0 B7R0.7 C(CCl)C(=O)CCCl TS46816 [0,0,0,0,0,0|2,0,0]=2 1 B7R0.7 C(CO)C(=O)CCO TS04717 [0,0,0,0,0,0|2,0,0]=2 2 B7R0.7 C(CS(=O)CCO)O TS06287 [0,0,0,0,0,0|3,0,0]=3 3 B7R0.7 C(NC(=O)NCO)O TS32411 [0,0,0,0,0,0|4,0,0]=4 4 B7R0.7 C(OC(=O)OCCl)Cl TS42012 [0,0,0,0,0,0|4,0,0]=4 5 B7R0.7 CC(CCBr)CCBr TS27082 [0,0,0,0,0,0|3,0,1]=4 6 B7R0.7 CC(CCI)CCI TS78357 [0,0,0,0,0,0|3,0,1]=4 7 B7R0.7 CC(CCO)CCO TS04739 [0,0,0,0,0,0|3,0,1]=4 8 B7R0.7 CCCC(=CCC)C TS31954 [0,0,0,0,0,0|1,0,1]=2 9 B7R0.7 CCCC(=O)CCC TS32100 [0,0,0,0,0,0|0,0,0]=0 10 B7R0.7 CCCC(=O)OC=C TS04453 [0,0,0,0,0,0|1,0,2]=3 11 B7R0.7 CCCC(=O)OCC TS32219 [0,0,0,0,0,0|1,0,0]=1 12 B7R0.7 CCCC(=O)OCCl TS55810 [0,0,0,0,0,0|2,0,0]=2 13 B7R0.7 CCCC(=S)OCC TS05779 [0,0,0,0,0,0|1,1,0]=2 14 B7R0.7 CCCC(=S)OCC TS07488 [0,0,0,0,0,0|1,1,0]=2 15 B7R0.7 CCCC(C)CC=C TS31971 [0,0,0,0,0,0|1,0,3]=4 16 B7R0.7 CCCC(C)CCC TS04512 [0,0,0,0,0,0|1,0,1]=2 17 B7R0.7 CCCC(C)CCO TS32249 [0,0,0,0,0,0|2,0,1]=3 18 B7R0.7 CCCC(C)OCC TS32250 [0,0,0,0,0,0|2,0,1]=3 19 B7R0.7 CCCC(C=CC)O TS04465 [0,0,0,0,0,0|0,0,4]=4 20 B7R0.7 CCCC(CC=C)O TS04466 [0,0,0,0,0,0|0,0,4]=4 21 B7R0.7 CCCC(CCC)Br TS14339 [0,0,0,0,0,0|1,0,1]=2 22 B7R0.7 CCCC(CCC)Cl TS36889 [0,0,0,0,0,0|1,0,1]=2 23 B7R0.7 CCCC(CCC)N TS02992 [0,0,0,0,0,0|1,0,1]=2 24 B7R0.7 CCCC(CCC)O TS04625 [0,0,0,0,0,0|0,0,2]=2 25 B7R0.7 CCCC(CCC)[Zn+] TS62077 [0,0,0,0,0,0|1,0,1]=2 26 B7R0.7 CCCC(CCO)S TS36876 [0,0,0,0,0,0|1,1,1]=3 27 B7R0.7 CCCN(C)CCC TS04549 [0,0,0,0,0,0|2,0,0]=2 28 B7R0.7 CCCS(=O)CCC TS36875 [0,0,0,0,0,0|1,0,0]=1 29 B7R0.7 CCC[C@@H](C)CCO TS32231 [0,0,0,0,0,0|2,0,1]=3 30 B7R0.7 CCNC(=O)NCC TS04609 [0,0,0,0,0,0|2,0,0]=2 31 B7R0.7 CCNC(=O)OCC TS04671 [0,0,0,0,0,0|2,0,0]=2 32 B7R0.7 CCNC(=S)NCC TS05780 [0,0,0,0,0,0|2,1,0]=3 33 B7R0.7 CCOC(=C)OCC TS56207 [0,0,0,0,0,0|3,0,0]=3 34 B7R0.7 CCOC(=O)C#CC TS08727 [0,0,0,0,0,0|1,0,2]=3 35 B7R0.7 CCOC(=O)C=CC TS04436 [0,0,0,0,0,0|1,0,2]=3 36 B7R0.7 CCOC(=O)C=CI TS52258 [0,0,0,0,0,0|2,0,2]=4 37 B7R0.7 CCOC(=O)C=[N+]=[N-] TS77133 [0,0,0,0,0,0|3,0,1]=4 38 B7R0.7 CCOC(=O)CC#C TS31911 [0,0,0,0,0,0|1,0,2]=3 39 B7R0.7 CCOC(=O)CC#N TS32007 [0,0,0,0,0,0|2,0,1]=3 40 B7R0.7 CCOC(=O)CC=C TS04444 [0,0,0,0,0,0|1,0,2]=3 41 B7R0.7 CCOC(=O)CCBr TS08511 [0,0,0,0,0,0|2,0,0]=2 42 B7R0.7 CCOC(=O)CCCl TS66003 [0,0,0,0,0,0|2,0,0]=2 43 B7R0.7 CCOC(=O)CCI TS56139 [0,0,0,0,0,0|2,0,0]=2 44 B7R0.7 CCOC(=O)CCN TS01886 [0,0,0,0,0,0|2,0,0]=2 45 B7R0.7 CCOC(=O)CCN TS04667 [0,0,0,0,0,0|2,0,0]=2 46 B7R0.7 CCOC(=O)CCS TS05923 [0,0,0,0,0,0|2,0,0]=2 47 B7R0.7 CCOC(=O)CC[Zn+] TS62340 [0,0,0,0,0,0|2,0,0]=2 48 B7R0.7 CCOC(=O)CNC TS01479 [0,0,0,0,0,0|2,0,0]=2 49 B7R0.7 CCOC(=O)CNN TS56149 [0,0,0,0,0,0|3,0,0]=3 50 B7R0.7 CCOC(=O)COC TS32327 [0,0,0,0,0,0|2,0,0]=2 51 B7R0.7 CCOC(=O)CSC TS05917 [0,0,0,0,0,0|2,0,0]=2 52 B7R0.7 CCOC(=O)C[N+]#[C-] TS01459 [0,0,0,0,0,0|2,0,1]=3 53 B7R0.7 CCOC(=O)N=C=O TS08726 [0,0,0,0,0,0|3,0,1]=4 54 B7R0.7 CCOC(=O)N=C=S TS08471 [0,0,0,0,0,0|3,0,1]=4 55 B7R0.7 CCOC(=O)NOC TS32378 [0,0,0,0,0,0|3,0,0]=3 56 B7R0.7 CCOC(=O)OCC TS32315 [0,0,0,0,0,0|2,0,0]=2 57 B7R0.7 CCOC(=O)OCCl TS37245 [0,0,0,0,0,0|3,0,0]=3 58 B7R0.7 CCOC(C)OCC TS04742 [0,0,0,0,0,0|3,0,1]=4 59 B7R0.7 CCOC(OCC)[SiH3] TS36880 [0,0,0,0,0,0|3,0,1]=4 60 B7R0.7 CCOP(C)OCC TS36977 [0,0,0,0,0,0|4,0,0]=4 61 B7R0.7 CCOP(OCC)Cl TS10785 [0,0,0,0,0,0|4,0,0]=4 62 B7R0.7 CCOP([O-])OCC TS01437 [0,0,0,0,0,0|3,0,1]=4 63 B7R0.7 CCOS(=O)OCC TS06288 [0,0,0,0,0,0|3,0,0]=3 64 B7R0.7 CCSC(=O)SCC TS40933 [0,0,0,0,0,0|2,0,0]=2 65 B7R0.7 CN(CCN)CCN TS32301 [0,0,0,0,0,0|4,0,0]=4 66 B7R0.7 CN(CCO)CCO TS04786 [0,0,0,0,0,0|4,0,0]=4 67 B7R0.7 COCC(COC)O TS59495 [0,0,0,0,0,0|2,0,2]=4 68 B7R0.7 CSCC(CSC)O TS10235 [0,0,0,0,0,0|2,0,2]=4 69 B6R0.1 C(C(=O)NCO)Cl TS64943 [1,0,0,0,0,0|3,0,0]=4 70 B6R0.1 C(C(=O)OCO)N TS05233 [1,0,0,0,0,0|3,0,0]=4 71 B6R0.1 C(CN)C(=O)CN TS13627 [1,0,0,0,0,0|2,0,0]=3 72 B6R0.1 C(CO)C(=O)CN TS37313 [1,0,0,0,0,0|2,0,0]=3 73 B6R0.1 CC#CC(=O)OC TS03761 [1,0,0,0,0,0|1,0,2]=4 74 B6R0.1 CC=C(C)CCO TS03864 [1,0,0,0,0,0|2,0,1]=4 75 B6R0.1 CC=CC(=O)OC TS56315 [1,0,0,0,0,0|1,0,2]=4 76 B6R0.1 CCC(=O)C=CC TS31436 [1,0,0,0,0,0|0,0,2]=3 77 B6R0.1 CCC(=O)CC#N TS31393 [1,0,0,0,0,0|1,0,1]=3 78 B6R0.1 CCC(=O)CSC TS32357 [1,0,0,0,0,0|1,0,0]=2 79 B6R0.1 CCC(=O)NCC TS03904 [1,0,0,0,0,0|1,0,0]=2 80 B6R0.1 CCC(=O)OC=C TS31498 [1,0,0,0,0,0|1,0,2]=4 81 B6R0.1 CCC(=O)OCC TS03938 [1,0,0,0,0,0|1,0,0]=2 82 B6R0.1 CCC(=O)SCC TS32362 [1,0,0,0,0,0|1,0,0]=2 83 B6R0.1 CCC(C)CCBr TS42853 [1,0,0,0,0,0|2,0,1]=4 84 B6R0.1 CCC(C)CCO TS31615 [1,0,0,0,0,0|2,0,1]=4 85 B6R0.1 CCC(C)SCC TS04755 [1,0,0,0,0,0|2,0,1]=4 86 B6R0.1 CCC(CCN)N TS03976 [1,0,0,0,0,0|2,0,1]=4 87 B6R0.1 CCC(COC)N TS04013 [1,0,0,0,0,0|2,0,1]=4 88 B6R0.1 CCC(COC)O TS04038 [1,0,0,0,0,0|1,0,2]=4 89 B6R0.1 CCCC(=C)C=O TS31425 [1,0,0,0,0,0|2,0,1]=4 90 B6R0.1 CCCC(=C)CC TS03794 [1,0,0,0,0,0|1,0,0]=2 91 B6R0.1 CCCC(=CC)C TS31455 [1,0,0,0,0,0|1,0,1]=3 92 B6R0.1 CCCC(=O)CC TS31522 [1,0,0,0,0,0|0,0,0]=1 93 B6R0.1 CCCC(=O)NN TS31598 [1,0,0,0,0,0|2,0,0]=3 94 B6R0.1 CCCC(=O)OC TS03955 [1,0,0,0,0,0|1,0,0]=2 95 B6R0.1 CCCC(=S)OC TS32358 [1,0,0,0,0,0|1,1,0]=3 96 B6R0.1 CCCC(C)CBr TS42857 [1,0,0,0,0,0|2,0,1]=4 97 B6R0.1 CCCC(C)CC TS03886 [1,0,0,0,0,0|1,0,1]=3 98 B6R0.1 CCCC(C)CO TS39282 [1,0,0,0,0,0|2,0,1]=4 99 B6R0.1 CCCC(C)NC TS03920 [1,0,0,0,0,0|2,0,1]=4 100 B6R0.1 CCCC(CBr)Br TS52925 [1,0,0,0,0,0|2,0,1]=4 101 B6R0.1 CCCC(CC)Br TS42856 [1,0,0,0,0,0|1,0,1]=3 102 B6R0.1 CCCC(CC)Cl TS04841 [1,0,0,0,0,0|1,0,1]=3 103 B6R0.1 CCCC(CC)I TS44109 [1,0,0,0,0,0|1,0,1]=3 104 B6R0.1 CCCC(CC)N TS31564 [1,0,0,0,0,0|1,0,1]=3 105 B6R0.1 CCCC(CC)O TS31611 [1,0,0,0,0,0|0,0,2]=3 106 B6R0.1 CCCC(CC)S TS40939 [1,0,0,0,0,0|0,1,1]=3 107 B6R0.1 CCCC(CC)[Zn+] TS24971 [1,0,0,0,0,0|1,0,1]=3 108 B6R0.1 CCCC(CCl)Cl TS06553 [1,0,0,0,0,0|2,0,1]=4 109 B6R0.1 CCCC(CO)O TS04026 [1,0,0,0,0,0|1,0,2]=4 110 B6R0.1 CCC[C@@H](CO)N TS04002 [1,0,0,0,0,0|2,0,1]=4 111 B6R0.1 CCC[C@@H](CO)O TS04042 [1,0,0,0,0,0|1,0,2]=4 112 B6R0.1 CCC[C@H](CO)N TS04000 [1,0,0,0,0,0|2,0,1]=4 113 B6R0.1 CCNC(=O)C=C TS03826 [1,0,0,0,0,0|1,0,2]=4 114 B6R0.1 CCNC(=O)CCl TS04876 [1,0,0,0,0,0|2,0,0]=3 115 B6R0.1 CCNC(=O)OC TS31636 [1,0,0,0,0,0|2,0,0]=3 116 B6R0.1 CCOC(=O)C#C TS03762 [1,0,0,0,0,0|1,0,2]=4 117 B6R0.1 CCOC(=O)C#N TS31469 [1,0,0,0,0,0|2,0,1]=4 118 B6R0.1 CCOC(=O)C=C TS33216 [1,0,0,0,0,0|1,0,2]=4 119 B6R0.1 CCOC(=O)C=O TS56148 [1,0,0,0,0,0|2,0,1]=4 120 B6R0.1 CCOC(=O)CBr TS56141 [1,0,0,0,0,0|2,0,0]=3 121 B6R0.1 CCOC(=O)CCl TS39825 [1,0,0,0,0,0|2,0,0]=3 122 B6R0.1 CCOC(=O)CF TS65215 [1,0,0,0,0,0|2,0,0]=3 123 B6R0.1 CCOC(=O)CN TS31646 [1,0,0,0,0,0|2,0,0]=3 124 B6R0.1 CCOC(=O)CN TS33221 [1,0,0,0,0,0|2,0,0]=3 125 B6R0.1 CCOC(=O)CO TS56147 [1,0,0,0,0,0|2,0,0]=3 126 B6R0.1 CCOC(=O)CS TS01466 [1,0,0,0,0,0|2,0,0]=3 127 B6R0.1 CCOC(=O)NC TS31637 [1,0,0,0,0,0|2,0,0]=3 128 B6R0.1 CCOC(=O)NN TS59780 [1,0,0,0,0,0|3,0,0]=4 129 B6R0.1 CCOC(=O)NO TS04067 [1,0,0,0,0,0|3,0,0]=4 130 B6R0.1 CCOC(=O)OC TS31662 [1,0,0,0,0,0|2,0,0]=3 131 B6R0.1 CC[C@H](C)CCBr TS42859 [1,0,0,0,0,0|2,0,1]=4 132 B6R0.1 CC[C@H](C)CCO TS31612 [1,0,0,0,0,0|2,0,1]=4 133 B6R0.1 CNC(=O)CC#N TS55304 [1,0,0,0,0,0|2,0,1]=4 134 B6R0.1 CNCC(=O)OC TS01682 [1,0,0,0,0,0|2,0,0]=3 135 B6R0.1 COC(=O)CC#N TS31466 [1,0,0,0,0,0|2,0,1]=4 136 B6R0.1 COC(=O)CC=C TS31502 [1,0,0,0,0,0|1,0,2]=4 137 B6R0.1 COC(=O)CCBr TS56269 [1,0,0,0,0,0|2,0,0]=3 138 B6R0.1 COC(=O)CCCl TS04939 [1,0,0,0,0,0|2,0,0]=3 139 B6R0.1 COC(=O)CCN TS08577 [1,0,0,0,0,0|2,0,0]=3 140 B6R0.1 COC(=O)CCO TS65233 [1,0,0,0,0,0|2,0,0]=3 141 B6R0.1 COC(=O)CCS TS04824 [1,0,0,0,0,0|2,0,0]=3 142 B6R0.1 COC(=O)CSC TS39398 [1,0,0,0,0,0|2,0,0]=3 143 B6R0.1 COC(=O)C[N+]#[C-] TS31464 [1,0,0,0,0,0|2,0,1]=4 144 B6R0.1 COCC(=O)OC TS39892 [1,0,0,0,0,0|2,0,0]=3 145 B6R0.6 C(CBr)OCCBr TS08788 [1,0,0,0,0,0|3,0,0]=4 146 B6R0.6 C(CCBr)CCBr TS07888 [1,0,0,0,0,0|2,0,1]=4 147 B6R0.6 C(CCCl)CCBr TS48788 [1,0,0,0,0,0|2,0,1]=4 148 B6R0.6 C(CCCl)CCCl TS06550 [1,0,0,0,0,0|2,0,1]=4 149 B6R0.6 C(CCCl)CCI TS53384 [1,0,0,0,0,0|2,0,1]=4 150 B6R0.6 C(CCCl)CC[Zn+] TS28126 [1,0,0,0,0,0|2,0,1]=4 151 B6R0.6 C(CCI)CCI TS77462 [1,0,0,0,0,0|2,0,1]=4 152 B6R0.6 C(CCN)CCN TS03978 [1,0,0,0,0,0|2,0,1]=4 153 B6R0.6 C(CCN)CCN TS45899 [1,0,0,0,0,0|2,0,1]=4 154 B6R0.6 C(CCN)CCO TS04006 [1,0,0,0,0,0|2,0,1]=4 155 B6R0.6 C(CCO)CCBr TS09812 [1,0,0,0,0,0|2,0,1]=4 156 B6R0.6 C(CCO)CCCl TS71520 [1,0,0,0,0,0|2,0,1]=4 157 B6R0.6 C(CCO)CCO TS46820 [1,0,0,0,0,0|2,0,1]=4 158 B6R0.6 C(CCS)CCS TS37065 [1,0,0,0,0,0|2,0,1]=4 159 B6R0.6 C(CCl)NCCCl TS55773 [1,0,0,0,0,0|3,0,0]=4 160 B6R0.6 C(CCl)OCCCl TS00044 [1,0,0,0,0,0|3,0,0]=4 161 B6R0.6 C(CI)OCCI TS63369 [1,0,0,0,0,0|3,0,0]=4 162 B6R0.6 C(CNCCN)N TS04014 [1,0,0,0,0,0|3,0,0]=4 163 B6R0.6 C(CNCCO)N TS00063 [1,0,0,0,0,0|3,0,0]=4 164 B6R0.6 C(CO)NCCO TS04076 [1,0,0,0,0,0|3,0,0]=4 165 B6R0.6 C(CO)NCCO TS37530 [1,0,0,0,0,0|3,0,0]=4 166 B6R0.6 C(CO)NCCO TS76269 [1,0,0,0,0,0|3,0,0]=4 167 B6R0.6 C(COCCCl)O TS36027 [1,0,0,0,0,0|3,0,0]=4 168 B6R0.6 C(COCCN)N TS04047 [1,0,0,0,0,0|3,0,0]=4 169 B6R0.6 C(COCCN)N TS47125 [1,0,0,0,0,0|3,0,0]=4 170 B6R0.6 C(COCCO)N TS04075 [1,0,0,0,0,0|3,0,0]=4 171 B6R0.6 C(COCCO)O TS01431 [1,0,0,0,0,0|3,0,0]=4 172 B6R0.6 C(COCCS)O TS32524 [1,0,0,0,0,0|3,0,0]=4 173 B6R0.6 C(CS)OCCS TS37236 [1,0,0,0,0,0|3,0,0]=4 174 B6R0.6 C(CSCCN)N TS32436 [1,0,0,0,0,0|3,0,0]=4 175 B6R0.6 C(CSCCO)N TS04873 [1,0,0,0,0,0|3,0,0]=4 176 B6R0.6 C(CSCCO)O TS32771 [1,0,0,0,0,0|3,0,0]=4 177 B6R0.6 C(CSCCS)S TS10516 [1,0,0,0,0,0|3,0,0]=4 178 B6R0.6 CCC#COCC TS31433 [1,0,0,0,0,0|1,0,2]=4 179 B6R0.6 CCC=CCC=O TS31443 [1,0,0,0,0,0|1,0,2]=4 180 B6R0.6 CCC=CCCO TS31511 [1,0,0,0,0,0|1,0,1]=3 181 B6R0.6 CCC=CCCO TS31515 [1,0,0,0,0,0|1,0,1]=3 182 B6R0.6 CCCC#CCC TS03730 [1,0,0,0,0,0|0,0,2]=3 183 B6R0.6 CCCC=CC=O TS31421 [1,0,0,0,0,0|1,0,2]=4 184 B6R0.6 CCCC=CC=O TS31438 [1,0,0,0,0,0|1,0,2]=4 185 B6R0.6 CCCC=CC=O TS31444 [1,0,0,0,0,0|1,0,2]=4 186 B6R0.6 CCCC=CCO TS03865 [1,0,0,0,0,0|1,0,1]=3 187 B6R0.6 CCCCC#CC TS03724 [1,0,0,0,0,0|0,0,3]=4 188 B6R0.6 CCCCC=CC TS03803 [1,0,0,0,0,0|0,0,3]=4 189 B6R0.6 CCCCCC#C TS03726 [1,0,0,0,0,0|0,0,3]=4 190 B6R0.6 CCCCCC#N TS31405 [1,0,0,0,0,0|1,0,2]=4 191 B6R0.6 CCCCCC=C TS31453 [1,0,0,0,0,0|0,0,3]=4 192 B6R0.6 CCCCCC=O TS39877 [1,0,0,0,0,0|1,0,2]=4 193 B6R0.6 CCCCCCBr TS00036 [1,0,0,0,0,0|1,0,1]=3 194 B6R0.6 CCCCCCC TS03885 [1,0,0,0,0,0|0,0,1]=2 195 B6R0.6 CCCCCCCl TS04842 [1,0,0,0,0,0|1,0,1]=3 196 B6R0.6 CCCCCCF TS31676 [1,0,0,0,0,0|1,0,1]=3 197 B6R0.6 CCCCCCI TS93973 [1,0,0,0,0,0|1,0,1]=3 198 B6R0.6 CCCCCCN TS31561 [1,0,0,0,0,0|1,0,1]=3 199 B6R0.6 CCCCCCN TS37145 [1,0,0,0,0,0|1,0,1]=3 200 B6R0.6 CCCCCCO TS39881 [1,0,0,0,0,0|1,0,1]=3 201 B6R0.6 CCCCCCS TS04753 [1,0,0,0,0,0|1,0,1]=3 202 B6R0.6 CCCCCC[SiH3] TS04643 [1,0,0,0,0,0|0,1,1]=3 203 B6R0.6 CCCCCC[Zn+] TS24970 [1,0,0,0,0,0|1,0,1]=3 204 B6R0.6 CCCCCNC TS03916 [1,0,0,0,0,0|1,0,1]=3 205 B6R0.6 CCCCCNN TS06331 [1,0,0,0,0,0|2,0,1]=4 206 B6R0.6 CCCCCSC TS04750 [1,0,0,0,0,0|1,0,1]=3 207 B6R0.6 CCCCC[Mg]Cl TS36578 [1,0,0,0,0,0|2,0,1]=4 208 B6R0.6 CCCCNCC TS03925 [1,0,0,0,0,0|1,0,1]=3 209 B6R0.6 CCCCOCC TS03964 [1,0,0,0,0,0|1,0,1]=3 210 B6R0.6 CCCCOCCl TS04949 [1,0,0,0,0,0|2,0,1]=4 211 B6R0.6 CCCCSCC TS04749 [1,0,0,0,0,0|1,0,1]=3 212 B6R0.6 CCCNCCC TS39857 [1,0,0,0,0,0|1,0,0]=2 213 B6R0.6 CCCNCCN TS03973 [1,0,0,0,0,0|2,0,0]=3 214 B6R0.6 CCCNCCO TS04001 [1,0,0,0,0,0|2,0,0]=3 215 B6R0.6 CCCOCCC TS03967 [1,0,0,0,0,0|1,0,0]=2 216 B6R0.6 CCCOCCC TS49356 [1,0,0,0,0,0|1,0,0]=2 217 B6R0.6 CCCOCCCl TS04951 [1,0,0,0,0,0|2,0,0]=3 218 B6R0.6 CCCOCCN TS04012 [1,0,0,0,0,0|2,0,0]=3 219 B6R0.6 CCCSC=CC TS04637 [1,0,0,0,0,0|1,0,2]=4 220 B6R0.6 CCCSCC=C TS04636 [1,0,0,0,0,0|1,0,2]=4 221 B6R0.6 CCCSCCC TS04756 [1,0,0,0,0,0|1,0,0]=2 222 B6R0.6 CCCSCCO TS32433 [1,0,0,0,0,0|2,0,0]=3 223 B6R0.6 CCCSSCC TS37066 [1,0,0,0,0,0|2,0,0]=3 224 B6R0.6 CCCSSSC TS10513 [1,0,0,0,0,0|3,0,0]=4 225 B6R0.6 CCC[Hg]CCC TS35002 [1,0,0,0,0,0|1,0,0]=2 226 B6R0.6 CCNCCCN TS03975 [1,0,0,0,0,0|2,0,1]=4 227 B6R0.6 CCNCCNC TS03972 [1,0,0,0,0,0|2,0,1]=4 228 B6R0.6 CCOCCCBr TS12340 [1,0,0,0,0,0|2,0,1]=4 229 B6R0.6 CCOCCCCl TS04950 [1,0,0,0,0,0|2,0,1]=4 230 B6R0.6 CCOCCCN TS04010 [1,0,0,0,0,0|2,0,1]=4 231 B6R0.6 CCOCCCO TS04028 [1,0,0,0,0,0|2,0,1]=4 232 B6R0.6 CCOCCOC TS04027 [1,0,0,0,0,0|2,0,1]=4 233 B6R0.6 CCOCOCC TS74492 [1,0,0,0,0,0|2,0,1]=4 234 B6R0.6 CCSCCCO TS32432 [1,0,0,0,0,0|2,0,1]=4 235 B6R0.6 CCSSSCC TS10514 [1,0,0,0,0,0|3,0,0]=4 236 B6R0.6 CNCCCNC TS56351 [1,0,0,0,0,0|2,0,1]=4 237 B6R0.6 COCCCCBr TS03145 [1,0,0,0,0,0|2,0,1]=4 238 B6R0.6 COCCCCCl TS39592 [1,0,0,0,0,0|2,0,1]=4 239 B6R0.6 COCCCCO TS07977 [1,0,0,0,0,0|2,0,1]=4 240 B6R0.6 COCOCCBr TS44958 [1,0,0,0,0,0|3,0,0]=4 241 B6R0.6 CSCCCCO TS32429 [1,0,0,0,0,0|2,0,1]=4 242 B6R0.6 CSCCCSC TS37067 [1,0,0,0,0,0|2,0,1]=4 243 B6R0.6 [Li]CCCCCC TS03654 [1,0,0,0,0,0|1,0,1]=3 244 B8R0.1 C(CS)C(=O)OCCO TS40886 [0,1,0,0,0,0|2,0,0]=3 245 B8R0.1 CCC#CC(=O)OCC TS36115 [0,1,0,0,0,0|1,0,1]=3 246 B8R0.1 CCCC(=O)OCC=C TS05341 [0,1,0,0,0,0|0,0,2]=3 247 B8R0.1 CCCC(=O)OCCC TS05549 [0,1,0,0,0,0|0,0,0]=1 248 B8R0.1 CCCC(=O)OCSC TS07493 [0,1,0,0,0,0|1,0,0]=2 249 B8R0.1 CCCC(C)CCCO TS36530 [0,1,0,0,0,0|1,0,1]=3 250 B8R0.1 CCCCC(=O)C=CC TS05182 [0,1,0,0,0,0|0,0,2]=3 251 B8R0.1 CCCCC(=O)CCC TS36329 [0,1,0,0,0,0|0,0,0]=1 252 B8R0.1 CCCCC(=O)OC=C TS05348 [0,1,0,0,0,0|1,0,2]=4 253 B8R0.1 CCCCC(=O)OCC TS36495 [0,1,0,0,0,0|1,0,0]=2 254 B8R0.1 CCCCC(C)CCC TS05416 [0,1,0,0,0,0|1,0,1]=3 255 B8R0.1 CCCCC(C)CCO TS05597 [0,1,0,0,0,0|2,0,1]=4 256 B8R0.1 CCCCC(CCC)Br TS51606 [0,1,0,0,0,0|1,0,1]=3 257 B8R0.1 CCCCC(CCC)Cl TS07522 [0,1,0,0,0,0|1,0,1]=3 258 B8R0.1 CCCCC(CCC)I TS26461 [0,1,0,0,0,0|1,0,1]=3 259 B8R0.1 CCCCC(CCC)O TS36547 [0,1,0,0,0,0|0,0,2]=3 260 B8R0.1 CCCCN(C)CCN TS05610 [0,1,0,0,0,0|3,0,0]=4 261 B8R0.1 CCCC[C@@H](C)CCO TS36538 [0,1,0,0,0,0|2,0,1]=4 262 B8R0.1 CCCOC(=O)C=CC TS05345 [0,1,0,0,0,0|0,0,2]=3 263 B8R0.1 CCCOC(=O)CC#N TS36217 [0,1,0,0,0,0|1,0,1]=3 264 B8R0.1 CCOC(=O)C=CCBr TS51583 [0,1,0,0,0,0|1,0,2]=4 265 B8R0.1 CCOC(=O)CCC=C TS05344 [0,1,0,0,0,0|1,0,1]=3 266 B8R0.1 CCOC(=O)CCC=O TS94704 [0,1,0,0,0,0|1,0,1]=3 267 B8R0.1 CCOC(=O)CCCBr TS16550 [0,1,0,0,0,0|1,0,0]=2 268 B8R0.1 CCOC(=O)CCCCl TS93676 [0,1,0,0,0,0|1,0,0]=2 269 B8R0.1 CCOC(=O)CCCN TS43285 [0,1,0,0,0,0|1,0,0]=2 270 B8R0.1 CCOC(=O)CCC[Zn+] TS68422 [0,1,0,0,0,0|1,0,0]=2 271 B8R0.1 CCOC(=O)CN=C=O TS05435 [0,1,0,0,0,0|2,0,1]=4 272 B8R0.1 CCOC(=O)CN=C=S TS40312 [0,1,0,0,0,0|2,0,1]=4 273 B8R0.1 CCOC(=O)CN=[N+]=[N-] TS05441 [0,1,0,0,0,0|3,0,0]=4 274 B8R0.1 CCOC(=O)CNC=O TS05641 [0,1,0,0,0,0|2,0,1]=4 275 B8R0.1 CCOC(=O)OCC=C TS05516 [0,1,0,0,0,0|1,0,2]=4 276 B8R0.1 CCOCC(=O)OCC TS05732 [0,1,0,0,0,0|1,0,0]=2 277 B8R0.1 CCOCC(C)OCC TS05764 [0,1,0,0,0,0|2,0,1]=4 278 B8R0.1 CN(CCCN)CCO TS36698 [0,1,0,0,0,0|3,0,0]=4 279 B8R0.3 CCC(C(=O)OCC)Br TS51943 [0,1,0,0,0,0|1,0,0]=2 280 B8R0.3 CCC(C(=O)OCC)N TS05659 [0,1,0,0,0,0|1,0,0]=2 281 B8R0.3 CCC(C(=O)OCC)O TS05723 [0,1,0,0,0,0|1,0,0]=2 282 B8R0.3 CCC(C)C(=O)C=CC TS05192 [0,1,0,0,0,0|0,0,2]=3 283 B8R0.3 CCC(C)C(=O)OCC TS36496 [0,1,0,0,0,0|1,0,0]=2 284 B8R0.3 CCC=C(C)C(CC)O TS36335 [0,1,0,0,0,0|1,0,1]=3 285 B8R0.3 CCCC(=O)C(C)CC TS36333 [0,1,0,0,0,0|0,0,0]=1 286 B8R0.3 CCCC(C(C)CC)O TS36557 [0,1,0,0,0,0|0,0,2]=3 287 B8R0.3 CCCC(C)C(C)CC TS05420 [0,1,0,0,0,0|1,0,1]=3 288 B8R0.3 CCCC(C)C(CC)O TS36549 [0,1,0,0,0,0|1,0,1]=3 289 B8R0.3 CCOC(=O)C(=C)CBr TS00209 [0,1,0,0,0,0|2,0,1]=4 290 B8R0.3 CCOC(=O)C(=C)CCl TS40705 [0,1,0,0,0,0|2,0,1]=4 291 B8R0.3 CCOC(=O)C(=C)CO TS08483 [0,1,0,0,0,0|2,0,1]=4 292 B8R0.3 CCOC(=O)C(=CC)C TS05350 [0,1,0,0,0,0|1,0,2]=4 293 B8R0.3 CCOC(=O)C(=O)CBr TS56142 [0,1,0,0,0,0|2,0,1]=4 294 B8R0.3 CCOC(=O)C(C#C)O TS36268 [0,1,0,0,0,0|1,0,2]=4 295 B8R0.3 CCOC(=O)C(C)C#N TS55919 [0,1,0,0,0,0|2,0,1]=4 296 B8R0.3 CCOC(=O)C(CBr)Br TS08484 [0,1,0,0,0,0|2,0,0]=3 297 B8R0.3 CCOC(=O)C(CCl)Cl TS12952 [0,1,0,0,0,0|2,0,0]=3 298 B8R0.3 CCOC(=O)[C@@H](CO)N TS45049 [0,1,0,0,0,0|2,0,0]=3 299 B8R0.3 CCOC(=O)[C@H](C)OC TS05726 [0,1,0,0,0,0|2,0,0]=3 300 B8R0.3 CCOC(=O)[C@H](CO)N TS45053 [0,1,0,0,0,0|2,0,0]=3 301 B8R0.3 CCOC(=O)[C@H](CS)N TS15539 [0,1,0,0,0,0|2,0,0]=3 302 B8R0.5 CC(C)NC(=O)CC#N TS36132 [0,1,0,0,0,0|2,0,1]=4 303 B8R0.5 CC(C)OC(=O)CC#N TS36220 [0,1,0,0,0,0|2,0,1]=4 304 B8R0.5 CC(C)OC(=O)CCS TS05774 [0,1,0,0,0,0|2,0,0]=3 305 B8R0.5 CC(C)OC(=O)OCCl TS64904 [0,1,0,0,0,0|3,0,0]=4 306 B8R0.5 CCCC(=O)CC(C)C TS05373 [0,1,0,0,0,0|0,0,0]=1 307 B8R0.5 CCCC(=O)OC(C)C TS05550 [0,1,0,0,0,0|1,0,0]=2 308 B8R0.5 CCCC(C)CC(=C)C TS36185 [0,1,0,0,0,0|1,0,2]=4 309 B8R0.5 CCCC(C)CC(=O)C TS05394 [0,1,0,0,0,0|1,0,2]=4 310 B8R0.5 CCCC(C)CC(C)C TS05407 [0,1,0,0,0,0|1,0,1]=3 311 B8R0.5 CCCC(C)CC(C)O TS05587 [0,1,0,0,0,0|1,0,1]=3 312 B8R0.5 CCCC(CC(C)C)O TS36545 [0,1,0,0,0,0|0,0,2]=3 313 B8R0.5 CCNC(=O)CC(=O)C TS05458 [0,1,0,0,0,0|1,0,1]=3 314 B8R0.5 CCOC(=O)C=C(C)C TS32816 [0,1,0,0,0,0|1,0,2]=4 315 B8R0.5 CCOC(=O)CC(=O)C TS41089 [0,1,0,0,0,0|1,0,1]=3 316 B8R0.5 CCOC(=O)CC(=O)C TS59779 [0,1,0,0,0,0|1,0,1]=3 317 B8R0.5 CCOC(=O)CC(=O)N TS01462 [0,1,0,0,0,0|2,0,1]=4 318 B8R0.5 CCOC(=O)CC(=O)O TS39886 [0,1,0,0,0,0|2,0,1]=4 319 B8R0.5 CCOC(=O)CC(=S)N TS07360 [0,1,0,0,0,0|2,0,1]=4 320 B8R0.5 CCOC(=O)CC(C)Br TS51949 [0,1,0,0,0,0|1,0,0]=2 321 B8R0.5 CCOC(=O)CC(C)C TS05548 [0,1,0,0,0,0|1,0,0]=2 322 B8R0.5 CCOC(=O)CC(C)N TS32698 [0,1,0,0,0,0|1,0,0]=2 323 B8R0.5 CCOC(=O)CC(C)O TS36658 [0,1,0,0,0,0|1,0,0]=2 324 B8R0.5 CCOC(=O)CN(C)C TS05660 [0,1,0,0,0,0|2,0,0]=3 325 B8R0.5 CCOC(=O)C[C@@H](C)O TS05718 [0,1,0,0,0,0|1,0,0]=2 326 B8R0.5 CCOC(=O)C[N+](=O)[O-] TS01470 [0,1,0,0,0,0|3,0,0]=4 327 B8R0.5 CCOC(=O)C[S+](C)C TS52804 [0,1,0,0,0,0|2,0,0]=3 328 B8R0.5 CCOC(=O)NC(=O)C TS05638 [0,1,0,0,0,0|2,0,1]=4 329 B8R0.5 CCOC(=O)OC(C)Cl TS10246 [0,1,0,0,0,0|2,0,0]=3 330 B8R0.22 C(CO)N(CCO)N=O TS36802 [0,1,0,0,0,0|3,0,0]=4 331 B8R0.22 CCCC(CC)CCC TS05410 [0,1,0,0,0,0|1,0,1]=3 332 B8R0.22 CCCC(CCC)C#N TS05118 [0,1,0,0,0,0|1,0,1]=3 333 B8R0.22 CCCC(CCC)C=O TS36347 [0,1,0,0,0,0|0,0,1]=2 334 B8R0.22 CCCC(CCO)SC TS40691 [0,1,0,0,0,0|1,1,1]=4 335 B8R0.22 CCCN(CCC)C=O TS36421 [0,1,0,0,0,0|1,0,0]=2 336 B8R0.22 CCCN(CCC)N=O TS36520 [0,1,0,0,0,0|1,0,0]=2 337 B8R0.30 C(CS(=O)(=O)CCCl)N TS20485 [0,1,0,0,0,0|3,0,0]=4 338 B8R0.30 C(CS(=O)(=O)CCO)O TS08790 [0,1,0,0,0,0|3,0,0]=4 339 B8R0.30 CCCC(C)(C)CCC TS05408 [0,1,0,0,0,0|1,0,1]=3 340 B8R0.30 CCCC(C)(C)CCO TS05602 [0,1,0,0,0,0|2,0,1]=4 341 B8R0.30 CCCC(C)(CCC)O TS05592 [0,1,0,0,0,0|0,0,2]=3 342 B8R0.30 CCCS(=O)(=O)CC#N TS07361 [0,1,0,0,0,0|2,0,1]=4 343 B8R0.30 CCCS(=O)(=O)CCC TS09956 [0,1,0,0,0,0|1,0,0]=2 344 B8R0.30 CCNS(=O)(=O)NCC TS41170 [0,1,0,0,0,0|3,0,0]=4 345 B8R0.30 CCOP(=O)(N)OCC TS10283 [0,1,0,0,0,0|3,0,0]=4 346 B8R0.30 CCOP(=O)(OCC)Cl TS13251 [0,1,0,0,0,0|3,0,0]=4 347 B8R0.30 CCOP(=O)([O-])OCC TS10381 [0,1,0,0,0,0|3,0,0]=4 348 B8R0.30 CCOS(=O)(=O)OCC TS41385 [0,1,0,0,0,0|3,0,0]=4 349 B8R1.4 C1C(=O)COCC1=O TS39664 [0,0,0,1,0,0|2,0,1]=4 350 B8R1.4 C1C(=O)CSCC1=O TS86965 [0,0,0,1,0,0|2,0,1]=4 351 B8R1.4 C1CC(=CC(=O)C1)Br TS13615 [0,0,0,1,0,0|1,0,2]=4 352 B8R1.4 C1CC(=CC(=O)C1)N TS39297 [0,0,0,1,0,0|1,0,2]=4 353 B8R1.4 C1CC(=O)CC(=O)C1 TS39841 [0,0,0,1,0,0|1,0,1]=3 354 B8R1.4 C1CC(=O)NC(=O)C1 TS04369 [0,0,0,1,0,0|2,0,1]=4 355 B8R1.4 C1CC(=O)OC(=O)C1 TS56168 [0,0,0,1,0,0|2,0,1]=4 356 B8R1.4 C1CC(CC(C1)O)N TS65882 [0,0,0,1,0,0|1,0,2]=4 357 B8R1.4 C1CC(CC(C1)O)O TS32206 [0,0,0,1,0,0|1,0,2]=4 358 B8R1.4 C1CNC(=O)CC1=O TS00654 [0,0,0,1,0,0|2,0,1]=4 359 B8R1.4 C1CNC(=O)CC1N TS02971 [0,0,0,1,0,0|2,0,0]=3 360 B8R1.4 C1CNC(=O)CC1O TS03134 [0,0,0,1,0,0|2,0,0]=3 361 B8R1.4 C1CNC(=O)C[C@@H]1O TS04536 [0,0,0,1,0,0|2,0,0]=3 362 B8R1.4 CC1=CC(=O)CCC1 TS04198 [0,0,0,1,0,0|0,0,2]=3 363 B8R1.4 CC1=CC(CCC1)O TS31949 [0,0,0,1,0,0|2,0,1]=4 364 B8R1.4 CC1=CCCC(=O)O1 TS31918 [0,0,0,1,0,0|1,0,2]=4 365 B8R1.4 CC1CC(=O)CCN1 TS59976 [0,0,0,1,0,0|1,0,0]=2 366 B8R1.4 CC1CC(=O)CCO1 TS87534 [0,0,0,1,0,0|1,0,0]=2 367 B8R1.4 CC1CC(CCN1)O TS85562 [0,0,0,1,0,0|1,0,2]=4 368 B8R1.4 CC1CC(CCO1)O TS88683 [0,0,0,1,0,0|1,0,2]=4 369 B8R1.4 CC1CC(CNC1)C TS65817 [0,0,0,1,0,0|2,0,1]=4 370 B8R1.4 CC1CCCC(=C1)C TS48310 [0,0,0,1,0,0|1,0,1]=3 371 B8R1.4 CC1CCCC(=O)O1 TS04447 [0,0,0,1,0,0|1,0,0]=2 372 B8R1.4 CC1CCCC(C1)C TS04353 [0,0,0,1,0,0|1,0,1]=3 373 B8R1.4 CC1CCCC(C1)C TS06754 [0,0,0,1,0,0|1,0,1]=3 374 B8R1.4 CC1CCCC(N1)C TS00705 [0,0,0,1,0,0|2,0,1]=4 375 B8R1.4 CC1CCN=C(S1)N TS05581 [0,0,0,1,0,0|3,0,0]=4 376 B8R1.4 CC1CCNC(=N)C1 TS45483 [0,0,0,1,0,0|2,0,0]=3 377 B8R1.4 CC1CCNC(C1)C TS07699 [0,0,0,1,0,0|2,0,1]=4 378 B8R1.4 CC1CCOC(=O)C1 TS32063 [0,0,0,1,0,0|1,0,0]=2 379 B8R1.4 CN1CCC=C(C1)Br TS21402 [0,0,0,1,0,0|2,0,1]=4 380 B8R1.4 CN1CCCC(=O)C1 TS46998 [0,0,0,1,0,0|1,0,0]=2 381 B8R1.4 CN1CCCC(C1)N TS46440 [0,0,0,1,0,0|2,0,1]=4 382 B8R1.4 CN1CCCC(C1)O TS32155 [0,0,0,1,0,0|1,0,2]=4 383 B8R1.4 CN1CCC[C@@H](C1)N TS89342 [0,0,0,1,0,0|2,0,1]=4 384 B8R1.4 CN1CCC[C@@H](C1)N TS90187 [0,0,0,1,0,0|2,0,1]=4 385 B8R1.4 CN1CCC[C@@H](C1)O TS90969 [0,0,0,1,0,0|1,0,2]=4 386 B8R1.4 CN1CCC[C@H](C1)N TS91342 [0,0,0,1,0,0|2,0,1]=4 387 B8R1.4 CN1CCC[C@H](C1)O TS90931 [0,0,0,1,0,0|1,0,2]=4 388 B8R1.4 C[C@@H]1CC(=O)CCO1 TS91794 [0,0,0,1,0,0|1,0,0]=2 389 B8R1.4 C[C@@H]1CCCC(=O)C1 TS31940 [0,0,0,1,0,0|0,0,0]=1 390 B8R1.4 C[C@@H]1CCCC(=O)O1 TS04430 [0,0,0,1,0,0|1,0,0]=2 391 B8R1.4 C[C@@H]1CCC[C@@H](N1)C TS55822 [0,0,0,1,0,0|2,0,1]=4 392 B8R1.4 C[C@@H]1COCC(=O)N1 TS04524 [0,0,0,1,0,0|2,0,0]=3 393 B8R1.4 C[C@@H]1C[C@@H](CCN1)O TS92594 [0,0,0,1,0,0|1,0,2]=4 394 B8R1.4 C[C@H]1CC(=O)CCO1 TS86799 [0,0,0,1,0,0|1,0,0]=2 395 B8R1.4 C[C@H]1C[C@H](CCN1)O TS91872 [0,0,0,1,0,0|1,0,2]=4 396 B8R1.8 C1CC(NC1)CCO TS91871 [0,0,0,1,0,0|2,0,1]=4 397 B8R1.8 C1CCC(C1)CCN TS00978 [0,0,0,1,0,0|2,0,1]=4 398 B8R1.8 C1CCC(C1)CCO TS04478 [0,0,0,1,0,0|2,0,1]=4 399 B8R1.8 C1CCN(C1)CCBr TS46380 [0,0,0,1,0,0|3,0,0]=4 400 B8R1.8 C1CCN(C1)CCN TS32117 [0,0,0,1,0,0|3,0,0]=4 401 B8R1.8 C1CCN(C1)CCO TS32173 [0,0,0,1,0,0|3,0,0]=4 402 B8R1.8 CCCC1=NCCN1 TS04325 [0,0,0,1,0,0|2,0,0]=3 403 B8R1.8 CCCC1CCCC1 TS31955 [0,0,0,1,0,0|1,0,1]=3 404 B8R1.8 CCCC1CCCC1 TS57165 [0,0,0,1,0,0|1,0,1]=3 405 B8R1.8 CCCC1CCCC1 TS67057 [0,0,0,1,0,0|1,0,1]=3 406 B8R1.8 CCCC1CCCC1 TS69588 [0,0,0,1,0,0|1,0,1]=3 407 B8R1.8 CCCC1CCCC1 TS69915 [0,0,0,1,0,0|1,0,1]=3 408 B8R1.8 CCCC1CCCC1 TS72093 [0,0,0,1,0,0|1,0,1]=3 409 B8R1.8 CCCC1CCCC1 TS72534 [0,0,0,1,0,0|1,0,1]=3 410 B8R1.8 CCCC1CCCC1 TS81524 [0,0,0,1,0,0|1,0,1]=3 411 B8R1.8 CCCC1CCCC1 TS82572 [0,0,0,1,0,0|1,0,1]=3 412 B8R1.8 CCCC1CCCC1 TS82652 [0,0,0,1,0,0|1,0,1]=3 413 B8R1.8 CCOC1CCCO1 TS04591 [0,0,0,1,0,0|1,0,2]=4 414 B8R1.8 CNCC1CCCO1 TS32151 [0,0,0,1,0,0|1,0,2]=4 415 B8R1.8 COCC1CCCN1 TS32164 [0,0,0,1,0,0|2,0,1]=4 416 B8R1.8 COCC1CCCO1 TS04584 [0,0,0,1,0,0|1,0,2]=4 417 B8R1.8 COC[C@@H]1CCCN1 TS32165 [0,0,0,1,0,0|2,0,1]=4 418 B8R1.8 COC[C@H]1CCCN1 TS32345 [0,0,0,1,0,0|2,0,1]=4 419 B8R1.11 C1C(C(=O)CO1)C#N TS92869 [0,0,0,1,0,0|2,0,1]=4 420 B8R1.11 C1C(C(=O)CS1)C#N TS05266 [0,0,0,1,0,0|2,0,1]=4 421 B8R1.11 C1CC(=O)C(=C1)CO TS31910 [0,0,0,1,0,0|1,0,2]=4 422 B8R1.11 C1CC(=O)N(C1)CO TS04519 [0,0,0,1,0,0|2,0,0]=3 423 B8R1.11 C1CC(C(=O)C1)C#N TS64878 [0,0,0,1,0,0|1,0,1]=3 424 B8R1.11 C=CN1CCCC1=O TS04250 [0,0,0,1,0,0|1,0,2]=4 425 B8R1.11 CCC1=C(CCC1)C TS04224 [0,0,0,1,0,0|1,0,1]=3 426 B8R1.11 CCC1CCCC1=O TS31928 [0,0,0,1,0,0|0,0,0]=1 427 B8R1.11 CCC1CCCC1C TS67055 [0,0,0,1,0,0|1,0,1]=3 428 B8R1.11 CCN1CCCC1=O TS32015 [0,0,0,1,0,0|1,0,0]=2 429 B8R1.11 CN1CCCC1CO TS46985 [0,0,0,1,0,0|3,0,0]=4 430 B8R1.11 CN1CCC[C@@H]1CN TS88307 [0,0,0,1,0,0|3,0,0]=4 431 B8R1.11 CN1CCC[C@@H]1CO TS87350 [0,0,0,1,0,0|3,0,0]=4 432 B8R1.11 CN1CCC[C@H]1CN TS91663 [0,0,0,1,0,0|3,0,0]=4 433 B8R1.11 CN1CCC[C@H]1CO TS18151 [0,0,0,1,0,0|3,0,0]=4 434 B8R1.18 CC1CC(=O)CC1C TS31939 [0,0,0,1,0,0|0,0,0]=1 435 B8R1.18 CC1CC(=O)OC1=O TS32036 [0,0,0,1,0,0|2,0,1]=4 436 B8R1.18 C[C@@H]1CC(=O)C[C@@H]1C TS04316 [0,0,0,1,0,0|0,0,0]=1 437 B8R1.18 C[C@@H]1C[C@H]([C@H](C1)C)C TS31966 [0,0,0,1,0,0|1,0,1]=3 438 B8R1.18 C[C@H]1C[C@@H]([C@H](C1)C)C TS04355 [0,0,0,1,0,0|1,0,1]=3 439 B8R1.22 C1CC(=O)CCC=C1 TS04197 [0,0,0,1,0,0|0,0,2]=3 440 B8R1.22 C1CC(=O)CCNC1 TS89498 [0,0,0,1,0,0|1,0,0]=2 441 B8R1.22 C1CC(CCNC1)F TS91335 [0,0,0,1,0,0|2,0,1]=4 442 B8R1.22 C1CC(CCNC1)N TS04492 [0,0,0,1,0,0|2,0,1]=4 443 B8R1.22 C1CC(CCNC1)O TS01362 [0,0,0,1,0,0|1,0,2]=4 444 B8R1.22 C1CCC(=O)C=CC1 TS01401 [0,0,0,1,0,0|0,0,2]=3 445 B8R1.22 C1CCC(=O)NCC1 TS04386 [0,0,0,1,0,0|1,0,0]=2 446 B8R1.22 C1CCC(=O)NCC1 TS49157 [0,0,0,1,0,0|1,0,0]=2 447 B8R1.22 C1CCC(=O)OCC1 TS59735 [0,0,0,1,0,0|1,0,0]=2 448 B8R1.22 C1CCC(=S)NCC1 TS05487 [0,0,0,1,0,0|1,1,0]=3 449 B8R1.22 C1CCCC(=O)CC1 TS31926 [0,0,0,1,0,0|0,0,0]=1 450 B8R1.22 C1CCCC(CC1)Br TS46223 [0,0,0,1,0,0|1,0,1]=3 451 B8R1.22 C1CCCC(CC1)Cl TS36739 [0,0,0,1,0,0|1,0,1]=3 452 B8R1.22 C1CCCC(CC1)N TS04399 [0,0,0,1,0,0|1,0,1]=3 453 B8R1.22 C1CCCC(CC1)O TS04470 [0,0,0,1,0,0|0,0,2]=3 454 B8R1.22 C1CCCN(CC1)N TS04497 [0,0,0,1,0,0|2,0,0]=3 455 B8R1.22 C1CCNC(=S)NC1 TS05580 [0,0,0,1,0,0|2,1,0]=4 456 B8R1.22 C1CCNCC(C1)N TS07845 [0,0,0,1,0,0|2,0,1]=4 457 B8R1.22 C1CNCC(=O)NC1 TS32078 [0,0,0,1,0,0|2,0,0]=3 458 B8R1.22 C1COCC(=O)CO1 TS32190 [0,0,0,1,0,0|2,0,0]=3 459 B8R1.22 C1COCCNC1=O TS04534 [0,0,0,1,0,0|2,0,0]=3 460 B8R1.22 C=C1OCCCCO1 TS04434 [0,0,0,1,0,0|3,0,0]=4 461 B8R1.22 CC1=CCCCCC1 TS04216 [0,0,0,1,0,0|1,0,1]=3 462 B8R1.22 CC1CCCCCC1 TS04339 [0,0,0,1,0,0|1,0,1]=3 463 B8R1.22 CN1CCCCCC1 TS32032 [0,0,0,1,0,0|2,0,0]=3 464 B8R1.22 CN1CCCNCC1 TS00463 [0,0,0,1,0,0|3,0,0]=4 465 B8R1.37 C1CC1C(=O)CC#N TS31797 [0,0,0,1,0,0|1,0,1]=3 466 B8R1.37 C1CC1C(=O)CC#N TS89517 [0,0,0,1,0,0|1,0,1]=3 467 B8R1.37 CCCC(C)C1CC1 TS04363 [0,0,0,1,0,0|1,0,1]=3 468 B8R1.37 CCOC(=O)C1CC1 TS32071 [0,0,0,1,0,0|1,0,0]=2 469 B8R1.37 CCOC(=O)C1CO1 TS01910 [0,0,0,1,0,0|2,0,0]=3 470 B8R1.37 CCOC(=O)[C@H]1CO1 TS32189 [0,0,0,1,0,0|2,0,0]=3 471 B5R0.1 C(CBr)C(=O)N TS10109 [2,0,0,0,0,0|2,0,0]=4 472 B5R0.1 C(CBr)C(=O)O TS09493 [2,0,0,0,0,0|2,0,0]=4 473 B5R0.1 C(CCl)C(=O)Cl TS00146 [2,0,0,0,0,0|2,0,0]=4 474 B5R0.1 C(CCl)C(=O)N TS04118 [2,0,0,0,0,0|2,0,0]=4 475 B5R0.1 C(CCl)C(=O)O TS04159 [2,0,0,0,0,0|2,0,0]=4 476 B5R0.1 C(CI)C(=O)O TS18918 [2,0,0,0,0,0|2,0,0]=4 477 B5R0.1 C(CN)C(=O)N TS36032 [2,0,0,0,0,0|2,0,0]=4 478 B5R0.1 C(CN)C(=O)O TS02667 [2,0,0,0,0,0|2,0,0]=4 479 B5R0.1 C(CO)C(=O)O TS16373 [2,0,0,0,0,0|2,0,0]=4 480 B5R0.1 C(CS)C(=O)O TS04091 [2,0,0,0,0,0|2,0,0]=4 481 B5R0.1 CC(=C)CCO TS71766 [2,0,0,0,0,0|2,0,0]=4 482 B5R0.1 CC(=O)CC#N TS04063 [2,0,0,0,0,0|1,0,1]=4 483 B5R0.1 CC(=O)CCO TS39752 [2,0,0,0,0,0|1,0,0]=3 484 B5R0.1 CC(=O)CCS TS31678 [2,0,0,0,0,0|1,0,0]=3 485 B5R0.1 CC(=O)COC TS03573 [2,0,0,0,0,0|1,0,0]=3 486 B5R0.1 CC(=O)CSC TS31685 [2,0,0,0,0,0|1,0,0]=3 487 B5R0.1 CC(=O)NCO TS08902 [2,0,0,0,0,0|2,0,0]=4 488 B5R0.1 CC(=O)NSC TS31708 [2,0,0,0,0,0|2,0,0]=4 489 B5R0.1 CC(=O)OCBr TS16534 [2,0,0,0,0,0|2,0,0]=4 490 B5R0.1 CC(=O)OCCl TS55809 [2,0,0,0,0,0|2,0,0]=4 491 B5R0.1 CC(=O)O[Hg]C TS30965 [2,0,0,0,0,0|2,0,0]=4 492 B5R0.1 CC=CC(=O)C TS03499 [2,0,0,0,0,0|0,0,2]=4 493 B5R0.1 CCC=C(C)C TS71718 [2,0,0,0,0,0|1,0,1]=4 494 B5R0.1 CCCC(=C)C TS71722 [2,0,0,0,0,0|1,0,0]=3 495 B5R0.1 CCCC(=N)N TS03542 [2,0,0,0,0,0|2,0,0]=4 496 B5R0.1 CCCC(=N)N TS04952 [2,0,0,0,0,0|2,0,0]=4 497 B5R0.1 CCCC(=O)Br TS40964 [2,0,0,0,0,0|1,0,0]=3 498 B5R0.1 CCCC(=O)C TS71754 [2,0,0,0,0,0|0,0,0]=2 499 B5R0.1 CCCC(=O)Cl TS16539 [2,0,0,0,0,0|1,0,0]=3 500 B5R0.1 CCCC(=O)N TS03561 [2,0,0,0,0,0|1,0,0]=3 501 B5R0.1 CCCC(=O)O TS03572 [2,0,0,0,0,0|1,0,0]=3 502 B5R0.1 CCCC(=O)O TS63934 [2,0,0,0,0,0|1,0,0]=3 503 B5R0.1 CCCC(=O)[O-] TS04184 [2,0,0,0,0,0|1,0,0]=3 504 B5R0.1 CCCC(=O)[O-] TS04232 [2,0,0,0,0,0|1,0,0]=3 505 B5R0.1 CCCC(=O)[O-] TS44539 [2,0,0,0,0,0|1,0,0]=3 506 B5R0.1 CCCC(=S)Cl TS37257 [2,0,0,0,0,0|1,1,0]=4 507 B5R0.1 CCCC(=S)O TS04825 [2,0,0,0,0,0|1,0,1]=4 508 B5R0.1 CCCC(C)Br TS09989 [2,0,0,0,0,0|1,0,1]=4 509 B5R0.1 CCCC(C)Cl TS31741 [2,0,0,0,0,0|1,0,1]=4 510 B5R0.1 CCCC(C)I TS18550 [2,0,0,0,0,0|1,0,1]=4 511 B5R0.1 CCCC(C)O TS03596 [2,0,0,0,0,0|0,0,2]=4 512 B5R0.1 CCCC(C)S TS31692 [2,0,0,0,0,0|0,1,1]=4 513 B5R0.1 CCCC(C)[Zn+] TS49166 [2,0,0,0,0,0|1,0,1]=4 514 B5R0.1 CCCN(C)C TS71775 [2,0,0,0,0,0|2,0,0]=4 515 B5R0.1 CCC[C@@H](C)O TS71801 [2,0,0,0,0,0|0,0,2]=4 516 B5R0.1 CCC[C@H](C)O TS71800 [2,0,0,0,0,0|0,0,2]=4 517 B5R0.1 CCC[N+](=O)[O-] TS71821 [2,0,0,0,0,0|2,0,0]=4 518 B5R0.1 CCNC(=O)C TS03563 [2,0,0,0,0,0|1,0,0]=3 519 B5R0.1 CCNC(=O)N TS03591 [2,0,0,0,0,0|2,0,0]=4 520 B5R0.1 CCOC(=C)C TS71753 [2,0,0,0,0,0|2,0,0]=4 521 B5R0.1 CCOC(=O)C TS03585 [2,0,0,0,0,0|1,0,0]=3 522 B5R0.1 CCOC(=O)C TS03625 [2,0,0,0,0,0|1,0,0]=3 523 B5R0.1 CCOC(=O)C TS71827 [2,0,0,0,0,0|1,0,0]=3 524 B5R0.1 CCOC(=O)Cl TS56143 [2,0,0,0,0,0|2,0,0]=4 525 B5R0.1 CCOC(=O)N TS59479 [2,0,0,0,0,0|2,0,0]=4 526 B5R0.1 CCOC(=S)C TS31684 [2,0,0,0,0,0|1,1,0]=4 527 B5R0.1 CCSC(=S)C TS32440 [2,0,0,0,0,0|1,1,0]=4 528 B5R0.1 CNCC(=O)N TS36031 [2,0,0,0,0,0|2,0,0]=4 529 B5R0.1 CNCC(=O)O TS34582 [2,0,0,0,0,0|2,0,0]=4 530 B5R0.1 CNCC(=O)O TS36080 [2,0,0,0,0,0|2,0,0]=4 531 B5R0.1 CNCC(=O)[O-] TS04231 [2,0,0,0,0,0|2,0,0]=4 532 B5R0.1 COCC(=O)O TS03620 [2,0,0,0,0,0|2,0,0]=4 533 B5R0.1 CSCC(=O)N TS93570 [2,0,0,0,0,0|2,0,0]=4 534 B5R0.1 CSCS(=O)C TS05065 [2,0,0,0,0,0|2,0,0]=4 535 B5R0.2 C(CCBr)CBr TS07886 [2,0,0,0,0,0|2,0,0]=4 536 B5R0.2 C(CCBr)CCl TS45376 [2,0,0,0,0,0|2,0,0]=4 537 B5R0.2 C(CCBr)CF TS10539 [2,0,0,0,0,0|2,0,0]=4 538 B5R0.2 C(CCBr)CO TS39737 [2,0,0,0,0,0|2,0,0]=4 539 B5R0.2 C(CCCl)CCl TS36204 [2,0,0,0,0,0|2,0,0]=4 540 B5R0.2 C(CCCl)CO TS33155 [2,0,0,0,0,0|2,0,0]=4 541 B5R0.2 C(CCF)CF TS03666 [2,0,0,0,0,0|2,0,0]=4 542 B5R0.2 C(CCF)CO TS03655 [2,0,0,0,0,0|2,0,0]=4 543 B5R0.2 C(CCI)CCl TS49510 [2,0,0,0,0,0|2,0,0]=4 544 B5R0.2 C(CCI)CI TS76368 [2,0,0,0,0,0|2,0,0]=4 545 B5R0.2 C(CCO)CN TS03609 [2,0,0,0,0,0|2,0,0]=4 546 B5R0.2 C(CCO)CO TS00383 [2,0,0,0,0,0|2,0,0]=4 547 B5R0.2 C(CCS)CO TS04107 [2,0,0,0,0,0|2,0,0]=4 548 B5R0.2 C(CCS)CS TS04933 [2,0,0,0,0,0|2,0,0]=4 549 B5R0.2 C(CC[Zn+])CCl TS25983 [2,0,0,0,0,0|2,0,0]=4 550 B5R0.2 CC=CCCO TS71749 [2,0,0,0,0,0|1,0,1]=4 551 B5R0.2 CCC#CCC TS71689 [2,0,0,0,0,0|0,0,2]=4 552 B5R0.2 CCCC#CC TS71682 [2,0,0,0,0,0|0,0,2]=4 553 B5R0.2 CCCC=NO TS03560 [2,0,0,0,0,0|2,0,0]=4 554 B5R0.2 CCCCC#C TS71687 [2,0,0,0,0,0|0,0,2]=4 555 B5R0.2 CCCCC#N TS71704 [2,0,0,0,0,0|1,0,1]=4 556 B5R0.2 CCCCC=C TS71713 [2,0,0,0,0,0|0,0,2]=4 557 B5R0.2 CCCCC=O TS71764 [2,0,0,0,0,0|1,0,1]=4 558 B5R0.2 CCCCCBr TS00039 [2,0,0,0,0,0|1,0,0]=3 559 B5R0.2 CCCCCCl TS31742 [2,0,0,0,0,0|1,0,0]=3 560 B5R0.2 CCCCCF TS71848 [2,0,0,0,0,0|1,0,0]=3 561 B5R0.2 CCCCCI TS18547 [2,0,0,0,0,0|1,0,0]=3 562 B5R0.2 CCCCCN TS71782 [2,0,0,0,0,0|1,0,0]=3 563 B5R0.2 CCCCCO TS46186 [2,0,0,0,0,0|1,0,0]=3 564 B5R0.2 CCCCCO TS71798 [2,0,0,0,0,0|1,0,0]=3 565 B5R0.2 CCCCCS TS31699 [2,0,0,0,0,0|1,0,0]=3 566 B5R0.2 CCCCC[Si] TS03986 [2,0,0,0,0,0|0,1,0]=3 567 B5R0.2 CCCCC[Zn+] TS49168 [2,0,0,0,0,0|1,0,0]=3 568 B5R0.2 CCCCNC TS71774 [2,0,0,0,0,0|1,0,0]=3 569 B5R0.2 CCCCNN TS14187 [2,0,0,0,0,0|2,0,0]=4 570 B5R0.2 CCCCNN TS36035 [2,0,0,0,0,0|2,0,0]=4 571 B5R0.2 CCCCON TS36085 [2,0,0,0,0,0|2,0,0]=4 572 B5R0.2 CCCCON TS93805 [2,0,0,0,0,0|2,0,0]=4 573 B5R0.2 CCCCSC TS31691 [2,0,0,0,0,0|1,0,0]=3 574 B5R0.2 CCCC[Mg]Br TS11455 [2,0,0,0,0,0|2,0,0]=4 575 B5R0.2 CCCC[Mg]Cl TS32260 [2,0,0,0,0,0|2,0,0]=4 576 B5R0.2 CCCC[N+]#[C-] TS71702 [2,0,0,0,0,0|1,0,1]=4 577 B5R0.2 CCCC[Sn]=O TS17583 [2,0,0,0,0,0|2,0,0]=4 578 B5R0.2 CCCNCC TS71783 [2,0,0,0,0,0|1,0,0]=3 579 B5R0.2 CCCOCC TS71799 [2,0,0,0,0,0|1,0,0]=3 580 B5R0.2 CCCOCCl TS04165 [2,0,0,0,0,0|2,0,0]=4 581 B5R0.2 CCCSCC TS31700 [2,0,0,0,0,0|1,0,0]=3 582 B5R0.2 CCCSSC TS04934 [2,0,0,0,0,0|2,0,0]=4 583 B5R0.2 CCN=NCC TS03539 [2,0,0,0,0,0|2,0,0]=4 584 B5R0.2 CCNCCN TS71809 [2,0,0,0,0,0|2,0,0]=4 585 B5R0.2 CCNCCO TS00085 [2,0,0,0,0,0|2,0,0]=4 586 B5R0.2 CCNNCC TS11360 [2,0,0,0,0,0|2,0,0]=4 587 B5R0.2 CCNNCC TS71806 [2,0,0,0,0,0|2,0,0]=4 588 B5R0.2 CCOC=CC TS71751 [2,0,0,0,0,0|1,0,1]=4 589 B5R0.2 CCOCCBr TS10269 [2,0,0,0,0,0|2,0,0]=4 590 B5R0.2 CCOCCCl TS04162 [2,0,0,0,0,0|2,0,0]=4 591 B5R0.2 CCOCCO TS71837 [2,0,0,0,0,0|2,0,0]=4 592 B5R0.2 CCSCCBr TS44968 [2,0,0,0,0,0|2,0,0]=4 593 B5R0.2 CCSCCCl TS36036 [2,0,0,0,0,0|2,0,0]=4 594 B5R0.2 CCSCCN TS31712 [2,0,0,0,0,0|2,0,0]=4 595 B5R0.2 CCSCCN TS37539 [2,0,0,0,0,0|2,0,0]=4 596 B5R0.2 CCSCCO TS59769 [2,0,0,0,0,0|2,0,0]=4 597 B5R0.2 CCSSCC TS59782 [2,0,0,0,0,0|2,0,0]=4 598 B5R0.2 CC[Se][Se]CC TS44786 [2,0,0,0,0,0|2,0,0]=4 599 B5R0.2 CNCCCCl TS40140 [2,0,0,0,0,0|2,0,0]=4 600 B5R0.2 CNCCCN TS71808 [2,0,0,0,0,0|2,0,0]=4 601 B5R0.2 CNCCNC TS56355 [2,0,0,0,0,0|2,0,0]=4 602 B5R0.2 CNCCOC TS03607 [2,0,0,0,0,0|2,0,0]=4 603 B5R0.2 COCCCBr TS10272 [2,0,0,0,0,0|2,0,0]=4 604 B5R0.2 COCCCCl TS04163 [2,0,0,0,0,0|2,0,0]=4 605 B5R0.2 COCCCN TS03603 [2,0,0,0,0,0|2,0,0]=4 606 B5R0.2 COCCCO TS70643 [2,0,0,0,0,0|2,0,0]=4 607 B5R0.2 COCCOC TS07877 [2,0,0,0,0,0|2,0,0]=4 608 B5R0.2 CSCCCN TS65714 [2,0,0,0,0,0|2,0,0]=4 609 B5R0.2 CSCCCO TS04105 [2,0,0,0,0,0|2,0,0]=4 610 B5R0.2 C[SiH2]CC[SiH2]C TS04760 [2,0,0,0,0,0|0,2,0]=4 611 B5R0.3 C(C(=O)CBr)Br TS21961 [2,0,0,0,0,0|2,0,0]=4 612 B5R0.3 C(C(=O)CCl)Cl TS36200 [2,0,0,0,0,0|2,0,0]=4 613 B5R0.3 C(C(=O)CF)F TS03661 [2,0,0,0,0,0|2,0,0]=4 614 B5R0.3 C(C(=O)CI)I TS60842 [2,0,0,0,0,0|2,0,0]=4 615 B5R0.3 C(C(=O)CN)N TS11357 [2,0,0,0,0,0|2,0,0]=4 616 B5R0.3 C(C(=O)CO)O TS46803 [2,0,0,0,0,0|2,0,0]=4 617 B5R0.3 CCC(=C)CC TS71714 [2,0,0,0,0,0|1,0,0]=3 618 B5R0.3 CCC(=O)C=C TS03496 [2,0,0,0,0,0|0,0,2]=4 619 B5R0.3 CCC(=O)C=O TS03524 [2,0,0,0,0,0|1,0,1]=4 620 B5R0.3 CCC(=O)CBr TS00020 [2,0,0,0,0,0|1,0,0]=3 621 B5R0.3 CCC(=O)CC TS00240 [2,0,0,0,0,0|0,0,0]=2 622 B5R0.3 CCC(=O)CCl TS31736 [2,0,0,0,0,0|1,0,0]=3 623 B5R0.3 CCC(=O)CO TS05538 [2,0,0,0,0,0|1,0,0]=3 624 B5R0.3 CCC(=O)NC TS03562 [2,0,0,0,0,0|1,0,0]=3 625 B5R0.3 CCC(=O)NN TS03589 [2,0,0,0,0,0|2,0,0]=4 626 B5R0.3 CCC(=O)OC TS03587 [2,0,0,0,0,0|1,0,0]=3 627 B5R0.3 CCC(=S)OC TS31680 [2,0,0,0,0,0|1,1,0]=4 628 B5R0.3 CCC(C)CC TS03546 [2,0,0,0,0,0|1,0,1]=4 629 B5R0.3 CCC(CC)Br TS09988 [2,0,0,0,0,0|1,0,1]=4 630 B5R0.3 CCC(CC)Cl TS31745 [2,0,0,0,0,0|1,0,1]=4 631 B5R0.3 CCC(CC)F TS71849 [2,0,0,0,0,0|1,0,1]=4 632 B5R0.3 CCC(CC)I TS18549 [2,0,0,0,0,0|1,0,1]=4 633 B5R0.3 CCC(CC)N TS00440 [2,0,0,0,0,0|1,0,1]=4 634 B5R0.3 CCC(CC)O TS00239 [2,0,0,0,0,0|0,0,2]=4 635 B5R0.3 CCC(CC)[Zn+] TS49169 [2,0,0,0,0,0|1,0,1]=4 636 B5R0.3 CCN(C)CC TS71781 [2,0,0,0,0,0|2,0,0]=4 637 B5R0.3 CCN(CC)O TS03599 [2,0,0,0,0,0|1,0,1]=4 638 B5R0.3 CCP(CC)Cl TS36025 [2,0,0,0,0,0|2,0,0]=4 639 B5R0.3 CCS(=O)CC TS04104 [2,0,0,0,0,0|1,0,0]=3 640 B5R0.3 CC[Al](CC)Cl TS27650 [2,0,0,0,0,0|2,0,0]=4 641 B5R0.3 CC[SiH](C)CC TS03988 [2,0,0,0,0,0|1,1,0]=4 642 B5R0.3 CC[Sn](=O)CC TS17584 [2,0,0,0,0,0|1,0,0]=3 643 B5R0.3 CNC(=O)CCl TS04119 [2,0,0,0,0,0|2,0,0]=4 644 B5R0.3 CNC(=O)CN TS36033 [2,0,0,0,0,0|2,0,0]=4 645 B5R0.3 CNC(=O)NC TS08682 [2,0,0,0,0,0|2,0,0]=4 646 B5R0.3 COC(=O)CBr TS08895 [2,0,0,0,0,0|2,0,0]=4 647 B5R0.3 COC(=O)CCl TS39826 [2,0,0,0,0,0|2,0,0]=4 648 B5R0.3 COC(=O)CF TS65235 [2,0,0,0,0,0|2,0,0]=4 649 B5R0.3 COC(=O)CN TS36079 [2,0,0,0,0,0|2,0,0]=4 650 B5R0.3 COC(=O)CN TS93910 [2,0,0,0,0,0|2,0,0]=4 651 B5R0.3 COC(=O)CO TS03617 [2,0,0,0,0,0|2,0,0]=4 652 B5R0.3 COC(=O)CS TS39888 [2,0,0,0,0,0|2,0,0]=4 653 B5R0.3 COC(=O)OC TS33240 [2,0,0,0,0,0|2,0,0]=4 654 B5R0.3 CSC(=O)SC TS04928 [2,0,0,0,0,0|2,0,0]=4 655 B7R0.2 CC(=O)CC(=O)NC TS04520 [1,1,0,0,0,0|1,0,1]=4 656 B7R0.2 CC(=O)CC(=O)OC TS32187 [1,1,0,0,0,0|1,0,1]=4 657 B7R0.2 CC(C)CC(=O)OC TS04588 [1,1,0,0,0,0|1,0,0]=3 658 B7R0.2 CC(C)CC(=O)SC TS05775 [1,1,0,0,0,0|1,0,0]=3 659 B7R0.2 CC(C)NC(=O)CCl TS06023 [1,1,0,0,0,0|2,0,0]=4 660 B7R0.2 CC(C)OC(=O)CCl TS37073 [1,1,0,0,0,0|2,0,0]=4 661 B7R0.2 CC(C)OC(=O)CN TS41311 [1,1,0,0,0,0|2,0,0]=4 662 B7R0.2 CC(C)OC(=O)CO TS32323 [1,1,0,0,0,0|2,0,0]=4 663 B7R0.2 CC(C)OC(=O)CS TS05924 [1,1,0,0,0,0|2,0,0]=4 664 B7R0.2 CC(CC(=O)OC)Br TS65942 [1,1,0,0,0,0|1,0,0]=3 665 B7R0.2 CCC(=C)CC(C)C TS04352 [1,1,0,0,0,0|1,0,0]=3 666 B7R0.2 CCC(=O)CC(=O)C TS00653 [1,1,0,0,0,0|0,0,1]=3 667 B7R0.2 CCC(=O)CC(C)C TS32113 [1,1,0,0,0,0|0,0,0]=2 668 B7R0.2 CCC(C)CC(C)C TS04502 [1,1,0,0,0,0|1,0,1]=4 669 B7R0.2 CCC(C)CC(C)N TS04563 [1,1,0,0,0,0|1,0,1]=4 670 B7R0.2 CCC(C)CC(C)N TS10102 [1,1,0,0,0,0|1,0,1]=4 671 B7R0.2 CCC(C)CC(C)O TS32253 [1,1,0,0,0,0|1,0,1]=4 672 B7R0.2 CCC(CC(C)C)O TS32246 [1,1,0,0,0,0|0,0,2]=4 673 B7R0.2 CCC(CC(C)O)O TS32344 [1,1,0,0,0,0|0,0,2]=4 674 B7R0.2 CN(C)CC(=O)OC TS04665 [1,1,0,0,0,0|2,0,0]=4 675 B7R0.2 C[C@@H](CC(=O)OC)O TS77156 [1,1,0,0,0,0|1,0,0]=3 676 B7R0.2 C[C@H](CC(=O)OC)O TS01535 [1,1,0,0,0,0|1,0,0]=3 677 B7R0.3 C(CC(=O)NN)CO TS32340 [1,1,0,0,0,0|2,0,0]=4 678 B7R0.3 CCC#CC(=O)OC TS31922 [1,1,0,0,0,0|1,0,1]=4 679 B7R0.3 CCC(=O)NCCO TS32284 [1,1,0,0,0,0|1,0,0]=3 680 B7R0.3 CCC(=O)OCC#C TS31921 [1,1,0,0,0,0|0,0,2]=4 681 B7R0.3 CCC(=O)OCC=C TS04450 [1,1,0,0,0,0|0,0,2]=4 682 B7R0.3 CCC=CC(=O)OC TS56262 [1,1,0,0,0,0|1,0,1]=4 683 B7R0.3 CCCCC(=C)CC TS04366 [1,1,0,0,0,0|1,0,0]=3 684 B7R0.3 CCCCC(=CC)C TS04336 [1,1,0,0,0,0|1,0,1]=4 685 B7R0.3 CCCCC(=O)CC TS04462 [1,1,0,0,0,0|0,0,0]=2 686 B7R0.3 CCCCC(=O)NC TS32169 [1,1,0,0,0,0|1,0,0]=3 687 B7R0.3 CCCCC(=O)NN TS04606 [1,1,0,0,0,0|2,0,0]=4 688 B7R0.3 CCCCC(=O)OC TS32226 [1,1,0,0,0,0|1,0,0]=3 689 B7R0.3 CCCCC(C)CC TS32121 [1,1,0,0,0,0|1,0,1]=4 690 B7R0.3 CCCCC(CC)Br TS14340 [1,1,0,0,0,0|1,0,1]=4 691 B7R0.3 CCCCC(CC)N TS04554 [1,1,0,0,0,0|1,0,1]=4 692 B7R0.3 CCCCC(CC)O TS04628 [1,1,0,0,0,0|0,0,2]=4 693 B7R0.3 CCCNC(C)CC TS04555 [1,1,0,0,0,0|1,0,1]=4 694 B7R0.3 CCCOC(=O)C=C TS04429 [1,1,0,0,0,0|0,0,2]=4 695 B7R0.3 CCCOC(=O)CCl TS06137 [1,1,0,0,0,0|1,0,0]=3 696 B7R0.3 CCCOC(=O)CN TS41315 [1,1,0,0,0,0|1,0,0]=3 697 B7R0.3 CCCOC(=O)OC TS32321 [1,1,0,0,0,0|1,0,0]=3 698 B7R0.3 CCCSC(=O)CC TS05773 [1,1,0,0,0,0|0,0,0]=2 699 B7R0.3 CC[C@H](C)CCCO TS04624 [1,1,0,0,0,0|1,0,1]=4 700 B7R0.3 COC(=O)CCC#N TS02730 [1,1,0,0,0,0|1,0,1]=4 701 B7R0.3 COC(=O)CCC=O TS02246 [1,1,0,0,0,0|1,0,1]=4 702 B7R0.3 COC(=O)CCCBr TS09599 [1,1,0,0,0,0|1,0,0]=3 703 B7R0.3 COC(=O)CCCCl TS06131 [1,1,0,0,0,0|1,0,0]=3 704 B7R0.3 COC(=O)CCCI TS52575 [1,1,0,0,0,0|1,0,0]=3 705 B7R0.3 COC(=O)CCCN TS41316 [1,1,0,0,0,0|1,0,0]=3 706 B7R0.3 COC(=O)CCSC TS05919 [1,1,0,0,0,0|1,0,0]=3 707 B7R0.3 COCCC(=O)NN TS32330 [1,1,0,0,0,0|2,0,0]=4 708 B7R0.3 COCCC(=O)OC TS32322 [1,1,0,0,0,0|1,0,0]=3 709 B7R0.5 CC(C)C(=O)CC#N TS60063 [1,1,0,0,0,0|1,0,1]=4 710 B7R0.5 CCC=C(C)C(C)C TS31953 [1,1,0,0,0,0|1,0,1]=4 711 B7R0.5 CCC=C(C)C(C)O TS04482 [1,1,0,0,0,0|1,0,1]=4 712 B7R0.5 CCCC(=C(C)C)C TS04362 [1,1,0,0,0,0|1,0,1]=4 713 B7R0.5 CCCC(=C)C(C)C TS04341 [1,1,0,0,0,0|1,0,0]=3 714 B7R0.5 CCCC(=O)C(=O)C TS32062 [1,1,0,0,0,0|0,0,1]=3 715 B7R0.5 CCCC(=O)C(=O)O TS32183 [1,1,0,0,0,0|1,0,1]=4 716 B7R0.5 CCCC(=O)C(=O)[O-] TS06218 [1,1,0,0,0,0|1,0,1]=4 717 B7R0.5 CCCC(=O)C(C)C TS32114 [1,1,0,0,0,0|0,0,0]=2 718 B7R0.5 CCCC(=O)N(C)C TS32149 [1,1,0,0,0,0|1,0,0]=3 719 B7R0.5 CCCC(C(C)Br)Br TS61926 [1,1,0,0,0,0|1,0,1]=4 720 B7R0.5 CCCC(C(C)C)O TS32239 [1,1,0,0,0,0|0,0,2]=4 721 B7R0.5 CCCC(C)C(C)C TS04507 [1,1,0,0,0,0|1,0,1]=4 722 B7R0.5 CCCC(C)C(C)O TS32245 [1,1,0,0,0,0|1,0,1]=4 723 B7R0.5 CCNC(=O)C(=C)C TS04389 [1,1,0,0,0,0|1,0,1]=4 724 B7R0.5 CCOC(=O)C(=C)C TS00098 [1,1,0,0,0,0|1,0,1]=4 725 B7R0.5 CCOC(=O)C(=O)C TS01478 [1,1,0,0,0,0|1,0,1]=4 726 B7R0.5 CCOC(=O)C(Br)Br TS27397 [1,1,0,0,0,0|2,0,0]=4 727 B7R0.5 CCOC(=O)C(C)Br TS55906 [1,1,0,0,0,0|1,0,0]=3 728 B7R0.5 CCOC(=O)C(C)C TS32217 [1,1,0,0,0,0|1,0,0]=3 729 B7R0.5 CCOC(=O)C(C)Cl TS55916 [1,1,0,0,0,0|1,0,0]=3 730 B7R0.5 CCOC(=O)C(C)F TS32420 [1,1,0,0,0,0|1,0,0]=3 731 B7R0.5 CCOC(=O)C(C)N TS55877 [1,1,0,0,0,0|1,0,0]=3 732 B7R0.5 CCOC(=O)C(C)O TS04714 [1,1,0,0,0,0|1,0,0]=3 733 B7R0.5 CCOC(=O)C(C)S TS05920 [1,1,0,0,0,0|1,0,0]=3 734 B7R0.5 CCOC(=O)C(Cl)Cl TS10814 [1,1,0,0,0,0|2,0,0]=4 735 B7R0.5 CCOC(=O)C(F)Br TS15410 [1,1,0,0,0,0|2,0,0]=4 736 B7R0.5 CCOC(=O)C(F)Cl TS37443 [1,1,0,0,0,0|2,0,0]=4 737 B7R0.5 CCOC(=O)C(F)F TS39847 [1,1,0,0,0,0|2,0,0]=4 738 B7R0.5 CCOC(=O)C(F)I TS53245 [1,1,0,0,0,0|2,0,0]=4 739 B7R0.5 CCOC(=O)[C@@H](C)N TS41313 [1,1,0,0,0,0|1,0,0]=3 740 B7R0.5 CCOC(=O)[C@@H](C)O TS08773 [1,1,0,0,0,0|1,0,0]=3 741 B7R0.5 CCOC(=O)[C@H](C)Cl TS06132 [1,1,0,0,0,0|1,0,0]=3 742 B7R0.5 CCOC(=O)[C@H](C)N TS02287 [1,1,0,0,0,0|1,0,0]=3 743 B7R0.5 CCOC(=O)[C@H](C)O TS04715 [1,1,0,0,0,0|1,0,0]=3 744 B7R0.10 CC(C(=O)OC)OC TS32317 [1,1,0,0,0,0|2,0,0]=4 745 B7R0.10 CC(C(=O)OC)SC TS05922 [1,1,0,0,0,0|2,0,0]=4 746 B7R0.10 CCC(=C(C)CC)C TS04354 [1,1,0,0,0,0|1,0,1]=4 747 B7R0.10 CCC(=C(C)CC)C TS31959 [1,1,0,0,0,0|1,0,1]=4 748 B7R0.10 CCC(C(=O)CC)O TS32221 [1,1,0,0,0,0|0,0,0]=2 749 B7R0.10 CCC(C(=O)OC)Br TS65236 [1,1,0,0,0,0|1,0,0]=3 750 B7R0.10 CCC(C(=O)OC)Cl TS06135 [1,1,0,0,0,0|1,0,0]=3 751 B7R0.10 CCC(C(=O)OC)N TS41307 [1,1,0,0,0,0|1,0,0]=3 752 B7R0.10 CCC(C(CC)Br)Br TS61927 [1,1,0,0,0,0|1,0,1]=4 753 B7R0.10 CCC(C)C(=C)CC TS04351 [1,1,0,0,0,0|1,0,0]=3 754 B7R0.10 CCC(C)C(=CC)C TS04350 [1,1,0,0,0,0|1,0,1]=4 755 B7R0.10 CCC(C)C(=O)CC TS04477 [1,1,0,0,0,0|0,0,0]=2 756 B7R0.10 CCC(C)C(=O)OC TS04590 [1,1,0,0,0,0|1,0,0]=3 757 B7R0.10 CCC(C)C(=O)SC TS05776 [1,1,0,0,0,0|1,0,0]=3 758 B7R0.10 CCC(C)C(C)CC TS04508 [1,1,0,0,0,0|1,0,1]=4 759 B7R0.10 CCC(C)C(CC)O TS04626 [1,1,0,0,0,0|0,0,2]=4 760 B7R0.10 COC(=O)C(CBr)Br TS27392 [1,1,0,0,0,0|2,0,0]=4 761 B7R0.10 COC(=O)C(CCl)Cl TS10813 [1,1,0,0,0,0|2,0,0]=4 762 B7R0.10 COC(=O)C(CCl)N TS08717 [1,1,0,0,0,0|2,0,0]=4 763 B7R0.10 COC(=O)C(CO)Cl TS37246 [1,1,0,0,0,0|2,0,0]=4 764 B7R0.10 COC(=O)C(CO)N TS47365 [1,1,0,0,0,0|2,0,0]=4 765 B7R0.10 COC(=O)[C@@H](CCl)N TS45716 [1,1,0,0,0,0|2,0,0]=4 766 B7R0.10 COC(=O)[C@@H](CO)N TS55886 [1,1,0,0,0,0|2,0,0]=4 767 B7R0.10 COC(=O)[C@H](CCl)N TS06211 [1,1,0,0,0,0|2,0,0]=4 768 B7R0.10 COC(=O)[C@H](CO)N TS46686 [1,1,0,0,0,0|2,0,0]=4 769 B7R0.10 COC(=O)[C@H](CS)N TS64915 [1,1,0,0,0,0|2,0,0]=4 770 B7R0.10 COC(C(=O)OC)O TS01782 [1,1,0,0,0,0|2,0,0]=4 771 B7R0.10 C[C@@H](C(=O)OC)NC TS41312 [1,1,0,0,0,0|2,0,0]=4 772 B7R0.10 C[C@@H](CBr)C(=O)OC TS14724 [1,1,0,0,0,0|2,0,0]=4 773 B7R0.10 C[C@@H](CO)C(=O)OC TS59397 [1,1,0,0,0,0|2,0,0]=4 774 B7R0.10 C[C@H](CBr)C(=O)OC TS14720 [1,1,0,0,0,0|2,0,0]=4 775 B7R0.10 C[C@H](CO)C(=O)OC TS32320 [1,1,0,0,0,0|2,0,0]=4 776 B7R0.11 CCCC(C)(C)CC TS32122 [1,1,0,0,0,0|1,0,1]=4 777 B7R0.11 CCCC(C)(CC)Cl TS36886 [1,1,0,0,0,0|1,0,1]=4 778 B7R0.11 CCCC(C)(CC)O TS04623 [1,1,0,0,0,0|0,0,2]=4 779 B7R0.12 CCC=C(CC)CC TS04344 [1,1,0,0,0,0|1,0,1]=4 780 B7R0.12 CCCC(CC)CC TS04503 [1,1,0,0,0,0|1,0,1]=4 781 B7R0.12 CCCC(CC)CO TS32241 [1,1,0,0,0,0|0,0,2]=4 782 B7R0.12 CCCN(CC)CC TS04562 [1,1,0,0,0,0|2,0,0]=4 783 B7R0.12 CCN(CCO)N=O TS32331 [1,1,0,0,0,0|2,0,0]=4 784 B7R0.1 C(CCCBr)CCBr TS07890 [1,1,0,0,0,0|1,0,1]=4 785 B7R0.1 C(CCCBr)CCCl TS00416 [1,1,0,0,0,0|1,0,1]=4 786 B7R0.1 C(CCCBr)CCO TS59727 [1,1,0,0,0,0|1,0,1]=4 787 B7R0.1 C(CCCCl)CCCl TS10546 [1,1,0,0,0,0|1,0,1]=4 788 B7R0.1 C(CCCCl)CCO TS06143 [1,1,0,0,0,0|1,0,1]=4 789 B7R0.1 C(CCCI)CCCl TS27509 [1,1,0,0,0,0|1,0,1]=4 790 B7R0.1 C(CCCN)CCN TS04632 [1,1,0,0,0,0|1,0,1]=4 791 B7R0.1 C(CCCN)CCN TS41228 [1,1,0,0,0,0|1,0,1]=4 792 B7R0.1 C(CCCN)CCN TS41960 [1,1,0,0,0,0|1,0,1]=4 793 B7R0.1 C(CCCN)CCN TS42181 [1,1,0,0,0,0|1,0,1]=4 794 B7R0.1 C(CCCO)CCN TS39356 [1,1,0,0,0,0|1,0,1]=4 795 B7R0.1 C(CCCO)CCO TS46825 [1,1,0,0,0,0|1,0,1]=4 796 B7R0.1 C(CCCS)CCO TS36872 [1,1,0,0,0,0|1,0,1]=4 797 B7R0.1 C(CCCS)CCS TS40940 [1,1,0,0,0,0|1,0,1]=4 798 B7R0.1 C(CCC[Zn+])CCCl TS68903 [1,1,0,0,0,0|1,0,1]=4 799 B7R0.1 C(CN)CNCCBr TS56331 [1,1,0,0,0,0|2,0,0]=4 800 B7R0.1 C(CN)CNCCN TS32302 [1,1,0,0,0,0|2,0,0]=4 801 B7R0.1 C(CN)CNCCO TS56334 [1,1,0,0,0,0|2,0,0]=4 802 B7R0.1 C(CNCCN)CO TS32350 [1,1,0,0,0,0|2,0,0]=4 803 B7R0.1 C(CNCCO)CO TS04790 [1,1,0,0,0,0|2,0,0]=4 804 B7R0.1 CCC#CCCCCl TS36574 [1,1,0,0,0,0|0,0,2]=4 805 B7R0.1 CCC=CCCC=O TS04313 [1,1,0,0,0,0|0,0,2]=4 806 B7R0.1 CCC=CCCCO TS04463 [1,1,0,0,0,0|0,0,1]=3 807 B7R0.1 CCCC#CCCC TS31857 [1,1,0,0,0,0|0,0,1]=3 808 B7R0.1 CCCC#CCCO TS31945 [1,1,0,0,0,0|0,0,2]=4 809 B7R0.1 CCCC=CC=CC TS31845 [1,1,0,0,0,0|0,0,2]=4 810 B7R0.1 CCCC=CCC=C TS31855 [1,1,0,0,0,0|0,0,2]=4 811 B7R0.1 CCCC=CCCC TS31958 [1,1,0,0,0,0|0,0,0]=2 812 B7R0.1 CCCC=CCCO TS04459 [1,1,0,0,0,0|0,0,1]=3 813 B7R0.1 CCCC=COCC TS04469 [1,1,0,0,0,0|0,0,1]=3 814 B7R0.1 CCCCC#CCC TS31859 [1,1,0,0,0,0|0,0,2]=4 815 B7R0.1 CCCCC=CCC TS04348 [1,1,0,0,0,0|0,0,1]=3 816 B7R0.1 CCCCC=CCC TS31974 [1,1,0,0,0,0|0,0,1]=3 817 B7R0.1 CCCCC=CCO TS32112 [1,1,0,0,0,0|1,0,1]=4 818 B7R0.1 CCCCCC#CC TS31856 [1,1,0,0,0,0|0,0,2]=4 819 B7R0.1 CCCCCC=CC TS31964 [1,1,0,0,0,0|0,0,2]=4 820 B7R0.1 CCCCCCC#C TS31852 [1,1,0,0,0,0|0,0,2]=4 821 B7R0.1 CCCCCCC#N TS31893 [1,1,0,0,0,0|0,0,2]=4 822 B7R0.1 CCCCCCC=O TS32096 [1,1,0,0,0,0|0,0,2]=4 823 B7R0.1 CCCCCCCBr TS00035 [1,1,0,0,0,0|0,0,1]=3 824 B7R0.1 CCCCCCCCl TS36887 [1,1,0,0,0,0|0,0,1]=3 825 B7R0.1 CCCCCCCF TS32353 [1,1,0,0,0,0|0,0,1]=3 826 B7R0.1 CCCCCCCI TS52275 [1,1,0,0,0,0|0,0,1]=3 827 B7R0.1 CCCCCCCN TS04552 [1,1,0,0,0,0|0,0,1]=3 828 B7R0.1 CCCCCCCO TS32232 [1,1,0,0,0,0|0,0,1]=3 829 B7R0.1 CCCCCCCS TS05788 [1,1,0,0,0,0|0,0,1]=3 830 B7R0.1 CCCCCCNC TS04559 [1,1,0,0,0,0|0,0,1]=3 831 B7R0.1 CCCCCCOC TS32254 [1,1,0,0,0,0|0,0,1]=3 832 B7R0.1 CCCCCCSC TS05792 [1,1,0,0,0,0|0,0,1]=3 833 B7R0.1 CCCCCNCC TS04550 [1,1,0,0,0,0|0,0,1]=3 834 B7R0.1 CCCCCOCC TS32236 [1,1,0,0,0,0|0,0,1]=3 835 B7R0.1 CCCCCSCC TS36717 [1,1,0,0,0,0|0,0,1]=3 836 B7R0.1 CCCCNCCC TS04557 [1,1,0,0,0,0|0,0,1]=3 837 B7R0.1 CCCCNCCN TS04633 [1,1,0,0,0,0|1,0,1]=4 838 B7R0.1 CCCCNCCO TS32289 [1,1,0,0,0,0|1,0,1]=4 839 B7R0.1 CCCCNCCS TS36787 [1,1,0,0,0,0|1,0,1]=4 840 B7R0.1 CCCCOCCBr TS48031 [1,1,0,0,0,0|1,0,1]=4 841 B7R0.1 CCCCOCCCl TS06142 [1,1,0,0,0,0|1,0,1]=4 842 B7R0.1 CCCCOCCO TS04738 [1,1,0,0,0,0|1,0,1]=4 843 B7R0.1 CCCCSCCC TS05790 [1,1,0,0,0,0|0,0,1]=3 844 B7R0.1 CCCCSCCO TS36874 [1,1,0,0,0,0|1,0,1]=4 845 B7R0.1 CCCCSSCC TS40937 [1,1,0,0,0,0|1,0,1]=4 846 B7R0.1 CCCNCCC#N TS04329 [1,1,0,0,0,0|1,0,1]=4 847 B7R0.1 CCCNCCCN TS32259 [1,1,0,0,0,0|1,0,0]=3 848 B7R0.1 CCCNCCN=O TS04604 [1,1,0,0,0,0|2,0,0]=4 849 B7R0.1 CCCOCCCN TS32295 [1,1,0,0,0,0|1,0,0]=3 850 B7R0.1 CCCSSCCC TS40941 [1,1,0,0,0,0|1,0,0]=3 851 B7R0.1 CCNCCCCN TS36623 [1,1,0,0,0,0|1,0,1]=4 852 B7R0.1 CCNCCCCO TS32294 [1,1,0,0,0,0|1,0,1]=4 853 B7R0.1 CCNCCNCC TS32258 [1,1,0,0,0,0|1,0,1]=4 854 B7R0.1 CCOCCCCCl TS06141 [1,1,0,0,0,0|1,0,1]=4 855 B7R0.1 CCOCCOCC TS32341 [1,1,0,0,0,0|1,0,1]=4 856 B7R0.1 CNCCCCNC TS04634 [1,1,0,0,0,0|1,0,1]=4 857 B7R0.1 CNCCNCCN TS32303 [1,1,0,0,0,0|2,0,0]=4 858 B7R0.1 COCC=CCOC TS04586 [1,1,0,0,0,0|1,0,1]=4 859 B7R0.1 COCCOCCBr TS48373 [1,1,0,0,0,0|2,0,0]=4 860 B7R0.1 COCCOCCCl TS37251 [1,1,0,0,0,0|2,0,0]=4 861 B7R0.1 CSCCCCSC TS40938 [1,1,0,0,0,0|1,0,1]=4 862 B7R0.4 CC(C)CCCCBr TS14341 [1,1,0,0,0,0|1,0,1]=4 863 B7R0.4 CC(C)CCCCCl TS36890 [1,1,0,0,0,0|1,0,1]=4 864 B7R0.4 CC(C)COCCO TS04743 [1,1,0,0,0,0|2,0,0]=4 865 B7R0.4 CC(C)CSCCO TS36873 [1,1,0,0,0,0|2,0,0]=4 866 B7R0.4 CC(CCCCO)O TS04744 [1,1,0,0,0,0|1,0,1]=4 867 B7R0.4 CC(CNCCN)O TS32351 [1,1,0,0,0,0|2,0,0]=4 868 B7R0.4 CCC#CCC(C)C TS04215 [1,1,0,0,0,0|0,0,2]=4 869 B7R0.4 CCC#CCC(C)O TS31938 [1,1,0,0,0,0|0,0,2]=4 870 B7R0.4 CCC=CCC(C)C TS04361 [1,1,0,0,0,0|0,0,1]=3 871 B7R0.4 CCCC=CC(=O)C TS31936 [1,1,0,0,0,0|0,0,2]=4 872 B7R0.4 CCCC=CC(C)C TS04365 [1,1,0,0,0,0|0,0,1]=3 873 B7R0.4 CCCCCC(=C)C TS04340 [1,1,0,0,0,0|0,0,2]=4 874 B7R0.4 CCCCCC(=O)C TS32098 [1,1,0,0,0,0|0,0,2]=4 875 B7R0.4 CCCCCC(C)Br TS14342 [1,1,0,0,0,0|0,0,1]=3 876 B7R0.4 CCCCCC(C)C TS32120 [1,1,0,0,0,0|0,0,1]=3 877 B7R0.4 CCCCCC(C)Cl TS05959 [1,1,0,0,0,0|0,0,1]=3 878 B7R0.4 CCCCCC(C)N TS04560 [1,1,0,0,0,0|0,0,1]=3 879 B7R0.4 CCCCCC(C)O TS32255 [1,1,0,0,0,0|0,0,1]=3 880 B7R0.4 CCCCC[C@@H](C)N TS04556 [1,1,0,0,0,0|0,0,1]=3 881 B7R0.4 CCCCC[C@@H](C)O TS04622 [1,1,0,0,0,0|0,0,1]=3 882 B7R0.4 CCCCC[C@H](C)N TS04553 [1,1,0,0,0,0|0,0,1]=3 883 B7R0.4 CCCCC[C@H](C)O TS32248 [1,1,0,0,0,0|0,0,1]=3 884 B7R0.4 CCCCSC(C)C TS05791 [1,1,0,0,0,0|1,0,1]=4 885 B7R0.4 CCCOCC(C)O TS04740 [1,1,0,0,0,0|1,0,0]=3 886 B7R0.4 CCCSCC(C)C TS05789 [1,1,0,0,0,0|1,0,0]=3 887 B7R0.4 CCSCCC(C)C TS05793 [1,1,0,0,0,0|1,0,1]=4 888 B7R0.4 C[C@H](CCCCO)O TS04737 [1,1,0,0,0,0|1,0,1]=4 889 B9R0.4 CC(C)CC(=O)OCC=C TS06704 [0,2,0,0,0,0|0,0,2]=4 890 B9R0.4 CCCCC(=O)CC(=O)C TS06695 [0,2,0,0,0,0|0,0,1]=3 891 B9R0.4 CCCCC(=O)CC(C)C TS37639 [0,2,0,0,0,0|0,0,0]=2 892 B9R0.4 CCCCC(CC(C)C)O TS40246 [0,2,0,0,0,0|0,0,2]=4 893 B9R0.4 CCCOC(=O)CC(=O)C TS06950 [0,2,0,0,0,0|0,0,1]=3 894 B9R0.4 CCCOC(=O)CC(C)C TS40218 [0,2,0,0,0,0|0,0,0]=2 895 B9R0.5 CCC=CCC(=O)OCC TS06708 [0,2,0,0,0,0|1,0,0]=3 896 B9R0.5 CCCC#CC(=O)OCC TS06461 [0,2,0,0,0,0|1,0,0]=3 897 B9R0.5 CCCC=CC(=O)OCC TS06717 [0,2,0,0,0,0|1,0,0]=3 898 B9R0.5 CCCCCC(=O)CCC TS06764 [0,2,0,0,0,0|0,0,0]=2 899 B9R0.5 CCCCCC(=O)OCC TS06974 [0,2,0,0,0,0|1,0,0]=3 900 B9R0.5 CCCCCC(C)CCC TS37671 [0,2,0,0,0,0|1,0,1]=4 901 B9R0.5 CCCCCC(CCC)O TS40239 [0,2,0,0,0,0|0,0,2]=4 902 B9R0.5 CCCCOC(=O)CC#N TS06591 [0,2,0,0,0,0|1,0,1]=4 903 B9R0.5 CCCCOC(=O)CCC TS40200 [0,2,0,0,0,0|0,0,0]=2 904 B9R0.5 CCCCOC(=O)CCCl TS11957 [0,2,0,0,0,0|1,0,0]=3 905 B9R0.5 CCCCOC(=O)CCS TS11614 [0,2,0,0,0,0|1,0,0]=3 906 B9R0.5 CCOC(=O)CCCCBr TS20688 [0,2,0,0,0,0|1,0,0]=3 907 B9R0.5 CCOC(=O)CCCC[Zn+] TS33641 [0,2,0,0,0,0|1,0,0]=3 908 B9R0.5 CCOC(=O)CCN=C=O TS06833 [0,2,0,0,0,0|1,0,1]=4 909 B9R0.5 CCOC(=O)CNCCN TS49565 [0,2,0,0,0,0|1,0,0]=3 910 B9R0.5 CCOC=CC(=O)OCC TS06939 [0,2,0,0,0,0|1,0,1]=4 911 B9R0.5 CCOCCC(=O)OCC TS00147 [0,2,0,0,0,0|1,0,0]=3 912 B9R0.5 COCCOC(=O)CC#N TS06834 [0,2,0,0,0,0|1,0,1]=4 913 B9R0.8 CCCCC(=O)C(C)CC TS37636 [0,2,0,0,0,0|0,0,0]=2 914 B9R0.8 CCCCC(C(C)CC)O TS07019 [0,2,0,0,0,0|0,0,2]=4 915 B9R0.8 CCCOC(=O)C(=CC)C TS06700 [0,2,0,0,0,0|0,0,2]=4 916 B9R0.8 CCCOC(=O)C(C)CC TS40216 [0,2,0,0,0,0|0,0,0]=2 917 B9R0.18 C(CC(=O)CCCCl)CCl TS48380 [0,2,0,0,0,0|0,0,0]=2 918 B9R0.18 C(CCl)OC(=O)OCCCl TS15753 [0,2,0,0,0,0|2,0,0]=4 919 B9R0.18 C(CO)NC(=O)NCCO TS07426 [0,2,0,0,0,0|2,0,0]=4 920 B9R0.18 CCCCC(=O)CCCC TS39918 [0,2,0,0,0,0|0,0,0]=2 921 B9R0.18 CCCCC(=O)OCC=C TS37596 [0,2,0,0,0,0|0,0,2]=4 922 B9R0.18 CCCCC(=O)OCCC TS06971 [0,2,0,0,0,0|0,0,0]=2 923 B9R0.18 CCCCC(C)CCCC TS06794 [0,2,0,0,0,0|1,0,1]=4 924 B9R0.18 CCCCC(CCCC)N TS06896 [0,2,0,0,0,0|1,0,1]=4 925 B9R0.18 CCCCC(CCCC)O TS40240 [0,2,0,0,0,0|0,0,2]=4 926 B9R0.18 CCCCN(C)CCCC TS06888 [0,2,0,0,0,0|2,0,0]=4 927 B9R0.18 CCCCN(CCCC)Cl TS11776 [0,2,0,0,0,0|2,0,0]=4 928 B9R0.18 CCCCS(=O)CCCC TS42514 [0,2,0,0,0,0|1,0,0]=3 929 B9R0.18 CCCC[Sn](=O)CCCC TS27846 [0,2,0,0,0,0|1,0,0]=3 930 B9R0.18 CCCC[Sn](=S)CCCC TS30112 [0,2,0,0,0,0|1,1,0]=4 931 B9R0.18 CCCNC(=O)NCCC TS00377 [0,2,0,0,0,0|0,0,0]=2 932 B9R0.18 CCCNC(=S)NCCC TS42227 [0,2,0,0,0,0|0,1,0]=3 933 B9R0.18 CCCOC(=O)OCCC TS40429 [0,2,0,0,0,0|0,0,0]=2 934 B9R0.18 CCCOP([O-])OCCC TS43022 [0,2,0,0,0,0|1,0,1]=4 935 B9R0.18 CCCOS(=O)OCCC TS12274 [0,2,0,0,0,0|1,0,0]=3 936 B9R0.18 CCOCC(COCC)O TS40636 [0,2,0,0,0,0|0,0,2]=4 937 B9R0.18 CN(CCCN)CCCN TS40346 [0,2,0,0,0,0|2,0,0]=4 938 B9R0.18 CNCCN(C)CCNC TS40344 [0,2,0,0,0,0|2,0,0]=4 939 B9R0.18 COCNC(=O)NCOC TS07427 [0,2,0,0,0,0|2,0,0]=4 940 B9R0.34 CCC(=O)CC(=O)OCC TS01475 [0,2,0,0,0,0|1,0,0]=3 941 B9R0.34 CCC(C)OC(=O)C=CC TS37594 [0,2,0,0,0,0|0,0,2]=4 942 B9R0.34 CCCC(=O)CC(=O)OC TS08578 [0,2,0,0,0,0|0,0,1]=3 943 B9R0.34 CCCC(C)CC(C)CC TS06787 [0,2,0,0,0,0|1,0,1]=4 944 B9R0.34 CCOC(=O)CC(=O)CBr TS70980 [0,2,0,0,0,0|1,0,1]=4 945 B9R0.34 CCOC(=O)CC(=O)CCl TS42828 [0,2,0,0,0,0|1,0,1]=4 946 B9R0.34 CCOC(=O)CC(C)SC TS11613 [0,2,0,0,0,0|1,0,0]=3 947 B9R0.34 CCOC(=O)C[C@@H](CBr)O TS21056 [0,2,0,0,0,0|1,0,0]=3 948 B9R0.34 CCOC(=O)C[C@@H](CCl)O TS08648 [0,2,0,0,0,0|1,0,0]=3 949 B9R0.34 CCOC(=O)C[C@H](CBr)O TS21055 [0,2,0,0,0,0|1,0,0]=3 950 B9R0.34 CCOC(=O)C[C@H](CCl)O TS39748 [0,2,0,0,0,0|1,0,0]=3 951 B9R0.34 COCC(=O)CC(=O)OC TS07163 [0,2,0,0,0,0|1,0,1]=4 952 B9R0.35 CCC=C(C)C(=O)OCC TS37603 [0,2,0,0,0,0|1,0,1]=4 953 B9R0.35 CCCC(=O)C(=O)OCC TS85095 [0,2,0,0,0,0|0,0,1]=3 954 B9R0.35 CCCC(C(=O)CCC)O TS40202 [0,2,0,0,0,0|0,0,0]=2 955 B9R0.35 CCCC(C(=O)OCC)Br TS20692 [0,2,0,0,0,0|1,0,0]=3 956 B9R0.35 CCCC(C(=O)OCC)O TS40414 [0,2,0,0,0,0|1,0,0]=3 957 B9R0.35 CCCC(C)C(=O)CCC TS06752 [0,2,0,0,0,0|0,0,0]=2 958 B9R0.35 CCCC(C)C(=O)OCC TS06992 [0,2,0,0,0,0|1,0,0]=3 959 B9R0.35 CCCC(C)C(CCC)O TS07017 [0,2,0,0,0,0|0,0,2]=4 960 B9R0.35 CCC[C@@H](C(=O)OCC)N TS48149 [0,2,0,0,0,0|1,0,0]=3 961 B9R0.35 CCNC(=O)C(=O)NCC TS40173 [0,2,0,0,0,0|1,0,1]=4 962 B9R0.35 CCOC(=O)C(=O)OCC TS01436 [0,2,0,0,0,0|1,0,1]=4 963 B9R0.35 CCOC(=O)C(C)C=CC TS37595 [0,2,0,0,0,0|1,0,1]=4 964 B9R0.35 CCOC(=O)C(C)SSC TS14672 [0,2,0,0,0,0|2,0,0]=4 965 B9R0.35 CCOC(=O)C(CCBr)Br TS64882 [0,2,0,0,0,0|1,0,0]=3 966 B9R0.35 CCOC(C(=O)OCC)Cl TS12302 [0,2,0,0,0,0|1,0,0]=3 967 B9R0.35 CCOC(C(=O)OCC)O TS07404 [0,2,0,0,0,0|1,0,0]=3 968 B9R0.35 CCOC(C)C(=O)OCC TS40412 [0,2,0,0,0,0|1,0,0]=3 969 B9R0.48 CC(C)COC(=O)CC#N TS37491 [0,2,0,0,0,0|1,0,1]=4 970 B9R0.48 CC(C)COC(=O)CC=C TS06693 [0,2,0,0,0,0|0,0,2]=4 971 B9R0.48 CC=CC(=O)OCC(C)C TS37601 [0,2,0,0,0,0|0,0,2]=4 972 B9R0.48 CCCC(=O)CCC(=O)C TS06705 [0,2,0,0,0,0|0,0,0]=2 973 B9R0.48 CCCC(=O)OCC(C)C TS06993 [0,2,0,0,0,0|0,0,0]=2 974 B9R0.48 CCCC(C)CCC(=O)C TS37638 [0,2,0,0,0,0|1,0,1]=4 975 B9R0.48 CCOC(=O)CCC(=O)C TS60125 [0,2,0,0,0,0|1,0,0]=3 976 B9R0.48 CCOC(=O)CCC(=O)N TS40295 [0,2,0,0,0,0|1,0,1]=4 977 B9R0.48 CCOC(=O)CCC(=O)[O-] TS40374 [0,2,0,0,0,0|1,0,1]=4 978 B9R0.48 CCOC(=O)CCC(C)C TS06969 [0,2,0,0,0,0|1,0,0]=3 979 B9R0.48 CCOC(=O)CCC(C)Cl TS09014 [0,2,0,0,0,0|1,0,0]=3 980 B9R0.48 CCOC(=O)CCN(C)C TS07109 [0,2,0,0,0,0|1,0,0]=3 981 B9R0.48 CCOC(=O)CC[N+](=O)[O-] TS40507 [0,2,0,0,0,0|2,0,0]=4 982 B9R0.48 CCOC(=O)CNC(=O)C TS40290 [0,2,0,0,0,0|1,0,1]=4 983 B9R0.66 CCCCC(C)(C)CCC TS06784 [0,2,0,0,0,0|1,0,1]=4 984 B9R0.66 CCCCC(C)(CCC)O TS07022 [0,2,0,0,0,0|0,0,2]=4 985 B9R0.6 CCCC(C(C)C(C)O)O TS07251 [0,2,0,0,0,0|0,0,2]=4 986 B9R0.6 CCCC(C)C(C(C)C)O TS40244 [0,2,0,0,0,0|1,0,1]=4 987 B9R0.6 CCOC(=O)C(=O)C(C)C TS06953 [0,2,0,0,0,0|1,0,1]=4 988 B9R0.6 CCOC(=O)C(C(=O)C)Cl TS00067 [0,2,0,0,0,0|1,0,1]=4 989 B9R0.6 CCOC(=O)C(C(=O)C)F TS40607 [0,2,0,0,0,0|1,0,1]=4 990 B9R0.6 CCOC(=O)C(C(C)Br)Br TS74395 [0,2,0,0,0,0|1,0,0]=3 991 B9R0.6 CCOC(=O)C(C(C)C)Br TS55905 [0,2,0,0,0,0|1,0,0]=3 992 B9R0.6 CCOC(=O)C(C(C)C)N TS48167 [0,2,0,0,0,0|1,0,0]=3 993 B9R0.6 CCOC(=O)C(C)C(=O)C TS00094 [0,2,0,0,0,0|1,0,1]=4 994 B9R0.6 CCOC(=O)[C@@H](C(C)C)N TS48159 [0,2,0,0,0,0|1,0,0]=3 995 B9R0.6 CCOC(=O)[C@H](C(C)C)N TS48151 [0,2,0,0,0,0|1,0,0]=3 996 B9R0.6 CCOC(=O)[C@H]([C@@H](C)O)N TS48480 [0,2,0,0,0,0|1,0,0]=3 997 B9R0.19 CCOC(=O)C(C)(C)CCl TS11951 [0,2,0,0,0,0|2,0,0]=4 998 B9R0.19 CCOC(=O)C(C)(CBr)Br TS74393 [0,2,0,0,0,0|2,0,0]=4 999 B9R0.23 CC(C)OC(=O)[C@H](CS)N TS37821 [0,2,0,0,0,0|2,0,0]=4 1000 B9R0.23 CCC(C)C(=O)OC(C)C TS40221 [0,2,0,0,0,0|1,0,0]=3 1001 B9R0.27 CCC(C)C(=O)C(C)CC TS06741 [0,2,0,0,0,0|0,0,0]=2 1002 B9R0.27 CCC(C)C(C(C)CC)O TS40245 [0,2,0,0,0,0|0,0,2]=4 1003 B9R0.27 CCC(C)C(C)C(C)CC TS06790 [0,2,0,0,0,0|1,0,1]=4 1004 B9R0.37 CCC(CC)C(=O)OCC TS40212 [0,2,0,0,0,0|1,0,0]=3 1005 B9R0.37 CCCC(=O)C(CC)CC TS06749 [0,2,0,0,0,0|0,0,0]=2 1006 B9R0.37 CCCC(=O)N(CC)CC TS40109 [0,2,0,0,0,0|1,0,0]=3 1007 B9R0.37 CCCC(C(CC)CC)O TS40236 [0,2,0,0,0,0|0,0,2]=4 1008 B9R0.37 CCCC(C(CC)CO)O TS07259 [0,2,0,0,0,0|0,0,2]=4 1009 B9R0.37 CCCC(C(CC)C[O-])[O-] TS84241 [0,2,0,0,0,0|0,0,2]=4 1010 B9R0.37 CCN(CC)C(=O)CCN TS14701 [0,2,0,0,0,0|2,0,0]=4 1011 B9R0.37 CCOC(=O)C(CBr)CBr TS74396 [0,2,0,0,0,0|2,0,0]=4 1012 B9R0.44 CC(C)(C)NC(=O)CCN TS14702 [0,2,0,0,0,0|2,0,0]=4 1013 B9R0.44 CC(C)(C)OC(=O)CCN TS55767 [0,2,0,0,0,0|2,0,0]=4 1014 B9R0.44 CC(C)(C)OC(=O)CNC TS01707 [0,2,0,0,0,0|2,0,0]=4 1015 B9R0.44 CCCC(=O)O[Si](C)(C)C TS11316 [0,2,0,0,0,0|1,1,0]=4 1016 B9R0.44 CCOC(=O)CC(C)(C)C TS06982 [0,2,0,0,0,0|1,0,0]=3 1017 B9R0.44 CCOC(=O)CC(F)(F)F TS10642 [0,2,0,0,0,0|2,0,0]=4 1018 B9R0.44 CCOC(=O)CS(=O)(=O)C TS43088 [0,2,0,0,0,0|2,0,0]=4 1019 B9R0.44 CCOC(=O)C[Si](C)(C)C TS11315 [0,2,0,0,0,0|1,1,0]=4 1020 B9R0.44 COCC(=O)CS(=O)(=O)C TS43090 [0,2,0,0,0,0|2,0,0]=4 1021 B9R0.53 CC(C)CC(=CC(C)C)C TS06519 [0,2,0,0,0,0|1,0,1]=4 1022 B9R0.53 CC(C)CC(=O)CC(=O)C TS06714 [0,2,0,0,0,0|0,0,1]=3 1023 B9R0.53 CC(C)CC(=O)CC(C)C TS06759 [0,2,0,0,0,0|0,0,0]=2 1024 B9R0.53 CC(C)CC(=O)OC(C)C TS40215 [0,2,0,0,0,0|1,0,0]=3 1025 B9R0.53 CC(C)CC(=S)OC(C)C TS42226 [0,2,0,0,0,0|1,1,0]=4 1026 B9R0.53 CC(C)CC(C)CC(C)C TS06795 [0,2,0,0,0,0|1,0,1]=4 1027 B9R0.53 CC(C)CC(CC(C)C)O TS40237 [0,2,0,0,0,0|0,0,2]=4 1028 B9R0.53 CC(C)CN(C)CC(C)C TS06886 [0,2,0,0,0,0|2,0,0]=4 1029 B9R0.53 CC(C)C[SiH](CC(C)C)Cl TS14317 [0,2,0,0,0,0|1,1,0]=4 1030 B9R0.53 CC(C)OC(=O)CC(=O)C TS06935 [0,2,0,0,0,0|1,0,1]=4 1031 B9R0.53 CC(C)OC(=O)OC(C)C TS07212 [0,2,0,0,0,0|2,0,0]=4 1032 B9R0.53 CC(C)OC(=O)OC(C)Cl TS12301 [0,2,0,0,0,0|2,0,0]=4 1033 B9R0.53 CC(CN(C)CC(C)O)O TS07366 [0,2,0,0,0,0|2,0,0]=4 1034 B9R0.15 CCCC(=CCC)C(=O)O TS37607 [0,2,0,0,0,0|0,0,1]=3 1035 B9R0.15 CCCC(CCC)C(=O)N TS40107 [0,2,0,0,0,0|0,0,1]=3 1036 B9R0.15 CCCC(CCC)C(=O)[O-] TS43086 [0,2,0,0,0,0|0,0,1]=3 1037 B9R0.15 CCCC(CCC)C(=O)[O-] TS76446 [0,2,0,0,0,0|0,0,1]=3 1038 B9R0.17 CCCC(=CCC)CCC TS37438 [0,2,0,0,0,0|1,0,0]=3 1039 B9R0.17 CCCC(CCC)CCC TS06781 [0,2,0,0,0,0|1,0,1]=4 1040 B9R0.17 CCCC(CCC)CCO TS40247 [0,2,0,0,0,0|0,0,2]=4 1041 B9R0.17 CCCN(CCC)CC#C TS06400 [0,2,0,0,0,0|2,0,0]=4 1042 B9R0.17 CCCN(CCC)CC#N TS37420 [0,2,0,0,0,0|2,0,0]=4 1043 B9R0.17 CCCN(CCC)CCC TS06889 [0,2,0,0,0,0|2,0,0]=4 1044 B9R0.17 CCCN(CCC)CCN TS07035 [0,2,0,0,0,0|2,0,0]=4 1045 B9R0.17 CCCN(CCC)CCO TS40333 [0,2,0,0,0,0|1,0,1]=4 1046 B9R0.17 CCCP(CCC)CCC TS11299 [0,2,0,0,0,0|2,0,0]=4 1047 B9R0.17 CCC[Al](CCC)CCC TS41672 [0,2,0,0,0,0|2,0,0]=4 1048 B9R0.17 CCC[SiH](CCC)CCC TS11073 [0,2,0,0,0,0|1,1,0]=4 1049 B7R1.1 C1CC=C(C1)CBr TS90531 [1,0,0,1,0,0|2,0,0]=4 1050 B7R1.1 CC=C1CCCC1 TS03729 [1,0,0,1,0,0|1,0,1]=4 1051 B7R1.1 CCC1=CCCC1 TS03731 [1,0,0,1,0,0|1,0,0]=3 1052 B7R1.1 CCC1=NCCO1 TS03816 [1,0,0,1,0,0|1,0,1]=4 1053 B7R1.1 CCC1CCCC1 TS21020 [1,0,0,1,0,0|1,0,1]=4 1054 B7R1.1 CCC1CCCC1 TS21612 [1,0,0,1,0,0|1,0,1]=4 1055 B7R1.1 CCC1CCCC1 TS35071 [1,0,0,1,0,0|1,0,1]=4 1056 B7R1.1 CCC1CCCC1 TS57108 [1,0,0,1,0,0|1,0,1]=4 1057 B7R1.1 CCC1CCCC1 TS57519 [1,0,0,1,0,0|1,0,1]=4 1058 B7R1.1 CCC1CCCC1 TS62096 [1,0,0,1,0,0|1,0,1]=4 1059 B7R1.1 CCC1CCCC1 TS70230 [1,0,0,1,0,0|1,0,1]=4 1060 B7R1.1 CCC1CCCC1 TS70344 [1,0,0,1,0,0|1,0,1]=4 1061 B7R1.1 CCC1CCCC1 TS75798 [1,0,0,1,0,0|1,0,1]=4 1062 B7R1.1 CCC1CCCC1 TS78923 [1,0,0,1,0,0|1,0,1]=4 1063 B7R1.1 CCC1CCCC1 TS80049 [1,0,0,1,0,0|1,0,1]=4 1064 B7R1.1 CCN1CCCC1 TS03828 [1,0,0,1,0,0|2,0,0]=4 1065 B7R1.1 COC1=NCCC1 TS03819 [1,0,0,1,0,0|2,0,0]=4 1066 B7R1.2 C1C(CNC1=O)N TS87465 [1,0,0,1,0,0|2,0,0]=4 1067 B7R1.2 C1C(COC1=O)O TS31581 [1,0,0,1,0,0|2,0,0]=4 1068 B7R1.2 C1CC(=O)CC1=O TS46791 [1,0,0,1,0,0|1,0,1]=4 1069 B7R1.2 C1[C@@H](CNC1=O)O TS00313 [1,0,0,1,0,0|2,0,0]=4 1070 B7R1.2 C1[C@@H](CNC1=O)S TS04685 [1,0,0,1,0,0|2,0,0]=4 1071 B7R1.2 C1[C@@H](COC1=O)N TS37130 [1,0,0,1,0,0|2,0,0]=4 1072 B7R1.2 C1[C@@H](COC1=O)O TS33101 [1,0,0,1,0,0|2,0,0]=4 1073 B7R1.2 C1[C@H](CNC1=O)O TS01973 [1,0,0,1,0,0|2,0,0]=4 1074 B7R1.2 C1[C@H](CNC1=O)S TS04686 [1,0,0,1,0,0|2,0,0]=4 1075 B7R1.2 C1[C@H](COC1=O)O TS46585 [1,0,0,1,0,0|2,0,0]=4 1076 B7R1.2 CC1=CC(=O)CC1 TS60019 [1,0,0,1,0,0|0,0,2]=4 1077 B7R1.2 CC1COC(=O)O1 TS08062 [1,0,0,1,0,0|2,0,0]=4 1078 B7R1.2 CC1COC(=O)O1 TS93060 [1,0,0,1,0,0|2,0,0]=4 1079 B7R1.2 C[C@@H]1CCC(=O)O1 TS31495 [1,0,0,1,0,0|1,0,0]=3 1080 B7R1.2 C[C@@H]1CC[C@@H](C1)C TS03800 [1,0,0,1,0,0|1,0,1]=4 1081 B7R1.2 C[C@@H]1COC(=O)N1 TS31548 [1,0,0,1,0,0|2,0,0]=4 1082 B7R1.2 C[C@H]1CC[C@@H](C1)C TS31449 [1,0,0,1,0,0|1,0,1]=4 1083 B7R1.2 C[C@H]1COC(=O)N1 TS31534 [1,0,0,1,0,0|2,0,0]=4 1084 B7R1.2 C[C@H]1COC(=O)O1 TS94519 [1,0,0,1,0,0|2,0,0]=4 1085 B7R1.3 C1CC(=O)CNC1 TS02886 [1,0,0,1,0,0|1,0,0]=3 1086 B7R1.3 C1CC(=O)CNC1 TS59353 [1,0,0,1,0,0|1,0,0]=3 1087 B7R1.3 C1CC(=O)COC1 TS22954 [1,0,0,1,0,0|1,0,0]=3 1088 B7R1.3 C1CC(=O)COC1 TS89862 [1,0,0,1,0,0|1,0,0]=3 1089 B7R1.3 C1CC(=O)CSC1 TS90226 [1,0,0,1,0,0|1,0,0]=3 1090 B7R1.3 C1CC=CC(=O)C1 TS39840 [1,0,0,1,0,0|0,0,2]=4 1091 B7R1.3 C1CCC(=CC1)Cl TS04654 [1,0,0,1,0,0|1,0,1]=4 1092 B7R1.3 C1CCC(=O)CC1 TS31441 [1,0,0,1,0,0|0,0,0]=2 1093 B7R1.3 C1CCC(CC1)Br TS33231 [1,0,0,1,0,0|1,0,1]=4 1094 B7R1.3 C1CCC(CC1)Cl TS39830 [1,0,0,1,0,0|1,0,1]=4 1095 B7R1.3 C1CCC(CC1)F TS31606 [1,0,0,1,0,0|1,0,1]=4 1096 B7R1.3 C1CCC(CC1)I TS43723 [1,0,0,1,0,0|1,0,1]=4 1097 B7R1.3 C1CCC(CC1)N TS03833 [1,0,0,1,0,0|1,0,1]=4 1098 B7R1.3 C1CCC(CC1)N TS06026 [1,0,0,1,0,0|1,0,1]=4 1099 B7R1.3 C1CCC(CC1)N TS14508 [1,0,0,1,0,0|1,0,1]=4 1100 B7R1.3 C1CCC(CC1)N TS18426 [1,0,0,1,0,0|1,0,1]=4 1101 B7R1.3 C1CCC(CC1)O TS31506 [1,0,0,1,0,0|0,0,2]=4 1102 B7R1.3 C1CCC(CC1)P TS04576 [1,0,0,1,0,0|1,0,1]=4 1103 B7R1.3 C1CCC(CC1)[NH3+] TS60878 [1,0,0,1,0,0|1,0,1]=4 1104 B7R1.3 C1CCC(CC1)[Zn+] TS24609 [1,0,0,1,0,0|1,0,1]=4 1105 B7R1.3 C1CCN(CC1)N TS03873 [1,0,0,1,0,0|2,0,0]=4 1106 B7R1.3 C1CCN(CC1)N TS06144 [1,0,0,1,0,0|2,0,0]=4 1107 B7R1.3 C1CCN(CC1)O TS31559 [1,0,0,1,0,0|1,0,1]=4 1108 B7R1.3 C1CCNC(=N)C1 TS05957 [1,0,0,1,0,0|2,0,0]=4 1109 B7R1.3 C1CCNC(=O)C1 TS01420 [1,0,0,1,0,0|1,0,0]=3 1110 B7R1.3 C1CCOC(=O)C1 TS01892 [1,0,0,1,0,0|1,0,0]=3 1111 B7R1.3 C1CNC(=O)CN1 TS59349 [1,0,0,1,0,0|2,0,0]=4 1112 B7R1.3 C1CNC(=O)NC1 TS59429 [1,0,0,1,0,0|2,0,0]=4 1113 B7R1.3 C1CNCCC1=O TS02248 [1,0,0,1,0,0|1,0,0]=3 1114 B7R1.3 C1CNCCC1=O TS71284 [1,0,0,1,0,0|1,0,0]=3 1115 B7R1.3 C1COC(=O)CO1 TS31576 [1,0,0,1,0,0|2,0,0]=4 1116 B7R1.3 C1COC(=O)OC1 TS31584 [1,0,0,1,0,0|2,0,0]=4 1117 B7R1.3 C1COCC(=O)N1 TS01573 [1,0,0,1,0,0|2,0,0]=4 1118 B7R1.3 C1COCCC1=O TS59431 [1,0,0,1,0,0|1,0,0]=3 1119 B7R1.3 C1CSCCC1=O TS59432 [1,0,0,1,0,0|1,0,0]=3 1120 B7R1.3 CC1CCCCC1 TS02317 [1,0,0,1,0,0|1,0,1]=4 1121 B7R1.3 CN1CCCCC1 TS03834 [1,0,0,1,0,0|2,0,0]=4 1122 B7R1.4 C1CC(C(=O)C1)Br TS55161 [1,0,0,1,0,0|1,0,0]=3 1123 B7R1.4 C1CC(C(=O)C1)Cl TS04768 [1,0,0,1,0,0|1,0,0]=3 1124 B7R1.4 C1CNC(=O)C1N TS94857 [1,0,0,1,0,0|2,0,0]=4 1125 B7R1.4 C1CNC(=O)C1O TS02803 [1,0,0,1,0,0|2,0,0]=4 1126 B7R1.4 C1CNC(=O)[C@H]1O TS31546 [1,0,0,1,0,0|2,0,0]=4 1127 B7R1.4 C1COC(=O)C1Br TS65029 [1,0,0,1,0,0|2,0,0]=4 1128 B7R1.4 C1COC(=O)C1O TS70622 [1,0,0,1,0,0|2,0,0]=4 1129 B7R1.4 C1COC(=O)[C@@H]1N TS06210 [1,0,0,1,0,0|2,0,0]=4 1130 B7R1.4 C1COC(=O)[C@H]1N TS37131 [1,0,0,1,0,0|2,0,0]=4 1131 B7R1.4 C1CSC(=O)C1N TS41321 [1,0,0,1,0,0|2,0,0]=4 1132 B7R1.4 C1CSC(=O)[C@H]1N TS41320 [1,0,0,1,0,0|2,0,0]=4 1133 B7R1.4 CC1=C(CCC1)C TS03727 [1,0,0,1,0,0|1,0,1]=4 1134 B7R1.4 CC1=CCCC1=O TS31367 [1,0,0,1,0,0|0,0,2]=4 1135 B7R1.4 CC1C(=O)CCO1 TS31501 [1,0,0,1,0,0|1,0,0]=3 1136 B7R1.4 CC1C(=O)CCS1 TS04612 [1,0,0,1,0,0|1,0,0]=3 1137 B7R1.4 CC1CCC=C1C TS31386 [1,0,0,1,0,0|1,0,1]=4 1138 B7R1.4 CC1CCNC1=O TS70662 [1,0,0,1,0,0|1,0,0]=3 1139 B7R1.4 CC1CCOC1=O TS59696 [1,0,0,1,0,0|1,0,0]=3 1140 B7R1.4 CN1CCCC1=O TS46986 [1,0,0,1,0,0|1,0,0]=3 1141 B7R1.4 C[C@@H]1CCC[C@@H]1C TS03788 [1,0,0,1,0,0|1,0,1]=4 1142 B7R1.4 C[C@@H]1CCC[C@H]1C TS03797 [1,0,0,1,0,0|1,0,1]=4 1143 B7R1.8 C1CC(=O)C1CO TS92430 [1,0,0,1,0,0|1,0,0]=3 1144 B7R1.22 C1CC1C(=O)CBr TS55070 [1,0,0,1,0,0|1,0,0]=3 1145 B7R1.22 C1CC1C(=O)NN TS55829 [1,0,0,1,0,0|2,0,0]=4 1146 B7R1.22 CCC(C)C1CC1 TS03799 [1,0,0,1,0,0|1,0,1]=4 1147 B7R1.22 COC(=O)C1CC1 TS77154 [1,0,0,1,0,0|1,0,0]=3 1148 B7R1.22 COC(=O)C1CN1 TS31541 [1,0,0,1,0,0|2,0,0]=4 1149 B7R1.22 COC(=O)[C@@H]1CN1 TS31535 [1,0,0,1,0,0|2,0,0]=4 1150 B7R1.22 COC(=O)[C@@H]1CO1 TS31582 [1,0,0,1,0,0|2,0,0]=4 1151 B7R1.22 COC(=O)[C@H]1CN1 TS31537 [1,0,0,1,0,0|2,0,0]=4 1152 B7R1.22 COC(=O)[C@H]1CO1 TS46617 [1,0,0,1,0,0|2,0,0]=4 1153 B7R1.7 C1CC1OCCCl TS46506 [1,0,0,1,0,0|2,0,0]=4 1154 B7R1.7 CCCCC1CO1 TS31525 [1,0,0,1,0,0|1,0,1]=4 1155 B7R1.7 CCCC[C@@H]1CO1 TS31508 [1,0,0,1,0,0|1,0,1]=4 1156 B7R1.24 C1CCC=CCC1 TS31384 [1,0,0,1,0,0|0,0,1]=3 1157 B7R1.24 C1CCCCCC1 TS03793 [1,0,0,1,0,0|0,0,1]=3 1158 B7R1.24 C1CCCNCC1 TS39804 [1,0,0,1,0,0|1,0,0]=3 1159 B7R1.24 C1CCCOCC1 TS31519 [1,0,0,1,0,0|1,0,0]=3 1160 B7R1.24 C1CCCSCC1 TS04639 [1,0,0,1,0,0|1,0,0]=3 1161 B7R1.24 C1CCOCOC1 TS03952 [1,0,0,1,0,0|2,0,0]=4 1162 B7R1.24 C1CCSCSC1 TS36881 [1,0,0,1,0,0|2,0,0]=4 1163 B7R1.24 C1CNCCNC1 TS08536 [1,0,0,1,0,0|2,0,0]=4 1164 B7R1.24 C1CNCCOC1 TS02067 [1,0,0,1,0,0|2,0,0]=4 1165 B9R1.2 C1CC(CC(C1)N)CN TS36364 [0,1,0,1,0,0|1,0,1]=4 1166 B9R1.2 C1CNC(=O)CC1CN TS90526 [0,1,0,1,0,0|1,0,0]=3 1167 B9R1.2 C1CNC(=O)CC1CO TS87561 [0,1,0,1,0,0|1,0,0]=3 1168 B9R1.2 CCC1CCCC(C1)C TS36177 [0,1,0,1,0,0|1,0,1]=4 1169 B9R1.2 CCN1CCCC(=O)C1 TS11774 [0,1,0,1,0,0|0,0,0]=2 1170 B9R1.2 CCN1CCCC(=O)C1 TS36243 [0,1,0,1,0,0|0,0,0]=2 1171 B9R1.2 CCN1CCCC(C1)Cl TS07397 [0,1,0,1,0,0|1,0,1]=4 1172 B9R1.2 CCN1CCCC(C1)N TS36358 [0,1,0,1,0,0|1,0,1]=4 1173 B9R1.2 CCN1CCCC(C1)O TS05480 [0,1,0,1,0,0|0,0,2]=4 1174 B9R1.2 CC[C@H]1CCC[C@H](C1)C TS05224 [0,1,0,1,0,0|1,0,1]=4 1175 B9R1.2 CN1CCCC(C1)CCl TS15229 [0,1,0,1,0,0|2,0,0]=4 1176 B9R1.2 CN1CCCC(C1)CN TS36366 [0,1,0,1,0,0|2,0,0]=4 1177 B9R1.2 CN1CCCC(C1)CO TS36419 [0,1,0,1,0,0|2,0,0]=4 1178 B9R1.2 CN1CCC[C@@H](C1)CN TS87230 [0,1,0,1,0,0|2,0,0]=4 1179 B9R1.2 CN1CCC[C@H](C1)CN TS85884 [0,1,0,1,0,0|2,0,0]=4 1180 B9R1.2 COC1=CC(=O)CCC1 TS05158 [0,1,0,1,0,0|0,0,2]=4 1181 B9R1.7 CCCC1OCC(O1)C TS05559 [0,1,0,1,0,0|0,0,2]=4 1182 B9R1.8 C1CCC(=CC1)CCN TS05119 [0,1,0,1,0,0|2,0,0]=4 1183 B9R1.8 CCCC1CCCCC1 TS36184 [0,1,0,1,0,0|1,0,1]=4 1184 B9R1.8 CCCC1CCCCN1 TS02180 [0,1,0,1,0,0|1,0,1]=4 1185 B9R1.8 CCCC1CCCCN1 TS11779 [0,1,0,1,0,0|1,0,1]=4 1186 B9R1.8 CCCC1CCCCO1 TS05388 [0,1,0,1,0,0|0,0,2]=4 1187 B9R1.8 CCCC1CCNCC1 TS11777 [0,1,0,1,0,0|1,0,1]=4 1188 B9R1.8 CCCC1CCNCC1 TS36258 [0,1,0,1,0,0|1,0,1]=4 1189 B9R1.8 CCCN1CCNCC1 TS59318 [0,1,0,1,0,0|2,0,0]=4 1190 B9R1.8 CCOC1=CCCCC1 TS05194 [0,1,0,1,0,0|2,0,0]=4 1191 B9R1.12 C1CCN(C1)CCCBr TS51408 [0,1,0,1,0,0|2,0,0]=4 1192 B9R1.12 C1CCN(C1)CCCBr TS74306 [0,1,0,1,0,0|2,0,0]=4 1193 B9R1.12 C1CCN(C1)CCCCl TS08154 [0,1,0,1,0,0|2,0,0]=4 1194 B9R1.12 C1CCN(C1)CCCCl TS15230 [0,1,0,1,0,0|2,0,0]=4 1195 B9R1.12 C1CCN(C1)CCCN TS36353 [0,1,0,1,0,0|2,0,0]=4 1196 B9R1.12 C1CCN(C1)CCCO TS36426 [0,1,0,1,0,0|2,0,0]=4 1197 B9R1.12 CCCCC1=CCCC1 TS05061 [0,1,0,1,0,0|1,0,0]=3 1198 B9R1.12 CCCCC1CCCC1 TS36178 [0,1,0,1,0,0|1,0,1]=4 1199 B9R1.12 CCCCC1CCCC1 TS61460 [0,1,0,1,0,0|1,0,1]=4 1200 B9R1.12 CCCCC1CCCC1 TS66426 [0,1,0,1,0,0|1,0,1]=4 1201 B9R1.12 CCCCC1CCCC1 TS71915 [0,1,0,1,0,0|1,0,1]=4 1202 B9R1.12 CCCCC1CCCC1 TS81233 [0,1,0,1,0,0|1,0,1]=4 1203 B9R1.12 CCCCC1CCCC1 TS81832 [0,1,0,1,0,0|1,0,1]=4 1204 B9R1.12 CCCCC1CCCC1 TS83585 [0,1,0,1,0,0|1,0,1]=4 1205 B9R1.12 CCCCN1CCCC1 TS00426 [0,1,0,1,0,0|2,0,0]=4 1206 B9R1.12 CCOCC1CCCO1 TS36503 [0,1,0,1,0,0|0,0,2]=4 1207 B9R1.15 C1CCC(=O)C(C1)C#N TS04966 [0,1,0,1,0,0|1,0,1]=4 1208 B9R1.15 C1CNCC(C1=O)C#N TS02035 [0,1,0,1,0,0|1,0,1]=4 1209 B9R1.15 CC=C1CCCCC1=O TS36005 [0,1,0,1,0,0|0,0,2]=4 1210 B9R1.15 CCC1C(=O)NCCN1 TS05358 [0,1,0,1,0,0|1,0,0]=3 1211 B9R1.15 CC[C@@H]1CCCC[C@@H]1C TS05230 [0,1,0,1,0,0|1,0,1]=4 1212 B9R1.15 CC[C@@H]1CCCC[C@H]1C TS05214 [0,1,0,1,0,0|1,0,1]=4 1213 B9R1.15 COC1CCCCC1=O TS05343 [0,1,0,1,0,0|1,0,0]=3 1214 B9R1.15 COC1CCCNC1=O TS00160 [0,1,0,1,0,0|1,0,0]=3 1215 B9R1.15 COC1COCCC1=O TS87427 [0,1,0,1,0,0|1,0,0]=3 1216 B9R1.15 CO[C@H]1CCCCC1=O TS36300 [0,1,0,1,0,0|1,0,0]=3 1217 B9R1.15 CSC1CCCCC1=O TS40228 [0,1,0,1,0,0|1,0,0]=3 1218 B9R1.27 CCC1=C(CNC1=O)C TS16736 [0,1,0,1,0,0|0,0,2]=4 1219 B9R1.27 CCC1C(=O)CCC1=O TS36119 [0,1,0,1,0,0|0,0,1]=3 1220 B9R1.27 CCC1C(CNC1=O)C TS36242 [0,1,0,1,0,0|0,0,0]=2 1221 B9R1.27 CCN1C(=O)CCC1=O TS36229 [0,1,0,1,0,0|1,0,1]=4 1222 B9R1.33 C1CC(=O)N(C1)CCO TS36418 [0,1,0,1,0,0|1,0,0]=3 1223 B9R1.33 C1CN(C(=O)N1)CCCl TS40707 [0,1,0,1,0,0|2,0,0]=4 1224 B9R1.33 C1CN(C(=O)N1)CCN TS05464 [0,1,0,1,0,0|2,0,0]=4 1225 B9R1.33 C1CN(C(=O)N1)CCO TS36478 [0,1,0,1,0,0|2,0,0]=4 1226 B9R1.33 C1COC(=O)N1CCO TS05635 [0,1,0,1,0,0|2,0,0]=4 1227 B9R1.33 CCCN1CCCC1=O TS05280 [0,1,0,1,0,0|0,0,0]=2 1228 B9R1.33 CN1CCCC1CCCl TS16660 [0,1,0,1,0,0|2,0,0]=4 1229 B9R1.33 CN1CCCC1CCN TS39234 [0,1,0,1,0,0|2,0,0]=4 1230 B9R1.33 CN1CCCC1CCO TS16652 [0,1,0,1,0,0|2,0,0]=4 1231 B9R1.33 CN1CCC[C@@H]1CCN TS91267 [0,1,0,1,0,0|2,0,0]=4 1232 B9R1.33 CN1CCC[C@H]1CCN TS90742 [0,1,0,1,0,0|2,0,0]=4 1233 B9R1.33 COC[C@@H]1CCCN1N TS59859 [0,1,0,1,0,0|2,0,0]=4 1234 B9R1.33 COC[C@H]1CCCN1N TS36519 [0,1,0,1,0,0|2,0,0]=4 1235 B9R1.48 C1CCC(=O)CC(=O)C1 TS36124 [0,1,0,1,0,0|0,0,1]=3 1236 B9R1.48 C1CCC(=O)OC(=O)C1 TS36278 [0,1,0,1,0,0|1,0,1]=4 1237 B9R1.48 CC1CC(=O)NCCN1 TS86852 [0,1,0,1,0,0|1,0,0]=3 1238 B9R1.49 CN1CCC(=O)NCC1 TS05363 [0,1,0,1,0,0|1,0,0]=3 1239 B9R1.49 CN1CCCC(CC1)N TS87553 [0,1,0,1,0,0|1,0,1]=4 1240 B9R1.49 CN1CCCC(CC1)O TS36433 [0,1,0,1,0,0|0,0,2]=4 1241 B9R1.50 C1CCCC(CCC1)Br TS17235 [0,1,0,1,0,0|1,0,1]=4 1242 B9R1.50 C1CCCNC(=O)CC1 TS05275 [0,1,0,1,0,0|0,0,0]=2 1243 B9R1.50 CC1=CCCCCCC1 TS05043 [0,1,0,1,0,0|1,0,0]=3 1244 B9R1.50 CC1CCCCCCC1 TS05222 [0,1,0,1,0,0|1,0,1]=4 1245 B9R1.69 CC1CCC(=O)CC1C TS36162 [0,1,0,1,0,0|0,0,0]=2 1246 B9R1.69 CC1CCC(C(=O)C1)C TS05183 [0,1,0,1,0,0|0,0,0]=2 1247 B9R1.69 CC1CCC(C(C1)C)C TS05216 [0,1,0,1,0,0|1,0,1]=4 1248 B9R1.69 CC1CCC(C(C1)C)O TS05396 [0,1,0,1,0,0|1,0,1]=4 1249 B9R1.69 CC1CN(CCN1C)C TS36362 [0,1,0,1,0,0|2,0,0]=4 1250 B9R1.69 C[C@@H]1CCC(=O)C[C@H]1C TS05202 [0,1,0,1,0,0|0,0,0]=2 1251 B9R1.69 C[C@H]1CCC(=O)C[C@H]1C TS36152 [0,1,0,1,0,0|0,0,0]=2 1252 B9R1.73 C1CC(C1)C(=O)CC#N TS88512 [0,1,0,1,0,0|1,0,1]=4 1253 B9R1.73 CCOC(=O)C1CCC1 TS59781 [0,1,0,1,0,0|1,0,0]=3 1254 B9R1.73 CCOC(=O)C1CNC1 TS42980 [0,1,0,1,0,0|1,0,0]=3 1255 B9R1.75 CCNC(=S)NC1CC1 TS40230 [0,1,0,1,0,0|1,1,0]=4 1256 B9R1.75 CCOC(=O)C[C@@H]1CO1 TS05527 [0,1,0,1,0,0|1,0,0]=3 1257 B9R1.100 CCCCC(C)C1CC1 TS36180 [0,1,0,1,0,0|1,0,1]=4 1258 B9R1.100 CCCNC(=O)C1CC1 TS05284 [0,1,0,1,0,0|0,0,0]=2 1259 B9R1.134 CCCC1(CCCC1)O TS36336 [0,1,0,1,0,0|0,0,2]=4 1260 B9R1.183 CCOC(=O)C1CC1C TS32692 [0,1,0,1,0,0|1,0,0]=3 1261 B9R1.183 CCOC(=O)[C@@H]1C[C@H]1F TS36653 [0,1,0,1,0,0|1,0,0]=3 1262 B9R1.183 CCOC(=O)[C@@H]1[C@@H](O1)C TS05523 [0,1,0,1,0,0|1,0,0]=3 1263 B9R1.3 C1CC(=O)C(C(=O)C1)Br TS17220 [0,1,0,1,0,0|1,0,1]=4 1264 B9R1.3 CC1C(=O)CCCC1=O TS05155 [0,1,0,1,0,0|1,0,1]=4 1265 B9R1.3 CC1CCCC(=O)C1=O TS05153 [0,1,0,1,0,0|0,0,1]=3 1266 B9R1.3 CC1CCCC(C1C)C TS05217 [0,1,0,1,0,0|1,0,1]=4 1267 B9R1.3 CC1CCCC(C1N)C TS05287 [0,1,0,1,0,0|1,0,1]=4 1268 B9R1.5 C1CCC(=O)N(CC1)Br TS51395 [0,1,0,1,0,0|1,0,0]=3 1269 B9R1.5 C1CCNC(=O)C(C1)N TS05359 [0,1,0,1,0,0|1,0,0]=3 1270 B9R1.5 C1CCNC(=O)[C@@H](C1)N TS59665 [0,1,0,1,0,0|1,0,0]=3 1271 B9R1.5 C1CCNC(=O)[C@H](C1)N TS05365 [0,1,0,1,0,0|1,0,0]=3 1272 B9R1.5 C1CC[C@@H]([C@H](CC1)O)O TS05544 [0,1,0,1,0,0|0,0,2]=4 1273 B9R1.5 C1CC[C@H]([C@@H](CC1)O)O TS05561 [0,1,0,1,0,0|0,0,2]=4 1274 B9R1.5 C1CSC[C@@H](C(=O)N1)N TS46614 [0,1,0,1,0,0|2,0,0]=4 1275 B9R1.5 CN1CCCCCC1=O TS36239 [0,1,0,1,0,0|1,0,0]=3 1276 B9R1.5 CN1CCCNCC1=O TS05356 [0,1,0,1,0,0|2,0,0]=4 1277 B9R1.37 CC1CC(C(C1C)C)C TS35724 [0,1,0,1,0,0|1,0,1]=4 1278 B9R1.37 CC1CC(C(C1C)C)C TS35990 [0,1,0,1,0,0|1,0,1]=4 1279 B9R1.37 CC1CC(C(C1C)C)C TS36179 [0,1,0,1,0,0|1,0,1]=4 1280 B9R1.37 CC1CC(C(C1C)C)C TS56016 [0,1,0,1,0,0|1,0,1]=4 1281 B9R1.37 CC1CC(C(C1C)C)C TS61459 [0,1,0,1,0,0|1,0,1]=4 1282 B9R1.37 CC1CC(C(C1C)C)C TS67509 [0,1,0,1,0,0|1,0,1]=4 1283 B9R1.37 CC1CC(C(C1C)C)C TS74665 [0,1,0,1,0,0|1,0,1]=4 1284 B9R1.37 CC1CC(C(C1C)C)C TS81236 [0,1,0,1,0,0|1,0,1]=4 1285 B9R1.37 CC1CC(C(C1C)C)C TS83325 [0,1,0,1,0,0|1,0,1]=4 1286 B9R1.74 CC1(CC1)C(=O)CC#N TS04978 [0,1,0,1,0,0|1,0,1]=4 1287 B9R1.74 CCC=C(C)C1(CC1)N TS05111 [0,1,0,1,0,0|1,0,1]=4 1288 B9R1.74 CCOC(=O)C1(CC1)C TS77135 [0,1,0,1,0,0|1,0,0]=3 1289 B9R1.74 CCOC(=O)C1(CC1)N TS00390 [0,1,0,1,0,0|1,0,0]=3 1290 B9R1.13 CC(C)CC1CCCC1 TS05219 [0,1,0,1,0,0|1,0,1]=4 1291 B9R1.13 CC(C)CC1CCCC1 TS81235 [0,1,0,1,0,0|1,0,1]=4 1292 B9R1.13 CC(CN1CCCC1)N TS36355 [0,1,0,1,0,0|2,0,0]=4 1293 B9R1.34 CC1CC(=CC(=O)C1)C TS36008 [0,1,0,1,0,0|0,0,2]=4 1294 B9R1.34 CC1CC(=O)CC(=O)C1 TS36118 [0,1,0,1,0,0|0,0,1]=3 1295 B9R1.34 CC1CC(=O)CC(O1)C TS05346 [0,1,0,1,0,0|0,0,0]=2 1296 B9R1.34 CC1CC(=O)OC(=O)C1 TS36277 [0,1,0,1,0,0|1,0,1]=4 1297 B9R1.34 CC1CC(CC(=O)C1)C TS22764 [0,1,0,1,0,0|0,0,0]=2 1298 B9R1.34 CC1CC(CC(C1)C)C TS05213 [0,1,0,1,0,0|1,0,1]=4 1299 B9R1.34 CC1CC(CC(N1)C)O TS36420 [0,1,0,1,0,0|0,0,2]=4 1300 B9R1.34 C[C@@H]1C[C@@H](CC(=O)C1)C TS36153 [0,1,0,1,0,0|0,0,0]=2 1301 B9R1.34 C[C@H]1C[C@@H](C[C@@H](C1)C)C TS05229 [0,1,0,1,0,0|1,0,1]=4 1302 B9R1.34 C[C@H]1C[C@@H](C[C@@H](C1)C)O TS05389 [0,1,0,1,0,0|0,0,2]=4 1303 B9R1.34 C[C@H]1C[C@H](C[C@H](C1)C)C TS05210 [0,1,0,1,0,0|1,0,1]=4 1304 B9R1.41 CC(=O)C1CCCC1=O TS36123 [0,1,0,1,0,0|0,0,1]=3 1305 B9R1.41 CC(=O)C1CCOC1=O TS08258 [0,1,0,1,0,0|1,0,1]=4 1306 B9R1.41 CC(=O)N1CCCC1=O TS36228 [0,1,0,1,0,0|1,0,1]=4 1307 B9R1.41 CC(C)N1CCCC1=O TS36238 [0,1,0,1,0,0|1,0,0]=3 1308 B9R1.66 CC1(CC(=O)CCO1)C TS08789 [0,1,0,1,0,0|1,0,0]=3 1309 B9R1.66 CC1(CCCC(=O)C1)C TS05189 [0,1,0,1,0,0|0,0,0]=2 1310 B9R1.66 CC1(CCOC(=O)C1)O TS05520 [0,1,0,1,0,0|1,0,0]=3 1311 B9R1.66 CC1CCCC(C1)(C)C TS36182 [0,1,0,1,0,0|1,0,1]=4 1312 B9R1.66 C[C@]1(CCOC(=O)C1)O TS05519 [0,1,0,1,0,0|1,0,0]=3 1313 B9R1.137 CC(=O)CC(=O)C1CC1 TS36126 [0,1,0,1,0,0|0,0,1]=3 1314 B9R1.137 CC(C)OC(=O)C1CC1 TS36299 [0,1,0,1,0,0|1,0,0]=3 1315 B9R1.14 CC[C@@H]1CCC[C@H]1CC TS05207 [0,1,0,1,0,0|1,0,1]=4 1316 B9R1.14 COC1CCCN1C=O TS36413 [0,1,0,1,0,0|2,0,0]=4 1317 B9R1.89 C1CCC=C(CC1)C#N TS32476 [0,1,0,1,0,0|1,0,1]=4 1318 B9R1.89 C1CCCC(=NO)CC1 TS05273 [0,1,0,1,0,0|0,0,1]=3 1319 B9R1.89 C1CCCC(CC1)C#N TS04981 [0,1,0,1,0,0|1,0,1]=4 1320 B9R1.89 C1CCCC(CC1)C=O TS05193 [0,1,0,1,0,0|0,0,1]=3 1321 B9R1.89 C1CCCC(CC1)CI TS26149 [0,1,0,1,0,0|1,0,1]=4 1322 B9R1.89 C1CCCC(CC1)CN TS01403 [0,1,0,1,0,0|1,0,1]=4 1323 B9R1.89 C1CCCC(CC1)CO TS05384 [0,1,0,1,0,0|0,0,2]=4 1324 B9R1.89 C1CCCC(CC1)NN TS11968 [0,1,0,1,0,0|1,0,1]=4 1325 B9R1.89 C1CCCN(CC1)N=O TS05357 [0,1,0,1,0,0|1,0,0]=3 1326 B9R1.89 C1CNCCN(C1)C=O TS02107 [0,1,0,1,0,0|2,0,0]=4 1327 B9R1.89 CC=C1CCCCCC1 TS05056 [0,1,0,1,0,0|1,0,0]=3 1328 B9R1.89 COC1=NCCCCC1 TS36236 [0,1,0,1,0,0|1,0,1]=4 1329 B9R1.36 CC1CC(CC1C)(C)C TS05228 [0,1,0,1,0,0|1,0,1]=4 1330 B9R1.36 C[C@@H]1CC(C[C@@H]1C)(C)C TS05215 [0,1,0,1,0,0|1,0,1]=4 1331 B9R1.36 C[C@@H]1CC(C[C@H]1C)(C)C TS36186 [0,1,0,1,0,0|1,0,1]=4 1332 B9R1.148 CC1(CCCCCC1)O TS05376 [0,1,0,1,0,0|0,0,2]=4 1333 B9R2.39 C1C2CNC1C(=O)O2 TS04374 [0,0,0,2,0,0|2,0,0]=4 1334 B9R2.39 C1CC2CC1CC2O TS31924 [0,0,0,2,0,0|0,0,2]=4 1335 B9R2.39 C1C[C@@H]2C[C@H]1C[C@@H]2O TS31950 [0,0,0,2,0,0|0,0,2]=4 1336 B9R2.39 C1C[C@@H]2C[C@H]1C[C@H]2O TS31931 [0,0,0,2,0,0|0,0,2]=4 1337 B9R2.39 C1C[C@H]2C[C@@H]1C(=O)N2 TS04254 [0,0,0,2,0,0|1,0,0]=3 1338 B9R2.39 C1C[C@H]2C[C@@H]1CC2Cl TS36573 [0,0,0,2,0,0|1,0,1]=4 1339 B9R2.39 C1C[C@H]2C[C@@H]1C[C@@H]2Br TS13629 [0,0,0,2,0,0|1,0,1]=4 1340 B9R2.39 C1C[C@H]2C[C@@H]1C[C@H]2O TS31927 [0,0,0,2,0,0|0,0,2]=4 1341 B9R2.68 C1CC2CCC(C1)N2 TS86792 [0,0,0,2,0,0|1,0,1]=4 1342 B9R2.109 C1CC2C(O2)C(=O)C1 TS31907 [0,0,0,2,0,0|1,0,0]=3 1343 B9R2.3 C1CC2CCCC2C1 TS04223 [0,0,0,2,0,0|1,0,1]=4 1344 B9R2.173 C1CC2(C1)CCCN2 TS86401 [0,0,0,2,0,0|1,0,1]=4 1345 B9R2.52 C1CCC2C(O2)CC1 TS31946 [0,0,0,2,0,0|0,0,2]=4 1346 B9R2.87 C1CC1C(=O)C2CC2 TS55853 [0,0,0,2,0,0|0,0,0]=2 1347 B9R2.87 C1CC1C(C2CC2)O TS31929 [0,0,0,2,0,0|0,0,2]=4 1348 B9R2.87 C=C(C1CC1)C2CC2 TS04148 [0,0,0,2,0,0|1,0,0]=3