0 B7R0.1 C/C=C\CCCCO S310700 [0,0,0,0,0,0|0,0,2]=2 1 B7R0.1 C=CCCCCCO S303445 [0,0,0,0,0,0|0,0,4]=4 2 B7R0.1 CCCCCC[Hg]Cl S572519 [0,0,0,0,0,0|2,0,2]=4 3 B7R0.1 CCCCSCCC S367192 [0,0,0,0,0,0|2,0,1]=3 4 B7R0.1 CCCCSCCO S527408 [0,0,0,0,0,0|1,0,2]=3 5 B7R0.1 CCCNCCC#N PH017151 [0,0,0,0,0,0|2,0,2]=4 6 B7R0.1 CCCOCCCN CDS000217 [0,0,0,0,0,0|2,0,1]=3 7 B7R0.1 CCOC/C=C/C#N PH001325 [0,0,0,0,0,0|3,0,1]=4 8 B7R0.1 CCOCCCNN PH019429 [0,0,0,0,0,0|3,0,1]=4 9 B7R0.1 CCSCCSCC S347876 [0,0,0,0,0,0|3,0,1]=4 10 B7R0.1 CNCCCCCO PH007838 [0,0,0,0,0,0|1,0,2]=3 11 B7R0.1 CNCCNCCO S522449 [0,0,0,0,0,0|2,0,2]=4 12 B7R0.1 COCC/C=C/CCl S359556 [0,0,0,0,0,0|3,0,0]=3 13 B7R0.1 COCCCCCO PH003271 [0,0,0,0,0,0|1,0,2]=3 14 B7R0.1 COCCSCCO PH010752 [0,0,0,0,0,0|2,0,2]=4 15 B7R0.1 N#C/C=C/CCC#N S511420 [0,0,0,0,0,0|2,0,2]=4 16 B7R0.1 NCCCNCCO S446831 [0,0,0,0,0,0|2,0,2]=4 17 B7R0.1 NCCNCCCO CDS000635 [0,0,0,0,0,0|2,0,1]=3 18 B7R0.1 OCC#CCCCO T185647 [0,0,0,0,0,0|1,0,2]=3 19 B7R0.1 OCCCNCCO S408409 [0,0,0,0,0,0|2,0,1]=3 20 B6R0.6 C=C=CCCCO CVT00100 [1,0,0,0,0,0|0,0,2]=3 21 B6R0.6 CCCCCSC S357952 [1,0,0,0,0,0|1,0,2]=4 22 B6R0.6 CCCCNC=O S550981 [1,0,0,0,0,0|3,0,0]=4 23 B6R0.6 CCCNCCC R580155 [1,0,0,0,0,0|1,0,1]=3 24 B6R0.6 CCCSCCO S408859 [1,0,0,0,0,0|1,0,1]=3 25 B6R0.6 CCOCC[Hg]Cl S564443 [1,0,0,0,0,0|3,0,0]=4 26 B6R0.6 CCSCCCO PH017932 [1,0,0,0,0,0|1,0,0]=2 27 B6R0.6 CCS[PbH2]SCC S550000 [1,0,0,0,0,0|3,0,0]=4 28 B6R0.6 FCCCCCBr CBR02103 [1,0,0,0,0,0|2,0,1]=4 29 B6R0.6 NCCSCCO S449539 [1,0,0,0,0,0|2,0,1]=4 30 B8R0.1 C/C=C\C(O)CCCC S364290 [0,1,0,0,0,0|1,0,2]=4 31 B8R0.1 CC=CC(=O)NCCC T173770 [0,1,0,0,0,0|2,0,1]=4 32 B8R0.1 CCCC(O)CCCO S838322 [0,1,0,0,0,0|0,0,2]=3 33 B8R0.1 CCCCC(=O)CCC S456489 [0,1,0,0,0,0|1,0,1]=3 34 B8R0.1 CCCCN(C)CCO PH017931 [0,1,0,0,0,0|1,0,2]=4 35 B8R0.1 CCCNC(=O)NCC S805858 [0,1,0,0,0,0|3,0,0]=4 36 B8R0.1 CCCNC(=O)OCC S361909 [0,1,0,0,0,0|3,0,0]=4 37 B8R0.1 CCOC(=O)CCC#N PH003642 [0,1,0,0,0,0|2,0,1]=4 38 B8R0.1 CCOC(=O)CCOC CDS025273 [0,1,0,0,0,0|3,0,0]=4 39 B8R0.1 CCOC(=O)NCCO S391980 [0,1,0,0,0,0|2,0,0]=3 40 B8R0.4 C#CCCCCC=CC T304468 [0,1,0,0,0,0|1,0,2]=4 41 B8R0.4 C#CCCCCCCO SYX00205 [0,1,0,0,0,0|0,0,3]=4 42 B8R0.4 C(=C/CCCCCO)\C T264652 [0,1,0,0,0,0|0,0,2]=3 43 B8R0.4 C(=C/CCCO)\CCI T166286 [0,1,0,0,0,0|0,0,0]=1 44 B8R0.4 C(=C\CCCO)\CCI T166227 [0,1,0,0,0,0|0,0,0]=1 45 B8R0.4 CC#CCCCCCO T264709 [0,1,0,0,0,0|0,0,3]=4 46 B8R0.4 CCCCCCCSC S570729 [0,1,0,0,0,0|0,1,2]=4 47 B8R0.4 CCCCCCC[Hg]Cl S572500 [0,1,0,0,0,0|1,0,2]=4 48 B8R0.4 CCCCCSCCO S357928 [0,1,0,0,0,0|0,0,2]=3 49 B8R0.4 CCCCNCCCC S367869 [0,1,0,0,0,0|1,0,2]=4 50 B8R0.4 CCCCNCCCC S503894 [0,1,0,0,0,0|1,0,2]=4 51 B8R0.4 CCCCNCCCC S566152 [0,1,0,0,0,0|1,0,2]=4 52 B8R0.4 CCNCCCCCO PH007898 [0,1,0,0,0,0|0,0,2]=3 53 B8R0.4 COCCCNCCO OTV000453 [0,1,0,0,0,0|1,0,2]=4 54 B8R0.4 CSCCCCCCO S931667 [0,1,0,0,0,0|0,0,2]=3 55 B8R0.4 NCCCOCCCN PH000107 [0,1,0,0,0,0|2,0,1]=4 56 B8R0.4 OCCCNCCCO PH010217 [0,1,0,0,0,0|1,0,1]=3 57 B8R0.4 [NH2+](CCCC)CCCC S348880 [0,1,0,0,0,0|1,0,2]=4 58 B8R0.6 C(=C(\C)/CO)\CCC#N T255602 [0,1,0,0,0,0|2,0,1]=4 59 B8R0.6 CCC(C)CNCCO S393967 [0,1,0,0,0,0|1,0,2]=4 60 B8R0.6 CCC/C=C/C(=O)OC R436038 [0,1,0,0,0,0|2,0,1]=4 61 B8R0.6 CCCCCC(=O)SC CDS010601 [0,1,0,0,0,0|2,0,1]=4 62 B8R0.6 CCCCNC(=O)CCl TMT00394 [0,1,0,0,0,0|3,0,0]=4 63 B8R0.6 CCCCNC(=O)OC S352683 [0,1,0,0,0,0|3,0,0]=4 64 B8R0.6 CCCCOC(=O)CCl S431451 [0,1,0,0,0,0|3,0,0]=4 65 B8R0.6 CCCCOC(=O)CS S436992 [0,1,0,0,0,0|3,0,0]=4 66 B8R0.6 CCCCSC(C)CC S570613 [0,1,0,0,0,0|2,0,1]=4 67 B8R0.6 CCOCCC(O)CC S347981 [0,1,0,0,0,0|2,0,1]=4 68 B8R0.7 C#C/C=C/CCC(=O)O CVT00120 [0,1,0,0,0,0|0,0,3]=4 69 B8R0.7 C(=C/C=C/C(C)C)\CO T265454 [0,1,0,0,0,0|0,0,2]=3 70 B8R0.7 C=C/C=C/CCC(=O)O CVT00134 [0,1,0,0,0,0|0,0,3]=4 71 B8R0.7 CC(=CCCCCBr)C PH009497 [0,1,0,0,0,0|1,0,2]=4 72 B8R0.7 CC(C)CCCCCN CDS001505 [0,1,0,0,0,0|1,0,2]=4 73 B8R0.7 CC(C)CCNCCO S393983 [0,1,0,0,0,0|1,0,2]=4 74 B8R0.7 CCC/C=C/CC(=O)O CDS000348 [0,1,0,0,0,0|0,0,3]=4 75 B8R0.7 CCCCCCC(C)C S430935 [0,1,0,0,0,0|1,0,2]=4 76 B8R0.7 CCCCCCC(C)Cl S564516 [0,1,0,0,0,0|1,0,2]=4 77 B8R0.7 CCCCSCC(C)C S570567 [0,1,0,0,0,0|2,0,1]=4 78 B8R0.7 CCCNCCC(=O)O OTV000481 [0,1,0,0,0,0|1,0,2]=4 79 B8R0.7 CCSCCCC(=O)O PH008798 [0,1,0,0,0,0|1,0,2]=4 80 B8R1.2 BrCC1CCOCC1 CDS013754 [0,0,0,1,0,0|2,0,1]=4 81 B8R1.2 CCC1=NCCCS1 PH008217 [0,0,0,1,0,0|1,1,0]=3 82 B8R1.2 CCC1=NOCCO1 PH016313 [0,0,0,1,0,0|2,0,0]=3 83 B8R1.2 CCC1CNCCO1 CDS009046 [0,0,0,1,0,0|1,0,2]=4 84 B8R1.2 CCC1NCCCS1 T149683 [0,0,0,1,0,0|1,1,1]=4 85 B8R1.2 COC1CC=CCC1 PH007914 [0,0,0,1,0,0|2,0,0]=3 86 B8R1.2 ClCC1OCCCO1 S866008 [0,0,0,1,0,0|2,0,1]=4 87 B8R1.2 N#CC1CC=CCC1 S454052 [0,0,0,1,0,0|1,0,1]=3 88 B8R1.2 NCC1=CCCCC1 CBR00863 [0,0,0,1,0,0|2,0,0]=3 89 B8R1.2 NCC1CCCCO1 CDS006458 [0,0,0,1,0,0|1,0,2]=4 90 B8R1.2 NCC1CCCCO1 CDS006719 [0,0,0,1,0,0|1,0,2]=4 91 B8R1.2 NCC1CCCNC1 CDS013586 [0,0,0,1,0,0|2,0,1]=4 92 B8R1.2 NCC1CCOCC1 CDS003651 [0,0,0,1,0,0|2,0,1]=4 93 B8R1.2 O=CC1=COCCO1 CDS007966 [0,0,0,1,0,0|2,0,1]=4 94 B8R1.2 OCC1CCCOC1 CDS015486 [0,0,0,1,0,0|1,0,1]=3 95 B8R1.2 SCC1CCCCC1 CDS020661 [0,0,0,1,0,0|0,1,2]=4 96 B8R1.5 CC1CC=CCC1C T152838 [0,0,0,1,0,0|1,0,2]=4 97 B8R1.5 N[C@@H]1CCCC[C@H]1O CDS003416 [0,0,0,1,0,0|1,0,2]=4 98 B8R1.5 N[C@H]1CCCC[C@@H]1O CDS003415 [0,0,0,1,0,0|1,0,2]=4 99 B8R1.5 OC1CCCC=C1Br T272590 [0,0,0,1,0,0|1,0,2]=4 100 B8R1.5 OC1CCCCC1Br PH007482 [0,0,0,1,0,0|1,0,2]=4 101 B8R1.8 C(=C1CCCC1)C#N T175536 [0,0,0,1,0,0|2,0,1]=4 102 B8R1.8 CCCC1=NCCO1 S396397 [0,0,0,1,0,0|1,0,1]=3 103 B8R1.8 CCCC1C=CCC1 R289795 [0,0,0,1,0,0|1,0,0]=2 104 B8R1.8 CCCC1OCCO1 S364665 [0,0,0,1,0,0|1,0,2]=4 105 B8R1.8 CCNC1CCCC1 CBR00868 [0,0,0,1,0,0|2,0,1]=4 106 B8R1.8 NCCC1CCCC1 CDS008185 [0,0,0,1,0,0|1,0,2]=4 107 B8R1.8 NCCC1CCCC1 T175072 [0,0,0,1,0,0|1,0,2]=4 108 B8R1.8 OCCN1C=CC=C1 CDS000018 [0,0,0,1,0,0|1,0,2]=4 109 B8R1.8 OCCN1C=CC=N1 CDS004224 [0,0,0,1,0,0|2,0,1]=4 110 B8R1.8 OCCN1C=CN=N1 CDS008475 [0,0,0,1,0,0|3,0,0]=4 111 B8R1.8 OCCN1CCOC1 PH015317 [0,0,0,1,0,0|2,0,1]=4 112 B8R1.11 CC1CCC=C1C#N T238554 [0,0,0,1,0,0|2,0,1]=4 113 B8R1.11 CN1C=CN=C1CO CDS014909 [0,0,0,1,0,0|2,0,1]=4 114 B8R1.11 CN1CCCC1CO CDS011078 [0,0,0,1,0,0|1,0,2]=4 115 B8R1.11 N[C@H]1CCC[C@H]1CO BBO000401 [0,0,0,1,0,0|1,0,2]=4 116 B8R1.12 OCC1CCC1CO T182095 [0,0,0,1,0,0|1,0,2]=4 117 B8R1.12 [C@@H]1(CC[C@H]1CO)CO T181404 [0,0,0,1,0,0|1,0,2]=4 118 B8R1.22 CC1CCCCCO1 T168866 [0,0,0,1,0,0|0,0,2]=3 119 B8R1.22 CC1OCC=CCO1 PH000676 [0,0,0,1,0,0|3,0,0]=4 120 B8R1.22 OC1CCCCCO1 S866032 [0,0,0,1,0,0|1,0,2]=4 121 B8R1.49 C1=CCOCCCC1 T177512 [0,0,0,1,0,0|0,0,2]=3 122 B5R0.2 C(=O)CCC=C CDS000721 [2,0,0,0,0,0|0,0,2]=4 123 B5R0.2 C=CCNCC PH014544 [2,0,0,0,0,0|2,0,0]=4 124 B5R0.2 C=CCSCC S620327 [2,0,0,0,0,0|2,0,0]=4 125 B5R0.2 C=CSCCO PH007226 [2,0,0,0,0,0|1,0,0]=3 126 B5R0.2 CCC/C=N/O S429139 [2,0,0,0,0,0|1,0,1]=4 127 B5R0.2 CCCCSC S447420 [2,0,0,0,0,0|1,0,1]=4 128 B5R0.2 CCCC[Hg]Cl S829617 [2,0,0,0,0,0|2,0,0]=4 129 B5R0.2 CCCNCC CDS000615 [2,0,0,0,0,0|1,0,0]=3 130 B5R0.2 CCCOCC CDS000380 [2,0,0,0,0,0|1,0,0]=3 131 B5R0.2 CCNNCC S814563 [2,0,0,0,0,0|2,0,0]=4 132 B5R0.2 CCOCCN CDS000379 [2,0,0,0,0,0|2,0,0]=4 133 B5R0.2 CCSCCO PH011451 [2,0,0,0,0,0|1,0,0]=3 134 B5R0.2 CNCCCBr PH013730 [2,0,0,0,0,0|2,0,0]=4 135 B5R0.2 OC/C=C/CO PH000110 [2,0,0,0,0,0|1,0,0]=3 136 B7R0.3 C(=C(/C)\CC)\CCO T295590 [1,1,0,0,0,0|0,0,0]=2 137 B7R0.3 C(=O)C(=C)CCCC R425885 [1,1,0,0,0,0|2,0,0]=4 138 B7R0.3 C=C(CC)CCCC CDS000215 [1,1,0,0,0,0|0,0,1]=3 139 B7R0.3 C=CC(O)C/C=C\C T241768 [1,1,0,0,0,0|1,0,1]=4 140 B7R0.3 CCCCC(N)CC CDS021471 [1,1,0,0,0,0|0,0,2]=4 141 B7R0.3 CCCNC(=O)CCl OTV000047 [1,1,0,0,0,0|2,0,0]=4 142 B7R0.3 CCCNC(=S)NC S512176 [1,1,0,0,0,0|2,0,0]=4 143 B7R0.3 CCCN[C@@H](C)CO PH014617 [1,1,0,0,0,0|1,0,1]=4 144 B7R0.3 CCCN[C@H](C)CO PH014618 [1,1,0,0,0,0|1,0,1]=4 145 B7R0.3 CCCOC(=O)CBr PH011324 [1,1,0,0,0,0|2,0,0]=4 146 B7R0.3 CCCOC(=O)CCl S431443 [1,1,0,0,0,0|2,0,0]=4 147 B7R0.3 CCCOC(=O)CN PH019063 [1,1,0,0,0,0|2,0,0]=4 148 B7R0.3 CCCSC(C)CC S570672 [1,1,0,0,0,0|1,0,1]=4 149 B7R0.3 CCOCC(O)CCl S379220 [1,1,0,0,0,0|2,0,0]=4 150 B7R0.3 CCSCC(O)CO R161446 [1,1,0,0,0,0|1,0,0]=3 151 B7R0.3 CCSCC(O)CO S327050 [1,1,0,0,0,0|1,0,0]=3 152 B7R0.3 CNC(=O)OCCO S392650 [1,1,0,0,0,0|2,0,0]=4 153 B7R0.3 NNC(=O)CCCO CDS001562 [1,1,0,0,0,0|2,0,0]=4 154 B7R0.4 C/C(=C\CCCBr)/Br S877557 [1,1,0,0,0,0|1,0,0]=3 155 B7R0.4 C/C=C/C=C\C(C)O T211419 [1,1,0,0,0,0|0,0,2]=4 156 B7R0.4 CC(=O)NCCCO OTV000276 [1,1,0,0,0,0|1,0,0]=3 157 B7R0.4 CC(=O)OCCCS S786683 [1,1,0,0,0,0|1,1,0]=4 158 B7R0.4 CC(C)CNCCO CBR01428 [1,1,0,0,0,0|1,0,1]=4 159 B7R0.4 CC(C)CSCCO PH017930 [1,1,0,0,0,0|1,0,1]=4 160 B7R0.4 CC(C)OCCCO CBR02059 [1,1,0,0,0,0|1,0,0]=3 161 B7R0.4 CC(O)CNCCO S361372 [1,1,0,0,0,0|1,0,1]=4 162 B7R0.4 CC/C=C/CC(C)C R289604 [1,1,0,0,0,0|0,0,0]=2 163 B7R0.4 CCC/C=C/C(=O)C CDS001219 [1,1,0,0,0,0|0,0,1]=3 164 B7R0.4 CCC/C=C/C(=O)N PH008310 [1,1,0,0,0,0|1,0,1]=4 165 B7R0.4 CCC/C=C/C(C)C R289590 [1,1,0,0,0,0|0,0,0]=2 166 B7R0.4 CCC/C=C/C(C)C S369713 [1,1,0,0,0,0|0,0,0]=2 167 B7R0.4 CCCCCC(C)Cl CDS000285 [1,1,0,0,0,0|0,0,2]=4 168 B7R0.4 CCCCNC(=O)C CDS013581 [1,1,0,0,0,0|2,0,0]=4 169 B7R0.4 CCCCSC(C)C S570605 [1,1,0,0,0,0|1,0,1]=4 170 B7R0.4 CCCNC[C@@H](C)O PH016360 [1,1,0,0,0,0|1,0,1]=4 171 B7R0.4 CCCSCC(C)C S547131 [1,1,0,0,0,0|1,0,1]=4 172 B7R0.4 CCOCCC(=O)O S448745 [1,1,0,0,0,0|1,0,1]=4 173 B7R0.4 COCCCC(C)O S671169 [1,1,0,0,0,0|1,0,1]=4 174 B7R0.4 NC(=O)CCCCO S441481 [1,1,0,0,0,0|1,0,1]=4 175 B7R0.7 C/C=C/C(O)CCC S417386 [1,1,0,0,0,0|1,0,0]=3 176 B7R0.7 C=CCC(O)/C=C\C S505013 [1,1,0,0,0,0|1,0,1]=4 177 B7R0.7 CCC/C(=C/C#N)/C PH010112 [1,1,0,0,0,0|1,0,1]=4 178 B7R0.7 CCCC(Cl)CCC S563323 [1,1,0,0,0,0|0,0,2]=4 179 B7R0.7 CCCC(S)CCO CDS001520 [1,1,0,0,0,0|0,0,1]=3 180 B7R0.7 CCCS(=O)CCC S440973 [1,1,0,0,0,0|1,0,1]=4 181 B7R0.7 CCOC(=O)CCI T255378 [1,1,0,0,0,0|2,0,0]=4 182 B7R0.7 CCOC(=O)CNC PH000310 [1,1,0,0,0,0|2,0,0]=4 183 B7R0.7 CCOC(C)CCO S322008 [1,1,0,0,0,0|1,0,0]=3 184 B7R0.7 CCSC(=O)SCC S189634 [1,1,0,0,0,0|2,0,0]=4 185 B9R0.5 C(=C(\C)/COCOC)\CO T271403 [0,2,0,0,0,0|2,0,0]=4 186 B9R0.5 C(=C/C(=O)CCCC#N)\C T270555 [0,2,0,0,0,0|1,0,1]=4 187 B9R0.5 CCCCC/C(=C/CO)/I S326747 [0,2,0,0,0,0|2,0,0]=4 188 B9R0.5 CCCCCC(=O)CCC S411825 [0,2,0,0,0,0|1,0,1]=4 189 B9R0.5 CCCCNC(=O)CCC EME00389 [0,2,0,0,0,0|1,0,1]=4 190 B9R0.5 CCCCNC(=O)CNC CBR01986 [0,2,0,0,0,0|2,0,0]=4 191 B9R0.5 CCCCNC(=O)NCC S802077 [0,2,0,0,0,0|2,0,0]=4 192 B9R0.5 CCCCNC(=O)OCC S406988 [0,2,0,0,0,0|2,0,0]=4 193 B9R0.5 CCNC(=O)NCCCO S804738 [0,2,0,0,0,0|1,0,0]=3 194 B9R0.5 CCNC(=O)NCCOC S804746 [0,2,0,0,0,0|2,0,0]=4 195 B9R0.5 CCOC(=O)CCCCI S677175 [0,2,0,0,0,0|1,0,1]=4 196 B9R0.5 CCOC(=O)CCCCN CDS023812 [0,2,0,0,0,0|1,0,1]=4 197 B9R0.5 CCOC(=O)NCCCBr PH001320 [0,2,0,0,0,0|2,0,0]=4 198 B9R0.5 [C-]#[N+]CCCC(=O)OCC PH015035 [0,2,0,0,0,0|2,0,0]=4 199 B9R0.8 CCCCC(=O)C(C)CC S431486 [0,2,0,0,0,0|1,0,1]=4 200 B9R0.18 O=C(CCCO)NCCO PH008175 [0,2,0,0,0,0|1,0,0]=3 201 B9R0.35 CCCC(=O)C(O)CCC S705500 [0,2,0,0,0,0|1,0,1]=4 202 B9R0.35 CCC[C@H](N)C(=O)OCC CDS021016 [0,2,0,0,0,0|2,0,0]=4 203 B9R0.2 CCCC/C=C/CC(=O)O CDS000466 [0,2,0,0,0,0|1,0,1]=4 204 B9R0.45 C(=C/CCCC=C)\CC=C S434698 [0,2,0,0,0,0|1,0,1]=4 205 B9R0.45 C(=C/CCCCO)\CCI T166057 [0,2,0,0,0,0|0,0,0]=2 206 B9R0.45 C(=C\CCCCO)\CCI T166065 [0,2,0,0,0,0|0,0,0]=2 207 B9R0.45 CCC#CCCOCCO S722189 [0,2,0,0,0,0|0,0,2]=4 208 B9R0.45 CCCCCCCCON PH014161 [0,2,0,0,0,0|0,0,2]=4 209 B9R0.45 CCCCCCSCCO S362344 [0,2,0,0,0,0|0,0,2]=4 210 B9R0.45 CCCCNCCCCO PH011467 [0,2,0,0,0,0|0,0,2]=4 211 B9R0.46 CCCCOCC(O)CO PH010017 [0,2,0,0,0,0|0,0,2]=4 212 B9R0.46 COCCCNC(=O)CCl PH017216 [0,2,0,0,0,0|2,0,0]=4 213 B9R0.1 [C@@H](O)(CO)CCC=C(C)C T232688 [0,2,0,0,0,0|0,0,2]=4 214 B9R0.47 CCCCCC(=O)C(C)C S357944 [0,2,0,0,0,0|1,0,1]=4 215 B9R0.38 CC(C)(C)NCCCCO PH010144 [0,2,0,0,0,0|1,0,1]=4 216 B7R1.1 BrCC1CCCC1 CDS005521 [1,0,0,1,0,0|1,0,1]=4 217 B7R1.1 BrCC1CCCO1 CDS001200 [1,0,0,1,0,0|1,0,1]=4 218 B7R1.1 CC=C1CCCC1 S431559 [1,0,0,1,0,0|1,0,0]=3 219 B7R1.1 CCC1C=CCC1 S416223 [1,0,0,1,0,0|0,0,0]=2 220 B7R1.1 COC1=NCCC1 PH000359 [1,0,0,1,0,0|2,0,0]=4 221 B7R1.1 COC1C=CCC1 S702501 [1,0,0,1,0,0|1,0,0]=3 222 B7R1.1 ClCC1CCOC1 CDS022549 [1,0,0,1,0,0|2,0,0]=4 223 B7R1.1 NCC1CCCC1 SYX00193 [1,0,0,1,0,0|1,0,1]=4 224 B7R1.1 NCC1CCNC1 CDS009628 [1,0,0,1,0,0|2,0,0]=4 225 B7R1.1 O=CC1CCCO1 CDS005466 [1,0,0,1,0,0|1,0,1]=4 226 B7R1.1 OCC1CCCN1 CDS000339 [1,0,0,1,0,0|1,0,1]=4 227 B7R1.3 BrC1CCSCC1 CBR02203 [1,0,0,1,0,0|2,0,0]=4 228 B7R1.3 CC1=CCCNC1 PHB00292 [1,0,0,1,0,0|2,0,0]=4 229 B7R1.3 CC1=CCNCC1 CBR01822 [1,0,0,1,0,0|2,0,0]=4 230 B7R1.3 CC1=NCCCN1 PH016717 [1,0,0,1,0,0|2,0,0]=4 231 B7R1.3 CC1=NCCCS1 PH000571 [1,0,0,1,0,0|1,1,0]=4 232 B7R1.3 CC1CNCCO1 CDS022716 [1,0,0,1,0,0|1,0,1]=4 233 B7R1.3 CC1NCCCS1 T149675 [1,0,0,1,0,0|1,1,0]=4 234 B7R1.3 IC1=CCCCC1 PH008510 [1,0,0,1,0,0|2,0,0]=4 235 B7R1.3 NC1CCCCC1 S512877 [1,0,0,1,0,0|1,0,1]=4 236 B7R1.3 NC1CCCCC1 S669822 [1,0,0,1,0,0|1,0,1]=4 237 B7R1.3 NC1CCCCC1 S926507 [1,0,0,1,0,0|1,0,1]=4 238 B7R1.3 NC1CCOCC1 CDS006264 [1,0,0,1,0,0|2,0,0]=4 239 B7R1.3 O=C1NCCCO1 CBR00063 [1,0,0,1,0,0|2,0,0]=4 240 B7R1.3 O=C1OCCCO1 S939668 [1,0,0,1,0,0|2,0,0]=4 241 B7R1.3 OC1CCCSC1 S461172 [1,0,0,1,0,0|1,0,1]=4 242 B7R1.3 SC1CCNCC1 PHB00269 [1,0,0,1,0,0|1,1,0]=4 243 B7R1.3 SC1CCOCC1 CDS023754 [1,0,0,1,0,0|1,1,0]=4 244 B7R1.4 CC1=CCCC1O T295310 [1,0,0,1,0,0|0,0,0]=2 245 B7R1.4 CC1CCCC1C R289701 [1,0,0,1,0,0|0,0,2]=4 246 B7R1.4 CC1CCCC1O CDS001174 [1,0,0,1,0,0|0,0,1]=3 247 B7R1.4 O=C1NCC[C@@H]1O CDS004995 [1,0,0,1,0,0|2,0,0]=4 248 B7R1.4 OC1C=CCC1O PH007055 [1,0,0,1,0,0|1,0,0]=3 249 B7R1.4 O[C@@H]1CCC=C1Br T262943 [1,0,0,1,0,0|1,0,0]=3 250 B7R1.6 COC=C1COC1 SYX00441 [1,0,0,1,0,0|2,0,0]=4 251 B7R1.6 NCCC1CCC1 CBR02277 [1,0,0,1,0,0|1,0,1]=4 252 B7R1.7 CCCNC1CC1 CBR00141 [1,0,0,1,0,0|1,0,1]=4 253 B7R1.7 CCNCC1CC1 CBR01783 [1,0,0,1,0,0|1,0,1]=4 254 B7R1.7 O=COCC1CO1 PH008850 [1,0,0,1,0,0|2,0,0]=4 255 B7R1.24 C1=CCCC=CC1 T178241 [1,0,0,1,0,0|0,0,2]=4 256 B7R1.24 C1CNCCOC1 CDS001609 [1,0,0,1,0,0|1,0,0]=3 257 B7R1.24 C1CNCCSC1 SYX00228 [1,0,0,1,0,0|1,1,0]=4 258 B9R1.7 CC1=NN(C=C1)CCO CBR00079 [0,1,0,1,0,0|1,0,1]=4 259 B9R1.8 CCCC1=NCCCS1 PH000354 [0,1,0,1,0,0|0,1,1]=4 260 B9R1.8 CCOC1CCCCO1 S359033 [0,1,0,1,0,0|0,0,2]=4 261 B9R1.8 CNCC1CCCCO1 CDS005693 [0,1,0,1,0,0|0,0,2]=4 262 B9R1.8 OCCC1CCCCO1 T177393 [0,1,0,1,0,0|0,0,2]=4 263 B9R1.8 OCCC1CNCCO1 CDS009186 [0,1,0,1,0,0|1,0,1]=4 264 B9R1.12 CCCCC1=NCCS1 PH008233 [0,1,0,1,0,0|2,0,0]=4 265 B9R1.12 CCCCC1OCCO1 T330108 [0,1,0,1,0,0|0,0,2]=4 266 B9R1.12 OCCCC1=CNN=C1 L203262 [0,1,0,1,0,0|1,0,1]=4 267 B9R1.12 OCCCC1=CON=C1 CBR01911 [0,1,0,1,0,0|1,0,1]=4 268 B9R1.12 OCCCC1OCCO1 T290653 [0,1,0,1,0,0|1,0,1]=4 269 B9R1.12 OCCCN1C=CN=C1 CDS022004 [0,1,0,1,0,0|1,0,1]=4 270 B9R1.15 C(=O)C1CC=CCC1C S430153 [0,1,0,1,0,0|0,0,2]=4 271 B9R1.15 CN[C@@H]1CCCC[C@H]1O BBO000382 [0,1,0,1,0,0|0,0,2]=4 272 B9R1.15 N#CC1=CCCCC1O PH007699 [0,1,0,1,0,0|1,0,1]=4 273 B9R1.15 NCC1=C(CCCC1)Cl T162965 [0,1,0,1,0,0|2,0,0]=4 274 B9R1.15 NC[C@@H]1CC=CC[C@@H]1N BBO000356 [0,1,0,1,0,0|1,0,0]=3 275 B9R1.15 NC[C@H]1CCCC[C@H]1O BBO000725 [0,1,0,1,0,0|0,0,2]=4 276 B9R1.15 NC[C@H]1CCCC[C@H]1O CDS006535 [0,1,0,1,0,0|0,0,2]=4 277 B9R1.15 N[C@@H]1CC=CC[C@@H]1CO BBO000374 [0,1,0,1,0,0|0,0,0]=2 278 B9R1.15 N[C@@H]1CC=CC[C@H]1CO BBO000375 [0,1,0,1,0,0|0,0,0]=2 279 B9R1.15 OC[C@H]1CCNC[C@H]1O CBR01689 [0,1,0,1,0,0|1,0,1]=4 280 B9R1.33 CC1=NC=CN1CCO CBR00018 [0,1,0,1,0,0|1,0,1]=4 281 B9R1.33 CC1CCCN1CCO PH015834 [0,1,0,1,0,0|0,0,2]=4 282 B9R1.33 CN1C=CN=C1CCO CDS023208 [0,1,0,1,0,0|1,0,1]=4 283 B9R1.33 O=C1OCCN1CCO CDS013723 [0,1,0,1,0,0|2,0,0]=4 284 B9R1.33 OCCN1CCNC1=S S372102 [0,1,0,1,0,0|2,0,0]=4 285 B9R1.48 CC1=CCCCC(=C1)C T180785 [0,1,0,1,0,0|1,0,1]=4 286 B9R1.49 C=C1CCCC(CC1)C T170666 [0,1,0,1,0,0|1,0,1]=4 287 B9R1.50 O=C1CC=CCCOC1 T168858 [0,1,0,1,0,0|0,0,1]=3 288 B9R1.50 OC1CC=CCCOC1 T168807 [0,1,0,1,0,0|0,0,0]=2 289 B9R1.50 OC1CCCCCOC1 T168815 [0,1,0,1,0,0|0,0,2]=4 290 B9R1.69 CC1CC(CCC1O)O PH007017 [0,1,0,1,0,0|0,0,2]=4 291 B9R1.69 CC1CCC(C(C1)C)O S436828 [0,1,0,1,0,0|0,0,2]=4 292 B9R1.183 CCOC(=O)C1CC1C R425907 [0,1,0,1,0,0|2,0,0]=4 293 B9R1.5 O[C@@H]1CCCCC[C@H]1O S435201 [0,1,0,1,0,0|0,0,2]=4 294 B9R1.14 CCN1C=CN=C1CO CBR00306 [0,1,0,1,0,0|1,0,1]=4 295 B9R1.14 CCN1CCC[C@H]1CO CBR02172 [0,1,0,1,0,0|0,0,2]=4 296 B9R1.83 C(=C/C1CC1)\CCOC T183911 [0,1,0,1,0,0|0,0,2]=4 297 B9R1.89 OCC1CNCCCO1 CDS020100 [0,1,0,1,0,0|1,0,1]=4 298 B9R1.89 OCC1CNCCOC1 PH019466 [0,1,0,1,0,0|1,0,1]=4 299 B9R1.1 COC1CC=C(CC1)C T196010 [0,1,0,1,0,0|2,0,0]=4 300 B9R1.1 O=C1CCC(CC1)CO CDS017814 [0,1,0,1,0,0|0,0,1]=3 301 B9R1.1 OC[C@H]1CC[C@@H](CC1)O T184683 [0,1,0,1,0,0|0,0,2]=4 302 B9R1.1 OC[C@H]1CC[C@H](CC1)O T184624 [0,1,0,1,0,0|0,0,2]=4 303 B9R1.3 CC1CCCC(=O)C1C CDS023514 [0,1,0,1,0,0|1,0,1]=4 304 B9R1.3 CC1OCCC(C1O)O PH008649 [0,1,0,1,0,0|1,0,1]=4 305 B9R1.11 CCC(=O)C1=CCCC1 T246662 [0,1,0,1,0,0|1,0,0]=3 306 B9R1.21 CCN1CCC(C1)CO CBR00419 [0,1,0,1,0,0|1,0,1]=4 307 B9R1.118 CC1(CC=CCC1)CO S375322 [0,1,0,1,0,0|0,0,0]=2 308 B9R1.118 CC1(CCNCC1)CO CBR01674 [0,1,0,1,0,0|1,0,1]=4 309 B9R1.118 NC1(CCOCC1)CO PHB00225 [0,1,0,1,0,0|1,0,1]=4 310 B9R1.202 C[C@H]1CNC[C@]1(C)CO PH018942 [0,1,0,1,0,0|1,0,1]=4 311 B9R1.6 CC(C)C1OCCCO1 S864714 [0,1,0,1,0,0|1,0,1]=4 312 B9R1.6 CC(N)C1=CCCCC1 CBR01205 [0,1,0,1,0,0|1,0,0]=3 313 B9R1.6 CC(O)C1=CCCCC1 PH015453 [0,1,0,1,0,0|1,0,0]=3 314 B9R1.6 CC(O)C1=CCCCO1 T242993 [0,1,0,1,0,0|0,0,0]=2 315 B9R1.6 CC(O)C1C=CCCC1 T181412 [0,1,0,1,0,0|0,0,2]=4 316 B9R1.6 O=C(Cl)C1CC=CCC1 PH015122 [0,1,0,1,0,0|0,0,2]=4 317 B9R1.13 CC(=O)C=C1CCCC1 L170097 [0,1,0,1,0,0|1,0,1]=4 318 B9R1.24 C[C@@]1(CCC[C@H]1CO)N BBO000380 [0,1,0,1,0,0|0,0,2]=4 319 B9R1.40 CC1(CCCCC1O)O S352799 [0,1,0,1,0,0|0,0,2]=4 320 B9R1.40 CC1(CNCCC1O)C PHB00253 [0,1,0,1,0,0|1,0,1]=4 321 B9R1.148 CC1(CCCCCC1)O S411949 [0,1,0,1,0,0|0,0,2]=4 322 B9R2.68 C1CC2CCC(C1)O2 T173541 [0,0,0,2,0,0|0,0,2]=4 323 B9R2.123 C1(C2C1CC=CC2)C T191558 [0,0,0,2,0,0|1,0,0]=3 324 B9R2.174 C1=CCC2(CC1)CC2 T185655 [0,0,0,2,0,0|1,0,0]=3 325 B9R2.6 CC12CC=CCC1O2 T175390 [0,0,0,2,0,0|0,0,2]=4 326 B9R2.39 O=C1CC2C=CC1C2 T227005 [0,0,0,2,0,0|0,0,2]=4 327 B9R2.2 C1COC(C1)C2CC2 T166189 [0,0,0,2,0,0|0,0,2]=4 328 B9R2.3 C1=CC2CC=CC2C1 T185876 [0,0,0,2,0,0|1,0,1]=4 329 B9R2.21 O[C@@H]1C=C[C@H]2C[C@H]2C1 T187186 [0,0,0,2,0,0|2,0,0]=4 330 B9R2.20 [C@@H]1(C=CC2C1CC2)O T178195 [0,0,0,2,0,0|2,0,0]=4 331 B9R2.20 [C@@H]1(C=C[C@H]2[C@@H]1CC2)O T283223 [0,0,0,2,0,0|2,0,0]=4 332 B9R2.20 [C@H]12C=C[C@H]([C@H]1CC2)O T167185 [0,0,0,2,0,0|2,0,0]=4