Name	Formula	Alpha formula	Edge	Filename (right click to 'save   target as')	Citation
1,1 Difluoroethene	CF2CH2	C2F2H2	C 1s	ff-0cckk.os	RI&88
1,1 Difluoroethene	CF2CH2	C2F2H2	F 1s	ff-0ffkk.os	RI&88
1,1,1-trifluoro-ethane	CF3CH3	C2F3H3	C 1s	ef-0cckk.os	RI&88,H90
1,1,1-trifluoro-ethane	CF3CH3	C2F3H3	F 1s	ef-0ffkk.os	RI&88,H90
1,1,1-Trifluoropropyne	CF3CCH	C3F3H	C 1s	yf-0cckk.os	HS90
1,1,1-Trifluoropropyne	CF3CCH	C3F3H	F 1s	yf-0ffkk.os	HS90
1,2 cyclohexanedione	para-O=C6H8=O	C6H8O2	C 1s	ka-0cckk.os	FH94
1,2 cyclohexanedione	para-O=C6H8=O	C6H8O2	O 1s	ka-0ookk.os	FH94
1,2,3,4 tetrahydro-1-naphthyl-amine	C10H12N	C10H12N	C 1s	vg-0cckk.os
1,2,3,4 tetrahydro-1-naphthyl-amine	C10H12N	C10H12N	N 1s	vg-0nnkk.os
1,2-Benzanthracene	C18H12	C18H12	C1s	kx-0cckk.os
1,2-dichloroethane	CH2Cl-CH2Cl	C2Cl2H4	C 1s	ce-0cckk.os	H92a
1,2-dichloroethane	CH2Cl-CH2Cl	C2Cl2H4	Cl 2p	ce-0cll3.os	H92a
1,2-propanediol	C3H8O2	C3H8O2	C 1s	pk-0cckk.os	EUH98
1,2-propanediol	C3H8O2	C3H8O2	O 1s	pk-0ookk.os	EUH98
1,3- Hexafluorobutadiene	CF2CF=CFCF2	C4F6	C 1s	fb-0cckk.os	RI&88
1,3- Hexafluorobutadiene	CF2CF=CFCF2	C4F6	F 1s	fb-0ffkk.os	RI&88
1,3,5,2,4-benzotrithiadiazepine	C6H4S3N2	C6H4N2S3	C 1s	bv-0cckk.os	HD&91
1,3,5,2,4-benzotrithiadiazepine	C6H4S3N2	C6H4N2S3	N 1s	bv-0nnkk.os	HD&91
1,3,5,2,4-benzotrithiadiazepine	C6H4S3N2	C6H4N2S3	S 2p,2s	bv-0sskk.os	HD&91
1,3-cyclohexadiene	c-C6H8	C6H8	C 1s	hc-0cckk.os	H91
1,3-cyclohexanedione	c-C6H8O2	C6H8O2	C 1s	kb-0cckk.os	FH94
1,3-cyclohexanedione	c-C6H8O2	C6H8O2	O 1s	kb-0ookk.os	FH94
1,4 cyclohexanedione	C6H8O2	C6H8O2	C 1s	kc-0cckk.os	FH94
1,4 cyclohexanedione	C6H8O2	C6H8O2	O 1s	kc-0ookk.os	FH94
1,4-cyclohexadiene	c-C6H8	C6H8	C 1s	hd-0cckk.os	H91
1,6-heptadiyne	HC:::C(CH2)3C:::CH	C7H8	C 1s	hz-0cckk.os	HS90
1-azido adamantane	N3-C915	C9H15N3	C 1s	uu-0cckk.os
1-azido adamantane	N3-C915	C9H15N3	N 1s	uu-0nnkk.os
1-Trimethyl silyl-1,4-pentadyne	HCCCH2CCSi(CH3)3	C8H12Si	C 1s	tp-0cckk.os	HS90
1-Trimethyl silyl-1,4-pentadyne	HCCCH2CCSi(CH3)3	C8H12Si	Si 2p,2s	tp-0sill.os	HS90
2,1,3-benzotrithiadiazole	C6H4SN2	C6H4N2S	C 1s	bw-0cckk.os	HD&91
2,1,3-benzotrithiadiazole	C6H4SN2	C6H4N2S	N 1s	bw-0nnkk.os	HD&91
2,1,3-benzotrithiadiazole	C6H4SN2	C6H4N2S	S 2p,2s	bw-0sskk.os	HD&91
2,2Dimethylpropane	C(CH3)4	C5H12	C 1s	dm-0cckk.os	HI87
2,4,6-triphenoxy-1,3,5-triazine	(Ph-O)3-C3N3	C21H15N3O3	C 1s	in-0cckk.os	UHR92
2,4,6-triphenoxy-1,3,5-triazine	(Ph-O)3-C3N3	C21H15N3O3	N 1s	in-0nnkk.os	UHR92
2,4,6-triphenoxy-1,3,5-triazine	(Ph-O)3-C3N3	C21H15N3O3	O 1s	in-0ookk.os	UHR92
2,4-hexadyne	C6H6	C6H6	C 1s	hv-0cckk.os	HS90
2-Butyne	CH3C:::CCH3	C4H6	C 1s	by-0cckk.os	RI&88
2-cyclohexen-1-one	C6H8O	C6H80	C1s	kf-0cckk.os
2-cyclohexen-1-one	C6H8O	C6H80	O1s	kf-0ookk.os
3-Bu-thiophene	C4H9-C4H4S	C8H13S	C 1s	sb-0cckk.os	HT&90
3-Bu-thiophene	C4H9-C4H4S	C8H13S	S 2p	sb-0ssl3.os	HT&90
3-decyl-thiophene	C10H21-C4H4S	C14H25S	C 1s	sd-0cckk.os	HT&90
3-Et-thiophene	C2H5-C4H4S	C6H9S	C 1s	st-0cckk.os	HT&90
3-Et-thiophene	C2H5-C4H4S	C6H9S	S 2p	st-0ssl3.os	HT&90
3-Hx-thiophene	C6H13-C4H4S	C10H17S	C 1s	sh-0cckk.os	HT&90
3-Hx-thiophene	C6H13-C4H4S	C10H17S	S 2p	sh-0ssl3.os	HT&90
3-Me-selenophene	CH3-C4H4Se	C5H7Se	C 1s	sm-0cckk.os	HTB89
3-octyl-thiophene	C8H17-C4H4S	C12H21S	C 1s	sx-0cckk.os	HT&89
3-octyl-thiophene	C8H17-C4H4S	C12H21S	S 2p	sx-0ssl3.os	HT&89
4-HEXEN-3-ONE	C2H5(CO)C2H2(ME)	C6H10O	C1s	ke-0cckk.os
4-HEXEN-3-ONE	C2H5(CO)C2H2(ME)	C6H10O	O1s	ke-0ookk.os