0 B7R0.1 C(=O)NCCCOC S363286 [0,0,0,0,0,0|3,0,0]=3 1 B7R0.1 C/C=C\CCCCO S310700 [0,0,0,0,0,0|4,0,0]=4 2 B7R0.1 C=CCCCCCO S303445 [0,0,0,0,0,0|4,0,0]=4 3 B7R0.1 CCCCCC[Hg]Cl S572519 [0,0,0,0,0,0|3,0,0]=3 4 B7R0.1 CCCCCON=O CDS000385 [0,0,0,0,0,0|0,0,0]=0 5 B7R0.1 CCCCSCCC S367192 [0,0,0,0,0,0|4,0,0]=4 6 B7R0.1 CCCCSCCO S527408 [0,0,0,0,0,0|3,0,1]=4 7 B7R0.1 CCCNCCC#N PH017151 [0,0,0,0,0,0|4,0,0]=4 8 B7R0.1 CCCOCCCN CDS000217 [0,0,0,0,0,0|4,0,0]=4 9 B7R0.1 CCOCCCNN PH019429 [0,0,0,0,0,0|3,0,1]=4 10 B7R0.1 CCSCCSCC S347876 [0,0,0,0,0,0|3,1,0]=4 11 B7R0.1 CNCCCCCO PH007838 [0,0,0,0,0,0|3,0,1]=4 12 B7R0.1 COCCCCCO PH003271 [0,0,0,0,0,0|3,0,1]=4 13 B7R0.1 COCCCN=C=S S648965 [0,0,0,0,0,0|3,1,0]=4 14 B7R0.1 N#CCCCCCN PH014777 [0,0,0,0,0,0|4,0,0]=4 15 B6R0.6 C=CCSCCC S357391 [1,0,0,0,0,0|3,0,0]=4 16 B6R0.6 CCCCCSC S357952 [1,0,0,0,0,0|1,1,0]=3 17 B6R0.6 CCCCNC=O S550981 [1,0,0,0,0,0|2,0,0]=3 18 B6R0.6 CCCCSC#N S449814 [1,0,0,0,0,0|2,0,1]=4 19 B6R0.6 CCCNCCC R580155 [1,0,0,0,0,0|3,0,0]=4 20 B6R0.6 CCCOCC#N PH011429 [1,0,0,0,0,0|2,0,1]=4 21 B6R0.6 CCCSCCO S408859 [1,0,0,0,0,0|2,0,1]=4 22 B6R0.6 CCOCC[Hg]Cl S564443 [1,0,0,0,0,0|3,0,0]=4 23 B6R0.6 CCSCCCO PH017932 [1,0,0,0,0,0|2,0,1]=4 24 B6R0.6 COCCCC=O CDS022820 [1,0,0,0,0,0|2,0,0]=3 25 B6R0.6 COCCN=C=O CBR02010 [1,0,0,0,0,0|3,0,0]=4 26 B6R0.6 COCCNC=O PH007296 [1,0,0,0,0,0|3,0,0]=4 27 B6R0.6 FCCCCCBr CBR02103 [1,0,0,0,0,0|3,0,0]=4 28 B6R0.6 [C-]#[N+]CCCOC PH015420 [1,0,0,0,0,0|2,0,1]=4 29 B8R0.1 C/C=C\C(O)CCCC S364290 [0,1,0,0,0,0|3,0,0]=4 30 B8R0.1 CCCC(O)CCCO S838322 [0,1,0,0,0,0|2,0,1]=4 31 B8R0.4 C#CCCCCCCO SYX00205 [0,1,0,0,0,0|3,0,0]=4 32 B8R0.4 C(=C/CCCCCO)\C T264652 [0,1,0,0,0,0|3,0,0]=4 33 B8R0.4 C(=O)NCCOCCO S405213 [0,1,0,0,0,0|3,0,0]=4 34 B8R0.4 CC#CCCCCCO T264709 [0,1,0,0,0,0|3,0,0]=4 35 B8R0.4 CCCCCCCSC S570729 [0,1,0,0,0,0|2,1,0]=4 36 B8R0.4 CCCCCCC[Hg]Cl S572500 [0,1,0,0,0,0|3,0,0]=4 37 B8R0.4 CCCCCSCCO S357928 [0,1,0,0,0,0|1,1,1]=4 38 B8R0.4 CCCCNCCC#N S399493 [0,1,0,0,0,0|3,0,0]=4 39 B8R0.4 CCCCNCCCC S367869 [0,1,0,0,0,0|3,0,0]=4 40 B8R0.4 CCCCNCCCC S503894 [0,1,0,0,0,0|3,0,0]=4 41 B8R0.4 CCCCNCCCC S566152 [0,1,0,0,0,0|3,0,0]=4 42 B8R0.4 CCNCCCCCO PH007898 [0,1,0,0,0,0|2,0,1]=4 43 B8R0.4 CSCCCCCCO S931667 [0,1,0,0,0,0|2,0,1]=4 44 B8R0.4 CSCCCCCSC S375896 [0,1,0,0,0,0|3,0,0]=4 45 B8R0.4 [NH2+](CCCC)CCCC S348880 [0,1,0,0,0,0|3,0,0]=4 46 B8R0.6 CCCCCC(=O)NN S849049 [0,1,0,0,0,0|2,0,1]=4 47 B8R0.6 CCCCCC(=O)SC CDS010601 [0,1,0,0,0,0|3,0,0]=4 48 B8R0.6 CCOCCC(O)CC S347981 [0,1,0,0,0,0|2,0,0]=3 49 B8R0.7 C(=O)NCCCN(C)C S360856 [0,1,0,0,0,0|3,0,0]=4 50 B8R0.7 C(=O)OCCCC(=O)C R396036 [0,1,0,0,0,0|1,0,1]=3 51 B8R0.7 CC(=O)NCCCCN CDS021099 [0,1,0,0,0,0|3,0,0]=4 52 B8R0.7 CC(C)CCCCCN CDS001505 [0,1,0,0,0,0|3,0,0]=4 53 B8R0.7 CCCCCCC(C)C S430935 [0,1,0,0,0,0|3,0,0]=4 54 B8R0.7 CCCCCCC(C)Cl S564516 [0,1,0,0,0,0|3,0,0]=4 55 B8R0.7 CCCCCOC(=O)Cl CDS000346 [0,1,0,0,0,0|1,0,0]=2 56 B8R0.7 CCCCOCC(=O)O CDS008145 [0,1,0,0,0,0|3,0,0]=4 57 B8R0.7 CCCC[Hg]OC(=O)C S814512 [0,1,0,0,0,0|2,0,0]=3 58 B8R0.7 CCCNCCC(=O)O OTV000481 [0,1,0,0,0,0|3,0,0]=4 59 B8R0.7 CCSCCCC(=O)O PH008798 [0,1,0,0,0,0|3,0,0]=4 60 B8R0.7 NC(=O)CCCCCBr CDS003086 [0,1,0,0,0,0|3,0,0]=4 61 B8R0.7 NCCCCCC(=O)N CDS015235 [0,1,0,0,0,0|3,0,0]=4 62 B8R1.2 BrCC1CCOCC1 CDS013754 [0,0,0,1,0,0|3,0,0]=4 63 B8R1.2 CNC1CCOCC1 CDS001741 [0,0,0,1,0,0|3,0,0]=4 64 B8R1.2 NCC1CCOCC1 CDS003651 [0,0,0,1,0,0|3,0,0]=4 65 B8R1.2 NNC1CCCCC1 S859435 [0,0,0,1,0,0|2,0,1]=4 66 B8R1.2 O=CC1CCCCO1 CDS019507 [0,0,0,1,0,0|3,0,0]=4 67 B8R1.2 O=CC1CCNCC1 CDS013816 [0,0,0,1,0,0|3,0,0]=4 68 B8R1.2 O=CC1CCOCC1 CDS020197 [0,0,0,1,0,0|3,0,0]=4 69 B8R1.2 O=CC1CCSCC1 CDS020250 [0,0,0,1,0,0|3,0,0]=4 70 B8R1.2 ON=C1CCSCC1 SYX00364 [0,0,0,1,0,0|2,0,1]=4 71 B8R1.2 SCC1CCCCC1 CDS020661 [0,0,0,1,0,0|2,1,0]=4 72 B8R1.2 SCN1CCCCC1 S302953 [0,0,0,1,0,0|2,1,0]=4 73 B8R1.5 CC1SCCNC1=O R305707 [0,0,0,1,0,0|3,0,0]=4 74 B8R1.5 NC1CCCNC1=O CDS020148 [0,0,0,1,0,0|3,0,0]=4 75 B8R1.5 N[C@H]1CCCNC1=O CDS019710 [0,0,0,1,0,0|3,0,0]=4 76 B8R1.8 CCCC1C=CCC1 R289795 [0,0,0,1,0,0|3,0,0]=4 77 B8R1.8 CCNC1CCCC1 CBR00868 [0,0,0,1,0,0|3,0,0]=4 78 B8R1.8 CCOC1CCNC1 CDS023169 [0,0,0,1,0,0|3,0,0]=4 79 B8R1.8 CNCC1CCOC1 CBR01975 [0,0,0,1,0,0|3,0,0]=4 80 B8R1.8 NCCC1CCCC1 CDS008185 [0,0,0,1,0,0|3,0,0]=4 81 B8R1.8 NCCC1CCCC1 T175072 [0,0,0,1,0,0|3,0,0]=4 82 B8R1.8 S=C=NC1CCCC1 CDS000716 [0,0,0,1,0,0|2,1,0]=4 83 B8R1.11 CCC1CCNC1=O CBR01663 [0,0,0,1,0,0|2,0,0]=3 84 B8R1.22 CC1CCCCCO1 T168866 [0,0,0,1,0,0|2,0,0]=3 85 B8R1.22 O=C1CCSCCN1 SYX00233 [0,0,0,1,0,0|3,0,0]=4 86 B8R1.22 O=C1CNCCCN1 CDS019453 [0,0,0,1,0,0|3,0,0]=4 87 B8R1.22 OC1CCCCCO1 S866032 [0,0,0,1,0,0|1,0,1]=3 88 B8R1.49 C1=CCOCCCC1 T177512 [0,0,0,1,0,0|2,0,1]=4 89 B5R0.2 CCC/C=N/O S429139 [2,0,0,0,0,0|0,0,2]=4 90 B5R0.2 CCCCSC S447420 [2,0,0,0,0,0|1,1,0]=4 91 B5R0.2 CCCC[Hg]Cl S829617 [2,0,0,0,0,0|2,0,0]=4 92 B5R0.2 CCCNCC CDS000615 [2,0,0,0,0,0|2,0,0]=4 93 B5R0.2 CCCOCC CDS000380 [2,0,0,0,0,0|2,0,0]=4 94 B5R0.2 CCOCCN CDS000379 [2,0,0,0,0,0|1,0,1]=4 95 B5R0.2 CCSCCO PH011451 [2,0,0,0,0,0|1,0,0]=3 96 B5R0.2 CNCCCBr PH013730 [2,0,0,0,0,0|2,0,0]=4 97 B5R0.2 COCCSC S698245 [2,0,0,0,0,0|2,0,0]=4 98 B7R0.3 C(=O)C(=C)CCCC R425885 [1,1,0,0,0,0|1,0,1]=4 99 B7R0.3 C=CCCC(O)CC PH011335 [1,1,0,0,0,0|2,0,0]=4 100 B7R0.3 CCCCC(N)CC CDS021471 [1,1,0,0,0,0|2,0,0]=4 101 B7R0.4 CC(=O)OCCCS S786683 [1,1,0,0,0,0|2,0,0]=4 102 B7R0.4 CCCCCC(=N)N CBR01197 [1,1,0,0,0,0|1,0,0]=3 103 B7R0.4 CCCCCC(C)Cl CDS000285 [1,1,0,0,0,0|2,0,0]=4 104 B7R0.4 CCCCNC(=O)C CDS013581 [1,1,0,0,0,0|2,0,0]=4 105 B7R0.4 CCCCSC(=N)N S500534 [1,1,0,0,0,0|2,0,0]=4 106 B7R0.4 CCCCSC(=N)N S557153 [1,1,0,0,0,0|2,0,0]=4 107 B7R0.4 CCOCCC(=N)N PH016244 [1,1,0,0,0,0|2,0,0]=4 108 B7R0.4 CCOCCC(=O)O S448745 [1,1,0,0,0,0|2,0,0]=4 109 B7R0.4 CNCCCC(=O)O PH006886 [1,1,0,0,0,0|2,0,0]=4 110 B7R0.4 COCCCC(=O)O CDS021485 [1,1,0,0,0,0|2,0,0]=4 111 B7R0.4 COCCCC(C)O S671169 [1,1,0,0,0,0|1,0,0]=3 112 B7R0.4 COCCNC(C)C CDS000174 [1,1,0,0,0,0|2,0,0]=4 113 B7R0.4 CSCCCC(=O)O OTV000795 [1,1,0,0,0,0|2,0,0]=4 114 B7R0.4 CSCCOC(=O)C S375721 [1,1,0,0,0,0|2,0,0]=4 115 B7R0.4 NC(=O)CCCCO S441481 [1,1,0,0,0,0|2,0,0]=4 116 B7R0.7 C=CCC(O)CCC S350389 [1,1,0,0,0,0|2,0,0]=4 117 B7R0.7 CCCC(C)CC#N PH002982 [1,1,0,0,0,0|1,0,1]=4 118 B7R0.7 CCCC(Cl)CCC S563323 [1,1,0,0,0,0|2,0,0]=4 119 B7R0.7 CCCC(S)CCO CDS001520 [1,1,0,0,0,0|1,0,1]=4 120 B9R0.4 CCCCC(N)CC(=O)O CBR00513 [0,2,0,0,0,0|2,0,0]=4 121 B9R0.5 CCCCOC(C)OCC S240214 [0,2,0,0,0,0|2,0,0]=4 122 B9R0.18 CCCCC(C)OCC#N S240389 [0,2,0,0,0,0|2,0,0]=4 123 B9R0.18 CCOCC(O)COCC S433292 [0,2,0,0,0,0|2,0,0]=4 124 B9R0.48 CCC[C@H](C)CCC(=O)O PH008003 [0,2,0,0,0,0|2,0,0]=4 125 B9R0.2 COCCCCCC(=O)O CBR00492 [0,2,0,0,0,0|2,0,0]=4 126 B9R0.45 CCCCCCCN=C=S PH011071 [0,2,0,0,0,0|1,1,0]=4 127 B9R0.45 CCCCCCOCC#N S240370 [0,2,0,0,0,0|2,0,0]=4 128 B9R0.45 N#CCCCCCCC=O PH008272 [0,2,0,0,0,0|2,0,0]=4 129 B9R0.46 CCCCCC/C(=N/O)/C S648302 [0,2,0,0,0,0|1,0,1]=4 130 B9R0.46 CCCCCNC(=O)CCl S627690 [0,2,0,0,0,0|2,0,0]=4 131 B9R0.1 COC(C)CCOC(=O)C CDS000509 [0,2,0,0,0,0|2,0,0]=4 132 B9R0.38 CCCCCCS(=O)(=O)[O-] R426628 [0,2,0,0,0,0|2,0,0]=4 133 B7R1.1 BrCC1CCCC1 CDS005521 [1,0,0,1,0,0|2,0,0]=4 134 B7R1.1 CCC1C=CCC1 S416223 [1,0,0,1,0,0|2,0,0]=4 135 B7R1.1 CNC1CCCC1 CDS004583 [1,0,0,1,0,0|1,0,1]=4 136 B7R1.1 COC1CCNC1 CDS009205 [1,0,0,1,0,0|2,0,0]=4 137 B7R1.1 ClCC1CCOC1 CDS022549 [1,0,0,1,0,0|2,0,0]=4 138 B7R1.1 NCC1CCCC1 SYX00193 [1,0,0,1,0,0|1,0,1]=4 139 B7R1.1 O=CC1CCCO1 CDS005466 [1,0,0,1,0,0|2,0,0]=4 140 B7R1.3 NC1CCCCC1 S512877 [1,0,0,1,0,0|1,0,1]=4 141 B7R1.3 NC1CCCCC1 S669822 [1,0,0,1,0,0|1,0,1]=4 142 B7R1.3 NC1CCCCC1 S926507 [1,0,0,1,0,0|1,0,1]=4 143 B7R1.3 NC1CCCOC1 CDS009128 [1,0,0,1,0,0|2,0,0]=4 144 B7R1.3 O=C1CCCNC1 CDS006090 [1,0,0,1,0,0|2,0,0]=4 145 B7R1.3 O=C1COCCO1 PH009771 [1,0,0,1,0,0|2,0,0]=4 146 B7R1.3 O=C1NCCCO1 CBR00063 [1,0,0,1,0,0|2,0,0]=4 147 B7R1.3 O=C1OCCCO1 S939668 [1,0,0,1,0,0|2,0,0]=4 148 B7R1.3 O=S1CCCSC1 S885002 [1,0,0,1,0,0|1,1,0]=4 149 B7R1.3 O=S1CCNCC1 CDS019871 [1,0,0,1,0,0|1,1,0]=4 150 B7R1.4 CC1CCCC1C R289701 [1,0,0,1,0,0|2,0,0]=4 151 B7R1.4 CC1CCCC1O CDS001174 [1,0,0,1,0,0|1,0,1]=4 152 B7R1.4 NC1CCOC1=O CDS012715 [1,0,0,1,0,0|2,0,0]=4 153 B7R1.5 CC1CC1CNN PH019040 [1,0,0,1,0,0|1,0,1]=4 154 B7R1.6 NCCC1CCC1 CBR02277 [1,0,0,1,0,0|1,0,1]=4 155 B7R1.6 NNCC1CCC1 PH019044 [1,0,0,1,0,0|1,0,1]=4 156 B7R1.6 O=C=NC1CCC1 CDS019187 [1,0,0,1,0,0|2,0,0]=4 157 B7R1.7 NNCCC1CC1 PH019451 [1,0,0,1,0,0|1,0,1]=4 158 B7R1.7 O=COCC1CO1 PH008850 [1,0,0,1,0,0|2,0,0]=4 159 B7R1.24 C1CNCCOC1 CDS001609 [1,0,0,1,0,0|2,0,0]=4 160 B9R1.2 C(=O)C1=CC(CCC1)C S895652 [0,1,0,1,0,0|2,0,0]=4 161 B9R1.8 CCCC1COCCN1 CBR00294 [0,1,0,1,0,0|2,0,0]=4 162 B9R1.8 CCOC1CCCCO1 S359033 [0,1,0,1,0,0|2,0,0]=4 163 B9R1.8 CCOC1CCNCC1 CBR01194 [0,1,0,1,0,0|2,0,0]=4 164 B9R1.8 CNCC1CCOCC1 CDS009689 [0,1,0,1,0,0|2,0,0]=4 165 B9R1.8 NCCC1CCOCC1 CDS006180 [0,1,0,1,0,0|2,0,0]=4 166 B9R1.12 CCCCC1OCCO1 T330108 [0,1,0,1,0,0|1,0,1]=4 167 B9R1.12 NCCCC1CCOC1 T325317 [0,1,0,1,0,0|2,0,0]=4 168 B9R1.12 O=C=NCC1CCCO1 CDS023181 [0,1,0,1,0,0|2,0,0]=4 169 B9R1.12 O=CCCC1CCCC1 CDS023037 [0,1,0,1,0,0|2,0,0]=4 170 B9R1.15 CC\1CCCC/C1=N\O PH001354 [0,1,0,1,0,0|1,0,1]=4 171 B9R1.33 C=CCC1CCOC1=O T230685 [0,1,0,1,0,0|1,0,1]=4 172 B9R1.33 NCCN1CCOC1=O CBR01024 [0,1,0,1,0,0|2,0,0]=4 173 B9R1.33 O=C1OCCN1CCO CDS013723 [0,1,0,1,0,0|2,0,0]=4 174 B9R1.50 OC1CCCCCOC1 T168815 [0,1,0,1,0,0|1,0,1]=4 175 B9R1.69 CC1CCC(=O)C(C1)C T295450 [0,1,0,1,0,0|2,0,0]=4 176 B9R1.69 C[C@H]1C[C@H](COC1=O)C T269239 [0,1,0,1,0,0|1,0,0]=3 177 B9R1.5 N[C@@H]1CCCCNC1=O CDS006947 [0,1,0,1,0,0|2,0,0]=4 178 B9R1.5 O=C1CCCCCC1=O PH003588 [0,1,0,1,0,0|2,0,0]=4 179 B9R1.89 C(=O)N1CCCCCC1 S430455 [0,1,0,1,0,0|1,0,1]=4 180 B9R1.89 O=CC1CCCCCC1 PH015086 [0,1,0,1,0,0|2,0,0]=4 181 B9R1.3 CC1CCCC(=O)C1C CDS023514 [0,1,0,1,0,0|2,0,0]=4 182 B9R1.6 CC(=O)C1CCCCC1 PH000084 [0,1,0,1,0,0|2,0,0]=4 183 B9R1.13 CC(=O)CC1CCCC1 L162353 [0,1,0,1,0,0|2,0,0]=4 184 B9R1.13 CC(=O)OC1CCCC1 CDS018837 [0,1,0,1,0,0|1,0,0]=3 185 B9R1.13 NC(=O)NC1CCCC1 S345148 [0,1,0,1,0,0|2,0,0]=4 186 B9R1.13 O=C(Cl)CC1CCCC1 CDS001438 [0,1,0,1,0,0|2,0,0]=4 187 B9R1.41 CC(C)C1CCCC1=O CDS023294 [0,1,0,1,0,0|2,0,0]=4 188 B9R2.109 O=C1CCCC2C1C2 T179566 [0,0,0,2,0,0|2,0,0]=4 189 B9R2.7 [C@H]12CCC[C@H]1C(=O)N2 T191981 [0,0,0,2,0,0|2,0,0]=4 190 B9R2.20 [C@H]12CCC(=O)[C@H]1CC2 T177652 [0,0,0,2,0,0|2,0,0]=4