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
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IX	Feedback
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XII	Geometries
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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.)

List of which calculations are completed at B3LYPultrafine /6-31G(2df,p)

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count	Species	Name	State	Conformation
1	H	Hydrogen atom	1S	Kh
2	H+	Hydrogen atom cation		Kh
3	H2	Hydrogen diatomic	1Σg	D∞h
4	He	Helium atom	1S	Kh
5	He	Helium atom
6	He+	Helium atom cation	2S	Kh
7	HeH+	Helium hydride cation	1Σ	C∞v
8	He2+	helium diatomic cation	2Σu	D∞h
9	Li	Lithium atom	2S	Kh
10	Li+	Lithium atom cation	1S	Kh
11	Na	Sodium atom	2S	Kh
12	Na+	Sodium atom cation	1S	Kh
13	K	Potassium atom	2S	Kh
14	Cu	Copper atom	2S	Kh
15	LiH	Lithium Hydride	1Σ	C∞v
16	KH	Potassium hydride	1Σ	C∞v
17	Be	Beryllium atom	1S	Kh
18	Be+	Beryllium atom cation	2S	Kh
19	Mg	Magnesium atom	1S	Kh
20	Mg+	Magnesium atom cation	2S	Kh
21	Ca	Calcium atom	1S	Kh
22	Zn	Zinc atom	1S	Kh
23	MgH	magnesium monohydride	2Σ	C∞v
24	ZnH+	Zinc, protonated
25	BeH2+	Beryllium dihydride cation
26	B	Boron atom	2P	Kh
27	B	Boron atom	4P	Kh
28	B+	Boron atom cation	1S	Kh
29	Al	Aluminum atom	2P	Kh
30	Al-	Aluminum atom anion	3P	Kh
31	Al+	Aluminum atom cation	1S	Kh
32	Ga	Gallium atom	2P
33	Ga-	Gallium atom anion	3P	Oh
34	Ga+	Gallium atom cation	1S
35	GaH	Gallium monohydride	1Σ	C∞v
36	GaH+	Gallium monohydride cation	2Σ	C∞v
37	BH3+	boron trihydride cation	2B2	C2v
38	BH3+	boron trihydride cation		C2v
39	AlH3-	aluminum trihydride anion		C3v
40	BH4-	borohydride anion	1A1	Td
41	C	Carbon atom	3P0	Kh
42	C	Carbon atom	3P1	Kh
43	C+	Carbon atom cation	2P	Kh
44	Si	Silicon atom	3P	Kh
45	Si	Silicon atom	1S	Kh
46	Si-	Silicon atom anion	4S	Kh
47	Si+	Silicon atom cation	2P	Kh
48	Ti	Titanium atom	3F	Kh
49	Ge	Germanium atom	3P	Kh
50	Ge-	Germanium anion	4S	Kh
51	Ge+	Germanium cation	2P	Kh
52	CH	Methylidyne	2Π1/2	C∞v
53	SiH	Silylidyne	2Π	C∞v
54	GeH	germylidene	2Π	C∞v
55	CH2-	methylene anion	2B1	C2v
56	GeH2	germylene	1A1	C2v
57	CH3	Methyl radical	2A1	D3h
58	SiH3	Silyl radical	2A1	C3v
59	SiH3+	Silyl cation	1A1'	D3h
60	GeH3	Germyl radical	2A1	C3v
61	GeH3+	germyl cation	1A1'	D3h
62	CH4	Methane	1A1	Td
63	SiH2D2	silane-d2
64	SiH4	Silane	1A1	Td
65	GeH4	Germane	1A1	Td
66	SiH5+	Silane, protonated
67	N	Nitrogen atom	4S	Kh
68	N+	Nitrogen atom cation	3P	Kh
69	P	Phosphorus atom	4S	Kh
70	As	Arsenic atomic	4S	Kh
71	As-	Arsenic anion	3P	Kh
72	As+	Arsenic cation	3P	Kh
73	PH	phosphorus monohydride	3Σ-	C∞v
74	AsH	Arsenic monohydride	3Σ	C∞v
75	NH2	Amino radical	2B1	C2v
76	NH2+	Amino cation	3B1	C2v
77	NH2+	Amino cation	1A1	C2v
78	NH3	Ammonia	1A1	C3v
79	PH3	Phosphine	1A1	C3v
80	PH3+	Phosphine cation	2A1	C3v
81	AsH3	Arsine	1A1	C3v
82	AsH3+	Arsine cation	2A1	C3v
83	AsH4+	Arsonium
84	NH4	Ammonium radical
85	PH4	Phosphoranyl radical
86	O	Oxygen atom	3S	Kh
87	O+	Oxygen atom cation	4S	Kh
88	S	Sulfur atom	3P	Kh
89	S	Sulfur atom
90	Se	Selenium atom	3P	Kh
91	Se-	Selenium atom anion	2P	Kh
92	Se+	Selenium atom cation	4S	Kh
93	OH	Hydroxyl radical	2Π	C∞v
94	OH+	hydoxyl cation	3Σ	C∞v
95	HS-	mercapto anion	1Σ	C∞v
96	HS+	sulfur monohydride cation	3Σ	C∞v
97	CrH	Chromium hydride	6Σ	C∞v
98	HSe	Selenium monohydride	2Π	C∞v
99	HSe-	selenium monohydride anion	1Σ	C∞v
100	HSe+	selenium monohydride cation	3Σ	C∞v
101	H2O	Water	1A1	C2v
102	H2O-	water anion	2A1	C2v
103	H2O-	water anion	2A'	Cs
104	H2O+	water cation	2B1	C2v
105	HDO	Water-d1	1A1	C2v
106	H2S	Hydrogen sulfide	1A1	C2v
107	H2Se	Hydrogen selenide	1A1	C2v
108	H2Se+	Hydrogen selenide cation	2B1	C2v
109	H3S+	Sulfonium cation	1A1	C3v
110	H3Se+	Hydrogen Selenide, protonated	1A1	C3v
111	F	Fluorine atom	2P	Kh
112	F-	Fluorine atom anion	1S	Kh
113	F+	Fluorine atom cation	3S	Kh
114	Cl	Chlorine atom	2P	Kh
115	Cl-	Chlorine atom anion	1S	Kh
116	Cl+	Chlorine atom cation	3P	Kh
117	Br	Bromine atom	2P	Kh
118	Br-	Bromine atom anion	1S	Kh
119	Br+	Bromine atom cation	3P	Kh
120	HF	Hydrogen fluoride	1Σ	C∞v
121	HF-	hydrogen fluoride anion	2Σ	C∞v
122	HF+	hydrogen fluoride cation	2Π	C∞v
123	HCl	Hydrogen chloride	1Σ	C∞v
124	HCl-	hydrogen chloride anion	2Σ	C∞v
125	HCl+	hydrogen chloride cation	2Π	C∞v
126	HBr	hydrogen bromide	1Σ	C∞v
127	HBr-	hydrogen bromide anion	2Σ	C∞v
128	HBr+	hydrogen bromide cation	2Π	C∞v
129	H2Cl+	dihydrogen monochloride cation	1A1	C2v
130	H2Br+	protonated hydrogen bromide	2A1	C2v
131	Ne	Neon atom	1S	Kh
132	Ne	Neon atom
133	Ne+	Neon atom cation	2P	Kh
134	Ar	Argon atom	1S	Kh
135	Kr	Krypton atom	1S	Kh
136	Kr+	Krypton cation	2P	Kh
137	HeLi+	Helium Lithium cation
138	ArH+	Argon hydride cation	1Σ	C∞v
139	KrH+	Protonated Krypton	1Σ	C∞v
140	NaLi	lithium sodium	1Σ	C∞v
141	Na2	Sodium diatomic	1Σg	D∞h
142	Na2-	sodium diatomic anion	2Σu	D∞h
143	LiAl	Lithium Aluminum
144	HBBH	Diborane(2)	3ΣG	D∞h
145	B2H4	Diborane(4) D2d	1A1	D2d
146	B2H6	Diborane	1Ag	D2h
147	B2H6+	Diborane cation
148	CaC	Calcium monocarbide
149	BSi	Boron silicide	4Σ	C∞v
150	BSi	Boron silicide	2Σ	C∞v
151	GeC	Germanium monocarbide	1Σ	C∞v
152	SiGe	Silicon Germanium
153	C2H-	Ethynyl anion	1Σ	C∞v
154	C2H+	Ethynyl cation	1Σ	C∞v
155	C2H2	Acetylene	1Σg	D∞h
156	C2H2+	acetylene cation	2Πu	D∞h
157	C2H2+	acetylene cation
158	H2CC-	vinylidene anion
159	HCCH-	acetylene anion
160	HCCH-	acetylene anion
161	Si2H2	disilyne
162	Si2H2	disilyne
163	Si2H2	disilyne
164	Si2H2	disilyne
165	CH3Li	methyl lithium	1A1	C3v
166	C2H3	vinyl	2A'	Cs
167	C2H3+	vinyl cation	1A1	C2V bridging H
168	C2H3+	vinyl cation	1A1	C2V HCCH2
169	C2H4	Ethylene	1Ag	D2h
170	Si2H4	Disilene
171	Si2H4	Disilene
172	Si2H4	Disilene
173	C2H5	Ethyl radical	2A'	Cs
174	C2H6	Ethane	1A1g	D3d
175	Si2H6	disilane	1Eu	D3d
176	LiN	Lithium Nitride	3Σ	C∞v
177	LiP	Lithium monophosphide
178	LiP	Lithium monophosphide
179	MgN	Magnesium Nitride
180	MgN	Magnesium Nitride
181	GaAs	Gallium arsenide	3Π
182	GaAs	Gallium arsenide	1Σ
183	CN	Cyano radical	2Σ	C∞v
184	SiP	Silicon monophosphide	2Π	C∞v
185	N2	Nitrogen diatomic	1Σg	D∞h
186	N2	Nitrogen diatomic
187	PN	Phosphorus mononitride	1Σ	C∞v
188	HCN	Hydrogen cyanide	1Σ	C∞v
189	HCN+	hydrogen cyanide cation	2Π	C∞v
190	HNC+	hydrogen isocyanide cation
191	HCP+	Phosphaethyne cation
192	NNH+	Dinitrogen monohydride cation	1Σ	C∞v
193	LiNH2	lithium amide
194	HBNH	Boranimine	1Σ	C∞v
195	H2NN	Isodiazene
196	CH2NH	Methanimine	1A'	Cs
197	CH2NH+	Methanimine cation
198	CHNH2	aminomethylene
199	CHNH2+	Aminocarbene cation
200	BH2NH2	Boranamine
201	CH3NH2	methyl amine	1A'	Cs
202	SiH3NH2	Silane, amino
203	BH3PH3	borane phosphine
204	BH3NH3	borane ammonia	1A1	C3v
205	CH3NH3	methyl ammonium radical	2A1	C3v
206	N2H7+	ammonia ammonium dimer
207	LiSe	Lithium monoselenide
208	CaO	Calcium monoxide	1Σ	C∞v
209	CaS	Calcium sulfide	1Σ	C∞v
210	BO	boron monoxide	2Σ	C∞v
211	GaO	Gallium monoxide	2Σ	C∞v
212	GaS	Gallium monosulfide
213	CO	Carbon monoxide	1Σ	C∞v
214	CO+	carbon monoxide cation	2Σ	C∞v
215	SiO	Silicon monoxide	1Σ	C∞v
216	SiS	silicon monosulfide	1Σ	C∞v
217	CSe	Carbon monoselenide	1Σ	C∞v
218	GeO	Germanium monoxide	1Σ	C∞v
219	SiSe	Silicon Monoselenide
220	SiSe+	Silicon Monoselenide cation
221	GeSe	Germanium monoselenide
222	NO	Nitric oxide	2Π	C∞v
223	NO-	nitric oxide anion	3Σ	C∞v
224	NO+	nitric oxide cation	1Σ	C∞v
225	PS	phosphorus sulfide	2Σ	C∞v
226	O2	Oxygen diatomic	3Σg	D∞h
227	O2--	dioxygen dianion
228	SO	Sulfur monoxide	3Σ	C∞v
229	SO	Sulfur monoxide	1Σ	C∞v
230	SO+	sulfur monoxide cation	2Π	C∞v
231	S2	Sulfur diatomic	3Σg	D∞h
232	SeO	Selenium monoxide	3Σ	C∞v
233	Se2	Selenium diatomic	3Σg	D∞h
234	LiOH	lithium hydroxide	1Σ	C∞v
235	KOH	Potassium hydroxide	1Σ	C∞v
236	BeOH	beryllium monohydroxide	2A'	Cs
237	HBO	Boron hydride oxide	1Σ	C∞v
238	HBS	hydrogen boron sulfide	1Σ	C∞v
239	COH	Hydroxymethylidyne
240	HCO	Formyl radical	2A'	Cs
241	HCO-	formyl anion	1A'	Cs
242	HCO+	Formyl cation	1Σ	C∞v
243	HNO	Nitrosyl hydride	1A'	Cs
244	HNO+	Nitrosyl hydride cation	2A'	Cs
245	HSO+	Sulfur Monoxide, S-protonated
246	SOH	Sulfur Hydroxide
247	SOH+	Sulfur Monoxide, protonated
248	H2CO	Formaldehyde	1A1	C2v
249	H2CO-	formaldehyde anion	2A'	Cs
250	H2CO-	formaldehyde anion
251	H2CO+	formaldehyde cation	2B2	C2v
252	H2CS	Thioformaldehyde	1A1	C2v
253	H2CS-	thioformaldehyde anion
254	H2CS-	thioformaldehyde anion
255	H2CSe	Selenoformaldehyde
256	H2O2	Hydrogen peroxide	1A	C2
257	H2O2	Hydrogen peroxide	1Ag	C2h
258	H2OO	water oxide
259	HOSH	hydrogen thioperoxide
260	H2Se2	hydrogen diselenide
261	NH2OH	hydroxylamine	1A'	Cs
262	NH2OH+	Hydroxylamine cation
263	NH2SH	Thiohydroxylamine
264	NH2SH	Thiohydroxylamine
265	NH3S	sulfidoazane
266	CH3OH	Methyl alcohol	1A'	Cs
267	CH3OH+	Methyl alcohol cation	2A"	Cs
268	CH3SH	Methanethiol	1A'	Cs
269	SiH3OH	silanol
270	NH2OH2+	protonated hydroxylamine
271	NH3OH+	N-protonated hydroxylamine
272	H5O2+	Dihydroxonium ion	1A	C2
273	LiF	lithium fluoride	1Σ	C∞v
274	LiCl	lithium chloride	1Σ	C∞v
275	NaF+	sodium fluoride cation	2Σ	C∞v
276	LiBr	Lithium Bromide	1Σ	C∞v
277	LiF+	lithium fluoride cation	2Π	C∞v
278	CaBr	Calcium monobromide
279	BF	Boron monofluoride	1Σ	C∞v
280	AlF	Aluminum monofluoride	1Σ+	C∞v
281	GaF	Gallium monofluoride	1Σ	C∞v
282	AlBr	Aluminum monobromide
283	GaCl	Gallium monochloride	1ΣG	C∞v
284	GaBr	Gallium monobromide
285	CF	Fluoromethylidyne	2Π	C∞v
286	SiCl	Clorosilylidyne	2Π	C∞v
287	CBr	Carbon monobromide	2Π	C∞v
288	GeF	Germanium monofluoride	2Π	C∞v
289	GeCl	Germanium monochloride	2Π	C∞v
290	GeCl+	Germanium monochloride cation
291	SiBr	Silicon monobromide	2Π	C∞v
292	SiBr+	Silicon monobromide cation
293	NCl	nitrogen monochloride	3Σ	C∞v
294	PBr	Phosphorus monobromide
295	ClO	Monochlorine monoxide	2Π	C∞v
296	ClO+	chlorine monoxide cation	3Σ	C∞v
297	SF	Monosulfur monofluoride	2Π	C∞v
298	SF+	sulfur monofluoride cation	3Σ	C∞v
299	SCl+	sulfur monochloride cation	3Σg	C∞v
300	BrO	Bromine monoxide	2Π	C∞v
301	BrO+	Bromine monoxide cation
302	SBr	Sulfur monobromide radical
303	SBr+	Sulfur monobromide cation
304	SeBr	Selenium monobromide
305	BrCl	Bromine monochloride	1Σ	C∞v
306	F2	Fluorine diatomic	1Σg	D∞h
307	F2+	flourine diatomic cation	2Πg	D∞h
308	ClF	Chlorine monofluoride	1Σ+	C∞v
309	ClF+	clorine monofluoride cation	2Π	C∞v
310	Cl2	Chlorine diatomic	1Σg	D∞h
311	Cl2+	chlorine diatomic cation	2Πg	D∞h
312	BrF	Bromine monofluoride	1Σ	C∞v
313	Br2	Bromine diatomic	1Σg	D∞h
314	Br2-	bromine diatomic anion	2Σu	D∞h
315	Br2+	bromine diatomic cation	2Πg	D∞h
316	HCF	Fluoromethylene	1A'	Cs
317	HCF	Fluoromethylene	3A"	Cs
318	HSiF	fluorosilylene
319	HSiCl	Chlorosilylene
320	HSiBr	monobromosilylene
321	HOF	Hypofluorous acid	1A'	Cs
322	HOCl	hypochlorous acid	1A'	Cs
323	HOCl+	hypochlorous acid cation
324	F2H+	Fluorine, protonated	1A'	Cs
325	ClFH+	Chlorine fluoride, F-protonated
326	FClH+	Chlorine fluoride, Cl-protonated
327	Cl2H+	Chlorine, protonated	1A'	Cs
328	CH2Br	bromomethyl radical
329	CH2F	fluoromethyl radical	2A	Cs
330	CH2F+	fluoromethyl cation
331	CH2Cl+	chloromethyl cation
332	CH2Cl	chloromethyl radical	2A'	Cs
333	CH2Cl	chloromethyl radical	2B1	C2v
334	NH2Cl	chloramine	1A'	Cs
335	CH3F+	methyl fluoride cation
336	CH3F	Methyl fluoride	1A1	C3v
337	CH3Cl	Methyl chloride	1A1	C3v
338	CH3Cl+	Methyl chloride cation
339	SiH3F	monofluorosilane	1A1	C3v
340	SiH3Cl	chlorosilane	1A1	C1
341	CH3Br	methyl bromide	1A1	C3v
342	GeH3F	monofluorogermane
343	GeH3Cl	monochlorogermane
344	NH3Cl+	protonated monochloroammonia
345	CH3ClH+	methyl chloride, protonated
346	NH4Cl	Ammonium chloride
347	LiNe+	Lithium Neon cation
348	Ar2	Argon diatomic	1Sg	D∞h
349	C3	carbon trimer	1Σg	D∞h
350	C3	carbon trimer	1A1	C2v
351	SiC2	Silicon dicarbide
352	C3H4	cyclopropene	1A1	C2v
353	CH2CCH2	allene	1A1	D2d
354	CH3CCH	propyne	1A'	C3v
355	C3H5	Allyl radical	2A2	C2v
356	C3H6	Cyclopropane	1A1'	D3h
357	CH2CHCH3	Propene	1A'	Cs
358	C3H7	n-Propyl radical	2A"	C1
359	CH3CHCH3	Isopropyl radical	2A	C2
360	C3H8	Propane	1A1	C2v
361	Si3H8	trisilane
362	ZnCN	Zinc monocyanide	2Σ	C∞v
363	ZnNC	Zinc isocyanide	2Σ	C∞v
364	AlCN	Aluminum monocyanide
365	AlNC	Aluminum isocyanide
366	CNN	Diazocarbene
367	HN3	hydrogen azide	1A'	Cs
368	HN3+	Hydrazoic acid cation
369	HNCNH	diiminomethane	1A	C2
370	HNNNH+	1,2-Triazadienium
371	NH2NN+	hydrazoic acid, protonated
372	CH3CN	Acetonitrile	1A1	C3v
373	CH3CN-	acetonitrile anion	2E	C3v
374	CH3CN-	acetonitrile anion	2A'	Cs
375	CHNCH2	2H-Azirine
376	CHNHCH	1H-Azirine
377	H2CCNH	Ethenimine
378	H2CNCH	methyleneaminomethylene
379	HCCNH2	Ethynamine
380	HCNCH2+	2H-Azirine cation
381	NH2CNH+	cyanamide, cn protonated
382	NH3CN+	cyanamide, amine protonated
383	C2H6N+	aziridine, protonated	1A1	C2v
384	CH3CH2NH2	Ethylamine
385	Na2S	Sodium sulfide
386	Na2S	Sodium sulfide
387	LiO2	Lithium dioxide
388	NaO2	Sodium superoxide
389	NCO	isocyanato radical	2Π	C∞v
390	N2O	Nitrous oxide	1Σ	C∞v
391	CO2	Carbon dioxide	1Σg	D∞h
392	OCS	Carbonyl sulfide	1Σ	C∞v
393	CS2	Carbon disulfide	1Σg	D∞h
394	GeO2	Germanium dioxide	1Σg	D∞h
395	OCSe	Carbonyl selenide	1Σ	C∞v
396	SCSe	Carbon sulfide selenide
397	NO2	Nitrogen dioxide	2A1	C2v
398	NSO	sulfinyl amidogen
399	SNO	Nitrogen oxide sulfide
400	SO2	Sulfur dioxide	1A1	C2v
401	SSO	Disulfur monoxide	1A'	Cs
402	S3	Sulfur trimer	1A1	C2v
403	S3	Sulfur trimer
404	SeO2	Selenium dioxide	1A1	C2v
405	HCCO	ketenyl radical	2Π	C∞v
406	HCCO	ketenyl radical	2A"	Cs
407	HCNO	fulminic acid	1Σ	C∞v
408	HNCS	Isothiocyanic acid
409	HSCN	thiocyanic acid	1A'	Cs
410	HOCO	Hydrocarboxyl radical	1A'	cis
411	HOCO	Hydrocarboxyl radical	1A'	trans
412	O3H+	protonated ozone	1A'	Cs
413	O3H+	protonated ozone
414	C2H2O	Oxirene	1A1	C2v
415	CH2CO	Ketene	1A1	C2v
416	CH2CS	Thioketene
417	Be(OH)2	Beryllium hydroxide
418	Be(OH)2	Beryllium hydroxide
419	HCOOH	Formic acid	1A'	Cs
420	HCOOH	Formic acid
421	BH3CO	Borane carbonyl	1A1	C3v
422	CH2COH+	ketene, protonated
423	HOCHNH	hydroxymethylimine	1A'	CS H all up
424	CHSNH2	thioformamide
425	NHCHSH	Methanimidothioic acid
426	C2H4O	Ethylene oxide	1A1	C2v
427	C2H4O+	ethylene oxide cation
428	CH3CHO	Acetaldehyde	1A'	Cs
429	CH3CHO+	acetaldehyde cation
430	H2COCH2+	Methyl, (methyleneoxoniumyl)-
431	C2H4S	Thiirane	1A1	C2v
432	CH2CHSH	Ethenethiol
433	CH3CHS	Thioacetaldehyde	1A'	C1
434	NH2CHOH+	Formamide, O-protonated
435	CH3SSH	Hydrogen methyl disulfide
436	HSCH2SH	Methanedithiol
437	C2H4OH+	ethylene oxide, protonated	1A'	Cs
438	NH2CH2OH	aminomethanol
439	CH3CH2OH	Ethanol	1A'	Cs
440	CH3OCH3	Dimethyl ether	1A1	C2v
441	CH3CH2SH	ethanethiol	1A'	Cs
442	CH3CH2SH	ethanethiol	1A	C1
443	CH3SCH3	Dimethyl sulfide	1A1	C2v
444	CH3SCH3+	dimethyl sulfide cation
445	BrCN	Cyanogen bromide	1Σ	C∞v
446	FBO	Boron monofluoride monoxide
447	BeBr2	Beryllium bromide
448	CaBr2	Calcium dibromide
449	BF2	Boron difluoride radical	2A1	C2v
450	FNO	Nitrosyl fluoride	1A'	Cs
451	ClNO	Nitrosyl chloride	1A'	Cs
452	FSN	Thiazyl fluoride	1A'	Cs
453	OPCl	Phosphorus oxychloride
454	CF2	Difluoromethylene	1A1	D∞h
455	SiF2	Silicon difluoride	1A1	C2v
456	GeCl2	Germanium dichloride	1A1	C2v
457	FOO+	Fluorine dioxide cation
458	OClO	Chlorine dioxide	2B1	D∞h
459	OClO-	Chlorine dioxide anion	1A'	Cs
460	BrOO	Bromine dioxide
461	OBrO	Bromine dioxide radical	2B1	C2v
462	PF2	Phosphorus difluoride
463	PF2+	Phosphorus difluoride cation
464	SF2	sulfur difluoride	1A1	C2v
465	SeF2	Selenium difluoride
466	SeCl2	Selenium Dichloride
467	SBr2	Sulfur dibromide
468	SeBr2	Selenium dibromide
469	Br3-	tribromide anion
470	SFCl	Sulfur chloride fluoride
471	HCCF	Fluoroacetylene	1Σ	C∞v
472	CHF2	difluoromethyl radical	2A	Cs
473	CHF2+	difluoromethyl cation
474	CHFCl	Chlorofluoromethyl radical
475	CHFCl+	Chlorofluoromethyl cation
476	CHCl2+	dichloromethyl cation
477	CHBr2	dibromomethyl radical
478	NHF2	difluoramine
479	NHCl2	dichloroamine
480	CH2F2	Methane, difluoro-	1A1	C2v
481	SiH2F2	difluorosilane
482	CH2Cl2	Methylene chloride	1A1	C2v
483	CH2BrCl	Methane, bromochloro-	1A'	Cs
484	CH2Br2	dibromomethane	1A1	C2v
485	CH3MgBr	Methyl Magnesium Bromide
486	CH2CHF	Ethene, fluoro-	1A'	Cs
487	CH2FOH	fluoromethanol
488	C2H5Br	Ethyl bromide	1A'	Cs
489	C4	Carbon tetramer	3Σg	D∞h
490	C4	Carbon tetramer
491	C4H2+	diacetlyene cation	2Πg	D∞h
492	C4H4	Tetrahedrane
493	C4H6	1-Methylcyclopropene	1A	C1
494	CH2CHCH2CH3	1-Butene	1A	C1
495	CH3CH2CH2CH3	Butane	1Ag	Anti
496	As4	Arsenic tetramer	1A1	Td
497	H2CNCN	cyanamide, methylene
498	HNCCNH	Ethenediimine
499	C2H5CN	ethyl cyanide	1A'	Cs
500	H2NCHCHNH2	diaminoethylene
501	N(SiH3)3	trisilylamine
502	K2O2	dipotassium dioxide
503	ONNO	NO dimer	1Ag	trans C2H
504	ONNO	NO dimer	1A1	cis C2V
505	CS3--	Carbonotrithioate
506	SO3	Sulfur trioxide	1A1'	D3h
507	SO3--	Sulfate dianion
508	S4	Sulfur tetramer
509	S4	Sulfur tetramer
510	S4	Sulfur tetramer
511	HNO3	Nitric acid	1A'	Cs
512	C3H2O	Propadienal
513	C3H2O	Propadienal
514	C2H2O2	Ethanedial	1Ag	C2h
515	C2H3NO	Nitrosoethylene
516	CH3NCO	methylisocyante
517	HOCH2CN	cyanomethanol
518	CH3NO2	Methane, nitro-	1A'	Cs
519	H3AlO3	Aluminum hydroxide
520	CH2CHCHO	Acrolein	1A'	Cs
521	CH2CHCHO	Acrolein
522	CH2C(OH)NH2	1-amino vinyl alchohol
523	CH3C(OH)=NH	Ethaninidic acid
524	CH3CSNH2	Ethanethioamide
525	CH3CH2CHO	Propanal	1A'	Cs
526	CH3COCH3	Acetone	1A1	C2v
527	CH3SOCH3	Dimethyl sulfoxide	1A'	Cs
528	C3H7OH	1-Propanol
529	Li2F2	Lithium fluoride dimer
530	CF2O	Carbonic difluoride	1A1	C2v
531	CF2O+	Carbonic difluoride cation
532	BF3	Borane, trifluoro-	1A'	D3h
533	BF3+	boron trifluoride cation
534	AlF3	Aluminum trifluoride	1A1'	D3h
535	BClF2	Chlorodifluoroborane
536	BCl3	Borane, trichloro-	1A1'	D3h
537	BCl3+	Boron Trichloride cation
538	GaF3	Gallium trifluoride	1A1'	D3h
539	GaCl3	Gallium trichloride	1A1'	D3h
540	CF2Cl	difluorochloromethyl radical
541	CFCl2	dichlorofluoromethyl radical
542	CBr3	tribromomethyl radical
543	SSCl2	Thiothionyl chloride
544	NF3	Nitrogen trifluoride	1A1	C3v
545	NCl3	nitrogen trichloride	1A1	C3v
546	NBr3	Nitrogen Tribromide	1A1	C3v
547	HClO3	Chloric Acid	1A'	Cs
548	HClO3	Chloric Acid	1A	C1
549	CHF3	Methane, trifluoro-	1A1	C3v
550	SiHF3	trifluorosilane
551	CHCl3	Chloroform	1A1	C3v
552	CHBrF2	Methane, bromodifluoro-	1A'	Cs
553	CHFClBr	fluorochlorobromomethane	1A	C1
554	CHBrCl2	Methane, bromodichloro-	1A'	Cs
555	CHBr2F	dibromofluoromethane
556	AsF3H+	Arsenic trifluoride, protonated
557	CHBrCHBr	Ethene, 1,2-dibromo-, (E)-
558	CHBrCHBr	Ethene, 1,2-dibromo-, (Z)-
559	C2H4F2	1,2-difluoroethane	1Ag	C2H anti
560	C2H4F2	1,2-difluoroethane	1A	C2 gauche
561	CH3CHF2	Ethane, 1,1-difluoro-	1A'	Cs
562	CH2BrCH2Cl	1-bromo-2-chloroethane
563	CH2BrCH2Cl	1-bromo-2-chloroethane
564	CH2BrCH2Br	Ethane, 1,2-dibromo-	1Ag	C2h
565	CH2BrCH2Br	Ethane, 1,2-dibromo-	1A	C2
566	CH2CHCH2F	Allyl Fluoride
567	CH2CHCH2F	Allyl Fluoride
568	CH3CHCHF	trans-1-Fluoro-1-propene
569	CH2FCH2OH	2-fluoroethanol
570	CH2FCH2CH3	1-Fluoropropane
571	CH3CHFCH3	2-Fluoropropane	1A'	Cs
572	CH3CHClCH3	Propane, 2-chloro-	1A'	Cs
573	B5H9	pentaborane9
574	C5H4	pentatetraene
575	C5H8	Bicyclo[1.1.1]pentane
576	C4H5N	Pyrrole	1A1	C2v
577	C3O2	Carbon suboxide	1ΣG	D∞h
578	B2O3	diboron trioxide
579	B2O3	diboron trioxide
580	CHOOCHO	diformyl ether
581	C3H3NO	Isoxazole	1A'	Cs
582	C3H3NS	Thiazole
583	C4H4O	Furan	1A1	C2
584	C4H4Se	selenophene
585	HCOOC2H5	Ethyl formate	1A'	Cs
586	C2H6O2S	Dimethyl sulfone	1A1	C2v
587	C4H8S	Thiophene, tetrahydro-	1A	C1
588	C4H10O	Ethoxy ethane	1A1	C2v
589	C4H10O	Methyl propyl ether	1A	C1
590	C4H9SH	1-Butanethiol
591	CF3Cl	Methane, chlorotrifluoro-	1A1	C3v
592	CF2Cl2	difluorodichloromethane	1A1	C2v
593	CF3Br	Bromotrifluoromethane	1A1	C3v
594	GeF4	Germanium tetrafluoride	1A1	Td
595	CCl4	Carbon tetrachloride	1A1	Td
596	CBrCl2F	bromodichlorofluoromethane
597	CBr2ClF	dibromochlorofluoromethane
598	CBr2Cl2	dibromodichloromethane	1A1	C2v
599	CBr3Cl	tribromochloromethane	1A1	C3v
600	CBr4	Carbon tetrabromide	1A1	Td
601	GeBr4	Germanium tetrabromide
602	SF4	Sulfur tetrafluoride	1A1	C2v
603	SeF4	Selenium tetrafluoride
604	SCl4	Sulfur tetrachloride
605	CH2ClCCCl	1,3-dichloropropyne
606	CHCl2CCH	3,3-dichloropropyne
607	CHCl2CHO	dichloroacetaldehyde
608	CHF2CH2F	Ethane, 1,1,2-trifluoro	1A	C1
609	CHF2CH2F	Ethane, 1,1,2-trifluoro	1A'	Cs
610	CH2CClCHCH2	1,3-Butadiene, 2-chloro-
611	CH2FCH2CH2F	1,3-difluoropropane
612	CH3CCl2CH3	Propane, 2,2-dichloro-	1A1	C2v
613	C2H2N2O	Furazan
614	C6H6	Prismane
615	C6H6	1,2,4,5-Hexatetraene	1Ag	C2h
616	C6H6	Benzene	1A1g	D6h
617	C6H6	Dewar Benzene
618	N3P3	1,3,5,2,4,6-Triazatriphosphorine
619	N2O4	Dinitrogen tetroxide	1Ag	D2d
620	C3H2O3	vinylene carbonate
621	C5H6O	2H-Pyran
622	C5H6O	Pentadienal
623	C4H6O2	γ–Butyrolactone	1A	C1
624	C3H6O3	1,3,5-Trioxane	1A1	C1
625	C4H8O2	Ethyl acetate	1A'	Cs
626	C5H10O	3-Pentanone	1A1	C2v
627	C4F2	difluorobutadiyne
628	C2ClF3	Ethene, chlorotrifluoro-
629	C2Br4	tetrabromoethene
630	SiF5-	silicon pentafluoride anion
631	PF5	Phosphorus pentafluoride	1A1'	D3h
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	C5H4O2	furfural	1A'	OCCO cis
638	C5H4O2	furfural	1A'	OCCO trans
639	C6H12O	Oxepane
640	SF6	Sulfur Hexafluoride	1A1G	Oh
641	C8H8	cubane	1A1G	Oh
642	C6H5CHO	benzaldehyde	1A'	Cs
643	C2Cl6	hexachloroethane	1A1g	D3d
644	C6H4F2	1,4-difluorobenzene	1Ag	D2h
645	C3F6	hexafluoropropene
646	C8H18O	1-Octanol
647	C10H10	bullvalene
648	B12H12--	Dodecahydrododecaborate(2-)
649	C13H10	Fluorene

Species NOT done yet

count	Species	Name	file name	problem
1	D	Deuterium atom	d
2	D-	Deuterium atom anion	d-
3	D+	Deuterium atom cation	d+
4	H-	Hydrogen atom anion	h-
5	D2	Deuterium diatomic	d2
6	H2-	hydrogen diatomic anion	h2-
7	H2+	Hydrogen cation	h2+
8	HD	Deuterium hydride	hd
9	H3+	hydrogen trimer cation	h3+
10	He-	Helium atom anion	he-
11	HeH	Helium hydride	heh
12	Li-	Lithium atom anion	li-
13	Na-	Sodium atom anion	na-
14	K-	Potassium atom anion	k-
15	K+	Potassium atom cation	k+
16	Cu-	Copper atom anion	cu-
17	Cu+	Copper atom cation	cu+
18	LiH-	lithium hydride anion	lih-
19	LiH+	lithium hydride cation	lih+
20	NaH	sodium hydride	nah
21	NaH-	sodium hydride anion	nah-
22	NaH+	sodium hydride cation	nah+
23	KH+	Potassium hydrogen cation	kh+
24	CuH	Copper monohydride	cuh
25	Be-	Beryllium atom anion	be-
26	Mg-	Magnesium atom anion	mg-
27	Ca-	Calcium atom anion	ca-
28	Ca+	Calcium atom cation	ca+
29	Zn-	Zinc atom anion	zn-
30	Zn+	Zinc atom cation	zn+
31	BeH	beryllium monohydride	beh
32	BeH-	berylium monohydride anion	beh-
33	BeH+	beryllium monohydride cation	beh+
34	MgH-	magnesium monohydride anion	mgh-
35	MgH+	magnesium monohydride cation	mgh+
36	CaH	Calcium monohydride	cah
37	CaH+	Calcium monohydride cation	cah+
38	TiH	Titanium monohydride	tih
39	ZnH	Zinc monohydride	znh
40	BeH2	beryllium dihydride	beh2
41	MgH2	magnesium dihydride	mgh2
42	CaH2	Calcium Hydride	cah2
43	ZnH2	Zinc hydride	znh2
44	B-	Boron atom anion	b-
45	Sc	Scandium atom	sc
46	Sc+	Scandium cation	sc+
47	BH	Boron monohydride	bh
48	BH-	boron monohydride anion	bh-
49	BH+	boron monohydride cation	bh+
50	AlH	aluminum monohydride	alh
51	AlH-	aluminum monohydride anion	alh-
52	AlH+	aluminum monohydride cation	alh+
53	ScH	Scandium monohydride	sch
54	ScH+	Scandium monohydride cation	sch+
55	BH2	boron dihydride	bh2
56	BH2-	boron dihydride anion	bh2-
57	BH2+	Boron dihydride cation	bh2+
58	AlH2	aluminum dihydride	alh2
59	AlH2-	aluminum dihydride anion	alh2-
60	AlH2+	aluminum dihydride cation	alh2+
61	BH3	boron trihydride	bh3
62	BH3-	boron trihydride anion	bh3-
63	AlH3	aluminum trihydride	alh3
64	AlH3+	aluminum trihydride cation	alh3+
65	ScH3	Scandium trihydride	sch3
66	GaH3	Gallium trihydride	gah3
67	BH4	borohydride	bh4
68	AlH4-	Aluminum tetrahydride anion	alh4-
69	C-	Carbon atom anion	c-
70	Ti-	Titanium atom anion	ti-
71	Ti+	Titanium atom cation	ti+
72	Sn	Tin atom	sn
73	Sn+	Tin cation	sn+
74	CH-	methylidyne anion	ch-
75	CH+	Methylidyne cation	ch+
76	SiH-	silicon monohydride anion	sih-
77	SiH+	silicon monohydride cation	sih+
78	GeH+	Germaniun monohyrdide cation	geh+
79	CH2	Methylene	ch2
80	CH2+	methylene cation	ch2+
81	SiH2	silicon dihydride	sih2
82	SiH2-	silicon dihydride anion	sih2-
83	SiH2+	silicon dihydride cation	sih2+
84	GeH2-	germylene anion	geh2-
85	CH3-	methyl anion	ch3-
86	CH3+	methyl cation	ch3+
87	SiH3-	Silyl anion	sih3-
88	CD4	methane-d4	cd4
89	CH2D2	methane-d2	ch2d2
90	CH3D	methane-d	ch3d
91	CH4-	Methane anion	ch4-
92	CH4+	Methane cation	ch4+
93	CHD3	methane-d3	chd3
94	SiH4+	Silane cation	sih4+
95	SnH4	Stannane	snh4
96	N-	Nitrogen atom anion	n-
97	P-	Phosphorus atom anion	p-
98	P+	Phosphorus atom cation	p+
99	V	Vanadium atom	v
100	V+	Vanadium atom cation	v+
101	Sb	Antimony atom	sb
102	NH	Imidogen	nh
103	NH-	Imidogen anion	nh-
104	NH+	imidogen cation	nh+
105	PH-	phosphorus monohydride anion	ph-
106	PH+	phosphorus monohydride cation	ph+
107	AsH+	Arsenic monohydride cation	ash+
108	SbH	Antimony monohydride	sbh
109	ND2	Amidogen-d2	nd2
110	NH2-	amino anion	nh2-
111	PH2	Phosphino radical	ph2
112	PH2-	Phosphino anion	ph2-
113	PH2+	Phosphino cation	ph2+
114	AsH2	Arsenic dihydride	ash2
115	AsH2+	Arsenic dihydride cation	ash2+
116	ND3	Ammonia-d3	nd3
117	NH3-	Ammonia anion	nh3-
118	NH3+	ammonia cation	nh3+
119	SbH3	Stibine	sbh3
120	NH4+	ammonium cation	nh4+
121	PH4+	phosphonium cation	ph4+
122	O-	Oxygen atom anion	o-
123	S-	Sulfur atom anion	s-
124	S+	Sulfur atom cation	s+
125	Cr	Chromium atom	cr
126	Te	Tellurium atom	te
127	Te+	Tellurium atom cation	te+
128	DO	Hydroxyl-d	od
129	OH-	hydroxide anion	oh-
130	DS	Mercapto-d	ds
131	HS	Mercapto radical	hs
132	CrH+	Chromium hydride cation	crh+
133	TeH	Telluryl radical	teh
134	D2O	Deuterium oxide	d2o
135	D2S	Hydrogen sulfide-d2	d2s
136	H2S-	Hydrogen sulfide anion	h2s-
137	H2S+	Hydrogen sulfide cation	h2s+
138	H2Te	Hydrogen Telluride	h2te
139	H3O+	hydronium cation	h3o+
140	Mn	Manganese atom	mn
141	I	Iodine atom	iodine
142	I-	Iodine atom anion	iodine-
143	I+	Iodine atom cation	iodine+
144	DF	Hydrofluoric acid-d	df
145	DCl	Hydrochloric acid-d	dcl
146	HI	Hydrogen iodide	hi
147	HI+	Hydrogen iodide cation	hi+
148	H2F+	dihydrogen fluoride cation	h2f+
149	H2I+	Iodonium	h2i+
150	Ne-	Neon atom anion	ne-
151	Ar-	Argon atom anion	ar-
152	Ar+	Argon atom cation	ar+
153	Fe	Iron atom	fe
154	Xe	Xenon atom	xe
155	NeH	neon hydrogen	neh
156	NeH+	neon hydrogen cation	neh+
157	XeH+	Xenon, protonated	xeh+
158	H2Ar	H2 Ar dimer	h2ar
159	Co	Cobalt atom	cobalt
160	Ni	Nickel atom	ni
161	Li2	Lithium diatomic	li2
162	Li2-	lithium diatomic anion	li2-
163	Li2+	lithium diatomic cation	li2+
164	NaLi-	lithium sodium anion	lina-
165	NaLi+	lithium sodium cation	lina+
166	LiK	Lithium Potassium	lik
167	Na2+	sodium diatomic cation	na2+
168	NaK	Sodium Potassium	nak
169	NaK+	Sodium Potassium diatomic cation	nak+
170	K2	Potassium diatomic	k2
171	Cu2	Copper diatomic	cu2
172	LiBe	Lithium Beryllium	libe
173	LiMg	Lithium magnesium	limg
174	NaBe	Sodium Beryllium	nabe
175	NaMg	Sodium Magnesium	namg
176	Be2	Beryllium diatomic	be2
177	Be2-	Beryllium diatomic anion	be2-
178	Be2+	Beryllium diatomic cation	be2+
179	BeMg	Beryllium Magnesium	bemg
180	Mg2	Magnesium diatomic	mg2
181	Mg2-	magnesium diatomic anion	mg2-
182	Mg2+	magnesium diatomic cation	mg2+
183	Ca2	Calcium diatomic	ca2
184	LiB	Lithium boride	lib
185	NaAl	Sodium aluminum	naal
186	BeB	Beryllium monoboride	beb
187	B2	Boron diatomic	b2
188	B2-	Boron diatomic anion	b2-
189	B2+	Boron diatomic cation	b2+
190	BAl	Boron Aluminum	bal
191	Al2	Aluminum diatomic	al2
192	Al2-	aluminum diatomic anion	al2-
193	Al2+	aluminum diatomic cation	al2+
194	BGa	Boron Gallium	bga
195	AlGa	Aluminum Gallium	alga
196	Ga2	Gallium diatomic	ga2
197	LiBH4	Lithium borohydride	libh4
198	HBHHBH	Diborane(4) C2V	hbhhbh
199	Al2H6	dialane	al2h6
200	Ga2H6	digallane	ga2h6
201	LiC	Lithium Carbide	lic
202	BeC	Beryllium Carbide	bec
203	BC	boron monocarbide	bc
204	BC-	boron monocarbide anion	bc-
205	BC+	boron monocarbide cation	bc+
206	AlC	Aluminum carbide	alc
207	C2	Carbon diatomic	c2
208	C2-	carbon diatomic anion	c2-
209	C2+	carbon diatomic cation	c2+
210	SiC	silicon monocarbide	sic
211	SiC-	silicon monocarbide anion	sic-
212	SiC+	silicon monocarbide cation	sic+
213	Si2	Silicon diatomic	si2
214	Si2-	silcon diatomic anion	si2-
215	Si2+	silcon diatomic cation	si2+
216	Ge2	Germanium diatomic	ge2
217	C2H	Ethynyl radical	c2h
218	C2H+	Ethynyl cation	c2h+
219	ZnCH2	Zinc methylene	znch2
220	CCH2	vinylidene	vinylidene
221	CuCH3	monomethyl copper	cuch3
222	ZnCH3	Zinc monomethyl	znch3
223	CH2BH	methyleneborane	ch2bh
224	C2H3-	vinyl anion	c2h3-
225	C2H4-	Ethylene anion	c2h4-
226	C2H4+	Ethylene cation	c2h4+
227	CH3CH	methylmethylene	ch3ch
228	CH2SiH2	silaethylene	ch2sih2
229	CH3BH2	methylborane	ch3bh2
230	C2H5-	Ethyl anion	c2h5-
231	C2H5+	Ethyl cation	c2h5+
232	C2H6+	ethane cation	c2h6+
233	CH3SiH3	methyl silane	ch3sih3
234	GeH3CH3	methyl germane	geh3ch3
235	C2H7+	Ethane, protonated	c2h7+
236	LiN+	Lithium Nitride cation	lin+
237	BeN	Beryllium mononitride	ben
238	BeN-	Beryllium mononitride anion	ben-
239	BeN+	Beryllium mononitride cation	ben+
240	BN-	boron nitride anion	bn-
241	AlN-	aluminum mononitride anion	aln-
242	AlN+	aluminum mononitride cation	aln+
243	BP	Boron monophosphide	bp
244	AlP	Aluminum monophosphide	alp
245	GaN	Gallium mononitride	gan
246	GaP	Gallium monophosphide	gap
247	BN	boron nitride	bn
248	BN+	boron nitride cation	bn+
249	AlN	Aluminum nitride	aln
250	CN-	cyanide anion	cn-
251	CN+	Cyano cation	cn+
252	CP	Carbon monophosphide	cp
253	CP-	carbon monophosphide anion	cp-
254	CP+	carbon monophosphide cation	cp+
255	SiN	Silicon nitride	sin
256	SiN-	silicon mononitride anion	sin-
257	SiN+	silicon mononitride cation	sin+
258	SiP-	Silicon monophosphide anion	sip-
259	SiP+	Silicon monophosphide cation	sip+
260	TiN	Titanium mononitride	tin
261	N2-	nitrogen diatomic anion	n2-
262	N2+	diatomic nitrogen cation	n2+
263	PN-	phosphorus nitride anion	pn-
264	PN+	phosphorus nitride cation	pn+
265	P2	Phosphorus diatomic	p2
266	P2-	phosphorus diatomic anion	p2-
267	P2+	phosphorus diatomic cation	p2+
268	AsN	Arsenic mononitride	asn
269	AsP	Arsenic monophosphide	asp
270	SbN	Antimony nitride	sbn
271	As2	Arsenic diatomic	as2
272	HNB	hydrogen nitrogen boron	hnb
273	HNC	hydrogen isocyanide	hnc
274	HCN-	Hydrogen cyanide anion	hcn-
275	HCP	Phosphaethyne	hcp
276	NNH	Dinitrogen monohydride	nnh
277	HPO	Hydrogen phosphorus oxide	hpo
278	HPO+	Hydrogen phosphorus oxide cation	hpo+
279	CNH2	Aminomethylidyne radical	cnh2
280	CNH2+	N-protonated hydrogen isocyanide	cnh2+
281	H2CN	Dihydrogen cyanide radical	h2cn
282	H2CN+	hydrocyanonium cation	h2cn+
283	HCNH	methyleneazane	hcnh
284	HCNH+	N-protonated HCN	hcnh+
285	N2H2	(E)-diazene	n2h2
286	N2H2	(Z)-Diazene	n2h2z
287	N2H2+	trans-diazene cation	n2h2+
288	CH2PH	Phosphaethene	ch3p
289	CH2NH2+	methyleneamine cation	ch2nh2+
290	N2H4	Hydrazine	n2h4
291	N2H4+	hydrazine cation	n2h4+
292	P2H4	Diphosphine	p2h4
293	CH3NH2+	methyl amine cation	ch3nh2+
294	CH3PH2	Methyl phosphine	ch3ph2
295	N2H5+	protonated hydrazine	n2h5+
296	CH3NH3+	protonated methylamine	ch3nh3+
297	CH3PH3+	methyl phosphine, protonated	ch3ph3+
298	NH3NH3	Ammonia Dimer	nh3nh3
299	LiO	lithium oxide	lio
300	LiO-	lithium oxide anion	lio-
301	LiO+	lithium oxide cation	lio+
302	LiS	Lithium monosulfide	lis
303	LiS+	Lithium sulfide cation	lis+
304	NaO	sodium monoxide	nao
305	NaO-	sodium oxide anion	nao-
306	NaO+	sodium oxide cation	nao+
307	KO	Potassium monoxide	ko
308	KO+	Potassium monoxide cation	ko+
309	NaS	Sodium sulfide	nas
310	CuO	Copper Monoxide	cuo
311	BeO	beryllium oxide	beo
312	BeO-	Beryllium monoxide anion	beo-
313	BeO+	Beryllium monoxide cation	beo+
314	BeS	beryllium sulfide	bes
315	MgO	magnesium oxide	mgo
316	MgO-	magnesium oxide anion	mgo-
317	MgO+	magnesium oxide cation	mgo+
318	MgS	magnesium sulfide	mgs
319	MgS-	magnesium sulfide anion	mgs-
320	MgS+	magnesium sulfide cation	mgs+
321	ZnO	zinc monoxide	zno
322	ZnS	Zinc sulfide	zns
323	BeS-	Beryllium monosulfide anion	bes-
324	BeS+	Beryllium monosulfide cation	bes+
325	BO-	boron monoxide anion	bo-
326	AlO	Aluminum monoxide	alo
327	AlO-	Aluminum monoxide anion	alo-
328	AlO+	aluminum monoxide cation	alo+
329	BS	boron sulfide	bs
330	BS-	boron monosulfide anion	bs-
331	BS+	boron monosulfide cation	bs+
332	AlS	Aluminum sulfide	als
333	AlS-	aluminum monosulfide anion	als-
334	AlS+	aluminum monosulfide cation	als+
335	ScO	Scandium monoxide	sco
336	BO+	boron monoxide cation	bo+
337	CO-	carbon monoxide anion	co-
338	CS	carbon monosulfide	cs
339	CS-	carbon monosulfide anion	cs-
340	CS+	carbon monosulfide cation	cs+
341	SiO-	silicon monoxide anion	sio-
342	SiO+	silicon monoxide cation	sio+
343	SiS-	silicon monosulfide anion	sis-
344	SiS+	silicon monosulfide cation	sis+
345	TiO	Titanium monoxide	tio
346	CSe-	Carbon monoselenide anion	cse-
347	CSe+	Carbon monoselenide cation	cse+
348	GeO+	Germanium monoxide cation	geo+
349	GeS	Germanium monosulfide	ges
350	NS	Mononitrogen monosulfide	ns
351	NS-	nitrogen sulfide anion	ns-
352	NS+	nitrogen sulfide cation	ns+
353	PO	Phosphorus monoxide	po
354	PO-	phosphorus monoxide anion	po-
355	PO+	phosphorus monoxide cation	po+
356	PS-	phosphorus monosulfide anion	ps-
357	PS+	phosphorus monosulfide cation	ps+
358	VO	Vanadium monoxide	vo
359	AsO	Arsenic monoxide	aso
360	NSe	Nitrogen monoselenide	nse
361	AsS	Arsenic monosulfide	ass
362	PSe	Phosphorus monoselenide	pse
363	AsSe	Arsenic monoselenide	asse
364	O2-	oxygen diatomic anion	o2-
365	O2+	diatomic oxygen cation	o2+
366	SO-	sulfur monoxide anion	so-
367	S2-	sulfur diatomic anion	s2-
368	S2+	sulfur diatomic cation	s2+
369	SeO-	selenium monoxide anion	seo-
370	SeO+	selenium monoxide cation	seo+
371	SeS	Selenium monosulfide	ses
372	SeS-	selenium monosulfide anion	ses-
373	SeS+	selenium monosulfide cation	ses+
374	TeO	Tellurium monoxide	teo
375	Se2-	selenium diatomic anion	se2-
376	Se2+	selenium diatomic cation	se2+
377	Te2	Tellurium diatomic	te2
378	NaOH	sodium hydroxide	naoh
379	MgOH	magnesium hydroxide	mgoh
380	CaOH	Calcium monohydroxide	caoh
381	COH+	Carbon Monoxide, protonated	coh+
382	HCS	Thioformyl radical	hcs
383	HCS-	Thioformyl anion	hcs-
384	HCS+	Thioformyl cation	hcs+
385	HNO-	Nitrosyl hydride anion	hno-
386	NOH	Hydroxyimidogen	noh
387	NOH+	O-protonated nitric oxide	noh+
388	HNS	Sulfur imide	hns
389	HNS-	Sulfur imide anion	hns-
390	HO2	Hydroperoxy radical	ho2
391	HO2-	Hydroperoxy anion	ho2-
392	HO2+	Hydroperoxy cation	ho2+
393	HS2	Thiosulfeno radical	hs2
394	HOCH	hydroxycarbene	hoch
395	H2CS+	thioformaldehyde cation	h2cs+
396	H2NO	nitroxide	h2no
397	H2O2+	Hydrogen peroxide cation	h2o2+
398	H2S2	Disulfane	h2s2
399	H2S2+	hydrogen disulfide cation	h2s2+
400	CH2OH	Hydroxymethyl radical	ch2oh
401	CH2OH+	hydroxymethyl cation	ch2oh+
402	CH3O	Methoxy radical	ch3o
403	CH3O-	methoxy anion	ch3o-
404	CH3O+	Methoxy cation	ch3o+
405	CH3S	thiomethoxy	ch3s
406	H2CSH+	Thioformaldehyde, protonated	h2csh+
407	NH3O	Ammonia Oxide	nh3o
408	H2POH	Phosphinous acid	h2poh
409	H3PO	Phosphine oxide	h3po
410	H3O2+	hydrogen peroxide, protonated	h3o2+
411	CH3OH-	Methyl alcohol anion	ch3oh-
412	CH3SH+	Methanethiol cation	ch3sh+
413	CH3SeH	Methane selenol	ch3seh
414	H2OH2O	water dimer	h2oh2o
415	CH3OH2+	Methanol, protonated	ch3oh2+
416	CH3SH2+	protonated methylsulfide	ch3sh2+
417	H2ONH3	Water Ammonia Dimer	h2onh3
418	LiCl-	lithium chloride anion	licl-
419	LiCl+	lithium chloride cation	licl+
420	NaF	sodium fluoride	naf
421	NaF-	sodium fluoride anion	naf-
422	KF	Potassium Fluoride	kf
423	NaCl	Sodium Chloride	nacl
424	NaCl-	sodium chloride anion	nacl-
425	NaCl+	sodium chloride cation	nacl+
426	KCl	Potassium Chloride	kcl
427	CuF	Copper monofluoride	cuf
428	LiBr-	lithium bromide anion	libr-
429	LiBr+	lithium bromide cation	libr+
430	CuCl	Copper monochloride	cucl
431	NaBr	Sodium Bromide	nabr
432	NaBr-	sodium bromide anion	nabr-
433	NaBr+	sodium bromide cation	nabr+
434	KBr	Potassium Bromide	kbr
435	LiI	Lithium Iodide	lii
436	NaI	Sodium Iodide	nai
437	KI	Potassium Iodide	ki
438	LiF-	lithium fluoride anion	lif-
439	BeF	Beryllium monofluoride	bef
440	BeF-	Beryllium monofluoride anion	bef-
441	BeF+	Beryllium monofluoride cation	bef+
442	BeCl	beryllium monochloride	becl
443	MgF	Magnesium monofluoride	mgf
444	MgF-	magnesium fluoride anion	mgf-
445	MgF+	magnesium fluoride cation	mgf+
446	CaF	Calcium monofluoride	caf
447	MgCl	magnesium monochloride	mgcl
448	MgCl-	magnesium monochloride anion	mgcl-
449	MgCl+	magnesium monochloride cation	mgcl+
450	CaCl	calcium monochloride	cacl
451	TiCl	Titanium Monochloride	ticl
452	ZnF	Zinc monofluoride	znf
453	ZnF-	Zinc monofluoride anion	znf-
454	ZnF+	Zinc monofluoride cation	znf+
455	ZnCl	Zinc monochloride	zncl
456	BeCl-	beryllium monochloride anion	becl-
457	BeCl+	beryllium monochloride cation	becl+
458	BF-	Boron monofluoride anion	bf-
459	BF+	Boron monofluoride cation	bf+
460	AlF-	Aluminum monofluoride anion	alf-
461	AlF+	Aluminum monofluoride cation	alf+
462	BCl	boron monochloride	bcl
463	BCl-	boron monochloride anion	bcl-
464	BCl+	boron monochloride cation	bcl+
465	AlCl	Aluminum monochloride	alcl
466	AlCl-	aluminum monochloride anion	alcl-
467	AlCl+	aluminum monochloride cation	alcl+
468	ScF	Scandium monofluoride	scf
469	BBr	Boron monobromide	bbr
470	GaF+	Gallium monofluoride cation	gaf+
471	GaCl+	Gallium monochloride cation	gacl+
472	AlI	Aluminum monoiodide	ali
473	CF-	carbon monofluoride anion	cf-
474	CF+	carbon monofluoride cation	cf+
475	CCl	carbon monochloride	ccl
476	CCl-	carbon monochloride anion	ccl-
477	CCl+	carbon monochloride cation	ccl+
478	SiF	silicon monofluoride	sif
479	SiF-	silicon monofluoride anion	sif-
480	SiF+	silicon monofluoride cation	sif+
481	SiCl-	silicon monochloride anion	sicl-
482	SiCl+	silicon monochloride cation	sicl+
483	GeF+	Germanium monofluoride cation	gef+
484	NF	nitrogen fluoride	nf
485	NF-	nitrogen monofluorine anion	nf-
486	NF+	nitrogen monofluoirde cation	nf+
487	NCl-	nitrogen monochloride anion	ncl-
488	NCl+	nitrogen monochloride cation	ncl+
489	PF	phosphorus monofluoride	pf
490	PF-	phosphorus monofluoride anion	pf-
491	PF+	phosphorus monofluoride cation	pf+
492	PCl	phosphorus chloride	pcl
493	PCl-	phosphorus monochloride anion	pcl-
494	PCl+	phosphorus monochloride cation	pcl+
495	AsF	Arsenic monofluoride	asf
496	NBr	nitrogen monobromide	nbr
497	AsCl	Arsenic monochloride	ascl
498	SbF	Antimony monofluoride	sbf
499	SbCl	Antimony monochloride	sbcl
500	FO	Oxygen monofluoride	fo
501	FO-	flourine oxide anion	fo-
502	FO+	fluorine monoxide cation	fo+
503	ClO-	chlorine monoxide anion	clo-
504	SF-	sulfur monofluoride anion	sf-
505	SCl	sulfur monochloride	scl
506	SCl-	sulfur monochloride anion	scl-
507	BrO-	Bromine monoxide anion	bro-
508	SeF	Selenium monofluoride	sef
509	SeCl	Selenium monochloride	secl
510	IO	Iodine monoxide	io
511	F2-	flourine diatomic anion	f2-
512	ClF-	clorine monofluoride anion	clf-
513	Cl2-	chlorine diatomic anion	cl2-
514	BrF-	bromine fluoride anion	brf-
515	BrF+	bromine fluoride cation	brf+
516	BrCl-	bromine chloride anion	brcl-
517	BrCl+	bromine chloride cation	brcl+
518	IF	Iodine monofluoride	if
519	ICl	Iodine monochloride	icl
520	IBr	Iodine monobromide	ibr
521	I2	Iodine diatomic	i2
522	I2+	Iodine diatomic cation	i2+
523	HCCl	Chloromethylene	hccl
524	CHBr	bromomethylene	chbr
525	DOCl	Hypochlorous acid-d	docl
526	HOBr	Hypobromous acid	hobr
527	HOBr+	Hypobromous acid cation	hobr+
528	HOI	Hypoiodous acid	hoi
529	FHF	Hydrogen difluoride	fhf
530	FHF-	Hydrogen difluoride anion	fhf-
531	NH2F	monofluoroamine	nh2f
532	H2F2	Hydrogen fluoride dimer	h2f2
533	CD3F	methylfluoride-d3	cd3f
534	CD3Cl	methyl chloride d3	cd3cl
535	SiH3Br	bromosilane	sih3br
536	CH3I	methyl iodide	ch3i
537	SiH3I	Silyl Iodide	sih3i
538	Ne2	Neon diatomic	ne2
539	Ne2+	Neon diatomic cation	ne2+
540	Ar2+	Argon diatomic cation	ar2+
541	Li3	Lithium trimer	li3
542	Li3+	Lithium trimer cation	li3+
543	C3+	carbon trimer cation	c3+
544	C3H3	cyclopropenyl radical	cpr
545	C3H3	Propargyl radical	propargyl
546	C3H3-	Propargyl anion	c3h3-
547	C3H3+	cyclopropenyl cation	cpr+
548	C3H3+	Propargyl cation	c3h3+
549	C3H5+	Allyl cation	allyl+
550	CH3CHCH	1-propenyl radical	ch3chch
551	Zn(CH3)2	dimethyl zinc	dmz
552	C3H7+	cyclopropane, protonated	c3h7+
553	CH3CHCH3+	Isopropyl cation	prop2yl+
554	SiH2(CH3)2	dimethylsilane	dms
555	LiCN	lithium cyanide	licn
556	NaCN	Sodium Cyanide	nacn
557	KCN	Potassium cyanide	kcn
558	CuCN	Copper cyanide	cucn
559	CN2	3H-Diazirin-3-ylidene	cn2
560	NCN	Cyanoimidogen	ncn
561	N3	azide radical	n3
562	N3-	azide anion	n3-
563	N3+	azide cation	n3+
564	HCCN	cyanomethylene	hccn
565	HCNN	diazomethyl radical	hcnn
566	CH2N2	diazirine	ch2n2
567	CH2NN	diazomethane	ch2nn
568	NH2CN	cyanamide	cyanamide
569	CH3CN+	Acetonitrile cation	ch3cn+
570	CH3NC	methyl isocyanide	ch3nc
571	HNCNH2+	diiminomethane, protonated	hncnh2+
572	NCNH3+	Cyanamide, protonated	ncnh3+
573	CH2CHNH	vinylazine	ch2chnh
574	CH3CHN	methylmethaniminyl radical	ch3chn
575	NHCHNH2	aminomethanimine	cn2h4
576	C2H5N	Aziridine	c2h5n
577	CH2CHNH2	aminoethene	aminoethene
578	CH2NCH3	N-methylmethanimine	nmm
579	CH3CHNH	ethanimine	ethanimine
580	NH2BHNH2	diaminoborane	nh2bhnh2
581	C2H5NH+	Protonated Aziridine	c2h5nh+
582	NH2CH2NH2	diaminomethane	nh2ch2nh2
583	CH3NHCH3	Dimethylamine	ch3nhch3
584	CH3PHCH3	dimethylphosphine	ch3phch3
585	NH2CH2NH3+	diaminoethane, protonated	pdam
586	(CH3)2NH2+	dimethylammonium cation	dmam
587	CH3CH2NH3+	ethylamine, protonated	pea
588	Li2O	dilithium oxide	li2o
589	Li2O+	dilithium oxide cation	li2o+
590	Li2S	dilithium sulfide	li2s
591	Na2O	disodium monoxide	na2o
592	CCO	Dicarbon monoxide	cco
593	CNO-	fulminate	cno-
594	NCO-	cyanate	nco-
595	SCN	thiocyanato radical	scn
596	SCN-	thiocyanide anion	scn-
597	BO2	Boron dioxide	bo2
598	BO2-	Boron dioxide anion	bo2-
599	BO2+	Boron dioxide cation	bo2+
600	N2O-	Nitrous oxide anion	n2o-
601	N2O+	Nitrous oxide cation	n2o+
602	NNS	Nitrogen sulfide	nns
603	PPO	Phosphorus oxide phosphide	ppo
604	CO2-	Carbon dioxide anion	co2-
605	CO2+	Carbon dioxide cation	co2+
606	OCS+	Carbonyl sulfide cation	cos+
607	SiO2	silicon dioxide	sio2
608	CS2-	Carbon disulfide anion	cs2-
609	CS2+	Carbon disulfide cation	cs2+
610	TiO2	Titanium dioxide	tio2
611	SiS2	Silicon disulfide	sis2
612	GeS2	Germanium disulfide	ges2
613	CSe2	Carbon diselenide	cse2
614	SCTe	Carbon sulfide Telluride	scte
615	NO2-	Nitrogen dioxide anion	no2-
616	NO2+	Nitrogen dioxide cation	no2+
617	PO2	Phosphorus dioxide	po2
618	PO2-	Phosphorus dioxide anion	po2-
619	PO2+	Phosphorus dioxide cation	po2+
620	AsO2	Aresenic dioxide	aso2
621	O3	Ozone	o3
622	O3-	Ozone anion	o3-
623	O3+	Ozone cation	o3+
624	SO2-	Sulfur dioxide anion	so2-
625	SO2+	Sulfur dioxide cation	so2+
626	S3-	Sulfur trimer anion	s3-
627	S3+	Sulfur trimer cation	s3+
628	SeO2+	Selenium dioxide cation	seo2+
629	TeO2	Tellurium Dioxide	teo2
630	CS2H+	Carbon disulfide, protonated	cs2h+
631	HNCO	Isocyanic acid	hnco
632	HOCN	cyanic acid	hocn
633	HCO2-	formate anion	hco2-
634	HNNO	nitrosoazane	hnno
635	HNNO+	Nitrous oxide, N-protonated	hnno+
636	NNOH+	Nitrous Oxide, O-protonated	nnoh+
637	HCOO	formate neutral radical	hcoo
638	HOCO+	Hydrocarboxyl cation	hoco+
639	HNO2	Nitrous acid	hno2
640	HNO2+	nitrous acid cation	hno2+
641	SO2H+	protonated sulfur dioxide	so2h+
642	CH2CO+	Ketene cation	ch2co+
643	HCCOH	ethynol	hccoh
644	Mg(OH)2	Magnesium dihydroxide	h2mgo2
645	NH2NO	Nitrosamide	nh2no
646	CH2O2	Dioxirane	diox
647	H2COO	Dioxymethyl radical	h2coo
648	H2COO+	dioxymethyl cation	h2coo+
649	H2O3	Hydrogen trioxide	h2o3
650	HSSSH	trisulfane	hsssh
651	NaOCH3	Sodium methoxide	naoch3
652	CH2BOH	hydroxy(methylene)borane	ch2boh
653	CH3BO	Borane, methyloxo-	ch3bo
654	CH2CHO	Vinyloxy radical	ch2cho
655	CH3CO	Acetyl radical	ch3co
656	CH3CO-	Acetyl anion	ch3co-
657	CH3CO+	acetyl cation	ch3co+
658	CH2NOH	formaldoxime	ch2noh
659	CH3NO	nitrosomethane	ch3no
660	CHONH2	formamide	formamide
661	CNOH3	1,2-oxaziridine	cnoh3
662	CH2OOH	CH2OOH radical	ch2ooh
663	CH3OO	methylperoxy radical	ch3oo
664	CH3OO-	methylperoxy anion	ch3oo-
665	CH3OO+	methylperoxy cation	ch3oo+
666	CH2CHOH	ethenol	ch2choh
667	H2CONH2+	protonated formamide	h2conh2+
668	NH3CHO+	Formamide, N-Protonated	nh3cho+
669	CH2(OH)2	methanediol	ch2o2h2
670	CH3OOH	Methyl peroxide	ch3ooh
671	H2OH2CO	water formaldehyde dimer	h2oh2co
672	CH2CH2OH	2-hydroxy ethyl radical	ch2ch2oh
673	CH3CH2O	Ethoxy radical	ethoxy
674	CH3CHOH	1-hydroxy-ethyl radical	ch3choh
675	CH3CHOH+	acetaldehyde, protonated	ch3choh+
676	CH3OCH2	methoxymethyl radical	ch3och2
677	CH3SeCH3	dimethylselenide	dmse
678	CH3OHH2O	methanol water dimer	ch3ohh2o
679	H2OCH3OH	water methanol dimer	h2och3oh
680	CuF2	Copper difluoride	cuf2
681	ZnF2	Zinc difluoride	znf2
682	CNF	iso cyanogen fluoride	cnf
683	FCN	Cyanogen fluoride	fcn
684	ClCN	chlorocyanogen	clcn
685	ICN	Cyanogen iodide	icn
686	BeF2	Beryllium fluoride	bef2
687	MgF2	Magnesium fluoride	mgf2
688	BeCl2	Beryllium chloride	becl2
689	MgCl2	Magnesium dichloride	mgcl2
690	CaCl2	Calcium Chloride	cacl2
691	ZnCl2	Zinc dichloride	zncl2
692	CaF2	Calcium difluoride	caf2
693	FCO	Carbonyl fluoride	fco
694	FCO+	Carbonyl fluoride cation	fco+
695	ClCO	carbonyl monochloride	clco
696	FNS	Thionitrosyl fluoride	fns
697	BrNO	Nitrosyl bromide	brno
698	INO	Nitrosyl iodide	ino
699	CF2-	Difluoromethylene anion	cf2-
700	CF2+	Difluoromethylene cation	cf2+
701	CFCl	chlorofluoromethylene	cfcl
702	SiF2+	Silicon difluoride cation	sif2+
703	CCl2	dichloromethylene	ccl2
704	CCl2-	dichloromethylene anion	ccl2-
705	CCl2+	dichloromethylene cation	ccl2+
706	SiCl2	Dichlorosilylene	sicl2
707	GeF2	Germanium difluoride	gef2
708	CBr2	dibromomethylene	cbr2
709	FOO	Dioxygen monofluoride radical	foo
710	ClOO	chloroperoxy radical	cloo
711	ClOO+	chloroperoxy cation	cloo+
712	OClO+	Chlorine dioxide cation	oclo+
713	ClSO	Sulfur chloride oxide	clso
714	ClS2	Sulfur chloride	cls2
715	NF2	Difluoroamino radical	nf2
716	NF2+	Difluoroamino cation	nf2+
717	FClO	chlorosyl fluoride	fclo
718	F2O	Difluorine monoxide	f2o
719	ClOF	Chlorine hypofluorite	clof
720	SF2-	sulfur difluoride anion	sf2-
721	SF2+	sulfur difluoride cation	sf2+
722	Cl2O	Dichlorine monoxide	cl2o
723	SCl2	Sulfur dichloride	scl2
724	BrOCl	Bromine hypochlorite	brocl
725	BrOBr	Bromine oxide	brobr
726	F3-	trifluoride anion	f3-
727	Cl3-	trichloride anion	cl3-
728	I3-	triiodide	i3-
729	HCCF+	fluoroacetylene cation	hccf+
730	HCCCl	Chloroacetylene	hcccl
731	HCCBr	bromoacetylene	hccbr
732	HFCO	formyl fluoride	hfco
733	HFCO+	formyl fluoride cation	hfco+
734	COHCl	Formyl chloride	cohcl
735	COHBr	Formyl bromide	cohbr
736	BHF2	Difluoroborane	bhf2
737	BHCl2	Borane, dichloro-	bhcl2
738	CHCl2	dichloromethyl radical	chcl2
739	HOClO	Chlorous acid	hoclo
740	CH2FCl	fluorochloromethane	ch2fcl
741	CH2BrF	Methane, bromofluoro-	ch2fbr
742	CH2FI	fluoroiodomethane	ch2fi
743	CH2ClI	chloroiodomethane	ch2cli
744	CH2BrI	bromoiodomethane	ch2bri
745	CH2I2	Diiodomethane	ch2i2
746	SiH2Cl2	dichlorosilane	sih2cl2
747	CH2CHF+	fluoroethene cation	ch2chf+
748	C2H3Cl	Ethene, chloro-	ch2chcl
749	C2H3Br	vinyl bromide	c2h3br
750	C2H3I	Vinyl iodide	c2h3i
751	CH3OCl	methyl hypochlorite	ch3ocl
752	CH2CH2Cl	2-chloroethyl radical	ch2ch2cl
753	CHClCH3	1-chloroethyl radical	chclch3
754	C2H5F	fluoroethane	c2h5f
755	CH3CH2Cl	Ethyl chloride	c2h5cl
756	CH3SiFH2	fluoromethylsilane	ch3sifh2
757	C2H5I	Ethyl iodide	c2h5i
758	KrF2	Krypton difluoride	krf2
759	XeF2	Xenon difluoride	xef2
760	B4H10	Tetraborane(10)	b4h10
761	C4+	Carbon tetramer cation	c4+
762	C4H2	Diacetylene	c4h2
763	C2H3CCH	1-Buten-3-yne	c2h3cch
764	C4H4	cyclobutadiene	cbd
765	H2CCCCH2	Butatriene	h2cccch2
766	C4H6	Cyclobutene	c822355
767	C4H6	Methylenecyclopropane	c6142730
768	CH2CCHCH3	1,2-Butadiene	butad12
769	CH2CHCHCH2	1,3-Butadiene	c106990
770	CH3CCCH3	2-Butyne	c503173
771	CHCCH2CH3	1-Butyne	c107006
772	CH3CHCHCH2	methylallyl radical	c4h7
773	C4H8	methylcyclopropane	mcp
774	CH2C(CH3)CH3	1-Propene, 2-methyl-	isobute
775	CH3CHCHCH3	2-Butene, (E)-	bute2e
776	CH3CHCHCH3	2-Butene, (Z)-	bute2z
777	B(CH3)3	trimethylborane	bme3
778	Al(CH3)3	trimethyl aluminum	tma
779	C(CH3)3	Tert-butyl radical	tbutyl
780	CH2CH(CH3)2	Isobutyl radical	isobutyl
781	CH3CHCH2CH3	2-Butyl radical	butyl2
782	CH3CH(CH3)CH3	Isobutane	isobutane
783	SiH(CH3)3	trimethylsilane	trimsi
784	Li3N	trilithium nitride	li3n
785	C2N2	Cyanogen	c2n2
786	C2N2+	Cyanogen cation	c2n2+
787	P4	Phosphorus tetramer	p4
788	HCCCN	Cyanoacetylene	hcccn
789	HCCCN+	Cyanoacetylene cation	hcccn+
790	C3H3N	acrylonitrile	ch2chcn
791	C3H3N+	acrylonitrile cation	ch2chcn+
792	CH3N3	methyl azide	ch3n3
793	NH2CCNH2	Diaminoacetylene	daa
794	NH2CH2CN	Aminoacetonitrile	aan
795	CH3NHN2+	methyl azide, protonated	ch3nhn2+
796	CH5N3	Guanidine	guanidine
797	C4H6	Bicyclo[1.1.0]butane	c157335
798	CH3NNCH3	(Z)-1,2-Dimethyldiazene	dmdiazz
799	CH6N3+	guanidinium	ch6n3+
800	C3H7N	Cyclopropylamine	cpram
801	CH7N3	triaminomethane	tam
802	C3H7N	Azetidine	azet
803	C4H8	cyclobutane	cbutane
804	C2H8N2	Ethylenediamine	ethdiam
805	CH3NHNHCH3	dimethyl hydrazine	dmh
806	CH3CH(NH2)CH3	2-Propanamine	pram2
807	N(CH3)3	Trimethylamine	trimeam
808	NH2CH2CH2CH3	1-Propanamine	pram1
809	P(CH3)3	trimethylphosphine	tmp
810	As(CH3)3	trimethyl arsine	tmas
811	(CH3)3NH+	protonated trimethyl amine	ptma
812	C3H7NH3+	n-propylamine, protonated	c3h7nh2
813	Li2O2	dilithium dioxide	li2o2
814	Na2O2	disodium dioxide	na2o2
815	C3O	Tricarbon monoxide	c3o
816	B2O2	Diboron dioxide	b2o2
817	S2N2	Disulfur dinitride	s2n2
818	CO3	Carbon trioxide	co3
819	CO3--	carbonate	co3--
820	NO3	Nitrogen trioxide	no3
821	NO3-	nitrate anion	no3-
822	NO3+	nitrogen trioxide cation	no3+
823	SO3-	Sulfur trioxide anion	so3-
824	SO3+	Sulfur trioxide cation	so3+
825	SeO3	selenium trioxide	seo3
826	TeO3	Tellurium trioxide	teo3
827	HCO3-	bicarbonate anion	hco3-
828	HSO3	Hydroxysulfonyl radical	hso3
829	NH2NO2	nitramide	nh2no2
830	C2H2CO	cyclopropenone	c2h2co
831	HCCCHO	2-propynal	hcccho
832	C2H2O2+	Ethanedial cation	c2h2o2+
833	H2CO3	Carbonic acid	h2co3
834	H2CS3	thiocarbonic acid	h2cs3
835	H2NO3+	Nitric Acid, Protonated	h2no3+
836	H2SO3	Sulfurous acid	h2so3
837	CH3COO-	acetate anion	ch3coo-
838	CH3ONO	Methyl nitrite	ch3ono
839	NH2COOH	Carbamic acid	nh2cooh
840	H3BO3	Boric acid	h3bo3
841	H3CO3+	carbonic acid, protonated	h3co3+
842	C3H4O	2-Propyn-1-ol	c107197
843	C3H4O	allenol	c9000071
844	C3H4O	Cyclopropanone	cpone
845	C3H4O	Methylketene	c6004440
846	NH2CONH2	Urea	urea
847	NH2CONH2+	Urea cation	urea+
848	NH2CSNH2	Thiourea	thiourea
849	C2H4O2	1,3-dioxetane	c2h4o2
850	CH3COOH	Acetic acid	ch3cooh
851	CH3OCHO	methyl formate	ch3ocho
852	CHOCH2OH	hydroxy acetaldehyde	haa
853	NH2COOH2+	Carbamic acid, O-protonated	nh2cooh2+
854	NH3COOH+	protonated Carbamic acid	nh3cooh+
855	H2OHCOOH	Water formic acid dimer 1	h2ohcooh_10
856	H2OHCOOH	Water formic acid dimer 2	h2ohcooh_11
857	HCOOHH2O	Formic acid water dimer	hcoohh2o
858	HOCH2OOH	hydroxy methyl peroxide	hoch2ooh
859	CH3COCH2	Acetonyl radical	ch3coch2
860	CH3CHNOH	Acetaldoxime	acetaldoxime
861	CH3CONH2	Acetamide	acetamide
862	HCONHCH3	N-methylformamide	nmfa
863	CH5N2O+	urea, N-protonated	ch4n2o+
864	H2NCOHNH2+	urea, protonated	ureah+
865	C2H5OO	ethylperoxy radical	c2h5oo
866	CH3NNCH3	(E)-1,2-Dimethyldiazene	dmdiaze
867	C3H5OH	Cyclopropanol	cproh
868	C3H6O	2-Propen-1-ol	c107186
869	C3H6O	Acetone enol	enol
870	C3H6O	Oxetane	oxetane
871	C3H6O	Propylene oxide	prox
872	CH3COCH3-	acetone anion	ch3coch3-
873	C3H6S	Thietane	thietane
874	C3H6S	Thiirane, methyl-	methiirane
875	CH3CSCH3	Thioacetone	ch3csch3
876	C2H6O2	1,2-Ethanediol	ethdiol
877	CH3OOCH3	dimethylperoxide	dmp
878	CH2SHCH2SH	1,2-Ethanedithiol	ethdisl
879	CH3SSCH3	Disulfide, dimethyl	ch3ssch3
880	CH3COHCH3+	acetone, protonated	acetoneh+
881	HOCH2CH2NH2	monoethanolamine	mea
882	CH3CHOHCH3	Isopropyl alcohol	isoproh
883	CH3OC2H5	Ethane, methoxy-	etome
884	C3H7SH	1-Propanethiol	prsh
885	CH3CHSHCH3	2-Propanethiol	isoprsh
886	CH3SCH2CH3	Ethane, (methylthio)-	etsme
887	H2OCH3OCH3	water dimethylether dimer	h2och3och3
888	Na2F2	Sodium Fluoride Dimer	na2f2
889	Na2Cl2	Disodium dichloride	na2cl2
890	C2F2	difluoroacetylene	c2f2
891	C2Cl2	dichloroacetylene	c2cl2
892	C2Cl2+	dichloroacetylene cation	c2cl2+
893	FNO2	Nitryl fluoride	fno2
894	FONO	Nitrosyl hypofluorite	fono
895	ClNO2	Nitryl chloride	clno2
896	ClONO	chlorine nitrite	clono
897	BrONO	Bromine nitrite	brono
898	N2F2	(Z)-Difluorodiazene	n2f2_z
899	N2F2	Dinitrogen difluoride, (E)-	n2f2_e
900	COFCl	Carbonic chloride fluoride	cofcl
901	CCl2O	Phosgene	cl2co
902	Cl2CS	Thiophosgene	cl2cs
903	COBr2	Carbonic dibromide	cobr2
904	BF3-	Borane, trifluoro- anion	bf3-
905	AlF2Cl	Aluminum chloride difluoride	alclf2
906	ScF3	Scandium trifluoride	ScF3
907	AlFCl2	Aluminum dichloride fluoride	alcl2f
908	AlCl3	Aluminum trichloride	alcl3
909	BBr3	Boron tribromide	bbr3
910	AlBr3	Aluminum Bromide	albr3
911	ClO3	Chlorine trioxide	clo3
912	ClO3-	chlorate anion	clo3-
913	BrO3-	Bromate anion	bro3-
914	CF3	Trifluoromethyl radical	cf3
915	CF3-	Trifluoromethyl anion	cf3-
916	CF3+	Trifluoromethyl cation	cf3+
917	SiF3	Silicon trifluoride radical	sif3
918	SiF3+	Silicon trifluoride cation	sif3+
919	CCl3	Trichloromethyl radical	ccl3
920	CCl3-	Trichloromethyl anion	ccl3-
921	CCl3+	Trichloromethyl cation	ccl3+
922	SiCl3	trichlorosilyl radical	sicl3
923	SiCl3+	trichlorosilyl cation	sicl3+
924	FOOF	Perfluoroperoxide	foof
925	ClO2F	Chloryl fluoride	clo2f
926	F2SO	Thionyl Fluoride	f2so
927	ClOOCl	Dichlorine dioxide	cloocl
928	FSSF	Difluorodisulfane	fssf
929	S2F2	Thio-thionyl fluoride	s2f2
930	SOCl2	thionyl chloride	socl2
931	SeOCl2	selenium oxychloride	seocl2
932	NF3-	Nitrogen trifluoride anion	nf3-
933	NF3+	Nitrogen trifluoride cation	nf3+
934	PF3	Phosphorus trifluoride	pf3
935	AsF3	Arsenic trifluoride	asf3
936	PCl3	Phosphorus trichloride	pcl3
937	SbF3	Antimony Trifluoride	sbf3
938	AsCl3	Arsenous trichloride	ascl3
939	SbCl3	Antimony Trichloride	sbcl3
940	PBr3	Phosphorus tribromide	pbr3
941	AsBr3	Arsenic tribromide	asbr3
942	NI3	Nitrogen triiodide	ni3
943	PI3	Phosphorus triiodide	pi3
944	ClSSCl	Disulfur dichloride	s2cl2
945	SF3	Sulfur trifluoride	sf3
946	ClF3	Chlorine trifluoride	clf3
947	BrF3	Bromine trifluoride	brf3
948	IF3	iodone trifluoride	if3
949	CHF2Cl	difluorochloromethane	chf2cl
950	CHFCl2	fluorodichloromethane	chfcl2
951	CDCl3	trichloromethane-d	cdcl3
952	SiHCl3	Trichlorosilane	sihcl3
953	CHF2I	difluoroiodomethane	chf2i
954	CHFClI	fluorochloroiodomethane	chfcli
955	CHCl2I	dichloroiodomethane	chcl2i
956	CHClBr2	Methane, dibromochloro-	chclbr2
957	CHBr3	bromoform	chbr3
958	CHI3	Iodoform	chi3
959	NF3H+	protonated nitrogen trifluoride	nf3h+
960	C2H2F2	Ethene, 1,2-difluoro-, (E)-	c2h2f2e
961	C2H2F2	Ethene, 1,2-difluoro-, (Z)-	c2h2f2z
962	CH2CF2	Ethene, 1,1-difluoro-	ch2cf2
963	C2H2ClF	1-chloro-1-fluoroethylene	c2h2clf
964	CHFCHCl	(E)-1-chloro-2-fluoroethene	chfchcle
965	CHFCHClz	(Z)-1-Chloro-2-fluoroethene	chfchclz
966	CH2CCl2	Ethene, 1,1-dichloro-	ch2ccl2
967	CHClCHCl	Ethene, 1,2-dichloro-, (E)-	chclchcle
968	CHClCHCl	Ethene, 1,2-dichloro-, (Z)-	chclchclz
969	C2H2Br2	1,1-dibromoethene	c2h2br2
970	CH2FCHO	Fluoroacetaldehyde	ch2fcho
971	CH3COF	Acetyl fluoride	ch3cof
972	CH2ClCHO	chloroacetaldehyde	ch2clcho
973	CH3COCl	Acetyl Chloride	ch3cocl
974	CH2FCH2Cl	Ethane, 1-chloro-2-fluoro-	ch2fch2cl
975	CH3CHFCl	Ethane, 1-chloro-1-fluoro-	ch3chfcl
976	CH2ClCH2Cl	Ethane, 1,2-dichloro-	ch2clch2cl
977	CH3CHCl2	Ethane, 1,1-dichloro-	ch3chcl2
978	CH2CFCH3	2-fluoropropene	2fpro
979	C3H5Cl	1-Propene, 3-chloro-	prop1cl3
980	C3H5Cl	1-chloro-1-propene(E)	prop1cl1e
981	C3H5Cl	1-chloro-1-propene(Z)	prop1cl1z
982	CH2ClCH2OH	2-Chloroethanol	ch2clch2oh
983	CH2ClCH2OH2+	2-chloroethanol, protonated	ch2clch2oh2+
984	CH2ClCH2CH3	Propane, 1-chloro-	prcl1
985	CH3CH2CH2Br	n-propyl bromide	prbr
986	CH3CHBrCH3	i-propyl bromide	iprbr
987	C3H9O+	trimethyl oxonium cation	c3h9o+
988	C5H5	cyclopentadienyl radical	c5h5
989	C5H5-	cylopentadienyl anion	c5h5-
990	C5H6	1,3-Cyclopentadiene	c542927
991	C5H6	1-Buten-3-yne, 2-methyl-	c78808
992	C5H6	3-Penten-1-yne, (E)-	c2004695
993	C5H6	3-Penten-1-yne, (Z)-	c1574409
994	C5H6	Bicyclo[2.1.0]pent-2-ene	c5164352
995	C5H6	Cyclopropylacetylene	c6746947
996	C5H6	Propellane	propellane
997	C5H7	1,3-pentadienyl radical	pdyl
998	C5H7	cyclopentenyl radical	cpyl
999	C5H8	1,2-Butadiene, 3-methyl-	c598254
1000	C5H8	1,2-Pentadiene	c591957
1001	C5H8	1,3-Butadiene, 2-methyl-	c78795
1002	C5H8	1,3-Pentadiene, (E)-	c2004708
1003	C5H8	1,3-Pentadiene, (Z)-	c1574410
1004	C5H8	1,4-Pentadiene	c591935
1005	C5H8	1-pentyne	a1pentyne
1006	C5H8	2,3-Pentadiene	c591968
1007	C5H8	Cyclobutane, methylene-	c1120565
1008	C5H8	Cyclopentene	c142290
1009	C5H8	Ethenylcyclopropane	c693867
1010	CH3CCCH2CH3	2-Pentyne	2pentyne
1011	C5H10	1-Butene, 2-methyl-	c563462
1012	C5H10	2-Butene, 2-methyl-	c513359
1013	C5H10	2-Pentene, (E)-	c646048
1014	C5H10	2-Pentene, (Z)-	c627203
1015	C5H10	Cyclopentane	c287923
1016	C5H10	Cyclopropane, 1,1-dimethyl-	c1630940
1017	CH2CHCH2CH2CH3	1-pentene	pentene
1018	C5H11	2-Methylbut-2-yl radical	c4348350
1019	C5H12	Butane, 2-methyl-	buta2
1020	C5H12	Pentane	pentane
1021	C5H12	Propane, 2,2-dimethyl-	neopentane
1022	Si(CH3)4	tetramethylsilane	tms
1023	N2O3	Dinitrogen trioxide	n2o3
1024	C3H2N2	Malononitrile	c3h2n2
1025	CH2N4	1H-Tetrazole	1htz
1026	C3H3N2	imidazolyl radical	im
1027	C3H3N2-	imidizolyl anion	im-
1028	C2H3N3	1H-1,2,4-Triazole	c288880
1029	C4H4N	pyrrolide radical	c4h4n
1030	C4H4N-	pyrrolide anion	c4h4n-
1031	C3H4N2	1H-Imidazole	1himidaz
1032	C3H4N2	1H-Pyrazole	1hpyraz
1033	C3H4N2	2H-Imidazole	imid2h
1034	C3H4N2	4H-Imidazole	imid4h
1035	C4H5N	(E)-2-Butenenitrile	c627269
1036	C4H5N	(Z)-2-Butenenitrile	c1190767
1037	C4H5N	2H-pyrrole	pyrrole2
1038	C4H5N	3H-pyrrole	pyrrole3
1039	C4H5N	Cyclopropanecarbonitrile	c5500210
1040	CH2CHCH2CN	Allylcyanide	ch2chch2cn
1041	C4H6N+	pyrrole, alpha-protonated	appyr
1042	C4H6N+	pyrrole, beta-protonated	bppyr
1043	C4H6N+	pyrrole, protonated	ppyr
1044	C3H6N2	3-Aminopropionitrile	c151188
1045	CH3CH(CH3)CN	Propanenitrile, 2-methyl-	c4h7n
1046	CH3CH2CH2CN	Butanenitrile	c109740
1047	C5H8	Bicyclo[2.1.0]pentane	c185944
1048	C5H8	Spiropentane	c157404
1049	C4H9N	Cyclobutylamine	cbam
1050	C4H9N	Pyrrolidine	pyrrolidine
1051	C3H10N2	1,2-Diaminopropane	diampr12
1052	C(CH3)3NH2	2-Propanamine, 2-methyl-	c75649
1053	C(NH2)H2C(CH3)HCH3	1-Propanamine, 2-methyl-	c78819
1054	C(NH2)H2CH2CH2CH3	1-Butanamine	butam1
1055	CH3C(NH2)HCH2CH3	2-Butanamine	butam2
1056	NH(C2H5)2	diethylamine	dea
1057	NC4H12+	tetramethyl ammonium cation	nc4h12+
1058	C3O2+	Carbon suboxide cation	c3o2+
1059	MgCO3	Magnesium Carbonate	mgco3
1060	BeCO3	Beryllium Carbonate	beco3
1061	CaCO3	Calcium Carbonate	caco3
1062	ONONO	Nitrosyl nitrite	onono
1063	PO4---	phosphate	po4---
1064	SO4--	sulfate	so4--
1065	HOONO2	peroxy nitric acid	hoono2
1066	HSO4-	bisulfate anion	hso4-
1067	C2H2N2S	1,3,4-Thiadiazole	c2h2n2s
1068	C3H2O2	Propiolic acid	c3h2o2
1069	CHOCOOH	oxo acetic acid	oaa
1070	H2SO4	Sulfuric acid	h2so4
1071	H2SeO4	Selenic acid	h2seo4
1072	C3H3NO	Oxazole	oxazole
1073	CH3C(O)OO	acetyl peroxy radical	ch3coo2
1074	CH3NO3	Methyl nitrate	ch3no3
1075	H3PO4	Phosphoric Acid	h3po4
1076	C4H4O+	Furan cation	furan+
1077	CH3COCCH	3-butyn-2-one	c1423605
1078	C4H4S	Thiophene	furans
1079	C3H4O2	β–Propiolactone	beta
1080	C3H4O2	2-Propenoic acid	propenoic2
1081	C3H4O2	Methyl glyoxal	megly
1082	C3H4O2	propanedial	propanedial
1083	C3H4O2	propenalol	propenalol
1084	HOCHCCHOH	allenediol	aldiol
1085	C2H4O3	1,2,3-trioxolane	c2h4o3
1086	C2H4O3	trioxolane124	triox
1087	HOCH2COOH	Hydroxyacetic acid	hac
1088	CH2CHCONH2	Acrylamide	c79061
1089	CH3OCH2CN	Methoxyacetonitrile	c1738369
1090	CH5N3S	Hydrazinecarbothioamide	c79196
1091	H2NCH2COOH	Glycine	glycine
1092	CH3SO2NH2	methanesulfonamide	ch3so2nh2
1093	C4H6O	cis-2-butenal	butenal2c
1094	C4H6O	Cyclobutanone	cbutone
1095	C4H6O	Furan, 2,3-dihydro-	furan23h
1096	C4H6O	Furan, 2,5-dihydro-	furan25h
1097	CH2CHOCHCH2	Vinyl ether	vinylether
1098	CHOCHCHCH3	2-Butenal	butenal2
1099	C4H6S	Thiophene, 2,3-dihydro-	thiop23h
1100	C4H6S	Thiophene, 2,5-dihydro-	thiop25h
1101	CH2CHSCHCH2	Divinyl sulfide	divis
1102	C2H6N2O	Urea, methyl-	c598505
1103	C3H6O2	1,3-Dioxolane	dioxolane
1104	CH3CH2COOH	Propanoic Acid	propanoic
1105	CH3COOCH3	methyl acetate	aame
1106	CH3SSSCH3	dimethyl trisulfide	c2h6s3
1107	C3H7NO	dimethylformamide	dmf
1108	C3H7NO	Propanamide	propanam
1109	C2H3OC2H5	Ethene, ethoxy-	c109922
1110	C4H8O	Cyclobutanol	c2919235
1111	C4H8O	Furan, tetrahydro-	thf
1112	CH2C(CH3)OCH3	1-Propene, 2-methoxy-	pre1meo2
1113	CH3COCH2CH3	2-Butanone	buta2one
1114	CHOCH(CH3)CH3	Propanal, 2-methyl-	c78842
1115	CHOCH2CH2CH3	Butanal	butanal
1116	C3H8O2	1,3-Propanediol	c504632
1117	C3H8O2	Hydroperoxide, 1-methylethyl	c3031752
1118	C3H8O2	Methane, dimethoxy-	c109875
1119	C3H8O2	Propylene glycol	c57556
1120	C3H8S2	1,3-Propanedithiol	c109808
1121	C4H10O	1-Butanol	butanol1
1122	C4H10O	1-Propanol, 2-methyl-	c78831
1123	C4H10O	2-Butanol, (.+/-.)-	butanol2
1124	C4H10O	Ethanol, 1,1-dimethyl-	tbuoh
1125	C4H10O	Propane, 2-methoxy-	c598538
1126	C4H10O+	1-Butanol cation	butanol1+
1127	C(CH3)3SH	2-Propanethiol, 2-methyl-	tbush
1128	C2H5SC2H5	Diethyl sulfide	etset
1129	CH2(SH)CH(CH3)CH3	1-Propanethiol, 2-methyl-	c513440
1130	CH3C(SCH3)HCH3	Propane, 2-(methylthio)-	mesipr
1131	CH3CH(SH)CH2CH3	2-Butanethiol	butansl2
1132	FNO3	Fluorine nitrate	fno3
1133	ClONO2	Chlorine nitrate	clono2
1134	BrONO2	Bromine nitrate	brono2
1135	TiCl4	Titanium tetrachloride	ticl4
1136	ClO4-	perchlorate anion	clo4-
1137	BF4-	tetrafluoroboron anion	bf4-
1138	ClFO3	Perchloryl fluoride	clfo3
1139	SO2F2	Sulfuryl fluoride	so2f2
1140	SO2Cl2	Sulfuryl chloride	so2cl2
1141	F3NO	Nitrogen trifluoride oxide	f3no
1142	F3PO	Phosphoryl fluoride	pf3o
1143	Cl3PO	Phosphoryl chloride	pcl3o
1144	CF4	Carbon tetrafluoride	cf4
1145	SiF4	Silicon tetrafluoride	sif4
1146	TiF4	Titanium tetrafluoride	tif4
1147	CFCl3	Trichloromonofluoromethane	cfcl3
1148	CCl4+	Carbon tetrachloride cation	ccl4+
1149	CBrClF2	Methane, bromochlorodifluoro-	cbrclf2
1150	SiCl4	Silane, tetrachloro-	sicl4
1151	CF3I	trifluoroiodomethane	cf3i
1152	CBrCl3	Methane, bromotrichloro-	cbrcl3
1153	CBr2F2	Methane, dibromodifluoro-	cbr2f2
1154	GeCl4	Germanium Tetrachloride	gecl4
1155	CCl3I	trichloroiodomethane	ccl3i
1156	CFBr3	fluorotribromomethane	cfbr3
1157	CFClBrI	fluorochlorobromoiodomethane	cfclbri
1158	CF2I2	difluorodiiodomethane	cf2i2
1159	CCl2I2	dichlorodiiodomethane	ccl2i2
1160	SiBr4	Silicon tetrabromide	sibr4
1161	CBr3I	tribromoiododmethane	cbr3i
1162	CI4	tetraiodomethane	ci4
1163	SiI4	silicon tetraiodide	sii4
1164	ClOF3	Chlorine trifluoride oxide	clof3
1165	C2HF3	Trifluoroethylene	c2hf3
1166	C2HF3+	Trifluoroethylene cation	c2hf3+
1167	CHClCCl2	Trichloroethylene	chclccl2
1168	CHBrCF2	1-Bromo-2,2-difluoroethylene	chbrcf2
1169	HClO4	perchloric acid	hclo4
1170	HSO3F	Fluorosulfonic acid	hso3f
1171	CF3OH	trifluoromethanol	cf3oh
1172	CHClCCHCl	1,3-dichloroallene	chclcchcl
1173	PF3CH2	phosphorane, trifluoromethylene-	pf3ch2
1174	CH3CF3	Ethane, 1,1,1-trifluoro-	ch3cf3
1175	CH3CF2Cl	1-Chloro-1,1-Difluoroethane	ch3cf2cl
1176	CH3CFCl2	1,1-Dichloro-1-fluoroethane	ch3cfcl2
1177	CH2ClCHCl2	1,1,2-trichloroethane	ch2clchcl2
1178	CH3CCl3	Ethane, 1,1,1-trichloro-	ch3ccl3
1179	SiCl3CH3	methyltrichlorosilane	sicl3ch3
1180	CH3CBr3	1,1,1-tribromoethane	ch3cbr3
1181	NH3BCl3	Amminetrichloroboron	nh3bcl3
1182	SiH3CCl3	(trichloromethyl)silane	sih3ccl3
1183	C3H5ClO	Oxirane, (chloromethyl)-	c106898
1184	CH3CF2CH3	2,2-difluoropropane	ch3cf2ch3
1185	CH2ClCH2CH2Cl	1,3-dichloropropane	prdicl13
1186	CH2ClCHClCH3	Propane, 1,2-dichloro-	prdicl12
1187	CHCl2CH2CH3	1,1-dichloropropane	prdicl11
1188	SiCl2(CH3)2	dichlorodimethylsilane	sicl2me2
1189	CH2CClCH2CH3	1-Butene, 2-chloro-	bute1cl2
1190	CH2CHCH2CH2Cl	1-Butene, 4-chloro-	bute1cl4
1191	CH2CHCHClCH3	1-Butene, 3-chloro-	bute1cl3
1192	CH2ClCHCHCH3	2-Butene, 1-chloro-	bute2cl1
1193	CH3CClCHCH3	2-Butene, 2-chloro-, (E)-	bute2cl2e
1194	CH3CClCHCH3	2-Butene, 2-chloro-, (Z)-	bute2cl2z
1195	CHClCHCH2CH3	(E)-1-Chloro-1-butene	bute1cl1
1196	CHClCHCH2CH3	(Z)-1-Chloro-1-butene	bute1cl1z
1197	C4H9F	1-fluorobutane	butaf1
1198	CH3CHFCH2CH3	2-fluorobutane	butaf2
1199	CH2ClCH2CH2CH3	Butane, 1-chloro-	butacl1
1200	CH3CCl(CH3)CH3	Propane, 2-chloro-2-methyl-	procl2me2
1201	CH3CHClCH2CH3	Butane, 2-chloro-	butacl2
1202	XeF4	Xenon tetrafluoride	xef4
1203	CF3PH2	phosphine, (trifluoromethyl)-	cf3ph2
1204	NH3BF3	Amminetrifluoroboron	nh3bf3
1205	C6H2	hexatriyne	c6h2
1206	C6H4	(E)-Hexa-1,5-diyne-3-ene	c6h4e
1207	C6H4	(Z)-Hexa-1,5-diyne-3-ene	c6h4z
1208	C6H4	Benzyne	benzyne
1209	C6H5	phenyl	phenyl
1210	C6H5-	phenyl anion	phenyl-
1211	C6H6	2,4-Hexadiyne	hexadiyne
1212	C6H6	3,4-Dimethylenecyclobutene	cb34m
1213	C6H6	Benzvalene	bv
1214	C6H6	Hexa-1,5-diene-3-yne	hdy153
1215	C6H6	Trimethylenecycopropane	tmcp
1216	C6H6+	Benzene cation	c6h6+
1217	C6H7+	benzene, protonated	c6h7+
1218	C6H8	(E)-hexa-1,3,5-triene	c821078
1219	C6H8	(E)-hexa-2,3,4-triene	c59660650
1220	C6H8	(Z)-hexa-1,3,5-triene	hexatri135
1221	C6H8	(Z)-hexa-2,3,4-triene	hetr234c
1222	C6H8	1,3-Cyclohexadiene	cyhexadiene13
1223	C6H8	1,4-Cyclohexadiene	cyhexadiene14
1224	C6H8	3-Methylenecyclopentene	c930267
1225	C6H8	Bicyclo[2.1.1]hex-2-ene	c822413
1226	C6H8	Bicyclo[2.2.0]hex-1(4)-ene	c30830207
1227	C6H8	Bicyclo[3.1.0]hex-2-ene	c694019
1228	C6H10	1,3-Hexadiene, (E)-	hexdi13e
1229	C6H10	1,3-Hexadiene, (Z)-	hexdi13z
1230	C6H10	1,4-Hexadiene, (E)-	hexdi14t
1231	C6H10	1,4-Hexadiene, (Z)-	hexdi14z
1232	C6H10	1,5-Hexadiene	c592427
1233	C6H10	1-Butyne, 3,3-dimethyl-	c917920
1234	C6H10	1-Hexyne	hexyne1
1235	C6H10	2,4-Hexadiene, (E,E)-	hexdi24ee
1236	C6H10	2,4-Hexadiene, (E,Z)-	hexdi24ez
1237	C6H10	2,4-Hexadiene, (Z,Z)-	hexdi24zz
1238	C6H10	2-Hexyne	c764352
1239	C6H10	3-Hexyne	hexyne3
1240	C6H10	cyclohexene	cyclohexene
1241	C6H10	Cyclopentene, 1-methyl-	c693890
1242	C6H10	Cyclopentene, 3-methyl-	c1120623
1243	C6H10	Cyclopentene, 4-methyl-	c1759815
1244	C4H6(CH3)2	1,1-dimethylcyclobutane	dmcb11
1245	C6H12	(1R,2R)-1,2-dimethylcyclobutane	dmcb12t
1246	C6H12	(1r,3r)-1,3-dimethylcyclobutane	dmcb13t
1247	C6H12	(E)-2-Hexene	e2hexene
1248	C6H12	(E)-3-methylpent-2-ene	c616126
1249	C6H12	(E)-hex-3-ene	e3hexene
1250	C6H12	(Z)-3-methylpent-2-ene	c922623
1251	C6H12	(Z)-hex-2-ene	z2hexene
1252	C6H12	(Z)-hex-3-ene	z3hexene
1253	C6H12	2,3-dimethylbut-1-ene	c563780
1254	C6H12	2,3-dimethyl-but-2-ene	tmeet
1255	C6H12	3-methylenepentane	c760214
1256	C6H12	cis-1,2-dimethylcyclobutane	dmcb12c
1257	C6H12	cis-1,3-dimethylcyclobutane	dmcb13c
1258	C6H12	Cyclohexane	cyclohexane
1259	C6H12	Cyclopentane, methyl-	c96377
1260	C6H12	Ethylcyclobutane	c4806615
1261	C6H12	hex-1-ene	hexene1
1262	C6H14	Butane, 2,2-dimethyl-	buta22
1263	C6H14	Butane, 2,3-dimethyl-	buta23
1264	C6H14	Hexane	hexane
1265	C6H14	Pentane, 2-methyl-	penta2
1266	C6H14	Pentane, 3-methyl-	penta3
1267	C4N2	2-Butynedinitrile	c4n2
1268	C4H2N2	Fumaronitrile	c4h2n2
1269	C2H2N4	sym-tetrazine	ttz
1270	C3H3N3	1,3,5-Triazine	triazine135
1271	CH3N5	5-Aminotetrazole	c4418615
1272	C4H4N2	1,3-Diazine	diazine13
1273	C4H4N2	Pyrazine	pyrazine
1274	C4H4N2	Pyridazine	pyridazine
1275	C4H4N2	Succinonitrile	c110612
1276	C2H4N4	1H-Tetrazole, 1-methyl-	c16681779
1277	C2H4N4	1H-Tetrazole, 5-methyl-	c4076362
1278	C2H4N4	2H-Tetrazole, 2-methyl-	c16681780
1279	C5H5N	Bicyclo[1.1.0]butane-1-carbonitrile	bibucn
1280	C5H5N	E-2,4-pentadienenitrile	bdcn
1281	C5H5N	Pyridine	pyridine
1282	B3N3H6	borazine	borazine
1283	C6H6	Fulvene	fulvene
1284	C5H6N+	Pyridinium	c5h6n
1285	C4H6N2	1H-Imidazole, 2-methyl-	c693981
1286	C5H7N	(E)-2-Pentenenitrile	c26294984
1287	C5H7N	(E)-3-Pentenenitrile	c16529661
1288	C5H7N	(Z)-2-Pentenenitrile	c25899507
1289	C5H7N	1H-Pyrrole, 1-methyl-	c96548
1290	C5H7N	Cyclobutanecarbonitrile	c4426113
1291	C5H9N	1,2,3,6-Tetrahydropyridine	c694053
1292	C5H9N	Butanenitrile, 2-methyl-	c18936179
1293	C5H9N	Pentanenitrile	c110598
1294	C5H9N	Propanenitrile, 2,2-dimethyl-	c630182
1295	C6H10	Bicyclo[3.1.0]hexane	c285585
1296	C5H11N	Cyclopentanamine	cypentam
1297	C5H11N	Piperidine	piper
1298	C4H12N2	1,2-Butanediamine	c4426486
1299	C4H12N2	2-Methyl-1,2-propanediamine	c811938
1300	Li2CO3	Lithium Carbonate	li2co3
1301	Na2CO3	Sodium Carbonate	na2co3
1302	C2O4--	oxalate anion	c2o4
1303	MgSO4	Magnesium Sulfate	mgso4
1304	C2H2O4	Oxalic Acid	oxalic
1305	C2H3NO3	Oxamic acid	oxamic
1306	C4H4O2	2(5H)-Furanone	furanone
1307	C4H4O2	2-Oxetanone, 4-methylene-	c674828
1308	C2H4N2O2	Oxalamide	oxalamide
1309	C2H4N2S2	Ethanedithioamide	c79403
1310	C2H4CO3	Ethylene carbonate	etco3
1311	C3H4O2S	2H-Thiete-1,1-dioxide	c7285327
1312	C3H4S3	1,3-Dithiolane-2-thione	c822388
1313	C2H4O4	Formic acid dimer	fadimer
1314	C4H5NO	3-Methylisoxazole	isox3m
1315	C4H5NO	Isoxazole, 5-methyl-	c5765446
1316	C4H5NS	4-Methylthiazole	c693958
1317	C2H5NO3	Nitric acid, ethyl ester	c625581
1318	C5H6O	2-methylfuran	furan2m
1319	C5H6O	3-Methylfuran	furan3m
1320	C5H6S	Thiophene, 2-methyl-	c554143
1321	C5H6S	Thiophene, 3-methyl-	c616444
1322	C4H6O2	2,3-Butanedione	c431038
1323	C4H6O2	2-Propenoic acid, methyl ester	c96333
1324	C4H6O2	Crotonic Acid	crot
1325	C4H6OS	2,3-dihydrothiophene-2-ol	c9000117
1326	C4H6OS	2,5-dihydrothiophene-3-ol	c9000093
1327	C4H6OS	4,5-dihydrothiophene-2-ol	c9000106
1328	C4H6OS	4,5-dihydrothiophene-3-ol	c9000082
1329	C4H6OS	Dihydro-2-(3H)-thiophenone	c1003107
1330	C4H6OS	Dihydro-3-(2H)-thiophenone	c1003049
1331	C4H6OS	Vinyl sulfoxide	c1115157
1332	CH6N4S	Carbonothioic dihydrazide	thiacarb
1333	C2H6N2O2	(E)-Azodioxymethane	c37765154
1334	C2H6N2O2	Dimethylnitroamine	c4164287
1335	C3H6S3	1,3,5-Trithiane	c3h6s3
1336	C3H6S3	Carbonotrithioic acid, dimethyl ester	c2314489
1337	C2H6O3S	Sulfurous acid, dimethyl ester	c616422
1338	C4H7NO	2-Pyrrolidinone	c616455
1339	C4H7NO	Ethoxyacetonitrile	etoaccn
1340	C4H7NO	Methacrylamide	c79390
1341	C4H7NO	Oxazole, 4,5-dihydro-2-methyl-	c1120645
1342	HCONH2CN2H4	formamide aminomethanimine dimer	d13
1343	C3H7ONO	Propyl nitrite	prono
1344	CH3CH(CH3)ONO	Isopropyl nitrite	c541424
1345	CH3CH(NH2)COOH	Alanine	alanine
1346	CH3NHCH2COOH	Sarcosine	sarcosine
1347	NH2CH2CH2COOH	β–alanine	betaalanine
1348	NH2COOC2H5	Urethane	urethane
1349	C5H8O	2H-Pyran, 3,4-dihydro-	c110872
1350	C5H8O	Cyclopentanone	c120923
1351	C5H8O	Furan, 2,3-dihydro-5-methyl-	c1487156
1352	C5H8O	Methyl cyclopropyl ketone	c765435
1353	N(CH3)2CONH2	Urea, N,N-dimethyl-	c598947
1354	NH(CH3)CONH(CH3)	Urea, N,N'-dimethyl-	c96311
1355	NH2CONHC2H5	Urea, ethyl-	c625525
1356	C4H8O2	1,3-Dioxane	dioxan13
1357	C4H8O2	1,3-Dioxolane, 2-methyl-	c497267
1358	C4H8O2	1,4-Dioxane	dioxan14
1359	C4H8O2	Ethene, 1,1-dimethoxy-	c922690
1360	C4H8OS	s-Ethyl thioacetate	c625605
1361	C3H8O3	1,2,3-Propanetriol	glycerin
1362	C3H8O2S	(Methylsulfonyl)ethane	c594434
1363	C4H9NO	Butanamide	c541355
1364	C4H9NO	Propanamide, 2-methyl-	c563837
1365	C5H10O	2-Butanone, 3-methyl-	c563804
1366	C5H10O	2H-Pyran, tetrahydro-	c142687
1367	C5H10O	2-methylbutyraldehyde	2meba
1368	C5H10O	2-Pentanone	mpk
1369	C5H10O	Cyclopentanol	c96413
1370	C5H10O	Oxetane, 3,3-dimethyl-	c6921353
1371	C5H10O	Pentanal	pal
1372	C5H10S	2H-Thiopyran, tetrahydro-	c1613510
1373	C5H10S	3-Ethylthio-1-propene	c5296628
1374	C5H10S	Cyclopentanethiol	c1679078
1375	C5H10S	Thiophene, tetrahydro-2-methyl-	c1795091
1376	C5H10S	Thiophene, tetrahydro-3-methyl-	c4740005
1377	C4H10O2	1,1-Dimethoxyethane	c534156
1378	C4H10O2	1,3-Butanediol	budiol13
1379	C4H10O2	1,4-Butanediol	budiol14
1380	C4H10O2	Ethane, 1,2-dimethoxy-	c110714
1381	C4H10OS	Diethyl sulfoxide	c70291
1382	C4H10S2	1,4-Butanedithiol	budisl14
1383	C4H11NO	Diethylhydroxylamine	c3710847
1384	C5H12O	1-Butanol, 2-methyl-	c137326
1385	C5H12O	1-Butanol, 3-methyl-	c123513
1386	C5H12O	1-Pentanol	pentanol1
1387	C5H12O	2-Butanol, 3-methyl-	c598754
1388	C5H12O	2-Pentanol	peol2
1389	C5H12O	3-Pentanol	pentan3ol
1390	C5H12O	Butane, 1-methoxy-	meobu
1391	C5H12O	Propane, 1-ethoxy-	proet
1392	C5H12O	Propane, 2-methoxy-2-methyl-	c1634044
1393	C5H12S	1-Butanethiol, 2-methyl-	c1878188
1394	C5H12S	1-Butanethiol, 3-methyl-	c541311
1395	C5H12S	1-Pentanethiol	c110667
1396	C5H12S	1-Propanethiol, 2,2-dimethyl-	c1679089
1397	C5H12S	2-Butanethiol, 2-methyl-	c1679090
1398	C5H12S	2-Butanethiol, 3-methyl-	c2084186
1399	C5H12S	Butane, 1-(methylthio)-	c628295
1400	C5H12S	Ethyl propyl sulfide	c4110503
1401	C5H12S	Propane, 2-(ethylthio)-	c5145993
1402	C5H12S	Propane, 2-methyl-2-(methylthio)-	c6163640
1403	ClCOClCO	Oxalyl chloride	oxcl
1404	CF3CN	Acetonitrile, trifluoro-	cf3cn
1405	CF3CN+	Acetonitrile, trifluoro- cation	cf3cn+
1406	B2F4	Diboron tetrafluoride	b2f4
1407	B2Cl4	Diboron tetrachloride	b2cl4
1408	C2F4	Tetrafluoroethylene	c2f4
1409	C2F4+	Tetrafluoroethylene cation	c2f4+
1410	CF2CCl2	difluorodichloroethylene	cf2ccl2
1411	CFClCClF	trans-1,2-dichloro-1,2-difluoroethylene	cfclcclf
1412	CFClCFCl	cis-1,2-dichloro-1,2-difluoroethylene	cfclcfcl
1413	C2FCl3	fluorotrichloroethene	c2fcl3
1414	C2Cl4	Tetrachloroethylene	c2cl4
1415	CF3OF	Trifluoromethylhypofluorite	cf3of
1416	SOF4	Sulfur tetrafluoride oxide	sof4
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	C6H5O	phenoxy radical	phenoxy
1467	C5H5NO	2(1H)-Pyridinone	c72762006
1468	C5H5NO	2(3H)-Pyridinone	c9000048
1469	C5H5NO	2(5H)-Pyridinone	c9000037
1470	C5H5NO	2-Pyridinol	c109104
1471	C5H5NO	3(2H)-Pyridinone	c9000004
1472	C5H5NO	3(4H)-Pyridinone	c9000026
1473	C5H5NO	3(6H)-Pyridinone	c9000015
1474	C5H5NO	3-Pyridinol	c109002
1475	C5H5NO	4(1H)-Pryidinone	c9000060
1476	C5H5NO	4(3H)-Pryidinone	c9000059
1477	C5H5NO	4-Pyridinol	c626642
1478	C6H5OH	phenol	phenol
1479	C6H6O	2,4-Cyclohexadienone	c24599573
1480	C6H6O	2,5-Cyclohexadienone	c5664335
1481	C6H5SH	Benzenethiol	phsh
1482	HO2CCHNH2CH2OH	Serine	serine
1483	C5H8O2	Acetylacetone	acac
1484	C4H8O2S	Sulfolane	sulfolane
1485	C7H10	Norbornene	norbornene
1486	CH(C2H3)3	trivinyl methane	tvm
1487	C6H10O	cyclohexanone	chexo
1488	C6H12O	hexanal	c6h12o
1489	C3H7OC3H7	di-n-propyl ether	propr
1490	F2CCCF2	tetrafluoroallene	pfa
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	cyclooctatetraene	cot
1512	C6H5CH2CH3	Ethylbenzene	etbz
1513	CH3C6H4CH3	meta-xylene	mxylene
1514	CH3C6H4CH3	paraxylene	pxylene
1515	C8H14	Bicyclo[2.2.2]octane	bico222
1516	C8H16	cyclooctane	cyclooct
1517	(CH3)3CC(CH3)3	tetramethylbutane	tmb
1518	C8H18	Octane	c8h18
1519	C6H5CN	phenyl cyanide	phcn
1520	C6H12N2	Triethylenediamine	ted
1521	C4O4--	squarate dianion	c4o4--
1522	S4N4	Tetrasulfur tetranitride	s4n4
1523	S8	Octasulfur	s8
1524	C6H4O2	parabenzoquinone	pbq
1525	C4H4N2O2	Uracil	uracil
1526	C6H5OCH3	Anisole	anisole
1527	C5H9NO2	Proline	proline
1528	C6H12O2	Methyl pivalate	c598981
1529	C6H12O2	Hexanoic acid	hexa
1530	C4F4	tetrafluorcyclobutadiene	c4f4
1531	Al2Cl6	Aluminum, di-μ-chlorotetrachlorodi-	al2cl6
1532	CF3CF2Cl	pentafluorochloroethane	cf3cf2cl
1533	CF2ClCF2Cl	1,2-Dichloro-1,1,2,2-tetrafluoroethane	cf2clcf2cl
1534	CF3CFCl2	1,1-Dichlorotetrafluoroethane	cf3cfcl2
1535	CF2ClCFCl2	Ethane, 1,1,2-trichloro-1,2,2-trifluoro-	cf2clcfcl2
1536	CF3CCl3	1,1,1-trifluoro-2,2,2-trichloroethane	cf3ccl3
1537	C2F6	hexafluoroethane	c2f6
1538	IF7	Iodine heptafluoride	if7
1539	C6H4F2	metadifluorobenzene	mdfb
1540	C6H4F2	orthodifluorobenzene	odfb
1541	C6H4Cl2	1,2-dichlorobenzene	dcb12
1542	C6H4Cl2	1,3-dichlorobenzene	dcb13
1543	C6H4Cl2	1,4-dichlorobenzene	dcb14
1544	C6H5NO	nitrosobenzene	bzno
1545	C9H8	Indene	indene
1546	C9H8	spiro[4.4]nona-1,3,6,8-tetraene	snt
1547	C9H12	n-propyl benzene	prbz
1548	C9H20	Nonane	nonane
1549	C(CN)4	tetracyanomethane	c5n4
1550	C5H4N4	purine	purine
1551	C8H7N	Indole	indole
1552	C3H3N3O3	cyanuric acid	cyanuric
1553	C6H5NO2	Nitrobenzene	c6h5no2
1554	C6H5COOH	benzoic acid	benzo
1555	CH3COC6H5	acetophenone	acph
1556	C3Cl3N3	1,3,5-Triazine, 2,4,6-trichloro-	c3cl3n3
1557	C6H3F3	Benzene trifluoride 123	bzf3a
1558	C10H8	Azulene	azu
1559	C10H8	naphthalene	naph
1560	C10H16	adamantane	adamantane
1561	C6N4	Tetracyanoethylene	tcne
1562	C6N4-	tetracyanoethylene anion	tcne-
1563	C10H22	Decane	decane
1564	C4F6	perfluorobutadiene	c4f6
1565	SF5CF3	Sulfur, pentafluoro(trifluoromethyl)-	sf5cf3
1566	C3F8	perfluoropropane	c3f8
1567	Fe(CO)5	Iron pentacarbonyl	ipc
1568	Fe(C5H5)2	ferrocene	fecp2
1569	B12H12--	Dodecahydrododecaborate(2-)	b12h12--
1570	C12H8	Acenaphthylene	acenaph
1571	C12H8	biphenylene	biph
1572	C12H10	biphenyl	biphenyl
1573	C12H10	Heptalene	heptalene
1574	C6H12O6	Inositol	inositol
1575	C6F6	hexafluorobenzene	c6f6
1576	S2F10	disulphur decafluoride	s2f10
1577	C14H10	Anthracene	anth
1578	C14H10	Phenanthrene	phenanthrene
1579	C14H14	Bibenzyl	bibenzyl
1580	C12H10N2	azobenzene	azobenzene
1581	C6H5COC6H5	benzophenone	benzophenone
1582	C16H10	Pyrene	pyrene
1583	C18H12	Tetracene	tetracene
1584	C19H16	Triphenylmethane	tpm
1585	C24H12	Coronene	coronene
1586	C60	Buckminsterfullerene	c60