0 B5R0.2 C#CCSCC R436380 [0,0,0,0,0,0|3,0,1]=4 1 B5R0.2 C(=O)CCC=C CDS000721 [0,0,0,0,0,0|1,0,1]=2 2 B5R0.2 C=CCNCC PH014544 [0,0,0,0,0,0|3,0,0]=3 3 B5R0.2 C=CCSCC S620327 [0,0,0,0,0,0|3,0,0]=3 4 B5R0.2 C=CSCCO PH007226 [0,0,0,0,0,0|4,0,0]=4 5 B5R0.2 CCC/C=N/O S429139 [0,0,0,0,0,0|2,0,2]=4 6 B5R0.2 CCCCSC S447420 [0,0,0,0,0,0|1,0,1]=2 7 B5R0.2 CCCC[Hg]Cl S829617 [0,0,0,0,0,0|3,0,0]=3 8 B5R0.2 CCCNCC CDS000615 [0,0,0,0,0,0|3,0,1]=4 9 B5R0.2 CCCOCC CDS000380 [0,0,0,0,0,0|3,0,1]=4 10 B5R0.2 CCOCCN CDS000379 [0,0,0,0,0,0|3,0,1]=4 11 B5R0.2 CCSCCO PH011451 [0,0,0,0,0,0|2,0,2]=4 12 B5R0.2 CNCCCBr PH013730 [0,0,0,0,0,0|2,0,1]=3 13 B5R0.2 COCCSC S698245 [0,0,0,0,0,0|2,0,0]=2 14 B5R0.2 CSCCC#N T160407 [0,0,0,0,0,0|1,0,1]=2 15 B4R0.2 C=CCCN CDS021978 [1,0,0,0,0,0|2,0,0]=3 16 B4R0.2 CCCC[NH3+] S342920 [1,0,0,0,0,0|1,0,1]=3 17 B4R0.2 CC[PbH2]CC S818542 [1,0,0,0,0,0|2,0,1]=4 18 B4R0.2 CNCC#N CDS000167 [1,0,0,0,0,0|2,0,1]=4 19 B4R0.2 CNCC#N S570885 [1,0,0,0,0,0|2,0,1]=4 20 B4R0.2 CS[PbH2]SC S549991 [1,0,0,0,0,0|2,0,1]=4 21 B4R0.2 N#CCCI PH007185 [1,0,0,0,0,0|2,0,1]=4 22 B4R0.2 N#CCCN CDS007521 [1,0,0,0,0,0|2,0,1]=4 23 B4R0.2 N#CCCS OTV000794 [1,0,0,0,0,0|1,0,1]=3 24 B4R0.2 NCCCF CDS007794 [1,0,0,0,0,0|2,0,1]=4 25 B4R0.2 OC/C=C/Br S880973 [1,0,0,0,0,0|1,1,1]=4 26 B4R0.2 OCCCF CDS002969 [1,0,0,0,0,0|1,0,2]=4 27 B4R0.2 SCCCN OTV000791 [1,0,0,0,0,0|1,0,1]=3 28 B6R0.1 C(=O)CC(C)OC T278319 [0,1,0,0,0,0|0,1,0]=2 29 B6R0.1 C/C=C/[C@H](C)CC R289493 [0,1,0,0,0,0|2,0,1]=4 30 B6R0.1 C/C=C\C(C)CC R289485 [0,1,0,0,0,0|2,0,1]=4 31 B6R0.1 CCC(C)CCN CBR00385 [0,1,0,0,0,0|2,0,1]=4 32 B6R0.1 CCC(C)NC=O S620394 [0,1,0,0,0,0|2,0,0]=3 33 B6R0.1 CCCC(C)NC PH018184 [0,1,0,0,0,0|2,0,1]=4 34 B6R0.1 CCCC(N)CC CBR01120 [0,1,0,0,0,0|2,0,1]=4 35 B6R0.1 CC[C@@H](N)CC#N CDS005516 [0,1,0,0,0,0|2,0,1]=4 36 B6R0.1 CC[C@H](N)COC PH019017 [0,1,0,0,0,0|1,1,1]=4 37 B6R0.1 CNC(C)CCO CBR02003 [0,1,0,0,0,0|1,0,2]=4 38 B6R0.1 COCC(O)CCl S615455 [0,1,0,0,0,0|1,1,1]=4 39 B6R0.1 COCC(O)CN CDS009718 [0,1,0,0,0,0|1,1,1]=4 40 B6R0.4 C=C(Br)CCCO T297658 [0,1,0,0,0,0|3,0,0]=4 41 B6R0.4 C=CCCC(C)C R289442 [0,1,0,0,0,0|2,0,0]=3 42 B6R0.4 C=CCNC(=O)C EME00415 [0,1,0,0,0,0|2,0,1]=4 43 B6R0.4 C=CCNC(C)C CBR02371 [0,1,0,0,0,0|3,0,0]=4 44 B6R0.4 C=COCC(=C)C T284386 [0,1,0,0,0,0|3,0,0]=4 45 B6R0.4 CC(=O)NCCCl CDS001220 [0,1,0,0,0,0|3,0,0]=4 46 B6R0.4 CC(=O)OCCS S363049 [0,1,0,0,0,0|3,0,0]=4 47 B6R0.4 CC/C=C/C(=O)Cl PH009861 [0,1,0,0,0,0|1,0,2]=4 48 B6R0.4 CCC#CC(=O)C CDS000006 [0,1,0,0,0,0|1,0,2]=4 49 B6R0.4 CCCC=C(C)C S419117 [0,1,0,0,0,0|2,0,1]=4 50 B6R0.4 CCCCC(=N)N PH017352 [0,1,0,0,0,0|2,0,0]=3 51 B6R0.4 CCCCC(=S)N PH000512 [0,1,0,0,0,0|1,1,0]=3 52 B6R0.4 CCCNC(=N)N L254797 [0,1,0,0,0,0|3,0,0]=4 53 B6R0.4 CCCSC(=O)C CDS000298 [0,1,0,0,0,0|2,0,0]=3 54 B6R0.4 CCNCC(=O)N S877379 [0,1,0,0,0,0|2,0,0]=3 55 B6R0.4 CCNCC(=O)N S986194 [0,1,0,0,0,0|2,0,0]=3 56 B6R0.4 CCSCC(=O)C S614262 [0,1,0,0,0,0|2,0,0]=3 57 B6R0.4 CNCCC(=O)O CDS013939 [0,1,0,0,0,0|1,0,0]=2 58 B6R0.4 CO/N=C/C(=O)O CDS023875 [0,1,0,0,0,0|1,1,1]=4 59 B6R0.4 COCCC(=N)N CBR01198 [0,1,0,0,0,0|1,1,0]=3 60 B6R0.4 CSCCC(=O)Cl CDS000414 [0,1,0,0,0,0|0,0,0]=1 61 B6R0.4 CSCCC(C)C S351520 [0,1,0,0,0,0|1,0,1]=3 62 B6R0.4 N#CCCC(=O)O CDS009069 [0,1,0,0,0,0|2,0,0]=3 63 B6R0.4 NC(=O)CCCCl OTV000845 [0,1,0,0,0,0|2,0,0]=3 64 B6R0.4 NC(=O)NCCCl CDS000493 [0,1,0,0,0,0|3,0,0]=4 65 B6R0.4 O=C(O)CCCS CDS004545 [0,1,0,0,0,0|2,0,0]=3 66 B6R0.4 [C-]#[N+]CCC(C)C CDS008921 [0,1,0,0,0,0|3,0,0]=4 67 B6R0.6 C=C=CCCCO CVT00100 [0,1,0,0,0,0|3,0,0]=4 68 B6R0.6 C=CCNCC=C CDS000449 [0,1,0,0,0,0|2,0,1]=4 69 B6R0.6 C=CCSCCC S357391 [0,1,0,0,0,0|2,0,0]=3 70 B6R0.6 CCCCCSC S357952 [0,1,0,0,0,0|1,0,1]=3 71 B6R0.6 CCCCNC=O S550981 [0,1,0,0,0,0|1,0,0]=2 72 B6R0.6 CCCCSC#N S449814 [0,1,0,0,0,0|1,0,2]=4 73 B6R0.6 CCCNCCC R580155 [0,1,0,0,0,0|2,0,1]=4 74 B6R0.6 CCCOCC#N PH011429 [0,1,0,0,0,0|2,0,1]=4 75 B6R0.6 CCCSCCO S408859 [0,1,0,0,0,0|1,0,2]=4 76 B6R0.6 CCOCC[Hg]Cl S564443 [0,1,0,0,0,0|2,1,0]=4 77 B6R0.6 CCSCCCO PH017932 [0,1,0,0,0,0|0,0,2]=3 78 B6R0.6 COCCCC=O CDS022820 [0,1,0,0,0,0|0,1,0]=2 79 B6R0.6 COCCN=C=O CBR02010 [0,1,0,0,0,0|0,1,1]=3 80 B6R0.6 COCCNC=O PH007296 [0,1,0,0,0,0|0,1,0]=2 81 B6R0.6 FCCCCCBr CBR02103 [0,1,0,0,0,0|2,0,1]=4 82 B6R0.6 [C-]#[N+]CCCOC PH015420 [0,1,0,0,0,0|1,1,1]=4 83 B6R1.1 C1COCCN1 S503576 [0,0,0,1,0,0|2,1,0]=4 84 B6R1.1 C1COCCN1 S579327 [0,0,0,1,0,0|2,1,0]=4 85 B6R1.1 C1COCCN1 S683396 [0,0,0,1,0,0|2,1,0]=4 86 B6R1.2 CC1CCNC1 CDS003772 [0,0,0,1,0,0|2,0,1]=4 87 B6R1.2 C[C@@H]1CCNC1 CDS006861 [0,0,0,1,0,0|2,0,1]=4 88 B6R1.2 C[C@H]1CCNC1 CDS009158 [0,0,0,1,0,0|2,0,1]=4 89 B6R1.2 O=C1CC=CC1 CDS003851 [0,0,0,1,0,0|1,0,1]=3 90 B6R1.2 O=C1NCCS1 CDS011623 [0,0,0,1,0,0|3,0,0]=4 91 B6R1.2 O[C@H]1CCNC1 CDS003495 [0,0,0,1,0,0|1,0,2]=4 92 B6R1.3 CNCC1CC1 CBR00064 [0,0,0,1,0,0|2,0,1]=4 93 B6R1.3 NCCC1CC1 CDS004252 [0,0,0,1,0,0|2,0,1]=4 94 B6R1.4 CC1CCC1=O CDS021461 [0,0,0,1,0,0|1,0,0]=2 95 B6R1.4 O=C1CCC1=O S869309 [0,0,0,1,0,0|2,0,0]=3 96 B6R1.6 BrCC1COC1 CDS024465 [0,0,0,1,0,0|1,1,1]=4 97 B6R1.6 COC1CNC1 CDS006482 [0,0,0,1,0,0|2,1,0]=4 98 B6R1.6 ICC1COC1 CDS024395 [0,0,0,1,0,0|1,1,1]=4 99 B6R1.6 N#CC1CCC1 CDS014291 [0,0,0,1,0,0|2,0,1]=4 100 B6R1.6 NCC1CCC1 CDS009558 [0,0,0,1,0,0|2,0,1]=4 101 B6R1.8 CCC1CC1N CDS012189 [0,0,0,1,0,0|2,0,1]=4 102 B3R0.1 C=CCN CDS000416 [2,0,0,0,0,0|1,0,1]=4 103 B3R0.1 CCCC S124796 [2,0,0,0,0,0|0,0,1]=3 104 B3R0.1 CCNC CDS013740 [2,0,0,0,0,0|1,0,0]=3 105 B3R0.1 CC[Hg]Cl S659541 [2,0,0,0,0,0|2,0,0]=4 106 B3R0.1 NCCN S573019 [2,0,0,0,0,0|2,0,0]=4 107 B3R0.1 [O-]CC[O-] R647071 [2,0,0,0,0,0|0,1,1]=4 108 B5R0.1 C(=O)CC(C)O CDS019977 [1,1,0,0,0,0|0,0,0]=2 109 B5R0.1 C(=O)NC(C)C S378380 [1,1,0,0,0,0|1,0,0]=3 110 B5R0.1 C=C(C)CSC S866024 [1,1,0,0,0,0|0,0,1]=3 111 B5R0.1 CC(=O)CCN OTV000740 [1,1,0,0,0,0|1,0,0]=3 112 B5R0.1 CC(Br)CC#N CDS003547 [1,1,0,0,0,0|1,0,1]=4 113 B5R0.1 CC(C)CCCl S564524 [1,1,0,0,0,0|1,0,1]=4 114 B5R0.1 CC(O)CNN CBR01627 [1,1,0,0,0,0|2,0,0]=4 115 B5R0.1 CCNC(=N)N PH018983 [1,1,0,0,0,0|2,0,0]=4 116 B5R0.1 CCOC(=S)N PH003667 [1,1,0,0,0,0|1,1,0]=4 117 B5R0.1 CCOC(=S)[S-] R464988 [1,1,0,0,0,0|1,1,0]=4 118 B5R0.1 CCOC(=S)[S-] R533475 [1,1,0,0,0,0|1,1,0]=4 119 B5R0.1 CN(C)CCBr PH011840 [1,1,0,0,0,0|2,0,0]=4 120 B5R0.1 CN(C)CCO S573124 [1,1,0,0,0,0|1,0,1]=4 121 B5R0.1 CNCC(=O)C CBR02406 [1,1,0,0,0,0|1,0,0]=3 122 B5R0.1 CNCC(C)C CDS000422 [1,1,0,0,0,0|1,0,1]=4 123 B5R0.1 COCC(=N)N CBR01671 [1,1,0,0,0,0|1,1,0]=4 124 B5R0.1 COCC(=O)N S371874 [1,1,0,0,0,0|0,1,0]=3 125 B5R0.1 COC[C@@H](C)N CDS023796 [1,1,0,0,0,0|0,1,1]=4 126 B5R0.1 COC[C@H](C)N CDS001149 [1,1,0,0,0,0|0,1,1]=4 127 B5R0.1 CONC(=O)N S802999 [1,1,0,0,0,0|1,1,0]=4 128 B5R0.1 CSCC(=N)N OTV000870 [1,1,0,0,0,0|1,0,0]=3 129 B5R0.1 N=C(N)CCO PH014361 [1,1,0,0,0,0|1,1,0]=4 130 B5R0.1 NCCC(=O)N CDS000027 [1,1,0,0,0,0|1,0,0]=3 131 B5R0.1 O=C(O)C[Hg]Cl S881910 [1,1,0,0,0,0|2,0,0]=4 132 B5R0.3 C(=O)C(S)CO S612626 [1,1,0,0,0,0|0,1,0]=3 133 B5R0.3 C=CC(O)CBr TMT00686 [1,1,0,0,0,0|2,0,0]=4 134 B5R0.3 CCC(C)NN PH019109 [1,1,0,0,0,0|2,0,0]=4 135 B5R0.3 CCC(N)CC TMT00064 [1,1,0,0,0,0|1,0,1]=4 136 B5R0.3 CCC(O)CBr PH018186 [1,1,0,0,0,0|1,0,1]=4 137 B5R0.3 CCC(O)CN CDS000624 [1,1,0,0,0,0|1,0,1]=4 138 B7R0.2 C=CC(O)CC(C)C PH008414 [0,2,0,0,0,0|2,0,0]=4 139 B7R0.2 CC(=O)NC(C)C=O PH018360 [0,2,0,0,0,0|2,0,0]=4 140 B7R0.2 CCC(C)CC(=O)Cl PH016167 [0,2,0,0,0,0|1,0,0]=3 141 B7R0.2 CCC(N)CC(=O)O CDS006113 [0,2,0,0,0,0|1,0,0]=3 142 B7R0.2 CC[C@H](C)CC(=O)O CDS005352 [0,2,0,0,0,0|1,0,0]=3 143 B7R0.2 CNC(C)CC(=O)N CBR01535 [0,2,0,0,0,0|1,0,0]=3 144 B7R0.2 COC(=O)CC(=O)O CDS001491 [0,2,0,0,0,0|0,1,1]=4 145 B7R0.2 CS/C(=N/C(=O)C)/N PH014070 [0,2,0,0,0,0|1,0,1]=4 146 B7R0.2 NC(=O)C[C@H](O)CO PH015444 [0,2,0,0,0,0|2,0,0]=4 147 B7R0.2 N[C@H](CO)CC(=O)O CDS007412 [0,2,0,0,0,0|2,0,0]=4 148 B7R0.3 C(=O)C(=C)CCCC R425885 [0,2,0,0,0,0|1,0,0]=3 149 B7R0.3 C=C(CC)CCCC CDS000215 [0,2,0,0,0,0|2,0,0]=4 150 B7R0.3 C=CC(O)C/C=C\C T241768 [0,2,0,0,0,0|2,0,0]=4 151 B7R0.3 C=CCCC(O)CC PH011335 [0,2,0,0,0,0|2,0,0]=4 152 B7R0.3 C=CCSC(C)CC S366307 [0,2,0,0,0,0|2,0,0]=4 153 B7R0.3 CCCNC(=O)CCl OTV000047 [0,2,0,0,0,0|2,0,0]=4 154 B7R0.3 CCCOC(=O)CBr PH011324 [0,2,0,0,0,0|2,0,0]=4 155 B7R0.3 CCCOC(=O)CCl S431443 [0,2,0,0,0,0|2,0,0]=4 156 B7R0.3 CCCOC(=O)CN PH019063 [0,2,0,0,0,0|2,0,0]=4 157 B7R0.3 CCOCC(=O)OC EME00071 [0,2,0,0,0,0|2,0,0]=4 158 B7R0.3 CCSCC(O)CO R161446 [0,2,0,0,0,0|0,0,2]=4 159 B7R0.3 CCSCC(O)CO S327050 [0,2,0,0,0,0|0,0,2]=4 160 B7R0.3 CNCCC(=O)NC CBR01261 [0,2,0,0,0,0|1,0,0]=3 161 B7R0.3 COC(=O)CCC#N S369640 [0,2,0,0,0,0|2,0,0]=4 162 B7R0.3 COCCC(=O)NN CDS018970 [0,2,0,0,0,0|0,1,0]=3 163 B7R0.3 NNC(=O)CCCO CDS001562 [0,2,0,0,0,0|2,0,0]=4 164 B7R0.5 C#CC[C@@H](N)C(=O)O CDS005053 [0,2,0,0,0,0|1,0,1]=4 165 B7R0.5 C=CCC(O)C(=C)C S881163 [0,2,0,0,0,0|2,0,0]=4 166 B7R0.5 CC(=O)C(Cl)CCO S561894 [0,2,0,0,0,0|2,0,0]=4 167 B7R0.5 CCN[C@@H](C)C(=O)N CDS021310 [0,2,0,0,0,0|2,0,0]=4 168 B7R0.5 CCOC(C)C(=O)O CBR01494 [0,2,0,0,0,0|2,0,0]=4 169 B7R0.5 CCSC(C)C(=O)O CBR01403 [0,2,0,0,0,0|2,0,0]=4 170 B7R0.5 CNCC(C)C(=O)O CBR01429 [0,2,0,0,0,0|1,0,0]=3 171 B7R0.5 CSC[C@@H](C)C(=O)O PH009560 [0,2,0,0,0,0|0,0,0]=2 172 B7R0.5 NCCC(N)C(=O)O PH018181 [0,2,0,0,0,0|2,0,0]=4 173 B7R0.7 C/C=C/C(O)CCC S417386 [0,2,0,0,0,0|2,0,0]=4 174 B7R0.7 C=CCC(O)/C=C\C S505013 [0,2,0,0,0,0|2,0,0]=4 175 B7R0.7 C=CCC(O)CCC S350389 [0,2,0,0,0,0|2,0,0]=4 176 B7R0.7 CSCC(O)CSC R227919 [0,2,0,0,0,0|0,1,1]=4 177 B7R0.11 C=CC(C)(O)CCC S504823 [0,2,0,0,0,0|2,0,0]=4 178 B7R0.11 C=CCC(C)(O)CC S411957 [0,2,0,0,0,0|2,0,0]=4 179 B7R0.11 CCCC(Cl)(Cl)C=O PH014411 [0,2,0,0,0,0|1,0,0]=3 180 B7R0.4 C#CCOCC(=O)C S38874 [0,2,0,0,0,0|1,0,1]=4 181 B7R0.4 C=C(Br)CCCCBr S881252 [0,2,0,0,0,0|2,0,0]=4 182 B7R0.4 C=C=CCCC(=O)O CVT00110 [0,2,0,0,0,0|1,0,1]=4 183 B7R0.4 C=CCCOC(=O)C S510343 [0,2,0,0,0,0|1,0,1]=4 184 B7R0.4 C=CCOCC(=O)O CDS023318 [0,2,0,0,0,0|1,0,1]=4 185 B7R0.4 C=COCCN(C)C S441066 [0,2,0,0,0,0|2,0,0]=4 186 B7R0.4 C=CSCCN(C)C S339865 [0,2,0,0,0,0|2,0,0]=4 187 B7R0.4 CC(=O)NCCCO OTV000276 [0,2,0,0,0,0|2,0,0]=4 188 B7R0.4 CC(=O)OCCCS S786683 [0,2,0,0,0,0|2,0,0]=4 189 B7R0.4 CCC/C=C/C(=O)C CDS001219 [0,2,0,0,0,0|1,0,1]=4 190 B7R0.4 CCC/C=C/C(=O)N PH008310 [0,2,0,0,0,0|1,0,1]=4 191 B7R0.4 CCCCCC(=N)N CBR01197 [0,2,0,0,0,0|2,0,0]=4 192 B7R0.4 CCCCNC(=O)C CDS013581 [0,2,0,0,0,0|1,0,0]=3 193 B7R0.4 CCCCNC(=S)N S565970 [0,2,0,0,0,0|1,1,0]=4 194 B7R0.4 CCCCSC(=N)N S500534 [0,2,0,0,0,0|2,0,0]=4 195 B7R0.4 CCCCSC(=N)N S557153 [0,2,0,0,0,0|2,0,0]=4 196 B7R0.4 CCCCSC(C)C S570605 [0,2,0,0,0,0|1,0,1]=4 197 B7R0.4 CCOCCC(=N)N PH016244 [0,2,0,0,0,0|1,1,0]=4 198 B7R0.4 CCOCCC(=O)O S448745 [0,2,0,0,0,0|0,1,0]=3 199 B7R0.4 CNCCCC(=O)O PH006886 [0,2,0,0,0,0|1,0,0]=3 200 B7R0.4 COCCCC(=O)O CDS021485 [0,2,0,0,0,0|0,1,0]=3 201 B7R0.4 CSCCCC(=O)O OTV000795 [0,2,0,0,0,0|0,0,0]=2 202 B7R0.4 CSCCOC(=O)C S375721 [0,2,0,0,0,0|0,0,0]=2 203 B7R0.4 N#CCCCC(=O)O CDS007802 [0,2,0,0,0,0|1,0,1]=4 204 B7R0.4 N#CCSCC(=O)O EME00129 [0,2,0,0,0,0|2,0,0]=4 205 B7R0.4 NC(=O)CCCCO S441481 [0,2,0,0,0,0|1,0,0]=3 206 B7R0.4 NC(=O)COCCO S449792 [0,2,0,0,0,0|2,0,0]=4 207 B7R0.4 NCCNCC(=O)O CDS000144 [0,2,0,0,0,0|2,0,0]=4 208 B7R0.4 NCCOCC(=O)O T160229 [0,2,0,0,0,0|2,0,0]=4 209 B7R0.6 C=C(C)COC(=O)N S352055 [0,2,0,0,0,0|2,0,0]=4 210 B7R0.6 CC(C)CCC(=N)N CBR00806 [0,2,0,0,0,0|2,0,0]=4 211 B7R0.6 CC(C)CCC(=N)N PH014985 [0,2,0,0,0,0|2,0,0]=4 212 B7R0.6 CC(C)CCC(=O)Cl PH015411 [0,2,0,0,0,0|1,0,0]=3 213 B7R0.6 CC(C)COC(=O)N S362840 [0,2,0,0,0,0|2,0,0]=4 214 B7R0.6 CC(C)SCC(=O)O OTV000315 [0,2,0,0,0,0|2,0,0]=4 215 B7R0.6 CN(C)CCC(=N)S PH015242 [0,2,0,0,0,0|1,1,0]=4 216 B7R0.6 CN(C)CCC(=O)O CDS000423 [0,2,0,0,0,0|1,0,0]=3 217 B7R0.6 CN(C)CCC(=O)O CDS013778 [0,2,0,0,0,0|1,0,0]=3 218 B7R0.6 CS(=O)CCS(=O)C PH008108 [0,2,0,0,0,0|1,0,1]=4 219 B7R0.6 C[S+](C)CCC(=O)O CDS000190 [0,2,0,0,0,0|0,0,1]=3 220 B7R0.6 O=C(O)CCC(=O)O S427594 [0,2,0,0,0,0|2,0,0]=4 221 B7R0.8 CNCCS(=O)(=O)C CDS005459 [0,2,0,0,0,0|2,0,0]=4 222 B7R0.8 COCCS(=O)(=O)Cl CDS008347 [0,2,0,0,0,0|1,1,0]=4 223 B7R0.1 C(=O)NCCCOC S363286 [0,2,0,0,0,0|0,1,0]=3 224 B7R0.1 C/C=C\CCCCO S310700 [0,2,0,0,0,0|2,0,0]=4 225 B7R0.1 C=CCCCCCO S303445 [0,2,0,0,0,0|2,0,0]=4 226 B7R0.1 CCCCCON=O CDS000385 [0,2,0,0,0,0|1,0,1]=4 227 B7R0.1 CCCCSCCC S367192 [0,2,0,0,0,0|1,0,1]=4 228 B7R0.1 CCCCSCCO S527408 [0,2,0,0,0,0|1,0,1]=4 229 B7R0.1 CCSCCSCC S347876 [0,2,0,0,0,0|1,0,1]=4 230 B7R0.1 COCC/C=C/CCl S359556 [0,2,0,0,0,0|1,1,0]=4 231 B7R0.1 COCCSCCO PH010752 [0,2,0,0,0,0|2,0,0]=4 232 B7R0.1 N#CCCSCCO S578185 [0,2,0,0,0,0|1,0,1]=4 233 B5R1.1 C1=CCNC1 ANV00248 [1,0,0,1,0,0|1,0,1]=4 234 B5R1.1 C1=NNCC1 CDS000117 [1,0,0,1,0,0|2,0,0]=4 235 B5R1.2 O=C1CSC1 SYX00053 [1,0,0,1,0,0|0,0,0]=2 236 B5R1.3 CNC1CC1 CDS021441 [1,0,0,1,0,0|1,0,1]=4 237 B5R1.4 CC1CC1N CDS012259 [1,0,0,1,0,0|1,0,1]=4 238 B7R1.1 CC=C1CCCC1 S431559 [0,1,0,1,0,0|2,0,0]=4 239 B7R1.1 CCC1C=CCC1 S416223 [0,1,0,1,0,0|2,0,0]=4 240 B7R1.1 COC1C=CCC1 S702501 [0,1,0,1,0,0|1,1,0]=4 241 B7R1.1 O=CC1CCCO1 CDS005466 [0,1,0,1,0,0|1,0,0]=3 242 B7R1.2 CC1COC(=O)C1 PH007953 [0,1,0,1,0,0|2,0,0]=4 243 B7R1.2 CC1COC(=O)N1 CBR01603 [0,1,0,1,0,0|2,0,0]=4 244 B7R1.2 CC1OC(=O)CS1 PH007278 [0,1,0,1,0,0|1,0,0]=3 245 B7R1.2 C[C@H]1COC(=O)N1 ANV00127 [0,1,0,1,0,0|2,0,0]=4 246 B7R1.2 O=C1C=C(CC1)Cl PH014653 [0,1,0,1,0,0|1,0,1]=4 247 B7R1.2 O=C1CC(CO1)O S672874 [0,1,0,1,0,0|2,0,0]=4 248 B7R1.2 O=C1C[C@H](CO1)O CDS000753 [0,1,0,1,0,0|2,0,0]=4 249 B7R1.3 BrC1CCSCC1 CBR02203 [0,1,0,1,0,0|1,0,1]=4 250 B7R1.3 CC1=CCCNC1 PHB00292 [0,1,0,1,0,0|2,0,0]=4 251 B7R1.3 CC1=CCNCC1 CBR01822 [0,1,0,1,0,0|2,0,0]=4 252 B7R1.3 CC1=NCCCS1 PH000571 [0,1,0,1,0,0|1,0,1]=4 253 B7R1.3 CC1NCCCS1 T149675 [0,1,0,1,0,0|1,0,1]=4 254 B7R1.3 IC1=CCCCC1 PH008510 [0,1,0,1,0,0|2,0,0]=4 255 B7R1.3 O=C1CCCNC1 CDS006090 [0,1,0,1,0,0|1,0,0]=3 256 B7R1.3 O=C1COCCN1 T160245 [0,1,0,1,0,0|0,1,0]=3 257 B7R1.3 O=C1COCCO1 PH009771 [0,1,0,1,0,0|0,1,0]=3 258 B7R1.3 O=C1CSC=CN1 OTV000696 [0,1,0,1,0,0|0,0,2]=4 259 B7R1.3 O=C1CSCCN1 PH010392 [0,1,0,1,0,0|0,0,0]=2 260 B7R1.3 O=C1NCCCN1 S436712 [0,1,0,1,0,0|2,0,0]=4 261 B7R1.3 O=C1NCCCO1 CBR00063 [0,1,0,1,0,0|2,0,0]=4 262 B7R1.3 O=C1OCCCO1 S939668 [0,1,0,1,0,0|2,0,0]=4 263 B7R1.3 O=S1CCCSC1 S885002 [0,1,0,1,0,0|0,0,1]=3 264 B7R1.3 O=S1CCNCC1 CDS019871 [0,1,0,1,0,0|2,0,0]=4 265 B7R1.3 OC1CCCSC1 S461172 [0,1,0,1,0,0|0,0,2]=4 266 B7R1.4 CC1=C(CCC1)Br T256854 [0,1,0,1,0,0|2,0,0]=4 267 B7R1.4 CN1CCN=C1N S897663 [0,1,0,1,0,0|2,0,0]=4 268 B7R1.4 CN1CCNC1=O CDS006142 [0,1,0,1,0,0|1,0,0]=3 269 B7R1.4 NC1CCOC1=O CDS012715 [0,1,0,1,0,0|2,0,0]=4 270 B7R1.4 NC1CCSC1=O S784036 [0,1,0,1,0,0|2,0,0]=4 271 B7R1.4 NN1CCOC1=O S462624 [0,1,0,1,0,0|2,0,0]=4 272 B7R1.4 N[C@H]1CCNC1=O CDS010107 [0,1,0,1,0,0|2,0,0]=4 273 B7R1.4 O=C1NCC[C@@H]1O CDS004995 [0,1,0,1,0,0|2,0,0]=4 274 B7R1.6 O=C=NC1CCC1 CDS019187 [0,1,0,1,0,0|1,0,1]=4 275 B7R1.15 CC1NC(=O)C1C T173835 [0,1,0,1,0,0|2,0,0]=4 276 B7R1.15 CC1NC(=O)C1C T173843 [0,1,0,1,0,0|2,0,0]=4 277 B7R1.25 CC1(COC1)C=O CDS006155 [0,1,0,1,0,0|0,1,0]=3 278 B7R1.25 CC1(CSC1)CO SYX00240 [0,1,0,1,0,0|0,0,2]=4 279 B7R1.7 O=COCC1CO1 PH008850 [0,1,0,1,0,0|0,1,0]=3 280 B7R1.12 CC1CC1C(=O)N EME00444 [0,1,0,1,0,0|1,0,0]=3 281 B7R1.14 O=S1(=O)CCNC1 CDS008503 [0,1,0,1,0,0|2,0,0]=4 282 B7R1.17 CC1CCS1(=O)=O T172936 [0,1,0,1,0,0|2,0,0]=4 283 B7R1.17 [C@@H]1(CCS1(=O)=O)C T176281 [0,1,0,1,0,0|2,0,0]=4 284 B7R1.18 NC(=O)C1CCC1 S680745 [0,1,0,1,0,0|1,0,0]=3 285 B7R1.18 NC(=O)C1CNC1 PHB00032 [0,1,0,1,0,0|1,0,0]=3 286 B7R1.18 O=C(O)C1CCN1 CDS008419 [0,1,0,1,0,0|2,0,0]=4 287 B7R1.20 CC(=O)CC1CC1 PH014420 [0,1,0,1,0,0|1,0,0]=3 288 B7R1.20 O=C(O)CC1CC1 CDS000888 [0,1,0,1,0,0|1,0,0]=3 289 B7R1.24 C1=CCCC=CC1 T178241 [0,1,0,1,0,0|2,0,0]=4 290 B7R1.24 C1CNCCSC1 SYX00228 [0,1,0,1,0,0|1,0,1]=4