Computational Chemistry Comparison and Benchmark DataBase Release 18 (October 2016) Standard Reference Database 101 National Institute of Standards and Technology
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Index of species in the CCCBDB by IUPAC International Chemical Identifier (INChI)

For information on INChI see http://www.iupac.org/inchi/

Molecules in the CCCBDB

casno	formula	name	InChI	InChIkey	SMILES	sketch	other names
12385136	H-	Hydrogen atom anion	InChI=1S/H/q-1	KLGZELKXQMTEMM-UHFFFAOYSA-N	[H-]	H-	hydride
12385136	H	Hydrogen atom	InChI=1S/H	YZCKVEUIGOORGS-UHFFFAOYSA-N	[H]	H	H-atom; Hydrogen; Hydrogen atom; Hydrogen radical
12385136	H+	Hydrogen atom cation	InChI=1S/p+1	GPRLSGONYQIRFK-UHFFFAOYSA-N	[H+]	H+
16873179	D-	Deuterium atom anion	InChI=1S/H/q-1/i1+1	KLGZELKXQMTEMM-OUBTZVSYSA-N	[2H-]	D-
16873179	D	Deuterium atom	InChI=1S/H/i1+1	YZCKVEUIGOORGS-OUBTZVSYSA-N	[2H]	D	Deuterium; Deuterium atom
16873179	D+	Deuterium atom cation	InChI=1S/p+1/i/hD	GPRLSGONYQIRFK-DYCDLGHISA-N	[2H+]	D+
13983205	HD	Deuterium hydride	InChI=1S/H2/h1H/i1+1	UFHFLCQGNIYNRP-OUBTZVSYSA-N	[H][2H]		Deuterium hydride; Deuterium, mol. with hydrogen; Hydrogen-d1
1333740	H2-	hydrogen diatomic anion	InChI=1S/H2/h1H/q-1	MHQRCAMTVYPALZ-UHFFFAOYSA-N	[H][H-]
1333740	H2	Hydrogen diatomic	InChI=1S/H2/h1H	UFHFLCQGNIYNRP-UHFFFAOYSA-N	[H][H]		Hydrogen; Molecular hydrogen; o-Hydrogen; p-Hydrogen; dihydrogen
1333740	H2+	Hydrogen cation	InChI=1S/H2/h1H/q+1	ZZIJOQHRUPVPQC-UHFFFAOYSA-N	[H][H+]
7782390	D2	Deuterium diatomic	InChI=1S/H2/h1H/i1+1D	UFHFLCQGNIYNRP-VVKOMZTBSA-N	[2H][2H]		Deuterium; diduterium
28132481	H3+	hydrogen trimer cation	InChI=1S/H3/c1-2-3-1/q+1	RQZCXKHVAUFVMF-UHFFFAOYSA-N
7440597	He-	Helium atom anion	InChI=1S/He/q-1	GQCTUJCUOFABIY-UHFFFAOYSA-N	[He-]	He-
7440597	He	Helium atom	InChI=1S/He	SWQJXJOGLNCZEY-UHFFFAOYSA-N	[He]	He	Helium
7440597	He+	Helium atom cation	InChI=1S/He/q+1	QLNXTEZOQCZJBA-UHFFFAOYSA-N	[He+]	He+
9000184	He2+	helium dimer cation	InChI=1S/He2/c1-2/q+1	ZAJTYDXIUNGESO-UHFFFAOYSA-N	[He][He+]
9000219	HeH	Helium hydride	InChI=1S/HHe/h1H	VFSHXFTVUHSLHV-UHFFFAOYSA-N	[HeH]
9000219	HeH+	Helium hydride cation	InChI=1S/HHe/h1H/q+1	HSFAAVLNFOAYQX-UHFFFAOYSA-N	[He][H+]
7439932	Li-	Lithium atom anion	InChI=1S/Li/q-1	VSRVKRSRQFOUEF-UHFFFAOYSA-N	[Li-]	Li-
7439932	Li	Lithium atom	InChI=1S/Li	WHXSMMKQMYFTQS-UHFFFAOYSA-N	[Li]	Li	Lithium
7439932	Li+	Lithium atom cation	InChI=1S/Li/q+1	HBBGRARXTFLTSG-UHFFFAOYSA-N	[Li+]	Li+
7580678	LiH-	lithium hydride anion	InChI=1S/Li.H/q-1;	ZQPORAMEHYRKLM-UHFFFAOYSA-N	[LiH-]
7580678	LiH	Lithium Hydride	InChI=1S/Li.H	SIAPCJWMELPYOE-UHFFFAOYSA-N	[LiH]		Hydrure de lithium; Lithium hydride; Lithium hydride (LiH)
7580678	LiH+	lithium hydride cation	InChI=1S/Li.H/q+1;	HSOYNNFNUCWPIZ-UHFFFAOYSA-N	[LiH+]
7440417	Be-	Beryllium atom anion	InChI=1S/Be/q-1	MKUXRYYRAPCTSE-UHFFFAOYSA-N	[Be-]	Be-
7440417	Be	Beryllium atom	InChI=1S/Be	ATBAMAFKBVZNFJ-UHFFFAOYSA-N	[Be]	Be	Beryllium; Beryllium-9; Glucinium; Glucinum
7440417	Be+	Beryllium atom cation	InChI=1S/Be/q+1	FSZJGTOCGOQRRE-UHFFFAOYSA-N	[Be+]	Be+
13597972	BeH-	berylium monohydride anion	InChI=1S/Be.H/q-1;	XYJSQJZDMXOLES-UHFFFAOYSA-N	[BeH-]
13597972	BeH	beryllium monohydride	InChI=1S/Be.H	AYBCUKQQDUJLQN-UHFFFAOYSA-N	[BeH]		Beryllium hydride
13597972	BeH+	beryllium monohydride cation	InChI=1S/Be.H/q+1;	ZMHJNSGNHYXBAE-UHFFFAOYSA-N	[BeH+]
7787522	BeH2	beryllium dihydride	InChI=1S/Be.2H	RWASOQSEFLDYLC-UHFFFAOYSA-N	[BeH2]		Beryllium hydride
7787522	BeH2+	Beryllium dihydride cation	InChI=1S/Be.2H/q+1;;	LIYOQPNVGOXTMQ-UHFFFAOYSA-N	[BeH2+]
7787522	BeH2+	Beryllium dihydride cation	InChI=1S/Be.2H/q+1;;	LIYOQPNVGOXTMQ-UHFFFAOYSA-N	[BeH2+]
7440428	B-	Boron atom anion	InChI=1S/B/q-1	XGLYHUVZMIRFNT-UHFFFAOYSA-N	[B-]	B-
7440428	B	Boron atom	InChI=1S/B	ZOXJGFHDIHLPTG-UHFFFAOYSA-N	[B]	B	Boron
7440428	B+	Boron atom cation	InChI=1S/B/q+1	HYFJXBYGHMZZPQ-UHFFFAOYSA-N	[B+]	B+
13766262	BH-	boron monohydride anion	InChI=1S/BH/h1H/q-1	DBDNZCBRIPTLJF-UHFFFAOYSA-N	[BH-]
13766262	BH	Boron monohydride	InChI=1S/BH/h1H	UWBOAQKPEXKXSU-UHFFFAOYSA-N	[BH]		Borane; Borane(1)
13766262	BH+	boron monohydride cation	InChI=1S/BH/h1H/q+1	HJCAPRQJPXZNOT-UHFFFAOYSA-N	[BH+]
14452643	BH2-	boron dihydride anion	InChI=1S/BH2/h1H2/q-1	CBWJKNQKWLEEPG-UHFFFAOYSA-N	[BH2-]
14452643	BH2	boron dihydride	InChI=1S/BH2/h1H2	IOCVPZINIZVUIL-UHFFFAOYSA-N	[BH2]		BH2 Radical; Borane(2); Boron dihydride
14452643	BH2+	Boron dihydride cation	InChI=1S/BH2/h1H2/q+1	RCNJPCYKNBLHDC-UHFFFAOYSA-N	[BH2+]
13283313	BH3-	boron trihydride anion	InChI=1S/BH3/h1H3/q-1	RAGFTAWPNNEELE-UHFFFAOYSA-N	[BH3-]
13283313	BH3-	boron trihydride anion	InChI=1S/BH3/h1H3/q-1	RAGFTAWPNNEELE-UHFFFAOYSA-N	[BH3-]
13283313	BH3	boron trihydride	InChI=1S/BH3/h1H3	UORVGPXVDQYIDP-UHFFFAOYSA-N	B		Borane; Borane(3)
13283313	BH3+	boron trihydride cation	InChI=1S/BH3/h1H3/q+1	YXFJCDMOWXLUFT-UHFFFAOYSA-N	[BH3+]
13283313	BH3+	boron trihydride cation	InChI=1S/BH3/h1H3/q+1	YXFJCDMOWXLUFT-UHFFFAOYSA-N	[BH3+]
16971292	BH4-	borohydride anion	InChI=1S/BH4/h1H4/q-1	CROBTXVXNQNKKO-UHFFFAOYSA-N	[BH4-]
16971292	BH4	borohydride	InChI=1S/BH4/h1H4	RPHDAPRHVMJYOJ-UHFFFAOYSA-N	[BH4]
16971292	BH4	borohydride	InChI=1S/BH4/h1H4	RPHDAPRHVMJYOJ-UHFFFAOYSA-N	[BH4]
7440440	C-	Carbon atom anion	InChI=1S/C/q-1	RTNCBHBYULLTCL-UHFFFAOYSA-N	[C-]	C-
7440440	C	Carbon atom	InChI=1S/C	OKTJSMMVPCPJKN-UHFFFAOYSA-N	[C]	C	Carbon
7440440	C+	Carbon atom cation	InChI=1S/C/q+1	GKDCRJWYAGBLFY-UHFFFAOYSA-N	[C+]	C+
3315375	CH-	methylidyne anion	InChI=1S/CH/h1H/q-1	VPIURJINGFGPNS-UHFFFAOYSA-N	[CH-]
3315375	CH	Methylidyne	InChI=1S/CH/h1H	VRLIPUYDFBXWCH-UHFFFAOYSA-N	[CH]		Methylidyne
3315375	CH+	Methylidyne cation	InChI=1S/CH/h1H/q+1	WVVLBIYUCXYYEU-UHFFFAOYSA-N	[CH+]
2465567	CH2-	methylene anion	InChI=1S/CH2/h1H2/q-1	BBNHULVYDKYRSP-UHFFFAOYSA-N	[CH2-]
2465567	CH2	Methylene	InChI=1S/CH2/h1H2	HZVOZRGWRWCICA-UHFFFAOYSA-N	[CH2]		Methylene
2465567	CH2	Methylene	InChI=1S/CH2/h1H2	HZVOZRGWRWCICA-UHFFFAOYSA-N	[CH2]		Methylene
2465567	CH2+	methylene cation	InChI=1S/CH2/h1H2/q+1	CCOXZMOGYFFTRT-UHFFFAOYSA-N	[CH2+]
2465567	CH2+	methylene cation	InChI=1S/CH2/h1H2/q+1	CCOXZMOGYFFTRT-UHFFFAOYSA-N	[CH2+]
2229074	CH3-	methyl anion	InChI=1S/CH3/h1H3/q-1	LGRLWUINFJPLSH-UHFFFAOYSA-N	[CH3-]		methanide
2229074	CH3	Methyl radical	InChI=1S/CH3/h1H3	WCYWZMWISLQXQU-UHFFFAOYSA-N	[CH3]		Methyl; Methyl radical
2229074	CH3+	methyl cation	InChI=1S/CH3/h1H3/q+1	JUHDUIDUEUEQND-UHFFFAOYSA-N	[CH3+]
676493	CH3D	methane-d	InChI=1S/CH4/h1H4/i1D	VNWKTOKETHGBQD-MICDWDOJSA-N	C
676551	CH2D2	methane-d2	InChI=1S/CH4/h1H4/i1D2	VNWKTOKETHGBQD-DICFDUPASA-N	C
676802	CHD3	methane-d3	InChI=1S/CH4/h1H4/i1D3	VNWKTOKETHGBQD-FIBGUPNXSA-N	C
74828	CH4-	Methane anion	InChI=1S/CH4/h1H4/q-1		[CH4-]
74828	CH4	Methane	InChI=1S/CH4/h1H4	VNWKTOKETHGBQD-UHFFFAOYSA-N	C		Biogas; Fire damp; Marsh gas; Methane; Methyl hydride; R 50
74828	CH4+	Methane cation	InChI=1S/CH4/h1H4/q+1	DEMLYXWOPCFOLG-UHFFFAOYSA-N	[CH4+]
74828	CH4+	Methane cation	InChI=1S/CH4/h1H4/q+1	DEMLYXWOPCFOLG-UHFFFAOYSA-N	[CH4+]
74828	CH4+	Methane cation	InChI=1S/CH4/h1H4/q+1	DEMLYXWOPCFOLG-UHFFFAOYSA-N	[CH4+]
558203	CD4	methane-d4	InChI=1S/CH4/h1H4/i1D4	VNWKTOKETHGBQD-JQYAHLJZSA-N	C
17778880	N-	Nitrogen atom anion	InChI=1S/N/q-1	AODRJISUPXKQJP-UHFFFAOYSA-N	[N-]	N-
17778880	N	Nitrogen atom	InChI=1S/N	QJGQUHMNIGDVPM-UHFFFAOYSA-N	[N]	N	N; Nitrogen atom; Nitrogen radical; nitrogen
17778880	N+	Nitrogen atom cation	InChI=1S/N/q+1	DELRCXTYJVVNEW-UHFFFAOYSA-N	[N+]	N+
13774920	NH-	Imidogen anion	InChI=1S/HN/h1H/q-1	NUENPMRHRIHXSZ-UHFFFAOYSA-N	[NH-]
13774920	NH	Imidogen	InChI=1S/HN/h1H	PDCKRJPYJMCOFO-UHFFFAOYSA-N	[NH]		Imidogen; Imino
13774920	NH+	imidogen cation	InChI=1S/HN/h1H/q+1	RCELGLLFWPQDDS-UHFFFAOYSA-N	[NH+]
13770406	NH2-	amino anion	InChI=1S/H2N/h1H2/q-1	HYGWNUKOUCZBND-UHFFFAOYSA-N	[NH2-]		amide
13770406	NH2	Amino radical	InChI=1S/H2N/h1H2	MDFFNEOEWAXZRQ-UHFFFAOYSA-N	[NH2]		Amidogen; Amino radical
13770406	NH2+	Amino cation	InChI=1S/H2N/h1H2/q+1	QTLMMXDMXKCANI-UHFFFAOYSA-N	[NH2+]
15117847	ND2	Amidogen-d2	InChI=1S/H2N/h1H2/i1D2	MDFFNEOEWAXZRQ-DICFDUPASA-N	[N]([2H])[2H]		Amidogen-D2
13550497	ND3	Ammonia-d3	InChI=1S/H3N/h1H3/i/hD3	QGZKDVFQNNGYKY-ZRLBSURWSA-N	N([2H])([2H])[2H]		Ammonia-d3-
7664417	NH3-	Ammonia anion	InChI=1S/H3N/h1H3/q-1	TZXQEDWSXMUPRS-UHFFFAOYSA-N	[NH3-]
7664417	NH3	Ammonia	InChI=1S/H3N/h1H3	QGZKDVFQNNGYKY-UHFFFAOYSA-N	N		Ammonia; Ammonia gas; Ammonia, anhydrous; Anhydrous ammonia; Aromatic Ammonia, Vaporole; Nitro-Sil; Spirit of Hartshorn; azane
7664417	NH3+	ammonia cation	InChI=1S/H3N/h1H3/q+1	FXDYOSCCLBVICI-UHFFFAOYSA-N	[NH3+]
14798039	NH4+	ammonium cation	InChI=1S/H3N/h1H3/p+1	QGZKDVFQNNGYKY-UHFFFAOYSA-O	[NH4+]		ammonium
17778802	O-	Oxygen atom anion	InChI=1S/O/q-1	SUNFGZRUFCAYCR-UHFFFAOYSA-N	[O-]	O-
17778802	O	Oxygen atom	InChI=1S/O	QVGXLLKOCUKJST-UHFFFAOYSA-N	[O]	O	Atomic oxygen; Oxygen; Oxygen atom; Oxygen(sup 3P); Oxygen, atomic; Photooxygen; Singlet oxygen
17778802	O+	Oxygen atom cation	InChI=1S/O/q+1	KLZXPVWVDXGFTD-UHFFFAOYSA-N	[O+]	O+
13587547	DO	Hydroxyl-d	InChI=1S/HO/h1H/i1D	TUJKJAMUKRIRHC-MICDWDOJSA-N	[2HO]		Hydroxyl-D
3352576	OH-	hydroxide anion	InChI=1S/H2O/h1H2/p-1	XLYOFNOQVPJJNP-UHFFFAOYSA-M	[OH-]		Hydroxyl anion; Hydroxyl; hydroxide
3352576	OH	Hydroxyl radical	InChI=1S/HO/h1H	TUJKJAMUKRIRHC-UHFFFAOYSA-N	[OH]		Hydroxy radical; Hydroxyl; Hydroxy radical; Hydroxy
3352576	OH+	hydoxyl cation	InChI=1S/HO/h1H/q+1	MSCUNRCIQGLERU-UHFFFAOYSA-N	[OH+]
7732185	H2O-	water anion	InChI=1S/H2O/h1H2/q-1	UJCLDIPWNLPWIV-UHFFFAOYSA-N	[OH2-]
7732185	H2O-	water anion	InChI=1S/H2O/h1H2/q-1	UJCLDIPWNLPWIV-UHFFFAOYSA-N	[OH2-]
7732185	H2O	Water	InChI=1S/H2O/h1H2	XLYOFNOQVPJJNP-UHFFFAOYSA-N	O		Dihydrogen oxide; Distilled water; Ice; Water vapor; Water; oxidane
7732185	H2O+	water cation	InChI=1S/H2O/h1H2/q+1	RECVMTHOQWMYFX-UHFFFAOYSA-N	[OH2+]
7789200	D2O	Deuterium oxide	InChI=1S/H2O/h1H2/i/hD2	XLYOFNOQVPJJNP-ZSJDYOACSA-N	O([2H])[2H]		Deuterium oxide; Dideuterium oxide; Heavy water; Heavy water-d2; Water(sup 2)-H2; Water, heavy; Water-d2
14940637	HDO	Water-d1	InChI=1S/H2O/h1H2/i/hD	XLYOFNOQVPJJNP-DYCDLGHISA-N	O[2H]		Water-D1
13968086	H3O+	hydronium cation	InChI=1S/H2O/h1H2/p+1	XLYOFNOQVPJJNP-UHFFFAOYSA-O	[OH3+]		oxonium; Oxidanium; hydronium
14762948	F-	Fluorine atom anion	InChI=1S/FH/h1H/p-1	KRHYYFGTRYWZRS-UHFFFAOYSA-M	[F-]	F-	fluoride
14762948	F	Fluorine atom	InChI=1S/F	YCKRFDGAMUMZLT-UHFFFAOYSA-N	F	F	Fluorine atom; Fluorine radical; fluorine
14762948	F+	Fluorine atom cation	InChI=1S/F/q+1	LMHDQOWNISVSPD-UHFFFAOYSA-N	[F+]	F+
14333267	DF	Hydrofluoric acid-d	InChI=1S/FH/h1H/i/hD	KRHYYFGTRYWZRS-DYCDLGHISA-N	F[2H]		Deuterium fluoride; Hydrofluoric acid-d
7664393	HF-	hydrogen fluoride anion	InChI=1S/FH/h1H/q-1	AVYKNYBXEAFLBK-UHFFFAOYSA-N	[FH-]
7664393	HF	Hydrogen fluoride	InChI=1S/FH/h1H	KRHYYFGTRYWZRS-UHFFFAOYSA-N	F		Acide fluorhydrique; Acido fluoridrico; Anhydrous hydrofluoric acid; Boron tribromide; Fluoric acid; Fluorowodor; Fluorwasserstoff; Fluorwaterstof; Hydrofluoric acid; Hydrofluoride; Hydrogen fluoride; Rubigine
7664393	HF+	hydrogen fluoride cation	InChI=1S/FH/h1H/q+1	GCZNJFDPFDGYDB-UHFFFAOYSA-N	[FH+]
12206676	H2F+	dihydrogen fluoride cation	InChI=1S/FH2/h1H2/q+1	YNESUKSMQODWNS-UHFFFAOYSA-N	[FH2+]		fluoronium
7440019	Ne-	Neon atom anion	InChI=1S/Ne/q-1	OFRAWIXOCFNIFC-UHFFFAOYSA-N	[Ne-]	Ne-
7440019	Ne	Neon atom	InChI=1S/Ne	GKAOGPIIYCISHV-UHFFFAOYSA-N	[Ne]	Ne	Neon
7440019	Ne+	Neon atom cation	InChI=1S/Ne/q+1	LANGVOCUTJKVFC-UHFFFAOYSA-N	[Ne+]	Ne+
12200656	NeH	neon hydrogen	InChI=1S/HNe/h1H	LBMJGAHVDNLTQZ-UHFFFAOYSA-N	[NeH]
12200656	NeH+	neon hydrogen cation	InChI=1S/Ne/p+1	GKAOGPIIYCISHV-UHFFFAOYSA-O	[Ne].[H+]
7440235	Na-	Sodium atom anion	InChI=1S/Na/q-1	GVGHZEYNQYAORP-UHFFFAOYSA-N	[Na-]	Na-
7440235	Na	Sodium atom	InChI=1S/Na	KEAYESYHFKHZAL-UHFFFAOYSA-N	[Na]	Na	NA 1421; Natrium; Sodium
7440235	Na+	Sodium atom cation	InChI=1S/Na/q+1	FKNQFGJONOIPTF-UHFFFAOYSA-N	[Na+]	Na+
7646697	NaH-	sodium hydride anion	InChI=1S/Na.H/q-1;	JCISVDFVUVXSDD-UHFFFAOYSA-N	[Na][H-]
7646697	NaH	sodium hydride	InChI=1S/Na.H	MPMYQQHEHYDOCL-UHFFFAOYSA-N	[NaH]		NAH 80; Sodium hydride; Sodium hydride (NaH)
7646697	NaH+	sodium hydride cation	InChI=1S/Na.H/q+1;	FYDBACYJBJQTSN-UHFFFAOYSA-N	[Na][H+]
7439954	Mg-	Magnesium atom anion	InChI=1S/Mg/q-1	XUXSNMMFFZIQRU-UHFFFAOYSA-N	[Mg-]	Mg-
7439954	Mg	Magnesium atom	InChI=1S/Mg	FYYHWMGAXLPEAU-UHFFFAOYSA-N	[Mg]	Mg	Magnesio; Magnesium; Magnesium clippings; Magnesium pellets; Magnesium powder (pyrophoric); Magnesium powdered; Magnesium ribbons; Magnesium turnings; NA 1869; RMC
7439954	Mg+	Magnesium atom cation	InChI=1S/Mg/q+1	XYAGEBWLYIDCRX-UHFFFAOYSA-N	[Mg+]	Mg+
14332537	MgH-	magnesium monohydride anion	InChI=1S/Mg.H/q-1;	JICOAJQJSYTWQW-UHFFFAOYSA-N	[MgH-]
14332537	MgH-	magnesium monohydride anion	InChI=1/Mg.H/q-1;/rHMg/h1H/q-1	JICOAJQJSYTWQW-QZXZXGQDNA-N	[MgH-]
14332537	MgH	magnesium monohydride	InChI=1S/Mg.H	RZCHRULKKYOSQS-UHFFFAOYSA-N	[MgH]		Magnesium hydride
14332537	MgH+	magnesium monohydride cation	InChI=1S/Mg.H/q+1;	LMAKMUADRKEOEM-UHFFFAOYSA-N	[MgH+]
14332537	MgH+	magnesium monohydride cation	InChI=1/Mg.H/q+1;/rHMg/h1H/q+1	LMAKMUADRKEOEM-CLVLUJLJNA-N	[MgH+]
7693278	MgH2	magnesium dihydride	InChI=1S/Mg.2H	RSHAOIXHUHAZPM-UHFFFAOYSA-N	[MgH2]		Magnesium hydride
7429905	Al-	Aluminum atom anion	InChI=1S/Al/q-1	SBLSYFIUPXRQRY-UHFFFAOYSA-N	[Al-]	Al-
7429905	Al	Aluminum atom	InChI=1S/Al	XAGFODPZIPBFFR-UHFFFAOYSA-N	[Al]	Al	Alaun; Aluminium; Aluminum; Aluminum 27
7429905	Al+	Aluminum atom cation	InChI=1S/Al/q+1	KVLCHQHEQROXGN-UHFFFAOYSA-N	[Al+]	Al+
13967221	AlH-	aluminum monohydride anion	InChI=1S/Al.H/q-1;	GPPJFULYRSNYHE-UHFFFAOYSA-N	[AlH-]
13967221	AlH	aluminum monohydride	InChI=1S/Al.H	SPRIOUNJHPCKPV-UHFFFAOYSA-N	[AlH]		Aluminum hydride
13967221	AlH+	aluminum monohydride cation	InChI=1S/Al.H/q+1;	BSDSLUUQUQGTMP-UHFFFAOYSA-N	[AlH+]
13967221	AlH+	aluminum monohydride cation	InChI=1/Al.H/q+1;/rAlH/h1H/q+1	BSDSLUUQUQGTMP-SDLXDVTNNA-N	[AlH+]
14457659	AlH2-	aluminum dihydride anion	InChI=1S/Al.2H/q-1;;	QCBHFZBUEQBFNL-UHFFFAOYSA-N	[AlH2-]
14457659	AlH2-	aluminum dihydride anion	InChI=1/Al.2H/q-1;;/rAlH2/h1H2/q-1	QCBHFZBUEQBFNL-VTESIKLQNA-N	[AlH2-]
14457659	AlH2	aluminum dihydride	InChI=1S/Al.2H	AYENPGKIIRJZBT-UHFFFAOYSA-N	[AlH2]
14457659	AlH2+	aluminum dihydride cation	InChI=1S/Al.2H/q+1;;	GOQFGEHFZBDYEC-UHFFFAOYSA-N	[AlH2+]
14457659	AlH2+	aluminum dihydride cation	InChI=1/Al.2H/q+1;;/rAlH2/h1H2/q+1	GOQFGEHFZBDYEC-URGSOASMNA-N	[AlH2+]
7784216	AlH3-	aluminum trihydride anion	InChI=1S/Al.3H/q-1;;;	VCQUXTJZTDLELV-UHFFFAOYSA-N	[AlH3-]
7784216	AlH3-	aluminum trihydride anion	InChI=1/Al.3H/q-1;;;/rAlH3/h1H3/q-1	VCQUXTJZTDLELV-ACNMIOQWNA-N	[AlH3-]
7784216	AlH3-	aluminum trihydride anion	InChI=1S/Al.3H/q-1;;;	VCQUXTJZTDLELV-UHFFFAOYSA-N	[AlH3-]
7784216	AlH3	aluminum trihydride	InChI=1S/Al.3H	AZDRQVAHHNSJOQ-UHFFFAOYSA-N	[AlH3]		α-Aluminum trihydride; Alane; Aluminum hydride; Aluminum hydride (AlH3); Aluminum trihydride; alpha-Aluminum trihydride
7784216	AlH3	aluminum trihydride	InChI=1/Al.3H/rAlH3/h1H3	AZDRQVAHHNSJOQ-FSBNLZEDNA-N	[AlH3]		α-Aluminum trihydride; Alane; Aluminum hydride; Aluminum hydride (AlH3); Aluminum trihydride; alpha-Aluminum trihydride
7784216	AlH3+	aluminum trihydride cation	InChI=1S/Al.3H/q+1;;;	UGETZQQDAYQULB-UHFFFAOYSA-N	[AlH3+]
7784216	AlH3+	aluminum trihydride cation	InChI=1S/Al.3H/q+1;;;	UGETZQQDAYQULB-UHFFFAOYSA-N	[AlH3+]
19469819	AlH4-	Aluminum tetrahydride anion	InChI=1S/Al.4H/q-1;;;;	WVZWSVHLGBNEIG-UHFFFAOYSA-N	[Al-].[H].[H].[H].[H]
7440213	Si-	Silicon atom anion	InChI=1S/Si/q-1	HJELPJZFDFLHEY-UHFFFAOYSA-N	[Si-]	Si-
7440213	Si	Silicon atom	InChI=1S/Si	XUIMIQQOPSSXEZ-UHFFFAOYSA-N	[Si]	Si	Defoamer S-10; Silicon
7440213	Si+	Silicon atom cation	InChI=1S/Si/q+1	FSLGCYNKXXIWGJ-UHFFFAOYSA-N	[Si+]	Si+
13774942	SiH-	silicon monohydride anion	InChI=1S/HSi/h1H/q-1	YENZRLHDDWKZRA-UHFFFAOYSA-N	[SiH-]
13774942	SiH	Silylidyne	InChI=1S/HSi/h1H	QHGSGZLLHBKSAH-UHFFFAOYSA-N	[SiH]		Silicon hydride; Silylidyne
13774942	SiH+	silicon monohydride cation	InChI=1S/HSi/h1H/q+1	DNOWURJULUQXJY-UHFFFAOYSA-N	[SiH+]
13825906	SiH2-	silicon dihydride anion	InChI=1S/H2Si/h1H2/q-1	TXDGZDQGYYLGTJ-UHFFFAOYSA-N	[SiH2-]
13825906	SiH2	silicon dihydride	InChI=1S/H2Si/h1H2	XMIJDTGORVPYLW-UHFFFAOYSA-N	[SiH2]		Silylene; Silylene radical
13825906	SiH2+	silicon dihydride cation	InChI=1S/H2Si/h1H2/q+1	SYWMLUYLILUMRO-UHFFFAOYSA-N	[SiH2+]
13765441	SiH3-	Silyl anion	InChI=1S/H3Si/h1H3/q-1	LNVJLOIIRUIQCP-UHFFFAOYSA-N	[SiH3-]
13765441	SiH3	Silyl radical	InChI=1S/H3Si/h1H3	OLRJXMHANKMLTD-UHFFFAOYSA-N	[SiH3]		Silyl radical; silyl
13765441	SiH3+	Silyl cation	InChI=1S/H3Si/h1H3/q+1	SCABQASLNUQUKD-UHFFFAOYSA-N	[SiH3+]
7803625	SiH4	Silane	InChI=1S/H4Si/h1H4	BLRPTPMANUNPDV-UHFFFAOYSA-N	[SiH4]		Monosilane; Silane; Silicane; Silicon hydride; Silicon hydride (SiH4); Silicon tetrahydride
7803625	SiH4+	Silane cation	InChI=1S/H4Si/h1H4/q+1	WHUUBEIUVZVOTM-UHFFFAOYSA-N	[SiH4+]
7723140	P-	Phosphorus atom anion	InChI=1S/P/q-1	FFZANLXOAFSSGC-UHFFFAOYSA-N	[P-]	P-
7723140	P	Phosphorus atom	InChI=1S/P	OAICVXFJPJFONN-UHFFFAOYSA-N	[P]	P	Phosphorous; Phosphorus; Phosphorus, red; Phosphorus-30; Red phosphorus; White phosphorus
7723140	P+	Phosphorus atom cation	InChI=1S/P/q+1	FTFMSLKBXSATDG-UHFFFAOYSA-N	[P+]	P+
13967141	PH-	phosphorus monohydride anion	InChI=1S/HP/h1H/q-1	VRUBMEWWHJUCBX-UHFFFAOYSA-N	[PH-]
13967141	PH	phosphorus monohydride	InChI=1S/HP/h1H	BHEPBYXIRTUNPN-UHFFFAOYSA-N	[PH]		Phosphinidene
13967141	PH+	phosphorus monohydride cation	InChI=1S/HP/h1H/q+1	OVTNABWEZDTKEN-UHFFFAOYSA-N	[PH+]
13765430	PH2-	Phosphino anion	InChI=1S/H2P/h1H2/q-1	JZWFHNVJSWEXLH-UHFFFAOYSA-N	[PH2-]
13765430	PH2	Phosphino radical	InChI=1S/H2P/h1H2	FVZVCSNXTFCBQU-UHFFFAOYSA-N	[PH2]		Phosphino; Phosphino radical
13765430	PH2+	Phosphino cation	InChI=1S/H2P/h1H2/q+1	UCEAQYMTODNVSU-UHFFFAOYSA-N	[PH2+]
7803512	PH3	Phosphine	InChI=1S/H3P/h1H3	XYFCBTPGUUZFHI-UHFFFAOYSA-N	P		Celphos; Delicia; Detia; Detia gas ex-B; Fosforowodor; Gas-ex-B; Hydrogen phosphide; Phosphene; Phosphine; Phosphorus hydride; Phosphorus trihydride; Phosphorwasserstoff; phosphane
7803512	PH3+	Phosphine cation	InChI=1S/H3P/h1H3/q+1	UTXZMINRCDLQKG-UHFFFAOYSA-N	[PH3+]
9000195	PH4+	phosphonium cation	InChI=1S/H3P/h1H3/p+1	XYFCBTPGUUZFHI-UHFFFAOYSA-O	[PH4+]		Phosphine, protonated; phosphonium; phosphanium
7704349	S-	Sulfur atom anion	InChI=1S/S/q-1	ARNUDCKQSCEIEX-UHFFFAOYSA-N	[S-]	S-
7704349	S	Sulfur atom	InChI=1S/S	NINIDFKCEFEMDL-UHFFFAOYSA-N	[S]	S	Atomic sulfur; Brimstone; Flowers of sulfur; Sulfur; Sulfur atom
7704349	S+	Sulfur atom cation	InChI=1S/S/q+1	NKARKLBRYYSBBM-UHFFFAOYSA-N	[S+]	S+
13940211	HS-	mercapto anion	InChI=1S/H2S/h1H2/p-1	RWSOTUBLDIXVET-UHFFFAOYSA-M	[SH-]		HS anion
13940211	HS	Mercapto radical	InChI=1S/HS/h1H	PXQLVRUNWNTZOS-UHFFFAOYSA-N	[SH]		Mercapto; Mercapto radical
13940211	HS+	sulfur monohydride cation	InChI=1S/HS/h1H/q+1	GSVBMMRCPHEJKN-UHFFFAOYSA-N	[SH+]
13780239	DS	Mercapto-d	InChI=1S/HS/h1H/i1D	PXQLVRUNWNTZOS-MICDWDOJSA-N	[S][2H]		Mercapto-D
13536942	D2S	Hydrogen sulfide-d2	InChI=1S/H2S/h1H2/i/hD2	RWSOTUBLDIXVET-ZSJDYOACSA-N	S([2H])[2H]		Hydrogen sulfide-D2
7783064	H2S-	Hydrogen sulfide anion	InChI=1S/H2S/h1H2/q-1	ORXYGCWTUSCTLH-UHFFFAOYSA-N	[SH2-]
7783064	H2S-	Hydrogen sulfide anion	InChI=1S/H2S/h1H2/q-1	ORXYGCWTUSCTLH-UHFFFAOYSA-N	[SH2-]
7783064	H2S	Hydrogen sulfide	InChI=1S/H2S/h1H2	RWSOTUBLDIXVET-UHFFFAOYSA-N	S		Acide sulfhydrique; Dihydrogen monosulfide; Dihydrogen sulfide; Hepatic gas; Hydrogen sulfide; Hydrogen sulfide (H2S); Hydrogen sulfuric acid; Hydrogene sulfure; Hydrogen-sulphide-; Hydrosulfuric acid; Idrogeno solforato; Schwefelwasserstoff; Siarkowodor; Stink damp; Sulfur hydride; Sulfureted hydrogen; Sulfuretted hydrogen; Zwavelwaterstof; Sulfane
7783064	H2S+	Hydrogen sulfide cation	InChI=1S/H2S/h1H2/q+1	PZLIRJTVVIBARZ-UHFFFAOYSA-N	[SH2+]
18155210	H3S+	Sulfonium cation	InChI=1S/H2S/h1H2/p+1	RWSOTUBLDIXVET-UHFFFAOYSA-O	[SH3+]		Sulfonium
22537151	Cl-	Chlorine atom anion	InChI=1S/ClH/h1H/p-1	VEXZGXHMUGYJMC-UHFFFAOYSA-M	[Cl-]	Cl-	chloride
22537151	Cl	Chlorine atom	InChI=1S/Cl	ZAMOUSCENKQFHK-UHFFFAOYSA-N	[Cl]	Cl	Chlorine atom; Chlorine radical; chlorine
22537151	Cl+	Chlorine atom cation	InChI=1S/Cl/q+1	KVPIFZRDXDYGBA-UHFFFAOYSA-N	[Cl+]	Cl+
7698057	DCl	Hydrochloric acid-d	InChI=1S/ClH/h1H/i/hD	VEXZGXHMUGYJMC-DYCDLGHISA-N	[2HCl]		Hydrochloric acid-d
7647010	HCl-	hydrogen chloride anion	InChI=1S/ClH/h1H/q-1	XTUZKALZYULBAJ-UHFFFAOYSA-N	[ClH-]
7647010	HCl	Hydrogen chloride	InChI=1S/ClH/h1H	VEXZGXHMUGYJMC-UHFFFAOYSA-N	Cl		Acide chlorhydrique; Acido cloridrico; Anhydrous hydrochloric acid; Anhydrous hydrogen chloride; Basilin; Chloorwaterstof; Chlorohydric acid; Chlorowodor; Chlorwasserstoff; Dilute hydrochloric acid; Hydrochloric Acid; Hydrochloric acid gas; Hydrochloric acid mixture; Hydrochloric acid, anhydrous; Hydrochloride; Hydrogen chloride; Hydrogen-chloride-anhydrous-; Muriatic acid; NA 1789; Salzsaeure; Spirits of salt
7647010	HCl+	hydrogen chloride cation	InChI=1S/ClH/h1H/q+1	BMELVZUCMXKZLN-UHFFFAOYSA-N	[ClH+]
42348414	H2Cl+	dihydrogen monochloride cation	InChI=1S/ClH2/h1H2/q+1	IGJWHVUMEJASKV-UHFFFAOYSA-N	[ClH2+]		chloronium
7440371	Ar-	Argon atom anion	InChI=1S/Ar/q-1	WVEDPOPMYOEMCB-UHFFFAOYSA-N	[Ar-]	Ar-
7440371	Ar	Argon atom	InChI=1S/Ar	XKRFYHLGVUSROY-UHFFFAOYSA-N	[Ar]	Ar	Argon
7440371	Ar+	Argon atom cation	InChI=1S/Ar/q+1	XJVBHCCEUWWHMI-UHFFFAOYSA-N	[Ar+]	Ar+
12254681	ArH+	Argon hydride cation	InChI=1S/ArH/h1H/q+1	TVQSUVFYDVJWLI-UHFFFAOYSA-N	[ArH+]
13939156	H2Ar	H2 Ar dimer	InChI=1S/ArH2/	XKRFYHLGVUSROY-UHFFFAOYSA-N	[ArH2]
7440097	K-	Potassium atom anion	InChI=1S/K/q-1	UWWOIRWVTCLRBA-UHFFFAOYSA-N	[K-]	K-
7440097	K	Potassium atom	InChI=1S/K	ZLMJMSJWJFRBEC-UHFFFAOYSA-N	[K]	K
7440097	K+	Potassium atom cation	InChI=1S/K/q+1	NPYPAHLBTDXSSS-UHFFFAOYSA-N	[K+]	K+
7693267	KH	Potassium hydride	InChI=1S/K.H	NTTOTNSKUYCDAV-UHFFFAOYSA-N	[KH]
7693267	KH+	Potassium hydrogen cation	InChI=1S/K.H/q+1;	IVAWLQKTSHESMG-UHFFFAOYSA-N	[KH+]
7440702	Ca-	Calcium atom anion	InChI=1S/Ca/q-1	XKKBEAHLYVJDCI-UHFFFAOYSA-N	[Ca-]	Ca-
7440702	Ca	Calcium atom	InChI=1S/Ca	OYPRJOBELJOOCE-UHFFFAOYSA-N	[Ca]	Ca
7440702	Ca+	Calcium atom cation	InChI=1S/Ca/q+1	JDMNMMCDWTVNSP-UHFFFAOYSA-N	[Ca+]	Ca+
14452756	CaH	Calcium monohydride	InChI=1S/Ca.H	PKHCKQOIOXDRJH-UHFFFAOYSA-N	[CaH]
14452756	CaH+	Calcium monohydride cation	InChI=1S/Ca.H/q+1;	RCNSIXLSPLIYSS-UHFFFAOYSA-N	[CaH+]		ADODB.Connection error '800a0e78' Operation is not allowed when the object is closed. /inchix.asp, line 77