0 B4R0.2 C=CCCN CDS021978 [0,0,0,0,0,0|3,0,1]=4 1 B4R0.2 CCCC[NH3+] S342920 [0,0,0,0,0,0|2,0,1]=3 2 B4R0.2 CC[PbH2]CC S818542 [0,0,0,0,0,0|2,0,1]=3 3 B4R0.2 CNCC#N CDS000167 [0,0,0,0,0,0|3,0,1]=4 4 B4R0.2 CNCC#N S570885 [0,0,0,0,0,0|3,0,1]=4 5 B4R0.2 CS[PbH2]SC S549991 [0,0,0,0,0,0|4,0,0]=4 6 B4R0.2 N#CCCI PH007185 [0,0,0,0,0,0|3,0,1]=4 7 B4R0.2 N#CCCN CDS007521 [0,0,0,0,0,0|3,0,1]=4 8 B4R0.2 N#CCCS OTV000794 [0,0,0,0,0,0|3,0,1]=4 9 B4R0.2 NCCCF CDS007794 [0,0,0,0,0,0|3,0,1]=4 10 B4R0.2 OC/C=C/Br S880973 [0,0,0,0,0,0|3,0,1]=4 11 B4R0.2 OCCCF CDS002969 [0,0,0,0,0,0|2,1,1]=4 12 B4R0.2 OCNCCl R464872 [0,0,0,0,0,0|1,1,2]=4 13 B4R0.2 SCCCN OTV000791 [0,0,0,0,0,0|2,0,2]=4 14 B3R0.1 C=CCN CDS000416 [1,0,0,0,0,0|2,0,1]=4 15 B3R0.1 CCCC S124796 [1,0,0,0,0,0|1,0,1]=3 16 B3R0.1 CCNC CDS013740 [1,0,0,0,0,0|0,0,2]=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|2,0,1]=4 20 B3R0.1 [O-]CC[O-] R647071 [1,0,0,0,0,0|1,1,1]=4 21 B5R0.1 C(=O)CC(C)O CDS019977 [0,1,0,0,0,0|1,1,1]=4 22 B5R0.1 C(=O)NC(C)C S378380 [0,1,0,0,0,0|0,1,2]=4 23 B5R0.1 CC(Br)CC#N CDS003547 [0,1,0,0,0,0|2,0,1]=4 24 B5R0.1 CC(C)C=NO S388378 [0,1,0,0,0,0|2,1,0]=4 25 B5R0.1 CC(C)CCCl S564524 [0,1,0,0,0,0|2,0,1]=4 26 B5R0.1 CC(O)CNN CBR01627 [0,1,0,0,0,0|3,0,0]=4 27 B5R0.1 CCNC(=N)N PH018983 [0,1,0,0,0,0|1,0,2]=4 28 B5R0.1 CCOC(=S)N PH003667 [0,1,0,0,0,0|1,0,1]=3 29 B5R0.1 CCOC(=S)[S-] R464988 [0,1,0,0,0,0|1,0,1]=3 30 B5R0.1 CCOC(=S)[S-] R533475 [0,1,0,0,0,0|1,0,1]=3 31 B5R0.1 CNCC(C)C CDS000422 [0,1,0,0,0,0|3,0,0]=4 32 B5R0.1 COC[C@@H](C)N CDS023796 [0,1,0,0,0,0|3,0,0]=4 33 B5R0.1 COC[C@H](C)N CDS001149 [0,1,0,0,0,0|3,0,0]=4 34 B5R0.2 C#CCSCC R436380 [0,1,0,0,0,0|2,0,1]=4 35 B5R0.2 C=C=CCCI T230871 [0,1,0,0,0,0|2,0,0]=3 36 B5R0.2 C=CCNCC PH014544 [0,1,0,0,0,0|1,0,2]=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|2,0,1]=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|1,0,2]=4 41 B5R0.2 CCCC[Hg]Cl S829617 [0,1,0,0,0,0|2,0,1]=4 42 B5R0.2 CCCNCC CDS000615 [0,1,0,0,0,0|1,0,2]=4 43 B5R0.2 CCCOCC CDS000380 [0,1,0,0,0,0|2,0,1]=4 44 B5R0.2 CCNNCC S814563 [0,1,0,0,0,0|1,0,2]=4 45 B5R0.2 CCOCCN CDS000379 [0,1,0,0,0,0|2,0,1]=4 46 B5R0.2 CCSCCO PH011451 [0,1,0,0,0,0|1,1,1]=4 47 B5R0.2 CNCCCBr PH013730 [0,1,0,0,0,0|2,0,1]=4 48 B5R0.2 COCCSC S698245 [0,1,0,0,0,0|3,0,0]=4 49 B5R0.2 CSCCC#N T160407 [0,1,0,0,0,0|2,0,1]=4 50 B5R0.2 OCCC#CI T240249 [0,1,0,0,0,0|2,0,1]=4 51 B5R0.3 CCC(=O)CO R277614 [0,1,0,0,0,0|1,1,1]=4 52 B5R0.3 CCC(C)NN PH019109 [0,1,0,0,0,0|3,0,0]=4 53 B5R0.3 CCC(N)CC TMT00064 [0,1,0,0,0,0|2,0,1]=4 54 B5R0.3 CCC(O)CBr PH018186 [0,1,0,0,0,0|2,0,1]=4 55 B5R0.3 CCC(O)CN CDS000624 [0,1,0,0,0,0|2,0,1]=4 56 B5R0.3 CCN(O)CC S623067 [0,1,0,0,0,0|1,0,2]=4 57 B5R0.3 CC[Tl](Br)CC S837075 [0,1,0,0,0,0|2,0,1]=4 58 B5R0.3 CC[Tl](I)CC S837083 [0,1,0,0,0,0|2,0,1]=4 59 B5R1.1 C1=NNCC1 CDS000117 [0,0,0,1,0,0|2,0,1]=4 60 B5R1.3 CNC1CC1 CDS021441 [0,0,0,1,0,0|3,0,0]=4 61 B5R1.4 CC1CC1N CDS012259 [0,0,0,1,0,0|2,0,1]=4 62 B4R0.1 C#CC(C)N CDS010388 [1,1,0,0,0,0|1,0,1]=4 63 B4R0.1 CC(C)NN CDS002505 [1,1,0,0,0,0|1,0,1]=4 64 B4R0.1 CC(C)NN CDS002842 [1,1,0,0,0,0|1,0,1]=4 65 B4R0.1 CCB(O)O CDS003542 [1,1,0,0,0,0|1,1,0]=4 66 B4R0.1 CCC(=N)N CBR01339 [1,1,0,0,0,0|1,0,1]=4 67 B4R0.1 CCC(=O)[O-] CDS000543 [1,1,0,0,0,0|0,1,1]=4 68 B4R0.1 CCC(=S)N CDS000328 [1,1,0,0,0,0|0,0,1]=3 69 B6R0.1 CCOC(=S)S[TlH2] S828327 [0,2,0,0,0,0|1,0,1]=4 70 B6R0.2 CC(C)OC(=S)N PH008713 [0,2,0,0,0,0|1,0,1]=4 71 B6R0.4 C=C(Cl)CN=C=S SYX00300 [0,2,0,0,0,0|0,0,1]=3 72 B6R0.4 CC(C)CN=C=S CDS001467 [0,2,0,0,0,0|0,0,0]=2 73 B6R0.4 CCCCC(=S)N PH000512 [0,2,0,0,0,0|1,0,1]=4 74 B6R0.4 NCCNC(=S)S S357634 [0,2,0,0,0,0|0,0,2]=4 75 B6R0.6 C=C=CCCCO CVT00100 [0,2,0,0,0,0|2,0,0]=4 76 B6R0.6 CCO/C=N\C#N ANV00247 [0,2,0,0,0,0|1,0,1]=4 77 B6R0.6 COCCN=C=O CBR02010 [0,2,0,0,0,0|0,1,0]=3 78 B6R1.11 NC(=S)C1CC1 PH011536 [0,1,0,1,0,0|1,0,1]=4