0 B6R0.1 C#CC(=O)OCC 35931 [0,0,0,0,0,0|2,0,1]=3 1 B6R0.1 C=CC(=O)NCC AB9195 [0,0,0,0,0,0|2,0,1]=3 2 B6R0.1 C=CCC(=O)OC F15018 [0,0,0,0,0,0|0,0,2]=2 3 B6R0.1 C=C[C@@H](O)CCC D90922 [0,0,0,0,0,0|1,0,3]=4 4 B6R0.1 CC#CC(=O)OC D73343 [0,0,0,0,0,0|0,0,2]=2 5 B6R0.1 CCC(=O)CC#N 28991 [0,0,0,0,0,0|2,0,1]=3 6 B6R0.1 CCCC(=O)CC D90801 [0,0,0,0,0,0|1,0,0]=1 7 B6R0.1 CCCC(=O)NN O11707 [0,0,0,0,0,0|2,0,0]=2 8 B6R0.1 CCCC(=O)SC D91533 [0,0,0,0,0,0|0,1,0]=1 9 B6R0.1 CCC[C@@H](Cl)CC D76318 [0,0,0,0,0,0|2,0,1]=3 10 B6R0.1 CCC[C@H](C)CCl D89415 [0,0,0,0,0,0|3,0,1]=4 11 B6R0.1 CCC[C@H](N)CO A10468 [0,0,0,0,0,0|3,0,1]=4 12 B6R0.1 CCC[C@H](O)CO 73676 [0,0,0,0,0,0|2,0,2]=4 13 B6R0.1 CCNC(=S)NN D97435 [0,0,0,0,0,0|3,1,0]=4 14 B6R0.1 CCOC(=N)CC W15737 [0,0,0,0,0,0|3,0,0]=3 15 B6R0.1 CCOC(=O)CN C93496 [0,0,0,0,0,0|3,0,0]=3 16 B6R0.1 CCOC(=O)CO 39380 [0,0,0,0,0,0|3,0,0]=3 17 B6R0.1 CCOC(=O)CS F21271 [0,0,0,0,0,0|3,0,0]=3 18 B6R0.1 CCOC(=O)NC D91332 [0,0,0,0,0,0|2,0,0]=2 19 B6R0.1 CCOC(=O)NN D77690 [0,0,0,0,0,0|3,0,0]=3 20 B6R0.1 CCOC(=O)OC A11149 [0,0,0,0,0,0|1,0,0]=1 21 B6R0.1 CCO[C@@H](C)CC D88933 [0,0,0,0,0,0|3,0,1]=4 22 B6R0.1 CCO\C(C)=N\O 23036 [0,0,0,0,0,0|4,0,0]=4 23 B6R0.1 CCO\C(C)=N\O H10740 [0,0,0,0,0,0|4,0,0]=4 24 B6R0.1 CNC(=O)CC#N 23669 [0,0,0,0,0,0|2,0,1]=3 25 B6R0.1 CNCC(=O)NC 71568 [0,0,0,0,0,0|2,0,0]=2 26 B6R0.1 CNCC(=O)OC 73733 [0,0,0,0,0,0|1,0,0]=1 27 B6R0.1 COC(=O)C#CBr O11909 [0,0,0,0,0,0|1,0,2]=3 28 B6R0.1 COC(=O)CC#N D77797 [0,0,0,0,0,0|1,0,1]=2 29 B6R0.1 COC(=O)CCBr AB7483 [0,0,0,0,0,0|1,0,0]=1 30 B6R0.1 COC(=O)CCCl D95821 [0,0,0,0,0,0|1,0,0]=1 31 B6R0.1 COC(=O)CCN S12362 [0,0,0,0,0,0|1,0,0]=1 32 B6R0.1 COC(=O)CCO 29940 [0,0,0,0,0,0|1,0,0]=1 33 B6R0.1 COC(=O)CCS D70327 [0,0,0,0,0,0|1,0,0]=1 34 B6R0.1 COC(=O)CSC D87959 [0,0,0,0,0,0|1,0,0]=1 35 B6R0.1 COC(=O)\C=C/I C75918 [0,0,0,0,0,0|1,0,2]=3 36 B6R0.1 COCC(=O)NN F14662 [0,0,0,0,0,0|3,0,0]=3 37 B6R0.1 CONC(=O)OC D81547 [0,0,0,0,0,0|2,0,0]=2 38 B6R0.1 CO[C@@H](C)CCO D77758 [0,0,0,0,0,0|2,0,1]=3 39 B6R0.1 C\C=C\C(=O)CC 74326 [0,0,0,0,0,0|1,0,2]=3 40 B6R0.1 N#CCC(=O)NN 20467 [0,0,0,0,0,0|3,0,1]=4 41 B6R0.1 O=C(CCl)NCO O10755 [0,0,0,0,0,0|4,0,0]=4 42 B6R0.1 [C-]#[N+]CC(=O)OC 29044 [0,0,0,0,0,0|1,0,1]=2 43 B5R0.1 C#CCC(=O)O F14007 [1,0,0,0,0,0|0,0,2]=3 44 B5R0.1 C=C(C)CCBr 80247 [1,0,0,0,0,0|2,0,0]=3 45 B5R0.1 C=C(C)OCC 78535 [1,0,0,0,0,0|2,0,0]=3 46 B5R0.1 C=CCC(=O)O H10768 [1,0,0,0,0,0|0,0,2]=3 47 B5R0.1 C=CNC(C)=O D92786 [1,0,0,0,0,0|1,0,2]=4 48 B5R0.1 C=NCC(N)=O D97705 [1,0,0,0,0,0|2,0,1]=4 49 B5R0.1 CC#CC(=O)O 66664 [1,0,0,0,0,0|0,0,2]=3 50 B5R0.1 CC(=O)CC#N 88909 [1,0,0,0,0,0|1,0,1]=3 51 B5R0.1 CC(=O)CCCl F20480 [1,0,0,0,0,0|1,0,0]=2 52 B5R0.1 CC(=O)CCO 55787 [1,0,0,0,0,0|1,0,0]=2 53 B5R0.1 CC(=O)NCO FD10622 [1,0,0,0,0,0|2,0,0]=3 54 B5R0.1 CC(=O)OCBr A12670 [1,0,0,0,0,0|2,0,0]=3 55 B5R0.1 CC(=O)OCCl D78132 [1,0,0,0,0,0|2,0,0]=3 56 B5R0.1 CC(=O)\C=N\O D72887 [1,0,0,0,0,0|2,0,1]=4 57 B5R0.1 CC(C)=CCBr 75658 [1,0,0,0,0,0|2,0,1]=4 58 B5R0.1 CC(C)=CCO F20316 [1,0,0,0,0,0|2,0,1]=4 59 B5R0.1 CCCB(O)O 33060 [1,0,0,0,0,0|1,0,1]=3 60 B5R0.1 CCCC(=N)N W10324 [1,0,0,0,0,0|2,0,0]=3 61 B5R0.1 CCCC(=O)[O-] D84277 [1,0,0,0,0,0|0,0,1]=2 62 B5R0.1 CCCC(N)=O D70204 [1,0,0,0,0,0|1,0,0]=2 63 B5R0.1 CCC[C@H](C)N 28967 [1,0,0,0,0,0|1,0,1]=3 64 B5R0.1 CCC[C@H](C)O RB3003 [1,0,0,0,0,0|0,0,2]=3 65 B5R0.1 CCC[C@H](C)O T72186 [1,0,0,0,0,0|0,0,2]=3 66 B5R0.1 CCC[N+](=O)[O-] D97683 [1,0,0,0,0,0|1,0,1]=3 67 B5R0.1 CCNC(C)=O AC2513 [1,0,0,0,0,0|1,0,0]=2 68 B5R0.1 CCNC(C)C D77967 [1,0,0,0,0,0|2,0,1]=4 69 B5R0.1 CCNC(N)=O D95291 [1,0,0,0,0,0|2,0,0]=3 70 B5R0.1 CCOC(=S)[S-] D78138 [1,0,0,0,0,0|1,2,0]=4 71 B5R0.1 CCOC(=S)[S-] D90455 [1,0,0,0,0,0|1,2,0]=4 72 B5R0.1 CCOC(C)=N D70134 [1,0,0,0,0,0|2,0,0]=3 73 B5R0.1 CCOC(N)=O F21294 [1,0,0,0,0,0|2,0,0]=3 74 B5R0.1 CCO[SiH](C)C I11477 [1,0,0,0,0,0|2,1,0]=4 75 B5R0.1 CCSC(=N)N D86401 [1,0,0,0,0,0|3,0,0]=4 76 B5R0.1 CCSC(C)=O H11301 [1,0,0,0,0,0|1,0,0]=2 77 B5R0.1 CC[O+]=C(N)N 35842 [1,0,0,0,0,0|3,0,0]=4 78 B5R0.1 CN(C)CCBr O10701 [1,0,0,0,0,0|3,0,0]=4 79 B5R0.1 CN(C)CCCl D77997 [1,0,0,0,0,0|3,0,0]=4 80 B5R0.1 CN(C)CCN S12293 [1,0,0,0,0,0|3,0,0]=4 81 B5R0.1 CN(C)CCS 35911 [1,0,0,0,0,0|3,0,0]=4 82 B5R0.1 CNCC(=O)O 73735 [1,0,0,0,0,0|1,0,0]=2 83 B5R0.1 CNCC(=O)O AC7804 [1,0,0,0,0,0|1,0,0]=2 84 B5R0.1 CNCC(N)=O A11560 [1,0,0,0,0,0|2,0,0]=3 85 B5R0.1 COCC(=N)N 20309 [1,0,0,0,0,0|3,0,0]=4 86 B5R0.1 COCC(=O)Cl D78222 [1,0,0,0,0,0|2,0,0]=3 87 B5R0.1 COCC(=O)O D77874 [1,0,0,0,0,0|1,0,0]=2 88 B5R0.1 COCC(C)=O D91400 [1,0,0,0,0,0|1,0,0]=2 89 B5R0.1 COCC(N)=O F20983 [1,0,0,0,0,0|2,0,0]=3 90 B5R0.1 COC[C@H](C)O 35103 [1,0,0,0,0,0|1,0,2]=4 91 B5R0.1 COC[C@H](C)O O10158 [1,0,0,0,0,0|1,0,2]=4 92 B5R0.1 CSCC(=O)O F15988 [1,0,0,0,0,0|1,0,0]=2 93 B5R0.1 CSCC(N)=O 23231 [1,0,0,0,0,0|2,0,0]=3 94 B5R0.1 CSC[S@](C)=O 63104 [1,0,0,0,0,0|2,0,0]=3 95 B5R0.1 C[C@H](Cl)CCCl D89632 [1,0,0,0,0,0|2,0,1]=4 96 B5R0.1 C[C@H](N)CCO 36141 [1,0,0,0,0,0|2,0,1]=4 97 B5R0.1 C[C@H](N)CCO 36142 [1,0,0,0,0,0|2,0,1]=4 98 B5R0.1 C[C@H](N)CCO F11725 [1,0,0,0,0,0|2,0,1]=4 99 B5R0.1 C[C@H](O)CCO 55765 [1,0,0,0,0,0|1,0,2]=4 100 B5R0.1 C[C@H](O)CCO O10183 [1,0,0,0,0,0|1,0,2]=4 101 B5R0.1 C[NH2+]CC(C)C D91375 [1,0,0,0,0,0|2,0,1]=4 102 B5R0.1 C\C=C\C(=O)Cl D78102 [1,0,0,0,0,0|1,0,2]=4 103 B5R0.1 C\C=C\C(=O)Cl F20351 [1,0,0,0,0,0|1,0,2]=4 104 B5R0.1 C\C=C\C(=O)O RB8002 [1,0,0,0,0,0|0,0,2]=3 105 B5R0.1 C\C=C\C(C)=O F17125 [1,0,0,0,0,0|0,0,2]=3 106 B5R0.1 N#CCC(=O)O P20002 [1,0,0,0,0,0|1,0,1]=3 107 B5R0.1 N#CCC(=O)[O-] D83681 [1,0,0,0,0,0|1,0,2]=4 108 B5R0.1 N#CCC(N)=O W18657 [1,0,0,0,0,0|2,0,1]=4 109 B5R0.1 NC(=O)CCBr C16124 [1,0,0,0,0,0|2,0,0]=3 110 B5R0.1 NCCC(N)=O F13534 [1,0,0,0,0,0|2,0,0]=3 111 B5R0.1 NOCC(=O)O H11929 [1,0,0,0,0,0|2,0,0]=3 112 B5R0.1 O=C(Cl)CCBr D88890 [1,0,0,0,0,0|2,0,0]=3 113 B5R0.1 O=C(Cl)OCCl H11933 [1,0,0,0,0,0|3,0,0]=4 114 B5R0.1 O=C(O)CCBr P17146 [1,0,0,0,0,0|1,0,0]=2 115 B5R0.1 O=C(O)CCF 71324 [1,0,0,0,0,0|1,0,0]=2 116 B5R0.1 O=C(O)CCI D91073 [1,0,0,0,0,0|1,0,0]=2 117 B5R0.1 O=C(O)CCO 77998 [1,0,0,0,0,0|1,0,0]=2 118 B5R0.1 O=C(O)CCS AT21041 [1,0,0,0,0,0|1,0,0]=2 119 B5R0.1 O=C(O)\C=C/Cl H10108 [1,0,0,0,0,0|1,0,2]=4 120 B5R0.1 O=[N+]([O-])CCO AC1643 [1,0,0,0,0,0|2,0,1]=4 121 B5R0.2 C#CCCCC 75209 [1,0,0,0,0,0|1,0,2]=4 122 B5R0.2 CCCCNN F17594 [1,0,0,0,0,0|2,0,1]=4 123 B5R0.2 CCCCON H11431 [1,0,0,0,0,0|1,0,1]=3 124 B5R0.2 CCCNCC F21346 [1,0,0,0,0,0|2,0,0]=3 125 B5R0.2 CCNCCN AB11316 [1,0,0,0,0,0|3,0,0]=4 126 B5R0.2 CCNCCO 20098 [1,0,0,0,0,0|3,0,0]=4 127 B5R0.2 CCOCCCl 29431 [1,0,0,0,0,0|3,0,0]=4 128 B5R0.2 CCSCCCl D89330 [1,0,0,0,0,0|3,0,0]=4 129 B5R0.2 CCSSCC D89662 [1,0,0,0,0,0|3,0,0]=4 130 B5R0.2 CC\C=C\C#N D92033 [1,0,0,0,0,0|2,0,1]=4 131 B5R0.2 CC\C=C\C=O 11553 [1,0,0,0,0,0|2,0,1]=4 132 B5R0.2 CNCCCCl F16501 [1,0,0,0,0,0|2,0,1]=4 133 B5R0.2 CNCCCN 37144 [1,0,0,0,0,0|2,0,1]=4 134 B5R0.2 CNCCCO 36133 [1,0,0,0,0,0|2,0,1]=4 135 B5R0.2 CNCCNC 39416 [1,0,0,0,0,0|2,0,1]=4 136 B5R0.2 CNCCOC D70346 [1,0,0,0,0,0|1,0,1]=3 137 B5R0.2 CNCCSC AC2521 [1,0,0,0,0,0|1,1,1]=4 138 B5R0.2 COCCC#N D71223 [1,0,0,0,0,0|1,0,2]=4 139 B5R0.2 COCCCBr F11235 [1,0,0,0,0,0|1,0,1]=3 140 B5R0.2 COCCCCl H11766 [1,0,0,0,0,0|1,0,1]=3 141 B5R0.2 COCCCN D81053 [1,0,0,0,0,0|1,0,1]=3 142 B5R0.2 COCCNN 72234 [1,0,0,0,0,0|2,0,1]=4 143 B5R0.2 COCCOC D81126 [1,0,0,0,0,0|1,0,1]=3 144 B5R0.2 COCCOC D83907 [1,0,0,0,0,0|1,0,1]=3 145 B5R0.2 COCCOC F16635 [1,0,0,0,0,0|1,0,1]=3 146 B5R0.2 COCCON D82747 [1,0,0,0,0,0|2,0,1]=4 147 B5R0.2 CSCCCO 79218 [1,0,0,0,0,0|1,1,1]=4 148 B5R0.2 CSCCC[NH3+] D91382 [1,0,0,0,0,0|1,1,1]=4 149 B5R0.2 C\C=C/CCC D90857 [1,0,0,0,0,0|1,0,0]=2 150 B5R0.3 C#CC(=O)OC P17723 [1,0,0,0,0,0|0,0,2]=3 151 B5R0.3 C=CC(=O)NC AB9590 [1,0,0,0,0,0|1,0,2]=4 152 B5R0.3 CCC(=N)NO 22901 [1,0,0,0,0,0|3,0,0]=4 153 B5R0.3 CCC(=O)CBr F10475 [1,0,0,0,0,0|2,0,0]=3 154 B5R0.3 CCC(=O)CO C75383 [1,0,0,0,0,0|2,0,0]=3 155 B5R0.3 CCC(=O)NC D91338 [1,0,0,0,0,0|1,0,0]=2 156 B5R0.3 CCC(=O)NN 20641 [1,0,0,0,0,0|2,0,0]=3 157 B5R0.3 CCC(Br)CC H11324 [1,0,0,0,0,0|2,0,1]=4 158 B5R0.3 CCC(N)CC S12161 [1,0,0,0,0,0|2,0,1]=4 159 B5R0.3 CCN(C)CC D97580 [1,0,0,0,0,0|3,0,0]=4 160 B5R0.3 CCS(=O)CC D81870 [1,0,0,0,0,0|2,0,0]=3 161 B5R0.3 CC[C@H](C)NC D95752 [1,0,0,0,0,0|2,0,1]=4 162 B5R0.3 CNC(=O)CBr H10939 [1,0,0,0,0,0|2,0,0]=3 163 B5R0.3 CNC(=O)CCl 28994 [1,0,0,0,0,0|2,0,0]=3 164 B5R0.3 CNC(=O)CN AC1534 [1,0,0,0,0,0|2,0,0]=3 165 B5R0.3 CNC(=O)CN FD21644 [1,0,0,0,0,0|2,0,0]=3 166 B5R0.3 CNC(=O)NC P17517 [1,0,0,0,0,0|2,0,0]=3 167 B5R0.3 CNC(=O)OC 29564 [1,0,0,0,0,0|1,0,0]=2 168 B5R0.3 CNC(=S)NC D97815 [1,0,0,0,0,0|2,1,0]=4 169 B5R0.3 COC(=O)CN 20047 [1,0,0,0,0,0|1,0,0]=2 170 B5R0.3 COC(=O)CO 39413 [1,0,0,0,0,0|1,0,0]=2 171 B5R0.3 COC(=O)NN P17509 [1,0,0,0,0,0|2,0,0]=3 172 B5R0.3 COC(=O)SCl D91417 [1,0,0,0,0,0|2,0,0]=3 173 B5R0.3 CO[C@@H](C)CN 91004 [1,0,0,0,0,0|2,0,1]=4 174 B5R0.3 CO[C@@H](C)CO 29137 [1,0,0,0,0,0|2,0,1]=4 175 B5R0.3 CO[C@@H](C)CO 35966 [1,0,0,0,0,0|2,0,1]=4 176 B5R0.3 CSC(=O)SC D89996 [1,0,0,0,0,0|1,1,0]=3 177 B5R0.3 NNC(=O)CCl F15553 [1,0,0,0,0,0|3,0,0]=4 178 B5R0.3 NNC(=O)CO 71926 [1,0,0,0,0,0|3,0,0]=4 179 B5R0.3 O=C(CBr)CBr 60498 [1,0,0,0,0,0|3,0,0]=4 180 B5R0.3 O=C(CCl)CCl 73299 [1,0,0,0,0,0|3,0,0]=4 181 B5R0.3 O=C(CO)CO S12381 [1,0,0,0,0,0|3,0,0]=4 182 B7R0.2 C=CC(=O)NC(C)C D70366 [0,1,0,0,0,0|2,0,1]=4 183 B7R0.2 CC(C)NC(=O)CCl AC1584 [0,1,0,0,0,0|3,0,0]=4 184 B7R0.2 CC(C)OC(=O)CO 77517 [0,1,0,0,0,0|3,0,0]=4 185 B7R0.2 CCC(=O)CC(C)=O 24687 [0,1,0,0,0,0|1,0,1]=3 186 B7R0.2 CCC(=O)CC(C)C D90471 [0,1,0,0,0,0|1,0,0]=2 187 B7R0.2 CCC(=O)OC(C)=O 27049 [0,1,0,0,0,0|2,0,1]=4 188 B7R0.2 CCC(C)CC(C)N 40016 [0,1,0,0,0,0|2,0,1]=4 189 B7R0.2 CCC(C)CC(C)N D88161 [0,1,0,0,0,0|2,0,1]=4 190 B7R0.2 CN(C)CC(=O)NN 74122 [0,1,0,0,0,0|3,0,0]=4 191 B7R0.2 CNC(=O)NC(C)=O D88213 [0,1,0,0,0,0|2,0,1]=4 192 B7R0.2 COC(=O)C=C(C)C F11280 [0,1,0,0,0,0|0,0,2]=3 193 B7R0.2 COC(=O)CC(=O)Cl D78113 [0,1,0,0,0,0|1,0,1]=3 194 B7R0.2 COC(=O)CC(=O)O 36101 [0,1,0,0,0,0|1,0,1]=3 195 B7R0.2 COC(=O)CC(=O)[O-] 20517 [0,1,0,0,0,0|1,0,1]=3 196 B7R0.2 COC(=O)CC(C)=O D70329 [0,1,0,0,0,0|0,0,1]=2 197 B7R0.2 COC(=O)CC(C)C 79108 [0,1,0,0,0,0|0,0,0]=1 198 B7R0.2 COC(=O)CC(N)=O 36581 [0,1,0,0,0,0|1,0,1]=3 199 B7R0.2 COC(=O)CC(N)=S AC2409 [0,1,0,0,0,0|1,0,1]=3 200 B7R0.2 COC(=O)CN(C)C H10578 [0,1,0,0,0,0|1,0,0]=2 201 B7R0.2 COC(=O)C[C@H](C)Br O11908 [0,1,0,0,0,0|0,0,0]=1 202 B7R0.2 COC(=O)C[C@H](C)N 75000 [0,1,0,0,0,0|0,0,0]=1 203 B7R0.2 COC(=O)C[C@H](C)N 75001 [0,1,0,0,0,0|0,0,0]=1 204 B7R0.2 COC(=O)C[C@H](C)N F14792 [0,1,0,0,0,0|0,0,0]=1 205 B7R0.2 COC(=O)C[C@H](C)O AC7720 [0,1,0,0,0,0|0,0,0]=1 206 B7R0.2 COC(=O)C[C@H](C)O C14861 [0,1,0,0,0,0|0,0,0]=1 207 B7R0.2 COC(=O)C[C@H](C)O F15447 [0,1,0,0,0,0|0,0,0]=1 208 B7R0.2 COC(=O)C[N+](=O)[O-] 29521 [0,1,0,0,0,0|2,0,0]=3 209 B7R0.2 COC(=O)\C=C(/C)N 44431 [0,1,0,0,0,0|0,0,2]=3 210 B7R0.2 COC(=O)\C=C(\C)N 28478 [0,1,0,0,0,0|0,0,2]=3 211 B7R0.3 C=CC(=O)NCCN S10694 [0,1,0,0,0,0|2,0,1]=4 212 B7R0.3 C=CC(=O)NCCO D78367 [0,1,0,0,0,0|2,0,1]=4 213 B7R0.3 C=CC(=O)OCCO D78194 [0,1,0,0,0,0|2,0,1]=4 214 B7R0.3 C=CCOC(=O)OC H10625 [0,1,0,0,0,0|0,0,2]=3 215 B7R0.3 CCCCC(=O)CC D90783 [0,1,0,0,0,0|1,0,0]=2 216 B7R0.3 CCCCC(=O)NN 74164 [0,1,0,0,0,0|2,0,0]=3 217 B7R0.3 CCCOC(=O)OC D83836 [0,1,0,0,0,0|0,0,0]=1 218 B7R0.3 CC\C=C\C(=O)OC S12000 [0,1,0,0,0,0|0,0,1]=2 219 B7R0.3 CNCCC(=O)NC 30723 [0,1,0,0,0,0|1,0,0]=2 220 B7R0.3 CNCCC(=O)OC 32388 [0,1,0,0,0,0|0,0,0]=1 221 B7R0.3 COC(=O)CCC#N 82641 [0,1,0,0,0,0|0,0,1]=2 222 B7R0.3 COC(=O)CCC=O 63110 [0,1,0,0,0,0|0,0,1]=2 223 B7R0.3 COC(=O)CCCBr S11981 [0,1,0,0,0,0|0,0,0]=1 224 B7R0.3 COC(=O)CCCCl 28856 [0,1,0,0,0,0|0,0,0]=1 225 B7R0.3 COC(=O)CCCN 64233 [0,1,0,0,0,0|0,0,0]=1 226 B7R0.3 COC(=O)CN=[N+]=[N-] V10130 [0,1,0,0,0,0|2,0,0]=3 227 B7R0.3 COC(=O)CNC=O C10698 [0,1,0,0,0,0|1,0,1]=3 228 B7R0.3 COC(=O)\C=C\CBr F11439 [0,1,0,0,0,0|0,0,2]=3 229 B7R0.3 COC(=O)\C=C\CBr O11933 [0,1,0,0,0,0|0,0,2]=3 230 B7R0.3 CO\C=C\C(=O)OC D73879 [0,1,0,0,0,0|0,0,2]=3 231 B7R0.3 CO\C=C\C(=O)OC O11915 [0,1,0,0,0,0|0,0,2]=3 232 B7R0.5 C=C(Br)C(=O)OCC AB9222 [0,1,0,0,0,0|2,0,1]=4 233 B7R0.5 CC(C)C(=O)CC#N 28992 [0,1,0,0,0,0|2,0,1]=4 234 B7R0.5 CC(C)C(=O)OCBr D94295 [0,1,0,0,0,0|3,0,0]=4 235 B7R0.5 CC(C)C(=O)OCCl P11842 [0,1,0,0,0,0|3,0,0]=4 236 B7R0.5 CCCC(=O)C(C)C D91358 [0,1,0,0,0,0|1,0,0]=2 237 B7R0.5 CCOC(=O)C(=O)O C75898 [0,1,0,0,0,0|3,0,0]=4 238 B7R0.5 CCOC(=O)C(=O)[O-] D90598 [0,1,0,0,0,0|3,0,0]=4 239 B7R0.5 CCOC(=O)C(C)=O D72526 [0,1,0,0,0,0|2,0,0]=3 240 B7R0.5 CCOC(=O)C(F)F FD2077 [0,1,0,0,0,0|3,0,0]=4 241 B7R0.5 CCOC(=O)C(N)=O C13633 [0,1,0,0,0,0|3,0,0]=4 242 B7R0.5 CCOC(=O)C(N)=S 35744 [0,1,0,0,0,0|3,0,0]=4 243 B7R0.5 CCOC(=O)N(C)C A10839 [0,1,0,0,0,0|2,0,0]=3 244 B7R0.5 CCOC(=O)[C@@H](F)Br 76577 [0,1,0,0,0,0|3,0,0]=4 245 B7R0.5 CCOC(=O)[C@@H](F)Cl 76578 [0,1,0,0,0,0|3,0,0]=4 246 B7R0.5 CCOC(=O)[C@H](C)Br D96513 [0,1,0,0,0,0|2,0,0]=3 247 B7R0.5 CCOC(=O)[C@H](C)F 28664 [0,1,0,0,0,0|2,0,0]=3 248 B7R0.5 CCOC(=O)[C@H](C)F AT11657 [0,1,0,0,0,0|2,0,0]=3 249 B7R0.5 CCOC(=O)[C@H](C)I D90599 [0,1,0,0,0,0|2,0,0]=3 250 B7R0.5 CCOC(=O)[C@H](C)N 75100 [0,1,0,0,0,0|2,0,0]=3 251 B7R0.5 CCOC(=O)[C@H](C)N FD21011 [0,1,0,0,0,0|2,0,0]=3 252 B7R0.5 CCOC(=O)[C@H](C)N FD21071 [0,1,0,0,0,0|2,0,0]=3 253 B7R0.5 CCOC(=O)[C@H](C)O 35087 [0,1,0,0,0,0|2,0,0]=3 254 B7R0.5 CCOC(=O)[C@H](C)S D81899 [0,1,0,0,0,0|2,0,0]=3 255 B7R0.5 CN(C)C(=O)CC#N C11338 [0,1,0,0,0,0|2,0,1]=4 256 B7R0.5 CNCC(=O)N(C)C C77998 [0,1,0,0,0,0|2,0,0]=3 257 B7R0.7 C=CCC(=O)OCC 74919 [0,1,0,0,0,0|0,0,2]=3 258 B7R0.7 CC#CC(=O)OCC 33793 [0,1,0,0,0,0|0,0,2]=3 259 B7R0.7 CCCC(=O)OCCl F20378 [0,1,0,0,0,0|0,0,0]=1 260 B7R0.7 CCCC(N)CCC 28065 [0,1,0,0,0,0|2,0,1]=4 261 B7R0.7 CCCC(O)CCC H10221 [0,1,0,0,0,0|1,0,2]=4 262 B7R0.7 CCCN(C)CCC D95729 [0,1,0,0,0,0|3,0,0]=4 263 B7R0.7 CCC[C@H](C)CCO T71716 [0,1,0,0,0,0|2,0,1]=4 264 B7R0.7 CCC[C@H](S)CCO D84193 [0,1,0,0,0,0|1,1,1]=4 265 B7R0.7 CCNC(=O)CC#N S10551 [0,1,0,0,0,0|2,0,1]=4 266 B7R0.7 CCNC(=O)NCC F11262 [0,1,0,0,0,0|2,0,0]=3 267 B7R0.7 CCOC(=O)CCBr F11254 [0,1,0,0,0,0|1,0,0]=2 268 B7R0.7 CCOC(=O)CCCl D89381 [0,1,0,0,0,0|1,0,0]=2 269 B7R0.7 CCOC(=O)CCI 23721 [0,1,0,0,0,0|1,0,0]=2 270 B7R0.7 CCOC(=O)CCN AC7506 [0,1,0,0,0,0|1,0,0]=2 271 B7R0.7 CCOC(=O)CCO 30936 [0,1,0,0,0,0|1,0,0]=2 272 B7R0.7 CCOC(=O)CCS D87716 [0,1,0,0,0,0|1,0,0]=2 273 B7R0.7 CCOC(=O)CNC 73271 [0,1,0,0,0,0|1,0,0]=2 274 B7R0.7 CCOC(=O)CNN 35068 [0,1,0,0,0,0|2,0,0]=3 275 B7R0.7 CCOC(=O)COC F11239 [0,1,0,0,0,0|1,0,0]=2 276 B7R0.7 CCOC(=O)CSC I10203 [0,1,0,0,0,0|1,0,0]=2 277 B7R0.7 CCOC(=O)OCC D97668 [0,1,0,0,0,0|1,0,0]=2 278 B7R0.7 CCOC(=O)OCCl 23781 [0,1,0,0,0,0|1,0,0]=2 279 B7R0.7 CCOC(=O)\C=C/Br T70763 [0,1,0,0,0,0|1,0,2]=4 280 B7R0.7 CCOC(=O)\C=C/I D81841 [0,1,0,0,0,0|1,0,2]=4 281 B7R0.7 CCOC(=O)\C=C\I 72163 [0,1,0,0,0,0|1,0,2]=4 282 B7R0.7 CCOC(=O)\C=C\[O-] P20682 [0,1,0,0,0,0|1,0,2]=4 283 B7R0.7 CCOP(Cl)OCC H10781 [0,1,0,0,0,0|3,0,0]=4 284 B7R0.7 CCO[PH](=O)OCC 28436 [0,1,0,0,0,0|2,0,0]=3 285 B7R0.7 COCC(N)COC 25069 [0,1,0,0,0,0|2,0,1]=4 286 B7R0.7 COCC(O)COC 20633 [0,1,0,0,0,0|1,0,2]=4 287 B7R0.7 O=C(CCCl)CCCl 35039 [0,1,0,0,0,0|2,0,0]=3 288 B7R0.7 O=C(NCO)NCO H11231 [0,1,0,0,0,0|3,0,0]=4 289 B7R0.7 [C-]#[N+]CC(=O)OCC 23174 [0,1,0,0,0,0|1,0,1]=3 290 B7R0.10 C=C(CBr)C(=O)OC 35784 [0,1,0,0,0,0|1,0,1]=3 291 B7R0.10 C=C(CO)C(=O)OC 35969 [0,1,0,0,0,0|1,0,1]=3 292 B7R0.10 CCC(=O)C(=O)CC D90906 [0,1,0,0,0,0|1,0,1]=3 293 B7R0.10 CCC(=O)C(=O)OC F16310 [0,1,0,0,0,0|0,0,1]=2 294 B7R0.10 CCC(=O)N(C)OC AR3350 [0,1,0,0,0,0|2,0,1]=4 295 B7R0.10 CCC(=O)[C@@H](O)CC D92050 [0,1,0,0,0,0|1,0,0]=2 296 B7R0.10 CC[C@H](Br)C(=O)OC H11989 [0,1,0,0,0,0|0,0,0]=1 297 B7R0.10 CC[C@H](N)C(=O)OC 63264 [0,1,0,0,0,0|0,0,0]=1 298 B7R0.10 CC[C@H](N)C(=O)OC F11947 [0,1,0,0,0,0|0,0,0]=1 299 B7R0.10 CC[C@H](N)C(=O)OC H10859 [0,1,0,0,0,0|0,0,0]=1 300 B7R0.10 CC[C@H](O)C(=O)OC D94650 [0,1,0,0,0,0|0,0,0]=1 301 B7R0.10 CNC(=O)C(=O)NC D95690 [0,1,0,0,0,0|2,0,1]=4 302 B7R0.10 CN[C@@H](C)C(=O)OC D84599 [0,1,0,0,0,0|1,0,0]=2 303 B7R0.10 CN[C@@H](C)C(=O)OC FD21060 [0,1,0,0,0,0|1,0,0]=2 304 B7R0.10 COC(=O)C(=O)CBr O11905 [0,1,0,0,0,0|1,0,1]=3 305 B7R0.10 COC(=O)[C@@H](Br)CBr AB2902 [0,1,0,0,0,0|1,0,0]=2 306 B7R0.10 COC(=O)[C@@H](Br)CO D84458 [0,1,0,0,0,0|1,0,0]=2 307 B7R0.10 COC(=O)[C@@H](C)CBr D70325 [0,1,0,0,0,0|1,0,0]=2 308 B7R0.10 COC(=O)[C@@H](C)CN E72583 [0,1,0,0,0,0|1,0,0]=2 309 B7R0.10 COC(=O)[C@@H](C)CO F12962 [0,1,0,0,0,0|1,0,0]=2 310 B7R0.10 COC(=O)[C@@H](C)CO TD8064 [0,1,0,0,0,0|1,0,0]=2 311 B7R0.10 COC(=O)[C@@H](F)CO 36756 [0,1,0,0,0,0|1,0,0]=2 312 B7R0.10 COC(=O)[C@@H](N)CCl FD3091 [0,1,0,0,0,0|1,0,0]=2 313 B7R0.10 COC(=O)[C@@H](N)CCl O11861 [0,1,0,0,0,0|1,0,0]=2 314 B7R0.10 COC(=O)[C@@H](N)CN D83300 [0,1,0,0,0,0|1,0,0]=2 315 B7R0.10 COC(=O)[C@@H](N)CO 20054 [0,1,0,0,0,0|1,0,0]=2 316 B7R0.10 COC(=O)[C@@H](N)CO 20056 [0,1,0,0,0,0|1,0,0]=2 317 B7R0.10 COC(=O)[C@@H](N)CO 39397 [0,1,0,0,0,0|1,0,0]=2 318 B7R0.10 COC(=O)[C@@H](N)CO AB7436 [0,1,0,0,0,0|1,0,0]=2 319 B7R0.10 COC(=O)[C@@H](N)CS 27842 [0,1,0,0,0,0|1,0,0]=2 320 B7R0.10 COC(=O)[C@@H](N)CS FD21234 [0,1,0,0,0,0|1,0,0]=2 321 B7R0.10 COC(=O)[C@@H](N)CS H10905 [0,1,0,0,0,0|1,0,0]=2 322 B7R0.10 COC(=O)[C@@H](O)CO 24991 [0,1,0,0,0,0|1,0,0]=2 323 B7R0.10 COC(=O)[C@H](C)OC AT18834 [0,1,0,0,0,0|1,0,0]=2 324 B7R0.10 C\C=C(/Br)C(=O)OC 69499 [0,1,0,0,0,0|0,0,2]=3 325 B7R0.10 NNC(=O)[C@@H](N)CO F10936 [0,1,0,0,0,0|3,0,0]=4 326 B7R0.11 CCS(=O)(=O)CCCl 71330 [0,1,0,0,0,0|3,0,0]=4 327 B7R0.12 CNCC(OC)OC 67627 [0,1,0,0,0,0|1,0,2]=4 328 B7R0.12 COC(CCBr)OC 28799 [0,1,0,0,0,0|1,0,2]=4 329 B7R0.12 COC(CSC)OC F15987 [0,1,0,0,0,0|1,0,2]=4 330 B7R0.12 COCC(OC)OC A10903 [0,1,0,0,0,0|1,0,2]=4 331 B7R1.1 CCN1CCCC1 F17079 [0,0,0,1,0,0|3,0,0]=4 332 B7R1.1 CNC1CCCC1 F20064 [0,0,0,1,0,0|2,0,1]=4 333 B7R1.1 COC1=NCCC1 O11464 [0,0,0,1,0,0|1,0,0]=2 334 B7R1.1 COC1OCCO1 D78408 [0,0,0,1,0,0|1,0,2]=4 335 B7R1.1 CO[C@H]1CCNC1 27715 [0,0,0,1,0,0|2,0,1]=4 336 B7R1.1 CO[C@H]1CCNC1 63946 [0,0,0,1,0,0|2,0,1]=4 337 B7R1.1 CO[C@H]1CCNC1 63947 [0,0,0,1,0,0|2,0,1]=4 338 B7R1.1 CO[C@H]1CCNC1 P10861 [0,0,0,1,0,0|2,0,1]=4 339 B7R1.1 CSC1=NCCN1 D83700 [0,0,0,1,0,0|2,1,0]=4 340 B7R1.1 CSC1=NCCN1 D94694 [0,0,0,1,0,0|2,1,0]=4 341 B7R1.1 CSC1=NCCS1 D91471 [0,0,0,1,0,0|1,2,0]=4 342 B7R1.1 ON=C1CCCC1 FD9020 [0,0,0,1,0,0|3,0,0]=4 343 B7R1.2 CC1=CC(=O)CC1 H10654 [0,0,0,1,0,0|1,0,2]=4 344 B7R1.2 CC1=NNC(=O)C1 AC8022 [0,0,0,1,0,0|2,0,1]=4 345 B7R1.2 CC1COS(=O)O1 D91602 [0,0,0,1,0,0|2,0,0]=3 346 B7R1.2 C[C@@H]1CNC(=O)C1 P10078 [0,0,0,1,0,0|1,0,0]=2 347 B7R1.2 C[C@H]1CCC(=O)C1 F10505 [0,0,0,1,0,0|1,0,0]=2 348 B7R1.2 C[C@H]1CCC(=O)N1 D72848 [0,0,0,1,0,0|2,0,0]=3 349 B7R1.2 C[C@H]1CCC(=O)O1 P20539 [0,0,0,1,0,0|2,0,0]=3 350 B7R1.2 C[C@H]1COC(=O)O1 28658 [0,0,0,1,0,0|1,0,0]=2 351 B7R1.2 N[C@@H]1CNC(=O)C1 38799 [0,0,0,1,0,0|2,0,0]=3 352 B7R1.2 N[C@@H]1CNC(=O)C1 SC5061 [0,0,0,1,0,0|2,0,0]=3 353 B7R1.2 N[C@@H]1COC(=O)C1 FD1172 [0,0,0,1,0,0|1,0,0]=2 354 B7R1.2 O=C1C=C[C@@H](O)C1 11013 [0,0,0,1,0,0|2,0,1]=4 355 B7R1.2 O=C1CCC(=O)C1 23085 [0,0,0,1,0,0|2,0,1]=4 356 B7R1.2 O=C1COC(=O)C1 T72521 [0,0,0,1,0,0|1,0,1]=3 357 B7R1.2 O=C1C[C@H](O)CN1 26280 [0,0,0,1,0,0|2,0,0]=3 358 B7R1.2 O=C1C[C@H](O)CN1 62393 [0,0,0,1,0,0|2,0,0]=3 359 B7R1.2 O=C1C[C@H](O)CN1 62394 [0,0,0,1,0,0|2,0,0]=3 360 B7R1.2 O=C1C[C@H](O)CO1 H11711 [0,0,0,1,0,0|1,0,0]=2 361 B7R1.2 O=C1OC[C@H](Cl)O1 C13865 [0,0,0,1,0,0|2,0,0]=3 362 B7R1.2 O=C1OC[C@H](F)O1 FD2018 [0,0,0,1,0,0|2,0,0]=3 363 B7R1.3 BrC1=CCCCC1 N12373 [0,0,0,1,0,0|2,0,0]=3 364 B7R1.3 BrC1CCCCC1 P19773 [0,0,0,1,0,0|2,0,1]=4 365 B7R1.3 CC1=CCCCC1 H10759 [0,0,0,1,0,0|2,0,0]=3 366 B7R1.3 CC1=CCCNC1 39250 [0,0,0,1,0,0|3,0,0]=4 367 B7R1.3 CC1=CCNCC1 39249 [0,0,0,1,0,0|3,0,0]=4 368 B7R1.3 C[C@H]1CCCCN1 64251 [0,0,0,1,0,0|2,0,1]=4 369 B7R1.3 C[C@H]1CCCCN1 64253 [0,0,0,1,0,0|2,0,1]=4 370 B7R1.3 C[C@H]1CNCCO1 27675 [0,0,0,1,0,0|2,0,1]=4 371 B7R1.3 C[C@H]1CNCCO1 F13092 [0,0,0,1,0,0|2,0,1]=4 372 B7R1.3 IC1CCCCC1 F20359 [0,0,0,1,0,0|2,0,1]=4 373 B7R1.3 NN1CCCCC1 77856 [0,0,0,1,0,0|3,0,0]=4 374 B7R1.3 NN1CCCCC1 78303 [0,0,0,1,0,0|3,0,0]=4 375 B7R1.3 O=C1C=CCCO1 71011 [0,0,0,1,0,0|0,0,2]=3 376 B7R1.3 O=C1CCCCN1 F10312 [0,0,0,1,0,0|1,0,0]=2 377 B7R1.3 O=C1CCCCO1 20506 [0,0,0,1,0,0|0,0,0]=1 378 B7R1.3 O=C1CCCNC1 36189 [0,0,0,1,0,0|2,0,0]=3 379 B7R1.3 O=C1CCCNC1 65124 [0,0,0,1,0,0|2,0,0]=3 380 B7R1.3 O=C1CCCOC1 67990 [0,0,0,1,0,0|2,0,0]=3 381 B7R1.3 O=C1CCCSC1 38182 [0,0,0,1,0,0|2,0,0]=3 382 B7R1.3 O=C1CCNCC1 AB2978 [0,0,0,1,0,0|2,0,0]=3 383 B7R1.3 O=C1CCNCC1 AB7716 [0,0,0,1,0,0|2,0,0]=3 384 B7R1.3 O=C1CCOCC1 28100 [0,0,0,1,0,0|2,0,0]=3 385 B7R1.3 O=C1CCSCC1 34742 [0,0,0,1,0,0|2,0,0]=3 386 B7R1.3 O=C1CNCCN1 65258 [0,0,0,1,0,0|2,0,0]=3 387 B7R1.3 O=C1COCCN1 35814 [0,0,0,1,0,0|2,0,0]=3 388 B7R1.3 O=C1COCCO1 39291 [0,0,0,1,0,0|1,0,0]=2 389 B7R1.3 O=C1NCCCN1 F14817 [0,0,0,1,0,0|2,0,0]=3 390 B7R1.3 O=C1NCCCO1 30441 [0,0,0,1,0,0|1,0,0]=2 391 B7R1.3 O=C1OCCCO1 F20507 [0,0,0,1,0,0|1,0,0]=2 392 B7R1.3 O=S1CCNCC1 C10519 [0,0,0,1,0,0|3,0,0]=4 393 B7R1.3 O=S1OCCCO1 D90284 [0,0,0,1,0,0|2,0,0]=3 394 B7R1.3 ON1CCCCC1 65654 [0,0,0,1,0,0|2,0,1]=4 395 B7R1.3 O[C@@H]1CCCCO1 F19855 [0,0,0,1,0,0|0,0,2]=3 396 B7R1.3 S=C1NCCCN1 D97545 [0,0,0,1,0,0|2,1,0]=4 397 B7R1.4 C=C1CCOC1=O FD18014 [0,0,0,1,0,0|2,0,1]=4 398 B7R1.4 CN1CCCC1=O D78116 [0,0,0,1,0,0|1,0,0]=2 399 B7R1.4 CN1CCCC1=S F16372 [0,0,0,1,0,0|1,1,0]=3 400 B7R1.4 CN1CCOC1=O 70761 [0,0,0,1,0,0|2,0,0]=3 401 B7R1.4 CN1N=CCC1=O O10424 [0,0,0,1,0,0|2,0,1]=4 402 B7R1.4 C[C@@H]1OCCC1=O O10840 [0,0,0,1,0,0|2,0,0]=3 403 B7R1.4 C[C@@H]1SCCC1=O AC7518 [0,0,0,1,0,0|2,0,0]=3 404 B7R1.4 C[C@H]1CCCC1=O 29606 [0,0,0,1,0,0|1,0,0]=2 405 B7R1.4 C[C@H]1CCOC1=O D70164 [0,0,0,1,0,0|2,0,0]=3 406 B7R1.4 NN1CCCC1=O 67417 [0,0,0,1,0,0|2,0,0]=3 407 B7R1.4 N[C@H]1CCNC1=O 51275 [0,0,0,1,0,0|3,0,0]=4 408 B7R1.4 N[C@H]1CCNC1=O F31053 [0,0,0,1,0,0|3,0,0]=4 409 B7R1.4 N[C@H]1CCOC1=O 28853 [0,0,0,1,0,0|3,0,0]=4 410 B7R1.4 N[C@H]1CCOC1=O F14759 [0,0,0,1,0,0|3,0,0]=4 411 B7R1.4 N[C@H]1CCOC1=O FD1139 [0,0,0,1,0,0|3,0,0]=4 412 B7R1.4 N[C@H]1CCOC1=O FD1142 [0,0,0,1,0,0|3,0,0]=4 413 B7R1.4 N[C@H]1CCOC1=O W12226 [0,0,0,1,0,0|3,0,0]=4 414 B7R1.4 N[C@H]1CCSC1=O F17227 [0,0,0,1,0,0|3,0,0]=4 415 B7R1.4 O=C1CCC=C1Br D82390 [0,0,0,1,0,0|2,0,1]=4 416 B7R1.4 O=C1CCC=C1O 25221 [0,0,0,1,0,0|2,0,1]=4 417 B7R1.4 O=C1CCC[C@@H]1Cl F10995 [0,0,0,1,0,0|2,0,0]=3 418 B7R1.4 O=C1NCC[C@@H]1O 25307 [0,0,0,1,0,0|3,0,0]=4 419 B7R1.4 O=C1NCC[C@@H]1O 27245 [0,0,0,1,0,0|3,0,0]=4 420 B7R1.4 O=C1NCC[C@@H]1O 68731 [0,0,0,1,0,0|3,0,0]=4 421 B7R1.4 O=C1OCC[C@@H]1Br H10671 [0,0,0,1,0,0|3,0,0]=4 422 B7R1.4 O=C1OCC[C@@H]1O A12215 [0,0,0,1,0,0|3,0,0]=4 423 B7R1.4 O=C1OCC[C@@H]1O T72635 [0,0,0,1,0,0|3,0,0]=4 424 B7R1.22 CC[C@H](N)C1CC1 P15918 [0,0,0,1,0,0|2,0,1]=4 425 B7R1.22 CC[C@H](O)C1CC1 P15300 [0,0,0,1,0,0|1,0,2]=4 426 B7R1.22 COC(=O)C1CC1 D78080 [0,0,0,1,0,0|0,0,0]=1 427 B7R1.22 COC(=O)[C@@H]1CN1 63227 [0,0,0,1,0,0|1,0,0]=2 428 B7R1.22 COC(=O)[C@@H]1CO1 A11057 [0,0,0,1,0,0|1,0,0]=2 429 B7R1.22 COC(=O)[C@@H]1CO1 AC2359 [0,0,0,1,0,0|1,0,0]=2 430 B7R1.22 COC(=O)[C@@H]1CO1 H11420 [0,0,0,1,0,0|1,0,0]=2 431 B7R1.22 NNC(=O)C1CC1 37331 [0,0,0,1,0,0|2,0,0]=3 432 B7R1.22 N\C(=N/O)C1CC1 31323 [0,0,0,1,0,0|3,0,0]=4 433 B7R1.22 O=C(CBr)C1CC1 28934 [0,0,0,1,0,0|2,0,0]=3 434 B7R1.25 CCC1(N)CCC1 D79212 [0,0,0,1,0,0|2,0,1]=4 435 B7R1.25 COC1(C)CNC1 37157 [0,0,0,1,0,0|2,0,1]=4 436 B4R0.1 C#CC(=O)O F10329 [2,0,0,0,0,0|0,0,2]=4 437 B4R0.1 C#CC(C)=O F52495 [2,0,0,0,0,0|0,0,2]=4 438 B4R0.1 C=C(C)CBr 29319 [2,0,0,0,0,0|2,0,0]=4 439 B4R0.1 C=C(C)CN 29496 [2,0,0,0,0,0|2,0,0]=4 440 B4R0.1 C=C(C)CO H10780 [2,0,0,0,0,0|2,0,0]=4 441 B4R0.1 CC(=O)CBr 76485 [2,0,0,0,0,0|1,0,0]=3 442 B4R0.1 CC(=O)CN 24448 [2,0,0,0,0,0|1,0,0]=3 443 B4R0.1 CC(=O)NBr 70825 [2,0,0,0,0,0|2,0,0]=4 444 B4R0.1 CC(=O)NN AB6005 [2,0,0,0,0,0|2,0,0]=4 445 B4R0.1 CC(=O)NO 78370 [2,0,0,0,0,0|2,0,0]=4 446 B4R0.1 CCB(O)O 33051 [2,0,0,0,0,0|1,0,1]=4 447 B4R0.1 CCC(=N)N 65202 [2,0,0,0,0,0|2,0,0]=4 448 B4R0.1 CCC(N)=O O12053 [2,0,0,0,0,0|1,0,0]=3 449 B4R0.1 CCC(N)=S AT14776 [2,0,0,0,0,0|1,1,0]=4 450 B4R0.1 CC[C@H](C)O 70716 [2,0,0,0,0,0|0,0,2]=4 451 B4R0.1 CC[C@H](C)O 70832 [2,0,0,0,0,0|0,0,2]=4 452 B4R0.1 CC[S@](=O)[O-] F16489 [2,0,0,0,0,0|1,0,1]=4 453 B4R0.1 CNC(=O)Cl D81983 [2,0,0,0,0,0|2,0,0]=4 454 B4R0.1 CNC(N)=O AC8061 [2,0,0,0,0,0|2,0,0]=4 455 B4R0.1 COC(=N)N F11253 [2,0,0,0,0,0|2,0,0]=4 456 B4R0.1 COC(=N)N F14927 [2,0,0,0,0,0|2,0,0]=4 457 B4R0.1 COC(=N)N I11503 [2,0,0,0,0,0|2,0,0]=4 458 B4R0.1 COC(N)=O D86342 [2,0,0,0,0,0|1,0,0]=3 459 B4R0.1 CSC(C)=O D82067 [2,0,0,0,0,0|0,1,0]=3 460 B4R0.1 NC(=O)CBr 35276 [2,0,0,0,0,0|2,0,0]=4 461 B4R0.1 NC(=O)CI 25452 [2,0,0,0,0,0|2,0,0]=4 462 B4R0.1 NC(=O)CO D77798 [2,0,0,0,0,0|2,0,0]=4 463 B4R0.1 NCC(=O)O D70890 [2,0,0,0,0,0|1,0,0]=3 464 B4R0.1 NCC(=O)O F21278 [2,0,0,0,0,0|1,0,0]=3 465 B4R0.1 NCC(=O)[O-] D70403 [2,0,0,0,0,0|1,0,1]=4 466 B4R0.1 NCC(=O)[O-] D77927 [2,0,0,0,0,0|1,0,1]=4 467 B4R0.1 NCC(=O)[O-] D84274 [2,0,0,0,0,0|1,0,1]=4 468 B4R0.1 NCC(=O)[O-] D95398 [2,0,0,0,0,0|1,0,1]=4 469 B4R0.1 NCC(N)=O 20652 [2,0,0,0,0,0|2,0,0]=4 470 B4R0.1 NCC(N)=O 58529 [2,0,0,0,0,0|2,0,0]=4 471 B4R0.1 O=C(Cl)CBr D87897 [2,0,0,0,0,0|2,0,0]=4 472 B4R0.1 O=C(O)CO D78078 [2,0,0,0,0,0|1,0,0]=3 473 B4R0.1 O=CC(=O)O D70821 [2,0,0,0,0,0|1,0,1]=4 474 B4R0.1 O=CC(=O)O F14188 [2,0,0,0,0,0|1,0,1]=4 475 B4R0.2 C#CCOC AT19953 [2,0,0,0,0,0|0,0,2]=4 476 B4R0.2 C=CCCBr D78125 [2,0,0,0,0,0|1,0,1]=4 477 B4R0.2 C=CCCC FD10489 [2,0,0,0,0,0|0,0,1]=3 478 B4R0.2 C=CCCCl 43989 [2,0,0,0,0,0|1,0,1]=4 479 B4R0.2 C=CCCN 68196 [2,0,0,0,0,0|1,0,1]=4 480 B4R0.2 C=CCCO P16638 [2,0,0,0,0,0|1,0,1]=4 481 B4R0.2 C=CCNC F21270 [2,0,0,0,0,0|1,0,1]=4 482 B4R0.2 C=CCOC D88491 [2,0,0,0,0,0|0,0,2]=4 483 B4R0.2 C=CCSC D88380 [2,0,0,0,0,0|1,0,1]=4 484 B4R0.2 C=COCC P19610 [2,0,0,0,0,0|1,0,1]=4 485 B4R0.2 CCCNC A10770 [2,0,0,0,0,0|1,0,0]=3 486 B4R0.2 CCCNN C10870 [2,0,0,0,0,0|2,0,0]=4 487 B4R0.2 CCNC=O F19558 [2,0,0,0,0,0|1,0,0]=3 488 B4R0.2 CCNCC D78025 [2,0,0,0,0,0|1,0,1]=4 489 B4R0.2 CCNCC D89842 [2,0,0,0,0,0|1,0,1]=4 490 B4R0.2 CCNCC D90318 [2,0,0,0,0,0|1,0,1]=4 491 B4R0.2 CCNOC D80678 [2,0,0,0,0,0|1,0,0]=3 492 B4R0.2 CNCCBr F13405 [2,0,0,0,0,0|2,0,0]=4 493 B4R0.2 CNCCCl 71064 [2,0,0,0,0,0|2,0,0]=4 494 B4R0.2 CNCCN D76853 [2,0,0,0,0,0|2,0,0]=4 495 B4R0.2 CNCCN SC1801 [2,0,0,0,0,0|2,0,0]=4 496 B4R0.2 COCC#N 35354 [2,0,0,0,0,0|1,0,1]=4 497 B4R0.2 COCCBr P19803 [2,0,0,0,0,0|1,0,0]=3 498 B4R0.2 COCCN F14847 [2,0,0,0,0,0|1,0,0]=3 499 B4R0.2 CSCCBr 79497 [2,0,0,0,0,0|1,1,0]=4 500 B4R0.2 CSCCO 28828 [2,0,0,0,0,0|1,0,1]=4 501 B4R0.2 CSCSC D88765 [2,0,0,0,0,0|1,1,0]=4 502 B4R0.2 C\C=C/CC D91891 [2,0,0,0,0,0|0,0,1]=3 503 B4R0.2 C\C=C\OC 28751 [2,0,0,0,0,0|0,0,1]=3 504 B4R0.2 NCCCO D77871 [2,0,0,0,0,0|1,0,1]=4 505 B4R0.2 NCCON SC1781 [2,0,0,0,0,0|2,0,0]=4 506 B4R0.2 NOCCO 32348 [2,0,0,0,0,0|2,0,0]=4 507 B4R0.2 OCCCBr 36754 [2,0,0,0,0,0|1,0,1]=4 508 B4R0.2 OCCCF 61100 [2,0,0,0,0,0|1,0,1]=4 509 B4R0.2 OCCCI 75858 [2,0,0,0,0,0|1,0,1]=4 510 B6R0.2 CC(=O)NC(C)=O D97387 [1,1,0,0,0,0|1,0,1]=4 511 B6R0.2 CC(=O)NC(C)C N12028 [1,1,0,0,0,0|1,0,0]=3 512 B6R0.2 CC(=O)O[C@H](C)Br 39292 [1,1,0,0,0,0|1,0,0]=3 513 B6R0.2 CC(=O)SC(C)=O T70772 [1,1,0,0,0,0|1,0,1]=4 514 B6R0.2 CC(=O)[CH-]C(C)=O D78375 [1,1,0,0,0,0|0,0,2]=4 515 B6R0.2 CC(=O)[CH-]C(C)=O D82020 [1,1,0,0,0,0|0,0,2]=4 516 B6R0.2 CC(=O)[CH-]C(C)=O D82093 [1,1,0,0,0,0|0,0,2]=4 517 B6R0.2 CC(=O)[CH-]C(C)=O D82100 [1,1,0,0,0,0|0,0,2]=4 518 B6R0.2 CC(=O)[CH-]C(C)=O D88949 [1,1,0,0,0,0|0,0,2]=4 519 B6R0.2 CC(=O)\C=C(/C)[O-] E70001 [1,1,0,0,0,0|0,0,2]=4 520 B6R0.2 CC(=O)\C=C(\C)N A11050 [1,1,0,0,0,0|0,0,2]=4 521 B6R0.2 CC(=O)\C=C(\C)[O-] AC1284 [1,1,0,0,0,0|0,0,2]=4 522 B6R0.2 CC(=O)\C=C(\C)[O-] D70887 [1,1,0,0,0,0|0,0,2]=4 523 B6R0.2 CC(=O)\C=C(\C)[O-] D80380 [1,1,0,0,0,0|0,0,2]=4 524 B6R0.2 CC(=O)\C=C(\C)[O-] D91066 [1,1,0,0,0,0|0,0,2]=4 525 B6R0.2 CC(=O)\C=C(\C)[O-] D92375 [1,1,0,0,0,0|0,0,2]=4 526 B6R0.2 CC(=O)\C=C(\C)[O-] H10683 [1,1,0,0,0,0|0,0,2]=4 527 B6R0.2 CC(=O)\C=C(\C)[O-] H10696 [1,1,0,0,0,0|0,0,2]=4 528 B6R0.2 CC(=O)\C=C(\C)[O-] H11255 [1,1,0,0,0,0|0,0,2]=4 529 B6R0.2 CC(=O)\C=C(\C)[O-] H11309 [1,1,0,0,0,0|0,0,2]=4 530 B6R0.2 CC(=O)\C=C(\C)[O-] T70257 [1,1,0,0,0,0|0,0,2]=4 531 B6R0.2 CC(C)=CC(=O)O D78089 [1,1,0,0,0,0|0,0,2]=4 532 B6R0.2 CC(C)CB(O)O 33194 [1,1,0,0,0,0|1,0,1]=4 533 B6R0.2 CC(C)CC(=O)O D78213 [1,1,0,0,0,0|0,0,0]=2 534 B6R0.2 CC(C)C[C@H](C)N 40017 [1,1,0,0,0,0|1,0,1]=4 535 B6R0.2 CC(C)OC(N)=O D81825 [1,1,0,0,0,0|2,0,0]=4 536 B6R0.2 CC(O)CC(C)O D91996 [1,1,0,0,0,0|0,0,2]=4 537 B6R0.2 CN(C)CC(=O)Cl A50815 [1,1,0,0,0,0|2,0,0]=4 538 B6R0.2 CN(C)CC(=O)O 28781 [1,1,0,0,0,0|1,0,0]=3 539 B6R0.2 CN(C)CC(=O)O 73674 [1,1,0,0,0,0|1,0,0]=3 540 B6R0.2 C[C@H](Cl)CC(=O)Cl AC1766 [1,1,0,0,0,0|1,0,0]=3 541 B6R0.2 C[C@H](Cl)CC(=O)O D89206 [1,1,0,0,0,0|0,0,0]=2 542 B6R0.2 C[C@H](Cl)OC(=O)Cl D78332 [1,1,0,0,0,0|2,0,0]=4 543 B6R0.2 C[C@H](N)CC(=O)O 62356 [1,1,0,0,0,0|0,0,0]=2 544 B6R0.2 C[C@H](N)CC(=O)O 62357 [1,1,0,0,0,0|0,0,0]=2 545 B6R0.2 C[C@H](N)CC(=O)O 62358 [1,1,0,0,0,0|0,0,0]=2 546 B6R0.2 C[C@H](N)CC(=O)O 62359 [1,1,0,0,0,0|0,0,0]=2 547 B6R0.2 C[C@H](N)CC(=O)O 62363 [1,1,0,0,0,0|0,0,0]=2 548 B6R0.2 C[C@H](N)CN(C)C 76719 [1,1,0,0,0,0|2,0,0]=4 549 B6R0.2 C[C@H](O)CC(=O)O D84191 [1,1,0,0,0,0|0,0,0]=2 550 B6R0.2 C[C@H](O)CC(=O)O O10175 [1,1,0,0,0,0|0,0,0]=2 551 B6R0.2 C[C@H](O)CC(=O)[O-] 23392 [1,1,0,0,0,0|0,0,1]=3 552 B6R0.2 C[C@H](O)CC(=O)[O-] H10236 [1,1,0,0,0,0|0,0,1]=3 553 B6R0.2 C[C@H](O)CN(C)C D93027 [1,1,0,0,0,0|2,0,0]=4 554 B6R0.2 C[C@H](O)C[C@H](C)O 73920 [1,1,0,0,0,0|0,0,2]=4 555 B6R0.2 C[C@H](O)C[C@H](C)O D74604 [1,1,0,0,0,0|0,0,2]=4 556 B6R0.2 C[C@H](O)C[C@H](C)O T72451 [1,1,0,0,0,0|0,0,2]=4 557 B6R0.2 O=C(O)CC(=O)O AC8295 [1,1,0,0,0,0|1,0,1]=4 558 B6R0.3 CC(=O)C(=O)CBr 23277 [1,1,0,0,0,0|1,0,1]=4 559 B6R0.3 CC(=O)[C@H](C)C#N 50820 [1,1,0,0,0,0|1,0,1]=4 560 B6R0.3 CCC(=O)C(=O)O O10846 [1,1,0,0,0,0|0,0,1]=3 561 B6R0.3 CCC(=O)C(=O)[O-] TD8090 [1,1,0,0,0,0|0,0,2]=4 562 B6R0.3 CCC(O)C(C)O D93064 [1,1,0,0,0,0|0,0,2]=4 563 B6R0.3 CCN(C)C(=O)Cl F20387 [1,1,0,0,0,0|2,0,0]=4 564 B6R0.3 CC[C@H](Br)C(=O)Br D88666 [1,1,0,0,0,0|1,0,0]=3 565 B6R0.3 CC[C@H](Br)C(=O)Cl D89047 [1,1,0,0,0,0|1,0,0]=3 566 B6R0.3 CC[C@H](Br)C(=O)O P18633 [1,1,0,0,0,0|0,0,0]=2 567 B6R0.3 CC[C@H](Br)C(=O)O P18634 [1,1,0,0,0,0|0,0,0]=2 568 B6R0.3 CC[C@H](Br)C(N)=O F30757 [1,1,0,0,0,0|1,0,0]=3 569 B6R0.3 CC[C@H](C)B(O)O 33152 [1,1,0,0,0,0|1,0,1]=4 570 B6R0.3 CC[C@H](C)C(=O)O 88657 [1,1,0,0,0,0|0,0,0]=2 571 B6R0.3 CC[C@H](C)C(=O)O 88663 [1,1,0,0,0,0|0,0,0]=2 572 B6R0.3 CC[C@H](Cl)C(=O)O D89205 [1,1,0,0,0,0|0,0,0]=2 573 B6R0.3 CC[C@H](N)C(=O)O 11781 [1,1,0,0,0,0|0,0,0]=2 574 B6R0.3 CC[C@H](N)C(=O)O 23105 [1,1,0,0,0,0|0,0,0]=2 575 B6R0.3 CC[C@H](N)C(=O)O 25309 [1,1,0,0,0,0|0,0,0]=2 576 B6R0.3 CC[C@H](N)C(=O)O 80046 [1,1,0,0,0,0|0,0,0]=2 577 B6R0.3 CC[C@H](N)C(N)=O F11533 [1,1,0,0,0,0|1,0,0]=3 578 B6R0.3 CC[C@H](N)[C@@H](C)O D79477 [1,1,0,0,0,0|0,0,2]=4 579 B6R0.3 CC[C@H](O)C(=O)O 24676 [1,1,0,0,0,0|0,0,0]=2 580 B6R0.3 CC[C@H](O)C(=O)O A11368 [1,1,0,0,0,0|0,0,0]=2 581 B6R0.3 CC[C@H](O)C(=O)O D90822 [1,1,0,0,0,0|0,0,0]=2 582 B6R0.3 CC[C@H](O)C(=O)[O-] S10336 [1,1,0,0,0,0|0,0,1]=3 583 B6R0.3 CC[C@H](O)C(=O)[O-] S10400 [1,1,0,0,0,0|0,0,1]=3 584 B6R0.3 CNC(=O)C(=O)O W11373 [1,1,0,0,0,0|1,0,1]=4 585 B6R0.3 CN[C@@H](C)C(=O)O 28475 [1,1,0,0,0,0|1,0,0]=3 586 B6R0.3 CN[C@@H](C)C(=O)O FD21004 [1,1,0,0,0,0|1,0,0]=3 587 B6R0.3 CN[C@@H](C)C(=O)O FD21006 [1,1,0,0,0,0|1,0,0]=3 588 B6R0.3 CON(C)C(C)=O O12025 [1,1,0,0,0,0|2,0,0]=4 589 B6R0.3 CO[C@@H](C)C(=O)O 25435 [1,1,0,0,0,0|1,0,0]=3 590 B6R0.3 CO[C@@H](C)C(=O)O 77786 [1,1,0,0,0,0|1,0,0]=3 591 B6R0.3 CO[C@@H](C)C(=O)O CS1158 [1,1,0,0,0,0|1,0,0]=3 592 B6R0.3 C[C@@H](CBr)C(=O)O A10794 [1,1,0,0,0,0|1,0,0]=3 593 B6R0.3 C[C@@H](CN)C(=O)O 22851 [1,1,0,0,0,0|1,0,0]=3 594 B6R0.3 C[C@@H](CN)C(=O)O 52204 [1,1,0,0,0,0|1,0,0]=3 595 B6R0.3 C[C@@H](CS)C(=O)O D91461 [1,1,0,0,0,0|1,0,0]=3 596 B6R0.3 C\C=C(/C)C(=O)O D78012 [1,1,0,0,0,0|0,0,2]=4 597 B6R0.3 C\C=C(\C)C(=O)O 11732 [1,1,0,0,0,0|0,0,2]=4 598 B6R0.3 NC(=O)[C@@H](Br)CBr D95258 [1,1,0,0,0,0|2,0,0]=4 599 B6R0.3 NC(=O)[C@@H](Cl)CCl D89971 [1,1,0,0,0,0|2,0,0]=4 600 B6R0.3 NC(=O)[C@@H](N)CO 71065 [1,1,0,0,0,0|2,0,0]=4 601 B6R0.3 NC(=O)[C@@H](N)CO FD3061 [1,1,0,0,0,0|2,0,0]=4 602 B6R0.3 NC[C@H](N)C(=O)O 22838 [1,1,0,0,0,0|1,0,0]=3 603 B6R0.3 NC[C@H](N)C(=O)O 51944 [1,1,0,0,0,0|1,0,0]=3 604 B6R0.3 NC[C@H](N)C(=O)O 51945 [1,1,0,0,0,0|1,0,0]=3 605 B6R0.3 NC[C@H](N)C(=O)O FD1046 [1,1,0,0,0,0|1,0,0]=3 606 B6R0.3 NC[C@H](O)C(=O)O 50049 [1,1,0,0,0,0|1,0,0]=3 607 B6R0.3 NC[C@H](O)C(=O)O C10711 [1,1,0,0,0,0|1,0,0]=3 608 B6R0.3 N[C@@H](CCl)C(=O)O 77992 [1,1,0,0,0,0|1,0,0]=3 609 B6R0.3 N[C@@H](CCl)C(=O)O F11547 [1,1,0,0,0,0|1,0,0]=3 610 B6R0.3 N[C@@H](CCl)C(=O)O FD21123 [1,1,0,0,0,0|1,0,0]=3 611 B6R0.3 N[C@@H](CO)C(=O)O 29580 [1,1,0,0,0,0|1,0,0]=3 612 B6R0.3 N[C@@H](CO)C(=O)O 30744 [1,1,0,0,0,0|1,0,0]=3 613 B6R0.3 N[C@@H](CO)C(=O)O D70822 [1,1,0,0,0,0|1,0,0]=3 614 B6R0.3 N[C@@H](CS)C(=O)O 22868 [1,1,0,0,0,0|1,0,0]=3 615 B6R0.3 N[C@@H](CS)C(=O)O 24506 [1,1,0,0,0,0|1,0,0]=3 616 B6R0.3 N[C@@H](CS)C(=O)O 37900 [1,1,0,0,0,0|1,0,0]=3 617 B6R0.3 N[C@@H](CS)C(=O)O AC8040 [1,1,0,0,0,0|1,0,0]=3 618 B6R0.3 N[C@@H](CS)C(=O)O E72644 [1,1,0,0,0,0|1,0,0]=3 619 B6R0.3 N[C@@H](CS)C(=O)O FD21265 [1,1,0,0,0,0|1,0,0]=3 620 B6R0.3 N[C@@H](CS)C(=O)O FD21267 [1,1,0,0,0,0|1,0,0]=3 621 B6R0.3 N[C@@H](CS)C(=O)O FD21272 [1,1,0,0,0,0|1,0,0]=3 622 B6R0.3 N[C@@H](CS)C(=O)O FD3010 [1,1,0,0,0,0|1,0,0]=3 623 B6R0.3 O=C(Cl)[C@@H](Br)CBr D78346 [1,1,0,0,0,0|2,0,0]=4 624 B6R0.3 O=C(O)C(=O)CBr 21724 [1,1,0,0,0,0|1,0,1]=4 625 B6R0.3 O=C(O)[C@@H](Br)CBr O10565 [1,1,0,0,0,0|1,0,0]=3 626 B6R0.3 O=C(O)[C@@H](Br)CO AB10178 [1,1,0,0,0,0|1,0,0]=3 627 B6R0.3 O=C(O)[C@@H](Cl)CCl D89648 [1,1,0,0,0,0|1,0,0]=3 628 B6R0.3 O=C(O)[C@@H](O)CO A51166 [1,1,0,0,0,0|1,0,0]=3 629 B6R0.4 C#CCCC(=O)O 90045 [1,1,0,0,0,0|0,0,1]=3 630 B6R0.4 C#CCOC(C)=O 36884 [1,1,0,0,0,0|0,0,2]=4 631 B6R0.4 C=C(C)CNCC D95542 [1,1,0,0,0,0|1,0,0]=3 632 B6R0.4 C=CCCC(=O)O O12040 [1,1,0,0,0,0|0,0,1]=3 633 B6R0.4 CC(=O)CCCCl D77754 [1,1,0,0,0,0|0,0,0]=2 634 B6R0.4 CC(=O)CCCO 24602 [1,1,0,0,0,0|0,0,0]=2 635 B6R0.4 CC(=O)NCCN D70867 [1,1,0,0,0,0|1,0,0]=3 636 B6R0.4 CC(=O)NCCO FD10637 [1,1,0,0,0,0|1,0,0]=3 637 B6R0.4 CC(=O)NCCS AT13754 [1,1,0,0,0,0|1,0,0]=3 638 B6R0.4 CC(=O)OCCBr C10198 [1,1,0,0,0,0|1,0,0]=3 639 B6R0.4 CC(=O)OCCCl D88201 [1,1,0,0,0,0|1,0,0]=3 640 B6R0.4 CC(=O)OCCO D88371 [1,1,0,0,0,0|1,0,0]=3 641 B6R0.4 CC(C)=CCCBr F19983 [1,1,0,0,0,0|1,0,1]=4 642 B6R0.4 CC(C)CCCBr O10389 [1,1,0,0,0,0|1,0,1]=4 643 B6R0.4 CC(C)CCCO F20439 [1,1,0,0,0,0|1,0,1]=4 644 B6R0.4 CCC#CC(=O)O D84135 [1,1,0,0,0,0|0,0,1]=3 645 B6R0.4 CCCCB(O)O 33151 [1,1,0,0,0,0|1,0,1]=4 646 B6R0.4 CCCCC(=N)N 31933 [1,1,0,0,0,0|2,0,0]=4 647 B6R0.4 CCCCC(=N)N W16181 [1,1,0,0,0,0|2,0,0]=4 648 B6R0.4 CCCCC(=O)[O-] F16484 [1,1,0,0,0,0|0,0,1]=3 649 B6R0.4 CCCCC(N)=O A10835 [1,1,0,0,0,0|1,0,0]=3 650 B6R0.4 CCCNC(C)=O D97464 [1,1,0,0,0,0|0,0,0]=2 651 B6R0.4 CCCNC(N)=S D86341 [1,1,0,0,0,0|1,1,0]=4 652 B6R0.4 CCCOC(=S)[S-] D91970 [1,1,0,0,0,0|0,2,0]=4 653 B6R0.4 CCCOC(N)=O F16337 [1,1,0,0,0,0|1,0,0]=3 654 B6R0.4 CCCSC(C)=O D92148 [1,1,0,0,0,0|0,0,0]=2 655 B6R0.4 CCOCC(C)C D93520 [1,1,0,0,0,0|1,0,1]=4 656 B6R0.4 CCSCC(=O)O D95699 [1,1,0,0,0,0|0,0,0]=2 657 B6R0.4 CC\C=C\C(=O)O D72497 [1,1,0,0,0,0|0,0,1]=3 658 B6R0.4 CC\C=C\C(=O)O P17755 [1,1,0,0,0,0|0,0,1]=3 659 B6R0.4 CN(C)CCCBr 25428 [1,1,0,0,0,0|2,0,0]=4 660 B6R0.4 CN(C)CCCCl 23626 [1,1,0,0,0,0|2,0,0]=4 661 B6R0.4 CN(C)CCCCl AC7814 [1,1,0,0,0,0|2,0,0]=4 662 B6R0.4 CN(C)CCCS D93440 [1,1,0,0,0,0|2,0,0]=4 663 B6R0.4 CNCCC(=O)O 29150 [1,1,0,0,0,0|0,0,0]=2 664 B6R0.4 CNCCC(=O)O C76064 [1,1,0,0,0,0|0,0,0]=2 665 B6R0.4 CNCCN(C)C 20029 [1,1,0,0,0,0|2,0,0]=4 666 B6R0.4 CNCCN(C)C 24589 [1,1,0,0,0,0|2,0,0]=4 667 B6R0.4 COCCC(=N)N W16180 [1,1,0,0,0,0|2,0,0]=4 668 B6R0.4 COCCC(=O)O F14687 [1,1,0,0,0,0|0,0,0]=2 669 B6R0.4 COCCN(C)C A11162 [1,1,0,0,0,0|2,0,0]=4 670 B6R0.4 CO\C=C\C(C)=O D78013 [1,1,0,0,0,0|0,0,2]=4 671 B6R0.4 CO\C=C\C(C)=O F50213 [1,1,0,0,0,0|0,0,2]=4 672 B6R0.4 CSCCC(=O)O D87669 [1,1,0,0,0,0|0,0,0]=2 673 B6R0.4 CSCCC(C)=O D91573 [1,1,0,0,0,0|0,0,0]=2 674 B6R0.4 CSCOC(C)=O D88428 [1,1,0,0,0,0|1,0,0]=3 675 B6R0.4 C[C@H](Br)CCCBr F14613 [1,1,0,0,0,0|1,0,1]=4 676 B6R0.4 C[C@H](O)CCCO 22874 [1,1,0,0,0,0|0,0,2]=4 677 B6R0.4 C\C=C\CC(=O)O D92067 [1,1,0,0,0,0|0,0,1]=3 678 B6R0.4 N#CCCC(=O)O 81998 [1,1,0,0,0,0|0,0,1]=3 679 B6R0.4 NC(=O)NCCO C10765 [1,1,0,0,0,0|2,0,0]=4 680 B6R0.4 NCCCC(=O)O D70585 [1,1,0,0,0,0|0,0,0]=2 681 B6R0.4 NCCNC(N)=O D83060 [1,1,0,0,0,0|2,0,0]=4 682 B6R0.4 O=C(Cl)CCCBr P19996 [1,1,0,0,0,0|1,0,0]=3 683 B6R0.4 O=C(Cl)OCCCl AT19702 [1,1,0,0,0,0|2,0,0]=4 684 B6R0.4 O=C(O)C#CCO 25830 [1,1,0,0,0,0|0,0,2]=4 685 B6R0.4 O=C(O)CCCBr 20498 [1,1,0,0,0,0|0,0,0]=2 686 B6R0.4 O=C(O)CCCCl F19286 [1,1,0,0,0,0|0,0,0]=2 687 B6R0.4 O=C(O)CCCS F20547 [1,1,0,0,0,0|0,0,0]=2 688 B6R0.4 O=C(O)\C=C\CBr 84952 [1,1,0,0,0,0|0,0,2]=4 689 B6R0.4 O=CNCC(=O)O AC8948 [1,1,0,0,0,0|1,0,1]=4 690 B6R0.5 CCCC(C)(C)Cl H10235 [1,1,0,0,0,0|1,0,1]=4 691 B6R0.5 CCCS(=O)(=O)Cl N10374 [1,1,0,0,0,0|1,0,1]=4 692 B6R0.5 CCCS(=O)(=O)[O-] D91948 [1,1,0,0,0,0|1,0,1]=4 693 B6R0.5 CCCS(N)(=O)=O W12497 [1,1,0,0,0,0|1,0,1]=4 694 B6R0.5 CCOS(C)(=O)=O H10715 [1,1,0,0,0,0|2,0,0]=4 695 B6R0.5 CS(=O)(=O)CCCl 72256 [1,1,0,0,0,0|2,0,0]=4 696 B6R0.5 CS(=O)(=O)CCN AR2651 [1,1,0,0,0,0|2,0,0]=4 697 B6R0.5 CS(=O)(=O)CCN C77681 [1,1,0,0,0,0|2,0,0]=4 698 B6R0.5 CS(=O)(=O)CCO D73179 [1,1,0,0,0,0|2,0,0]=4 699 B6R0.5 NCCP(=O)(O)O C73847 [1,1,0,0,0,0|2,0,0]=4 700 B6R0.5 NCCS(=O)(=O)O D78121 [1,1,0,0,0,0|2,0,0]=4 701 B6R0.5 O=S(=O)(O)CCO A10809 [1,1,0,0,0,0|2,0,0]=4 702 B6R0.6 CCCC#CCO D90881 [1,1,0,0,0,0|1,0,1]=4 703 B6R0.6 CCCC=CC=O D78252 [1,1,0,0,0,0|1,0,1]=4 704 B6R0.6 CCCCCCI F20355 [1,1,0,0,0,0|1,0,1]=4 705 B6R0.6 CCCCCCN F19564 [1,1,0,0,0,0|1,0,1]=4 706 B6R0.6 CCCCCNC D91584 [1,1,0,0,0,0|1,0,1]=4 707 B6R0.6 CCCNCCC D89745 [1,1,0,0,0,0|1,0,1]=4 708 B6R0.6 CCCNCCO C10761 [1,1,0,0,0,0|2,0,0]=4 709 B6R0.6 CCCOCCCl H10822 [1,1,0,0,0,0|2,0,0]=4 710 B6R0.6 CCC\C=C\CO D78301 [1,1,0,0,0,0|1,0,0]=3 711 B6R0.6 CCNCCCN D82016 [1,1,0,0,0,0|2,0,0]=4 712 B6R0.6 CCNCCCO 31655 [1,1,0,0,0,0|2,0,0]=4 713 B6R0.6 CCNCCOC H11999 [1,1,0,0,0,0|0,0,1]=3 714 B6R0.6 CCOCCCCl D95770 [1,1,0,0,0,0|1,0,1]=4 715 B6R0.6 CCOCCCO D95933 [1,1,0,0,0,0|1,0,1]=4 716 B6R0.6 CC\C=C/CCO 73722 [1,1,0,0,0,0|1,0,1]=4 717 B6R0.6 CNCCCCO F10210 [1,1,0,0,0,0|1,0,1]=4 718 B6R0.6 COCCCCBr F13727 [1,1,0,0,0,0|0,0,1]=3 719 B6R0.6 COCCCCCl 28715 [1,1,0,0,0,0|0,0,1]=3 720 B6R0.6 COCCCCO D78159 [1,1,0,0,0,0|0,0,1]=3 721 B6R0.6 COCCOCCl H11303 [1,1,0,0,0,0|1,0,1]=4 722 B6R0.6 COCOCOC 75328 [1,1,0,0,0,0|1,0,1]=4 723 B6R0.6 C[NH2+]CCC[NH2+]C D90229 [1,1,0,0,0,0|1,0,1]=4 724 B6R0.8 CCS(=O)(=O)OC A10853 [1,1,0,0,0,0|1,0,0]=3 725 B6R0.9 CCN(C=O)CC A10832 [1,1,0,0,0,0|2,0,0]=4 726 B6R0.9 CCN(CC)N=O F14922 [1,1,0,0,0,0|2,0,0]=4 727 B6R0.9 COC(C=O)OC D70286 [1,1,0,0,0,0|1,0,1]=4 728 B8R0.2 CCC(C)C(=O)C(=O)[O-] H10988 [0,2,0,0,0,0|2,0,0]=4 729 B8R0.2 CC[C@H](C)C(=O)C(=O)O F16679 [0,2,0,0,0,0|2,0,0]=4 730 B8R0.2 CC[C@H](C)C(=O)C(=O)[O-] D97764 [0,2,0,0,0,0|2,0,0]=4 731 B8R0.2 COC(=O)[C@@H](C)C(C)=O AB7549 [0,2,0,0,0,0|0,0,1]=3 732 B8R0.2 COC(=O)[C@@H](Cl)C(C)=O 29073 [0,2,0,0,0,0|0,0,1]=3 733 B8R0.2 COC(=O)[C@@H](N)C(C)C 28580 [0,2,0,0,0,0|0,0,0]=2 734 B8R0.2 COC(=O)[C@@H](N)C(C)C A11398 [0,2,0,0,0,0|0,0,0]=2 735 B8R0.2 COC(=O)[C@@H](N)C(C)C I10617 [0,2,0,0,0,0|0,0,0]=2 736 B8R0.2 COC(=O)[C@@H](N)[C@@H](C)O 73270 [0,2,0,0,0,0|0,0,0]=2 737 B8R0.2 COC(=O)[C@@H](N)[C@@H](C)O F11506 [0,2,0,0,0,0|0,0,0]=2 738 B8R0.2 COC(=O)[C@@H](N)[C@H](C)O C76545 [0,2,0,0,0,0|0,0,0]=2 739 B8R0.2 COC(=O)[C@@H](N)[C@H](C)O F14482 [0,2,0,0,0,0|0,0,0]=2 740 B8R0.5 CC(C)OC(=O)CC#N D97852 [0,2,0,0,0,0|1,0,1]=4 741 B8R0.5 CC(C)OC(=O)OCCl D77787 [0,2,0,0,0,0|1,0,0]=3 742 B8R0.5 CCOC(=O)C=C(C)C O11780 [0,2,0,0,0,0|0,0,2]=4 743 B8R0.5 CCOC(=O)CC(=N)N AR2171 [0,2,0,0,0,0|1,0,1]=4 744 B8R0.5 CCOC(=O)CC(=O)Cl S10339 [0,2,0,0,0,0|1,0,1]=4 745 B8R0.5 CCOC(=O)CC(=O)O F20358 [0,2,0,0,0,0|1,0,1]=4 746 B8R0.5 CCOC(=O)CC(=O)[O-] 28442 [0,2,0,0,0,0|1,0,1]=4 747 B8R0.5 CCOC(=O)CC(N)=O 33127 [0,2,0,0,0,0|1,0,1]=4 748 B8R0.5 CCOC(=O)CC(N)=S F20893 [0,2,0,0,0,0|1,0,1]=4 749 B8R0.5 CCOC(=O)CN(C)C D78232 [0,2,0,0,0,0|1,0,0]=3 750 B8R0.5 CCOC(=O)C[C@H](C)Br 29510 [0,2,0,0,0,0|0,0,0]=2 751 B8R0.5 CCOC(=O)C[C@H](C)N A11039 [0,2,0,0,0,0|0,0,0]=2 752 B8R0.5 CCOC(=O)C[C@H](C)N AC9275 [0,2,0,0,0,0|0,0,0]=2 753 B8R0.5 CCOC(=O)C[C@H](C)O D70263 [0,2,0,0,0,0|0,0,0]=2 754 B8R0.5 CCOC(=O)C[C@H](C)O F16431 [0,2,0,0,0,0|0,0,0]=2 755 B8R0.5 CCOC(=O)C[C@H](C)O SC1027 [0,2,0,0,0,0|0,0,0]=2 756 B8R0.5 CCOC(=O)C[N+](=O)[O-] 76581 [0,2,0,0,0,0|2,0,0]=4 757 B8R0.5 CCOC(=O)NC(C)=O W18296 [0,2,0,0,0,0|1,0,1]=4 758 B8R0.5 CCOC(=O)O[C@H](C)Cl AC7896 [0,2,0,0,0,0|1,0,0]=3 759 B8R0.5 CCOC(=O)\C=C(\C)I AC5957 [0,2,0,0,0,0|0,0,2]=4 760 B8R0.5 CCOC(=O)\C=C(\C)N A11031 [0,2,0,0,0,0|0,0,2]=4 761 B8R0.5 CCOC(=O)\C=C(\C)N AB1419 [0,2,0,0,0,0|0,0,2]=4 762 B8R0.16 COC(C[C@H](C)O)OC AC1866 [0,2,0,0,0,0|0,0,2]=4 763 B8R0.19 CCC(=O)CC(=O)CC O11824 [0,2,0,0,0,0|1,0,0]=3 764 B8R0.19 CCC(=O)CC(=O)OC AC7866 [0,2,0,0,0,0|0,0,0]=2 765 B8R0.19 CN\C(C)=C\C(=O)OC C12462 [0,2,0,0,0,0|0,0,2]=4 766 B8R0.19 COC(=O)CC(=O)CCl S12341 [0,2,0,0,0,0|0,0,1]=3 767 B8R0.19 COC(=O)CC(=O)OC D72530 [0,2,0,0,0,0|0,0,1]=3 768 B8R0.19 COC(=O)OC(=O)OC D95912 [0,2,0,0,0,0|1,0,1]=4 769 B8R0.23 C=C(C)C(=O)NC(C)C A11002 [0,2,0,0,0,0|2,0,0]=4 770 B8R0.23 CC(=O)C(=O)CC(C)C D84272 [0,2,0,0,0,0|1,0,0]=3 771 B8R0.23 CC(=O)CC(=O)C(C)C 76315 [0,2,0,0,0,0|1,0,1]=4 772 B8R0.23 CC(C)CC(=O)C(=O)O D82408 [0,2,0,0,0,0|2,0,0]=4 773 B8R0.23 CC(C)CC(=O)C(=O)[O-] F10915 [0,2,0,0,0,0|2,0,0]=4 774 B8R0.23 CC(C)OC(=O)[C@H](C)N 34399 [0,2,0,0,0,0|2,0,0]=4 775 B8R0.23 CC(C)OC(=O)[C@H](C)N F20403 [0,2,0,0,0,0|2,0,0]=4 776 B8R0.24 CCC(=O)OC(C)(C)C D89002 [0,2,0,0,0,0|2,0,0]=4 777 B8R0.24 CNC(=O)OC(C)(C)C 79474 [0,2,0,0,0,0|2,0,0]=4 778 B8R0.24 COC(=O)CC(C)(C)C D95626 [0,2,0,0,0,0|0,0,0]=2 779 B8R0.24 COC(=O)CS(=O)(=O)Cl 30553 [0,2,0,0,0,0|2,0,0]=4 780 B8R0.24 COC(=O)CS(=O)(=O)[O-] 32395 [0,2,0,0,0,0|2,0,0]=4 781 B8R0.24 COC(=O)CS(C)(=O)=O AC8028 [0,2,0,0,0,0|1,0,0]=3 782 B8R0.1 C#CCCC(=O)OCC 90044 [0,2,0,0,0,0|0,0,1]=3 783 B8R0.1 C=CCCC(=O)OCC H10612 [0,2,0,0,0,0|0,0,1]=3 784 B8R0.1 C=CCOC(=O)CC#N D74895 [0,2,0,0,0,0|1,0,1]=4 785 B8R0.1 CCC#CC(=O)OCC AB21618 [0,2,0,0,0,0|0,0,1]=3 786 B8R0.1 CCOC(=O)CCCBr F11167 [0,2,0,0,0,0|0,0,0]=2 787 B8R0.1 CCOC(=O)CCCI 74907 [0,2,0,0,0,0|0,0,0]=2 788 B8R0.1 CCOC(=O)CCCN 20516 [0,2,0,0,0,0|0,0,0]=2 789 B8R0.1 CCOC(=O)CCNC 30981 [0,2,0,0,0,0|0,0,0]=2 790 B8R0.1 CCOC(=O)CCOC D91424 [0,2,0,0,0,0|0,0,0]=2 791 B8R0.1 CCOC(=O)CCSC D90571 [0,2,0,0,0,0|0,0,0]=2 792 B8R0.1 CCOC(=O)CN=C=O AC9274 [0,2,0,0,0,0|1,0,1]=4 793 B8R0.1 CCOC(=O)CN=C=S D91182 [0,2,0,0,0,0|1,0,1]=4 794 B8R0.1 CCOC(=O)CNC=O FD21624 [0,2,0,0,0,0|1,0,1]=4 795 B8R0.1 CCOC(=O)NCCCl 61494 [0,2,0,0,0,0|1,0,0]=3 796 B8R0.1 CCOC(=O)\C=C\CBr 12202 [0,2,0,0,0,0|0,0,2]=4 797 B8R0.1 CCOCC(=O)OCC D81905 [0,2,0,0,0,0|0,0,0]=2 798 B8R0.3 C=C(CBr)C(=O)OCC 60939 [0,2,0,0,0,0|1,0,1]=4 799 B8R0.3 C=C(CO)C(=O)OCC 35200 [0,2,0,0,0,0|1,0,1]=4 800 B8R0.3 CCCC(=O)N(C)OC F19920 [0,2,0,0,0,0|0,0,0]=2 801 B8R0.3 CCC[C@H](C)C(=O)OC D92993 [0,2,0,0,0,0|0,0,0]=2 802 B8R0.3 CCC[C@H](N)C(=O)OC 64049 [0,2,0,0,0,0|0,0,0]=2 803 B8R0.3 CCC[C@H](N)C(=O)OC D83467 [0,2,0,0,0,0|0,0,0]=2 804 B8R0.3 CCOC(=O)C(=O)CBr 23027 [0,2,0,0,0,0|1,0,1]=4 805 B8R0.3 CCOC(=O)C(=O)CC RB3244 [0,2,0,0,0,0|0,0,1]=3 806 B8R0.3 CCOC(=O)C(=O)NC W11374 [0,2,0,0,0,0|1,0,1]=4 807 B8R0.3 CCOC(=O)[C@@H](Br)CBr AB2839 [0,2,0,0,0,0|1,0,0]=3 808 B8R0.3 CCOC(=O)[C@@H](Br)CC D70575 [0,2,0,0,0,0|0,0,0]=2 809 B8R0.3 CCOC(=O)[C@@H](C)C=O O11759 [0,2,0,0,0,0|1,0,1]=4 810 B8R0.3 CCOC(=O)[C@@H](Cl)C=O 52355 [0,2,0,0,0,0|1,0,1]=4 811 B8R0.3 CCOC(=O)[C@@H](N)CC 29271 [0,2,0,0,0,0|0,0,0]=2 812 B8R0.3 CCOC(=O)[C@@H](N)CC 90200 [0,2,0,0,0,0|0,0,0]=2 813 B8R0.3 CCOC(=O)[C@@H](N)CC D84487 [0,2,0,0,0,0|0,0,0]=2 814 B8R0.3 CCOC(=O)[C@@H](N)CO FD3048 [0,2,0,0,0,0|1,0,0]=3 815 B8R0.3 CCOC(=O)[C@@H](N)CO FD3050 [0,2,0,0,0,0|1,0,0]=3 816 B8R0.3 CCOC(=O)[C@@H](N)CO FD3052 [0,2,0,0,0,0|1,0,0]=3 817 B8R0.3 CCOC(=O)[C@@H](N)CS AT20237 [0,2,0,0,0,0|1,0,0]=3 818 B8R0.3 CCOC(=O)[C@@H](N)CS D70639 [0,2,0,0,0,0|1,0,0]=3 819 B8R0.3 CCOC(=O)[C@H](C)C#N 23129 [0,2,0,0,0,0|1,0,1]=4 820 B8R0.3 COC(=O)[C@@H](Br)CCBr 61732 [0,2,0,0,0,0|0,0,0]=2 821 B8R0.3 COC(=O)[C@@H](C)CCCl D89391 [0,2,0,0,0,0|0,0,0]=2 822 B8R0.3 COC[C@H](Br)C(=O)OC A10668 [0,2,0,0,0,0|0,0,0]=2 823 B8R0.3 C\C=C(/C)C(=O)OCC D94746 [0,2,0,0,0,0|0,0,2]=4 824 B8R0.6 C#CCCCC(=O)OC C90747 [0,2,0,0,0,0|0,0,0]=2 825 B8R0.6 C=CC(=O)CCCCC D71008 [0,2,0,0,0,0|1,0,1]=4 826 B8R0.6 C=CC(=O)NCCCC D82024 [0,2,0,0,0,0|1,0,1]=4 827 B8R0.6 C=CCCCC(=O)OC H11902 [0,2,0,0,0,0|0,0,0]=2 828 B8R0.6 CCCCNC(=O)CC D88679 [0,2,0,0,0,0|1,0,0]=3 829 B8R0.6 CCCCNC(=O)CCl 23765 [0,2,0,0,0,0|2,0,0]=4 830 B8R0.6 CCCCOC(=O)CN F52077 [0,2,0,0,0,0|2,0,0]=4 831 B8R0.6 CCCCOC(=O)CO D70201 [0,2,0,0,0,0|2,0,0]=4 832 B8R0.6 CCC\C=C\C(=O)OC 28979 [0,2,0,0,0,0|0,0,0]=2 833 B8R0.6 CCC\C=C\C(=O)OC AC7684 [0,2,0,0,0,0|0,0,0]=2 834 B8R0.6 CCNCCC(=O)OC 31591 [0,2,0,0,0,0|0,0,0]=2 835 B8R0.6 CC\C=C\CC(=O)OC D93382 [0,2,0,0,0,0|0,0,0]=2 836 B8R0.6 CNCCCC(=O)OC AB9747 [0,2,0,0,0,0|0,0,0]=2 837 B8R0.6 COC(=O)CCCC#N 32622 [0,2,0,0,0,0|0,0,0]=2 838 B8R0.6 COC(=O)CCCCBr 76669 [0,2,0,0,0,0|0,0,0]=2 839 B8R0.6 COC(=O)CCCCCl D75917 [0,2,0,0,0,0|0,0,0]=2 840 B8R0.6 COC(=O)CCCCN 76218 [0,2,0,0,0,0|0,0,0]=2 841 B8R0.6 COC(=O)COCCCl 39408 [0,2,0,0,0,0|0,0,0]=2 842 B8R0.6 COCCCC(=O)OC F14920 [0,2,0,0,0,0|0,0,0]=2 843 B8R0.6 C\C=C\C=C\C(=O)OC H10763 [0,2,0,0,0,0|0,0,2]=4 844 B8R0.8 C=C(C)C(=O)NCCO A51143 [0,2,0,0,0,0|2,0,0]=4 845 B8R0.8 C=C(C)C(=O)OCCN 77919 [0,2,0,0,0,0|2,0,0]=4 846 B8R0.8 C=C(C)C(=O)OCCO D70640 [0,2,0,0,0,0|2,0,0]=4 847 B8R0.8 CC(C)C(=O)NCCN D86303 [0,2,0,0,0,0|2,0,0]=4 848 B8R0.8 CCCCC(=O)C(C)C D91376 [0,2,0,0,0,0|1,0,0]=3 849 B8R0.8 CCCOC(=O)[C@H](C)O D91251 [0,2,0,0,0,0|1,0,0]=3 850 B8R0.8 C[C@H](O)C(=O)NCCO D90852 [0,2,0,0,0,0|2,0,0]=4 851 B8R0.9 CC(C)CNC(=O)CCl F20035 [0,2,0,0,0,0|2,0,0]=4 852 B8R0.9 CCC(=O)CCC(=O)O D93322 [0,2,0,0,0,0|1,0,1]=4 853 B8R0.9 CCC(=O)NCC(C)C AC2518 [0,2,0,0,0,0|1,0,0]=3 854 B8R0.9 COC(=O)CCC(=O)Cl S11982 [0,2,0,0,0,0|0,0,1]=3 855 B8R0.9 COC(=O)CCC(=O)O 73736 [0,2,0,0,0,0|0,0,1]=3 856 B8R0.9 COC(=O)CCC(C)=O H11992 [0,2,0,0,0,0|0,0,0]=2 857 B8R0.9 COC(=O)CCC(N)=O D92260 [0,2,0,0,0,0|0,0,1]=3 858 B8R0.9 COC(=O)CCN(C)C 32618 [0,2,0,0,0,0|0,0,0]=2 859 B8R0.9 COC(=O)CC[S@](=O)[O-] F16696 [0,2,0,0,0,0|1,0,0]=3 860 B8R0.9 COC(=O)NCC(=O)O S10575 [0,2,0,0,0,0|1,0,1]=4 861 B8R0.11 COC(CCCCl)OC 40304 [0,2,0,0,0,0|0,0,2]=4 862 B8R0.11 COC(CCCN)OC D77943 [0,2,0,0,0,0|0,0,2]=4 863 B8R0.14 CCOC(=O)C(C)(C)F 88179 [0,2,0,0,0,0|2,0,0]=4 864 B8R0.14 CCOC(=O)C(C)(C)N 20759 [0,2,0,0,0,0|2,0,0]=4 865 B8R0.14 CCOC(=O)C(C)(C)O D90826 [0,2,0,0,0,0|2,0,0]=4 866 B8R0.14 CCOC(=O)C(C)(F)F 87330 [0,2,0,0,0,0|2,0,0]=4 867 B8R0.22 CCCN(C=O)CCC D70355 [0,2,0,0,0,0|2,0,0]=4 868 B8R0.22 CCCN(CCC)N=O D91709 [0,2,0,0,0,0|2,0,0]=4 869 B8R0.30 CCCS(=O)(=O)CCC D89800 [0,2,0,0,0,0|2,0,0]=4 870 B8R0.30 CCOP(=O)(O)OCC F15034 [0,2,0,0,0,0|2,0,0]=4 871 B8R0.30 CCOP(=O)([O-])OCC D90614 [0,2,0,0,0,0|2,0,0]=4 872 B8R0.30 CCOP(C)(=O)OCC D93192 [0,2,0,0,0,0|2,0,0]=4 873 B8R0.30 CCOP(N)(=O)OCC D90052 [0,2,0,0,0,0|2,0,0]=4 874 B8R0.13 CC[C@](C)(N)C(=O)OC H10174 [0,2,0,0,0,0|0,0,0]=2 875 B8R0.13 COC(=O)C(C)(C)C#N O11874 [0,2,0,0,0,0|1,0,1]=4 876 B8R0.13 COC(=O)C(C)(C)CN 30904 [0,2,0,0,0,0|1,0,0]=3 877 B8R0.13 COC(=O)C(C)(C)CO AB7536 [0,2,0,0,0,0|1,0,0]=3 878 B8R0.13 COC(=O)C(Cl)(Cl)OC F12542 [0,2,0,0,0,0|1,0,0]=3 879 B8R0.20 COC(=O)C(CBr)CBr 64019 [0,2,0,0,0,0|1,0,0]=3 880 B8R0.20 COC(=O)C(OC)OC 39412 [0,2,0,0,0,0|1,0,0]=3 881 B6R1.2 CC1=NCCC1 35340 [1,0,0,1,0,0|1,0,0]=3 882 B6R1.2 CC1=NCCN1 S11926 [1,0,0,1,0,0|2,0,0]=4 883 B6R1.2 CC1=NCCO1 F16112 [1,0,0,1,0,0|1,0,1]=4 884 B6R1.2 CC1=NCCS1 D91305 [1,0,0,1,0,0|1,1,0]=4 885 B6R1.2 CN1CCCC1 D78045 [1,0,0,1,0,0|2,0,0]=4 886 B6R1.2 C[C@H]1CCCN1 11755 [1,0,0,1,0,0|1,0,1]=4 887 B6R1.2 C[C@H]1CCCN1 23331 [1,0,0,1,0,0|1,0,1]=4 888 B6R1.2 C[C@H]1CCCN1 64834 [1,0,0,1,0,0|1,0,1]=4 889 B6R1.2 C[C@H]1CCCN1 64835 [1,0,0,1,0,0|1,0,1]=4 890 B6R1.2 C[C@H]1CCCN1 64836 [1,0,0,1,0,0|1,0,1]=4 891 B6R1.2 C[C@H]1CCCS1 TD8134 [1,0,0,1,0,0|0,1,1]=4 892 B6R1.2 C[S+]1CCCC1 AC8164 [1,0,0,1,0,0|2,0,0]=4 893 B6R1.2 IC1CCCC1 P10039 [1,0,0,1,0,0|1,0,1]=4 894 B6R1.2 N=C1CCCS1 H10471 [1,0,0,1,0,0|1,1,0]=4 895 B6R1.2 NC1=NCCC1 23751 [1,0,0,1,0,0|2,0,0]=4 896 B6R1.2 NC1CCCC1 22312 [1,0,0,1,0,0|1,0,1]=4 897 B6R1.2 O=C1C=CCC1 23169 [1,0,0,1,0,0|0,0,2]=4 898 B6R1.2 O=C1C=CCO1 20453 [1,0,0,1,0,0|0,0,2]=4 899 B6R1.2 O=C1CC=CC1 68366 [1,0,0,1,0,0|0,0,2]=4 900 B6R1.2 O=C1CCCN1 D95709 [1,0,0,1,0,0|1,0,0]=3 901 B6R1.2 O=C1CCCN1 D96808 [1,0,0,1,0,0|1,0,0]=3 902 B6R1.2 O=C1CCNC1 65410 [1,0,0,1,0,0|1,0,0]=3 903 B6R1.2 O=C1CCNN1 F15485 [1,0,0,1,0,0|2,0,0]=4 904 B6R1.2 O=C1CCOC1 28102 [1,0,0,1,0,0|1,0,0]=3 905 B6R1.2 O=C1CCSC1 37995 [1,0,0,1,0,0|1,0,0]=3 906 B6R1.2 O=C1NCCN1 D71145 [1,0,0,1,0,0|2,0,0]=4 907 B6R1.2 O=C1NCCO1 C93484 [1,0,0,1,0,0|1,0,0]=3 908 B6R1.2 O=C1NCCS1 35133 [1,0,0,1,0,0|1,1,0]=4 909 B6R1.2 O=C1OCCO1 D72525 [1,0,0,1,0,0|1,0,0]=3 910 B6R1.2 O=S1CCCC1 D92307 [1,0,0,1,0,0|1,0,0]=3 911 B6R1.2 O=S1OCCO1 AC7916 [1,0,0,1,0,0|2,0,0]=4 912 B6R1.2 OC1=NNCC1 I10060 [1,0,0,1,0,0|2,0,0]=4 913 B6R1.2 O[C@@H]1CCCO1 31275 [1,0,0,1,0,0|0,0,2]=4 914 B6R1.2 S=C1CCCN1 D95546 [1,0,0,1,0,0|1,1,0]=4 915 B6R1.2 S=C1NCCO1 79469 [1,0,0,1,0,0|1,1,0]=4 916 B6R1.2 SC1CCCC1 D89300 [1,0,0,1,0,0|0,1,1]=4 917 B6R1.5 NC1CC(=O)C1 33403 [1,0,0,1,0,0|1,0,0]=3 918 B6R1.5 O=C1CC(Br)C1 38627 [1,0,0,1,0,0|1,0,0]=3 919 B6R1.11 CC(=O)C1CC1 79965 [1,0,0,1,0,0|0,0,0]=2 920 B6R1.11 C[C@H](N)C1CC1 30876 [1,0,0,1,0,0|1,0,1]=4 921 B6R1.11 C[C@H](N)C1CC1 71703 [1,0,0,1,0,0|1,0,1]=4 922 B6R1.11 C[C@H](N)C1CC1 72740 [1,0,0,1,0,0|1,0,1]=4 923 B6R1.11 C[C@H](N)C1CC1 F11381 [1,0,0,1,0,0|1,0,1]=4 924 B6R1.11 C[C@H](O)C1CC1 W10546 [1,0,0,1,0,0|0,0,2]=4 925 B6R1.11 N=C(N)C1CC1 59460 [1,0,0,1,0,0|2,0,0]=4 926 B6R1.11 N=C(N)C1CC1 W10323 [1,0,0,1,0,0|2,0,0]=4 927 B6R1.11 NC(=O)C1CC1 R10019 [1,0,0,1,0,0|1,0,0]=3 928 B6R1.11 NC(=S)C1CC1 82485 [1,0,0,1,0,0|1,1,0]=4 929 B6R1.11 O=C(Cl)C1CC1 D78023 [1,0,0,1,0,0|1,0,0]=3 930 B6R1.11 O=C(O)C1CC1 44496 [1,0,0,1,0,0|0,0,0]=2 931 B6R1.11 O=C([O-])[C@@H]1CO1 RB3380 [1,0,0,1,0,0|1,0,1]=4 932 B6R1.11 OB(O)C1CC1 68356 [1,0,0,1,0,0|1,0,1]=4 933 B6R1.1 C1=CCNCC1 37471 [1,0,0,1,0,0|2,0,0]=4 934 B6R1.1 C1=CCNCC1 AB7774 [1,0,0,1,0,0|2,0,0]=4 935 B6R1.1 C1=CCOCC1 37905 [1,0,0,1,0,0|2,0,0]=4 936 B6R1.1 C1=COCCC1 D78128 [1,0,0,1,0,0|0,0,1]=3 937 B6R1.1 C1CCNCC1 D77674 [1,0,0,1,0,0|1,0,1]=4 938 B6R1.1 C1CCNNC1 AB2862 [1,0,0,1,0,0|2,0,0]=4 939 B6R1.1 C1CCONC1 72394 [1,0,0,1,0,0|1,0,0]=3 940 B6R1.1 C1CCSCC1 D78391 [1,0,0,1,0,0|0,1,1]=4 941 B6R1.1 C1COCCN1 D70343 [1,0,0,1,0,0|1,0,1]=4 942 B6R1.1 C1COCCN1 D95446 [1,0,0,1,0,0|1,0,1]=4 943 B6R1.1 C1COCCN1 F14226 [1,0,0,1,0,0|1,0,1]=4 944 B6R1.1 C1CSCCO1 D87969 [1,0,0,1,0,0|1,0,1]=4 945 B6R1.6 BrCC1COC1 P12750 [1,0,0,1,0,0|1,0,1]=4 946 B6R1.6 CNC1COC1 32882 [1,0,0,1,0,0|1,0,1]=4 947 B6R1.6 COC1CNC1 34638 [1,0,0,1,0,0|1,0,1]=4 948 B6R1.6 COC1CNC1 63504 [1,0,0,1,0,0|1,0,1]=4 949 B6R1.6 ClCC1COC1 29833 [1,0,0,1,0,0|1,0,1]=4 950 B6R1.6 ICC1COC1 80847 [1,0,0,1,0,0|1,0,1]=4 951 B6R1.6 NCC1COC1 66389 [1,0,0,1,0,0|1,0,1]=4 952 B6R1.6 NCC1COC1 F14274 [1,0,0,1,0,0|1,0,1]=4 953 B6R1.6 OCC1COC1 81312 [1,0,0,1,0,0|1,0,1]=4 954 B8R1.1 C=C[C@@H]1COC(=O)O1 D92787 [0,1,0,1,0,0|0,0,2]=4 955 B8R1.1 CC[C@H]1CCC(=O)O1 AC2069 [0,1,0,1,0,0|1,0,0]=3 956 B8R1.1 N#C[C@H]1CCC(=O)C1 72729 [0,1,0,1,0,0|1,0,1]=4 957 B8R1.1 NC[C@H]1CCC(=O)N1 29046 [0,1,0,1,0,0|2,0,0]=4 958 B8R1.1 O=C1C=C(CBr)CO1 AC1838 [0,1,0,1,0,0|0,0,2]=4 959 B8R1.1 O=C1CC[C@H](CBr)N1 54799 [0,1,0,1,0,0|2,0,0]=4 960 B8R1.1 O=C1CC[C@H](CBr)N1 FD1199 [0,1,0,1,0,0|2,0,0]=4 961 B8R1.1 O=C1CC[C@H](CO)N1 65450 [0,1,0,1,0,0|2,0,0]=4 962 B8R1.1 O=C1CC[C@H](CO)N1 65451 [0,1,0,1,0,0|2,0,0]=4 963 B8R1.1 O=C1CC[C@H](CO)N1 78078 [0,1,0,1,0,0|2,0,0]=4 964 B8R1.1 O=C1CC[C@H](CO)O1 60100 [0,1,0,1,0,0|2,0,0]=4 965 B8R1.1 O=C1CC[C@H](CO)O1 60102 [0,1,0,1,0,0|2,0,0]=4 966 B8R1.1 O=C1NC[C@H](CCl)O1 74052 [0,1,0,1,0,0|2,0,0]=4 967 B8R1.1 O=C1NC[C@H](CCl)O1 D78281 [0,1,0,1,0,0|2,0,0]=4 968 B8R1.1 O=C1NC[C@H](CO)O1 30493 [0,1,0,1,0,0|2,0,0]=4 969 B8R1.1 O=C1OC[C@H](CO)O1 S12081 [0,1,0,1,0,0|1,0,0]=3 970 B8R1.4 CC1=CC(=O)CCC1 S10448 [0,1,0,1,0,0|1,0,0]=3 971 B8R1.4 CC1CC(O)CCO1 32162 [0,1,0,1,0,0|1,0,1]=4 972 B8R1.4 CN1CCCC(=O)C1 25967 [0,1,0,1,0,0|1,0,0]=3 973 B8R1.4 CN1CCNC(=O)C1 23552 [0,1,0,1,0,0|2,0,0]=4 974 B8R1.4 CN1CCOC(=O)C1 70849 [0,1,0,1,0,0|1,0,0]=3 975 B8R1.4 C[C@H]1CC(=O)CCN1 55931 [0,1,0,1,0,0|1,0,0]=3 976 B8R1.4 C[C@H]1CCCC(=O)C1 33413 [0,1,0,1,0,0|1,0,0]=3 977 B8R1.4 C[C@H]1CCCC(=O)N1 P10077 [0,1,0,1,0,0|1,0,0]=3 978 B8R1.4 C[C@H]1CCCC(=O)O1 D90945 [0,1,0,1,0,0|0,0,0]=2 979 B8R1.4 C[C@H]1COCC(=O)N1 88852 [0,1,0,1,0,0|1,0,0]=3 980 B8R1.4 C[C@H]1COCC(=O)N1 88853 [0,1,0,1,0,0|1,0,0]=3 981 B8R1.4 C[C@H]1C[C@@H](O)CCO1 D78943 [0,1,0,1,0,0|1,0,1]=4 982 B8R1.4 NC1=CC(=O)CCC1 30084 [0,1,0,1,0,0|1,0,1]=4 983 B8R1.4 N[C@H]1CCNC(=O)C1 28187 [0,1,0,1,0,0|1,0,0]=3 984 B8R1.4 N[C@H]1CCNC(=O)C1 62308 [0,1,0,1,0,0|1,0,0]=3 985 B8R1.4 O=C1C=C(O)CCC1 D81514 [0,1,0,1,0,0|1,0,1]=4 986 B8R1.4 O=C1CCCC(=O)C1 70018 [0,1,0,1,0,0|1,0,1]=4 987 B8R1.4 O=C1CCCC(=O)N1 F11946 [0,1,0,1,0,0|1,0,1]=4 988 B8R1.4 O=C1CCNC(=O)C1 65248 [0,1,0,1,0,0|1,0,1]=4 989 B8R1.4 O=C1COCC(=O)O1 D90041 [0,1,0,1,0,0|1,0,1]=4 990 B8R1.4 O=C1CSCC(=O)O1 H10798 [0,1,0,1,0,0|1,0,1]=4 991 B8R1.4 O=C1C[C@@H](O)CCN1 68726 [0,1,0,1,0,0|1,0,0]=3 992 B8R1.18 CC1=C(C)OC(=O)O1 28609 [0,1,0,1,0,0|1,0,1]=4 993 B8R1.18 CC1=CC(=O)O[C@@H]1O 24560 [0,1,0,1,0,0|0,0,2]=4 994 B8R1.18 CC1=NN(C)C(=O)C1 F10825 [0,1,0,1,0,0|1,0,1]=4 995 B8R1.18 C[C@@H]1NC(=O)OC1=O 31223 [0,1,0,1,0,0|1,0,1]=4 996 B8R1.18 C[C@H]1CC(=O)NC1=O 64374 [0,1,0,1,0,0|1,0,1]=4 997 B8R1.18 C[C@H]1CC(=O)OC1=O C10641 [0,1,0,1,0,0|0,0,1]=3 998 B8R1.18 O=C1OC(Cl)C(Cl)O1 75975 [0,1,0,1,0,0|2,0,0]=4 999 B8R1.40 NCC(=O)NC1CC1 AB1061 [0,1,0,1,0,0|2,0,0]=4 1000 B8R1.40 O=C(CCl)NC1CC1 F19977 [0,1,0,1,0,0|2,0,0]=4 1001 B8R1.51 CC1(C)CNC(=O)C1 30628 [0,1,0,1,0,0|1,0,0]=3 1002 B8R1.51 C[C@H]1CCS(=O)(=O)C1 F14688 [0,1,0,1,0,0|2,0,0]=4 1003 B8R1.51 C[C@H]1COS(=O)(=O)O1 F18739 [0,1,0,1,0,0|2,0,0]=4 1004 B8R1.51 C[C@H]1COS(=O)(=O)O1 H10841 [0,1,0,1,0,0|2,0,0]=4 1005 B8R1.2 C#CC1=CCCCC1 F14623 [0,1,0,1,0,0|2,0,0]=4 1006 B8R1.2 COC1CCNCC1 29503 [0,1,0,1,0,0|1,0,1]=4 1007 B8R1.2 COC1CCNCC1 30319 [0,1,0,1,0,0|1,0,1]=4 1008 B8R1.2 CO[C@H]1CCCNC1 32736 [0,1,0,1,0,0|1,0,1]=4 1009 B8R1.2 CO[C@H]1CCCNC1 32744 [0,1,0,1,0,0|1,0,1]=4 1010 B8R1.2 CO[C@H]1CCCNC1 37169 [0,1,0,1,0,0|1,0,1]=4 1011 B8R1.2 CO[C@H]1CCCNC1 37171 [0,1,0,1,0,0|1,0,1]=4 1012 B8R1.2 CO[C@H]1CCCNC1 AB7412 [0,1,0,1,0,0|1,0,1]=4 1013 B8R1.2 N#CC1=CCCCC1 D89547 [0,1,0,1,0,0|2,0,0]=4 1014 B8R1.2 N#CC1=CCCCO1 29055 [0,1,0,1,0,0|1,0,1]=4 1015 B8R1.2 NC[C@H]1CCCCO1 29695 [0,1,0,1,0,0|1,0,1]=4 1016 B8R1.2 NO[C@@H]1CCCCO1 FD1322 [0,1,0,1,0,0|0,0,2]=4 1017 B8R1.2 O=CC1=CCCOC1 35550 [0,1,0,1,0,0|2,0,0]=4 1018 B8R1.2 O=CC1=COCCC1 A12341 [0,1,0,1,0,0|2,0,0]=4 1019 B8R1.2 O=CC1CCCCC1 39466 [0,1,0,1,0,0|1,0,1]=4 1020 B8R1.2 O=NN1CCCCC1 D92816 [0,1,0,1,0,0|2,0,0]=4 1021 B8R1.2 OC[C@H]1CCCCO1 P17277 [0,1,0,1,0,0|0,0,2]=4 1022 B8R1.3 CC1=NNC(=O)CC1 20181 [0,1,0,1,0,0|2,0,0]=4 1023 B8R1.3 CC1CCC(=O)CC1 P20542 [0,1,0,1,0,0|1,0,0]=3 1024 B8R1.3 CN1CCC(=O)CC1 67677 [0,1,0,1,0,0|1,0,0]=3 1025 B8R1.3 NC1CCC(=O)CC1 24439 [0,1,0,1,0,0|1,0,0]=3 1026 B8R1.3 N[C@H]1CCC(=O)NC1 P10247 [0,1,0,1,0,0|1,0,0]=3 1027 B8R1.3 O=C1CCC(=O)CC1 F11265 [0,1,0,1,0,0|1,0,1]=4 1028 B8R1.3 O=C1CCC(O)CC1 24546 [0,1,0,1,0,0|1,0,0]=3 1029 B8R1.3 O=C1CC[C@H](O)CN1 62216 [0,1,0,1,0,0|1,0,0]=3 1030 B8R1.3 O=C1CC[C@H](O)CN1 62217 [0,1,0,1,0,0|1,0,0]=3 1031 B8R1.3 O=C1COC(=O)CO1 F20408 [0,1,0,1,0,0|1,0,1]=4 1032 B8R1.5 CC1=NCCCN1C 67669 [0,1,0,1,0,0|2,0,0]=4 1033 B8R1.5 CN1CCCNC1=O F13277 [0,1,0,1,0,0|1,0,0]=3 1034 B8R1.5 CN1CCNCC1=O 26900 [0,1,0,1,0,0|1,0,0]=3 1035 B8R1.5 CN1CCNCC1=O 37505 [0,1,0,1,0,0|1,0,0]=3 1036 B8R1.5 C[C@@H]1NCCNC1=O 20377 [0,1,0,1,0,0|2,0,0]=4 1037 B8R1.5 C[C@@H]1NCCNC1=O 20378 [0,1,0,1,0,0|2,0,0]=4 1038 B8R1.5 C[C@@H]1NCCNC1=O F31149 [0,1,0,1,0,0|2,0,0]=4 1039 B8R1.5 C[C@H]1CCCNC1=O P10093 [0,1,0,1,0,0|1,0,0]=3 1040 B8R1.5 C[C@H]1CNCCC1=O 63757 [0,1,0,1,0,0|1,0,0]=3 1041 B8R1.5 C[C@H]1CNCCC1=O 67436 [0,1,0,1,0,0|1,0,0]=3 1042 B8R1.5 N[C@H]1CCCNC1=O 23329 [0,1,0,1,0,0|1,0,0]=3 1043 B8R1.5 N[C@H]1CCCNC1=O 27952 [0,1,0,1,0,0|1,0,0]=3 1044 B8R1.5 N[C@H]1CCCNC1=O 51547 [0,1,0,1,0,0|1,0,0]=3 1045 B8R1.5 O=C1CCCCC1=O 57324 [0,1,0,1,0,0|1,0,0]=3 1046 B8R1.5 O=C1CCCC[C@@H]1Br 67635 [0,1,0,1,0,0|1,0,0]=3 1047 B8R1.5 O=C1CCCC[C@@H]1Cl AC1582 [0,1,0,1,0,0|1,0,0]=3 1048 B8R1.5 O=C1CCCC[C@@H]1F W17462 [0,1,0,1,0,0|1,0,0]=3 1049 B8R1.5 O=C1CCNC[C@@H]1F 30735 [0,1,0,1,0,0|2,0,0]=4 1050 B8R1.5 O=C1CCOC[C@@H]1F SC3231 [0,1,0,1,0,0|2,0,0]=4 1051 B8R1.22 C=C1OCCCCO1 A10906 [0,1,0,1,0,0|1,0,0]=3 1052 B8R1.22 O=C1C=CCCCC1 S10329 [0,1,0,1,0,0|1,0,0]=3 1053 B8R1.22 O=C1CCCCCN1 D70254 [0,1,0,1,0,0|1,0,0]=3 1054 B8R1.22 O=C1CCCCCO1 D70255 [0,1,0,1,0,0|0,0,0]=2 1055 B8R1.22 O=C1CCCNCC1 VT1100 [0,1,0,1,0,0|1,0,0]=3 1056 B8R1.22 O=C1CCNCCN1 23498 [0,1,0,1,0,0|1,0,0]=3 1057 B8R1.22 O=C1CCOCCN1 F13212 [0,1,0,1,0,0|1,0,0]=3 1058 B8R1.22 O=C1CCSCCN1 W16383 [0,1,0,1,0,0|1,0,0]=3 1059 B8R1.22 O=C1CNCCCN1 71619 [0,1,0,1,0,0|1,0,0]=3 1060 B8R1.22 O=C1CNCCCN1 86465 [0,1,0,1,0,0|1,0,0]=3 1061 B8R1.38 COC(=O)C1CCC1 TD1247 [0,1,0,1,0,0|0,0,0]=2 1062 B8R1.38 COC(=O)C1CNC1 27444 [0,1,0,1,0,0|0,0,0]=2 1063 B8R1.38 COC(=O)[C@@H]1CCN1 63809 [0,1,0,1,0,0|0,0,0]=2 1064 B8R1.38 COC(=O)[C@@H]1CCN1 66102 [0,1,0,1,0,0|0,0,0]=2 1065 B8R1.38 NNC(=O)C1CCC1 P10255 [0,1,0,1,0,0|2,0,0]=4 1066 B8R1.38 O=C(CBr)C1CCC1 P18349 [0,1,0,1,0,0|2,0,0]=4 1067 B8R1.38 O=C(CCl)N1CCC1 71566 [0,1,0,1,0,0|2,0,0]=4 1068 B8R1.50 CC1=C(O)C(=O)CC1 O10798 [0,1,0,1,0,0|2,0,0]=4 1069 B8R1.50 CC1C(=O)CCC1=O P10004 [0,1,0,1,0,0|1,0,1]=4 1070 B8R1.50 CN1C(=O)CC[C@@H]1O 33572 [0,1,0,1,0,0|1,0,0]=3 1071 B8R1.50 CN1CC[C@H](N)C1=O 51273 [0,1,0,1,0,0|1,0,0]=3 1072 B8R1.50 C[C@H]1CCC(=O)N1C D86499 [0,1,0,1,0,0|1,0,0]=3 1073 B8R1.50 C[C@H]1CCN(C)C1=O F18318 [0,1,0,1,0,0|1,0,0]=3 1074 B8R1.50 O=C1COC(=O)[C@H]1Cl D89461 [0,1,0,1,0,0|1,0,1]=4 1075 B8R1.50 O=C1OC[C@H](O)[C@@H]1O S11960 [0,1,0,1,0,0|1,0,0]=3 1076 B8R1.19 CC1(C)CCCC1=O F16056 [0,1,0,1,0,0|1,0,0]=3 1077 B8R1.19 CC1(C)CCOC1=O 20702 [0,1,0,1,0,0|2,0,0]=4 1078 B8R1.19 CN1CCCS1(=O)=O C11322 [0,1,0,1,0,0|2,0,0]=4 1079 B8R1.37 CCOC(=N)C1CC1 AC2329 [0,1,0,1,0,0|1,0,0]=3 1080 B8R1.37 CCOC(=O)C1CC1 FD10459 [0,1,0,1,0,0|0,0,0]=2 1081 B8R1.37 CCOC(=O)[C@@H]1CO1 F30214 [0,1,0,1,0,0|1,0,0]=3 1082 B8R1.37 N#CCC(=O)C1CC1 84151 [0,1,0,1,0,0|1,0,1]=4 1083 B8R1.54 O=C(O)C(=O)C1CC1 36361 [0,1,0,1,0,0|2,0,0]=4 1084 B8R1.8 CCCC1=NCCN1 D92082 [0,1,0,1,0,0|2,0,0]=4 1085 B8R1.8 COC[C@H]1CCCN1 11150 [0,1,0,1,0,0|1,0,1]=4 1086 B8R1.11 C=CN1CCCC1=O AT18510 [0,1,0,1,0,0|1,0,1]=4 1087 B8R1.11 CCN1CCCC1=O A10865 [0,1,0,1,0,0|1,0,0]=3 1088 B8R1.11 CC[C@H]1CCCC1=O D83898 [0,1,0,1,0,0|1,0,0]=3 1089 B8R1.11 N#C[C@H]1CCCC1=O BL000625 [0,1,0,1,0,0|1,0,1]=4 1090 B8R1.11 O=CN1CCCC1=O D93023 [0,1,0,1,0,0|1,0,1]=4 1091 B8R1.39 CC1(C(=O)NN)CC1 F52102 [0,1,0,1,0,0|2,0,0]=4 1092 B8R1.39 COC(=O)C1(Br)CC1 25216 [0,1,0,1,0,0|0,0,0]=2 1093 B8R1.39 COC(=O)C1(N)CC1 30390 [0,1,0,1,0,0|0,0,0]=2 1094 B8R1.39 COC(=O)C1(N)CC1 83405 [0,1,0,1,0,0|0,0,0]=2 1095 B8R1.39 COC(=O)C1(O)CC1 TD8151 [0,1,0,1,0,0|0,0,0]=2 1096 B8R1.39 COC(=O)[C@]1(C)CO1 D76861 [0,1,0,1,0,0|1,0,0]=3 1097 B8R1.72 O=S1(=O)CCCCN1 71476 [0,1,0,1,0,0|2,0,0]=4 1098 B8R1.72 O=S1(=O)CCCCO1 36714 [0,1,0,1,0,0|1,0,0]=3 1099 B8R1.72 O=S1(=O)OCCCO1 F20412 [0,1,0,1,0,0|2,0,0]=4