National Institute of Standards and Technology

Computational Chemistry Comparison and Benchmark DataBase
Release 22	May 2022
NIST Standard Reference Database 101

I	Introduction
II	Experimental data
III	Calculated data
IV	Data comparisons
V	Cost comparisons
VI	Input and output files
VII	Tutorials and Units
VIII	Links to other sites
IX	Feedback
X	Older CCCBDB versions
XII	Geometries
XIII	Vibrations
XIV	Reaction data
XV	Entropy data
XVI	Bibliographic data
XVII	Ion data
XVIII	Bad calculations
XIX	Index of properties
XX	H-bond dimers
XXI	Oddities

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III.F.1. (I.A.4.)

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count	Species	Name	State	Conformation
1	D	Deuterium atom	1S	Kh
2	H	Hydrogen atom	1S	Kh
3	H+	Hydrogen atom cation		Kh
4	D2	Deuterium diatomic	1Σg	D∞h
5	H2	Hydrogen diatomic	1Σg	D∞h
6	HD	Deuterium hydride	1Σg	D∞h
7	He	Helium atom	1S	Kh
8	He	Helium atom
9	He+	Helium atom cation	2S	Kh
10	HeH+	Helium hydride cation	1Σ	C∞v
11	He2+	helium diatomic cation	2Σu	D∞h
12	Li	Lithium atom	2S	Kh
13	Na	Sodium atom	2S	Kh
14	LiH	Lithium Hydride	1Σ	C∞v
15	Be	Beryllium atom	1S	Kh
16	Be+	Beryllium atom cation	2S	Kh
17	Mg	Magnesium atom	1S	Kh
18	Mg+	Magnesium atom cation	2S	Kh
19	Ca	Calcium atom	1S	Kh
20	MgH	magnesium monohydride	2Σ	C∞v
21	ZnH+	Zinc, protonated
22	BeH2+	Beryllium dihydride cation
23	B	Boron atom	2P	Kh
24	B	Boron atom	4P	Kh
25	B+	Boron atom cation	1S	Kh
26	Al	Aluminum atom	2P	Kh
27	Al-	Aluminum atom anion	3P	Kh
28	Al+	Aluminum atom cation	1S	Kh
29	Ga	Gallium atom	2P
30	Ga-	Gallium atom anion	3P	Oh
31	Ga+	Gallium atom cation	1S
32	BH	Boron monohydride	1Σ	C∞v
33	AlH	aluminum monohydride	1Σ	C∞v
34	GaH	Gallium monohydride	1Σ	C∞v
35	GaH+	Gallium monohydride cation	2Σ	C∞v
36	BH2	boron dihydride	2A1	C2v
37	AlH2	aluminum dihydride	2A1	C2v
38	BH3	boron trihydride	1A1'	D3h
39	BH3+	boron trihydride cation	2B2	C2v
40	BH3+	boron trihydride cation		C2v
41	AlH3	aluminum trihydride	1A1'	D3h
42	AlH3-	aluminum trihydride anion		C3v
43	BH4-	borohydride anion	1A1	Td
44	C	Carbon atom	3P0	Kh
45	C	Carbon atom	3P1	Kh
46	C+	Carbon atom cation	2P	Kh
47	Si	Silicon atom	3P	Kh
48	Si	Silicon atom	1S	Kh
49	Si-	Silicon atom anion	4S	Kh
50	Si+	Silicon atom cation	2P	Kh
51	Ge	Germanium atom	3P	Kh
52	Ge-	Germanium anion	4S	Kh
53	Ge+	Germanium cation	2P	Kh
54	CH	Methylidyne	2Π1/2	C∞v
55	SiH	Silylidyne	2Π	C∞v
56	GeH	germylidene	2Π	C∞v
57	CH2	Methylene	3B1	C2v
58	CH2-	methylene anion	2B1	C2v
59	SiH2	silicon dihydride	1A1	C2v
60	GeH2	germylene	1A1	C2v
61	CH3	Methyl radical	2A1	D3h
62	CH3+	methyl cation	1A1'	D3h
63	SiH3	Silyl radical	2A1	C3v
64	SiH3+	Silyl cation	1A1'	D3h
65	GeH3	Germyl radical	2A1	C3v
66	GeH3+	germyl cation	1A1'	D3h
67	CH4	Methane	1A1	Td
68	SiH2D2	silane-d2
69	SiH4	Silane	1A1	Td
70	GeH4	Germane	1A1	Td
71	SiH5+	Silane, protonated
72	N	Nitrogen atom	4S	Kh
73	N+	Nitrogen atom cation	3P	Kh
74	P	Phosphorus atom	4S	Kh
75	As	Arsenic atomic	4S	Kh
76	As-	Arsenic anion	3P	Kh
77	As+	Arsenic cation	3P	Kh
78	NH	Imidogen	3Σ-	C∞v
79	PH	phosphorus monohydride	3Σ-	C∞v
80	AsH	Arsenic monohydride	3Σ	C∞v
81	ND2	Amidogen-d2	2B1	C2v
82	NH2	Amino radical	2B1	C2v
83	NH2+	Amino cation	3B1	C2v
84	NH2+	Amino cation	1A1	C2v
85	PH2	Phosphino radical	2B1	C2v
86	ND3	Ammonia-d3	1A1	C3v
87	NH3	Ammonia	1A1	C3v
88	PH3	Phosphine	1A1	C3v
89	PH3+	Phosphine cation	2A1	C3v
90	AsH3	Arsine	1A1	C3v
91	AsH3+	Arsine cation	2A1	C3v
92	AsH4+	Arsonium
93	NH4	Ammonium radical
94	PH4	Phosphoranyl radical
95	O	Oxygen atom	3S	Kh
96	O+	Oxygen atom cation	4S	Kh
97	S	Sulfur atom	3P	Kh
98	S	Sulfur atom
99	Se	Selenium atom	3P	Kh
100	Se-	Selenium atom anion	2P	Kh
101	Se+	Selenium atom cation	4S	Kh
102	DO	Hydroxyl-d	2Π	C∞v
103	OH	Hydroxyl radical	2Π	C∞v
104	OH+	hydoxyl cation	3Σ	C∞v
105	DS	Mercapto-d	2Π	C∞v
106	HS	Mercapto radical	2Π	C∞v
107	HS-	mercapto anion	1Σ	C∞v
108	HS+	sulfur monohydride cation	3Σ	C∞v
109	HSe	Selenium monohydride	2Π	C∞v
110	HSe-	selenium monohydride anion	1Σ	C∞v
111	HSe+	selenium monohydride cation	3Σ	C∞v
112	D2O	Deuterium oxide	1A1	C2v
113	H2O	Water	1A1	C2v
114	H2O-	water anion	2A1	C2v
115	H2O-	water anion	2A'	Cs
116	H2O+	water cation	2B1	C2v
117	HDO	Water-d1	1A1	C2v
118	D2S	Hydrogen sulfide-d2	1A1	C2v
119	H2S	Hydrogen sulfide	1A1	C2v
120	H2Se	Hydrogen selenide	1A1	C2v
121	H2Se+	Hydrogen selenide cation	2B1	C2v
122	H3S+	Sulfonium cation	1A1	C3v
123	H3Se+	Hydrogen Selenide, protonated	1A1	C3v
124	F	Fluorine atom	2P	Kh
125	F+	Fluorine atom cation	3S	Kh
126	Cl	Chlorine atom	2P	Kh
127	Cl+	Chlorine atom cation	3P	Kh
128	Br	Bromine atom	2P	Kh
129	Br-	Bromine atom anion	1S	Kh
130	Br+	Bromine atom cation	3P	Kh
131	DF	Hydrofluoric acid-d	1Σ	C∞v
132	HF	Hydrogen fluoride	1Σ	C∞v
133	HF-	hydrogen fluoride anion	2Σ	C∞v
134	HF+	hydrogen fluoride cation	2Π	C∞v
135	DCl	Hydrochloric acid-d	1Σ	C∞v
136	HCl	Hydrogen chloride	1Σ	C∞v
137	HCl-	hydrogen chloride anion	2Σ	C∞v
138	HCl+	hydrogen chloride cation	2Π	C∞v
139	HBr	hydrogen bromide	1Σ	C∞v
140	HBr-	hydrogen bromide anion	2Σ	C∞v
141	HBr+	hydrogen bromide cation	2Π	C∞v
142	H2Cl+	dihydrogen monochloride cation	1A1	C2v
143	H2Br+	protonated hydrogen bromide	2A1	C2v
144	Ne	Neon atom	1S	Kh
145	Ne	Neon atom
146	Ne+	Neon atom cation	2P	Kh
147	Ar	Argon atom	1S	Kh
148	Kr	Krypton atom	1S	Kh
149	Kr+	Krypton cation	2P	Kh
150	HeLi+	Helium Lithium cation
151	ArH+	Argon hydride cation	1Σ	C∞v
152	KrH+	Protonated Krypton	1Σ	C∞v
153	NaLi	lithium sodium	1Σ	C∞v
154	Na2	Sodium diatomic	1Σg	D∞h
155	Na2-	sodium diatomic anion	2Σu	D∞h
156	LiAl	Lithium Aluminum
157	HBBH	Diborane(2)	3ΣG	D∞h
158	B2H4	Diborane(4) D2d	1A1	D2d
159	B2H6	Diborane	1Ag	D2h
160	B2H6+	Diborane cation
161	CaC	Calcium monocarbide
162	BSi	Boron silicide	4Σ	C∞v
163	BSi	Boron silicide	2Σ	C∞v
164	Si2	Silicon diatomic	3Σg	D∞h
165	GeC	Germanium monocarbide	1Σ	C∞v
166	SiGe	Silicon Germanium
167	C2H-	Ethynyl anion	1Σ	C∞v
168	C2H2	Acetylene	1Σg	D∞h
169	C2H2+	acetylene cation	2Πu	D∞h
170	C2H2+	acetylene cation
171	H2CC-	vinylidene anion
172	HCCH-	acetylene anion
173	HCCH-	acetylene anion
174	Si2H2	disilyne
175	Si2H2	disilyne
176	Si2H2	disilyne
177	Si2H2	disilyne
178	CH3Li	methyl lithium	1A1	C3v
179	C2H3	vinyl	2A'	Cs
180	C2H3+	vinyl cation	1A1	C2V bridging H
181	C2H3+	vinyl cation	1A1	C2V HCCH2
182	C2H4	Ethylene	1Ag	D2h
183	Si2H4	Disilene
184	Si2H4	Disilene
185	Si2H4	Disilene
186	C2H5	Ethyl radical	2A'	Cs
187	C2H6	Ethane	1A1g	D3d
188	Si2H6	disilane	1Eu	D3d
189	LiN	Lithium Nitride	3Σ	C∞v
190	LiP	Lithium monophosphide
191	LiP	Lithium monophosphide
192	MgN	Magnesium Nitride
193	MgN	Magnesium Nitride
194	GaAs	Gallium arsenide	3Π
195	GaAs	Gallium arsenide	1Σ
196	BN	boron nitride	3Π	C∞v
197	AlN	Aluminum nitride	3Πi	C∞v
198	CN	Cyano radical	2Σ	C∞v
199	SiP	Silicon monophosphide	2Π	C∞v
200	N2	Nitrogen diatomic	1Σg	D∞h
201	N2	Nitrogen diatomic
202	PN	Phosphorus mononitride	1Σ	C∞v
203	HCN	Hydrogen cyanide	1Σ	C∞v
204	HCN+	hydrogen cyanide cation	2Π	C∞v
205	HNC+	hydrogen isocyanide cation
206	HCP+	Phosphaethyne cation
207	NNH+	Dinitrogen monohydride cation	1Σ	C∞v
208	LiNH2	lithium amide
209	HBNH	Boranimine	1Σ	C∞v
210	H2NN	Isodiazene
211	CH2NH	Methanimine	1A'	Cs
212	CH2NH+	Methanimine cation
213	CHNH2	aminomethylene
214	CHNH2+	Aminocarbene cation
215	BH2NH2	Boranamine
216	CH3NH2	methyl amine	1A'	Cs
217	SiH3NH2	Silane, amino
218	BH3PH3	borane phosphine
219	CH3NH3	methyl ammonium radical	2A1	C3v
220	N2H7+	ammonia ammonium dimer
221	LiSe	Lithium monoselenide
222	CaO	Calcium monoxide	1Σ	C∞v
223	CaS	Calcium sulfide	1Σ	C∞v
224	BO	boron monoxide	2Σ	C∞v
225	BO-	boron monoxide anion	1Σ	C∞v
226	GaO	Gallium monoxide	2Σ	C∞v
227	GaS	Gallium monosulfide
228	CO	Carbon monoxide	1Σ	C∞v
229	CO+	carbon monoxide cation	2Σ	C∞v
230	CS	carbon monosulfide	1Σ	C∞v
231	SiO	Silicon monoxide	1Σ	C∞v
232	SiS	silicon monosulfide	1Σ	C∞v
233	CSe	Carbon monoselenide	1Σ	C∞v
234	GeO	Germanium monoxide	1Σ	C∞v
235	SiSe	Silicon Monoselenide
236	SiSe+	Silicon Monoselenide cation
237	GeSe	Germanium monoselenide
238	NO	Nitric oxide	2Π	C∞v
239	NO-	nitric oxide anion	3Σ	C∞v
240	NO+	nitric oxide cation	1Σ	C∞v
241	PS	phosphorus sulfide	2Σ	C∞v
242	O2	Oxygen diatomic	3Σg	D∞h
243	O2--	dioxygen dianion
244	SO	Sulfur monoxide	3Σ	C∞v
245	SO	Sulfur monoxide	1Σ	C∞v
246	SO+	sulfur monoxide cation	2Π	C∞v
247	S2	Sulfur diatomic	3Σg	D∞h
248	SeO	Selenium monoxide	3Σ	C∞v
249	Se2	Selenium diatomic	3Σg	D∞h
250	LiOH	lithium hydroxide	1Σ	C∞v
251	BeOH	beryllium monohydroxide	2A'	Cs
252	HBO	Boron hydride oxide	1Σ	C∞v
253	HBS	hydrogen boron sulfide	1Σ	C∞v
254	COH	Hydroxymethylidyne
255	HCO	Formyl radical	2A'	Cs
256	HCO-	formyl anion	1A'	Cs
257	HCO+	Formyl cation	1Σ	C∞v
258	HNO	Nitrosyl hydride	1A'	Cs
259	HNO+	Nitrosyl hydride cation	2A'	Cs
260	HO2	Hydroperoxy radical	2A"	Cs
261	HSO+	Sulfur Monoxide, S-protonated
262	SOH	Sulfur Hydroxide
263	SOH+	Sulfur Monoxide, protonated
264	H2CO	Formaldehyde	1A1	C2v
265	H2CO-	formaldehyde anion	2A'	Cs
266	H2CO-	formaldehyde anion
267	H2CO+	formaldehyde cation	2B2	C2v
268	H2CS	Thioformaldehyde	1A1	C2v
269	H2CS-	thioformaldehyde anion
270	H2CS-	thioformaldehyde anion
271	H2CSe	Selenoformaldehyde
272	H2O2	Hydrogen peroxide	1A	C2
273	H2O2	Hydrogen peroxide	1Ag	C2h
274	H2OO	water oxide
275	HOSH	hydrogen thioperoxide
276	H2Se2	hydrogen diselenide
277	NH2OH	hydroxylamine	1A'	Cs
278	NH2OH+	Hydroxylamine cation
279	NH2SH	Thiohydroxylamine
280	NH2SH	Thiohydroxylamine
281	NH3S	sulfidoazane
282	CH3OH	Methyl alcohol	1A'	Cs
283	CH3OH+	Methyl alcohol cation	2A"	Cs
284	SiH3OH	silanol
285	NH2OH2+	protonated hydroxylamine
286	NH3OH+	N-protonated hydroxylamine
287	H5O2+	Dihydroxonium ion	1A	C2
288	LiF	lithium fluoride	1Σ	C∞v
289	LiCl	lithium chloride	1Σ	C∞v
290	NaF+	sodium fluoride cation	2Σ	C∞v
291	LiBr	Lithium Bromide	1Σ	C∞v
292	LiF+	lithium fluoride cation	2Π	C∞v
293	CaBr	Calcium monobromide
294	BF	Boron monofluoride	1Σ	C∞v
295	AlF	Aluminum monofluoride	1Σ+	C∞v
296	GaF	Gallium monofluoride	1Σ	C∞v
297	AlBr	Aluminum monobromide
298	GaCl	Gallium monochloride	1ΣG	C∞v
299	GaBr	Gallium monobromide
300	CF	Fluoromethylidyne	2Π	C∞v
301	CF-	carbon monofluoride anion	3Σ	C∞v
302	SiCl	Clorosilylidyne	2Π	C∞v
303	CBr	Carbon monobromide	2Π	C∞v
304	GeF	Germanium monofluoride	2Π	C∞v
305	GeCl	Germanium monochloride	2Π	C∞v
306	GeCl+	Germanium monochloride cation
307	SiBr	Silicon monobromide	2Π	C∞v
308	SiBr+	Silicon monobromide cation
309	NCl	nitrogen monochloride	3Σ	C∞v
310	PBr	Phosphorus monobromide
311	ClO	Monochlorine monoxide	2Π	C∞v
312	ClO+	chlorine monoxide cation	3Σ	C∞v
313	SF	Monosulfur monofluoride	2Π	C∞v
314	SF+	sulfur monofluoride cation	3Σ	C∞v
315	SCl+	sulfur monochloride cation	3Σg	C∞v
316	BrO	Bromine monoxide	2Π	C∞v
317	BrO+	Bromine monoxide cation
318	SBr	Sulfur monobromide radical
319	SBr+	Sulfur monobromide cation
320	SeBr	Selenium monobromide
321	BrCl	Bromine monochloride	1Σ	C∞v
322	F2	Fluorine diatomic	1Σg	D∞h
323	F2+	flourine diatomic cation	2Πg	D∞h
324	ClF	Chlorine monofluoride	1Σ+	C∞v
325	ClF+	clorine monofluoride cation	2Π	C∞v
326	Cl2	Chlorine diatomic	1Σg	D∞h
327	Cl2+	chlorine diatomic cation	2Πg	D∞h
328	BrF	Bromine monofluoride	1Σ	C∞v
329	Br2	Bromine diatomic	1Σg	D∞h
330	Br2-	bromine diatomic anion	2Σu	D∞h
331	Br2+	bromine diatomic cation	2Πg	D∞h
332	HCF	Fluoromethylene	1A'	Cs
333	HCF	Fluoromethylene	3A"	Cs
334	HSiF	fluorosilylene
335	HSiCl	Chlorosilylene
336	HSiBr	monobromosilylene
337	HOF	Hypofluorous acid	1A'	Cs
338	HOCl	hypochlorous acid	1A'	Cs
339	HOCl+	hypochlorous acid cation
340	F2H+	Fluorine, protonated	1A'	Cs
341	ClFH+	Chlorine fluoride, F-protonated
342	FClH+	Chlorine fluoride, Cl-protonated
343	Cl2H+	Chlorine, protonated	1A'	Cs
344	CH2Br	bromomethyl radical
345	CH2F	fluoromethyl radical	2A	Cs
346	CH2F+	fluoromethyl cation
347	CH2Cl+	chloromethyl cation
348	CH2Cl	chloromethyl radical	2A'	Cs
349	CH2Cl	chloromethyl radical	2B1	C2v
350	NH2Cl	chloramine	1A'	Cs
351	CH3F+	methyl fluoride cation
352	CH3Cl	Methyl chloride	1A1	C3v
353	SiH3F	monofluorosilane	1A1	C3v
354	SiH3Cl	chlorosilane	1A1	C1
355	CH3Br	methyl bromide	1A1	C3v
356	GeH3F	monofluorogermane
357	GeH3Cl	monochlorogermane
358	NH3Cl+	protonated monochloroammonia
359	CH3ClH+	methyl chloride, protonated
360	NH4Cl	Ammonium chloride
361	LiNe+	Lithium Neon cation
362	Ar2	Argon diatomic	1Sg	D∞h
363	C3	carbon trimer	1Σg	D∞h
364	C3	carbon trimer	1A1	C2v
365	SiC2	Silicon dicarbide
366	C3H4	cyclopropene	1A1	C2v
367	CH2CCH2	allene	1A1	D2d
368	CH3CCH	propyne	1A'	C3v
369	C3H5	Allyl radical	2A2	C2v
370	C3H6	Cyclopropane	1A1'	D3h
371	CH2CHCH3	Propene	1A'	Cs
372	C3H7	n-Propyl radical	2A"	C1
373	CH3CHCH3	Isopropyl radical	2A	C2
374	C3H8	Propane	1A1	C2v
375	Si3H8	trisilane
376	ZnCN	Zinc monocyanide	2Σ	C∞v
377	ZnNC	Zinc isocyanide	2Σ	C∞v
378	AlCN	Aluminum monocyanide
379	AlNC	Aluminum isocyanide
380	CNN	Diazocarbene
381	HN3	hydrogen azide	1A'	Cs
382	HN3+	Hydrazoic acid cation
383	HNCNH	diiminomethane	1A	C2
384	HNNNH+	1,2-Triazadienium
385	NH2NN+	hydrazoic acid, protonated
386	CH3CN	Acetonitrile	1A1	C3v
387	CH3CN-	acetonitrile anion	2E	C3v
388	CH3CN-	acetonitrile anion	2A'	Cs
389	CHNCH2	2H-Azirine
390	CHNHCH	1H-Azirine
391	H2CCNH	Ethenimine
392	H2CNCH	methyleneaminomethylene
393	HCCNH2	Ethynamine
394	HCNCH2+	2H-Azirine cation
395	NH2CNH+	cyanamide, cn protonated
396	NH3CN+	cyanamide, amine protonated
397	C2H6N+	aziridine, protonated	1A1	C2v
398	CH3CH2NH2	Ethylamine
399	Na2S	Sodium sulfide
400	Na2S	Sodium sulfide
401	LiO2	Lithium dioxide
402	NaO2	Sodium superoxide
403	NCO	isocyanato radical	2Π	C∞v
404	N2O	Nitrous oxide	1Σ	C∞v
405	CO2	Carbon dioxide	1Σg	D∞h
406	OCS	Carbonyl sulfide	1Σ	C∞v
407	CS2	Carbon disulfide	1Σg	D∞h
408	GeO2	Germanium dioxide	1Σg	D∞h
409	OCSe	Carbonyl selenide	1Σ	C∞v
410	SCSe	Carbon sulfide selenide
411	NSO	sulfinyl amidogen
412	SNO	Nitrogen oxide sulfide
413	SO2	Sulfur dioxide	1A1	C2v
414	SSO	Disulfur monoxide	1A'	Cs
415	S3	Sulfur trimer	1A1	C2v
416	S3	Sulfur trimer
417	SeO2	Selenium dioxide	1A1	C2v
418	HCCO	ketenyl radical	2Π	C∞v
419	HCCO	ketenyl radical	2A"	Cs
420	HCNO	fulminic acid	1Σ	C∞v
421	HNCS	Isothiocyanic acid
422	HNCS	Isothiocyanic acid
423	HSCN	thiocyanic acid	1A'	Cs
424	HOCO	Hydrocarboxyl radical	1A'	cis
425	HOCO	Hydrocarboxyl radical	1A'	trans
426	O3H+	protonated ozone	1A'	Cs
427	O3H+	protonated ozone
428	C2H2O	Oxirene	1A1	C2v
429	CH2CO	Ketene	1A1	C2v
430	CH2CS	Thioketene
431	Be(OH)2	Beryllium hydroxide
432	Be(OH)2	Beryllium hydroxide
433	HCOOH	Formic acid	1A'	Cs
434	HCOOH	Formic acid
435	BH3CO	Borane carbonyl	1A1	C3v
436	CH2COH+	ketene, protonated
437	CH3CO	Acetyl radical	2A'	Cs
438	HOCHNH	hydroxymethylimine	1A'	CS H all up
439	CHSNH2	thioformamide
440	NHCHSH	Methanimidothioic acid
441	C2H4O	Ethylene oxide	1A1	C2v
442	C2H4O+	ethylene oxide cation
443	CH3CHO	Acetaldehyde	1A'	Cs
444	CH3CHO+	acetaldehyde cation
445	H2COCH2+	Methyl, (methyleneoxoniumyl)-
446	C2H4S	Thiirane	1A1	C2v
447	CH2CHSH	Ethenethiol
448	CH3CHS	Thioacetaldehyde	1A'	C1
449	NH2CHOH+	Formamide, O-protonated
450	CH3SSH	Hydrogen methyl disulfide
451	HSCH2SH	Methanedithiol
452	C2H4OH+	ethylene oxide, protonated	1A'	Cs
453	NH2CH2OH	aminomethanol
454	CH3CH2SH	ethanethiol	1A'	Cs
455	CH3CH2SH	ethanethiol	1A	C1
456	CH3SCH3	Dimethyl sulfide	1A1	C2v
457	CH3SCH3+	dimethyl sulfide cation
458	BrCN	Cyanogen bromide	1Σ	C∞v
459	FBO	Boron monofluoride monoxide
460	BeBr2	Beryllium bromide
461	CaBr2	Calcium dibromide
462	BF2	Boron difluoride radical	2A1	C2v
463	FNO	Nitrosyl fluoride	1A'	Cs
464	ClNO	Nitrosyl chloride	1A'	Cs
465	FSN	Thiazyl fluoride	1A'	Cs
466	OPCl	Phosphorus oxychloride
467	CF2	Difluoromethylene	1A1	D∞h
468	SiF2	Silicon difluoride	1A1	C2v
469	GeCl2	Germanium dichloride	1A1	C2v
470	FOO+	Fluorine dioxide cation
471	OClO	Chlorine dioxide	2B1	D∞h
472	OClO-	Chlorine dioxide anion	1A'	Cs
473	BrOO	Bromine dioxide
474	PF2	Phosphorus difluoride
475	PF2+	Phosphorus difluoride cation
476	SF2	sulfur difluoride	1A1	C2v
477	SeF2	Selenium difluoride
478	SeCl2	Selenium Dichloride
479	SBr2	Sulfur dibromide
480	SeBr2	Selenium dibromide
481	Br3-	tribromide anion
482	SFCl	Sulfur chloride fluoride
483	HCCF	Fluoroacetylene	1Σ	C∞v
484	CHF2	difluoromethyl radical	2A	Cs
485	CHF2+	difluoromethyl cation
486	CHFCl	Chlorofluoromethyl radical
487	CHFCl+	Chlorofluoromethyl cation
488	CHCl2+	dichloromethyl cation
489	CHBr2	dibromomethyl radical
490	NHF2	difluoramine
491	NHCl2	dichloroamine
492	CH2F2	Methane, difluoro-	1A1	C2v
493	SiH2F2	difluorosilane
494	CH2Cl2	Methylene chloride	1A1	C2v
495	CH2BrCl	Methane, bromochloro-	1A'	Cs
496	CH2Br2	dibromomethane	1A1	C2v
497	CH3MgBr	Methyl Magnesium Bromide
498	CH2CHF	Ethene, fluoro-	1A'	Cs
499	CH2FOH	fluoromethanol
500	C2H5Br	Ethyl bromide	1A'	Cs
501	C4	Carbon tetramer	3Σg	D∞h
502	C4	Carbon tetramer
503	C4H2+	diacetlyene cation	2Πg	D∞h
504	C4H4	Tetrahedrane
505	C4H6	1-Methylcyclopropene	1A	C1
506	CH2CHCH2CH3	1-Butene	1A	C1
507	CH3CH2CH2CH3	Butane	1Ag	Anti
508	As4	Arsenic tetramer	1A1	Td
509	H2CNCN	cyanamide, methylene
510	HNCCNH	Ethenediimine
511	C2H5CN	ethyl cyanide	1A'	Cs
512	H2NCHCHNH2	diaminoethylene
513	N(SiH3)3	trisilylamine
514	Na2O2	disodium dioxide
515	ONNO	NO dimer	1Ag	trans C2H
516	ONNO	NO dimer	1A1	cis C2V
517	CS3--	Carbonotrithioate
518	SO3	Sulfur trioxide	1A1'	D3h
519	SO3--	Sulfate dianion
520	S4	Sulfur tetramer
521	S4	Sulfur tetramer
522	S4	Sulfur tetramer
523	HNO3	Nitric acid	1A'	Cs
524	C3H2O	Propadienal
525	C3H2O	Propadienal
526	C2H2O2	Ethanedial	1Ag	C2h
527	CH3NCO	methylisocyante
528	HOCH2CN	cyanomethanol
529	CH3NO2	Methane, nitro-	1A'	Cs
530	H3AlO3	Aluminum hydroxide
531	CH2CHCHO	Acrolein	1A'	Cs
532	CH2CHCHO	Acrolein
533	CH2C(OH)NH2	1-amino vinyl alchohol
534	CH3C(OH)=NH	Ethaninidic acid
535	CH3CSNH2	Ethanethioamide
536	CH3CH2CHO	Propanal	1A'	Cs
537	C3H7OH	1-Propanol
538	Li2F2	Lithium fluoride dimer
539	CF2O	Carbonic difluoride	1A1	C2v
540	CF2O+	Carbonic difluoride cation
541	BF3	Borane, trifluoro-	1A'	D3h
542	BF3+	boron trifluoride cation
543	AlF3	Aluminum trifluoride	1A1'	D3h
544	BClF2	Chlorodifluoroborane
545	BCl3	Borane, trichloro-	1A1'	D3h
546	BCl3+	Boron Trichloride cation
547	GaF3	Gallium trifluoride	1A1'	D3h
548	GaCl3	Gallium trichloride	1A1'	D3h
549	CF2Cl	difluorochloromethyl radical
550	CFCl2	dichlorofluoromethyl radical
551	CBr3	tribromomethyl radical
552	SSCl2	Thiothionyl chloride
553	NF3	Nitrogen trifluoride	1A1	C3v
554	NCl3	nitrogen trichloride	1A1	C3v
555	NBr3	Nitrogen Tribromide	1A1	C3v
556	HClO3	Chloric Acid	1A'	Cs
557	HClO3	Chloric Acid	1A	C1
558	CHF3	Methane, trifluoro-	1A1	C3v
559	SiHF3	trifluorosilane
560	CHBrF2	Methane, bromodifluoro-	1A'	Cs
561	CHBrCl2	Methane, bromodichloro-	1A'	Cs
562	CHBr2F	dibromofluoromethane
563	AsF3H+	Arsenic trifluoride, protonated
564	CHBrCHBr	Ethene, 1,2-dibromo-, (E)-
565	CHBrCHBr	Ethene, 1,2-dibromo-, (Z)-
566	C2H4F2	1,2-difluoroethane	1Ag	C2H anti
567	C2H4F2	1,2-difluoroethane	1A	C2 gauche
568	CH3CHF2	Ethane, 1,1-difluoro-	1A'	Cs
569	CH2BrCH2Cl	1-bromo-2-chloroethane
570	CH2BrCH2Cl	1-bromo-2-chloroethane
571	CH2BrCH2Br	Ethane, 1,2-dibromo-	1Ag	C2h
572	CH2BrCH2Br	Ethane, 1,2-dibromo-	1A	C2
573	CH2CHCH2F	Allyl Fluoride
574	CH2CHCH2F	Allyl Fluoride
575	CH3CHCHF	trans-1-Fluoro-1-propene
576	CH2FCH2OH	2-fluoroethanol
577	CH2FCH2CH3	1-Fluoropropane
578	CH3CHFCH3	2-Fluoropropane	1A'	Cs
579	B5H9	pentaborane9
580	C5H4	pentatetraene
581	C5H8	Bicyclo[1.1.1]pentane
582	C4H5N	Pyrrole	1A1	C2v
583	C3O2	Carbon suboxide	1ΣG	D∞h
584	B2O3	diboron trioxide
585	B2O3	diboron trioxide
586	CHOOCHO	diformyl ether
587	C3H3NO	Isoxazole	1A'	Cs
588	C3H3NS	Thiazole
589	C4H4Se	selenophene
590	HCOOC2H5	Ethyl formate	1A'	Cs
591	C2H6O2S	Dimethyl sulfone	1A1	C2v
592	C4H8S	Thiophene, tetrahydro-	1A	C1
593	C4H10O	Methyl propyl ether	1A	C1
594	C4H9SH	1-Butanethiol
595	CF3Cl	Methane, chlorotrifluoro-	1A1	C3v
596	CF2Cl2	difluorodichloromethane	1A1	C2v
597	CF3Br	Bromotrifluoromethane	1A1	C3v
598	GeF4	Germanium tetrafluoride	1A1	Td
599	CBrCl2F	bromodichlorofluoromethane
600	CBr2ClF	dibromochlorofluoromethane
601	CBr2Cl2	dibromodichloromethane	1A1	C2v
602	CBr3Cl	tribromochloromethane	1A1	C3v
603	CBr4	Carbon tetrabromide	1A1	Td
604	GeBr4	Germanium tetrabromide
605	SF4	Sulfur tetrafluoride	1A1	C2v
606	SeF4	Selenium tetrafluoride
607	SCl4	Sulfur tetrachloride
608	CH2ClCCCl	1,3-dichloropropyne
609	CHCl2CCH	3,3-dichloropropyne
610	CHCl2CHO	dichloroacetaldehyde
611	CHF2CH2F	Ethane, 1,1,2-trifluoro	1A	C1
612	CHF2CH2F	Ethane, 1,1,2-trifluoro	1A'	Cs
613	CH2CClCHCH2	1,3-Butadiene, 2-chloro-
614	CH2FCH2CH2F	1,3-difluoropropane
615	CH3CCl2CH3	Propane, 2,2-dichloro-	1A1	C2v
616	C2H2N2O	Furazan
617	C6H6	Prismane
618	C6H6	1,2,4,5-Hexatetraene	1Ag	C2h
619	C6H6	Dewar Benzene
620	C6H7+	benzene, protonated	1A1	C2v
621	N3P3	1,3,5,2,4,6-Triazatriphosphorine
622	C3H2O3	vinylene carbonate
623	C5H6O	2H-Pyran
624	C5H6O	Pentadienal
625	C4H6O2	γ–Butyrolactone	1A	C1
626	C3H6O3	1,3,5-Trioxane	1A1	C1
627	C5H10O	3-Pentanone	1A1	C2v
628	C4F2	difluorobutadiyne
629	C2ClF3	Ethene, chlorotrifluoro-
630	C2Br4	tetrabromoethene
631	SiF5-	silicon pentafluoride anion
632	CH2ClCCl3	1,1,1,2-tetrachloroethane
633	CHCl2CHCl2	Ethane, 1,1,2,2-tetrachloro-
634	CH2BrCBr3	1,1,1,2-tetrabromo ethane
635	CH(CN)3	tricyanomethane
636	HN=C=C(CN)2	Dicyanoketenimine
637	C6H12O	Oxepane
638	F2CCCF2	tetrafluoroallene
639	SF6	Sulfur Hexafluoride	1A1G	Oh
640	C6H5CHO	benzaldehyde	1A'	Cs
641	C2Cl6	hexachloroethane	1A1g	D3d
642	C6H5NO	nitrosobenzene	1A'	Cs
643	C3F6	hexafluoropropene
644	C8H18O	1-Octanol
645	C10H10	bullvalene

Species NOT done yet

count	Species	Name	file name	problem
1	D-	Deuterium atom anion	d-
2	D+	Deuterium atom cation	d+
3	H-	Hydrogen atom anion	h-
4	H2-	hydrogen diatomic anion	h2-
5	H2+	Hydrogen cation	h2+
6	H3+	hydrogen trimer cation	h3+
7	He-	Helium atom anion	he-
8	HeH	Helium hydride	heh
9	Li-	Lithium atom anion	li-
10	Li+	Lithium atom cation	li+
11	Na-	Sodium atom anion	na-
12	Na+	Sodium atom cation	na+
13	K	Potassium atom	k
14	K-	Potassium atom anion	k-
15	K+	Potassium atom cation	k+
16	Cu	Copper atom	cu
17	Cu-	Copper atom anion	cu-
18	Cu+	Copper atom cation	cu+
19	LiH-	lithium hydride anion	lih-
20	LiH+	lithium hydride cation	lih+
21	NaH	sodium hydride	nah
22	NaH-	sodium hydride anion	nah-
23	NaH+	sodium hydride cation	nah+
24	KH	Potassium hydride	kh
25	KH+	Potassium hydrogen cation	kh+
26	CuH	Copper monohydride	cuh
27	Be-	Beryllium atom anion	be-
28	Mg-	Magnesium atom anion	mg-
29	Ca-	Calcium atom anion	ca-
30	Ca+	Calcium atom cation	ca+
31	Zn	Zinc atom	zn
32	Zn-	Zinc atom anion	zn-
33	Zn+	Zinc atom cation	zn+
34	BeH	beryllium monohydride	beh
35	BeH-	berylium monohydride anion	beh-
36	BeH+	beryllium monohydride cation	beh+
37	MgH-	magnesium monohydride anion	mgh-
38	MgH+	magnesium monohydride cation	mgh+
39	CaH	Calcium monohydride	cah
40	CaH+	Calcium monohydride cation	cah+
41	TiH	Titanium monohydride	tih
42	ZnH	Zinc monohydride	znh
43	BeH2	beryllium dihydride	beh2
44	MgH2	magnesium dihydride	mgh2
45	CaH2	Calcium Hydride	cah2
46	ZnH2	Zinc hydride	znh2
47	B-	Boron atom anion	b-
48	Sc	Scandium atom	sc
49	Sc+	Scandium cation	sc+
50	BH-	boron monohydride anion	bh-
51	BH+	boron monohydride cation	bh+
52	AlH-	aluminum monohydride anion	alh-
53	AlH+	aluminum monohydride cation	alh+
54	ScH	Scandium monohydride	sch
55	ScH+	Scandium monohydride cation	sch+
56	BH2-	boron dihydride anion	bh2-
57	BH2+	Boron dihydride cation	bh2+
58	AlH2-	aluminum dihydride anion	alh2-
59	AlH2+	aluminum dihydride cation	alh2+
60	BH3-	boron trihydride anion	bh3-
61	AlH3+	aluminum trihydride cation	alh3+
62	ScH3	Scandium trihydride	sch3
63	GaH3	Gallium trihydride	gah3
64	BH4	borohydride	bh4
65	AlH4-	Aluminum tetrahydride anion	alh4-
66	C-	Carbon atom anion	c-
67	Ti	Titanium atom	ti
68	Ti-	Titanium atom anion	ti-
69	Ti+	Titanium atom cation	ti+
70	Sn	Tin atom	sn
71	Sn+	Tin cation	sn+
72	CH-	methylidyne anion	ch-
73	CH+	Methylidyne cation	ch+
74	SiH-	silicon monohydride anion	sih-
75	SiH+	silicon monohydride cation	sih+
76	GeH+	Germaniun monohyrdide cation	geh+
77	CH2+	methylene cation	ch2+
78	SiH2-	silicon dihydride anion	sih2-
79	SiH2+	silicon dihydride cation	sih2+
80	GeH2-	germylene anion	geh2-
81	CH3-	methyl anion	ch3-
82	SiH3-	Silyl anion	sih3-
83	CD4	methane-d4	cd4
84	CH2D2	methane-d2	ch2d2
85	CH3D	methane-d	ch3d
86	CH4-	Methane anion	ch4-
87	CH4+	Methane cation	ch4+
88	CHD3	methane-d3	chd3
89	SiH4+	Silane cation	sih4+
90	SnH4	Stannane	snh4
91	N-	Nitrogen atom anion	n-
92	P-	Phosphorus atom anion	p-
93	P+	Phosphorus atom cation	p+
94	V	Vanadium atom	v
95	V+	Vanadium atom cation	v+
96	Sb	Antimony atom	sb
97	NH-	Imidogen anion	nh-
98	NH+	imidogen cation	nh+
99	PH-	phosphorus monohydride anion	ph-
100	PH+	phosphorus monohydride cation	ph+
101	AsH+	Arsenic monohydride cation	ash+
102	SbH	Antimony monohydride	sbh
103	NH2-	amino anion	nh2-
104	PH2-	Phosphino anion	ph2-
105	PH2+	Phosphino cation	ph2+
106	AsH2	Arsenic dihydride	ash2
107	AsH2+	Arsenic dihydride cation	ash2+
108	NH3-	Ammonia anion	nh3-
109	NH3+	ammonia cation	nh3+
110	SbH3	Stibine	sbh3
111	NH4+	ammonium cation	nh4+
112	PH4+	phosphonium cation	ph4+
113	O-	Oxygen atom anion	o-
114	S-	Sulfur atom anion	s-
115	S+	Sulfur atom cation	s+
116	Cr	Chromium atom	cr
117	Te	Tellurium atom	te
118	Te+	Tellurium atom cation	te+
119	OH-	hydroxide anion	oh-
120	CrH	Chromium hydride	crh
121	CrH+	Chromium hydride cation	crh+
122	TeH	Telluryl radical	teh
123	H2S-	Hydrogen sulfide anion	h2s-
124	H2S+	Hydrogen sulfide cation	h2s+
125	H2Te	Hydrogen Telluride	h2te
126	H3O+	hydronium cation	h3o+
127	F-	Fluorine atom anion	f-
128	Cl-	Chlorine atom anion	cl-
129	Mn	Manganese atom	mn
130	I	Iodine atom	iodine
131	I-	Iodine atom anion	iodine-
132	I+	Iodine atom cation	iodine+
133	HI	Hydrogen iodide	hi
134	HI+	Hydrogen iodide cation	hi+
135	H2F+	dihydrogen fluoride cation	h2f+
136	H2I+	Iodonium	h2i+
137	Ne-	Neon atom anion	ne-
138	Ar-	Argon atom anion	ar-
139	Ar+	Argon atom cation	ar+
140	Fe	Iron atom	fe
141	Xe	Xenon atom	xe
142	NeH	neon hydrogen	neh
143	NeH+	neon hydrogen cation	neh+
144	XeH+	Xenon, protonated	xeh+
145	H2Ar	H2 Ar dimer	h2ar
146	Co	Cobalt atom	cobalt
147	Ni	Nickel atom	ni
148	Li2	Lithium diatomic	li2
149	Li2-	lithium diatomic anion	li2-
150	Li2+	lithium diatomic cation	li2+
151	NaLi-	lithium sodium anion	lina-
152	NaLi+	lithium sodium cation	lina+
153	LiK	Lithium Potassium	lik
154	Na2+	sodium diatomic cation	na2+
155	NaK	Sodium Potassium	nak
156	NaK+	Sodium Potassium diatomic cation	nak+
157	K2	Potassium diatomic	k2
158	Cu2	Copper diatomic	cu2
159	LiBe	Lithium Beryllium	libe
160	LiMg	Lithium magnesium	limg
161	NaBe	Sodium Beryllium	nabe
162	NaMg	Sodium Magnesium	namg
163	Be2	Beryllium diatomic	be2
164	Be2-	Beryllium diatomic anion	be2-
165	Be2+	Beryllium diatomic cation	be2+
166	BeMg	Beryllium Magnesium	bemg
167	Mg2	Magnesium diatomic	mg2
168	Mg2-	magnesium diatomic anion	mg2-
169	Mg2+	magnesium diatomic cation	mg2+
170	Ca2	Calcium diatomic	ca2
171	LiB	Lithium boride	lib
172	NaAl	Sodium aluminum	naal
173	BeB	Beryllium monoboride	beb
174	B2	Boron diatomic	b2
175	B2-	Boron diatomic anion	b2-
176	B2+	Boron diatomic cation	b2+
177	BAl	Boron Aluminum	bal
178	Al2	Aluminum diatomic	al2
179	Al2-	aluminum diatomic anion	al2-
180	Al2+	aluminum diatomic cation	al2+
181	BGa	Boron Gallium	bga
182	AlGa	Aluminum Gallium	alga
183	Ga2	Gallium diatomic	ga2
184	LiBH4	Lithium borohydride	libh4
185	HBHHBH	Diborane(4) C2V	hbhhbh
186	Al2H6	dialane	al2h6
187	Ga2H6	digallane	ga2h6
188	LiC	Lithium Carbide	lic
189	BeC	Beryllium Carbide	bec
190	BC	boron monocarbide	bc
191	BC-	boron monocarbide anion	bc-
192	BC+	boron monocarbide cation	bc+
193	AlC	Aluminum carbide	alc
194	C2	Carbon diatomic	c2
195	C2-	carbon diatomic anion	c2-
196	C2+	carbon diatomic cation	c2+
197	SiC	silicon monocarbide	sic
198	SiC-	silicon monocarbide anion	sic-
199	SiC+	silicon monocarbide cation	sic+
200	Si2-	silcon diatomic anion	si2-
201	Si2+	silcon diatomic cation	si2+
202	Ge2	Germanium diatomic	ge2
203	C2H	Ethynyl radical	c2h
204	C2H+	Ethynyl cation	c2h+
205	ZnCH2	Zinc methylene	znch2
206	CCH2	vinylidene	vinylidene
207	CuCH3	monomethyl copper	cuch3
208	ZnCH3	Zinc monomethyl	znch3
209	CH2BH	methyleneborane	ch2bh
210	C2H3-	vinyl anion	c2h3-
211	C2H4-	Ethylene anion	c2h4-
212	C2H4+	Ethylene cation	c2h4+
213	CH3CH	methylmethylene	ch3ch
214	CH2SiH2	silaethylene	ch2sih2
215	CH3BH2	methylborane	ch3bh2
216	C2H5-	Ethyl anion	c2h5-
217	C2H5+	Ethyl cation	c2h5+
218	C2H6+	ethane cation	c2h6+
219	CH3SiH3	methyl silane	ch3sih3
220	GeH3CH3	methyl germane	geh3ch3
221	C2H7+	Ethane, protonated	c2h7+
222	LiN+	Lithium Nitride cation	lin+
223	BeN	Beryllium mononitride	ben
224	BeN-	Beryllium mononitride anion	ben-
225	BeN+	Beryllium mononitride cation	ben+
226	BN-	boron nitride anion	bn-
227	AlN-	aluminum mononitride anion	aln-
228	AlN+	aluminum mononitride cation	aln+
229	BP	Boron monophosphide	bp
230	AlP	Aluminum monophosphide	alp
231	GaN	Gallium mononitride	gan
232	GaP	Gallium monophosphide	gap
233	BN+	boron nitride cation	bn+
234	CN-	cyanide anion	cn-
235	CN+	Cyano cation	cn+
236	CP	Carbon monophosphide	cp
237	CP-	carbon monophosphide anion	cp-
238	CP+	carbon monophosphide cation	cp+
239	SiN	Silicon nitride	sin
240	SiN-	silicon mononitride anion	sin-
241	SiN+	silicon mononitride cation	sin+
242	SiP-	Silicon monophosphide anion	sip-
243	SiP+	Silicon monophosphide cation	sip+
244	TiN	Titanium mononitride	tin
245	N2-	nitrogen diatomic anion	n2-
246	N2+	diatomic nitrogen cation	n2+
247	PN-	phosphorus nitride anion	pn-
248	PN+	phosphorus nitride cation	pn+
249	P2	Phosphorus diatomic	p2
250	P2-	phosphorus diatomic anion	p2-
251	P2+	phosphorus diatomic cation	p2+
252	AsN	Arsenic mononitride	asn
253	AsP	Arsenic monophosphide	asp
254	SbN	Antimony nitride	sbn
255	As2	Arsenic diatomic	as2
256	HNB	hydrogen nitrogen boron	hnb
257	HNC	hydrogen isocyanide	hnc
258	HCN-	Hydrogen cyanide anion	hcn-
259	HCP	Phosphaethyne	hcp
260	NNH	Dinitrogen monohydride	nnh
261	HPO	Hydrogen phosphorus oxide	hpo
262	HPO+	Hydrogen phosphorus oxide cation	hpo+
263	CNH2	Aminomethylidyne radical	cnh2
264	CNH2+	N-protonated hydrogen isocyanide	cnh2+
265	H2CN	Dihydrogen cyanide radical	h2cn
266	H2CN+	hydrocyanonium cation	h2cn+
267	HCNH	methyleneazane	hcnh
268	HCNH+	N-protonated HCN	hcnh+
269	N2H2	(E)-diazene	n2h2
270	N2H2	(Z)-Diazene	n2h2z
271	N2H2+	trans-diazene cation	n2h2+
272	CH2PH	Phosphaethene	ch3p
273	CH2NH2+	methyleneamine cation	ch2nh2+
274	N2H4	Hydrazine	n2h4
275	N2H4+	hydrazine cation	n2h4+
276	P2H4	Diphosphine	p2h4
277	CH3NH2+	methyl amine cation	ch3nh2+
278	CH3PH2	Methyl phosphine	ch3ph2
279	N2H5+	protonated hydrazine	n2h5+
280	BH3NH3	borane ammonia	bh3nh3
281	CH3NH3+	protonated methylamine	ch3nh3+
282	CH3PH3+	methyl phosphine, protonated	ch3ph3+
283	NH3NH3	Ammonia Dimer	nh3nh3
284	LiO	lithium oxide	lio
285	LiO-	lithium oxide anion	lio-
286	LiO+	lithium oxide cation	lio+
287	LiS	Lithium monosulfide	lis
288	LiS+	Lithium sulfide cation	lis+
289	NaO	sodium monoxide	nao
290	NaO-	sodium oxide anion	nao-
291	NaO+	sodium oxide cation	nao+
292	KO	Potassium monoxide	ko
293	KO+	Potassium monoxide cation	ko+
294	NaS	Sodium sulfide	nas
295	CuO	Copper Monoxide	cuo
296	BeO	beryllium oxide	beo
297	BeO-	Beryllium monoxide anion	beo-
298	BeO+	Beryllium monoxide cation	beo+
299	BeS	beryllium sulfide	bes
300	MgO	magnesium oxide	mgo
301	MgO-	magnesium oxide anion	mgo-
302	MgO+	magnesium oxide cation	mgo+
303	MgS	magnesium sulfide	mgs
304	MgS-	magnesium sulfide anion	mgs-
305	MgS+	magnesium sulfide cation	mgs+
306	ZnO	zinc monoxide	zno
307	ZnS	Zinc sulfide	zns
308	BeS-	Beryllium monosulfide anion	bes-
309	BeS+	Beryllium monosulfide cation	bes+
310	AlO	Aluminum monoxide	alo
311	AlO-	Aluminum monoxide anion	alo-
312	AlO+	aluminum monoxide cation	alo+
313	BS	boron sulfide	bs
314	BS-	boron monosulfide anion	bs-
315	BS+	boron monosulfide cation	bs+
316	AlS	Aluminum sulfide	als
317	AlS-	aluminum monosulfide anion	als-
318	AlS+	aluminum monosulfide cation	als+
319	ScO	Scandium monoxide	sco
320	BO+	boron monoxide cation	bo+
321	CO-	carbon monoxide anion	co-
322	CS-	carbon monosulfide anion	cs-
323	CS+	carbon monosulfide cation	cs+
324	SiO-	silicon monoxide anion	sio-
325	SiO+	silicon monoxide cation	sio+
326	SiS-	silicon monosulfide anion	sis-
327	SiS+	silicon monosulfide cation	sis+
328	TiO	Titanium monoxide	tio
329	CSe-	Carbon monoselenide anion	cse-
330	CSe+	Carbon monoselenide cation	cse+
331	GeO+	Germanium monoxide cation	geo+
332	GeS	Germanium monosulfide	ges
333	NS	Mononitrogen monosulfide	ns
334	NS-	nitrogen sulfide anion	ns-
335	NS+	nitrogen sulfide cation	ns+
336	PO	Phosphorus monoxide	po
337	PO-	phosphorus monoxide anion	po-
338	PO+	phosphorus monoxide cation	po+
339	PS-	phosphorus monosulfide anion	ps-
340	PS+	phosphorus monosulfide cation	ps+
341	VO	Vanadium monoxide	vo
342	AsO	Arsenic monoxide	aso
343	NSe	Nitrogen monoselenide	nse
344	AsS	Arsenic monosulfide	ass
345	PSe	Phosphorus monoselenide	pse
346	AsSe	Arsenic monoselenide	asse
347	O2-	oxygen diatomic anion	o2-
348	O2+	diatomic oxygen cation	o2+
349	SO-	sulfur monoxide anion	so-
350	S2-	sulfur diatomic anion	s2-
351	S2+	sulfur diatomic cation	s2+
352	SeO-	selenium monoxide anion	seo-
353	SeO+	selenium monoxide cation	seo+
354	SeS	Selenium monosulfide	ses
355	SeS-	selenium monosulfide anion	ses-
356	SeS+	selenium monosulfide cation	ses+
357	TeO	Tellurium monoxide	teo
358	Se2-	selenium diatomic anion	se2-
359	Se2+	selenium diatomic cation	se2+
360	Te2	Tellurium diatomic	te2
361	NaOH	sodium hydroxide	naoh
362	KOH	Potassium hydroxide	koh
363	MgOH	magnesium hydroxide	mgoh
364	CaOH	Calcium monohydroxide	caoh
365	COH+	Carbon Monoxide, protonated	coh+
366	HCS	Thioformyl radical	hcs
367	HCS-	Thioformyl anion	hcs-
368	HCS+	Thioformyl cation	hcs+
369	HNO-	Nitrosyl hydride anion	hno-
370	NOH	Hydroxyimidogen	noh
371	NOH+	O-protonated nitric oxide	noh+
372	HNS	Sulfur imide	hns
373	HNS-	Sulfur imide anion	hns-
374	HO2-	Hydroperoxy anion	ho2-
375	HO2+	Hydroperoxy cation	ho2+
376	HS2	Thiosulfeno radical	hs2
377	HOCH	hydroxycarbene	hoch
378	H2CS+	thioformaldehyde cation	h2cs+
379	H2NO	nitroxide	h2no
380	H2O2+	Hydrogen peroxide cation	h2o2+
381	H2S2	Disulfane	h2s2
382	H2S2+	hydrogen disulfide cation	h2s2+
383	CH2OH	Hydroxymethyl radical	ch2oh
384	CH2OH+	hydroxymethyl cation	ch2oh+
385	CH3O	Methoxy radical	ch3o
386	CH3O-	methoxy anion	ch3o-
387	CH3O+	Methoxy cation	ch3o+
388	CH3S	thiomethoxy	ch3s
389	H2CSH+	Thioformaldehyde, protonated	h2csh+
390	NH3O	Ammonia Oxide	nh3o
391	H2POH	Phosphinous acid	h2poh
392	H3PO	Phosphine oxide	h3po
393	H3O2+	hydrogen peroxide, protonated	h3o2+
394	CH3OH-	Methyl alcohol anion	ch3oh-
395	CH3SH	Methanethiol	ch3sh
396	CH3SH+	Methanethiol cation	ch3sh+
397	CH3SeH	Methane selenol	ch3seh
398	H2OH2O	water dimer	h2oh2o
399	CH3OH2+	Methanol, protonated	ch3oh2+
400	CH3SH2+	protonated methylsulfide	ch3sh2+
401	H2ONH3	Water Ammonia Dimer	h2onh3
402	LiCl-	lithium chloride anion	licl-
403	LiCl+	lithium chloride cation	licl+
404	NaF	sodium fluoride	naf
405	NaF-	sodium fluoride anion	naf-
406	KF	Potassium Fluoride	kf
407	NaCl	Sodium Chloride	nacl
408	NaCl-	sodium chloride anion	nacl-
409	NaCl+	sodium chloride cation	nacl+
410	KCl	Potassium Chloride	kcl
411	CuF	Copper monofluoride	cuf
412	LiBr-	lithium bromide anion	libr-
413	LiBr+	lithium bromide cation	libr+
414	CuCl	Copper monochloride	cucl
415	NaBr	Sodium Bromide	nabr
416	NaBr-	sodium bromide anion	nabr-
417	NaBr+	sodium bromide cation	nabr+
418	KBr	Potassium Bromide	kbr
419	LiI	Lithium Iodide	lii
420	NaI	Sodium Iodide	nai
421	KI	Potassium Iodide	ki
422	LiF-	lithium fluoride anion	lif-
423	BeF	Beryllium monofluoride	bef
424	BeF-	Beryllium monofluoride anion	bef-
425	BeF+	Beryllium monofluoride cation	bef+
426	BeCl	beryllium monochloride	becl
427	MgF	Magnesium monofluoride	mgf
428	MgF-	magnesium fluoride anion	mgf-
429	MgF+	magnesium fluoride cation	mgf+
430	CaF	Calcium monofluoride	caf
431	MgCl	magnesium monochloride	mgcl
432	MgCl-	magnesium monochloride anion	mgcl-
433	MgCl+	magnesium monochloride cation	mgcl+
434	CaCl	calcium monochloride	cacl
435	TiCl	Titanium Monochloride	ticl
436	ZnF	Zinc monofluoride	znf
437	ZnF-	Zinc monofluoride anion	znf-
438	ZnF+	Zinc monofluoride cation	znf+
439	ZnCl	Zinc monochloride	zncl
440	BeCl-	beryllium monochloride anion	becl-
441	BeCl+	beryllium monochloride cation	becl+
442	BF-	Boron monofluoride anion	bf-
443	BF+	Boron monofluoride cation	bf+
444	AlF-	Aluminum monofluoride anion	alf-
445	AlF+	Aluminum monofluoride cation	alf+
446	BCl	boron monochloride	bcl
447	BCl-	boron monochloride anion	bcl-
448	BCl+	boron monochloride cation	bcl+
449	AlCl	Aluminum monochloride	alcl
450	AlCl-	aluminum monochloride anion	alcl-
451	AlCl+	aluminum monochloride cation	alcl+
452	ScF	Scandium monofluoride	scf
453	BBr	Boron monobromide	bbr
454	GaF+	Gallium monofluoride cation	gaf+
455	GaCl+	Gallium monochloride cation	gacl+
456	AlI	Aluminum monoiodide	ali
457	CF+	carbon monofluoride cation	cf+
458	CCl	carbon monochloride	ccl
459	CCl-	carbon monochloride anion	ccl-
460	CCl+	carbon monochloride cation	ccl+
461	SiF	silicon monofluoride	sif
462	SiF-	silicon monofluoride anion	sif-
463	SiF+	silicon monofluoride cation	sif+
464	SiCl-	silicon monochloride anion	sicl-
465	SiCl+	silicon monochloride cation	sicl+
466	GeF+	Germanium monofluoride cation	gef+
467	NF	nitrogen fluoride	nf
468	NF-	nitrogen monofluorine anion	nf-
469	NF+	nitrogen monofluoirde cation	nf+
470	NCl-	nitrogen monochloride anion	ncl-
471	NCl+	nitrogen monochloride cation	ncl+
472	PF	phosphorus monofluoride	pf
473	PF-	phosphorus monofluoride anion	pf-
474	PF+	phosphorus monofluoride cation	pf+
475	PCl	phosphorus chloride	pcl
476	PCl-	phosphorus monochloride anion	pcl-
477	PCl+	phosphorus monochloride cation	pcl+
478	AsF	Arsenic monofluoride	asf
479	NBr	nitrogen monobromide	nbr
480	AsCl	Arsenic monochloride	ascl
481	SbF	Antimony monofluoride	sbf
482	SbCl	Antimony monochloride	sbcl
483	FO	Oxygen monofluoride	fo
484	FO-	flourine oxide anion	fo-
485	FO+	fluorine monoxide cation	fo+
486	ClO-	chlorine monoxide anion	clo-
487	SF-	sulfur monofluoride anion	sf-
488	SCl	sulfur monochloride	scl
489	SCl-	sulfur monochloride anion	scl-
490	BrO-	Bromine monoxide anion	bro-
491	SeF	Selenium monofluoride	sef
492	SeCl	Selenium monochloride	secl
493	IO	Iodine monoxide	io
494	F2-	flourine diatomic anion	f2-
495	ClF-	clorine monofluoride anion	clf-
496	Cl2-	chlorine diatomic anion	cl2-
497	BrF-	bromine fluoride anion	brf-
498	BrF+	bromine fluoride cation	brf+
499	BrCl-	bromine chloride anion	brcl-
500	BrCl+	bromine chloride cation	brcl+
501	IF	Iodine monofluoride	if
502	ICl	Iodine monochloride	icl
503	IBr	Iodine monobromide	ibr
504	I2	Iodine diatomic	i2
505	I2+	Iodine diatomic cation	i2+
506	HCCl	Chloromethylene	hccl
507	CHBr	bromomethylene	chbr
508	DOCl	Hypochlorous acid-d	docl
509	HOBr	Hypobromous acid	hobr
510	HOBr+	Hypobromous acid cation	hobr+
511	HOI	Hypoiodous acid	hoi
512	FHF	Hydrogen difluoride	fhf
513	FHF-	Hydrogen difluoride anion	fhf-
514	NH2F	monofluoroamine	nh2f
515	H2F2	Hydrogen fluoride dimer	h2f2
516	CD3F	methylfluoride-d3	cd3f
517	CH3F	Methyl fluoride	ch3f
518	CD3Cl	methyl chloride d3	cd3cl
519	CH3Cl+	Methyl chloride cation	ch3cl+
520	SiH3Br	bromosilane	sih3br
521	CH3I	methyl iodide	ch3i
522	SiH3I	Silyl Iodide	sih3i
523	Ne2	Neon diatomic	ne2
524	Ne2+	Neon diatomic cation	ne2+
525	Ar2+	Argon diatomic cation	ar2+
526	Li3	Lithium trimer	li3
527	Li3+	Lithium trimer cation	li3+
528	C3+	carbon trimer cation	c3+
529	C3H3	cyclopropenyl radical	cpr
530	C3H3	Propargyl radical	propargyl
531	C3H3-	Propargyl anion	c3h3-
532	C3H3+	cyclopropenyl cation	cpr+
533	C3H3+	Propargyl cation	c3h3+
534	C3H5+	Allyl cation	allyl+
535	CH3CHCH	1-propenyl radical	ch3chch
536	Zn(CH3)2	dimethyl zinc	dmz
537	C3H7+	cyclopropane, protonated	c3h7+
538	CH3CHCH3+	Isopropyl cation	prop2yl+
539	SiH2(CH3)2	dimethylsilane	dms
540	LiCN	lithium cyanide	licn
541	NaCN	Sodium Cyanide	nacn
542	KCN	Potassium cyanide	kcn
543	CuCN	Copper cyanide	cucn
544	CN2	3H-Diazirin-3-ylidene	cn2
545	NCN	Cyanoimidogen	ncn
546	N3	azide radical	n3
547	N3-	azide anion	n3-
548	N3+	azide cation	n3+
549	HCCN	cyanomethylene	hccn
550	HCNN	diazomethyl radical	hcnn
551	CH2N2	diazirine	ch2n2
552	CH2NN	diazomethane	ch2nn
553	NH2CN	cyanamide	cyanamide
554	CH3CN+	Acetonitrile cation	ch3cn+
555	CH3NC	methyl isocyanide	ch3nc
556	HNCNH2+	diiminomethane, protonated	hncnh2+
557	NCNH3+	Cyanamide, protonated	ncnh3+
558	CH2CHNH	vinylazine	ch2chnh
559	CH3CHN	methylmethaniminyl radical	ch3chn
560	NHCHNH2	aminomethanimine	cn2h4
561	C2H5N	Aziridine	c2h5n
562	CH2CHNH2	aminoethene	aminoethene
563	CH2NCH3	N-methylmethanimine	nmm
564	CH3CHNH	ethanimine	ethanimine
565	NH2BHNH2	diaminoborane	nh2bhnh2
566	C2H5NH+	Protonated Aziridine	c2h5nh+
567	NH2CH2NH2	diaminomethane	nh2ch2nh2
568	CH3NHCH3	Dimethylamine	ch3nhch3
569	CH3PHCH3	dimethylphosphine	ch3phch3
570	NH2CH2NH3+	diaminoethane, protonated	pdam
571	(CH3)2NH2+	dimethylammonium cation	dmam
572	CH3CH2NH3+	ethylamine, protonated	pea
573	Li2O	dilithium oxide	li2o
574	Li2O+	dilithium oxide cation	li2o+
575	Li2S	dilithium sulfide	li2s
576	Na2O	disodium monoxide	na2o
577	CCO	Dicarbon monoxide	cco
578	CNO-	fulminate	cno-
579	NCO-	cyanate	nco-
580	SCN	thiocyanato radical	scn
581	SCN-	thiocyanide anion	scn-
582	BO2	Boron dioxide	bo2
583	BO2-	Boron dioxide anion	bo2-
584	BO2+	Boron dioxide cation	bo2+
585	N2O-	Nitrous oxide anion	n2o-
586	N2O+	Nitrous oxide cation	n2o+
587	NNS	Nitrogen sulfide	nns
588	PPO	Phosphorus oxide phosphide	ppo
589	CO2-	Carbon dioxide anion	co2-
590	CO2+	Carbon dioxide cation	co2+
591	OCS+	Carbonyl sulfide cation	cos+
592	SiO2	silicon dioxide	sio2
593	CS2-	Carbon disulfide anion	cs2-
594	CS2+	Carbon disulfide cation	cs2+
595	TiO2	Titanium dioxide	tio2
596	SiS2	Silicon disulfide	sis2
597	GeS2	Germanium disulfide	ges2
598	CSe2	Carbon diselenide	cse2
599	SCTe	Carbon sulfide Telluride	scte
600	NO2	Nitrogen dioxide	no2
601	NO2-	Nitrogen dioxide anion	no2-
602	NO2+	Nitrogen dioxide cation	no2+
603	PO2	Phosphorus dioxide	po2
604	PO2-	Phosphorus dioxide anion	po2-
605	PO2+	Phosphorus dioxide cation	po2+
606	AsO2	Aresenic dioxide	aso2
607	O3	Ozone	o3
608	O3-	Ozone anion	o3-
609	O3+	Ozone cation	o3+
610	SO2-	Sulfur dioxide anion	so2-
611	SO2+	Sulfur dioxide cation	so2+
612	S3-	Sulfur trimer anion	s3-
613	S3+	Sulfur trimer cation	s3+
614	SeO2+	Selenium dioxide cation	seo2+
615	TeO2	Tellurium Dioxide	teo2
616	CS2H+	Carbon disulfide, protonated	cs2h+
617	HNCO	Isocyanic acid	hnco
618	HOCN	cyanic acid	hocn
619	HCO2-	formate anion	hco2-
620	HNNO	nitrosoazane	hnno
621	HNNO+	Nitrous oxide, N-protonated	hnno+
622	NNOH+	Nitrous Oxide, O-protonated	nnoh+
623	HCOO	formate neutral radical	hcoo
624	HOCO+	Hydrocarboxyl cation	hoco+
625	HNO2	Nitrous acid	hno2
626	HNO2+	nitrous acid cation	hno2+
627	SO2H+	protonated sulfur dioxide	so2h+
628	CH2CO+	Ketene cation	ch2co+
629	HCCOH	ethynol	hccoh
630	Mg(OH)2	Magnesium dihydroxide	h2mgo2
631	NH2NO	Nitrosamide	nh2no
632	CH2O2	Dioxirane	diox
633	H2COO	Dioxymethyl radical	h2coo
634	H2COO+	dioxymethyl cation	h2coo+
635	H2O3	Hydrogen trioxide	h2o3
636	HSSSH	trisulfane	hsssh
637	NaOCH3	Sodium methoxide	naoch3
638	CH2BOH	hydroxy(methylene)borane	ch2boh
639	CH3BO	Borane, methyloxo-	ch3bo
640	CH2CHO	Vinyloxy radical	ch2cho
641	CH3CO-	Acetyl anion	ch3co-
642	CH3CO+	acetyl cation	ch3co+
643	CH2NOH	formaldoxime	ch2noh
644	CH3NO	nitrosomethane	ch3no
645	CHONH2	formamide	formamide
646	CNOH3	1,2-oxaziridine	cnoh3
647	CH2OOH	CH2OOH radical	ch2ooh
648	CH3OO	methylperoxy radical	ch3oo
649	CH3OO-	methylperoxy anion	ch3oo-
650	CH3OO+	methylperoxy cation	ch3oo+
651	CH2CHOH	ethenol	ch2choh
652	H2CONH2+	protonated formamide	h2conh2+
653	NH3CHO+	Formamide, N-Protonated	nh3cho+
654	CH2(OH)2	methanediol	ch2o2h2
655	CH3OOH	Methyl peroxide	ch3ooh
656	H2OH2CO	water formaldehyde dimer	h2oh2co
657	CH2CH2OH	2-hydroxy ethyl radical	ch2ch2oh
658	CH3CH2O	Ethoxy radical	ethoxy
659	CH3CHOH	1-hydroxy-ethyl radical	ch3choh
660	CH3CHOH+	acetaldehyde, protonated	ch3choh+
661	CH3OCH2	methoxymethyl radical	ch3och2
662	CH3CH2OH	Ethanol	etoh
663	CH3OCH3	Dimethyl ether	meome
664	CH3SeCH3	dimethylselenide	dmse
665	CH3OHH2O	methanol water dimer	ch3ohh2o
666	H2OCH3OH	water methanol dimer	h2och3oh
667	CuF2	Copper difluoride	cuf2
668	ZnF2	Zinc difluoride	znf2
669	CNF	iso cyanogen fluoride	cnf
670	FCN	Cyanogen fluoride	fcn
671	ClCN	chlorocyanogen	clcn
672	ICN	Cyanogen iodide	icn
673	BeF2	Beryllium fluoride	bef2
674	MgF2	Magnesium fluoride	mgf2
675	BeCl2	Beryllium chloride	becl2
676	MgCl2	Magnesium dichloride	mgcl2
677	CaCl2	Calcium Chloride	cacl2
678	ZnCl2	Zinc dichloride	zncl2
679	CaF2	Calcium difluoride	caf2
680	FCO	Carbonyl fluoride	fco
681	FCO+	Carbonyl fluoride cation	fco+
682	ClCO	carbonyl monochloride	clco
683	FNS	Thionitrosyl fluoride	fns
684	BrNO	Nitrosyl bromide	brno
685	INO	Nitrosyl iodide	ino
686	CF2-	Difluoromethylene anion	cf2-
687	CF2+	Difluoromethylene cation	cf2+
688	CFCl	chlorofluoromethylene	cfcl
689	SiF2+	Silicon difluoride cation	sif2+
690	CCl2	dichloromethylene	ccl2
691	CCl2-	dichloromethylene anion	ccl2-
692	CCl2+	dichloromethylene cation	ccl2+
693	SiCl2	Dichlorosilylene	sicl2
694	GeF2	Germanium difluoride	gef2
695	CBr2	dibromomethylene	cbr2
696	FOO	Dioxygen monofluoride radical	foo
697	ClOO	chloroperoxy radical	cloo
698	ClOO+	chloroperoxy cation	cloo+
699	OClO+	Chlorine dioxide cation	oclo+
700	ClSO	Sulfur chloride oxide	clso
701	ClS2	Sulfur chloride	cls2
702	OBrO	Bromine dioxide radical	obro
703	NF2	Difluoroamino radical	nf2
704	NF2+	Difluoroamino cation	nf2+
705	FClO	chlorosyl fluoride	fclo
706	F2O	Difluorine monoxide	f2o
707	ClOF	Chlorine hypofluorite	clof
708	SF2-	sulfur difluoride anion	sf2-
709	SF2+	sulfur difluoride cation	sf2+
710	Cl2O	Dichlorine monoxide	cl2o
711	SCl2	Sulfur dichloride	scl2
712	BrOCl	Bromine hypochlorite	brocl
713	BrOBr	Bromine oxide	brobr
714	F3-	trifluoride anion	f3-
715	Cl3-	trichloride anion	cl3-
716	I3-	triiodide	i3-
717	HCCF+	fluoroacetylene cation	hccf+
718	HCCCl	Chloroacetylene	hcccl
719	HCCBr	bromoacetylene	hccbr
720	HFCO	formyl fluoride	hfco
721	HFCO+	formyl fluoride cation	hfco+
722	COHCl	Formyl chloride	cohcl
723	COHBr	Formyl bromide	cohbr
724	BHF2	Difluoroborane	bhf2
725	BHCl2	Borane, dichloro-	bhcl2
726	CHCl2	dichloromethyl radical	chcl2
727	HOClO	Chlorous acid	hoclo
728	CH2FCl	fluorochloromethane	ch2fcl
729	CH2BrF	Methane, bromofluoro-	ch2fbr
730	CH2FI	fluoroiodomethane	ch2fi
731	CH2ClI	chloroiodomethane	ch2cli
732	CH2BrI	bromoiodomethane	ch2bri
733	CH2I2	Diiodomethane	ch2i2
734	SiH2Cl2	dichlorosilane	sih2cl2
735	CH2CHF+	fluoroethene cation	ch2chf+
736	C2H3Cl	Ethene, chloro-	ch2chcl
737	C2H3Br	vinyl bromide	c2h3br
738	C2H3I	Vinyl iodide	c2h3i
739	CH3OCl	methyl hypochlorite	ch3ocl
740	CH2CH2Cl	2-chloroethyl radical	ch2ch2cl
741	CHClCH3	1-chloroethyl radical	chclch3
742	C2H5F	fluoroethane	c2h5f
743	CH3CH2Cl	Ethyl chloride	c2h5cl
744	CH3SiFH2	fluoromethylsilane	ch3sifh2
745	C2H5I	Ethyl iodide	c2h5i
746	KrF2	Krypton difluoride	krf2
747	XeF2	Xenon difluoride	xef2
748	B4H10	Tetraborane(10)	b4h10
749	C4+	Carbon tetramer cation	c4+
750	C4H2	Diacetylene	c4h2
751	C2H3CCH	1-Buten-3-yne	c2h3cch
752	C4H4	cyclobutadiene	cbd
753	H2CCCCH2	Butatriene	h2cccch2
754	C4H6	Cyclobutene	c822355
755	C4H6	Methylenecyclopropane	c6142730
756	CH2CCHCH3	1,2-Butadiene	butad12
757	CH2CHCHCH2	1,3-Butadiene	c106990
758	CH3CCCH3	2-Butyne	c503173
759	CHCCH2CH3	1-Butyne	c107006
760	CH3CHCHCH2	methylallyl radical	c4h7
761	C4H8	methylcyclopropane	mcp
762	CH2C(CH3)CH3	1-Propene, 2-methyl-	isobute
763	CH3CHCHCH3	2-Butene, (E)-	bute2e
764	CH3CHCHCH3	2-Butene, (Z)-	bute2z
765	B(CH3)3	trimethylborane	bme3
766	Al(CH3)3	trimethyl aluminum	tma
767	C(CH3)3	Tert-butyl radical	tbutyl
768	CH2CH(CH3)2	Isobutyl radical	isobutyl
769	CH3CHCH2CH3	2-Butyl radical	butyl2
770	CH3CH(CH3)CH3	Isobutane	isobutane
771	SiH(CH3)3	trimethylsilane	trimsi
772	Li3N	trilithium nitride	li3n
773	C2N2	Cyanogen	c2n2
774	C2N2+	Cyanogen cation	c2n2+
775	P4	Phosphorus tetramer	p4
776	HCCCN	Cyanoacetylene	hcccn
777	HCCCN+	Cyanoacetylene cation	hcccn+
778	C3H3N	acrylonitrile	ch2chcn
779	C3H3N+	acrylonitrile cation	ch2chcn+
780	CH3N3	methyl azide	ch3n3
781	NH2CCNH2	Diaminoacetylene	daa
782	NH2CH2CN	Aminoacetonitrile	aan
783	CH3NHN2+	methyl azide, protonated	ch3nhn2+
784	CH5N3	Guanidine	guanidine
785	C4H6	Bicyclo[1.1.0]butane	c157335
786	CH3NNCH3	(Z)-1,2-Dimethyldiazene	dmdiazz
787	CH6N3+	guanidinium	ch6n3+
788	C3H7N	Cyclopropylamine	cpram
789	CH7N3	triaminomethane	tam
790	C3H7N	Azetidine	azet
791	C4H8	cyclobutane	cbutane
792	C2H8N2	Ethylenediamine	ethdiam
793	CH3NHNHCH3	dimethyl hydrazine	dmh
794	CH3CH(NH2)CH3	2-Propanamine	pram2
795	N(CH3)3	Trimethylamine	trimeam
796	NH2CH2CH2CH3	1-Propanamine	pram1
797	P(CH3)3	trimethylphosphine	tmp
798	As(CH3)3	trimethyl arsine	tmas
799	(CH3)3NH+	protonated trimethyl amine	ptma
800	C3H7NH3+	n-propylamine, protonated	c3h7nh2
801	Li2O2	dilithium dioxide	li2o2
802	K2O2	dipotassium dioxide	k2o2
803	C3O	Tricarbon monoxide	c3o
804	B2O2	Diboron dioxide	b2o2
805	S2N2	Disulfur dinitride	s2n2
806	CO3	Carbon trioxide	co3
807	CO3--	carbonate	co3--
808	NO3	Nitrogen trioxide	no3
809	NO3-	nitrate anion	no3-
810	NO3+	nitrogen trioxide cation	no3+
811	SO3-	Sulfur trioxide anion	so3-
812	SO3+	Sulfur trioxide cation	so3+
813	SeO3	selenium trioxide	seo3
814	TeO3	Tellurium trioxide	teo3
815	HCO3-	bicarbonate anion	hco3-
816	HSO3	Hydroxysulfonyl radical	hso3
817	NH2NO2	nitramide	nh2no2
818	C2H2CO	cyclopropenone	c2h2co
819	HCCCHO	2-propynal	hcccho
820	C2H2O2+	Ethanedial cation	c2h2o2+
821	H2CO3	Carbonic acid	h2co3
822	H2CS3	thiocarbonic acid	h2cs3
823	H2NO3+	Nitric Acid, Protonated	h2no3+
824	H2SO3	Sulfurous acid	h2so3
825	C2H3NO	Nitrosoethylene	c2h3no
826	CH3COO-	acetate anion	ch3coo-
827	CH3ONO	Methyl nitrite	ch3ono
828	NH2COOH	Carbamic acid	nh2cooh
829	H3BO3	Boric acid	h3bo3
830	H3CO3+	carbonic acid, protonated	h3co3+
831	C3H4O	2-Propyn-1-ol	c107197
832	C3H4O	allenol	c9000071
833	C3H4O	Cyclopropanone	cpone
834	C3H4O	Methylketene	c6004440
835	NH2CONH2	Urea	urea
836	NH2CONH2+	Urea cation	urea+
837	NH2CSNH2	Thiourea	thiourea
838	C2H4O2	1,3-dioxetane	c2h4o2
839	CH3COOH	Acetic acid	ch3cooh
840	CH3OCHO	methyl formate	ch3ocho
841	CHOCH2OH	hydroxy acetaldehyde	haa
842	NH2COOH2+	Carbamic acid, O-protonated	nh2cooh2+
843	NH3COOH+	protonated Carbamic acid	nh3cooh+
844	H2OHCOOH	Water formic acid dimer 1	h2ohcooh_10
845	H2OHCOOH	Water formic acid dimer 2	h2ohcooh_11
846	HCOOHH2O	Formic acid water dimer	hcoohh2o
847	HOCH2OOH	hydroxy methyl peroxide	hoch2ooh
848	CH3COCH2	Acetonyl radical	ch3coch2
849	CH3CHNOH	Acetaldoxime	acetaldoxime
850	CH3CONH2	Acetamide	acetamide
851	HCONHCH3	N-methylformamide	nmfa
852	CH5N2O+	urea, N-protonated	ch4n2o+
853	H2NCOHNH2+	urea, protonated	ureah+
854	C2H5OO	ethylperoxy radical	c2h5oo
855	CH3NNCH3	(E)-1,2-Dimethyldiazene	dmdiaze
856	C3H5OH	Cyclopropanol	cproh
857	C3H6O	2-Propen-1-ol	c107186
858	C3H6O	Acetone enol	enol
859	C3H6O	Oxetane	oxetane
860	C3H6O	Propylene oxide	prox
861	CH3COCH3	Acetone	acetone
862	CH3COCH3-	acetone anion	ch3coch3-
863	C3H6S	Thietane	thietane
864	C3H6S	Thiirane, methyl-	methiirane
865	CH3CSCH3	Thioacetone	ch3csch3
866	C2H6O2	1,2-Ethanediol	ethdiol
867	CH3OOCH3	dimethylperoxide	dmp
868	CH3SOCH3	Dimethyl sulfoxide	dmso
869	CH2SHCH2SH	1,2-Ethanedithiol	ethdisl
870	CH3SSCH3	Disulfide, dimethyl	ch3ssch3
871	CH3COHCH3+	acetone, protonated	acetoneh+
872	HOCH2CH2NH2	monoethanolamine	mea
873	CH3CHOHCH3	Isopropyl alcohol	isoproh
874	CH3OC2H5	Ethane, methoxy-	etome
875	C3H7SH	1-Propanethiol	prsh
876	CH3CHSHCH3	2-Propanethiol	isoprsh
877	CH3SCH2CH3	Ethane, (methylthio)-	etsme
878	H2OCH3OCH3	water dimethylether dimer	h2och3och3
879	Na2F2	Sodium Fluoride Dimer	na2f2
880	Na2Cl2	Disodium dichloride	na2cl2
881	C2F2	difluoroacetylene	c2f2
882	C2Cl2	dichloroacetylene	c2cl2
883	C2Cl2+	dichloroacetylene cation	c2cl2+
884	FNO2	Nitryl fluoride	fno2
885	FONO	Nitrosyl hypofluorite	fono
886	ClNO2	Nitryl chloride	clno2
887	ClONO	chlorine nitrite	clono
888	BrONO	Bromine nitrite	brono
889	N2F2	(Z)-Difluorodiazene	n2f2_z
890	N2F2	Dinitrogen difluoride, (E)-	n2f2_e
891	COFCl	Carbonic chloride fluoride	cofcl
892	CCl2O	Phosgene	cl2co
893	Cl2CS	Thiophosgene	cl2cs
894	COBr2	Carbonic dibromide	cobr2
895	BF3-	Borane, trifluoro- anion	bf3-
896	AlF2Cl	Aluminum chloride difluoride	alclf2
897	ScF3	Scandium trifluoride	ScF3
898	AlFCl2	Aluminum dichloride fluoride	alcl2f
899	AlCl3	Aluminum trichloride	alcl3
900	BBr3	Boron tribromide	bbr3
901	AlBr3	Aluminum Bromide	albr3
902	ClO3	Chlorine trioxide	clo3
903	ClO3-	chlorate anion	clo3-
904	BrO3-	Bromate anion	bro3-
905	CF3	Trifluoromethyl radical	cf3
906	CF3-	Trifluoromethyl anion	cf3-
907	CF3+	Trifluoromethyl cation	cf3+
908	SiF3	Silicon trifluoride radical	sif3
909	SiF3+	Silicon trifluoride cation	sif3+
910	CCl3	Trichloromethyl radical	ccl3
911	CCl3-	Trichloromethyl anion	ccl3-
912	CCl3+	Trichloromethyl cation	ccl3+
913	SiCl3	trichlorosilyl radical	sicl3
914	SiCl3+	trichlorosilyl cation	sicl3+
915	FOOF	Perfluoroperoxide	foof
916	ClO2F	Chloryl fluoride	clo2f
917	F2SO	Thionyl Fluoride	f2so
918	ClOOCl	Dichlorine dioxide	cloocl
919	FSSF	Difluorodisulfane	fssf
920	S2F2	Thio-thionyl fluoride	s2f2
921	SOCl2	thionyl chloride	socl2
922	SeOCl2	selenium oxychloride	seocl2
923	NF3-	Nitrogen trifluoride anion	nf3-
924	NF3+	Nitrogen trifluoride cation	nf3+
925	PF3	Phosphorus trifluoride	pf3
926	AsF3	Arsenic trifluoride	asf3
927	PCl3	Phosphorus trichloride	pcl3
928	SbF3	Antimony Trifluoride	sbf3
929	AsCl3	Arsenous trichloride	ascl3
930	SbCl3	Antimony Trichloride	sbcl3
931	PBr3	Phosphorus tribromide	pbr3
932	AsBr3	Arsenic tribromide	asbr3
933	NI3	Nitrogen triiodide	ni3
934	PI3	Phosphorus triiodide	pi3
935	ClSSCl	Disulfur dichloride	s2cl2
936	SF3	Sulfur trifluoride	sf3
937	ClF3	Chlorine trifluoride	clf3
938	BrF3	Bromine trifluoride	brf3
939	IF3	iodone trifluoride	if3
940	CHF2Cl	difluorochloromethane	chf2cl
941	CHFCl2	fluorodichloromethane	chfcl2
942	CDCl3	trichloromethane-d	cdcl3
943	CHCl3	Chloroform	chcl3
944	SiHCl3	Trichlorosilane	sihcl3
945	CHFClBr	fluorochlorobromomethane	chfclbr
946	CHF2I	difluoroiodomethane	chf2i
947	CHFClI	fluorochloroiodomethane	chfcli
948	CHCl2I	dichloroiodomethane	chcl2i
949	CHClBr2	Methane, dibromochloro-	chclbr2
950	CHBr3	bromoform	chbr3
951	CHI3	Iodoform	chi3
952	NF3H+	protonated nitrogen trifluoride	nf3h+
953	C2H2F2	Ethene, 1,2-difluoro-, (E)-	c2h2f2e
954	C2H2F2	Ethene, 1,2-difluoro-, (Z)-	c2h2f2z
955	CH2CF2	Ethene, 1,1-difluoro-	ch2cf2
956	C2H2ClF	1-chloro-1-fluoroethylene	c2h2clf
957	CHFCHCl	(E)-1-chloro-2-fluoroethene	chfchcle
958	CHFCHClz	(Z)-1-Chloro-2-fluoroethene	chfchclz
959	CH2CCl2	Ethene, 1,1-dichloro-	ch2ccl2
960	CHClCHCl	Ethene, 1,2-dichloro-, (E)-	chclchcle
961	CHClCHCl	Ethene, 1,2-dichloro-, (Z)-	chclchclz
962	C2H2Br2	1,1-dibromoethene	c2h2br2
963	CH2FCHO	Fluoroacetaldehyde	ch2fcho
964	CH3COF	Acetyl fluoride	ch3cof
965	CH2ClCHO	chloroacetaldehyde	ch2clcho
966	CH3COCl	Acetyl Chloride	ch3cocl
967	CH2FCH2Cl	Ethane, 1-chloro-2-fluoro-	ch2fch2cl
968	CH3CHFCl	Ethane, 1-chloro-1-fluoro-	ch3chfcl
969	CH2ClCH2Cl	Ethane, 1,2-dichloro-	ch2clch2cl
970	CH3CHCl2	Ethane, 1,1-dichloro-	ch3chcl2
971	CH2CFCH3	2-fluoropropene	2fpro
972	C3H5Cl	1-Propene, 3-chloro-	prop1cl3
973	C3H5Cl	1-chloro-1-propene(E)	prop1cl1e
974	C3H5Cl	1-chloro-1-propene(Z)	prop1cl1z
975	CH2ClCH2OH	2-Chloroethanol	ch2clch2oh
976	CH2ClCH2OH2+	2-chloroethanol, protonated	ch2clch2oh2+
977	CH2ClCH2CH3	Propane, 1-chloro-	prcl1
978	CH3CHClCH3	Propane, 2-chloro-	prcl2
979	CH3CH2CH2Br	n-propyl bromide	prbr
980	CH3CHBrCH3	i-propyl bromide	iprbr
981	C3H9O+	trimethyl oxonium cation	c3h9o+
982	C5H5	cyclopentadienyl radical	c5h5
983	C5H5-	cylopentadienyl anion	c5h5-
984	C5H6	1,3-Cyclopentadiene	c542927
985	C5H6	1-Buten-3-yne, 2-methyl-	c78808
986	C5H6	3-Penten-1-yne, (E)-	c2004695
987	C5H6	3-Penten-1-yne, (Z)-	c1574409
988	C5H6	Bicyclo[2.1.0]pent-2-ene	c5164352
989	C5H6	Cyclopropylacetylene	c6746947
990	C5H6	Propellane	propellane
991	C5H7	1,3-pentadienyl radical	pdyl
992	C5H7	cyclopentenyl radical	cpyl
993	C5H8	1,2-Butadiene, 3-methyl-	c598254
994	C5H8	1,2-Pentadiene	c591957
995	C5H8	1,3-Butadiene, 2-methyl-	c78795
996	C5H8	1,3-Pentadiene, (E)-	c2004708
997	C5H8	1,3-Pentadiene, (Z)-	c1574410
998	C5H8	1,4-Pentadiene	c591935
999	C5H8	1-pentyne	a1pentyne
1000	C5H8	2,3-Pentadiene	c591968
1001	C5H8	Cyclobutane, methylene-	c1120565
1002	C5H8	Cyclopentene	c142290
1003	C5H8	Ethenylcyclopropane	c693867
1004	CH3CCCH2CH3	2-Pentyne	2pentyne
1005	C5H10	1-Butene, 2-methyl-	c563462
1006	C5H10	2-Butene, 2-methyl-	c513359
1007	C5H10	2-Pentene, (E)-	c646048
1008	C5H10	2-Pentene, (Z)-	c627203
1009	C5H10	Cyclopentane	c287923
1010	C5H10	Cyclopropane, 1,1-dimethyl-	c1630940
1011	CH2CHCH2CH2CH3	1-pentene	pentene
1012	C5H11	2-Methylbut-2-yl radical	c4348350
1013	C5H12	Butane, 2-methyl-	buta2
1014	C5H12	Pentane	pentane
1015	C5H12	Propane, 2,2-dimethyl-	neopentane
1016	Si(CH3)4	tetramethylsilane	tms
1017	N2O3	Dinitrogen trioxide	n2o3
1018	C3H2N2	Malononitrile	c3h2n2
1019	CH2N4	1H-Tetrazole	1htz
1020	C3H3N2	imidazolyl radical	im
1021	C3H3N2-	imidizolyl anion	im-
1022	C2H3N3	1H-1,2,4-Triazole	c288880
1023	C4H4N	pyrrolide radical	c4h4n
1024	C4H4N-	pyrrolide anion	c4h4n-
1025	C3H4N2	1H-Imidazole	1himidaz
1026	C3H4N2	1H-Pyrazole	1hpyraz
1027	C3H4N2	2H-Imidazole	imid2h
1028	C3H4N2	4H-Imidazole	imid4h
1029	C4H5N	(E)-2-Butenenitrile	c627269
1030	C4H5N	(Z)-2-Butenenitrile	c1190767
1031	C4H5N	2H-pyrrole	pyrrole2
1032	C4H5N	3H-pyrrole	pyrrole3
1033	C4H5N	Cyclopropanecarbonitrile	c5500210
1034	CH2CHCH2CN	Allylcyanide	ch2chch2cn
1035	C4H6N+	pyrrole, alpha-protonated	appyr
1036	C4H6N+	pyrrole, beta-protonated	bppyr
1037	C4H6N+	pyrrole, protonated	ppyr
1038	C3H6N2	3-Aminopropionitrile	c151188
1039	CH3CH(CH3)CN	Propanenitrile, 2-methyl-	c4h7n
1040	CH3CH2CH2CN	Butanenitrile	c109740
1041	C5H8	Bicyclo[2.1.0]pentane	c185944
1042	C5H8	Spiropentane	c157404
1043	C4H9N	Cyclobutylamine	cbam
1044	C4H9N	Pyrrolidine	pyrrolidine
1045	C3H10N2	1,2-Diaminopropane	diampr12
1046	C(CH3)3NH2	2-Propanamine, 2-methyl-	c75649
1047	C(NH2)H2C(CH3)HCH3	1-Propanamine, 2-methyl-	c78819
1048	C(NH2)H2CH2CH2CH3	1-Butanamine	butam1
1049	CH3C(NH2)HCH2CH3	2-Butanamine	butam2
1050	NH(C2H5)2	diethylamine	dea
1051	NC4H12+	tetramethyl ammonium cation	nc4h12+
1052	C3O2+	Carbon suboxide cation	c3o2+
1053	MgCO3	Magnesium Carbonate	mgco3
1054	BeCO3	Beryllium Carbonate	beco3
1055	CaCO3	Calcium Carbonate	caco3
1056	ONONO	Nitrosyl nitrite	onono
1057	PO4---	phosphate	po4---
1058	SO4--	sulfate	so4--
1059	HOONO2	peroxy nitric acid	hoono2
1060	HSO4-	bisulfate anion	hso4-
1061	C2H2N2S	1,3,4-Thiadiazole	c2h2n2s
1062	C3H2O2	Propiolic acid	c3h2o2
1063	CHOCOOH	oxo acetic acid	oaa
1064	H2SO4	Sulfuric acid	h2so4
1065	H2SeO4	Selenic acid	h2seo4
1066	C3H3NO	Oxazole	oxazole
1067	CH3C(O)OO	acetyl peroxy radical	ch3coo2
1068	CH3NO3	Methyl nitrate	ch3no3
1069	H3PO4	Phosphoric Acid	h3po4
1070	C4H4O	Furan	furan
1071	C4H4O+	Furan cation	furan+
1072	CH3COCCH	3-butyn-2-one	c1423605
1073	C4H4S	Thiophene	furans
1074	C3H4O2	β–Propiolactone	beta
1075	C3H4O2	2-Propenoic acid	propenoic2
1076	C3H4O2	Methyl glyoxal	megly
1077	C3H4O2	propanedial	propanedial
1078	C3H4O2	propenalol	propenalol
1079	HOCHCCHOH	allenediol	aldiol
1080	C2H4O3	1,2,3-trioxolane	c2h4o3
1081	C2H4O3	trioxolane124	triox
1082	HOCH2COOH	Hydroxyacetic acid	hac
1083	CH2CHCONH2	Acrylamide	c79061
1084	CH3OCH2CN	Methoxyacetonitrile	c1738369
1085	CH5N3S	Hydrazinecarbothioamide	c79196
1086	H2NCH2COOH	Glycine	glycine
1087	CH3SO2NH2	methanesulfonamide	ch3so2nh2
1088	C4H6O	cis-2-butenal	butenal2c
1089	C4H6O	Cyclobutanone	cbutone
1090	C4H6O	Furan, 2,3-dihydro-	furan23h
1091	C4H6O	Furan, 2,5-dihydro-	furan25h
1092	CH2CHOCHCH2	Vinyl ether	vinylether
1093	CHOCHCHCH3	2-Butenal	butenal2
1094	C4H6S	Thiophene, 2,3-dihydro-	thiop23h
1095	C4H6S	Thiophene, 2,5-dihydro-	thiop25h
1096	CH2CHSCHCH2	Divinyl sulfide	divis
1097	C2H6N2O	Urea, methyl-	c598505
1098	C3H6O2	1,3-Dioxolane	dioxolane
1099	CH3CH2COOH	Propanoic Acid	propanoic
1100	CH3COOCH3	methyl acetate	aame
1101	CH3SSSCH3	dimethyl trisulfide	c2h6s3
1102	C3H7NO	dimethylformamide	dmf
1103	C3H7NO	Propanamide	propanam
1104	C2H3OC2H5	Ethene, ethoxy-	c109922
1105	C4H8O	Cyclobutanol	c2919235
1106	C4H8O	Furan, tetrahydro-	thf
1107	CH2C(CH3)OCH3	1-Propene, 2-methoxy-	pre1meo2
1108	CH3COCH2CH3	2-Butanone	buta2one
1109	CHOCH(CH3)CH3	Propanal, 2-methyl-	c78842
1110	CHOCH2CH2CH3	Butanal	butanal
1111	C3H8O2	1,3-Propanediol	c504632
1112	C3H8O2	Hydroperoxide, 1-methylethyl	c3031752
1113	C3H8O2	Methane, dimethoxy-	c109875
1114	C3H8O2	Propylene glycol	c57556
1115	C3H8S2	1,3-Propanedithiol	c109808
1116	C4H10O	1-Butanol	butanol1
1117	C4H10O	1-Propanol, 2-methyl-	c78831
1118	C4H10O	2-Butanol, (.+/-.)-	butanol2
1119	C4H10O	Ethanol, 1,1-dimethyl-	tbuoh
1120	C4H10O	Ethoxy ethane	etoet
1121	C4H10O	Propane, 2-methoxy-	c598538
1122	C4H10O+	1-Butanol cation	butanol1+
1123	C(CH3)3SH	2-Propanethiol, 2-methyl-	tbush
1124	C2H5SC2H5	Diethyl sulfide	etset
1125	CH2(SH)CH(CH3)CH3	1-Propanethiol, 2-methyl-	c513440
1126	CH3C(SCH3)HCH3	Propane, 2-(methylthio)-	mesipr
1127	CH3CH(SH)CH2CH3	2-Butanethiol	butansl2
1128	FNO3	Fluorine nitrate	fno3
1129	ClONO2	Chlorine nitrate	clono2
1130	BrONO2	Bromine nitrate	brono2
1131	TiCl4	Titanium tetrachloride	ticl4
1132	ClO4-	perchlorate anion	clo4-
1133	BF4-	tetrafluoroboron anion	bf4-
1134	ClFO3	Perchloryl fluoride	clfo3
1135	SO2F2	Sulfuryl fluoride	so2f2
1136	SO2Cl2	Sulfuryl chloride	so2cl2
1137	F3NO	Nitrogen trifluoride oxide	f3no
1138	F3PO	Phosphoryl fluoride	pf3o
1139	Cl3PO	Phosphoryl chloride	pcl3o
1140	CF4	Carbon tetrafluoride	cf4
1141	SiF4	Silicon tetrafluoride	sif4
1142	TiF4	Titanium tetrafluoride	tif4
1143	CFCl3	Trichloromonofluoromethane	cfcl3
1144	CCl4	Carbon tetrachloride	ccl4
1145	CCl4+	Carbon tetrachloride cation	ccl4+
1146	CBrClF2	Methane, bromochlorodifluoro-	cbrclf2
1147	SiCl4	Silane, tetrachloro-	sicl4
1148	CF3I	trifluoroiodomethane	cf3i
1149	CBrCl3	Methane, bromotrichloro-	cbrcl3
1150	CBr2F2	Methane, dibromodifluoro-	cbr2f2
1151	GeCl4	Germanium Tetrachloride	gecl4
1152	CCl3I	trichloroiodomethane	ccl3i
1153	CFBr3	fluorotribromomethane	cfbr3
1154	CFClBrI	fluorochlorobromoiodomethane	cfclbri
1155	CF2I2	difluorodiiodomethane	cf2i2
1156	CCl2I2	dichlorodiiodomethane	ccl2i2
1157	SiBr4	Silicon tetrabromide	sibr4
1158	CBr3I	tribromoiododmethane	cbr3i
1159	CI4	tetraiodomethane	ci4
1160	SiI4	silicon tetraiodide	sii4
1161	ClOF3	Chlorine trifluoride oxide	clof3
1162	C2HF3	Trifluoroethylene	c2hf3
1163	C2HF3+	Trifluoroethylene cation	c2hf3+
1164	CHClCCl2	Trichloroethylene	chclccl2
1165	CHBrCF2	1-Bromo-2,2-difluoroethylene	chbrcf2
1166	HClO4	perchloric acid	hclo4
1167	HSO3F	Fluorosulfonic acid	hso3f
1168	CF3OH	trifluoromethanol	cf3oh
1169	CHClCCHCl	1,3-dichloroallene	chclcchcl
1170	PF3CH2	phosphorane, trifluoromethylene-	pf3ch2
1171	CH3CF3	Ethane, 1,1,1-trifluoro-	ch3cf3
1172	CH3CF2Cl	1-Chloro-1,1-Difluoroethane	ch3cf2cl
1173	CH3CFCl2	1,1-Dichloro-1-fluoroethane	ch3cfcl2
1174	CH2ClCHCl2	1,1,2-trichloroethane	ch2clchcl2
1175	CH3CCl3	Ethane, 1,1,1-trichloro-	ch3ccl3
1176	SiCl3CH3	methyltrichlorosilane	sicl3ch3
1177	CH3CBr3	1,1,1-tribromoethane	ch3cbr3
1178	NH3BCl3	Amminetrichloroboron	nh3bcl3
1179	SiH3CCl3	(trichloromethyl)silane	sih3ccl3
1180	C3H5ClO	Oxirane, (chloromethyl)-	c106898
1181	CH3CF2CH3	2,2-difluoropropane	ch3cf2ch3
1182	CH2ClCH2CH2Cl	1,3-dichloropropane	prdicl13
1183	CH2ClCHClCH3	Propane, 1,2-dichloro-	prdicl12
1184	CHCl2CH2CH3	1,1-dichloropropane	prdicl11
1185	SiCl2(CH3)2	dichlorodimethylsilane	sicl2me2
1186	CH2CClCH2CH3	1-Butene, 2-chloro-	bute1cl2
1187	CH2CHCH2CH2Cl	1-Butene, 4-chloro-	bute1cl4
1188	CH2CHCHClCH3	1-Butene, 3-chloro-	bute1cl3
1189	CH2ClCHCHCH3	2-Butene, 1-chloro-	bute2cl1
1190	CH3CClCHCH3	2-Butene, 2-chloro-, (E)-	bute2cl2e
1191	CH3CClCHCH3	2-Butene, 2-chloro-, (Z)-	bute2cl2z
1192	CHClCHCH2CH3	(E)-1-Chloro-1-butene	bute1cl1
1193	CHClCHCH2CH3	(Z)-1-Chloro-1-butene	bute1cl1z
1194	C4H9F	1-fluorobutane	butaf1
1195	CH3CHFCH2CH3	2-fluorobutane	butaf2
1196	CH2ClCH2CH2CH3	Butane, 1-chloro-	butacl1
1197	CH3CCl(CH3)CH3	Propane, 2-chloro-2-methyl-	procl2me2
1198	CH3CHClCH2CH3	Butane, 2-chloro-	butacl2
1199	XeF4	Xenon tetrafluoride	xef4
1200	CF3PH2	phosphine, (trifluoromethyl)-	cf3ph2
1201	NH3BF3	Amminetrifluoroboron	nh3bf3
1202	C6H2	hexatriyne	c6h2
1203	C6H4	(E)-Hexa-1,5-diyne-3-ene	c6h4e
1204	C6H4	(Z)-Hexa-1,5-diyne-3-ene	c6h4z
1205	C6H4	Benzyne	benzyne
1206	C6H5	phenyl	phenyl
1207	C6H5-	phenyl anion	phenyl-
1208	C6H6	2,4-Hexadiyne	hexadiyne
1209	C6H6	3,4-Dimethylenecyclobutene	cb34m
1210	C6H6	Benzene	benzene
1211	C6H6	Benzvalene	bv
1212	C6H6	Hexa-1,5-diene-3-yne	hdy153
1213	C6H6	Trimethylenecycopropane	tmcp
1214	C6H6+	Benzene cation	c6h6+
1215	C6H8	(E)-hexa-1,3,5-triene	c821078
1216	C6H8	(E)-hexa-2,3,4-triene	c59660650
1217	C6H8	(Z)-hexa-1,3,5-triene	hexatri135
1218	C6H8	(Z)-hexa-2,3,4-triene	hetr234c
1219	C6H8	1,3-Cyclohexadiene	cyhexadiene13
1220	C6H8	1,4-Cyclohexadiene	cyhexadiene14
1221	C6H8	3-Methylenecyclopentene	c930267
1222	C6H8	Bicyclo[2.1.1]hex-2-ene	c822413
1223	C6H8	Bicyclo[2.2.0]hex-1(4)-ene	c30830207
1224	C6H8	Bicyclo[3.1.0]hex-2-ene	c694019
1225	C6H10	1,3-Hexadiene, (E)-	hexdi13e
1226	C6H10	1,3-Hexadiene, (Z)-	hexdi13z
1227	C6H10	1,4-Hexadiene, (E)-	hexdi14t
1228	C6H10	1,4-Hexadiene, (Z)-	hexdi14z
1229	C6H10	1,5-Hexadiene	c592427
1230	C6H10	1-Butyne, 3,3-dimethyl-	c917920
1231	C6H10	1-Hexyne	hexyne1
1232	C6H10	2,4-Hexadiene, (E,E)-	hexdi24ee
1233	C6H10	2,4-Hexadiene, (E,Z)-	hexdi24ez
1234	C6H10	2,4-Hexadiene, (Z,Z)-	hexdi24zz
1235	C6H10	2-Hexyne	c764352
1236	C6H10	3-Hexyne	hexyne3
1237	C6H10	cyclohexene	cyclohexene
1238	C6H10	Cyclopentene, 1-methyl-	c693890
1239	C6H10	Cyclopentene, 3-methyl-	c1120623
1240	C6H10	Cyclopentene, 4-methyl-	c1759815
1241	C4H6(CH3)2	1,1-dimethylcyclobutane	dmcb11
1242	C6H12	(1R,2R)-1,2-dimethylcyclobutane	dmcb12t
1243	C6H12	(1r,3r)-1,3-dimethylcyclobutane	dmcb13t
1244	C6H12	(E)-2-Hexene	e2hexene
1245	C6H12	(E)-3-methylpent-2-ene	c616126
1246	C6H12	(E)-hex-3-ene	e3hexene
1247	C6H12	(Z)-3-methylpent-2-ene	c922623
1248	C6H12	(Z)-hex-2-ene	z2hexene
1249	C6H12	(Z)-hex-3-ene	z3hexene
1250	C6H12	2,3-dimethylbut-1-ene	c563780
1251	C6H12	2,3-dimethyl-but-2-ene	tmeet
1252	C6H12	3-methylenepentane	c760214
1253	C6H12	cis-1,2-dimethylcyclobutane	dmcb12c
1254	C6H12	cis-1,3-dimethylcyclobutane	dmcb13c
1255	C6H12	Cyclohexane	cyclohexane
1256	C6H12	Cyclopentane, methyl-	c96377
1257	C6H12	Ethylcyclobutane	c4806615
1258	C6H12	hex-1-ene	hexene1
1259	C6H14	Butane, 2,2-dimethyl-	buta22
1260	C6H14	Butane, 2,3-dimethyl-	buta23
1261	C6H14	Hexane	hexane
1262	C6H14	Pentane, 2-methyl-	penta2
1263	C6H14	Pentane, 3-methyl-	penta3
1264	C4N2	2-Butynedinitrile	c4n2
1265	C4H2N2	Fumaronitrile	c4h2n2
1266	C2H2N4	sym-tetrazine	ttz
1267	C3H3N3	1,3,5-Triazine	triazine135
1268	CH3N5	5-Aminotetrazole	c4418615
1269	C4H4N2	1,3-Diazine	diazine13
1270	C4H4N2	Pyrazine	pyrazine
1271	C4H4N2	Pyridazine	pyridazine
1272	C4H4N2	Succinonitrile	c110612
1273	C2H4N4	1H-Tetrazole, 1-methyl-	c16681779
1274	C2H4N4	1H-Tetrazole, 5-methyl-	c4076362
1275	C2H4N4	2H-Tetrazole, 2-methyl-	c16681780
1276	C5H5N	Bicyclo[1.1.0]butane-1-carbonitrile	bibucn
1277	C5H5N	E-2,4-pentadienenitrile	bdcn
1278	C5H5N	Pyridine	pyridine
1279	B3N3H6	borazine	borazine
1280	C6H6	Fulvene	fulvene
1281	C5H6N+	Pyridinium	c5h6n
1282	C4H6N2	1H-Imidazole, 2-methyl-	c693981
1283	C5H7N	(E)-2-Pentenenitrile	c26294984
1284	C5H7N	(E)-3-Pentenenitrile	c16529661
1285	C5H7N	(Z)-2-Pentenenitrile	c25899507
1286	C5H7N	1H-Pyrrole, 1-methyl-	c96548
1287	C5H7N	Cyclobutanecarbonitrile	c4426113
1288	C5H9N	1,2,3,6-Tetrahydropyridine	c694053
1289	C5H9N	Butanenitrile, 2-methyl-	c18936179
1290	C5H9N	Pentanenitrile	c110598
1291	C5H9N	Propanenitrile, 2,2-dimethyl-	c630182
1292	C6H10	Bicyclo[3.1.0]hexane	c285585
1293	C5H11N	Cyclopentanamine	cypentam
1294	C5H11N	Piperidine	piper
1295	C4H12N2	1,2-Butanediamine	c4426486
1296	C4H12N2	2-Methyl-1,2-propanediamine	c811938
1297	Li2CO3	Lithium Carbonate	li2co3
1298	Na2CO3	Sodium Carbonate	na2co3
1299	C2O4--	oxalate anion	c2o4
1300	MgSO4	Magnesium Sulfate	mgso4
1301	N2O4	Dinitrogen tetroxide	n2o4
1302	C2H2O4	Oxalic Acid	oxalic
1303	C2H3NO3	Oxamic acid	oxamic
1304	C4H4O2	2(5H)-Furanone	furanone
1305	C4H4O2	2-Oxetanone, 4-methylene-	c674828
1306	C2H4N2O2	Oxalamide	oxalamide
1307	C2H4N2S2	Ethanedithioamide	c79403
1308	C2H4CO3	Ethylene carbonate	etco3
1309	C3H4O2S	2H-Thiete-1,1-dioxide	c7285327
1310	C3H4S3	1,3-Dithiolane-2-thione	c822388
1311	C2H4O4	Formic acid dimer	fadimer
1312	C4H5NO	3-Methylisoxazole	isox3m
1313	C4H5NO	Isoxazole, 5-methyl-	c5765446
1314	C4H5NS	4-Methylthiazole	c693958
1315	C2H5NO3	Nitric acid, ethyl ester	c625581
1316	C5H6O	2-methylfuran	furan2m
1317	C5H6O	3-Methylfuran	furan3m
1318	C5H6S	Thiophene, 2-methyl-	c554143
1319	C5H6S	Thiophene, 3-methyl-	c616444
1320	C4H6O2	2,3-Butanedione	c431038
1321	C4H6O2	2-Propenoic acid, methyl ester	c96333
1322	C4H6O2	Crotonic Acid	crot
1323	C4H6OS	2,3-dihydrothiophene-2-ol	c9000117
1324	C4H6OS	2,5-dihydrothiophene-3-ol	c9000093
1325	C4H6OS	4,5-dihydrothiophene-2-ol	c9000106
1326	C4H6OS	4,5-dihydrothiophene-3-ol	c9000082
1327	C4H6OS	Dihydro-2-(3H)-thiophenone	c1003107
1328	C4H6OS	Dihydro-3-(2H)-thiophenone	c1003049
1329	C4H6OS	Vinyl sulfoxide	c1115157
1330	CH6N4S	Carbonothioic dihydrazide	thiacarb
1331	C2H6N2O2	(E)-Azodioxymethane	c37765154
1332	C2H6N2O2	Dimethylnitroamine	c4164287
1333	C3H6S3	1,3,5-Trithiane	c3h6s3
1334	C3H6S3	Carbonotrithioic acid, dimethyl ester	c2314489
1335	C2H6O3S	Sulfurous acid, dimethyl ester	c616422
1336	C4H7NO	2-Pyrrolidinone	c616455
1337	C4H7NO	Ethoxyacetonitrile	etoaccn
1338	C4H7NO	Methacrylamide	c79390
1339	C4H7NO	Oxazole, 4,5-dihydro-2-methyl-	c1120645
1340	HCONH2CN2H4	formamide aminomethanimine dimer	d13
1341	C3H7ONO	Propyl nitrite	prono
1342	CH3CH(CH3)ONO	Isopropyl nitrite	c541424
1343	CH3CH(NH2)COOH	Alanine	alanine
1344	CH3NHCH2COOH	Sarcosine	sarcosine
1345	NH2CH2CH2COOH	β–alanine	betaalanine
1346	NH2COOC2H5	Urethane	urethane
1347	C5H8O	2H-Pyran, 3,4-dihydro-	c110872
1348	C5H8O	Cyclopentanone	c120923
1349	C5H8O	Furan, 2,3-dihydro-5-methyl-	c1487156
1350	C5H8O	Methyl cyclopropyl ketone	c765435
1351	N(CH3)2CONH2	Urea, N,N-dimethyl-	c598947
1352	NH(CH3)CONH(CH3)	Urea, N,N'-dimethyl-	c96311
1353	NH2CONHC2H5	Urea, ethyl-	c625525
1354	C4H8O2	1,3-Dioxane	dioxan13
1355	C4H8O2	1,3-Dioxolane, 2-methyl-	c497267
1356	C4H8O2	1,4-Dioxane	dioxan14
1357	C4H8O2	Ethene, 1,1-dimethoxy-	c922690
1358	C4H8O2	Ethyl acetate	c141786
1359	C4H8OS	s-Ethyl thioacetate	c625605
1360	C3H8O3	1,2,3-Propanetriol	glycerin
1361	C3H8O2S	(Methylsulfonyl)ethane	c594434
1362	C4H9NO	Butanamide	c541355
1363	C4H9NO	Propanamide, 2-methyl-	c563837
1364	C5H10O	2-Butanone, 3-methyl-	c563804
1365	C5H10O	2H-Pyran, tetrahydro-	c142687
1366	C5H10O	2-methylbutyraldehyde	2meba
1367	C5H10O	2-Pentanone	mpk
1368	C5H10O	Cyclopentanol	c96413
1369	C5H10O	Oxetane, 3,3-dimethyl-	c6921353
1370	C5H10O	Pentanal	pal
1371	C5H10S	2H-Thiopyran, tetrahydro-	c1613510
1372	C5H10S	3-Ethylthio-1-propene	c5296628
1373	C5H10S	Cyclopentanethiol	c1679078
1374	C5H10S	Thiophene, tetrahydro-2-methyl-	c1795091
1375	C5H10S	Thiophene, tetrahydro-3-methyl-	c4740005
1376	C4H10O2	1,1-Dimethoxyethane	c534156
1377	C4H10O2	1,3-Butanediol	budiol13
1378	C4H10O2	1,4-Butanediol	budiol14
1379	C4H10O2	Ethane, 1,2-dimethoxy-	c110714
1380	C4H10OS	Diethyl sulfoxide	c70291
1381	C4H10S2	1,4-Butanedithiol	budisl14
1382	C4H11NO	Diethylhydroxylamine	c3710847
1383	C5H12O	1-Butanol, 2-methyl-	c137326
1384	C5H12O	1-Butanol, 3-methyl-	c123513
1385	C5H12O	1-Pentanol	pentanol1
1386	C5H12O	2-Butanol, 3-methyl-	c598754
1387	C5H12O	2-Pentanol	peol2
1388	C5H12O	3-Pentanol	pentan3ol
1389	C5H12O	Butane, 1-methoxy-	meobu
1390	C5H12O	Propane, 1-ethoxy-	proet
1391	C5H12O	Propane, 2-methoxy-2-methyl-	c1634044
1392	C5H12S	1-Butanethiol, 2-methyl-	c1878188
1393	C5H12S	1-Butanethiol, 3-methyl-	c541311
1394	C5H12S	1-Pentanethiol	c110667
1395	C5H12S	1-Propanethiol, 2,2-dimethyl-	c1679089
1396	C5H12S	2-Butanethiol, 2-methyl-	c1679090
1397	C5H12S	2-Butanethiol, 3-methyl-	c2084186
1398	C5H12S	Butane, 1-(methylthio)-	c628295
1399	C5H12S	Ethyl propyl sulfide	c4110503
1400	C5H12S	Propane, 2-(ethylthio)-	c5145993
1401	C5H12S	Propane, 2-methyl-2-(methylthio)-	c6163640
1402	ClCOClCO	Oxalyl chloride	oxcl
1403	CF3CN	Acetonitrile, trifluoro-	cf3cn
1404	CF3CN+	Acetonitrile, trifluoro- cation	cf3cn+
1405	B2F4	Diboron tetrafluoride	b2f4
1406	B2Cl4	Diboron tetrachloride	b2cl4
1407	C2F4	Tetrafluoroethylene	c2f4
1408	C2F4+	Tetrafluoroethylene cation	c2f4+
1409	CF2CCl2	difluorodichloroethylene	cf2ccl2
1410	CFClCClF	trans-1,2-dichloro-1,2-difluoroethylene	cfclcclf
1411	CFClCFCl	cis-1,2-dichloro-1,2-difluoroethylene	cfclcfcl
1412	C2FCl3	fluorotrichloroethene	c2fcl3
1413	C2Cl4	Tetrachloroethylene	c2cl4
1414	CF3OF	Trifluoromethylhypofluorite	cf3of
1415	SOF4	Sulfur tetrafluoride oxide	sof4
1416	PF5	Phosphorus pentafluoride	pf5
1417	AsF5	Arsenic pentafluoride	asf5
1418	PCl5	Phosphorus pentachloride	pcl5
1419	SF5	Sulfur pentafluoride	sf5
1420	SF5+	pentafluoro sulfur cation	sf5+
1421	SbCl5	Antimony pentachloride	sbcl5
1422	BrF5	bromine pentafluoride	brf5
1423	ClF5	chlorinepentafluoride	clf5
1424	IF5	pentafluoroiodine	if5
1425	CF3CHO	trifluoroacetaldehyde	cf3cho
1426	CCl3CHO	trichloroacetaldehyde	ccl3cho
1427	CHFClCHClF	ethane, 1,2-dichloro-1,2-difluoro-	chfclchclf
1428	CF3CH2F	1,1,1,2-tetrafluoroethane	cf3ch2f
1429	CHF2CHF2	1,1,2,2-tetrafluoroethane	chf2chf2
1430	CF3CH2Cl	2,2,2-Trifluoroethyl chloride	cf3ch2cl
1431	CHFClCHFCl	1,2-dichloro-1,2-difluoroethane RR	chfclchfcl
1432	CHCl2CHF2	1,1-dichloro-2,2-difluoroethane	c2h2cl2f2
1433	CF3COOH	trifluoroacetic acid	cf3cooh
1434	C4H3ClO	Furan, 2-chloro	fur2cl
1435	C4H3ClO	Furan,3-chloro	fur3cl
1436	C3H5ClO2	Carbonochloridic acid, ethyl ester	c541413
1437	C3H5Cl3	Propane, 1,2,3-trichloro-	prcl135
1438	C4H8Cl2	1,4-Dichlorobutane	c110565
1439	C4H8Cl2	Butane, 1,2-dichloro-	c616217
1440	C4H8Cl2	Butane, 1,3-dichloro-	c1190223
1441	C4H8Cl2	Butane, 2,3-dichloro-, (r*,r*)-(.+/-.)-	c2211678
1442	C4H8Cl2	Butane, 2,3-dichloro-, (r*,s*)-	c4028562
1443	C4H9ClO	1-Chloro-2-ethoxyethane	c628342
1444	C5H11Cl	Pentane, 1-chloro-	pencl1
1445	C4H8O2	Butanoic acid	bua
1446	C6H5CH2	benzyl radical	benzyl
1447	C7H7	cycloheptatrienyl radical	c7h7
1448	C7H7+	cycloheptatrienyl cation	c7h7+
1449	C6H5CH3	toluene	toluene
1450	C7H8	cycloheptatriene	cht
1451	C7H8	Norbornadiene	norbor
1452	C7H8	Quadricyclane	qucy
1453	C7H12	Norbornane	nor
1454	C7H14	cycloheptane	c7h14
1455	C7H16	2-methylhexane	2mhex
1456	C7H16	3-methylhexane	hex3m
1457	C7H16	heptane	heptane
1458	C6H7N	2-Methylpyridine	mp
1459	C6H5NH2	aniline	aniline
1460	C6H13N	2-Methylpiperidine	pip2m
1461	C6H13N	cyclohexanamine	cham
1462	C6H15N	triethylamine	tea
1463	N2O5	Dinitrogen pentoxide	n2o5
1464	C4H2O3	Maleic Anhydride	malan
1465	C5H4O2	4-Cyclopentene-1,3-dione	cpdio
1466	C5H4O2	furfural	furfural
1467	C6H5O	phenoxy radical	phenoxy
1468	C5H5NO	2(1H)-Pyridinone	c72762006
1469	C5H5NO	2(3H)-Pyridinone	c9000048
1470	C5H5NO	2(5H)-Pyridinone	c9000037
1471	C5H5NO	2-Pyridinol	c109104
1472	C5H5NO	3(2H)-Pyridinone	c9000004
1473	C5H5NO	3(4H)-Pyridinone	c9000026
1474	C5H5NO	3(6H)-Pyridinone	c9000015
1475	C5H5NO	3-Pyridinol	c109002
1476	C5H5NO	4(1H)-Pryidinone	c9000060
1477	C5H5NO	4(3H)-Pryidinone	c9000059
1478	C5H5NO	4-Pyridinol	c626642
1479	C6H5OH	phenol	phenol
1480	C6H6O	2,4-Cyclohexadienone	c24599573
1481	C6H6O	2,5-Cyclohexadienone	c5664335
1482	C6H5SH	Benzenethiol	phsh
1483	HO2CCHNH2CH2OH	Serine	serine
1484	C5H8O2	Acetylacetone	acac
1485	C4H8O2S	Sulfolane	sulfolane
1486	C7H10	Norbornene	norbornene
1487	CH(C2H3)3	trivinyl methane	tvm
1488	C6H10O	cyclohexanone	chexo
1489	C6H12O	hexanal	c6h12o
1490	C3H7OC3H7	di-n-propyl ether	propr
1491	CF3COO-	trifluoro acetate anion	cf3coo-
1492	CF3COF	trifluoroacetyl fluoride	cf3cof
1493	CF3COCl	trifluoroacetyl chloride	cf3cocl
1494	PF6	Hexafluorophosphate neutral	pf6
1495	PF6-	Hexafluorophosphate ion	pf6-
1496	SeF6	Selenium hexafluoride	sef6
1497	SF5Cl	sulfur chloropentafluoride	sf5cl
1498	CF3CHF2	pentafluoroethane	cf3chf2
1499	CF3CHFCl	1,1,1,2-tetrafluorochloroethane	cf3chfcl
1500	CF3CHCl2	1,1-Dichloro-2,2,2-trifluoroethane	cf3chcl2
1501	CHCl2CClF2	Ethane, 1,2,2-trichloro-1,1-difluoro-	chcl2cclf2
1502	CCl3CHCl2	pentachloroethane	ccl3chcl2
1503	C6H5F	Fluorobenzene	bzf
1504	C6H5Cl	chlorobenzene	bzcl
1505	C6H5Br	bromobenzene	bzbr
1506	C8H6	Calicene	calicene
1507	C6H5CCH	phenylacetylene	phac
1508	C8H6	benzocyclobutadiene	bcbd
1509	C8H6	Pentalene	pentalene
1510	C6H5CHCH2	Styrene	styrene
1511	C8H8	cubane	cubane
1512	C8H8	cyclooctatetraene	cot
1513	C6H5CH2CH3	Ethylbenzene	etbz
1514	CH3C6H4CH3	meta-xylene	mxylene
1515	CH3C6H4CH3	paraxylene	pxylene
1516	C8H14	Bicyclo[2.2.2]octane	bico222
1517	C8H16	cyclooctane	cyclooct
1518	(CH3)3CC(CH3)3	tetramethylbutane	tmb
1519	C8H18	Octane	c8h18
1520	C6H5CN	phenyl cyanide	phcn
1521	C6H12N2	Triethylenediamine	ted
1522	C4O4--	squarate dianion	c4o4--
1523	S4N4	Tetrasulfur tetranitride	s4n4
1524	S8	Octasulfur	s8
1525	C6H4O2	parabenzoquinone	pbq
1526	C4H4N2O2	Uracil	uracil
1527	C6H5OCH3	Anisole	anisole
1528	C5H9NO2	Proline	proline
1529	C6H12O2	Methyl pivalate	c598981
1530	C6H12O2	Hexanoic acid	hexa
1531	C4F4	tetrafluorcyclobutadiene	c4f4
1532	Al2Cl6	Aluminum, di-μ-chlorotetrachlorodi-	al2cl6
1533	CF3CF2Cl	pentafluorochloroethane	cf3cf2cl
1534	CF2ClCF2Cl	1,2-Dichloro-1,1,2,2-tetrafluoroethane	cf2clcf2cl
1535	CF3CFCl2	1,1-Dichlorotetrafluoroethane	cf3cfcl2
1536	CF2ClCFCl2	Ethane, 1,1,2-trichloro-1,2,2-trifluoro-	cf2clcfcl2
1537	CF3CCl3	1,1,1-trifluoro-2,2,2-trichloroethane	cf3ccl3
1538	C2F6	hexafluoroethane	c2f6
1539	IF7	Iodine heptafluoride	if7
1540	C6H4F2	metadifluorobenzene	mdfb
1541	C6H4F2	orthodifluorobenzene	odfb
1542	C6H4F2	1,4-difluorobenzene	pdfb
1543	C6H4Cl2	1,2-dichlorobenzene	dcb12
1544	C6H4Cl2	1,3-dichlorobenzene	dcb13
1545	C6H4Cl2	1,4-dichlorobenzene	dcb14
1546	C9H8	Indene	indene
1547	C9H8	spiro[4.4]nona-1,3,6,8-tetraene	snt
1548	C9H12	n-propyl benzene	prbz
1549	C9H20	Nonane	nonane
1550	C(CN)4	tetracyanomethane	c5n4
1551	C5H4N4	purine	purine
1552	C8H7N	Indole	indole
1553	C3H3N3O3	cyanuric acid	cyanuric
1554	C6H5NO2	Nitrobenzene	c6h5no2
1555	C6H5COOH	benzoic acid	benzo
1556	CH3COC6H5	acetophenone	acph
1557	C3Cl3N3	1,3,5-Triazine, 2,4,6-trichloro-	c3cl3n3
1558	C6H3F3	Benzene trifluoride 123	bzf3a
1559	C10H8	Azulene	azu
1560	C10H8	naphthalene	naph
1561	C10H16	adamantane	adamantane
1562	C6N4	Tetracyanoethylene	tcne
1563	C6N4-	tetracyanoethylene anion	tcne-
1564	C10H22	Decane	decane
1565	C4F6	perfluorobutadiene	c4f6
1566	SF5CF3	Sulfur, pentafluoro(trifluoromethyl)-	sf5cf3
1567	C3F8	perfluoropropane	c3f8
1568	Fe(CO)5	Iron pentacarbonyl	ipc
1569	Fe(C5H5)2	ferrocene	fecp2
1570	B12H12--	Dodecahydrododecaborate(2-)	b12h12--
1571	B12H12--	Dodecahydrododecaborate(2-)	b12h12--
1572	C12H8	Acenaphthylene	acenaph
1573	C12H8	biphenylene	biph
1574	C12H10	biphenyl	biphenyl
1575	C12H10	Heptalene	heptalene
1576	C6H12O6	Inositol	inositol
1577	C6F6	hexafluorobenzene	c6f6
1578	S2F10	disulphur decafluoride	s2f10
1579	C13H10	Fluorene	fluorene
1580	C14H10	Anthracene	anth
1581	C14H10	Phenanthrene	phenanthrene
1582	C14H14	Bibenzyl	bibenzyl
1583	C12H10N2	azobenzene	azobenzene
1584	C6H5COC6H5	benzophenone	benzophenone
1585	C16H10	Pyrene	pyrene
1586	C18H12	Tetracene	tetracene
1587	C19H16	Triphenylmethane	tpm
1588	C24H12	Coronene	coronene
1589	C60	Buckminsterfullerene	c60