C8H	1,3,5,7-Octatetraynyl	H 1-2 C 2#3 C 3-4 C 4#5 C 5-6 C 6#7 C 7-8 C 8#9 C	InChI=1S/C8H/c1-3-5-7-8-6-4-2/h1H	GTEOCQSGHJLKQX-UHFFFAOYSA-N	97
C8H-	1,3,5,7-Octatetraynyl anion	H 1-2 C 2#3 C 3-4 C 4#5 C 5-6 C 6#7 C 7-8 C 8#9 C-	InChI=1S/C8H/c1-3-5-7-8-6-4-2/h1H/q-1	JPYHXIJMECKQLV-UHFFFAOYSA-N	97
C6H	1,3,5-Hexatriynyl	H 1-2 C 2#3 C 3-4 C 4#5 C 5-6 C 6-7 C	InChI=1S/C6H/c1-3-5-6-4-2/h1H	MGBKUZLTRVWILP-UHFFFAOYSA-N	73
C6H–	1,3,5-Hexatriynyl anion	H 1-2 C 2#3 C 3-4 C 4#5 C 5-6 C 6#7 C-	InChI=1S/C6H/c1-3-5-6-4-2/h1H/q-1	OOJJGCKLCPCQKV-UHFFFAOYSA-N	73
C4H-	1,3-Butadiynyl anion	H 1-2 C 2#3 C 3-4 C 4#5 C 5-6 C 6#7 C-	InChI=1S/C6H/c1-3-5-6-4-2/h1H/q-1	OOJJGCKLCPCQKV-UHFFFAOYSA-N	73
13CCCCH	1,3-Butadiynyl radical	13C 1#2 C 2-3 C 3#4 C 4-5 H	InChI=1S/C4H/c1-3-4-2/h1H/i2+1	GRADOOOISCPIDG-VQEHIDDOSA-N	50
C13CCCH	1,3-Butadiynyl radical	C 1#2 13C 2-3 C 3#4 C 4-5 H	InChI=1S/C4H/c1-3-4-2/h1H/i4+1	GRADOOOISCPIDG-AZXPZELESA-N	50
C4D	1,3-Butadiynyl radical	C 1#2 C 2-3 C 3#4 C 4-5 D	InChI=1S/C4H/c1-3-4-2/h1H/i1D	GRADOOOISCPIDG-MICDWDOJSA-N	50
C4Hv7=1	1,3-Butadiynyl radical	C 1#2 C 2-3 C 3#4 C 4-5 H	InChI=1S/C4H/c1-3-4-2/h1H	GRADOOOISCPIDG-UHFFFAOYSA-N	49
C4Hv7=20	1,3-Butadiynyl radical	C 1#2 C 2-3 C 3#4 C 4-5 H	InChI=1S/C4H/c1-3-4-2/h1H	GRADOOOISCPIDG-UHFFFAOYSA-N	49
C4Hv=0	1,3-Butadiynyl radical	C 1#2 C 2-3 C 3#4 C 4-5 H	InChI=1S/C4H/c1-3-4-2/h1H	GRADOOOISCPIDG-UHFFFAOYSA-N	49
CC13CCH	1,3-Butadiynyl radical	C 1#2 C 2-3 13C 3#4 C 4-5 H	InChI=1S/C4H/c1-3-4-2/h1H/i3+1	GRADOOOISCPIDG-LBPDFUHNSA-N	50
CCC13CH	1,3-Butadiynyl radical	C 1#2 C 2-3 C 3#4 13C 4-5 H	InChI=1S/C4H/c1-3-4-2/h1H/i1+1	GRADOOOISCPIDG-OUBTZVSYSA-N	50
HC11N	2,4,6,8,10-Undecapentaynenitrile	H 1-2 C 2#3 C 3-4 C 4#5 C 5-6 C 6#7 C 7-8 C 8#9 C 9-10 C 10#11 C 11-12 C 12#13 N	InChI=1S/C11HN/c1-2-3-4-5-6-7-8-9-10-11-12/h1H	VSPOLSIHZRDJDD-UHFFFAOYSA-N	147
HC9N	2,4,6,8-Nonatetraynenitrile	H 1-2 C 2#3 C 3-4 C 4#5 C 5-6 C 6#7 C 7-8 C 8#9 C 9-10 C 10#11 N	InChI=1S/C9HN/c1-2-3-4-5-6-7-8-9-10/h1H	XBYCNIKNUFWLQZ-UHFFFAOYSA-N	123
HC7Nv=0	2,4,6-Heptatriynenitrile	H 1-2 C 2#3 C 3-4 C 4#5 C 5-6 C 6#7 C 7-8 C 8#9 N	InChI=1S/C7HN/c1-2-3-4-5-6-7-8/h1H	XRJCSTPFBZTAPK-UHFFFAOYSA-N	99
C7H	2,4,6-Heptatriynylidyne	H 1-2 C 2#3 C 3-4 C 4#5 C 5-6 C 6#7 C 7-8 C	InChI=1S/C7H/c1-3-5-7-6-4-2/h1H	GBSBUWYWLDNSHO-UHFFFAOYSA-N	85
l-C5H	2,4-Pentadiynylidyne	H 1-2 C 2#3 C 3-4 C 4#5 C 5-6 C	InChI=1S/C5H/c1-3-5-4-2/h1H	FKHSYQQNHVRJIA-UHFFFAOYSA-N	61
CH3C3N	2-Butynenitrile	H 1-4 H 2-4 H 3-4 C 4-5 C 5#6 C 6-7 C 7#8 N	InChI=1S/C4H3N/c1-2-3-4-5/h1H3	WNXDCVVDPKHWMW-UHFFFAOYSA-N	65
HCCCHO	2-Propynal	O 1=3 H 2-3 C 3-4 C 4#5 C 5-6 H	InChI=1S/C3H2O/c1-2-3-4/h1,3H	IJNJLGFTSIAHEA-UHFFFAOYSA-N	54
l-HC4N	3-Cyano-1,2-propadienylidene	H 1-2 C 2=3 C 3=4 C 4-5 C 5#6 N	InChI=1S/C4HN/c1-2-3-4-5/h1H	ODQBXVVTGHKNBU-UHFFFAOYSA-N	63
HNCCC	3-Imino-1,2 Propadienylidene	H 1-2 N 2=3 C 3=4 C 4=5 C	InChI=1S/C3HN/c1-2-3-4/h4H	SACCATFDCJEMHW-UHFFFAOYSA-N	51
CCCO	3-Oxo-1,2-Propadienylidene	C 1=2 C 2=3 C 3=4 O	InChI=1S/C3O/c1-2-3-4	ZCNKODXATWVMAO-UHFFFAOYSA-N	52
c-SiC3	3-Silanetetrayl-1,2-Propadienylidene	C 1=2 C 2=3 C 3=4 Si	InChI=1S/C3Si/c1-2-3-4	LTOFVVKLWCONTO-UHFFFAOYSA-N	64
CCCS	3-Thioxo-1,2-Propadieylidene	C 1=2 C 2=3 C 3=4 S	InChI=1S/C3S/c1-2-3-4	DYOPWGBKIHJGRG-UHFFFAOYSA-N	68
C5N	4-Cyano-1,3-Butadiynyl	C 1#2 C 2-3 C 3#4 C 4-5 C 5#6 N	InChI=1S/C5N/c1-2-3-4-5-6	WJKMMAVZCWXFGT-UHFFFAOYSA-N	74
CH3CHOv=0	Acetaldehyde	H H H 1-4 2-4 3-4 C 4-5 C 5=6 O 5-7 H	InChI=1S/C2H4O/c1-2-3/h2H,1H3	IKHGUXGNUITLKF-UHFFFAOYSA-N	44
CH3CHOvt=1	Acetaldehyde	H H H 1-4 2-4 3-4 C 4-5 C 5=6 O 5-7 H	InChI=1S/C2H4O/c1-2-3/h2H,1H3	IKHGUXGNUITLKF-UHFFFAOYSA-N	44
CH3CHOvt=2	Acetaldehyde	H H H 1-4 2-4 3-4 C 4-5 C 5=6 O 5-7 H	InChI=1S/C2H4O/c1-2-3/h2H,1H3	IKHGUXGNUITLKF-UHFFFAOYSA-N	44
CH3COOHv=0	Acetic Acid	H H H 1-4 2-4 3-4 C 4-5 C 5=6 O 5-7 O 7-8 H	InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)	QTBSBXVTEAMEQO-UHFFFAOYSA-N	60
(CH3)2COv=0	Acetone	H H H 1-4 2-4 3-4 C 4-5 C 5=6 O 5-7 C H H H 7-8 7-9 7-10	InChI=1S/C3H6O/c1-3(2)4/h1-2H3	CSCPPACGZOOCGX-UHFFFAOYSA-N	58
AlNC	Aluminum Isocyanitrile	37Al 1-2 C 2=3 N	InChI=1S/CN.Al/c1-2;/i;1+10	HWKFKJIIRKPLHF-KHMUKWHQSA-N	63
Al37Clv=0	Aluminum Monochloride	Al 1-2 Cl	InChI=1S/Al.ClH/h;1H/q+1;/p-1	IZMHKHHRLNWLMK-UHFFFAOYSA-M	62
AlClv=0	Aluminum Monochloride	Al 1-2 Cl	InChI=1S/Al.ClH/h;1H/q+1;/p-1	IZMHKHHRLNWLMK-UHFFFAOYSA-M	62
AlFv=0	Aluminum Monofluoride	Al 1-2 F	InChI=1S/Al.FH/h;1H/q+1;/p-1	APURLPHDHPNUFL-UHFFFAOYSA-M	46
NH2	Amidogen	N 1-2 H 1-3 H	InChI=1S/H2N/h1H2	MDFFNEOEWAXZRQ-UHFFFAOYSA-N	16
H2NCH2CN	Aminoacetonitrile	H 1-3 H 2-3 N 3-4 C 4-5 H 4-6 H 4-7 C 7#8 N	InChI=1S/C2H4N2/c3-1-2-4/h1,3H2	DFNYGALUNNFWKJ-UHFFFAOYSA-N	56
15NH3	Ammonia	H 1-4 H 2-4 H 3-4 15N	InChI=1S/H3N/h1H3/i1+1	QGZKDVFQNNGYKY-OUBTZVSYSA-N	18
ND3	Ammonia	D 1-4 D 2-4 D 3-4 N	InChI=1S/H3N/h1H3/i/hD3	QGZKDVFQNNGYKY-ZRLBSURWSA-N	20
NH2D	Ammonia	H 1-4 D 2-4 D 3-4 N	InChI=1S/H3N/h1H3/i/hD2	QGZKDVFQNNGYKY-ZSJDYOACSA-N	19
NH3v2=1	Ammonia	H 1-4 H 2-4 H 3-4 N	InChI=1S/H3N/h1H3	QGZKDVFQNNGYKY-UHFFFAOYSA-N	17
NH3v=0	Ammonia	H 1-4 H 2-4 H 3-4 N	InChI=1S/H3N/h1H3	QGZKDVFQNNGYKY-UHFFFAOYSA-N	17
NHD2	Ammonia	H 1-4 D 2-4 D 3-4 N	InChI=1S/H3N/h1H3/i/hD2	QGZKDVFQNNGYKY-ZSJDYOACSA-N	19
13C-atom	Atomic Carbon	13C	InChI=1S/C/i1+1	OKTJSMMVPCPJKN-OUBTZVSYSA-N	13
CI(C-atom)	Atomic Carbon	C	InChI=1S/C	OKTJSMMVPCPJKN-UHFFFAOYSA-N	12
3He+	Atomic Helium	3He	InChI=1S/He/i1-1	SWQJXJOGLNCZEY-BJUDXGSMSA-N	3
H-atom	Atomic Hydrogen	H	InChI=1S/H	YZCKVEUIGOORGS-UHFFFAOYSA-N	1
l-C4H2	Butatrienylidene	C 1-2 C 2-3 C 3-4 C 4-5 H 4-6 H	InChI=1S/C4H2/c1-3-4-2/h1H2	MRJFCQHWODZEPM-UHFFFAOYSA-N	50
CP	Carbon Monophosphide	C 1#2 P	InChI=1S/CP/c1-2	GDPLAAHPHNAIGW-UHFFFAOYSA-N	43
C33Sv=0	Carbon Monosulfide	C 1#2 33S	InChI=1S/CS/c1-2/i2+1	DXHPZXWIPWDXHJ-VQEHIDDOSA-N	45
13C34Sv=0	Carbon Monosulfide	13C 1#2 34S	InChI=1S/CS/c1-2/i1+1,2+2	DXHPZXWIPWDXHJ-RGIGPVFXSA-N	47
13CSv=0	Carbon Monosulfide	13C 1#2 S	InChI=1S/CS/c1-2/i1+1	DXHPZXWIPWDXHJ-OUBTZVSYSA-N	45
C34Sv=0	Carbon Monosulfide	C 1#2 34S	InChI=1S/CS/c1-2/i2+2	DXHPZXWIPWDXHJ-HQMMCQRPSA-N	46
C34Sv=1	Carbon Monosulfide	C 1#2 34S	InChI=1S/CS/c1-2/i2+2	DXHPZXWIPWDXHJ-HQMMCQRPSA-N	46
C36Sv=0	Carbon Monosulfide	C 1#2 36S	InChI=1S/CS/c1-2/i2+4	DXHPZXWIPWDXHJ-XKBLRHCCSA-N	48
CSv=0	Carbon Monosulfide	C 1#2 S	InChI=1S/CS/c1-2	DXHPZXWIPWDXHJ-UHFFFAOYSA-N	44
13C17O	Carbon Monoxide	13C 1=2 17O	InChI=1S/CO/c1-2/i1+1,2+1	UGFAIRIUMAVXCW-ZDOIIHCHSA-N	30
13C18O	Carbon Monoxide	13C 1=2 18O	InChI=1S/CO/c1-2/i1+1,2+2	UGFAIRIUMAVXCW-RGIGPVFXSA-N	31
13COv=0	Carbon Monoxide	13C 1=2 O	InChI=1S/CO/c1-2/i1+1	UGFAIRIUMAVXCW-OUBTZVSYSA-N	29
C17O	Carbon Monoxide	C 1=2 17O	InChI=1S/CO/c1-2/i2+1	UGFAIRIUMAVXCW-VQEHIDDOSA-N	29
C18O	Carbon Monoxide	C 1=2 18O	InChI=1S/CO/c1-2/i2+2	UGFAIRIUMAVXCW-HQMMCQRPSA-N	30
COv=0	Carbon Monoxide	C 1=2 O	InChI=1S/CO/c1-2	UGFAIRIUMAVXCW-UHFFFAOYSA-N	28
18OCS	Carbonyl Sulfide	18O 1=2 C 2=3 S	InChI=1S/COS/c2-1-3/i2+2	JJWKPURADFRFRB-HQMMCQRPSA-N	62
O13CS	Carbonyl Sulfide	O 1=2 13C 2=3 S	InChI=1S/COS/c2-1-3/i1+1	JJWKPURADFRFRB-OUBTZVSYSA-N	61
OC34S	Carbonyl Sulfide	O 1=2 C 2=3 34S	InChI=1S/COS/c2-1-3/i3+2	JJWKPURADFRFRB-YZRHJBSPSA-N	62
OCSv=0	Carbonyl Sulfide	O 1=2 C 2=3 S	InChI=1S/COS/c2-1-3	JJWKPURADFRFRB-UHFFFAOYSA-N	60
NH2CN	Cyanamide	N 1#2 C 2-3 N 3-4 H 3-5 H	InChI=1S/CH2N2/c2-1-3/h2H2	XZMCDFZZKTWFGF-UHFFFAOYSA-N	42
HOCN	Cyanic acid	H 1-2 O 2-3 C 3#4 N	InChI=1S/CHNO/c2-1-3/h3H	XLJMAIOERFSOGZ-UHFFFAOYSA-N	43
DC3Nv=0	Cyanoacetylene	D 1-2 C 2#3 C 3-4 C 4#5 N	InChI=1S/C3HN/c1-2-3-4/h1H/i1D	LNDJVIYUJOJFSO-MICDWDOJSA-N	52
H13CCCNv7=1	Cyanoacetylene	H 1-2 13C 2#3 C 3-4 C 4#5 N	InChI=1S/C3HN/c1-2-3-4/h1H/i1+1	LNDJVIYUJOJFSO-OUBTZVSYSA-N	52
H13CCCNv7=2	Cyanoacetylene	H 1-2 13C 2#3 C 3-4 C 4#5 N	InChI=1S/C3HN/c1-2-3-4/h1H/i1+1	LNDJVIYUJOJFSO-OUBTZVSYSA-N	52
H13CCCNv=0	Cyanoacetylene	H 1-2 13C 2#3 C 3-4 C 4#5 N	InChI=1S/C3HN/c1-2-3-4/h1H/i1+1	LNDJVIYUJOJFSO-OUBTZVSYSA-N	52
HC13CCNv7=1	Cyanoacetylene	H 1-2 13C 2#3 C 3-4 C 4#5 N	InChI=1S/C3HN/c1-2-3-4/h1H/i1+1	LNDJVIYUJOJFSO-OUBTZVSYSA-N	52
HC13CCNv7=2	Cyanoacetylene	H 1-2 13C 2#3 C 3-4 C 4#5 N	InChI=1S/C3HN/c1-2-3-4/h1H/i1+1	LNDJVIYUJOJFSO-OUBTZVSYSA-N	52
HC13CCNv=0	Cyanoacetylene	H 1-2 13C 2#3 C 3-4 C 4#5 N	InChI=1S/C3HN/c1-2-3-4/h1H/i1+1	LNDJVIYUJOJFSO-OUBTZVSYSA-N	52
HC3Nv4=1	Cyanoacetylene	H 1-2 C 2#3 C 3-4 C 4#5 N	InChI=1S/C3HN/c1-2-3-4/h1H	LNDJVIYUJOJFSO-UHFFFAOYSA-N	51
HC3Nv5=1	Cyanoacetylene	H 1-2 13C 2#3 C 3-4 C 4#5 N	InChI=1S/C3HN/c1-2-3-4/h1H/i1+1	LNDJVIYUJOJFSO-OUBTZVSYSA-N	52
HC3Nv4=1	Cyanoacetylene	H 1-2 13C 2#3 C 3-4 C 4#5 N	InChI=1S/C3HN/c1-2-3-4/h1H/i1+1	LNDJVIYUJOJFSO-OUBTZVSYSA-N	52
HC3Nv6=1	Cyanoacetylene	H 1-2 13C 2#3 C 3-4 C 4#5 N	InChI=1S/C3HN/c1-2-3-4/h1H/i1+1	LNDJVIYUJOJFSO-OUBTZVSYSA-N	52
HC3Nv7=1	Cyanoacetylene	H 1-2 13C 2#3 C 3-4 C 4#5 N	InChI=1S/C3HN/c1-2-3-4/h1H/i1+1	LNDJVIYUJOJFSO-OUBTZVSYSA-N	52
HC3Nv7=2	Cyanoacetylene	H 1-2 13C 2#3 C 3-4 C 4#5 N	InChI=1S/C3HN/c1-2-3-4/h1H/i1+1	LNDJVIYUJOJFSO-OUBTZVSYSA-N	52
HC3Nv7=3	Cyanoacetylene	H 1-2 13C 2#3 C 3-4 C 4#5 N	InChI=1S/C3HN/c1-2-3-4/h1H/i1+1	LNDJVIYUJOJFSO-OUBTZVSYSA-N	52
HC3Nv=0	Cyanoacetylene	H 1-2 13C 2#3 C 3-4 C 4#5 N	InChI=1S/C3HN/c1-2-3-4/h1H/i1+1	LNDJVIYUJOJFSO-OUBTZVSYSA-N	52
HCC13CNv=0	Cyanoacetylene	H 1-2 13C 2#3 C 3-4 13C 4#5 N	InChI=1S/C3HN/c1-2-3-4/h1H/i1+1,3+1	LNDJVIYUJOJFSO-ZKDXJZICSA-N	53
HCCC15Nv=0	Cyanoacetylene	H 1-2 13C 2#3 C 3-4 C 4#5 15N	InChI=1S/C3HN/c1-2-3-4/h1H/i1+1,4+1	LNDJVIYUJOJFSO-VFZPYAPFSA-N	53
H2CCCHCN	Cyanoallene	H 1-3 H 2-3 C 3=4 C 4=5 C 5-6 H 5-7 C 7#8 N	InChI=1S/C4H3N/c1-2-3-4-5/h3H,1H2	IRLQAJPIHBZROB-UHFFFAOYSA-N	65
DCCCCCN	Cyanobutadiyne	D 1-2 C 2#3 C 3-4 C 4#5 C 5-6 C 6#7 N	InChI=1S/C5HN/c1-2-3-4-5-6/h1H/i1D	WRARULQOSOCOQD-MICDWDOJSA-N	76
H13CCCCCN	Cyanobutadiyne	H 1-2 13C 2#3 C 3-4 C 4#5 C 5-6 C 6#7 N	InChI=1S/C5HN/c1-2-3-4-5-6/h1H/i1+1	WRARULQOSOCOQD-OUBTZVSYSA-N	76
HC13CCCCN	Cyanobutadiyne	H 1-2 C 2#3 C 3-4 C 4#5 C 5-6 C 6#7 N	InChI=1S/C5HN/c1-2-3-4-5-6/h1H	WRARULQOSOCOQD-UHFFFAOYSA-N	75
HC5Nv11=1	Cyanobutadiyne	H 1-2 C 2#3 C 3-4 C 4#5 C 5-6 C 6#7 N	InChI=1S/C5HN/c1-2-3-4-5-6/h1H	WRARULQOSOCOQD-UHFFFAOYSA-N	75
HC5Nv=0	Cyanobutadiyne	H 1-2 C 2#3 C 3-4 C 4#5 C 5-6 C 6#7 N	InChI=1S/C5HN/c1-2-3-4-5-6/h1H	WRARULQOSOCOQD-UHFFFAOYSA-N	75
HCC13CCCN	Cyanobutadiyne	H 1-2 C 2#3 C 3-4 13C 4#5 C 5-6 C 6#7 N	InChI=1S/C5HN/c1-2-3-4-5-6/h1H/i3+1	WRARULQOSOCOQD-LBPDFUHNSA-N	76
HCCC13CCN	Cyanobutadiyne	H 1-2 C 2#3 C 3-4 C 4#5 13C 5-6 C 6#7 N	InChI=1S/C5HN/c1-2-3-4-5-6/h1H/i4+1	WRARULQOSOCOQD-AZXPZELESA-N	76
HCCCC13CN	Cyanobutadiyne	H 1-2 C 2#3 C 3-4 C 4#5 C 5-6 13C 6#7 N	InChI=1S/C5HN/c1-2-3-4-5-6/h1H/i5+1	WRARULQOSOCOQD-HOSYLAQJSA-N	76
C5N-	Cyanobutadiynylide anion	C- 1#2 C 2-3 C 3#4 C 4-5 C 5#6 N	InChI=1S/C5N/c1-2-3-4-5-6/q-1	YCHYXZIXNMKBQL-UHFFFAOYSA-N	74
13CCCN	Cyanoethynyl	13C 1#2 C 2-3 C 3#4 N	InChI=1S/C3N/c1-2-3-4/i1+1	URBHYAWCGWIELS-OUBTZVSYSA-N	51
C13CCN	Cyanoethynyl	C 1#2 13C 2-3 C 3#4 N	InChI=1S/C3N/c1-2-3-4/i2+1	URBHYAWCGWIELS-VQEHIDDOSA-N	51
CC13CN	Cyanoethynyl	C 1#2 13C 2-3 C 3#4 N	InChI=1S/C3N/c1-2-3-4/i2+1	URBHYAWCGWIELS-VQEHIDDOSA-N	51
CCCNv=0	Cyanoethynyl	C 1#2 C 2-3 13C 3#4 N	InChI=1S/C3N/c1-2-3-4/i3+1	URBHYAWCGWIELS-LBPDFUHNSA-N	51
C3N-	Cyanoethynylide ion	C- 1#2 C 2-3 13C 3#4 N	InChI=1S/C3N/c1-2-3-4/q-1/i3+1	LBEHQPQVLRPOSM-LBPDFUHNSA-N	51
CNCHO	Cyanoformaldehyde	N 1#2 C 2-3 C 3-4 H 4=5 O	InChI=1S/C2HNO/c3-1-2-5-4	WZUOZKVHYFRURO-UHFFFAOYSA-N	55
13CN	Cyanogen	13C 1#2 N	InChI=1S/CN/c1-2/i1+1	JEVCWSUVFOYBFI-OUBTZVSYSA-N	27
C15N	Cyanogen	C 1#2 15N	InChI=1S/CN/c1-2/i2+1	JEVCWSUVFOYBFI-VQEHIDDOSA-N	27
CNv=0	Cyanogen	C 1#2 N	InChI=1S/CN/c1-2	JEVCWSUVFOYBFI-UHFFFAOYSA-N	26
CH2CN	Cyanomethyl	H 1-3 H 2-3 C 3-4 C 4#5 N	InChI=1S/C2H2N/c1-2-3/h1H2	XSTKDMFTWATIQP-UHFFFAOYSA-N	40
HCCN	Cyanomethylene	H 1-2 C 2-3 C 3#4 N	InChI=1S/C2HN/c1-2-3/h1H	SZICEGNEOSKVLO-UHFFFAOYSA-N	39
c-H2C3O	Cyclopropenone	C 1=2 C 2-3 1-3 C 3=4 O 1-5 H 2-6 H	InChI=1S/C3H2O/c4-3-1-2-3/h1-2H	GGRQLKPIJPFWEZ-UHFFFAOYSA-N	54
c-H13CCCH	Cyclopropenylidene	13C 1=2 C 2-3 1-3 C 1-4 H 2-5 H	InChI=1S/C3H2/c1-2-3-1/h1-2H/i1+1	VVLPCWSYZYKZKR-OUBTZVSYSA-N	39
c-HCC13CH	Cyclopropenylidene	C 1=2 C 2-3 1-3 13C 1-4 H 2-5 H	InChI=1S/C3H2/c1-2-3-1/h1-2H/i3+1	VVLPCWSYZYKZKR-LBPDFUHNSA-N	39
c-HCCCD	Cyclopropenylidene	C 1=2 C 2-3 1-3 13C 1-4 H 2-5 D	InChI=1S/C3H2/c1-2-3-1/h1-2H/i1D,3+1	VVLPCWSYZYKZKR-DOVDSDCISA-N	40
c-HCCCHv=0	Cyclopropenylidene	C 1=2 C 2-3 1-3 13C 1-4 H 2-5 H	InChI=1S/C3H2/c1-2-3-1/h1-2H/i3+1	VVLPCWSYZYKZKR-LBPDFUHNSA-N	39
N2H+v=0	Diazenylium	N 1#2 N+ 2-3 H	InChI=1S/N2/c1-2/p+1	IJGRMHOSHXDMSA-UHFFFAOYSA-O	29
CH3OCH3	Dimethyl ether	H 1-4 H 2-4 H 3-4 C 4-5 O 5-6 C 6-7 H 6-8 H 6-9 H	InChI=1S/C2H6O/c1-3-2/h1-2H3	LCGLNKUTAGEVQW-UHFFFAOYSA-N	46
13CH3CH2CN	Ethyl Cyanide	H 1-4 H 2-4 H 3-4 13C 4-5 C 5-6 H 5-7 H 5-8 C 8#9 N	InChI=1S/C3H5N/c1-2-3-4/h2H2,1H3/i1+1	FVSKHRXBFJPNKK-OUBTZVSYSA-N	56
CH313CH2CN	Ethyl Cyanide	H 1-4 H 2-4 H 3-4 C 4-5 13C 5-6 H 5-7 H 5-8 C 8#9 N	InChI=1S/C3H5N/c1-2-3-4/h2H2,1H3/i2+1	FVSKHRXBFJPNKK-VQEHIDDOSA-N	56
CH3CH213CN	Ethyl Cyanide	H 1-4 H 2-4 H 3-4 C 4-5 C 5-6 H 5-7 H 5-8 13C 8#9 N	InChI=1S/C3H5N/c1-2-3-4/h2H2,1H3/i3+1	FVSKHRXBFJPNKK-LBPDFUHNSA-N	56
CH3CH2CNv=0	Ethyl Cyanide	H 1-4 H 2-4 H 3-4 C 4-5 C 5-6 H 5-7 H 5-8 C 8#9 N	InChI=1S/C3H5N/c1-2-3-4/h2H2,1H3	FVSKHRXBFJPNKK-UHFFFAOYSA-N	55
g'Ga-(CH2OH)2	Ethylene Glycol	H 1-2 O 2-3 C 3-4 H 3-5 H 3-6 C 6-7 H 6-8 H 8-9 O 9-10 H	InChI=1S/C2H6O2/c3-1-2-5-4/h2-4H,1H2	RHNAALSRZVELNA-UHFFFAOYSA-N	62
HCCNCv=0	Ethyne Isocyanide	H 1-2 C 2-3 C 3-4 C 4#5 N	InChI=1S/C3HN/c1-2-3-4/h1H	LNDJVIYUJOJFSO-UHFFFAOYSA-N	51
13CCH	Ethynyl	13C 1#2 C 2-3 H	InChI=1S/C2H/c1-2/h1H/i2+1	XEHVFKKSDRMODV-VQEHIDDOSA-N	26
C13CH	Ethynyl	C 1#2 13C 2-3 H	InChI=1S/C2H/c1-2/h1H/i1+1	XEHVFKKSDRMODV-OUBTZVSYSA-N	26
CCD	Ethynyl	C 1#2 C 2-3 D	InChI=1S/C2H/c1-2/h1H/i1D	XEHVFKKSDRMODV-MICDWDOJSA-N	26
CCHv=0	Ethynyl	C 1#2 C 2-3 H	InChI=1S/C2H/c1-2/h1H	XEHVFKKSDRMODV-UHFFFAOYSA-N	25
CF+v=0	Fluoromethyliumylidene	C 1-2 F	InChI=1S/CF/c1-2	ISOSXCFSIDVNNC-UHFFFAOYSA-N	31
D2CO	Formaldehyde	D 1-3 D 2-3 C 3=4 O	InChI=1S/CH2O/c1-2/h1H2/i1D2	WSFSSNUMVMOOMR-DICFDUPASA-N	32
H213CO	Formaldehyde	H 1-3 H 2-3 13C 3=4 O	InChI=1S/CH2O/c1-2/h1H2/i1+1	WSFSSNUMVMOOMR-OUBTZVSYSA-N	31
H2C18O	Formaldehyde	H 1-3 H 2-3 C 3=4 18O	InChI=1S/CH2O/c1-2/h1H2/i2+2	WSFSSNUMVMOOMR-HQMMCQRPSA-N	32
H2CO	Formaldehyde	H 1-3 H 2-3 C 3=4 O	InChI=1S/CH2O/c1-2/h1H2	WSFSSNUMVMOOMR-UHFFFAOYSA-N	30
HDCO	Formaldehyde	H 1-3 D 2-3 C 3=4 O	InChI=1S/CH2O/c1-2/h1H2/i1D	WSFSSNUMVMOOMR-MICDWDOJSA-N	31
NH213CHO	Formamide	H 1-3 H 2-3 N 3-4 13C 4-5 H 4=6 O	InChI=1S/CH3NO/c2-1-3/h1H,(H2,2,3)/i1+1	ZHNUHDYFZUAESO-OUBTZVSYSA-N	46
NH2CHO	Formamide	H 1-3 H 2-3 N 3-4 C 4-5 H 4=6 O	InChI=1S/CH3NO/c2-1-3/h1H,(H2,2,3)	ZHNUHDYFZUAESO-UHFFFAOYSA-N	45
t-DCOOH	Formic Acid	D 1-2 C 2=3 O 2-4 O 4-5 H	InChI=1S/CH2O2/c2-1-3/h1H,(H,2,3)/i1D	BDAGIHXWWSANSR-MICDWDOJSA-N	47
t-H13COOH	Formic Acid	H 1-2 13C 2=3 O 2-4 O 4-5 H	InChI=1S/CH2O2/c2-1-3/h1H,(H,2,3)/i1+1	BDAGIHXWWSANSR-OUBTZVSYSA-N	47
t-HCOOD	Formic Acid	H 1-2 C 2=3 O 2-4 O 4-5 D	InChI=1S/CH2O2/c2-1-3/h1H,(H,2,3)/i/hD	BDAGIHXWWSANSR-DYCDLGHISA-N	47
t-HCOOH	Formic Acid	H 1-2 C 2=3 O 2-4 O 4-5 H	InChI=1S/CH2O2/c2-1-3/h1H,(H,2,3)	BDAGIHXWWSANSR-UHFFFAOYSA-N	46
HCO	Formyl Radical	H 1-2 C 2=3 O	InChI=1S/CHO/c1-2/h1H	CFHIDWOYWUOIHU-UHFFFAOYSA-N	29
D13CO+	Formylium	D 1-2 13C+ 2=3 O	InChI=1S/CHO/c1-2/h1H/q+1/i1+1D	XPRMKTHGXOVKEH-VVKOMZTBSA-N	31
DCO+v=0	Formylium	D 1-2 C+ 2=3 O	InChI=1S/CHO/c1-2/h1H/q+1/i1D	XPRMKTHGXOVKEH-MICDWDOJSA-N	30
H13CO+	Formylium	H 1-2 13C+ 2=3 O	InChI=1S/CHO/c1-2/h1H/q+1/i1+1	XPRMKTHGXOVKEH-OUBTZVSYSA-N	30
HC17O+	Formylium	H 1-2 C+ 2=3 17O	InChI=1S/CHO/c1-2/h1H/q+1/i2+1	XPRMKTHGXOVKEH-VQEHIDDOSA-N	30
HC18O+	Formylium	H 1-2 C+ 2=3 18O	InChI=1S/CHO/c1-2/h1H/q+1/i2+2	XPRMKTHGXOVKEH-HQMMCQRPSA-N	31
HCO+v=0	Formylium	H 1-2 C+ 2=3 O	InChI=1S/CHO/c1-2/h1H/q+1	XPRMKTHGXOVKEH-UHFFFAOYSA-N	29
HCNO	Fulminic acid	H 1-2 C 2#3 N 3-4 O	InChI=1S/CHNO/c1-2-3/h1H	UXKUODQYLDZXDL-UHFFFAOYSA-N	43
cis-CH2OHCHOv=0	Glycolaldehyde	H 1-2 O 2-3 C 3-4 H 3-5 H 3-6 H 6-7 C 7-8 H 7=9 O	InChI=1S/C2H5O2/c3-1-5-2-4/h1,4H,2H2	XLRYMGCYOGBPMI-UHFFFAOYSA-N	61
l-C6H2	Hexatrienyl	C 1=2 C 2=3 C 3=4 C 4=5 C 5=6 C 6-7 H 7-8 H	InChI=1S/C6H2/c1-2-3-4-5-6-7/h7H	HYKXPMRIPLEDMR-UHFFFAOYSA-N	74
H37Cl	Hydrochloric acid	H 1-2 37Cl	InChI=1S/ClH/h1H/i1+2	VEXZGXHMUGYJMC-NJFSPNSNSA-N	38
HCl	Hydrochloric acid	H 1-2 Cl	InChI=1S/ClH/h1H	VEXZGXHMUGYJMC-UHFFFAOYSA-N	36
DCNv2=1	Hydrogen Cyanide	D 1-2 C 2#3 N	InChI=1S/CHN/c1-2/h1H/i1D	LELOWRISYMNNSU-MICDWDOJSA-N	28
DCNv=0	Hydrogen Cyanide	D 1-2 C 2#3 N	InChI=1S/CHN/c1-2/h1H/i1D	LELOWRISYMNNSU-MICDWDOJSA-N	28
H13CNv2=1	Hydrogen Cyanide	H 1-2 13C 2#3 N	InChI=1S/CHN/c1-2/h1H/i1+1	LELOWRISYMNNSU-OUBTZVSYSA-N	28
H13CNv=0	Hydrogen Cyanide	H 1-2 13C 2#3 N	InChI=1S/CHN/c1-2/h1H/i1+1	LELOWRISYMNNSU-OUBTZVSYSA-N	28
HC15Nv=0	Hydrogen Cyanide	H 1-2 15C 2#3 N	InChI=1S/CHN/c1-2/h1H/i1+3	LELOWRISYMNNSU-AKLPVKDBSA-N	30
HCNv2=1	Hydrogen Cyanide	H 1-2 C 2#3 N	InChI=1S/CHN/c1-2/h1H	LELOWRISYMNNSU-UHFFFAOYSA-N	27
HCNv=0	Hydrogen Cyanide	H 1-2 C 2#3 N	InChI=1S/CHN/c1-2/h1H	LELOWRISYMNNSU-UHFFFAOYSA-N	27
D15NC	Hydrogen Isocyanide	D 1-2 N 2=3 C	InChI=1S/CHN/c1-2/h2H/i/hD	QIUBLANJVAOHHY-DYCDLGHISA-N	28
DNC	Hydrogen Isocyanide	H 1-2 15N 2=3 C	InChI=1S/CHN/c1-2/h2H/i2+1	QIUBLANJVAOHHY-VQEHIDDOSA-N	28
H15NC	Hydrogen Isocyanide	H 1-2 N 2=3 13C	InChI=1S/CHN/c1-2/h2H/i1+1	QIUBLANJVAOHHY-OUBTZVSYSA-N	28
HN13C	Hydrogen Isocyanide	H 1-2 N 2=3 C	InChI=1S/CHN/c1-2/h2H	QIUBLANJVAOHHY-UHFFFAOYSA-N	27
HNCv2=1	Hydrogen Isocyanide	H 1-2 N 2=3 C	InChI=1S/CHN/c1-2/h2H	QIUBLANJVAOHHY-UHFFFAOYSA-N	27
HNCv=0	Hydrogen Isocyanide	H 1-2 N 2=3 C	InChI=1S/CHN/c1-2/h2H	QIUBLANJVAOHHY-UHFFFAOYSA-N	27
D2S	Hydrogen sulfide	D 1-3 D 2-3 S	InChI=1S/H2S/h1H2/i/hD2	RWSOTUBLDIXVET-ZSJDYOACSA-N	36
H234S	Hydrogen sulfide	H 1-3 H 2-3 34S	InChI=1S/H2S/h1H2/i1+2	RWSOTUBLDIXVET-NJFSPNSNSA-N	36
H2S	Hydrogen sulfide	H 1-3 H 2-3 S	InChI=1S/H2S/h1H2	RWSOTUBLDIXVET-UHFFFAOYSA-N	34
HDS	Hydrogen sulfide	H 1-3 D 2-3 S	InChI=1S/H2S/h1H2/i/hD	RWSOTUBLDIXVET-DYCDLGHISA-N	35
17OH	Hydroxyl	17O 1-2 H	InChI=1S/HO/h1H/i1+1	TUJKJAMUKRIRHC-OUBTZVSYSA-N	18
18OH	Hydroxyl	18O 1-2 H	InChI=1S/HO/h1H/i1+2	TUJKJAMUKRIRHC-NJFSPNSNSA-N	19
OHv=0	Hydroxyl	O 1-2 H	InChI=1S/HO/h1H	TUJKJAMUKRIRHC-UHFFFAOYSA-N	17
HOC+v=0	Hydroxymethylidyne	H 1-2 O 2-3 C	InChI=1S/CHO/c1-2/h2H	ADSJRDYXKYXFKM-UHFFFAOYSA-N	29
H2COH+	Hydroxymethylium ion	H 1-3 H 2-3 C+ 3-4 O 4-5 H	InChI=1S/CH3O/c1-2/h2H,1H2/q+1	NRCYHMDIJIIHBJ-UHFFFAOYSA-N	31
HCNH+	Iminomethylium	H 1-2 C+ 2=3 N 3-4 H	InChI=1S/CH2N/c1-2/h1-2H/q+1	DCMJLVFIGUTGGQ-UHFFFAOYSA-N	28
DNCO	Isocyanic Acid	D 1-2 N 2=3 C 3=4 O	InChI=1S/CHNO/c2-1-3/h2H/i/hD	OWIKHYCFFJSOEH-DYCDLGHISA-N	44
HNCOv=0	Isocyanic Acid	H 1-2 N 2=3 C 3=4 O	InChI=1S/CHNO/c2-1-3/h2H	OWIKHYCFFJSOEH-UHFFFAOYSA-N	43
HNCSa-type	Isothiocyanic acid	H 1-2 S 2-3 C 3#4 N	InChI=1S/CHNS/c2-1-3/h3H	ZMZDMBWJUHKJPS-UHFFFAOYSA-N	59
H2CCO	Ketene	H 1-3 H 2-3 C 3=4 O	InChI=1S/CH2O/c1-2/h1H2	WSFSSNUMVMOOMR-UHFFFAOYSA-N	30
H2CCNH	Ketenimine	H 1-3 H 2-3 C 3=4 N 4-5 H	InChI=1S/CH3N/c1-2/h2H,1H2	WDWDWGRYHDPSDS-UHFFFAOYSA-N	29
LiHv=0	Lithium Hydride	Li 1-2 H	InChI=1S/Li.H	SIAPCJWMELPYOE-UHFFFAOYSA-N	8
MgCN	Magnesium Cyanide	Mg 1-2 C 2#3 N	InChI=1S/CN.Mg/c1-2;	MDLFBFMONPIWLN-UHFFFAOYSA-N	50
MgNCv=0	Magnesium Isocyanide	Mg 1-2 N 2#3 C	InChI=1S/CN.Mg/c1-2;	MDLFBFMONPIWLN-UHFFFAOYSA-N	50
13CH2NH	Methanimine	13C 1-2 H 1-3 H 3=4 N 4-5 H	InChI=1S/CH3N/c1-3-2/h1-2H/i1+1	KDNHODOHZNXLCB-OUBTZVSYSA-N	30
CH2NH	Methanimine	C 1-2 H 1-3 H 3=4 N 4-5 H	InChI=1S/CH3N/c1-3-2/h1-2H	KDNHODOHZNXLCB-UHFFFAOYSA-N	29
13CH3OHvt=0	Methanol	13C 1-2 H 1-3 H 1-4 O 4-5 H	InChI=1S/CH3O/c1-2/h2H,1H2/i1+1	CBOIHMRHGLHBPB-OUBTZVSYSA-N	32
13CH3OHvt=1	Methanol	13C 1-2 H 1-3 H 1-4 O 4-5 H	InChI=1S/CH3O/c1-2/h2H,1H2/i1+1	CBOIHMRHGLHBPB-OUBTZVSYSA-N	32
CH3OHvt=0	Methanol	C 1-2 H 1-3 H 1-4 O 4-5 H	InChI=1S/CH3O/c1-2/h2H,1H2	CBOIHMRHGLHBPB-UHFFFAOYSA-N	31
CH3OHvt=1	Methanol	C 1-2 H 1-3 H 1-4 O 4-5 H	InChI=1S/CH3O/c1-2/h2H,1H2	CBOIHMRHGLHBPB-UHFFFAOYSA-N	31
13CH3CCH	Methyl Acetylene	13C 1-2 H 1-3 H 1-4 H 1-5 C 5#6 C 6-7 H	InChI=1S/C3H4/c1-3-2/h1H,2H3/i2+1	MWWATHDPGQKSAR-VQEHIDDOSA-N	41
CH2DCCH	Methyl Acetylene	C 1-2 H 1-3 H 1-4 D 1-5 C 5#6 C 6-7 H	InChI=1S/C3H4/c1-3-2/h1H,2H3/i2D	MWWATHDPGQKSAR-VMNATFBRSA-N	41
CH3C13CH	Methyl Acetylene	C 1-2 H 1-3 H 1-4 H 1-5 C 5#6 13C 6-7 H	InChI=1S/C3H4/c1-3-2/h1H,2H3/i1+1	MWWATHDPGQKSAR-OUBTZVSYSA-N	41
CH3CCD	Methyl Acetylene	C 1-2 H 1-3 H 1-4 H 1-5 C 5#6 C 6-7 D	InChI=1S/C3H4/c1-3-2/h1H,2H3/i1D	MWWATHDPGQKSAR-MICDWDOJSA-N	41
CH3CCHv=0	Methyl Acetylene	C 1-2 H 1-3 H 1-4 H 1-5 C 5#6 C 6-7 H	InChI=1S/C3H4/c1-3-2/h1H,2H3	MWWATHDPGQKSAR-UHFFFAOYSA-N	40
13CH3CN	Methyl Cyanide	13C 1-2 H 1-3 H 1-4 H 1-5 C 5#6 N	InChI=1S/C2H3N/c1-2-3/h1H3/i1+1	WEVYAHXRMPXWCK-OUBTZVSYSA-N	42
CH313CN	Methyl Cyanide	C 1-2 H 1-3 H 1-4 H 1-5 13C 5#6 N	InChI=1S/C2H3N/c1-2-3/h1H3/i2+1	WEVYAHXRMPXWCK-VQEHIDDOSA-N	42
CH3C15N	Methyl Cyanide	C 1-2 H 1-3 H 1-4 H 1-5 C 5#6 15N	InChI=1S/C2H3N/c1-2-3/h1H3/i3+1	WEVYAHXRMPXWCK-LBPDFUHNSA-N	42
CH3CNv=0	Methyl Cyanide	C 1-2 H 1-3 H 1-4 H 1-5 C 5#6 N	InChI=1S/C2H3N/c1-2-3/h1H3	WEVYAHXRMPXWCK-UHFFFAOYSA-N	41
CH3OCHOv=0	Methyl Formate	C 1-2 H 1-3 H 1-4 H 1-5 O 5-6 C 6=7 O 6-8 H	InChI=1S/C2H4O2/c1-4-2-3/h2H,1H3	TZIHFWKZFHZASV-UHFFFAOYSA-N	60
CH3SHv=0	Methyl Mercaptan	C 1-2 H 1-3 H 1-4 H 1-5 S 5-6 H	InChI=1S/CH4S/c1-2/h2H,1H3	LSDPWZHWYPCBBB-UHFFFAOYSA-N	48
CH3C4H	Methyl diacetylene	C 1-2 H 1-3 H 1-4 H 1-5 C 5#6 C 6-7 C 7#8 C 8-9 H	InChI=1S/C5H4/c1-3-5-4-2/h1H,2H3	VNMDYSSJFJFEQI-UHFFFAOYSA-N	64
CH3NC	Methyl isocyanide	C 1-2 H 1-3 H 1-4 H 1-5 N 5#6 C	InChI=1S/C2H3N/c1-3-2/h1H3	ZRKSVHFXTRFQFL-UHFFFAOYSA-N	41
CH3NH2	Methylamine	C 1-2 H 1-3 H 1-4 H 1-5 N 5-6 H 5-7 H	InChI=1S/CH5N/c1-2/h2H2,1H3	BAVYZALUXZFZLV-UHFFFAOYSA-N	31
CH3C5N	Methylcyanodiacetylene	C 1-2 H 1-3 H 1-4 H 1-5 C 5#6 C 6-7 C 7#8 C 8-9 C 9#10 N	InChI=1S/C6H3N/c1-2-3-4-5-6-7/h1H3	KPEAXUODRYGJCC-UHFFFAOYSA-N	89
CH2	Methylene	C 1-2 H 1-3 H	InChI=1S/CH2/h1H2	HZVOZRGWRWCICA-UHFFFAOYSA-N	14
H2CN	Methylene amidogen	H 1-3 H 2-3 C 3=4 N	InChI=1S/CH2N/c1-2/h1H2	PZIDJKOIMRBQLL-UHFFFAOYSA-N	28
CH2Π1/2	Methylidyne	C 1-2 H 1-3 H	InChI=1S/CH2/h1H2	HZVOZRGWRWCICA-UHFFFAOYSA-N	14
CH2Π3/2	Methylidyne	C 1-2 H 1-3 H	InChI=1S/CH2/h1H2	HZVOZRGWRWCICA-UHFFFAOYSA-N	14
CH+	Methyliumylidene	C+ 1-2 H	InChI=1S/CH/h1H/q+1	WVVLBIYUCXYYEU-UHFFFAOYSA-N	13
CH3C6H	Methyltriacetylene	C 1-2 H 1-3 H 1-4 H 1-5 C 5#6 C 6-7 C 7#8 C 8-9 C 9#10 C 10-11 H	InChI=1S/C7H4/c1-3-5-7-6-4-2/h1H,2H3	RZZZNMYNZMTPRN-UHFFFAOYSA-N	88
NO	Nitric oxide	N 1=2 O	InChI=1S/NO/c1-2	MWUXSHHQAYIFBG-UHFFFAOYSA-N	30
N34S	Nitric sulfide	N 1#2 35S	InChI=1S/NS/c1-2/i2+3	QXTCFDCJXWLNAP-JYZZZDIKSA-N	49
NS	Nitric sulfide	N 1#2 S	InChI=1S/NS/c1-2	QXTCFDCJXWLNAP-UHFFFAOYSA-N	46
HNO	Nitrosyl hydride	H 1-2 N 2=3 O	InChI=1S/HNO/c1-2/h1H	ODUCDPQEXGNKDN-UHFFFAOYSA-N	31
N2Ov=0	Nitrous Oxide	N 1-2 O 2=3 O	InChI=1S/NO2/c1-3-2	SXVYDVNYUUCVON-UHFFFAOYSA-N	46
CCO	Oxoethenylidene	C+ 1#2 C 2-3 O-	InChI=1S/C2O/c1-2-3	VILAVOFMIJHSJA-UHFFFAOYSA-N	40
H3O+v2=0,1	Oxonium hydride	H 1-4 H 2-4 H 3-4 O+	InChI=1S/H2O/h1H2/p+1	XLYOFNOQVPJJNP-UHFFFAOYSA-O	19
HCPv=0	Phosphaethyne	H 1-2 C 2#3 P	InChI=1S/CHP/c1-2/h1H	DPYPSJGRRFKXBE-UHFFFAOYSA-N	44
CCP	Phosphapropynylidyne	C 1#2 C 2-3 C 3#4 P	InChI=1S/C3P/c1-2-3-4	VDMBKCRPJLWNJB-UHFFFAOYSA-N	67
PNv=0	Phosphorous nitride	P 1#2 N	InChI=1S/NP/c1-2	AOPJVJYWEDDOBI-UHFFFAOYSA-N	45
PO	Phosphorus Monoxide	P 1=2 O	InChI=1S/OP/c1-2	LFGREXWGYUGZLY-UHFFFAOYSA-N	47
K37Clv=0	Potassium chloride	K 1-2 37Cl	InChI=1S/ClH.K/h1H;/q;+1/p-1/i1+2;	WCUXLLCKKVVCTQ-DEQYMQKBSA-M	76
KClv=0	Potassium chloride	K 1-2 Cl	InChI=1S/ClH.K/h1H;/q;+1/p-1	WCUXLLCKKVVCTQ-UHFFFAOYSA-M	74
l-H2CCC	Propadienylidene	H 1-3 H 2-3 C 3#4 C 4-5 C	InChI=1S/C3H2/c1-3-2/h1H2	LPUFMQSFYARLPQ-UHFFFAOYSA-N	38
CH3CH2CHO	Propanal	H 1-4 H 2-4 H 3-4 C 4-5 C 5-6 H 5-7 H 5-8 C 8-9 H 8-10 H 8-11 C 11=12 O 11-13 H	InChI=1S/C4H8O/c1-2-3-4-5/h4H,2-3H2,1H3	ZTQSAGDEMFDKMZ-UHFFFAOYSA-N	72
t-CH2CHCHO	Propenal	H 1-3 H 2-3 C 3=4 C 4-5 H 4-6 C 6-7 H 6-8 H 6-9 C 9=10 O 9-11 H	InChI=1S/C4H6O/c1-2-3-4-5/h2,4H,1,3H2	IWJMQXOBCQTQCF-UHFFFAOYSA-N	70
HC3NH+	Protonate 2-propynenitrile	H 1-2 C 2#3 C 3-4 C 4#5 N 5-6 H+	InChI=1S/C3HN/c1-2-3-4/h1H/p+1	LNDJVIYUJOJFSO-UHFFFAOYSA-O	52
HOCO+	Protonated Carbon Dioxide	H+ 1-2 O 2=3 C 3=4 O	InChI=1S/CO2/c2-1-3/p+1	CURLTUGMZLYLDI-UHFFFAOYSA-O	45
29SiC2	Silicon Carbide	29Si 1=2 C 1=3 2=3 C	InChI=1S/C2Si/c1-2-3-1/i3+1	YXAAJYOVRIZQLN-LBPDFUHNSA-N	53
30SiC2	Silicon Carbide	30Si 1=2 C 1=3 2=3 C	InChI=1S/C2Si/c1-2-3-1/i3+2	YXAAJYOVRIZQLN-YZRHJBSPSA-N	54
Si13CC	Silicon Carbide	Si 1=2 13C 1=3 2=3 C	InChI=1S/C2Si/c1-2-3-1/i1+1	YXAAJYOVRIZQLN-OUBTZVSYSA-N	53
SiC2v3=1	Silicon Carbide	Si 1=2 C 1=3 2=3 C	InChI=1S/C2Si/c1-2-3-1	YXAAJYOVRIZQLN-UHFFFAOYSA-N	52
SiC2v=0	Silicon Carbide	Si 1=2 C 1=3 2=3 C	InChI=1S/C2Si/c1-2-3-1	YXAAJYOVRIZQLN-UHFFFAOYSA-N	52
SiCN2Π1/2	Silicon Cyanide	N 1#2 Si 2-3 C 3#4 N	InChI=1S/CN2Si/c2-1-4-3	SHRDEWVQFSJRTG-UHFFFAOYSA-N	68
SiNC2Π1/2	Silicon Isocyanide	N 1#2 Si 2-3 N 3=4 C	InChI=1S/CN2Si/c1-3-4-2	ZCXGUPIJQDFXQF-UHFFFAOYSA-N	68
SiCv=0	Silicon Monocarbide	Si 1#2 C	InChI=1S/CSi/c1-2	HBMJWWWQQXIZIP-UHFFFAOYSA-N	40
SiN	Silicon Mononitride	Si 1#2 N	InChI=1S/NSi/c1-2	NCLWWTWAYQTPBU-UHFFFAOYSA-N	42
29SiOv=0	Silicon Monoxide	28Si 1=2 O	InChI=1S/OSi/c1-2/i2+0	LIVNPJMFVYWSIS-ULIRUUBJSA-N	44
30SiOv=0	Silicon Monoxide	30Si 1=2 O	InChI=1S/OSi/c1-2/i2+2	LIVNPJMFVYWSIS-HQMMCQRPSA-N	46
Si18Ov=0	Silicon Monoxide	Si 1=2 18O	InChI=1S/OSi/c1-2/i1+2	LIVNPJMFVYWSIS-NJFSPNSNSA-N	46
SiOv=0	Silicon Monoxide	Si 1=2 O	InChI=1S/OSi/c1-2	LIVNPJMFVYWSIS-UHFFFAOYSA-N	44
29SiSv=0	Silicon monosulfide	29Si 1=2 S	InChI=1S/SSi/c1-2/i2+1	DWFFKGPZNGKUPH-VQEHIDDOSA-N	61
30Si34Sv=0	Silicon monosulfide	30Si 1=2 S	InChI=1S/SSi/c1-2/i2+2	DWFFKGPZNGKUPH-HQMMCQRPSA-N	62
SiSv=0	Silicon monosulfide	Si 1=2 S	InChI=1S/SSi/c1-2	DWFFKGPZNGKUPH-UHFFFAOYSA-N	60
30SiSv=0	Silicon monosulfide	30Si 1=2 S	InChI=1S/SSi/c1-2/i2+2	DWFFKGPZNGKUPH-HQMMCQRPSA-N	62
Si33Sv=0	Silicon monosulfide	Si 1=2 33S	InChI=1S/SSi/c1-2/i1+1	DWFFKGPZNGKUPH-OUBTZVSYSA-N	61
Si34Sv=0	Silicon monosulfide	Si 1=2 34S	InChI=1S/SSi/c1-2/i1+2	DWFFKGPZNGKUPH-NJFSPNSNSA-N	62
SiSv=1	Silicon monosulfide	Si 1=2 S	InChI=1S/SSi/c1-2	DWFFKGPZNGKUPH-UHFFFAOYSA-N	60
SiSv=2	Silicon monosulfide	Si 1=2 S	InChI=1S/SSi/c1-2	DWFFKGPZNGKUPH-UHFFFAOYSA-N	60
SiC4	Silicon tetracarbide	Si 1-2 C 2#3 1-3 C 1-4 C 1-5 4#5 C	InChI=1S/C4Si/c1-2-5(1)3-4-5	CURRJLNFGCNJMN-UHFFFAOYSA-N	76
NaClv=0	Sodium Chloride	Na 1-2 Cl	InChI=1S/ClH.Na/h1H;/q;+1/p-1	FAPWRFPIFSIZLT-UHFFFAOYSA-M	58
NaCN/NaNC	Sodium Cyanide	Na 1-2 C 2#3 N	InChI=1S/CN.Na/c1-2;	RTVFYQXEHKQMKO-UHFFFAOYSA-N	49
33SO2	Sulfur Dioxide	33S 1=2 O 1=3 O	InChI=1S/O2S/c1-3-2/i3+1	RAHZWNYVWXNFOC-LBPDFUHNSA-N	65
34SO2v=0	Sulfur Dioxide	34S 1=2 O 1=3 O	InChI=1S/O2S/c1-3-2/i3+2	RAHZWNYVWXNFOC-YZRHJBSPSA-N	66
OS18O	Sulfur Dioxide	S 1=2 O 1=3 18O	InChI=1S/O2S/c1-3-2/i1+2	RAHZWNYVWXNFOC-NJFSPNSNSA-N	66
33SO	Sulfur Monoxide	33S 1=2 O	InChI=1S/OS/c1-2/i2+1	XTQHKBHJIVJGKJ-VQEHIDDOSA-N	49
34SO	Sulfur Monoxide	34S 1=2 O	InChI=1S/OS/c1-2/i2+2	XTQHKBHJIVJGKJ-HQMMCQRPSA-N	50
S18O	Sulfur Monoxide	S 1=2 18O	InChI=1S/OS/c1-2/i1+2	XTQHKBHJIVJGKJ-NJFSPNSNSA-N	50
SO3Σv=0	Sulfur Monoxide	S 1=2 O	InChI=1S/OS/c1-2	XTQHKBHJIVJGKJ-UHFFFAOYSA-N	48
SO+	Sulfur Monoxide ion	S+ 1=2 O	InChI=1S/OS/c1-2/q+1	CYYOEZLVUNBAAF-UHFFFAOYSA-N	48
SO2v2=1	Sulfur dioxide	S 1=2 O 1=3 O	InChI=1S/O2S/c1-3-2	RAHZWNYVWXNFOC-UHFFFAOYSA-N	64
SO2v=0	Sulfur dioxide	S 1=2 O 1=3 O	InChI=1S/O2S/c1-3-2	RAHZWNYVWXNFOC-UHFFFAOYSA-N	64
D2CS	Thioformaldehyde	D 1-3 D 2-3 C 3=4 O	InChI=1S/CH2O/c1-2/h1H2/i1D2	WSFSSNUMVMOOMR-DICFDUPASA-N	32
H213CS	Thioformaldehyde	H 1-3 H 2-3 13C 3=4 O	InChI=1S/CH2O/c1-2/h1H2/i1+1	WSFSSNUMVMOOMR-OUBTZVSYSA-N	31
H2C34S	Thioformaldehyde	H 1-3 H 2-3 C 3=4 34O	InChI=1S/CH2O/c1-2/h1H2/i2+18	WSFSSNUMVMOOMR-AVJWWMDNSA-N	48
H2CS	Thioformaldehyde	H 1-3 H 2-3 C 3=4 O	InChI=1S/CH2O/c1-2/h1H2	WSFSSNUMVMOOMR-UHFFFAOYSA-N	30
HDCS	Thioformaldehyde	H 1-3 D 2-3 C 3=4 O	InChI=1S/CH2O/c1-2/h1H2/i1D	WSFSSNUMVMOOMR-MICDWDOJSA-N	31
HCS+	Thioformylium	H 1-2 C+ 2=3 S	InChI=1S/CHS/c1-2/h1H/q+1	YOFNWWZZELAVRX-UHFFFAOYSA-N	45
13CCS	Thioxoethenylidene	13C 1=2 C 2=3 S	InChI=1S/C2S/c1-2-3/i1+1	NELREAXCVQVNGC-OUBTZVSYSA-N	57
C13CS	Thioxoethenylidene	C 1=2 13C 2=3 S	InChI=1S/C2S/c1-2-3/i2+1	NELREAXCVQVNGC-VQEHIDDOSA-N	57
CC34S	Thioxoethenylidene	C 1=2 C 2=3 34S	InChI=1S/C2S/c1-2-3/i3+2	NELREAXCVQVNGC-YZRHJBSPSA-N	58
H2D+	Trihydrogen ion	H 1-2 H 2-3 D+	InChI=1S/H3/h1H2/q+1/i1D	QWLPJNYQVKBMAN-MICDWDOJSA-N	4
HD2+	Trihydrogen ion	H 1-2 D 2-3 D+	InChI=1S/H3/h1H2/q+1/i1+1D	QWLPJNYQVKBMAN-VVKOMZTBSA-N	5
a-H2CCHOH	Vinyl Alcohol	H 1-3 H 2-3 C 3=4 C 4-5 H 4-6 O 6-7 H	InChI=1S/C2H4O/c1-2-3/h2-3H,1H2	IMROMDMJAWUWLK-UHFFFAOYSA-N	44
s-H2CCHOH	Vinyl Alcohol	H 1-3 H 2-3 C 3=4 C 4-5 H 4-6 O 6-7 H	InChI=1S/C2H4O/c1-2-3/h2-3H,1H2	IMROMDMJAWUWLK-UHFFFAOYSA-N	44
13CH2CHCN	Vinyl Cyanide	H 1-3 H 2-3 C 3=4 C 4-5 H 4-6 C 6#7 N	InChI=1S/C3H3N/c1-2-3-4/h2H,1H2	NLHHRLWOUZZQLW-UHFFFAOYSA-N	53
CH213CHCN	Vinyl Cyanide	H 1-3 H 2-3 C 3=4 C 4-5 H 4-6 C 6#7 N	InChI=1S/C3H3N/c1-2-3-4/h2H,1H2	NLHHRLWOUZZQLW-UHFFFAOYSA-N	53
CH2CH13CN	Vinyl Cyanide	H 1-3 H 2-3 C 3=4 C 4-5 H 4-6 C 6#7 N	InChI=1S/C3H3N/c1-2-3-4/h2H,1H2	NLHHRLWOUZZQLW-UHFFFAOYSA-N	53
CH2CHCNv=0	Vinyl Cyanide	H 1-3 H 2-3 C 3=4 C 4-5 H 4-6 C 6#7 N	InChI=1S/C3H3N/c1-2-3-4/h2H,1H2	NLHHRLWOUZZQLW-UHFFFAOYSA-N	53
H218Ov=0	Water	H 1-3 H 2-3 18O	InChI=1S/H2O/h1H2/i1+2	XLYOFNOQVPJJNP-NJFSPNSNSA-N	20
H2Ov=0	Water	H 1-3 H 2-3 O	InChI=1S/H2O/h1H2	XLYOFNOQVPJJNP-UHFFFAOYSA-N	18
HDO	Water	H 1-3 D 2-3 O	InChI=1S/H2O/h1H2/i/hD	XLYOFNOQVPJJNP-DYCDLGHISA-N	19
g-CH3CH2OH	gauche-Ethanol	H 1-4 H 2-4 H 3-4 C 4-5 C 5-6 H 5-7 H 5-8 O 8-9 H	InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3	LFQSCWFLJHTTHZ-UHFFFAOYSA-N	46
t-CH3CH2OH	trans-Ethanol	H 1-4 H 2-4 H 3-4 C 4-5 C 5-6 H 5-7 H 5-8 O 8-9 H	InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3	LFQSCWFLJHTTHZ-UHFFFAOYSA-N	46