,0,0]=3 811 B7R1.1 O=CC1CCCC1 H11353 [0,1,0,1,0,0|0,0,1]=3 812 B7R1.1 O=CN1CCCC1 D83491 [0,1,0,1,0,0|0,0,2]=4 813 B7R1.1 O=C[C@H]1CCOC1 I10170 [0,1,0,1,0,0|0,0,2]=4 814 B7R1.1 O=NN1CCCC1 D82025 [0,1,0,1,0,0|1,0,1]=4 815 B7R1.1 OCC1CC=CC1 23897 [0,1,0,1,0,0|0,0,1]=3 816 B7R1.1 OCC1CCCC1 23321 [0,1,0,1,0,0|0,0,0]=2 817 B7R1.1 OCC1OCCO1 I11345 [0,1,0,1,0,0|1,0,0]=3 818 B7R1.1 OC[C@H]1CCCN1 11146 [0,1,0,1,0,0|0,0,0]=2 819 B7R1.1 OC[C@H]1CCCN1 11148 [0,1,0,1,0,0|0,0,0]=2 820 B7R1.1 OC[C@H]1CCCN1 F10903 [0,1,0,1,0,0|0,0,0]=2 821 B7R1.1 OC[C@H]1CCCO1 D77646 [0,1,0,1,0,0|0,0,0]=2 822 B7R1.1 OC[C@H]1CCCO1 W18447 [0,1,0,1,0,0|0,0,0]=2 823 B7R1.1 OC[C@H]1CCNC1 25702 [0,1,0,1,0,0|0,0,0]=2 824 B7R1.1 OC[C@H]1CCNC1 62385 [0,1,0,1,0,0|0,0,0]=2 825 B7R1.1 OC[C@H]1CCNC1 62386 [0,1,0,1,0,0|0,0,0]=2 826 B7R1.1 OC[C@H]1CCNC1 62387 [0,1,0,1,0,0|0,0,0]=2 827 B7R1.1 OC[C@H]1CCOC1 83670 [0,1,0,1,0,0|0,0,0]=2 828 B7R1.1 OC[C@H]1COCO1 D70284 [0,1,0,1,0,0|1,0,0]=3 829 B7R1.1 ON=C1CCCC1 FD9020 [0,1,0,1,0,0|0,0,1]=3 830 B7R1.2 CC1CCC(C)N1 D96806 [0,1,0,1,0,0|1,0,0]=3 831 B7R1.2 CC1COS(=O)O1 D91602 [0,1,0,1,0,0|2,0,0]=4 832 B7R1.2 CN1CC[C@H](N)C1 25845 [0,1,0,1,0,0|2,0,0]=4 833 B7R1.2 CN1CC[C@H](N)C1 72398 [0,1,0,1,0,0|2,0,0]=4 834 B7R1.2 CN1CC[C@H](O)C1 62204 [0,1,0,1,0,0|1,0,0]=3 835 B7R1.2 CN1CC[C@H](O)C1 62205 [0,1,0,1,0,0|1,0,0]=3 836 B7R1.2 CN1CC[C@H](O)C1 62206 [0,1,0,1,0,0|1,0,0]=3 837 B7R1.2 C[C@H]1CCC(=O)C1 F10505 [0,1,0,1,0,0|0,0,2]=4 838 B7R1.2 C[C@H]1CCC(=O)N1 D72848 [0,1,0,1,0,0|0,0,2]=4 839 B7R1.2 C[C@H]1CCC(=O)O1 P20539 [0,1,0,1,0,0|0,0,1]=3 840 B7R1.2 C[C@H]1COC(=O)O1 28658 [0,1,0,1,0,0|1,0,1]=4 841 B7R1.2 N[C@@H]1COC(=O)C1 FD1172 [0,1,0,1,0,0|1,0,1]=4 842 B7R1.2 O=C1C[C@H](O)CN1 26280 [0,1,0,1,0,0|1,0,1]=4 843 B7R1.2 O=C1C[C@H](O)CN1 62393 [0,1,0,1,0,0|1,0,1]=4 844 B7R1.2 O=C1C[C@H](O)CN1 62394 [0,1,0,1,0,0|1,0,1]=4 845 B7R1.2 O=C1C[C@H](O)CO1 H11711 [0,1,0,1,0,0|1,0,1]=4 846 B7R1.2 OC1CCC(O)C1 P10003 [0,1,0,1,0,0|0,0,0]=2 847 B7R1.3 BrC1=CCCCC1 N12373 [0,1,0,1,0,0|1,0,1]=4 848 B7R1.3 BrC1CCCCC1 P19773 [0,1,0,1,0,0|1,0,0]=3 849 B7R1.3 BrC1CCNCC1 CL3102 [0,1,0,1,0,0|1,0,0]=3 850 B7R1.3 BrC1CCOCC1 34656 [0,1,0,1,0,0|0,0,0]=2 851 B7R1.3 Br[C@@H]1C=CCCC1 25070 [0,1,0,1,0,0|1,0,1]=4 852 B7R1.3 Br[C@H]1CCCNC1 P16558 [0,1,0,1,0,0|1,0,0]=3 853 B7R1.3 Br[C@H]1CCCOC1 26576 [0,1,0,1,0,0|0,0,0]=2 854 B7R1.3 CC1=CCCCC1 H10759 [0,1,0,1,0,0|1,0,0]=3 855 B7R1.3 CC1=CCCNC1 39250 [0,1,0,1,0,0|1,0,1]=4 856 B7R1.3 CC1=CCNCC1 39249 [0,1,0,1,0,0|1,0,1]=4 857 B7R1.3 CC1SCCCS1 D75611 [0,1,0,1,0,0|0,1,0]=3 858 B7R1.3 CN1CCNCC1 D70771 [0,1,0,1,0,0|2,0,0]=4 859 B7R1.3 CN1CCOCC1 AB7556 [0,1,0,1,0,0|1,0,0]=3 860 B7R1.3 C[C@H]1CCCCN1 64251 [0,1,0,1,0,0|1,0,0]=3 861 B7R1.3 C[C@H]1CCCCN1 64253 [0,1,0,1,0,0|1,0,0]=3 862 B7R1.3 C[C@H]1CCCNC1 79119 [0,1,0,1,0,0|1,0,0]=3 863 B7R1.3 C[C@H]1CCCNC1 N10739 [0,1,0,1,0,0|1,0,0]=3 864 B7R1.3 C[C@H]1CNCCN1 29363 [0,1,0,1,0,0|1,0,0]=3 865 B7R1.3 C[C@H]1CNCCN1 29364 [0,1,0,1,0,0|1,0,0]=3 866 B7R1.3 C[C@H]1CNCCN1 29365 [0,1,0,1,0,0|1,0,0]=3 867 B7R1.3 C[C@H]1CNCCN1 29366 [0,1,0,1,0,0|1,0,0]=3 868 B7R1.3 C[C@H]1CNCCO1 27675 [0,1,0,1,0,0|0,0,0]=2 869 B7R1.3 C[C@H]1CNCCO1 F13092 [0,1,0,1,0,0|0,0,0]=2 870 B7R1.3 C[C@H]1COCCN1 24436 [0,1,0,1,0,0|1,0,0]=3 871 B7R1.3 C[C@H]1COCCN1 25281 [0,1,0,1,0,0|1,0,0]=3 872 B7R1.3 C[C@H]1COCCN1 36208 [0,1,0,1,0,0|1,0,0]=3 873 B7R1.3 C[C@H]1COCCN1 39286 [0,1,0,1,0,0|1,0,0]=3 874 B7R1.3 C[C@H]1COCCN1 63476 [0,1,0,1,0,0|1,0,0]=3 875 B7R1.3 ClC1CCNCC1 57750 [0,1,0,1,0,0|1,0,0]=3 876 B7R1.3 ClC1CCOCC1 F17652 [0,1,0,1,0,0|0,0,0]=2 877 B7R1.3 FC1CCNCC1 37042 [0,1,0,1,0,0|1,0,0]=3 878 B7R1.3 FC1CCNCC1 I11481 [0,1,0,1,0,0|1,0,0]=3 879 B7R1.3 F[C@H]1CCCNC1 37083 [0,1,0,1,0,0|1,0,0]=3 880 B7R1.3 IC1CCCCC1 F20359 [0,1,0,1,0,0|1,0,0]=3 881 B7R1.3 IC1CCOCC1 25900 [0,1,0,1,0,0|0,0,0]=2 882 B7R1.3 NC1CCNCC1 66081 [0,1,0,1,0,0|1,0,0]=3 883 B7R1.3 NC1CCNCC1 66087 [0,1,0,1,0,0|1,0,0]=3 884 B7R1.3 NC1CCOCC1 66544 [0,1,0,1,0,0|0,0,0]=2 885 B7R1.3 NC1CCOCC1 83442 [0,1,0,1,0,0|0,0,0]=2 886 B7R1.3 NC1CCOCC1 D95622 [0,1,0,1,0,0|0,0,0]=2 887 B7R1.3 NC1CCSCC1 F15695 [0,1,0,1,0,0|0,1,0]=3 888 B7R1.3 NC1CCSCC1 SC1591 [0,1,0,1,0,0|0,1,0]=3 889 B7R1.3 NN1CCCCC1 77856 [0,1,0,1,0,0|1,0,0]=3 890 B7R1.3 NN1CCCCC1 78303 [0,1,0,1,0,0|1,0,0]=3 891 B7R1.3 NN1CCOCC1 28683 [0,1,0,1,0,0|1,0,0]=3 892 B7R1.3 N[C@H]1CCCNC1 51800 [0,1,0,1,0,0|1,0,0]=3 893 B7R1.3 N[C@H]1CCCNC1 51802 [0,1,0,1,0,0|1,0,0]=3 894 B7R1.3 N[C@H]1CCCNC1 51816 [0,1,0,1,0,0|1,0,0]=3 895 B7R1.3 N[C@H]1CCCNC1 D77676 [0,1,0,1,0,0|1,0,0]=3 896 B7R1.3 N[C@H]1CCCOC1 53314 [0,1,0,1,0,0|0,0,0]=2 897 B7R1.3 N[C@H]1CCCOC1 69737 [0,1,0,1,0,0|0,0,0]=2 898 B7R1.3 N[C@H]1CCCOC1 P10539 [0,1,0,1,0,0|0,0,0]=2 899 B7R1.3 O=C1CCCCN1 F10312 [0,1,0,1,0,0|0,0,2]=4 900 B7R1.3 O=C1CCCCO1 20506 [0,1,0,1,0,0|0,0,1]=3 901 B7R1.3 O=C1CCCNC1 36189 [0,1,0,1,0,0|0,0,2]=4 902 B7R1.3 O=C1CCCNC1 65124 [0,1,0,1,0,0|0,0,2]=4 903 B7R1.3 O=C1CCCOC1 67990 [0,1,0,1,0,0|0,0,1]=3 904 B7R1.3 O=C1CCCSC1 38182 [0,1,0,1,0,0|0,0,2]=4 905 B7R1.3 O=C1CCNCC1 AB2978 [0,1,0,1,0,0|0,0,2]=4 906 B7R1.3 O=C1CCNCC1 AB7716 [0,1,0,1,0,0|0,0,2]=4 907 B7R1.3 O=C1CCOCC1 28100 [0,1,0,1,0,0|0,0,1]=3 908 B7R1.3 O=C1CCSCC1 34742 [0,1,0,1,0,0|0,0,2]=4 909 B7R1.3 O=C1COCCN1 35814 [0,1,0,1,0,0|1,0,1]=4 910 B7R1.3 O=C1COCCO1 39291 [0,1,0,1,0,0|1,0,1]=4 911 B7R1.3 O=C1NCCCO1 30441 [0,1,0,1,0,0|1,0,1]=4 912 B7R1.3 O=C1OCCCO1 F20507 [0,1,0,1,0,0|1,0,1]=4 913 B7R1.3 O=S1CCNCC1 C10519 [0,1,0,1,0,0|1,0,1]=4 914 B7R1.3 O=S1OCCCO1 D90284 [0,1,0,1,0,0|2,0,0]=4 915 B7R1.3 OC1CCNCC1 34448 [0,1,0,1,0,0|0,0,0]=2 916 B7R1.3 OC1CCNCC1 67739 [0,1,0,1,0,0|0,0,0]=2 917 B7R1.3 OC1CCOCC1 67293 [0,1,0,1,0,0|0,0,0]=2 918 B7R1.3 OC1CCSCC1 25187 [0,1,0,1,0,0|0,0,0]=2 919 B7R1.3 OC1COCOC1 C10654 [0,1,0,1,0,0|1,0,0]=3 920 B7R1.3 ON1CCCCC1 65654 [0,1,0,1,0,0|0,0,0]=2 921 B7R1.3 O[C@@H]1C=CCCC1 59596 [0,1,0,1,0,0|0,0,1]=3 922 B7R1.3 O[C@@H]1CC=CCC1 D83542 [0,1,0,1,0,0|0,0,1]=3 923 B7R1.3 O[C@@H]1CCCCO1 F19855 [0,1,0,1,0,0|0,0,0]=2 924 B7R1.3 O[C@H]1CCCNC1 29155 [0,1,0,1,0,0|0,0,0]=2 925 B7R1.3 O[C@H]1CCCNC1 29156 [0,1,0,1,0,0|0,0,0]=2 926 B7R1.3 O[C@H]1CCCNC1 29157 [0,1,0,1,0,0|0,0,0]=2 927 B7R1.3 O[C@H]1CCCNC1 37164 [0,1,0,1,0,0|0,0,0]=2 928 B7R1.3 O[C@H]1CCCNC1 67738 [0,1,0,1,0,0|0,0,0]=2 929 B7R1.3 O[C@H]1CCCNC1 P10773 [0,1,0,1,0,0|0,0,0]=2 930 B7R1.3 O[C@H]1CCCOC1 25828 [0,1,0,1,0,0|0,0,0]=2 931 B7R1.4 CC1OCCC1S AT13652 [0,1,0,1,0,0|0,0,0]=2 932 B7R1.4 CN1CCCC1=O D78116 [0,1,0,1,0,0|0,0,2]=4 933 B7R1.4 CN1CCCC1=S F16372 [0,1,0,1,0,0|0,1,1]=4 934 B7R1.4 C[C@@H]1OCCC1=O O10840 [0,1,0,1,0,0|0,0,1]=3 935 B7R1.4 C[C@@H]1SCCC1=O AC7518 [0,1,0,1,0,0|0,0,2]=4 936 B7R1.4 C[C@H]1CCCC1=O 29606 [0,1,0,1,0,0|0,0,1]=3 937 B7R1.4 C[C@H]1CCOC1=O D70164 [0,1,0,1,0,0|0,0,2]=4 938 B7R1.4 NC1CCCC1O 25425 [0,1,0,1,0,0|0,0,0]=2 939 B7R1.4 N[C@@H]1CCC[C@@H]1O 26214 [0,1,0,1,0,0|0,0,0]=2 940 B7R1.4 N[C@@H]1CCC[C@@H]1O 35677 [0,1,0,1,0,0|0,0,0]=2 941 B7R1.4 N[C@@H]1CCC[C@@H]1O P18490 [0,1,0,1,0,0|0,0,0]=2 942 B7R1.4 N[C@H]1CCC[C@@H]1O 28945 [0,1,0,1,0,0|0,0,0]=2 943 B7R1.4 N[C@H]1CCC[C@@H]1O 34523 [0,1,0,1,0,0|0,0,0]=2 944 B7R1.4 N[C@H]1CCC[C@@H]1O P15627 [0,1,0,1,0,0|0,0,0]=2 945 B7R1.4 N[C@H]1CCOC1=O 28853 [0,1,0,1,0,0|1,0,1]=4 946 B7R1.4 N[C@H]1CCOC1=O F14759 [0,1,0,1,0,0|1,0,1]=4 947 B7R1.4 N[C@H]1CCOC1=O FD1139 [0,1,0,1,0,0|1,0,1]=4 948 B7R1.4 N[C@H]1CCOC1=O FD1142 [0,1,0,1,0,0|1,0,1]=4 949 B7R1.4 N[C@H]1CCOC1=O W12226 [0,1,0,1,0,0|1,0,1]=4 950 B7R1.4 N[C@H]1COC[C@@H]1O 72165 [0,1,0,1,0,0|1,0,0]=3 951 B7R1.4 O=C1CCC[C@@H]1Cl F10995 [0,1,0,1,0,0|0,0,2]=4 952 B7R1.4 O=C1NCC[C@@H]1O 25307 [0,1,0,1,0,0|1,0,1]=4 953 B7R1.4 O=C1NCC[C@@H]1O 27245 [0,1,0,1,0,0|1,0,1]=4 954 B7R1.4 O=C1NCC[C@@H]1O 68731 [0,1,0,1,0,0|1,0,1]=4 955 B7R1.4 O=C1OCC[C@@H]1Br H10671 [0,1,0,1,0,0|1,0,1]=4 956 B7R1.4 O=C1OCC[C@@H]1O A12215 [0,1,0,1,0,0|1,0,1]=4 957 B7R1.4 O=C1OCC[C@@H]1O T72635 [0,1,0,1,0,0|1,0,1]=4 958 B7R1.4 OC1CCCC1O 31469 [0,1,0,1,0,0|0,0,0]=2 959 B7R1.4 O[C@H]1CCC[C@@H]1Cl AC7912 [0,1,0,1,0,0|0,0,0]=2 960 B7R1.4 O[C@H]1CCC[C@@H]1O AC7934 [0,1,0,1,0,0|0,0,0]=2 961 B7R1.4 O[C@H]1CNC[C@@H]1F 72841 [0,1,0,1,0,0|1,0,0]=3 962 B7R1.4 O[C@H]1CNC[C@@H]1O 27317 [0,1,0,1,0,0|1,0,0]=3 963 B7R1.4 O[C@H]1CNC[C@@H]1O 38821 [0,1,0,1,0,0|1,0,0]=3 964 B7R1.4 O[C@H]1CNC[C@H]1O 38822 [0,1,0,1,0,0|1,0,0]=3 965 B7R1.4 O[C@H]1COC[C@@H]1O 53260 [0,1,0,1,0,0|1,0,0]=3 966 B7R1.6 CCOC1CNC1 25335 [0,1,0,1,0,0|2,0,0]=4 967 B7R1.6 COC[C@H]1CCN1 P13481 [0,1,0,1,0,0|1,0,0]=3 968 B7R1.6 COC[C@H]1CCN1 P14494 [0,1,0,1,0,0|1,0,0]=3 969 B7R1.6 N#CCN1CCC1 D79160 [0,1,0,1,0,0|1,0,1]=4 970 B7R1.6 NCCN1CCC1 P15319 [0,1,0,1,0,0|1,0,0]=3 971 B7R1.6 NNCC1CCC1 D93648 [0,1,0,1,0,0|1,0,0]=3 972 B7R1.10 CCN1CC(N)C1 P20448 [0,1,0,1,0,0|2,0,0]=4 973 B7R1.10 CCN1CC(O)C1 32510 [0,1,0,1,0,0|1,0,0]=3 974 B7R1.10 CCN1CC(O)C1 P11466 [0,1,0,1,0,0|1,0,0]=3 975 B7R1.10 CN1CC(CO)C1 P15220 [0,1,0,1,0,0|1,0,0]=3 976 B7R1.10 N#CC1CC(O)C1 P15374 [0,1,0,1,0,0|1,0,1]=4 977 B7R1.10 NC1CC(CO)C1 37213 [0,1,0,1,0,0|0,0,0]=2 978 B7R1.10 NCC1CC(=O)C1 38380 [0,1,0,1,0,0|1,0,1]=4 979 B7R1.10 NC[C@H]1C[C@@H](O)C1 37658 [0,1,0,1,0,0|1,0,0]=3 980 B7R1.10 NC[C@H]1C[C@H](F)C1 38650 [0,1,0,1,0,0|1,0,0]=3 981 B7R1.10 O=C1CC(CO)C1 P11065 [0,1,0,1,0,0|0,0,1]=3 982 B7R1.10 OCC1CC(Cl)C1 38986 [0,1,0,1,0,0|0,0,0]=2 983 B7R1.22 CC[C@H](N)C1CC1 P15918 [0,1,0,1,0,0|1,0,0]=3 984 B7R1.22 CC[C@H](O)C1CC1 P15300 [0,1,0,1,0,0|1,0,0]=3 985 B7R1.22 COC(=O)[C@@H]1CO1 A11057 [0,1,0,1,0,0|1,0,1]=4 986 B7R1.22 COC(=O)[C@@H]1CO1 AC2359 [0,1,0,1,0,0|1,0,1]=4 987 B7R1.22 COC(=O)[C@@H]1CO1 H11420 [0,1,0,1,0,0|1,0,1]=4 988 B7R1.22 N\C(=N/O)C1CC1 31323 [0,1,0,1,0,0|1,0,1]=4 989 B7R1.22 O=C(CBr)C1CC1 28934 [0,1,0,1,0,0|1,0,1]=4 990 B7R1.25 CC1(CBr)CCC1 P19189 [0,1,0,1,0,0|1,0,0]=3 991 B7R1.25 CC1(CBr)COC1 35403 [0,1,0,1,0,0|2,0,0]=4 992 B7R1.25 CC1(CCl)COC1 P10201 [0,1,0,1,0,0|2,0,0]=4 993 B7R1.25 CC1(CI)COC1 30624 [0,1,0,1,0,0|2,0,0]=4 994 B7R1.25 CC1(CN)CCC1 38631 [0,1,0,1,0,0|1,0,0]=3 995 B7R1.25 CC1(CN)COC1 66391 [0,1,0,1,0,0|2,0,0]=4 996 B7R1.25 CC1(CO)COC1 59847 [0,1,0,1,0,0|1,0,0]=3 997 B7R1.25 CCC1(N)CCC1 D79212 [0,1,0,1,0,0|1,0,0]=3 998 B7R1.25 CCC1(N)CNC1 P17702 [0,1,0,1,0,0|2,0,0]=4 999 B7R1.25 CCC1(O)CNC1 54091 [0,1,0,1,0,0|2,0,0]=4 1000 B7R1.25 N#CC1(N)CCC1 F30101 [0,1,0,1,0,0|1,0,1]=4 1001 B7R1.25 NC1(CO)CCC1 37739 [0,1,0,1,0,0|0,0,0]=2 1002 B7R1.25 OCC1(F)CNC1 86197 [0,1,0,1,0,0|1,0,0]=3 1003 B7R1.7 C=CCC[C@H]1CO1 F17137 [0,1,0,1,0,0|0,0,1]=3 1004 B7R1.7 CCNCC1CC1 F14236 [0,1,0,1,0,0|1,0,0]=3 1005 B7R1.7 OCC#CC1CC1 78487 [0,1,0,1,0,0|0,0,1]=3 1006 B7R1.12 O=C(O)C1CC1F CS2163 [0,1,0,1,0,0|1,0,1]=4 1007 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F CS1221 [0,1,0,1,0,0|1,0,1]=4 1008 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F CS1224 [0,1,0,1,0,0|1,0,1]=4 1009 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F CS2019 [0,1,0,1,0,0|1,0,1]=4 1010 B7R1.12 O=C(O)[C@H]1C[C@@H]1F CS1503 [0,1,0,1,0,0|1,0,1]=4 1011 B7R1.14 CC1(C)CCNC1 AB7085 [0,1,0,1,0,0|2,0,0]=4 1012 B7R1.14 CC1(C)NCCS1 23422 [0,1,0,1,0,0|1,1,0]=4 1013 B7R1.14 CC1(O)CCCC1 35177 [0,1,0,1,0,0|0,0,0]=2 1014 B7R1.14 C[C@]1(O)CCNC1 37166 [0,1,0,1,0,0|1,0,0]=3 1015 B7R1.14 C[C@]1(O)CCNC1 72101 [0,1,0,1,0,0|1,0,0]=3 1016 B7R1.14 FC1(F)CCNC1 60328 [0,1,0,1,0,0|2,0,0]=4 1017 B7R1.14 FC1(F)CCNC1 I11425 [0,1,0,1,0,0|2,0,0]=4 1018 B7R1.14 N=S1(=O)CCCC1 W16224 [0,1,0,1,0,0|1,0,1]=4 1019 B7R1.14 O=S1(=O)CCCC1 D78046 [0,1,0,1,0,0|1,0,1]=4 1020 B7R1.18 CC(=O)C1CCC1 P15299 [0,1,0,1,0,0|0,0,2]=4 1021 B7R1.18 C[C@H](O)C1CCC1 24983 [0,1,0,1,0,0|0,0,0]=2 1022 B7R1.18 C[C@H](O)C1CCC1 P18048 [0,1,0,1,0,0|0,0,0]=2 1023 B7R1.18 N=C(N)C1CCC1 29597 [0,1,0,1,0,0|1,0,1]=4 1024 B7R1.18 O=C(Cl)C1CCC1 D87747 [0,1,0,1,0,0|0,0,2]=4 1025 B7R1.18 O=C(O)C1CCC1 59526 [0,1,0,1,0,0|0,0,1]=3 1026 B7R1.18 O=C(O)C1CNC1 56245 [0,1,0,1,0,0|1,0,1]=4 1027 B7R1.18 O=C(O)C1CNC1 67857 [0,1,0,1,0,0|1,0,1]=4 1028 B7R1.18 O=C(O)[C@@H]1CCN1 20950 [0,1,0,1,0,0|1,0,1]=4 1029 B7R1.18 O=C(O)[C@@H]1CCN1 20951 [0,1,0,1,0,0|1,0,1]=4 1030 B7R1.18 O=C(O)[C@@H]1CCN1 24715 [0,1,0,1,0,0|1,0,1]=4 1031 B7R1.18 O=C(O)[C@@H]1CCN1 57406 [0,1,0,1,0,0|1,0,1]=4 1032 B7R1.18 O=C(O)[C@@H]1CCN1 66104 [0,1,0,1,0,0|1,0,1]=4 1033 B7R1.18 OB(O)C1CCC1 35984 [0,1,0,1,0,0|1,0,0]=3 1034 B7R1.20 O=C(O)CC1CC1 CL4520 [0,1,0,1,0,0|0,0,1]=3 1035 B7R1.23 CC1(C)C[C@@H]1C#N 39301 [0,1,0,1,0,0|1,0,1]=4 1036 B7R1.23 OC[C@H]1CC1(F)F 33581 [0,1,0,1,0,0|1,0,0]=3 1037 B7R1.24 C1CNCCNC1 F10906 [0,1,0,1,0,0|1,0,0]=3 1038 B7R1.24 C1CNCCOC1 31105 [0,1,0,1,0,0|0,0,0]=2 1039 B7R2.13 C1CC2OC2C1 28601 [0,0,0,2,0,0|0,0,0]=2 1040 B7R2.13 C1NCC2CC12 80416 [0,0,0,2,0,0|1,0,0]=3 1041 B7R2.13 C1OCC2OC12 39124 [0,0,0,2,0,0|1,0,0]=3