0 B8R1.51 CC1(C)OCC(=O)O1 233926 [0,0,0,0,0,0|1,0,1]=2 1 B8R1.51 CC1=NC(C)(C)CO1 235855 [0,0,0,0,0,0|3,0,1]=4 2 B7R1.2 CC1CCC(=O)O1 243089 [1,0,0,0,0,0|2,0,1]=4 3 B7R1.2 CC1CCC(C)N1 105831 [1,0,0,0,0,0|2,0,0]=3 4 B7R1.2 CC1CCC(O)C1 013642 [1,0,0,0,0,0|3,0,0]=4 5 B7R1.2 CC1COC(=O)O1 044922 [1,0,0,0,0,0|1,0,1]=3 6 B7R1.2 C[C@@H]1COC(=O)O1 237778 [1,0,0,0,0,0|1,0,1]=3 7 B7R1.2 O=C1OCC(F)O1 098380 [1,0,0,0,0,0|2,0,1]=4 8 B7R1.14 CC1(C)COCN1 535769 [1,0,0,0,0,0|3,0,0]=4 9 B7R1.14 CC1(C)NCCS1 077828 [1,0,0,0,0,0|1,1,0]=3 10 B7R1.14 CC1(C)OCCO1 103483 [1,0,0,0,0,0|0,0,0]=1 11 B7R1.14 CC1(O)CCCC1 078752 [1,0,0,0,0,0|3,0,0]=4 12 B7R1.14 O=S1(=O)OCCO1 242809 [1,0,0,0,0,0|3,0,0]=4 13 B9R1.133 CC1(C)OCC(CCl)O1 235578 [0,1,0,0,0,0|0,0,0]=1 14 B9R1.133 CC1(C)OCC(CO)O1 095006 [0,1,0,0,0,0|0,0,0]=1 15 B9R1.133 CC1(C)OC[C@H](C=O)O1 038227 [0,1,0,0,0,0|0,0,1]=2 16 B9R1.133 CC1(C)OC[C@H](CCl)O1 239930 [0,1,0,0,0,0|0,0,0]=1 17 B9R1.133 CC1(C)OC[C@H](CN)O1 013546 [0,1,0,0,0,0|0,0,0]=1 18 B9R1.133 [C@@H]1(CO)COC(C)(C)O1 001472 [0,1,0,0,0,0|0,0,0]=1 19 B9R1.133 [C@H]1(CO)COC(C)(C)O1 024785 [0,1,0,0,0,0|0,0,0]=1 20 B9R1.146 C[Si]1(C)CC[Si](C)(C)O1 S16080 [0,1,0,0,0,0|1,2,0]=4 21 B7R0.2 CC(C)C[C@H](N)CO M03441 [0,0,1,0,0,0|2,0,0]=3 22 B7R0.2 CN(C)CC(O)CO 077998 [0,0,1,0,0,0|3,0,0]=4 23 B7R0.6 CC(=O)CCC(C)C 106440 [0,0,1,0,0,0|1,0,2]=4 24 B7R0.6 CC(=O)OCC(C)C 095004 [0,0,1,0,0,0|2,0,1]=4 25 B7R0.6 CC(C)SCC(=O)O 311009 [0,0,1,0,0,0|1,1,1]=4 26 B7R0.6 CC(C)SSC(C)C 099108 [0,0,1,0,0,0|2,1,0]=4 27 B7R0.6 CC(O)C#CC(C)O 242593 [0,0,1,0,0,0|2,0,1]=4 28 B7R0.6 CC(O)CCC(C)O 241359 [0,0,1,0,0,0|2,0,0]=3 29 B7R0.8 C#CCOC(C)(C)C 105507 [0,0,1,0,0,0|1,0,2]=4 30 B7R0.8 CC(C)(C)NCCCl 098591 [0,0,1,0,0,0|3,0,0]=4 31 B7R0.8 CC(C)(C)NCCO 116000 [0,0,1,0,0,0|3,0,0]=4 32 B7R0.8 CC(C)(C)OCCO 139800 [0,0,1,0,0,0|2,0,0]=3 33 B7R0.8 CC(C)(C)SCCN 018341 [0,0,1,0,0,0|2,1,0]=4 34 B7R0.8 CCCC[Si](C)(C)Cl 005254 [0,0,1,0,0,0|2,1,0]=4 35 B7R0.8 CNCCC(C)(C)C 104302 [0,0,1,0,0,0|3,0,0]=4 36 B7R0.8 C[Si](C)(C)OCCCl S03850 [0,0,1,0,0,0|2,1,0]=4 37 B7R0.9 CC(=O)OC(C)(C)C 094033 [0,0,1,0,0,0|2,0,1]=4 38 B7R0.9 CC(C)CC(C)(C)C 005420 [0,0,1,0,0,0|2,0,0]=3 39 B7R0.9 CC(C)CC(C)(C)C 101606 [0,0,1,0,0,0|2,0,0]=3 40 B7R0.9 CC(C)OS(C)(=O)=O 318154 [0,0,1,0,0,0|2,0,1]=4 41 B7R0.9 C[SiH](C)O[Si](C)(C)C S12900 [0,0,1,0,0,0|1,2,0]=4 42 B7R0.11 COC(C)(C)CCO 242746 [0,0,1,0,0,0|2,0,0]=3 43 B9R1.66 CC1(C)CC(=O)CCO1 043695 [0,0,0,0,0,1|2,0,1]=4 44 B6R0.1 CCCC(O)CO 242929 [1,0,1,0,0,0|2,0,0]=4 45 B6R0.1 CCOC(=O)CO 227697 [1,0,1,0,0,0|1,0,1]=4 46 B6R0.1 CCO\C(C)=N/O 036372 [1,0,1,0,0,0|1,0,1]=4 47 B6R0.1 C[C@@H](CO)CCN 103282 [1,0,1,0,0,0|2,0,0]=4 48 B6R0.2 CC(=O)OC(C)C 099370 [1,0,1,0,0,0|0,0,2]=4 49 B6R0.2 CC(C)=NC(C)C 022053 [1,0,1,0,0,0|1,0,1]=4 50 B6R0.2 CC(C)CC(C)N 214337 [1,0,1,0,0,0|2,0,0]=4 51 B6R0.2 CC(C)CC(C)O 242810 [1,0,1,0,0,0|1,0,0]=3 52 B6R0.2 CC(C)NC(C)C 005001 [1,0,1,0,0,0|1,0,0]=3 53 B6R0.2 CC(C)NC(C)C 995001 [1,0,1,0,0,0|1,0,0]=3 54 B6R0.2 CC(C)SC(C)C 105009 [1,0,1,0,0,0|0,1,0]=3 55 B6R0.2 CC(O)CN(C)C 092070 [1,0,1,0,0,0|2,0,0]=4 56 B6R0.2 C[SiH](C)O[SiH](C)C 005278 [1,0,1,0,0,0|0,2,0]=4 57 B6R0.4 CC(=O)OCCO 046708 [1,0,1,0,0,0|1,0,1]=4 58 B6R0.4 CC(C)NCCO 069257 [1,0,1,0,0,0|1,0,0]=3 59 B6R0.4 CC(C)OCCO 150900 [1,0,1,0,0,0|0,0,0]=2 60 B6R0.4 CC(O)CCCO 386330 [1,0,1,0,0,0|2,0,0]=4 61 B6R0.4 CCC#CC(C)O 105445 [1,0,1,0,0,0|1,0,1]=4 62 B6R0.4 CCCCC(C)N 214315 [1,0,1,0,0,0|2,0,0]=4 63 B6R0.4 CCCCN(C)C 115800 [1,0,1,0,0,0|2,0,0]=4 64 B6R0.4 CCCC[C@@H](C)O 036116 [1,0,1,0,0,0|1,0,0]=3 65 B6R0.4 CCCOC(C)=O 104128 [1,0,1,0,0,0|0,0,2]=4 66 B6R0.4 CCOCC(=O)O 461062 [1,0,1,0,0,0|1,0,1]=4 67 B6R0.4 CN(C)CCCO 242665 [1,0,1,0,0,0|2,0,0]=4 68 B6R0.4 CNCCC(C)C 321590 [1,0,1,0,0,0|2,0,0]=4 69 B6R0.5 CC#CC(C)(C)O 103636 [1,0,1,0,0,0|0,0,2]=4 70 B6R0.5 CC(C)(Br)CCBr 105278 [1,0,1,0,0,0|2,0,0]=4 71 B6R0.5 CC(C)(C)CCBr 240396 [1,0,1,0,0,0|2,0,0]=4 72 B6R0.5 CC(C)(C)CCI 104243 [1,0,1,0,0,0|2,0,0]=4 73 B6R0.5 CC(C)(C)CCO 092664 [1,0,1,0,0,0|2,0,0]=4 74 B6R0.5 CC(C)(C)OC=O 094630 [1,0,1,0,0,0|1,0,1]=4 75 B6R0.5 CC(C)(C)ON=O 050767 [1,0,1,0,0,0|2,0,0]=4 76 B6R0.5 CC(C)(Cl)CCCl 106056 [1,0,1,0,0,0|2,0,0]=4 77 B6R0.5 CC(C)(O)CC#N 372096 [1,0,1,0,0,0|1,0,1]=4 78 B6R0.5 CC(C)(O)CCO 099109 [1,0,1,0,0,0|1,0,0]=3 79 B6R0.5 CCCC(C)(C)O 356177 [1,0,1,0,0,0|0,0,0]=2 80 B6R0.5 CCO[Si](C)(C)C S08635 [1,0,1,0,0,0|0,1,0]=3 81 B6R0.5 CCS[Si](C)(C)C 103431 [1,0,1,0,0,0|0,2,0]=4 82 B6R0.5 CNCC(C)(C)O 323417 [1,0,1,0,0,0|1,0,0]=3 83 B6R0.5 COCC(C)(C)N 044656 [1,0,1,0,0,0|2,0,0]=4 84 B6R0.5 COCC(C)(C)O 304271 [1,0,1,0,0,0|1,0,0]=3 85 B6R0.5 C\C=N\C(C)(C)C 241850 [1,0,1,0,0,0|1,0,1]=4 86 B6R0.8 CNC(C)(C)CO 340517 [1,0,1,0,0,0|2,0,0]=4 87 B6R0.8 COC(C)(C)CN 043506 [1,0,1,0,0,0|1,0,0]=3 88 B6R0.8 COC(C)(C)OC 032480 [1,0,1,0,0,0|0,0,0]=2 89 B6R0.8 CO[Si](C)(C)OC S07200 [1,0,1,0,0,0|0,1,0]=3 90 B6R1.2 CC1=NCCO1 099141 [2,0,0,0,0,0|1,0,1]=4 91 B6R1.2 CC1CCCC1 101560 [2,0,0,0,0,0|2,0,0]=4 92 B6R1.2 CC1CCCO1 094054 [2,0,0,0,0,0|1,0,0]=3 93 B6R1.2 NC1CCOC1 208592 [2,0,0,0,0,0|2,0,0]=4 94 B6R1.2 O=C1OCCO1 094510 [2,0,0,0,0,0|1,0,1]=4 95 B6R1.2 OC1CCOC1 005327 [2,0,0,0,0,0|2,0,0]=4 96 B6R1.2 O[C@@H]1CCOC1 093765 [2,0,0,0,0,0|2,0,0]=4 97 B6R1.2 O[C@H]1CCOC1 078070 [2,0,0,0,0,0|2,0,0]=4 98 B8R0.24 CC(C)(C)OC(=O)CO 222563 [0,1,1,0,0,0|1,0,1]=4 99 B8R0.34 CN(C)CC(C)(C)CO 463236 [0,1,1,0,0,0|2,0,0]=4 100 B8R0.29 CC(C)(C)OCC(=O)O 023523 [0,1,1,0,0,0|1,0,1]=4 101 B8R0.29 C[C@@H](O)COC(C)(C)C 036099 [0,1,1,0,0,0|0,0,0]=2 102 B8R0.14 CCOC(=O)C(C)(C)O 024843 [0,1,1,0,0,0|2,0,0]=4 103 B8R0.21 CC(C)(C)NCCCO 180090 [0,1,1,0,0,0|2,0,0]=4 104 B8R0.21 CNCCNC(C)(C)C 024603 [0,1,1,0,0,0|2,0,0]=4 105 B8R0.25 CC(C)(CO)CCCN 103800 [0,1,1,0,0,0|2,0,0]=4 106 B8R0.25 CCCC[Si](C)(C)OC S03310 [0,1,1,0,0,0|1,1,0]=4 107 B8R0.33 CC(C)(C)CC(C)(C)N 099035 [0,1,1,0,0,0|2,0,0]=4 108 B8R0.33 CC(C)(C)[SiH2]C(C)(C)C 019203 [0,1,1,0,0,0|2,0,0]=4 109 B8R0.30 CCOC(C)(C)OCC 099316 [0,1,1,0,0,0|0,0,0]=2 110 B8R0.30 CCO[Si](C)(C)OCC S07125 [0,1,1,0,0,0|0,1,0]=3 111 B8R1.1 O=C1OCC(CO)O1 521458 [1,1,0,0,0,0|1,0,1]=4 112 B8R1.52 CCC1(C)OCCO1 094508 [1,1,0,0,0,0|0,0,0]=2 113 B10R1.307 CC1(C)CCCC(C)(C)N1 013713 [0,1,0,0,0,1|2,0,0]=4 114 B10R1.329 CC1(C)OC(=O)CC(=O)O1 032739 [0,1,0,0,0,1|1,0,1]=4 115 B10R1.329 CC1=CC(=O)OC(C)(C)O1 431346 [0,1,0,0,0,1|0,0,2]=4 116 B10R1.329 CC1CC(=O)CC(C)(C)C1 174500 [0,1,0,0,0,1|2,0,0]=4 117 B10R1.329 CC1CC(O)CC(C)(C)C1 046887 [0,1,0,0,0,1|2,0,0]=4 118 B10R1.329 C[C@H]1C[C@@H](O)CC(C)(C)C1 336647 [0,1,0,0,0,1|2,0,0]=4 119 B10R1.95 CC1(C)OC[C@H](CCO)O1 049866 [0,2,0,0,0,0|0,0,0]=2 120 B8R1.4 CC1CCCC(C)N1 092293 [0,0,1,1,0,0|2,0,0]=4 121 B8R1.4 CC1CNCC(C)C1 214739 [0,0,1,1,0,0|2,0,0]=4 122 B8R1.4 CC1CNCC(C)N1 236619 [0,0,1,1,0,0|2,0,0]=4 123 B8R1.4 CC1CNCC(C)O1 091225 [0,0,1,1,0,0|1,0,0]=3 124 B8R1.4 C[C@H]1CCC[C@@H](C)N1 102064 [0,0,1,1,0,0|2,0,0]=4 125 B8R1.4 C[C@H]1CNC[C@@H](C)O1 091224 [0,0,1,1,0,0|1,0,0]=3 126 B8R1.3 CC1CCC(N)CC1 235459 [0,0,1,1,0,0|2,0,0]=4 127 B8R1.3 CC1CCC(O)CC1 221545 [0,0,1,1,0,0|1,0,0]=3 128 B8R1.3 CN1CCC(O)CC1 023287 [0,0,1,1,0,0|2,0,0]=4 129 B8R1.3 C[C@H]1CC[C@H](N)CC1 040157 [0,0,1,1,0,0|2,0,0]=4 130 B8R1.3 C[C@H]1CC[C@H](O)CC1 103562 [0,0,1,1,0,0|1,0,0]=3 131 B8R1.3 N[C@H]1CC[C@@H](O)CC1 036775 [0,0,1,1,0,0|2,0,0]=4 132 B8R1.3 N[C@H]1CC[C@H](O)CC1 076683 [0,0,1,1,0,0|2,0,0]=4 133 B8R1.3 N[C@H]1CC[C@H](O)CC1 103705 [0,0,1,1,0,0|2,0,0]=4 134 B8R1.3 OC1CCC(O)CC1 241344 [0,0,1,1,0,0|2,0,0]=4 135 B8R1.3 OC1COC(O)CO1 092250 [0,0,1,1,0,0|2,0,0]=4 136 B8R1.72 CC1(Cl)CCCCC1 067555 [0,0,1,1,0,0|2,0,0]=4 137 B8R1.72 CC1(O)CCCCC1 099112 [0,0,1,1,0,0|1,0,0]=3 138 B6R0.3 CC(C)C(N)CO 323960 [0,0,1,0,1,0|1,0,0]=3 139 B6R0.3 CC(C)[C@@H](N)CO 045548 [0,0,1,0,1,0|1,0,0]=3 140 B6R0.3 CC(C)[C@H](N)CO M03447 [0,0,1,0,1,0|1,0,0]=3 141 B6R0.3 CCC(C)C(C)O 103328 [0,0,1,0,1,0|2,0,0]=4 142 B6R0.3 CCC(O)C(C)C 240664 [0,0,1,0,1,0|2,0,0]=4 143 B6R0.7 CC(=O)C(C)(C)O 092081 [0,0,1,0,1,0|1,0,1]=4 144 B6R0.7 CC(O)C(C)(C)C 103394 [0,0,1,0,1,0|2,0,0]=4 145 B6R0.7 C[SiH](C)C(C)(C)C S03320 [0,0,1,0,1,0|1,1,0]=4 146 B6R1.10 CC1(N)CCC1 041889 [1,0,0,0,1,0|2,0,0]=4 147 B8R0.28 CC(C)CCCC(C)N 097752 [0,0,1,0,0,1|2,0,0]=4 148 B8R0.28 CC(C)CCCC(C)N 101453 [0,0,1,0,0,1|2,0,0]=4 149 B8R0.28 CC(C)CNCC(C)C 098819 [0,0,1,0,0,1|2,0,0]=4 150 B8R0.28 CC(C)C[AlH4]CC(C)C 101611 [0,0,1,0,0,1|2,0,0]=4 151 B8R0.28 CC(O)CNCC(C)O 240941 [0,0,1,0,0,1|2,0,0]=4