0 B4R0.2 C#CCON SYX00221 [0,0,0,0,0,0|3,0,1]=4 1 B4R0.2 C=CCCN CDS021978 [0,0,0,0,0,0|2,0,1]=3 2 B4R0.2 CCCC[NH3+] S342920 [0,0,0,0,0,0|2,0,0]=2 3 B4R0.2 CC[PbH2]CC S818542 [0,0,0,0,0,0|3,0,0]=3 4 B4R0.2 CNCC#N CDS000167 [0,0,0,0,0,0|3,0,1]=4 5 B4R0.2 CNCC#N S570885 [0,0,0,0,0,0|3,0,1]=4 6 B4R0.2 N#CCCI PH007185 [0,0,0,0,0,0|2,0,1]=3 7 B4R0.2 N#CCCN CDS007521 [0,0,0,0,0,0|2,0,1]=3 8 B4R0.2 N#CCCS OTV000794 [0,0,0,0,0,0|1,0,1]=2 9 B4R0.2 NCCCF CDS007794 [0,0,0,0,0,0|2,0,0]=2 10 B4R0.2 OC/C=C/Br S880973 [0,0,0,0,0,0|1,1,2]=4 11 B4R0.2 OCCCF CDS002969 [0,0,0,0,0,0|1,1,0]=2 12 B4R0.2 OCNCCl R464872 [0,0,0,0,0,0|2,1,0]=3 13 B4R0.2 SCCCN OTV000791 [0,0,0,0,0,0|1,0,0]=1 14 B3R0.1 C=CCN CDS000416 [1,0,0,0,0,0|1,0,2]=4 15 B3R0.1 CCCC S124796 [1,0,0,0,0,0|1,0,0]=2 16 B3R0.1 CCNC CDS013740 [1,0,0,0,0,0|2,0,0]=3 17 B3R0.1 CC[Hg]Cl S659541 [1,0,0,0,0,0|2,0,0]=3 18 B3R0.1 N#CCN R288616 [1,0,0,0,0,0|2,0,1]=4 19 B3R0.1 NCCN S573019 [1,0,0,0,0,0|2,0,0]=3 20 B3R0.1 [O-]CC[O-] R647071 [1,0,0,0,0,0|0,2,0]=3 21 B5R0.1 C(=O)CC(C)O CDS019977 [0,1,0,0,0,0|0,2,1]=4 22 B5R0.1 CC(=O)CCN OTV000740 [0,1,0,0,0,0|1,1,1]=4 23 B5R0.1 CC(Br)CC#N CDS003547 [0,1,0,0,0,0|2,0,1]=4 24 B5R0.1 CC(C)CCCl S564524 [0,1,0,0,0,0|2,0,0]=3 25 B5R0.1 CC(O)CNN CBR01627 [0,1,0,0,0,0|2,1,0]=4 26 B5R0.1 CN(C)CCBr PH011840 [0,1,0,0,0,0|3,0,0]=4 27 B5R0.1 CN(C)CCO S573124 [0,1,0,0,0,0|2,1,0]=4 28 B5R0.1 CNCC(C)C CDS000422 [0,1,0,0,0,0|3,0,0]=4 29 B5R0.1 COC[C@@H](C)N CDS023796 [0,1,0,0,0,0|3,0,0]=4 30 B5R0.1 COC[C@H](C)N CDS001149 [0,1,0,0,0,0|3,0,0]=4 31 B5R0.1 N=C(N)CCO PH014361 [0,1,0,0,0,0|1,1,1]=4 32 B5R0.1 NCCC(=O)N CDS000027 [0,1,0,0,0,0|1,1,1]=4 33 B5R0.2 C#CCSCC R436380 [0,1,0,0,0,0|2,0,1]=4 34 B5R0.2 C(=O)CCC=C CDS000721 [0,1,0,0,0,0|1,1,1]=4 35 B5R0.2 C=C=CCCI T230871 [0,1,0,0,0,0|2,0,1]=4 36 B5R0.2 C=CCNCC PH014544 [0,1,0,0,0,0|2,0,1]=4 37 B5R0.2 C=CCSCC S620327 [0,1,0,0,0,0|2,0,1]=4 38 B5R0.2 C=CSCCO PH007226 [0,1,0,0,0,0|1,1,1]=4 39 B5R0.2 CCC/C=N/O S429139 [0,1,0,0,0,0|1,1,1]=4 40 B5R0.2 CCCCSC S447420 [0,1,0,0,0,0|1,0,0]=2 41 B5R0.2 CCCC[Hg]Cl S829617 [0,1,0,0,0,0|2,0,0]=3 42 B5R0.2 CCCNCC CDS000615 [0,1,0,0,0,0|2,0,0]=3 43 B5R0.2 CCCOCC CDS000380 [0,1,0,0,0,0|2,0,0]=3 44 B5R0.2 CCNNCC S814563 [0,1,0,0,0,0|3,0,0]=4 45 B5R0.2 CCOCCN CDS000379 [0,1,0,0,0,0|2,0,0]=3 46 B5R0.2 CCSCCO PH011451 [0,1,0,0,0,0|1,1,0]=3 47 B5R0.2 CNCCCBr PH013730 [0,1,0,0,0,0|2,0,0]=3 48 B5R0.2 COCCSC S698245 [0,1,0,0,0,0|2,0,0]=3 49 B5R0.2 CSCCC#N T160407 [0,1,0,0,0,0|1,0,1]=3 50 B5R0.2 OC/C=C/CO PH000110 [0,1,0,0,0,0|0,2,1]=4 51 B5R0.2 OCCC#CI T240249 [0,1,0,0,0,0|1,1,1]=4 52 B5R0.3 C(=O)C(S)CO S612626 [0,1,0,0,0,0|0,2,1]=4 53 B5R0.3 C/C(=N\O)/CS R262161 [0,1,0,0,0,0|1,1,1]=4 54 B5R0.3 C=CC(O)CBr TMT00686 [0,1,0,0,0,0|2,0,1]=4 55 B5R0.3 CC(CN)CO CDS010871 [0,1,0,0,0,0|1,1,0]=3 56 B5R0.3 CCC(=O)CO R277614 [0,1,0,0,0,0|1,1,1]=4 57 B5R0.3 CCC(C)NN PH019109 [0,1,0,0,0,0|3,0,0]=4 58 B5R0.3 CCC(N)CC TMT00064 [0,1,0,0,0,0|2,0,0]=3 59 B5R0.3 CCC(O)CBr PH018186 [0,1,0,0,0,0|2,0,0]=3 60 B5R0.3 CCC(O)CN CDS000624 [0,1,0,0,0,0|2,0,0]=3 61 B5R0.3 CCN(O)CC S623067 [0,1,0,0,0,0|3,0,0]=4 62 B5R0.3 CC[Tl](Br)CC S837075 [0,1,0,0,0,0|3,0,0]=4 63 B5R0.3 CC[Tl](I)CC S837083 [0,1,0,0,0,0|3,0,0]=4 64 B5R0.3 N#CC(Cl)CCl PH011445 [0,1,0,0,0,0|2,0,1]=4 65 B5R0.3 NC(CBr)CBr R150371 [0,1,0,0,0,0|2,0,0]=3 66 B5R0.3 NCC(Br)CBr R151203 [0,1,0,0,0,0|2,0,0]=3 67 B5R0.3 NCC(CN)N S741841 [0,1,0,0,0,0|2,0,0]=3 68 B5R0.3 OC(CF)CBr CDS019708 [0,1,0,0,0,0|2,0,0]=3 69 B5R1.1 C1=CCNC1 ANV00248 [0,0,0,1,0,0|3,0,0]=4 70 B5R1.1 C1=NNCC1 CDS000117 [0,0,0,1,0,0|2,0,1]=4 71 B5R1.3 CNC1CC1 CDS021441 [0,0,0,1,0,0|3,0,0]=4 72 B5R1.4 CC1CC1N CDS012259 [0,0,0,1,0,0|2,0,0]=3 73 B4R0.1 C#CC(C)N CDS010388 [1,1,0,0,0,0|1,0,1]=4 74 B4R0.1 C=C(C)CN CDS003053 [1,1,0,0,0,0|1,0,1]=4 75 B4R0.1 CC(=O)CN CDS020585 [1,1,0,0,0,0|1,0,1]=4 76 B4R0.1 CC(C)NN CDS002505 [1,1,0,0,0,0|2,0,0]=4 77 B4R0.1 CC(C)NN CDS002842 [1,1,0,0,0,0|2,0,0]=4 78 B4R0.1 CCB(O)O CDS003542 [1,1,0,0,0,0|1,1,0]=4 79 B4R0.1 CCC(=N)N CBR01339 [1,1,0,0,0,0|1,0,1]=4 80 B4R0.1 CCC(=O)[O-] CDS000543 [1,1,0,0,0,0|0,1,1]=4 81 B4R0.1 CCC(=S)N CDS000328 [1,1,0,0,0,0|0,0,2]=4 82 B4R0.1 NCC(F)F CDS002768 [1,1,0,0,0,0|2,0,0]=4 83 B4R0.1 O=C(O)CS CDS000504 [1,1,0,0,0,0|0,1,1]=4 84 B6R0.1 C=C(CO)CCO T293814 [0,2,0,0,0,0|0,2,0]=4 85 B6R0.1 CC(CO)CCN CDS000171 [0,2,0,0,0,0|1,1,0]=4 86 B6R0.1 CCC(=O)OCS PH000959 [0,2,0,0,0,0|1,0,1]=4 87 B6R0.1 CCC(C)CCN CBR00385 [0,2,0,0,0,0|2,0,0]=4 88 B6R0.1 CCCC(C)NC PH018184 [0,2,0,0,0,0|2,0,0]=4 89 B6R0.1 CCCC(N)CC CBR01120 [0,2,0,0,0,0|2,0,0]=4 90 B6R0.1 CCNC(C)CC CBR00870 [0,2,0,0,0,0|2,0,0]=4 91 B6R0.1 CC[C@@H](N)CC#N CDS005516 [0,2,0,0,0,0|2,0,0]=4 92 B6R0.1 CC[C@H](N)COC PH019017 [0,2,0,0,0,0|1,1,0]=4 93 B6R0.1 CNC(C)CCO CBR02003 [0,2,0,0,0,0|1,1,0]=4 94 B6R0.1 COCC(O)CCl S615455 [0,2,0,0,0,0|1,1,0]=4 95 B6R0.1 COCC(O)CN CDS009718 [0,2,0,0,0,0|1,1,0]=4 96 B6R0.1 C[C@@H](CO)CCN CDS000036 [0,2,0,0,0,0|1,1,0]=4 97 B6R0.3 CC(CS)C(=O)O CDS000283 [0,2,0,0,0,0|0,1,1]=4 98 B6R0.3 CC(N)C(C)CO PH007413 [0,2,0,0,0,0|1,1,0]=4 99 B6R0.3 CC(O)C(C)CO S309524 [0,2,0,0,0,0|0,2,0]=4 100 B6R0.4 C=C(Br)CCCO T297658 [0,2,0,0,0,0|1,1,0]=4 101 B6R0.4 C=CCCC(C)C R289442 [0,2,0,0,0,0|2,0,0]=4 102 B6R0.4 CC(=O)OCCS S363049 [0,2,0,0,0,0|0,1,1]=4 103 B6R0.4 CC(C)OCCN CDS000373 [0,2,0,0,0,0|2,0,0]=4 104 B6R0.4 CCCCC(=N)N PH017352 [0,2,0,0,0,0|2,0,0]=4 105 B6R0.4 CCCCC(=S)N PH000512 [0,2,0,0,0,0|1,0,1]=4 106 B6R0.4 CCCSC(C)C S570702 [0,2,0,0,0,0|2,0,0]=4 107 B6R0.4 CSCCC(=O)Cl CDS000414 [0,2,0,0,0,0|0,1,1]=4 108 B6R0.4 CSCCC(C)C S351520 [0,2,0,0,0,0|1,0,0]=3 109 B6R0.4 NC(=O)CCCCl OTV000845 [0,2,0,0,0,0|1,1,0]=4 110 B6R0.4 NCCNC(=S)S S357634 [0,2,0,0,0,0|1,0,1]=4 111 B6R0.4 O=C(O)CCCS CDS004545 [0,2,0,0,0,0|0,1,0]=3 112 B6R0.4 [C-]#[N+]CCC(C)C CDS008921 [0,2,0,0,0,0|2,0,0]=4 113 B6R0.5 CC(C)(C)CCCl S416630 [0,2,0,0,0,0|2,0,0]=4 114 B6R0.5 CC(C)(Cl)CCCl S434116 [0,2,0,0,0,0|2,0,0]=4 115 B6R0.5 CC(C)(F)CCO PH018175 [0,2,0,0,0,0|1,1,0]=4 116 B6R0.5 CC(C)(O)CCCl CDS019086 [0,2,0,0,0,0|1,1,0]=4 117 B6R0.5 CC(C)(O)CCN CDS019270 [0,2,0,0,0,0|1,1,0]=4 118 B6R0.5 FC(F)(F)CCCl CDS003033 [0,2,0,0,0,0|2,0,0]=4 119 B6R0.5 NCCC(F)(F)F CDS002538 [0,2,0,0,0,0|2,0,0]=4 120 B6R0.5 NCCC(F)(F)F CDS011723 [0,2,0,0,0,0|2,0,0]=4 121 B6R0.5 OCCC(F)(F)F CDS014243 [0,2,0,0,0,0|1,1,0]=4 122 B6R0.6 C=C=CCCCO CVT00100 [0,2,0,0,0,0|1,1,0]=4 123 B6R0.6 C=CCSCCC S357391 [0,2,0,0,0,0|2,0,0]=4 124 B6R0.6 CCCCCSC S357952 [0,2,0,0,0,0|1,0,0]=3 125 B6R0.6 CCCCNC=O S550981 [0,2,0,0,0,0|1,1,0]=4 126 B6R0.6 CCCCSC#N S449814 [0,2,0,0,0,0|1,0,0]=3 127 B6R0.6 CCCNCCC R580155 [0,2,0,0,0,0|2,0,0]=4 128 B6R0.6 CCCOCC#N PH011429 [0,2,0,0,0,0|2,0,0]=4 129 B6R0.6 CCCSCCO S408859 [0,2,0,0,0,0|1,1,0]=4 130 B6R0.6 CCOCC[Hg]Cl S564443 [0,2,0,0,0,0|2,0,0]=4 131 B6R0.6 CCSCCCO PH017932 [0,2,0,0,0,0|0,1,0]=3 132 B6R0.6 COCCCC=O CDS022820 [0,2,0,0,0,0|0,2,0]=4 133 B6R0.6 FCCCCCBr CBR02103 [0,2,0,0,0,0|2,0,0]=4 134 B6R0.6 NCCOCCN CDS000024 [0,2,0,0,0,0|2,0,0]=4 135 B6R0.6 NCCSCCO S449539 [0,2,0,0,0,0|1,1,0]=4 136 B6R0.6 [C-]#[N+]CCCOC PH015420 [0,2,0,0,0,0|1,1,0]=4 137 B6R0.8 CC(Cl)(CCl)CCl S392057 [0,2,0,0,0,0|2,0,0]=4 138 B6R0.8 ClCC(Cl)(Br)CBr S373303 [0,2,0,0,0,0|2,0,0]=4 139 B6R0.8 ClCC(Cl)(Cl)CCl PH011447 [0,2,0,0,0,0|2,0,0]=4 140 B6R0.9 CCC(CC)CN CDS014133 [0,2,0,0,0,0|2,0,0]=4 141 B6R0.9 CCC(CC)NC CBR01265 [0,2,0,0,0,0|2,0,0]=4 142 B6R0.9 CCC(CN)OC CBR00912 [0,2,0,0,0,0|2,0,0]=4 143 B6R0.9 CCC(CN)OC CDS002072 [0,2,0,0,0,0|2,0,0]=4 144 B6R1.2 CC1CCNC1 CDS003772 [0,1,0,1,0,0|2,0,0]=4 145 B6R1.2 CC1NCCS1 CDS001533 [0,1,0,1,0,0|1,0,0]=3 146 B6R1.2 CC1SCCS1 CDS001515 [0,1,0,1,0,0|1,0,0]=3 147 B6R1.2 C[C@@H]1CCNC1 CDS006861 [0,1,0,1,0,0|2,0,0]=4 148 B6R1.2 C[C@H]1CCNC1 CDS009158 [0,1,0,1,0,0|2,0,0]=4 149 B6R1.2 Cl[Sb]1SCCS1 S741698 [0,1,0,1,0,0|2,0,0]=4 150 B6R1.2 O=C1NCCS1 CDS011623 [0,1,0,1,0,0|0,1,1]=4 151 B6R1.2 OC1CCCO1 CDS007077 [0,1,0,1,0,0|0,2,0]=4 152 B6R1.2 OC1CNOC1 CBR01544 [0,1,0,1,0,0|1,1,0]=4 153 B6R1.2 O[C@H]1CCNC1 CDS003495 [0,1,0,1,0,0|1,1,0]=4 154 B6R1.3 CNCC1CC1 CBR00064 [0,1,0,1,0,0|2,0,0]=4 155 B6R1.3 NCCC1CC1 CDS004252 [0,1,0,1,0,0|2,0,0]=4 156 B6R1.5 NC1CC(C1)O CDS022886 [0,1,0,1,0,0|1,1,0]=4 157 B6R1.8 CC1OC1CO PH008155 [0,1,0,1,0,0|0,2,0]=4 158 B6R1.8 CCC1CC1N CDS012189 [0,1,0,1,0,0|2,0,0]=4 159 B6R1.9 CC1CC1(C)C R289639 [0,1,0,1,0,0|2,0,0]=4 160 B6R1.9 NC1CC1(F)F CDS001959 [0,1,0,1,0,0|2,0,0]=4 161 B6R1.11 CC(C)C1CC1 R289612 [0,1,0,1,0,0|2,0,0]=4 162 B6R1.11 CC(N)C1CC1 CDS018130 [0,1,0,1,0,0|2,0,0]=4 163 B6R1.11 C[C@@H](N)C1CC1 CDS000831 [0,1,0,1,0,0|2,0,0]=4 164 B6R1.1 C1COCCN1 S503576 [0,1,0,1,0,0|1,1,0]=4 165 B6R1.1 C1COCCN1 S579327 [0,1,0,1,0,0|1,1,0]=4 166 B6R1.1 C1COCCN1 S683396 [0,1,0,1,0,0|1,1,0]=4 167 B6R1.4 CC1CCC1=O CDS021461 [0,1,0,1,0,0|1,1,0]=4 168 B6R1.6 BrCC1COC1 CDS024465 [0,1,0,1,0,0|1,1,0]=4 169 B6R1.6 ICC1COC1 CDS024395 [0,1,0,1,0,0|1,1,0]=4 170 B6R1.6 N#CC1CCC1 CDS014291 [0,1,0,1,0,0|2,0,0]=4 171 B6R1.6 NCC1CCC1 CDS009558 [0,1,0,1,0,0|2,0,0]=4 172 B6R1.7 NCC1(CC1)O CDS009576 [0,1,0,1,0,0|2,0,0]=4