National Institute of Standards and Technology

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

I	Introduction
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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 PBEPBEultrafine /6-31G(2df,p)

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count	Species	Name	State	Conformation
1	H	Hydrogen atom	1S	Kh
2	H2	Hydrogen diatomic	1Σg	D∞h
3	He	Helium atom	1S	Kh
4	He	Helium atom
5	He+	Helium atom cation	2S	Kh
6	HeH+	Helium hydride cation	1Σ	C∞v
7	He2+	helium diatomic cation	2Σu	D∞h
8	Li	Lithium atom	2S	Kh
9	Li+	Lithium atom cation	1S	Kh
10	Na	Sodium atom	2S	Kh
11	Na+	Sodium atom cation	1S	Kh
12	K	Potassium atom	2S	Kh
13	LiH	Lithium Hydride	1Σ	C∞v
14	KH	Potassium 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	MgH	magnesium monohydride	2Σ	C∞v
20	ZnH+	Zinc, protonated
21	BeH2+	Beryllium dihydride cation
22	B	Boron atom	2P	Kh
23	B	Boron atom	4P	Kh
24	B+	Boron atom cation	1S	Kh
25	Al	Aluminum atom	2P	Kh
26	Al-	Aluminum atom anion	3P	Kh
27	Al+	Aluminum atom cation	1S	Kh
28	Ga	Gallium atom	2P
29	Ga-	Gallium atom anion	3P	Oh
30	Ga+	Gallium atom cation	1S
31	GaH	Gallium monohydride	1Σ	C∞v
32	GaH+	Gallium monohydride cation	2Σ	C∞v
33	BH3+	boron trihydride cation	2B2	C2v
34	BH3+	boron trihydride cation		C2v
35	AlH3-	aluminum trihydride anion		C3v
36	BH4-	borohydride anion	1A1	Td
37	C	Carbon atom	3P0	Kh
38	C	Carbon atom	3P1	Kh
39	C+	Carbon atom cation	2P	Kh
40	Si	Silicon atom	3P	Kh
41	Si	Silicon atom	1S	Kh
42	Si-	Silicon atom anion	4S	Kh
43	Si+	Silicon atom cation	2P	Kh
44	Ge	Germanium atom	3P	Kh
45	Ge-	Germanium anion	4S	Kh
46	Ge+	Germanium cation	2P	Kh
47	CH	Methylidyne	2Π1/2	C∞v
48	SiH	Silylidyne	2Π	C∞v
49	GeH	germylidene	2Π	C∞v
50	CH2-	methylene anion	2B1	C2v
51	GeH2	germylene	1A1	C2v
52	CH3	Methyl radical	2A1	D3h
53	SiH3	Silyl radical	2A1	C3v
54	SiH3+	Silyl cation	1A1'	D3h
55	GeH3	Germyl radical	2A1	C3v
56	GeH3+	germyl cation	1A1'	D3h
57	CH4	Methane	1A1	Td
58	SiH2D2	silane-d2
59	SiH4	Silane	1A1	Td
60	GeH4	Germane	1A1	Td
61	SiH5+	Silane, protonated
62	N	Nitrogen atom	4S	Kh
63	N	Nitrogen atom	2D	Kh
64	N+	Nitrogen atom cation	3P	Kh
65	P	Phosphorus atom	4S	Kh
66	As	Arsenic atomic	4S	Kh
67	As-	Arsenic anion	3P	Kh
68	As+	Arsenic cation	3P	Kh
69	PH	phosphorus monohydride	3Σ-	C∞v
70	AsH	Arsenic monohydride	3Σ	C∞v
71	NH2	Amino radical	2B1	C2v
72	NH2+	Amino cation	3B1	C2v
73	NH2+	Amino cation	1A1	C2v
74	NH3	Ammonia	1A1	C3v
75	PH3	Phosphine	1A1	C3v
76	PH3+	Phosphine cation	2A1	C3v
77	AsH3	Arsine	1A1	C3v
78	AsH3+	Arsine cation	2A1	C3v
79	AsH4+	Arsonium
80	NH4	Ammonium radical
81	PH4	Phosphoranyl radical
82	O	Oxygen atom	3S	Kh
83	O+	Oxygen atom cation	4S	Kh
84	S	Sulfur atom	3P	Kh
85	S	Sulfur atom
86	Se	Selenium atom	3P	Kh
87	Se-	Selenium atom anion	2P	Kh
88	Se+	Selenium atom cation	4S	Kh
89	OH	Hydroxyl radical	2Π	C∞v
90	OH+	hydoxyl cation	3Σ	C∞v
91	HS-	mercapto anion	1Σ	C∞v
92	HS+	sulfur monohydride cation	3Σ	C∞v
93	CrH	Chromium hydride	6Σ	C∞v
94	HSe	Selenium monohydride	2Π	C∞v
95	HSe-	selenium monohydride anion	1Σ	C∞v
96	HSe+	selenium monohydride cation	3Σ	C∞v
97	H2O	Water	1A1	C2v
98	H2O-	water anion	2A1	C2v
99	H2O-	water anion	2A'	Cs
100	H2O+	water cation	2B1	C2v
101	HDO	Water-d1	1A1	C2v
102	H2S	Hydrogen sulfide	1A1	C2v
103	H2Se	Hydrogen selenide	1A1	C2v
104	H2Se+	Hydrogen selenide cation	2B1	C2v
105	H3S+	Sulfonium cation	1A1	C3v
106	H3Se+	Hydrogen Selenide, protonated	1A1	C3v
107	F	Fluorine atom	2P	Kh
108	F+	Fluorine atom cation	3S	Kh
109	Cl	Chlorine atom	2P	Kh
110	Cl+	Chlorine atom cation	3P	Kh
111	Br	Bromine atom	2P	Kh
112	Br-	Bromine atom anion	1S	Kh
113	Br+	Bromine atom cation	3P	Kh
114	HF	Hydrogen fluoride	1Σ	C∞v
115	HF-	hydrogen fluoride anion	2Σ	C∞v
116	HF+	hydrogen fluoride cation	2Π	C∞v
117	HCl	Hydrogen chloride	1Σ	C∞v
118	HCl-	hydrogen chloride anion	2Σ	C∞v
119	HCl+	hydrogen chloride cation	2Π	C∞v
120	HBr	hydrogen bromide	1Σ	C∞v
121	HBr-	hydrogen bromide anion	2Σ	C∞v
122	HBr+	hydrogen bromide cation	2Π	C∞v
123	H2Cl+	dihydrogen monochloride cation	1A1	C2v
124	H2Br+	protonated hydrogen bromide	2A1	C2v
125	Ne	Neon atom	1S	Kh
126	Ne	Neon atom
127	Ne+	Neon atom cation	2P	Kh
128	Ar	Argon atom	1S	Kh
129	Kr	Krypton atom	1S	Kh
130	Kr+	Krypton cation	2P	Kh
131	HeLi+	Helium Lithium cation
132	ArH+	Argon hydride cation	1Σ	C∞v
133	KrH+	Protonated Krypton	1Σ	C∞v
134	NaLi	lithium sodium	1Σ	C∞v
135	Na2	Sodium diatomic	1Σg	D∞h
136	Na2-	sodium diatomic anion	2Σu	D∞h
137	LiAl	Lithium Aluminum
138	HBBH	Diborane(2)	3ΣG	D∞h
139	B2H4	Diborane(4) D2d	1A1	D2d
140	B2H6	Diborane	1Ag	D2h
141	B2H6+	Diborane cation
142	CaC	Calcium monocarbide
143	BSi	Boron silicide	4Σ	C∞v
144	BSi	Boron silicide	2Σ	C∞v
145	GeC	Germanium monocarbide	1Σ	C∞v
146	SiGe	Silicon Germanium
147	C2H-	Ethynyl anion	1Σ	C∞v
148	C2H2	Acetylene	1Σg	D∞h
149	C2H2+	acetylene cation	2Πu	D∞h
150	C2H2+	acetylene cation
151	H2CC-	vinylidene anion
152	HCCH-	acetylene anion
153	HCCH-	acetylene anion
154	Si2H2	disilyne
155	Si2H2	disilyne
156	Si2H2	disilyne
157	Si2H2	disilyne
158	CH3Li	methyl lithium	1A1	C3v
159	C2H3	vinyl	2A'	Cs
160	C2H3+	vinyl cation	1A1	C2V bridging H
161	C2H3+	vinyl cation	1A1	C2V HCCH2
162	C2H4	Ethylene	1Ag	D2h
163	Si2H4	Disilene
164	Si2H4	Disilene
165	Si2H4	Disilene
166	C2H5	Ethyl radical	2A'	Cs
167	C2H6	Ethane	1A1g	D3d
168	Si2H6	disilane	1Eu	D3d
169	LiN	Lithium Nitride	3Σ	C∞v
170	LiP	Lithium monophosphide
171	LiP	Lithium monophosphide
172	MgN	Magnesium Nitride
173	MgN	Magnesium Nitride
174	GaAs	Gallium arsenide	3Π
175	GaAs	Gallium arsenide	1Σ
176	CN	Cyano radical	2Σ	C∞v
177	SiP	Silicon monophosphide	2Π	C∞v
178	N2	Nitrogen diatomic	1Σg	D∞h
179	N2	Nitrogen diatomic
180	PN	Phosphorus mononitride	1Σ	C∞v
181	HCN	Hydrogen cyanide	1Σ	C∞v
182	HCN+	hydrogen cyanide cation	2Π	C∞v
183	HNC+	hydrogen isocyanide cation
184	HCP+	Phosphaethyne cation
185	NNH+	Dinitrogen monohydride cation	1Σ	C∞v
186	LiNH2	lithium amide
187	HBNH	Boranimine	1Σ	C∞v
188	H2NN	Isodiazene
189	CH2NH	Methanimine	1A'	Cs
190	CH2NH+	Methanimine cation
191	CHNH2	aminomethylene
192	CHNH2+	Aminocarbene cation
193	BH2NH2	Boranamine
194	CH3NH2	methyl amine	1A'	Cs
195	SiH3NH2	Silane, amino
196	BH3PH3	borane phosphine
197	BH3NH3	borane ammonia	1A1	C3v
198	CH3NH3	methyl ammonium radical	2A1	C3v
199	N2H7+	ammonia ammonium dimer
200	LiSe	Lithium monoselenide
201	CaO	Calcium monoxide	1Σ	C∞v
202	CaS	Calcium sulfide	1Σ	C∞v
203	BO	boron monoxide	2Σ	C∞v
204	GaO	Gallium monoxide	2Σ	C∞v
205	GaS	Gallium monosulfide
206	CO	Carbon monoxide	1Σ	C∞v
207	CO+	carbon monoxide cation	2Σ	C∞v
208	SiO	Silicon monoxide	1Σ	C∞v
209	SiS	silicon monosulfide	1Σ	C∞v
210	CSe	Carbon monoselenide	1Σ	C∞v
211	GeO	Germanium monoxide	1Σ	C∞v
212	SiSe	Silicon Monoselenide
213	SiSe+	Silicon Monoselenide cation
214	GeSe	Germanium monoselenide
215	NO	Nitric oxide	2Π	C∞v
216	NO-	nitric oxide anion	3Σ	C∞v
217	NO+	nitric oxide cation	1Σ	C∞v
218	PS	phosphorus sulfide	2Σ	C∞v
219	O2	Oxygen diatomic	3Σg	D∞h
220	O2--	dioxygen dianion
221	SO	Sulfur monoxide	3Σ	C∞v
222	SO	Sulfur monoxide	1Σ	C∞v
223	SO+	sulfur monoxide cation	2Π	C∞v
224	S2	Sulfur diatomic	3Σg	D∞h
225	SeO	Selenium monoxide	3Σ	C∞v
226	Se2	Selenium diatomic	3Σg	D∞h
227	LiOH	lithium hydroxide	1Σ	C∞v
228	KOH	Potassium hydroxide	1Σ	C∞v
229	BeOH	beryllium monohydroxide	2A'	Cs
230	HBO	Boron hydride oxide	1Σ	C∞v
231	HBS	hydrogen boron sulfide	1Σ	C∞v
232	COH	Hydroxymethylidyne
233	HCO	Formyl radical	2A'	Cs
234	HCO-	formyl anion	1A'	Cs
235	HCO+	Formyl cation	1Σ	C∞v
236	HNO	Nitrosyl hydride	1A'	Cs
237	HNO+	Nitrosyl hydride cation	2A'	Cs
238	HSO+	Sulfur Monoxide, S-protonated
239	SOH	Sulfur Hydroxide
240	SOH+	Sulfur Monoxide, protonated
241	H2CO	Formaldehyde	1A1	C2v
242	H2CO-	formaldehyde anion	2A'	Cs
243	H2CO-	formaldehyde anion
244	H2CO+	formaldehyde cation	2B2	C2v
245	H2CS	Thioformaldehyde	1A1	C2v
246	H2CS-	thioformaldehyde anion
247	H2CS-	thioformaldehyde anion
248	H2CSe	Selenoformaldehyde
249	H2O2	Hydrogen peroxide	1A	C2
250	H2O2	Hydrogen peroxide	1Ag	C2h
251	H2OO	water oxide
252	HOSH	hydrogen thioperoxide
253	H2Se2	hydrogen diselenide
254	NH2OH	hydroxylamine	1A'	Cs
255	NH2OH+	Hydroxylamine cation
256	NH2SH	Thiohydroxylamine
257	NH2SH	Thiohydroxylamine
258	NH3S	sulfidoazane
259	CH3OH	Methyl alcohol	1A'	Cs
260	CH3OH+	Methyl alcohol cation	2A"	Cs
261	CH3SH	Methanethiol	1A'	Cs
262	SiH3OH	silanol
263	NH2OH2+	protonated hydroxylamine
264	NH3OH+	N-protonated hydroxylamine
265	H5O2+	Dihydroxonium ion	1A	C2
266	LiF	lithium fluoride	1Σ	C∞v
267	LiCl	lithium chloride	1Σ	C∞v
268	NaF+	sodium fluoride cation	2Σ	C∞v
269	LiBr	Lithium Bromide	1Σ	C∞v
270	LiF+	lithium fluoride cation	2Π	C∞v
271	CaBr	Calcium monobromide
272	BF	Boron monofluoride	1Σ	C∞v
273	AlF	Aluminum monofluoride	1Σ+	C∞v
274	GaF	Gallium monofluoride	1Σ	C∞v
275	AlBr	Aluminum monobromide
276	GaCl	Gallium monochloride	1ΣG	C∞v
277	GaBr	Gallium monobromide
278	CF	Fluoromethylidyne	2Π	C∞v
279	SiCl	Clorosilylidyne	2Π	C∞v
280	CBr	Carbon monobromide	2Π	C∞v
281	GeF	Germanium monofluoride	2Π	C∞v
282	GeCl	Germanium monochloride	2Π	C∞v
283	GeCl+	Germanium monochloride cation
284	SiBr	Silicon monobromide	2Π	C∞v
285	SiBr+	Silicon monobromide cation
286	NCl	nitrogen monochloride	3Σ	C∞v
287	PBr	Phosphorus monobromide
288	ClO	Monochlorine monoxide	2Π	C∞v
289	ClO+	chlorine monoxide cation	3Σ	C∞v
290	SF	Monosulfur monofluoride	2Π	C∞v
291	SF+	sulfur monofluoride cation	3Σ	C∞v
292	SCl+	sulfur monochloride cation	3Σg	C∞v
293	BrO	Bromine monoxide	2Π	C∞v
294	BrO+	Bromine monoxide cation
295	SBr	Sulfur monobromide radical
296	SBr+	Sulfur monobromide cation
297	SeBr	Selenium monobromide
298	BrCl	Bromine monochloride	1Σ	C∞v
299	F2	Fluorine diatomic	1Σg	D∞h
300	F2+	flourine diatomic cation	2Πg	D∞h
301	ClF	Chlorine monofluoride	1Σ+	C∞v
302	ClF+	clorine monofluoride cation	2Π	C∞v
303	Cl2	Chlorine diatomic	1Σg	D∞h
304	Cl2+	chlorine diatomic cation	2Πg	D∞h
305	BrF	Bromine monofluoride	1Σ	C∞v
306	Br2	Bromine diatomic	1Σg	D∞h
307	Br2-	bromine diatomic anion	2Σu	D∞h
308	Br2+	bromine diatomic cation	2Πg	D∞h
309	HCF	Fluoromethylene	1A'	Cs
310	HCF	Fluoromethylene	3A"	Cs
311	HSiF	fluorosilylene
312	HSiCl	Chlorosilylene
313	HSiBr	monobromosilylene
314	HOF	Hypofluorous acid	1A'	Cs
315	HOCl	hypochlorous acid	1A'	Cs
316	HOCl+	hypochlorous acid cation
317	F2H+	Fluorine, protonated	1A'	Cs
318	ClFH+	Chlorine fluoride, F-protonated
319	FClH+	Chlorine fluoride, Cl-protonated
320	Cl2H+	Chlorine, protonated	1A'	Cs
321	CH2Br	bromomethyl radical
322	CH2F	fluoromethyl radical	2A	Cs
323	CH2F+	fluoromethyl cation
324	CH2Cl+	chloromethyl cation
325	CH2Cl	chloromethyl radical	2A'	Cs
326	CH2Cl	chloromethyl radical	2B1	C2v
327	NH2Cl	chloramine	1A'	Cs
328	CH3F+	methyl fluoride cation
329	CH3F	Methyl fluoride	1A1	C3v
330	CH3Cl	Methyl chloride	1A1	C3v
331	CH3Cl+	Methyl chloride cation
332	SiH3F	monofluorosilane	1A1	C3v
333	SiH3Cl	chlorosilane	1A1	C1
334	CH3Br	methyl bromide	1A1	C3v
335	GeH3F	monofluorogermane
336	GeH3Cl	monochlorogermane
337	NH3Cl+	protonated monochloroammonia
338	CH3ClH+	methyl chloride, protonated
339	NH4Cl	Ammonium chloride
340	LiNe+	Lithium Neon cation
341	Ar2	Argon diatomic	1Sg	D∞h
342	C3	carbon trimer	1Σg	D∞h
343	C3	carbon trimer	1A1	C2v
344	SiC2	Silicon dicarbide
345	C3H4	cyclopropene	1A1	C2v
346	CH2CCH2	allene	1A1	D2d
347	CH3CCH	propyne	1A'	C3v
348	C3H5	Allyl radical	2A2	C2v
349	C3H6	Cyclopropane	1A1'	D3h
350	CH2CHCH3	Propene	1A'	Cs
351	C3H7	n-Propyl radical	2A"	C1
352	CH3CHCH3	Isopropyl radical	2A	C2
353	C3H8	Propane	1A1	C2v
354	Si3H8	trisilane
355	ZnCN	Zinc monocyanide	2Σ	C∞v
356	ZnNC	Zinc isocyanide	2Σ	C∞v
357	AlCN	Aluminum monocyanide
358	AlNC	Aluminum isocyanide
359	CNN	Diazocarbene
360	HN3	hydrogen azide	1A'	Cs
361	HN3+	Hydrazoic acid cation
362	HNCNH	diiminomethane	1A	C2
363	HNNNH+	1,2-Triazadienium
364	NH2NN+	hydrazoic acid, protonated
365	CH3CN	Acetonitrile	1A1	C3v
366	CH3CN-	acetonitrile anion	2E	C3v
367	CH3CN-	acetonitrile anion	2A'	Cs
368	CHNCH2	2H-Azirine
369	CHNHCH	1H-Azirine
370	H2CCNH	Ethenimine
371	H2CNCH	methyleneaminomethylene
372	HCCNH2	Ethynamine
373	HCNCH2+	2H-Azirine cation
374	NH2CNH+	cyanamide, cn protonated
375	NH3CN+	cyanamide, amine protonated
376	C2H6N+	aziridine, protonated	1A1	C2v
377	CH3CH2NH2	Ethylamine
378	Na2S	Sodium sulfide
379	Na2S	Sodium sulfide
380	LiO2	Lithium dioxide
381	NaO2	Sodium superoxide
382	NCO	isocyanato radical	2Π	C∞v
383	N2O	Nitrous oxide	1Σ	C∞v
384	CO2	Carbon dioxide	1Σg	D∞h
385	OCS	Carbonyl sulfide	1Σ	C∞v
386	CS2	Carbon disulfide	1Σg	D∞h
387	GeO2	Germanium dioxide	1Σg	D∞h
388	OCSe	Carbonyl selenide	1Σ	C∞v
389	SCSe	Carbon sulfide selenide
390	NO2	Nitrogen dioxide	2A1	C2v
391	NSO	sulfinyl amidogen
392	SNO	Nitrogen oxide sulfide
393	SO2	Sulfur dioxide	1A1	C2v
394	SSO	Disulfur monoxide	1A'	Cs
395	S3	Sulfur trimer	1A1	C2v
396	S3	Sulfur trimer
397	SeO2	Selenium dioxide	1A1	C2v
398	HCCO	ketenyl radical	2Π	C∞v
399	HCCO	ketenyl radical	2A"	Cs
400	HCNO	fulminic acid	1Σ	C∞v
401	HNCS	Isothiocyanic acid
402	HSCN	thiocyanic acid	1A'	Cs
403	HOCO	Hydrocarboxyl radical	1A'	cis
404	HOCO	Hydrocarboxyl radical	1A'	trans
405	O3H+	protonated ozone	1A'	Cs
406	O3H+	protonated ozone
407	C2H2O	Oxirene	1A1	C2v
408	CH2CO	Ketene	1A1	C2v
409	CH2CS	Thioketene
410	Be(OH)2	Beryllium hydroxide
411	Be(OH)2	Beryllium hydroxide
412	HCOOH	Formic acid	1A'	Cs
413	HCOOH	Formic acid
414	BH3CO	Borane carbonyl	1A1	C3v
415	CH2COH+	ketene, protonated
416	HOCHNH	hydroxymethylimine	1A'	CS H all up
417	CHSNH2	thioformamide
418	NHCHSH	Methanimidothioic acid
419	C2H4O	Ethylene oxide	1A1	C2v
420	C2H4O+	ethylene oxide cation
421	CH3CHO	Acetaldehyde	1A'	Cs
422	CH3CHO+	acetaldehyde cation
423	H2COCH2+	Methyl, (methyleneoxoniumyl)-
424	C2H4S	Thiirane	1A1	C2v
425	CH2CHSH	Ethenethiol
426	CH3CHS	Thioacetaldehyde	1A'	C1
427	NH2CHOH+	Formamide, O-protonated
428	CH3SSH	Hydrogen methyl disulfide
429	HSCH2SH	Methanedithiol
430	C2H4OH+	ethylene oxide, protonated	1A'	Cs
431	NH2CH2OH	aminomethanol
432	CH3CH2OH	Ethanol	1A'	Cs
433	CH3OCH3	Dimethyl ether	1A1	C2v
434	CH3CH2SH	ethanethiol	1A'	Cs
435	CH3CH2SH	ethanethiol	1A	C1
436	CH3SCH3	Dimethyl sulfide	1A1	C2v
437	CH3SCH3+	dimethyl sulfide cation
438	BrCN	Cyanogen bromide	1Σ	C∞v
439	FBO	Boron monofluoride monoxide
440	BeBr2	Beryllium bromide
441	CaBr2	Calcium dibromide
442	BF2	Boron difluoride radical	2A1	C2v
443	FNO	Nitrosyl fluoride	1A'	Cs
444	ClNO	Nitrosyl chloride	1A'	Cs
445	FSN	Thiazyl fluoride	1A'	Cs
446	OPCl	Phosphorus oxychloride
447	CF2	Difluoromethylene	1A1	D∞h
448	SiF2	Silicon difluoride	1A1	C2v
449	GeCl2	Germanium dichloride	1A1	C2v
450	FOO+	Fluorine dioxide cation
451	OClO	Chlorine dioxide	2B1	D∞h
452	OClO-	Chlorine dioxide anion	1A'	Cs
453	BrOO	Bromine dioxide
454	OBrO	Bromine dioxide radical	2B1	C2v
455	PF2	Phosphorus difluoride
456	PF2+	Phosphorus difluoride cation
457	SF2	sulfur difluoride	1A1	C2v
458	SeF2	Selenium difluoride
459	SeCl2	Selenium Dichloride
460	SBr2	Sulfur dibromide
461	SeBr2	Selenium dibromide
462	Br3-	tribromide anion
463	SFCl	Sulfur chloride fluoride
464	HCCF	Fluoroacetylene	1Σ	C∞v
465	CHF2	difluoromethyl radical	2A	Cs
466	CHF2+	difluoromethyl cation
467	CHFCl	Chlorofluoromethyl radical
468	CHFCl+	Chlorofluoromethyl cation
469	CHCl2+	dichloromethyl cation
470	CHBr2	dibromomethyl radical
471	NHF2	difluoramine
472	NHCl2	dichloroamine
473	CH2F2	Methane, difluoro-	1A1	C2v
474	SiH2F2	difluorosilane
475	CH2Cl2	Methylene chloride	1A1	C2v
476	CH2BrCl	Methane, bromochloro-	1A'	Cs
477	CH2Br2	dibromomethane	1A1	C2v
478	CH3MgBr	Methyl Magnesium Bromide
479	CH2CHF	Ethene, fluoro-	1A'	Cs
480	CH2FOH	fluoromethanol
481	C2H5Br	Ethyl bromide	1A'	Cs
482	C4	Carbon tetramer	3Σg	D∞h
483	C4	Carbon tetramer
484	C4H2+	diacetlyene cation	2Πg	D∞h
485	C4H4	Tetrahedrane
486	C4H6	1-Methylcyclopropene	1A	C1
487	CH2CHCH2CH3	1-Butene	1A	C1
488	CH3CH2CH2CH3	Butane	1Ag	Anti
489	As4	Arsenic tetramer	1A1	Td
490	H2CNCN	cyanamide, methylene
491	HNCCNH	Ethenediimine
492	C2H5CN	ethyl cyanide	1A'	Cs
493	H2NCHCHNH2	diaminoethylene
494	N(SiH3)3	trisilylamine
495	K2O2	dipotassium dioxide
496	ONNO	NO dimer	1Ag	trans C2H
497	ONNO	NO dimer	1A1	cis C2V
498	CS3--	Carbonotrithioate
499	SO3	Sulfur trioxide	1A1'	D3h
500	SO3--	Sulfate dianion
501	S4	Sulfur tetramer
502	S4	Sulfur tetramer
503	S4	Sulfur tetramer
504	HNO3	Nitric acid	1A'	Cs
505	C3H2O	Propadienal
506	C3H2O	Propadienal
507	C2H2O2	Ethanedial	1Ag	C2h
508	C2H3NO	Nitrosoethylene
509	CH3NCO	methylisocyante
510	HOCH2CN	cyanomethanol
511	CH3NO2	Methane, nitro-	1A'	Cs
512	H3AlO3	Aluminum hydroxide
513	CH2CHCHO	Acrolein	1A'	Cs
514	CH2CHCHO	Acrolein
515	CH2C(OH)NH2	1-amino vinyl alchohol
516	CH3C(OH)=NH	Ethaninidic acid
517	CH3CSNH2	Ethanethioamide
518	CH3CH2CHO	Propanal	1A'	Cs
519	CH3COCH3	Acetone	1A1	C2v
520	CH3SOCH3	Dimethyl sulfoxide	1A'	Cs
521	C3H7OH	1-Propanol
522	Li2F2	Lithium fluoride dimer
523	CF2O	Carbonic difluoride	1A1	C2v
524	CF2O+	Carbonic difluoride cation
525	BF3	Borane, trifluoro-	1A'	D3h
526	BF3+	boron trifluoride cation
527	AlF3	Aluminum trifluoride	1A1'	D3h
528	BClF2	Chlorodifluoroborane
529	BCl3	Borane, trichloro-	1A1'	D3h
530	BCl3+	Boron Trichloride cation
531	GaF3	Gallium trifluoride	1A1'	D3h
532	GaCl3	Gallium trichloride	1A1'	D3h
533	CF2Cl	difluorochloromethyl radical
534	CFCl2	dichlorofluoromethyl radical
535	CBr3	tribromomethyl radical
536	SSCl2	Thiothionyl chloride
537	NF3	Nitrogen trifluoride	1A1	C3v
538	NCl3	nitrogen trichloride	1A1	C3v
539	NBr3	Nitrogen Tribromide	1A1	C3v
540	HClO3	Chloric Acid	1A'	Cs
541	HClO3	Chloric Acid	1A	C1
542	CHF3	Methane, trifluoro-	1A1	C3v
543	SiHF3	trifluorosilane
544	CHCl3	Chloroform	1A1	C3v
545	CHBrF2	Methane, bromodifluoro-	1A'	Cs
546	CHFClBr	fluorochlorobromomethane	1A	C1
547	CHBrCl2	Methane, bromodichloro-	1A'	Cs
548	CHBr2F	dibromofluoromethane
549	AsF3H+	Arsenic trifluoride, protonated
550	CHBrCHBr	Ethene, 1,2-dibromo-, (E)-
551	CHBrCHBr	Ethene, 1,2-dibromo-, (Z)-
552	C2H4F2	1,2-difluoroethane	1Ag	C2H anti
553	C2H4F2	1,2-difluoroethane	1A	C2 gauche
554	CH3CHF2	Ethane, 1,1-difluoro-	1A'	Cs
555	CH2BrCH2Cl	1-bromo-2-chloroethane
556	CH2BrCH2Cl	1-bromo-2-chloroethane
557	CH2BrCH2Br	Ethane, 1,2-dibromo-	1Ag	C2h
558	CH2BrCH2Br	Ethane, 1,2-dibromo-	1A	C2
559	CH2CHCH2F	Allyl Fluoride
560	CH2CHCH2F	Allyl Fluoride
561	CH3CHCHF	trans-1-Fluoro-1-propene
562	CH2FCH2OH	2-fluoroethanol
563	CH2FCH2CH3	1-Fluoropropane
564	CH3CHFCH3	2-Fluoropropane	1A'	Cs
565	CH3CHClCH3	Propane, 2-chloro-	1A'	Cs
566	B5H9	pentaborane9
567	C5H4	pentatetraene
568	C5H8	Bicyclo[1.1.1]pentane
569	C4H5N	Pyrrole	1A1	C2v
570	C3O2	Carbon suboxide	1ΣG	D∞h
571	B2O3	diboron trioxide
572	B2O3	diboron trioxide
573	CHOOCHO	diformyl ether
574	C3H3NO	Isoxazole	1A'	Cs
575	C3H3NS	Thiazole
576	C4H4O	Furan	1A1	C2
577	C4H4Se	selenophene
578	HCOOC2H5	Ethyl formate	1A'	Cs
579	C2H6O2S	Dimethyl sulfone	1A1	C2v
580	C4H8S	Thiophene, tetrahydro-	1A	C1
581	C4H10O	Ethoxy ethane	1A1	C2v
582	C4H10O	Methyl propyl ether	1A	C1
583	C4H9SH	1-Butanethiol
584	CF3Cl	Methane, chlorotrifluoro-	1A1	C3v
585	CF2Cl2	difluorodichloromethane	1A1	C2v
586	CF3Br	Bromotrifluoromethane	1A1	C3v
587	GeF4	Germanium tetrafluoride	1A1	Td
588	CCl4	Carbon tetrachloride	1A1	Td
589	CBrCl2F	bromodichlorofluoromethane
590	CBr2ClF	dibromochlorofluoromethane
591	CBr2Cl2	dibromodichloromethane	1A1	C2v
592	CBr3Cl	tribromochloromethane	1A1	C3v
593	CBr4	Carbon tetrabromide	1A1	Td
594	GeBr4	Germanium tetrabromide
595	SF4	Sulfur tetrafluoride	1A1	C2v
596	SeF4	Selenium tetrafluoride
597	SCl4	Sulfur tetrachloride
598	CH2ClCCCl	1,3-dichloropropyne
599	CHCl2CCH	3,3-dichloropropyne
600	CHCl2CHO	dichloroacetaldehyde
601	CHF2CH2F	Ethane, 1,1,2-trifluoro	1A	C1
602	CHF2CH2F	Ethane, 1,1,2-trifluoro	1A'	Cs
603	CH2CClCHCH2	1,3-Butadiene, 2-chloro-
604	CH2FCH2CH2F	1,3-difluoropropane
605	CH3CCl2CH3	Propane, 2,2-dichloro-	1A1	C2v
606	C2H2N2O	Furazan
607	C6H6	Prismane
608	C6H6	1,2,4,5-Hexatetraene	1Ag	C2h
609	C6H6	Benzene	1A1g	D6h
610	C6H6	Dewar Benzene
611	N3P3	1,3,5,2,4,6-Triazatriphosphorine
612	N2O4	Dinitrogen tetroxide	1Ag	D2d
613	C3H2O3	vinylene carbonate
614	C5H6O	2H-Pyran
615	C5H6O	Pentadienal
616	C4H6O2	γ–Butyrolactone	1A	C1
617	C3H6O3	1,3,5-Trioxane	1A1	C1
618	C4H8O2	Ethyl acetate	1A'	Cs
619	C5H10O	3-Pentanone	1A1	C2v
620	C4F2	difluorobutadiyne
621	C2ClF3	Ethene, chlorotrifluoro-
622	C2Br4	tetrabromoethene
623	SiF5-	silicon pentafluoride anion
624	PF5	Phosphorus pentafluoride	1A1'	D3h
625	CH2ClCCl3	1,1,1,2-tetrachloroethane
626	CHCl2CHCl2	Ethane, 1,1,2,2-tetrachloro-
627	CH2BrCBr3	1,1,1,2-tetrabromo ethane
628	CH(CN)3	tricyanomethane
629	HN=C=C(CN)2	Dicyanoketenimine
630	C5H4O2	furfural	1A'	OCCO cis
631	C5H4O2	furfural	1A'	OCCO trans
632	C6H12O	Oxepane
633	SF6	Sulfur Hexafluoride	1A1G	Oh
634	C8H8	cubane	1A1G	Oh
635	C6H5CHO	benzaldehyde	1A'	Cs
636	C2Cl6	hexachloroethane	1A1g	D3d
637	C6H4F2	1,4-difluorobenzene	1Ag	D2h
638	C3F6	hexafluoropropene
639	C8H18O	1-Octanol
640	C10H10	bullvalene
641	B12H12--	Dodecahydrododecaborate(2-)
642	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	H+	Hydrogen atom cation	h+
6	D2	Deuterium diatomic	d2
7	H2-	hydrogen diatomic anion	h2-
8	H2+	Hydrogen cation	h2+
9	HD	Deuterium hydride	hd
10	H3+	hydrogen trimer cation	h3+
11	He-	Helium atom anion	he-
12	HeH	Helium hydride	heh
13	Li-	Lithium atom anion	li-
14	Na-	Sodium atom anion	na-
15	K-	Potassium atom anion	k-
16	K+	Potassium atom cation	k+
17	Cu	Copper atom	cu
18	Cu-	Copper atom anion	cu-
19	Cu+	Copper atom cation	cu+
20	LiH-	lithium hydride anion	lih-
21	LiH+	lithium hydride cation	lih+
22	NaH	sodium hydride	nah
23	NaH-	sodium hydride anion	nah-
24	NaH+	sodium hydride cation	nah+
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	ca
30	Ca-	Calcium atom anion	ca-
31	Ca+	Calcium atom cation	ca+
32	Zn	Zinc atom	zn
33	Zn-	Zinc atom anion	zn-
34	Zn+	Zinc atom cation	zn+
35	BeH	beryllium monohydride	beh
36	BeH-	berylium monohydride anion	beh-
37	BeH+	beryllium monohydride cation	beh+
38	MgH-	magnesium monohydride anion	mgh-
39	MgH+	magnesium monohydride cation	mgh+
40	CaH	Calcium monohydride	cah
41	CaH+	Calcium monohydride cation	cah+
42	TiH	Titanium monohydride	tih
43	ZnH	Zinc monohydride	znh
44	BeH2	beryllium dihydride	beh2
45	MgH2	magnesium dihydride	mgh2
46	CaH2	Calcium Hydride	cah2
47	ZnH2	Zinc hydride	znh2
48	B-	Boron atom anion	b-
49	Sc	Scandium atom	sc
50	Sc+	Scandium cation	sc+
51	BH	Boron monohydride	bh
52	BH-	boron monohydride anion	bh-
53	BH+	boron monohydride cation	bh+
54	AlH	aluminum monohydride	alh
55	AlH-	aluminum monohydride anion	alh-
56	AlH+	aluminum monohydride cation	alh+
57	ScH	Scandium monohydride	sch
58	ScH+	Scandium monohydride cation	sch+
59	BH2	boron dihydride	bh2
60	BH2-	boron dihydride anion	bh2-
61	BH2+	Boron dihydride cation	bh2+
62	AlH2	aluminum dihydride	alh2
63	AlH2-	aluminum dihydride anion	alh2-
64	AlH2+	aluminum dihydride cation	alh2+
65	BH3	boron trihydride	bh3
66	BH3-	boron trihydride anion	bh3-
67	AlH3	aluminum trihydride	alh3
68	AlH3+	aluminum trihydride cation	alh3+
69	ScH3	Scandium trihydride	sch3
70	GaH3	Gallium trihydride	gah3
71	BH4	borohydride	bh4
72	AlH4-	Aluminum tetrahydride anion	alh4-
73	C-	Carbon atom anion	c-
74	Ti	Titanium atom	ti
75	Ti-	Titanium atom anion	ti-
76	Ti+	Titanium atom cation	ti+
77	Sn	Tin atom	sn
78	Sn+	Tin cation	sn+
79	CH-	methylidyne anion	ch-
80	CH+	Methylidyne cation	ch+
81	SiH-	silicon monohydride anion	sih-
82	SiH+	silicon monohydride cation	sih+
83	GeH+	Germaniun monohyrdide cation	geh+
84	CH2	Methylene	ch2
85	CH2+	methylene cation	ch2+
86	SiH2	silicon dihydride	sih2
87	SiH2-	silicon dihydride anion	sih2-
88	SiH2+	silicon dihydride cation	sih2+
89	GeH2-	germylene anion	geh2-
90	CH3-	methyl anion	ch3-
91	CH3+	methyl cation	ch3+
92	SiH3-	Silyl anion	sih3-
93	CD4	methane-d4	cd4
94	CH2D2	methane-d2	ch2d2
95	CH3D	methane-d	ch3d
96	CH4-	Methane anion	ch4-
97	CH4+	Methane cation	ch4+
98	CHD3	methane-d3	chd3
99	SiH4+	Silane cation	sih4+
100	SnH4	Stannane	snh4
101	N-	Nitrogen atom anion	n-
102	P-	Phosphorus atom anion	p-
103	P+	Phosphorus atom cation	p+
104	V	Vanadium atom	v
105	V+	Vanadium atom cation	v+
106	Sb	Antimony atom	sb
107	NH	Imidogen	nh
108	NH-	Imidogen anion	nh-
109	NH+	imidogen cation	nh+
110	PH-	phosphorus monohydride anion	ph-
111	PH+	phosphorus monohydride cation	ph+
112	AsH+	Arsenic monohydride cation	ash+
113	SbH	Antimony monohydride	sbh
114	ND2	Amidogen-d2	nd2
115	NH2-	amino anion	nh2-
116	PH2	Phosphino radical	ph2
117	PH2-	Phosphino anion	ph2-
118	PH2+	Phosphino cation	ph2+
119	AsH2	Arsenic dihydride	ash2
120	AsH2+	Arsenic dihydride cation	ash2+
121	ND3	Ammonia-d3	nd3
122	NH3-	Ammonia anion	nh3-
123	NH3+	ammonia cation	nh3+
124	SbH3	Stibine	sbh3
125	NH4+	ammonium cation	nh4+
126	PH4+	phosphonium cation	ph4+
127	O-	Oxygen atom anion	o-
128	S-	Sulfur atom anion	s-
129	S+	Sulfur atom cation	s+
130	Cr	Chromium atom	cr
131	Te	Tellurium atom	te
132	Te+	Tellurium atom cation	te+
133	DO	Hydroxyl-d	od
134	OH-	hydroxide anion	oh-
135	DS	Mercapto-d	ds
136	HS	Mercapto radical	hs
137	CrH+	Chromium hydride cation	crh+
138	TeH	Telluryl radical	teh
139	D2O	Deuterium oxide	d2o
140	D2S	Hydrogen sulfide-d2	d2s
141	H2S-	Hydrogen sulfide anion	h2s-
142	H2S+	Hydrogen sulfide cation	h2s+
143	H2Te	Hydrogen Telluride	h2te
144	H3O+	hydronium cation	h3o+
145	F-	Fluorine atom anion	f-
146	Cl-	Chlorine atom anion	cl-
147	Mn	Manganese atom	mn
148	I	Iodine atom	iodine
149	I-	Iodine atom anion	iodine-
150	I+	Iodine atom cation	iodine+
151	DF	Hydrofluoric acid-d	df
152	DCl	Hydrochloric acid-d	dcl
153	HI	Hydrogen iodide	hi
154	HI+	Hydrogen iodide cation	hi+
155	H2F+	dihydrogen fluoride cation	h2f+
156	H2I+	Iodonium	h2i+
157	Ne-	Neon atom anion	ne-
158	Ar-	Argon atom anion	ar-
159	Ar+	Argon atom cation	ar+
160	Fe	Iron atom	fe
161	Xe	Xenon atom	xe
162	NeH	neon hydrogen	neh
163	NeH+	neon hydrogen cation	neh+
164	XeH+	Xenon, protonated	xeh+
165	H2Ar	H2 Ar dimer	h2ar
166	Co	Cobalt atom	cobalt
167	Ni	Nickel atom	ni
168	Li2	Lithium diatomic	li2
169	Li2-	lithium diatomic anion	li2-
170	Li2+	lithium diatomic cation	li2+
171	NaLi-	lithium sodium anion	lina-
172	NaLi+	lithium sodium cation	lina+
173	LiK	Lithium Potassium	lik
174	Na2+	sodium diatomic cation	na2+
175	NaK	Sodium Potassium	nak
176	NaK+	Sodium Potassium diatomic cation	nak+
177	K2	Potassium diatomic	k2
178	Cu2	Copper diatomic	cu2
179	LiBe	Lithium Beryllium	libe
180	LiMg	Lithium magnesium	limg
181	NaBe	Sodium Beryllium	nabe
182	NaMg	Sodium Magnesium	namg
183	Be2	Beryllium diatomic	be2
184	Be2-	Beryllium diatomic anion	be2-
185	Be2+	Beryllium diatomic cation	be2+
186	BeMg	Beryllium Magnesium	bemg
187	Mg2	Magnesium diatomic	mg2
188	Mg2-	magnesium diatomic anion	mg2-
189	Mg2+	magnesium diatomic cation	mg2+
190	Ca2	Calcium diatomic	ca2
191	LiB	Lithium boride	lib
192	NaAl	Sodium aluminum	naal
193	BeB	Beryllium monoboride	beb
194	B2	Boron diatomic	b2
195	B2-	Boron diatomic anion	b2-
196	B2+	Boron diatomic cation	b2+
197	BAl	Boron Aluminum	bal
198	Al2	Aluminum diatomic	al2
199	Al2-	aluminum diatomic anion	al2-
200	Al2+	aluminum diatomic cation	al2+
201	BGa	Boron Gallium	bga
202	AlGa	Aluminum Gallium	alga
203	Ga2	Gallium diatomic	ga2
204	LiBH4	Lithium borohydride	libh4
205	HBHHBH	Diborane(4) C2V	hbhhbh
206	Al2H6	dialane	al2h6
207	Ga2H6	digallane	ga2h6
208	LiC	Lithium Carbide	lic
209	BeC	Beryllium Carbide	bec
210	BC	boron monocarbide	bc
211	BC-	boron monocarbide anion	bc-
212	BC+	boron monocarbide cation	bc+
213	AlC	Aluminum carbide	alc
214	C2	Carbon diatomic	c2
215	C2-	carbon diatomic anion	c2-
216	C2+	carbon diatomic cation	c2+
217	SiC	silicon monocarbide	sic
218	SiC-	silicon monocarbide anion	sic-
219	SiC+	silicon monocarbide cation	sic+
220	Si2	Silicon diatomic	si2
221	Si2-	silcon diatomic anion	si2-
222	Si2+	silcon diatomic cation	si2+
223	Ge2	Germanium diatomic	ge2
224	C2H	Ethynyl radical	c2h
225	C2H+	Ethynyl cation	c2h+
226	ZnCH2	Zinc methylene	znch2
227	CCH2	vinylidene	vinylidene
228	CuCH3	monomethyl copper	cuch3
229	ZnCH3	Zinc monomethyl	znch3
230	CH2BH	methyleneborane	ch2bh
231	C2H3-	vinyl anion	c2h3-
232	C2H4-	Ethylene anion	c2h4-
233	C2H4+	Ethylene cation	c2h4+
234	CH3CH	methylmethylene	ch3ch
235	CH2SiH2	silaethylene	ch2sih2
236	CH3BH2	methylborane	ch3bh2
237	C2H5-	Ethyl anion	c2h5-
238	C2H5+	Ethyl cation	c2h5+
239	C2H6+	ethane cation	c2h6+
240	CH3SiH3	methyl silane	ch3sih3
241	GeH3CH3	methyl germane	geh3ch3
242	C2H7+	Ethane, protonated	c2h7+
243	LiN+	Lithium Nitride cation	lin+
244	BeN	Beryllium mononitride	ben
245	BeN-	Beryllium mononitride anion	ben-
246	BeN+	Beryllium mononitride cation	ben+
247	BN-	boron nitride anion	bn-
248	AlN-	aluminum mononitride anion	aln-
249	AlN+	aluminum mononitride cation	aln+
250	BP	Boron monophosphide	bp
251	AlP	Aluminum monophosphide	alp
252	GaN	Gallium mononitride	gan
253	GaP	Gallium monophosphide	gap
254	BN	boron nitride	bn
255	BN+	boron nitride cation	bn+
256	AlN	Aluminum nitride	aln
257	CN-	cyanide anion	cn-
258	CN+	Cyano cation	cn+
259	CP	Carbon monophosphide	cp
260	CP-	carbon monophosphide anion	cp-
261	CP+	carbon monophosphide cation	cp+
262	SiN	Silicon nitride	sin
263	SiN-	silicon mononitride anion	sin-
264	SiN+	silicon mononitride cation	sin+
265	SiP-	Silicon monophosphide anion	sip-
266	SiP+	Silicon monophosphide cation	sip+
267	TiN	Titanium mononitride	tin
268	N2-	nitrogen diatomic anion	n2-
269	N2+	diatomic nitrogen cation	n2+
270	PN-	phosphorus nitride anion	pn-
271	PN+	phosphorus nitride cation	pn+
272	P2	Phosphorus diatomic	p2
273	P2-	phosphorus diatomic anion	p2-
274	P2+	phosphorus diatomic cation	p2+
275	AsN	Arsenic mononitride	asn
276	AsP	Arsenic monophosphide	asp
277	SbN	Antimony nitride	sbn
278	As2	Arsenic diatomic	as2
279	HNB	hydrogen nitrogen boron	hnb
280	HNC	hydrogen isocyanide	hnc
281	HCN-	Hydrogen cyanide anion	hcn-
282	HCP	Phosphaethyne	hcp
283	NNH	Dinitrogen monohydride	nnh
284	HPO	Hydrogen phosphorus oxide	hpo
285	HPO+	Hydrogen phosphorus oxide cation	hpo+
286	CNH2	Aminomethylidyne radical	cnh2
287	CNH2+	N-protonated hydrogen isocyanide	cnh2+
288	H2CN	Dihydrogen cyanide radical	h2cn
289	H2CN+	hydrocyanonium cation	h2cn+
290	HCNH	methyleneazane	hcnh
291	HCNH+	N-protonated HCN	hcnh+
292	N2H2	(E)-diazene	n2h2
293	N2H2	(Z)-Diazene	n2h2z
294	N2H2+	trans-diazene cation	n2h2+
295	CH2PH	Phosphaethene	ch3p
296	CH2NH2+	methyleneamine cation	ch2nh2+
297	N2H4	Hydrazine	n2h4
298	N2H4+	hydrazine cation	n2h4+
299	P2H4	Diphosphine	p2h4
300	CH3NH2+	methyl amine cation	ch3nh2+
301	CH3PH2	Methyl phosphine	ch3ph2
302	N2H5+	protonated hydrazine	n2h5+
303	CH3NH3+	protonated methylamine	ch3nh3+
304	CH3PH3+	methyl phosphine, protonated	ch3ph3+
305	NH3NH3	Ammonia Dimer	nh3nh3
306	LiO	lithium oxide	lio
307	LiO-	lithium oxide anion	lio-
308	LiO+	lithium oxide cation	lio+
309	LiS	Lithium monosulfide	lis
310	LiS+	Lithium sulfide cation	lis+
311	NaO	sodium monoxide	nao
312	NaO-	sodium oxide anion	nao-
313	NaO+	sodium oxide cation	nao+
314	KO	Potassium monoxide	ko
315	KO+	Potassium monoxide cation	ko+
316	NaS	Sodium sulfide	nas
317	CuO	Copper Monoxide	cuo
318	BeO	beryllium oxide	beo
319	BeO-	Beryllium monoxide anion	beo-
320	BeO+	Beryllium monoxide cation	beo+
321	BeS	beryllium sulfide	bes
322	MgO	magnesium oxide	mgo
323	MgO-	magnesium oxide anion	mgo-
324	MgO+	magnesium oxide cation	mgo+
325	MgS	magnesium sulfide	mgs
326	MgS-	magnesium sulfide anion	mgs-
327	MgS+	magnesium sulfide cation	mgs+
328	ZnO	zinc monoxide	zno
329	ZnS	Zinc sulfide	zns
330	BeS-	Beryllium monosulfide anion	bes-
331	BeS+	Beryllium monosulfide cation	bes+
332	BO-	boron monoxide anion	bo-
333	AlO	Aluminum monoxide	alo
334	AlO-	Aluminum monoxide anion	alo-
335	AlO+	aluminum monoxide cation	alo+
336	BS	boron sulfide	bs
337	BS-	boron monosulfide anion	bs-
338	BS+	boron monosulfide cation	bs+
339	AlS	Aluminum sulfide	als
340	AlS-	aluminum monosulfide anion	als-
341	AlS+	aluminum monosulfide cation	als+
342	ScO	Scandium monoxide	sco
343	BO+	boron monoxide cation	bo+
344	CO-	carbon monoxide anion	co-
345	CS	carbon monosulfide	cs
346	CS-	carbon monosulfide anion	cs-
347	CS+	carbon monosulfide cation	cs+
348	SiO-	silicon monoxide anion	sio-
349	SiO+	silicon monoxide cation	sio+
350	SiS-	silicon monosulfide anion	sis-
351	SiS+	silicon monosulfide cation	sis+
352	TiO	Titanium monoxide	tio
353	CSe-	Carbon monoselenide anion	cse-
354	CSe+	Carbon monoselenide cation	cse+
355	GeO+	Germanium monoxide cation	geo+
356	GeS	Germanium monosulfide	ges
357	NS	Mononitrogen monosulfide	ns
358	NS-	nitrogen sulfide anion	ns-
359	NS+	nitrogen sulfide cation	ns+
360	PO	Phosphorus monoxide	po
361	PO-	phosphorus monoxide anion	po-
362	PO+	phosphorus monoxide cation	po+
363	PS-	phosphorus monosulfide anion	ps-
364	PS+	phosphorus monosulfide cation	ps+
365	VO	Vanadium monoxide	vo
366	AsO	Arsenic monoxide	aso
367	NSe	Nitrogen monoselenide	nse
368	AsS	Arsenic monosulfide	ass
369	PSe	Phosphorus monoselenide	pse
370	AsSe	Arsenic monoselenide	asse
371	O2-	oxygen diatomic anion	o2-
372	O2+	diatomic oxygen cation	o2+
373	SO-	sulfur monoxide anion	so-
374	S2-	sulfur diatomic anion	s2-
375	S2+	sulfur diatomic cation	s2+
376	SeO-	selenium monoxide anion	seo-
377	SeO+	selenium monoxide cation	seo+
378	SeS	Selenium monosulfide	ses
379	SeS-	selenium monosulfide anion	ses-
380	SeS+	selenium monosulfide cation	ses+
381	TeO	Tellurium monoxide	teo
382	Se2-	selenium diatomic anion	se2-
383	Se2+	selenium diatomic cation	se2+
384	Te2	Tellurium diatomic	te2
385	NaOH	sodium hydroxide	naoh
386	MgOH	magnesium hydroxide	mgoh
387	CaOH	Calcium monohydroxide	caoh
388	COH+	Carbon Monoxide, protonated	coh+
389	HCS	Thioformyl radical	hcs
390	HCS-	Thioformyl anion	hcs-
391	HCS+	Thioformyl cation	hcs+
392	HNO-	Nitrosyl hydride anion	hno-
393	NOH	Hydroxyimidogen	noh
394	NOH+	O-protonated nitric oxide	noh+
395	HNS	Sulfur imide	hns
396	HNS-	Sulfur imide anion	hns-
397	HO2	Hydroperoxy radical	ho2
398	HO2-	Hydroperoxy anion	ho2-
399	HO2+	Hydroperoxy cation	ho2+
400	HS2	Thiosulfeno radical	hs2
401	HOCH	hydroxycarbene	hoch
402	H2CS+	thioformaldehyde cation	h2cs+
403	H2NO	nitroxide	h2no
404	H2O2+	Hydrogen peroxide cation	h2o2+
405	H2S2	Disulfane	h2s2
406	H2S2+	hydrogen disulfide cation	h2s2+
407	CH2OH	Hydroxymethyl radical	ch2oh
408	CH2OH+	hydroxymethyl cation	ch2oh+
409	CH3O	Methoxy radical	ch3o
410	CH3O-	methoxy anion	ch3o-
411	CH3O+	Methoxy cation	ch3o+
412	CH3S	thiomethoxy	ch3s
413	H2CSH+	Thioformaldehyde, protonated	h2csh+
414	NH3O	Ammonia Oxide	nh3o
415	H2POH	Phosphinous acid	h2poh
416	H3PO	Phosphine oxide	h3po
417	H3O2+	hydrogen peroxide, protonated	h3o2+
418	CH3OH-	Methyl alcohol anion	ch3oh-
419	CH3SH+	Methanethiol cation	ch3sh+
420	CH3SeH	Methane selenol	ch3seh
421	H2OH2O	water dimer	h2oh2o
422	CH3OH2+	Methanol, protonated	ch3oh2+
423	CH3SH2+	protonated methylsulfide	ch3sh2+
424	H2ONH3	Water Ammonia Dimer	h2onh3
425	LiCl-	lithium chloride anion	licl-
426	LiCl+	lithium chloride cation	licl+
427	NaF	sodium fluoride	naf
428	NaF-	sodium fluoride anion	naf-
429	KF	Potassium Fluoride	kf
430	NaCl	Sodium Chloride	nacl
431	NaCl-	sodium chloride anion	nacl-
432	NaCl+	sodium chloride cation	nacl+
433	KCl	Potassium Chloride	kcl
434	CuF	Copper monofluoride	cuf
435	LiBr-	lithium bromide anion	libr-
436	LiBr+	lithium bromide cation	libr+
437	CuCl	Copper monochloride	cucl
438	NaBr	Sodium Bromide	nabr
439	NaBr-	sodium bromide anion	nabr-
440	NaBr+	sodium bromide cation	nabr+
441	KBr	Potassium Bromide	kbr
442	LiI	Lithium Iodide	lii
443	NaI	Sodium Iodide	nai
444	KI	Potassium Iodide	ki
445	LiF-	lithium fluoride anion	lif-
446	BeF	Beryllium monofluoride	bef
447	BeF-	Beryllium monofluoride anion	bef-
448	BeF+	Beryllium monofluoride cation	bef+
449	BeCl	beryllium monochloride	becl
450	MgF	Magnesium monofluoride	mgf
451	MgF-	magnesium fluoride anion	mgf-
452	MgF+	magnesium fluoride cation	mgf+
453	CaF	Calcium monofluoride	caf
454	MgCl	magnesium monochloride	mgcl
455	MgCl-	magnesium monochloride anion	mgcl-
456	MgCl+	magnesium monochloride cation	mgcl+
457	CaCl	calcium monochloride	cacl
458	TiCl	Titanium Monochloride	ticl
459	ZnF	Zinc monofluoride	znf
460	ZnF-	Zinc monofluoride anion	znf-
461	ZnF+	Zinc monofluoride cation	znf+
462	ZnCl	Zinc monochloride	zncl
463	BeCl-	beryllium monochloride anion	becl-
464	BeCl+	beryllium monochloride cation	becl+
465	BF-	Boron monofluoride anion	bf-
466	BF+	Boron monofluoride cation	bf+
467	AlF-	Aluminum monofluoride anion	alf-
468	AlF+	Aluminum monofluoride cation	alf+
469	BCl	boron monochloride	bcl
470	BCl-	boron monochloride anion	bcl-
471	BCl+	boron monochloride cation	bcl+
472	AlCl	Aluminum monochloride	alcl
473	AlCl-	aluminum monochloride anion	alcl-
474	AlCl+	aluminum monochloride cation	alcl+
475	ScF	Scandium monofluoride	scf
476	BBr	Boron monobromide	bbr
477	GaF+	Gallium monofluoride cation	gaf+
478	GaCl+	Gallium monochloride cation	gacl+
479	AlI	Aluminum monoiodide	ali
480	CF-	carbon monofluoride anion	cf-
481	CF+	carbon monofluoride cation	cf+
482	CCl	carbon monochloride	ccl
483	CCl-	carbon monochloride anion	ccl-
484	CCl+	carbon monochloride cation	ccl+
485	SiF	silicon monofluoride	sif
486	SiF-	silicon monofluoride anion	sif-
487	SiF+	silicon monofluoride cation	sif+
488	SiCl-	silicon monochloride anion	sicl-
489	SiCl+	silicon monochloride cation	sicl+
490	GeF+	Germanium monofluoride cation	gef+
491	NF	nitrogen fluoride	nf
492	NF-	nitrogen monofluorine anion	nf-
493	NF+	nitrogen monofluoirde cation	nf+
494	NCl-	nitrogen monochloride anion	ncl-
495	NCl+	nitrogen monochloride cation	ncl+
496	PF	phosphorus monofluoride	pf
497	PF-	phosphorus monofluoride anion	pf-
498	PF+	phosphorus monofluoride cation	pf+
499	PCl	phosphorus chloride	pcl
500	PCl-	phosphorus monochloride anion	pcl-
501	PCl+	phosphorus monochloride cation	pcl+
502	AsF	Arsenic monofluoride	asf
503	NBr	nitrogen monobromide	nbr
504	AsCl	Arsenic monochloride	ascl
505	SbF	Antimony monofluoride	sbf
506	SbCl	Antimony monochloride	sbcl
507	FO	Oxygen monofluoride	fo
508	FO-	flourine oxide anion	fo-
509	FO+	fluorine monoxide cation	fo+
510	ClO-	chlorine monoxide anion	clo-
511	SF-	sulfur monofluoride anion	sf-
512	SCl	sulfur monochloride	scl
513	SCl-	sulfur monochloride anion	scl-
514	BrO-	Bromine monoxide anion	bro-
515	SeF	Selenium monofluoride	sef
516	SeCl	Selenium monochloride	secl
517	IO	Iodine monoxide	io
518	F2-	flourine diatomic anion	f2-
519	ClF-	clorine monofluoride anion	clf-
520	Cl2-	chlorine diatomic anion	cl2-
521	BrF-	bromine fluoride anion	brf-
522	BrF+	bromine fluoride cation	brf+
523	BrCl-	bromine chloride anion	brcl-
524	BrCl+	bromine chloride cation	brcl+
525	IF	Iodine monofluoride	if
526	ICl	Iodine monochloride	icl
527	IBr	Iodine monobromide	ibr
528	I2	Iodine diatomic	i2
529	I2+	Iodine diatomic cation	i2+
530	HCCl	Chloromethylene	hccl
531	CHBr	bromomethylene	chbr
532	DOCl	Hypochlorous acid-d	docl
533	HOBr	Hypobromous acid	hobr
534	HOBr+	Hypobromous acid cation	hobr+
535	HOI	Hypoiodous acid	hoi
536	FHF	Hydrogen difluoride	fhf
537	FHF-	Hydrogen difluoride anion	fhf-
538	NH2F	monofluoroamine	nh2f
539	H2F2	Hydrogen fluoride dimer	h2f2
540	CD3F	methylfluoride-d3	cd3f
541	CD3Cl	methyl chloride d3	cd3cl
542	SiH3Br	bromosilane	sih3br
543	CH3I	methyl iodide	ch3i
544	SiH3I	Silyl Iodide	sih3i
545	Ne2	Neon diatomic	ne2
546	Ne2+	Neon diatomic cation	ne2+
547	Ar2+	Argon diatomic cation	ar2+
548	Li3	Lithium trimer	li3
549	Li3+	Lithium trimer cation	li3+
550	C3+	carbon trimer cation	c3+
551	C3H3	cyclopropenyl radical	cpr
552	C3H3	Propargyl radical	propargyl
553	C3H3-	Propargyl anion	c3h3-
554	C3H3+	cyclopropenyl cation	cpr+
555	C3H3+	Propargyl cation	c3h3+
556	C3H5+	Allyl cation	allyl+
557	CH3CHCH	1-propenyl radical	ch3chch
558	Zn(CH3)2	dimethyl zinc	dmz
559	C3H7+	cyclopropane, protonated	c3h7+
560	CH3CHCH3+	Isopropyl cation	prop2yl+
561	SiH2(CH3)2	dimethylsilane	dms
562	LiCN	lithium cyanide	licn
563	NaCN	Sodium Cyanide	nacn
564	KCN	Potassium cyanide	kcn
565	CuCN	Copper cyanide	cucn
566	CN2	3H-Diazirin-3-ylidene	cn2
567	NCN	Cyanoimidogen	ncn
568	N3	azide radical	n3
569	N3-	azide anion	n3-
570	N3+	azide cation	n3+
571	HCCN	cyanomethylene	hccn
572	HCNN	diazomethyl radical	hcnn
573	CH2N2	diazirine	ch2n2
574	CH2NN	diazomethane	ch2nn
575	NH2CN	cyanamide	cyanamide
576	CH3CN+	Acetonitrile cation	ch3cn+
577	CH3NC	methyl isocyanide	ch3nc
578	HNCNH2+	diiminomethane, protonated	hncnh2+
579	NCNH3+	Cyanamide, protonated	ncnh3+
580	CH2CHNH	vinylazine	ch2chnh
581	CH3CHN	methylmethaniminyl radical	ch3chn
582	NHCHNH2	aminomethanimine	cn2h4
583	C2H5N	Aziridine	c2h5n
584	CH2CHNH2	aminoethene	aminoethene
585	CH2NCH3	N-methylmethanimine	nmm
586	CH3CHNH	ethanimine	ethanimine
587	NH2BHNH2	diaminoborane	nh2bhnh2
588	C2H5NH+	Protonated Aziridine	c2h5nh+
589	NH2CH2NH2	diaminomethane	nh2ch2nh2
590	CH3NHCH3	Dimethylamine	ch3nhch3
591	CH3PHCH3	dimethylphosphine	ch3phch3
592	NH2CH2NH3+	diaminoethane, protonated	pdam
593	(CH3)2NH2+	dimethylammonium cation	dmam
594	CH3CH2NH3+	ethylamine, protonated	pea
595	Li2O	dilithium oxide	li2o
596	Li2O+	dilithium oxide cation	li2o+
597	Li2S	dilithium sulfide	li2s
598	Na2O	disodium monoxide	na2o
599	CCO	Dicarbon monoxide	cco
600	CNO-	fulminate	cno-
601	NCO-	cyanate	nco-
602	SCN	thiocyanato radical	scn
603	SCN-	thiocyanide anion	scn-
604	BO2	Boron dioxide	bo2
605	BO2-	Boron dioxide anion	bo2-
606	BO2+	Boron dioxide cation	bo2+
607	N2O-	Nitrous oxide anion	n2o-
608	N2O+	Nitrous oxide cation	n2o+
609	NNS	Nitrogen sulfide	nns
610	PPO	Phosphorus oxide phosphide	ppo
611	CO2-	Carbon dioxide anion	co2-
612	CO2+	Carbon dioxide cation	co2+
613	OCS+	Carbonyl sulfide cation	cos+
614	SiO2	silicon dioxide	sio2
615	CS2-	Carbon disulfide anion	cs2-
616	CS2+	Carbon disulfide cation	cs2+
617	TiO2	Titanium dioxide	tio2
618	SiS2	Silicon disulfide	sis2
619	GeS2	Germanium disulfide	ges2
620	CSe2	Carbon diselenide	cse2
621	SCTe	Carbon sulfide Telluride	scte
622	NO2-	Nitrogen dioxide anion	no2-
623	NO2+	Nitrogen dioxide cation	no2+
624	PO2	Phosphorus dioxide	po2
625	PO2-	Phosphorus dioxide anion	po2-
626	PO2+	Phosphorus dioxide cation	po2+
627	AsO2	Aresenic dioxide	aso2
628	O3	Ozone	o3
629	O3-	Ozone anion	o3-
630	O3+	Ozone cation	o3+
631	SO2-	Sulfur dioxide anion	so2-
632	SO2+	Sulfur dioxide cation	so2+
633	S3-	Sulfur trimer anion	s3-
634	S3+	Sulfur trimer cation	s3+
635	SeO2+	Selenium dioxide cation	seo2+
636	TeO2	Tellurium Dioxide	teo2
637	CS2H+	Carbon disulfide, protonated	cs2h+
638	HNCO	Isocyanic acid	hnco
639	HOCN	cyanic acid	hocn
640	HCO2-	formate anion	hco2-
641	HNNO	nitrosoazane	hnno
642	HNNO+	Nitrous oxide, N-protonated	hnno+
643	NNOH+	Nitrous Oxide, O-protonated	nnoh+
644	HCOO	formate neutral radical	hcoo
645	HOCO+	Hydrocarboxyl cation	hoco+
646	HNO2	Nitrous acid	hno2
647	HNO2+	nitrous acid cation	hno2+
648	SO2H+	protonated sulfur dioxide	so2h+
649	CH2CO+	Ketene cation	ch2co+
650	HCCOH	ethynol	hccoh
651	Mg(OH)2	Magnesium dihydroxide	h2mgo2
652	NH2NO	Nitrosamide	nh2no
653	CH2O2	Dioxirane	diox
654	H2COO	Dioxymethyl radical	h2coo
655	H2COO+	dioxymethyl cation	h2coo+
656	H2O3	Hydrogen trioxide	h2o3
657	HSSSH	trisulfane	hsssh
658	NaOCH3	Sodium methoxide	naoch3
659	CH2BOH	hydroxy(methylene)borane	ch2boh
660	CH3BO	Borane, methyloxo-	ch3bo
661	CH2CHO	Vinyloxy radical	ch2cho
662	CH3CO	Acetyl radical	ch3co
663	CH3CO-	Acetyl anion	ch3co-
664	CH3CO+	acetyl cation	ch3co+
665	CH2NOH	formaldoxime	ch2noh
666	CH3NO	nitrosomethane	ch3no
667	CHONH2	formamide	formamide
668	CNOH3	1,2-oxaziridine	cnoh3
669	CH2OOH	CH2OOH radical	ch2ooh
670	CH3OO	methylperoxy radical	ch3oo
671	CH3OO-	methylperoxy anion	ch3oo-
672	CH3OO+	methylperoxy cation	ch3oo+
673	CH2CHOH	ethenol	ch2choh
674	H2CONH2+	protonated formamide	h2conh2+
675	NH3CHO+	Formamide, N-Protonated	nh3cho+
676	CH2(OH)2	methanediol	ch2o2h2
677	CH3OOH	Methyl peroxide	ch3ooh
678	H2OH2CO	water formaldehyde dimer	h2oh2co
679	CH2CH2OH	2-hydroxy ethyl radical	ch2ch2oh
680	CH3CH2O	Ethoxy radical	ethoxy
681	CH3CHOH	1-hydroxy-ethyl radical	ch3choh
682	CH3CHOH+	acetaldehyde, protonated	ch3choh+
683	CH3OCH2	methoxymethyl radical	ch3och2
684	CH3SeCH3	dimethylselenide	dmse
685	CH3OHH2O	methanol water dimer	ch3ohh2o
686	H2OCH3OH	water methanol dimer	h2och3oh
687	CuF2	Copper difluoride	cuf2
688	ZnF2	Zinc difluoride	znf2
689	CNF	iso cyanogen fluoride	cnf
690	FCN	Cyanogen fluoride	fcn
691	ClCN	chlorocyanogen	clcn
692	ICN	Cyanogen iodide	icn
693	BeF2	Beryllium fluoride	bef2
694	MgF2	Magnesium fluoride	mgf2
695	BeCl2	Beryllium chloride	becl2
696	MgCl2	Magnesium dichloride	mgcl2
697	CaCl2	Calcium Chloride	cacl2
698	ZnCl2	Zinc dichloride	zncl2
699	CaF2	Calcium difluoride	caf2
700	FCO	Carbonyl fluoride	fco
701	FCO+	Carbonyl fluoride cation	fco+
702	ClCO	carbonyl monochloride	clco
703	FNS	Thionitrosyl fluoride	fns
704	BrNO	Nitrosyl bromide	brno
705	INO	Nitrosyl iodide	ino
706	CF2-	Difluoromethylene anion	cf2-
707	CF2+	Difluoromethylene cation	cf2+
708	CFCl	chlorofluoromethylene	cfcl
709	SiF2+	Silicon difluoride cation	sif2+
710	CCl2	dichloromethylene	ccl2
711	CCl2-	dichloromethylene anion	ccl2-
712	CCl2+	dichloromethylene cation	ccl2+
713	SiCl2	Dichlorosilylene	sicl2
714	GeF2	Germanium difluoride	gef2
715	CBr2	dibromomethylene	cbr2
716	FOO	Dioxygen monofluoride radical	foo
717	ClOO	chloroperoxy radical	cloo
718	ClOO+	chloroperoxy cation	cloo+
719	OClO+	Chlorine dioxide cation	oclo+
720	ClSO	Sulfur chloride oxide	clso
721	ClS2	Sulfur chloride	cls2
722	NF2	Difluoroamino radical	nf2
723	NF2+	Difluoroamino cation	nf2+
724	FClO	chlorosyl fluoride	fclo
725	F2O	Difluorine monoxide	f2o
726	ClOF	Chlorine hypofluorite	clof
727	SF2-	sulfur difluoride anion	sf2-
728	SF2+	sulfur difluoride cation	sf2+
729	Cl2O	Dichlorine monoxide	cl2o
730	SCl2	Sulfur dichloride	scl2
731	BrOCl	Bromine hypochlorite	brocl
732	BrOBr	Bromine oxide	brobr
733	F3-	trifluoride anion	f3-
734	Cl3-	trichloride anion	cl3-
735	I3-	triiodide	i3-
736	HCCF+	fluoroacetylene cation	hccf+
737	HCCCl	Chloroacetylene	hcccl
738	HCCBr	bromoacetylene	hccbr
739	HFCO	formyl fluoride	hfco
740	HFCO+	formyl fluoride cation	hfco+
741	COHCl	Formyl chloride	cohcl
742	COHBr	Formyl bromide	cohbr
743	BHF2	Difluoroborane	bhf2
744	BHCl2	Borane, dichloro-	bhcl2
745	CHCl2	dichloromethyl radical	chcl2
746	HOClO	Chlorous acid	hoclo
747	CH2FCl	fluorochloromethane	ch2fcl
748	CH2BrF	Methane, bromofluoro-	ch2fbr
749	CH2FI	fluoroiodomethane	ch2fi
750	CH2ClI	chloroiodomethane	ch2cli
751	CH2BrI	bromoiodomethane	ch2bri
752	CH2I2	Diiodomethane	ch2i2
753	SiH2Cl2	dichlorosilane	sih2cl2
754	CH2CHF+	fluoroethene cation	ch2chf+
755	C2H3Cl	Ethene, chloro-	ch2chcl
756	C2H3Br	vinyl bromide	c2h3br
757	C2H3I	Vinyl iodide	c2h3i
758	CH3OCl	methyl hypochlorite	ch3ocl
759	CH2CH2Cl	2-chloroethyl radical	ch2ch2cl
760	CHClCH3	1-chloroethyl radical	chclch3
761	C2H5F	fluoroethane	c2h5f
762	CH3CH2Cl	Ethyl chloride	c2h5cl
763	CH3SiFH2	fluoromethylsilane	ch3sifh2
764	C2H5I	Ethyl iodide	c2h5i
765	KrF2	Krypton difluoride	krf2
766	XeF2	Xenon difluoride	xef2
767	B4H10	Tetraborane(10)	b4h10
768	C4+	Carbon tetramer cation	c4+
769	C4H2	Diacetylene	c4h2
770	C2H3CCH	1-Buten-3-yne	c2h3cch
771	C4H4	cyclobutadiene	cbd
772	H2CCCCH2	Butatriene	h2cccch2
773	C4H6	Cyclobutene	c822355
774	C4H6	Methylenecyclopropane	c6142730
775	CH2CCHCH3	1,2-Butadiene	butad12
776	CH2CHCHCH2	1,3-Butadiene	c106990
777	CH3CCCH3	2-Butyne	c503173
778	CHCCH2CH3	1-Butyne	c107006
779	CH3CHCHCH2	methylallyl radical	c4h7
780	C4H8	methylcyclopropane	mcp
781	CH2C(CH3)CH3	1-Propene, 2-methyl-	isobute
782	CH3CHCHCH3	2-Butene, (E)-	bute2e
783	CH3CHCHCH3	2-Butene, (Z)-	bute2z
784	B(CH3)3	trimethylborane	bme3
785	Al(CH3)3	trimethyl aluminum	tma
786	C(CH3)3	Tert-butyl radical	tbutyl
787	CH2CH(CH3)2	Isobutyl radical	isobutyl
788	CH3CHCH2CH3	2-Butyl radical	butyl2
789	CH3CH(CH3)CH3	Isobutane	isobutane
790	SiH(CH3)3	trimethylsilane	trimsi
791	Li3N	trilithium nitride	li3n
792	C2N2	Cyanogen	c2n2
793	C2N2+	Cyanogen cation	c2n2+
794	P4	Phosphorus tetramer	p4
795	HCCCN	Cyanoacetylene	hcccn
796	HCCCN+	Cyanoacetylene cation	hcccn+
797	C3H3N	acrylonitrile	ch2chcn
798	C3H3N+	acrylonitrile cation	ch2chcn+
799	CH3N3	methyl azide	ch3n3
800	NH2CCNH2	Diaminoacetylene	daa
801	NH2CH2CN	Aminoacetonitrile	aan
802	CH3NHN2+	methyl azide, protonated	ch3nhn2+
803	CH5N3	Guanidine	guanidine
804	C4H6	Bicyclo[1.1.0]butane	c157335
805	CH3NNCH3	(Z)-1,2-Dimethyldiazene	dmdiazz
806	CH6N3+	guanidinium	ch6n3+
807	C3H7N	Cyclopropylamine	cpram
808	CH7N3	triaminomethane	tam
809	C3H7N	Azetidine	azet
810	C4H8	cyclobutane	cbutane
811	C2H8N2	Ethylenediamine	ethdiam
812	CH3NHNHCH3	dimethyl hydrazine	dmh
813	CH3CH(NH2)CH3	2-Propanamine	pram2
814	N(CH3)3	Trimethylamine	trimeam
815	NH2CH2CH2CH3	1-Propanamine	pram1
816	P(CH3)3	trimethylphosphine	tmp
817	As(CH3)3	trimethyl arsine	tmas
818	(CH3)3NH+	protonated trimethyl amine	ptma
819	C3H7NH3+	n-propylamine, protonated	c3h7nh2
820	Li2O2	dilithium dioxide	li2o2
821	Na2O2	disodium dioxide	na2o2
822	C3O	Tricarbon monoxide	c3o
823	B2O2	Diboron dioxide	b2o2
824	S2N2	Disulfur dinitride	s2n2
825	CO3	Carbon trioxide	co3
826	CO3--	carbonate	co3--
827	NO3	Nitrogen trioxide	no3
828	NO3-	nitrate anion	no3-
829	NO3+	nitrogen trioxide cation	no3+
830	SO3-	Sulfur trioxide anion	so3-
831	SO3+	Sulfur trioxide cation	so3+
832	SeO3	selenium trioxide	seo3
833	TeO3	Tellurium trioxide	teo3
834	HCO3-	bicarbonate anion	hco3-
835	HSO3	Hydroxysulfonyl radical	hso3
836	NH2NO2	nitramide	nh2no2
837	C2H2CO	cyclopropenone	c2h2co
838	HCCCHO	2-propynal	hcccho
839	C2H2O2+	Ethanedial cation	c2h2o2+
840	H2CO3	Carbonic acid	h2co3
841	H2CS3	thiocarbonic acid	h2cs3
842	H2NO3+	Nitric Acid, Protonated	h2no3+
843	H2SO3	Sulfurous acid	h2so3
844	CH3COO-	acetate anion	ch3coo-
845	CH3ONO	Methyl nitrite	ch3ono
846	NH2COOH	Carbamic acid	nh2cooh
847	H3BO3	Boric acid	h3bo3
848	H3CO3+	carbonic acid, protonated	h3co3+
849	C3H4O	2-Propyn-1-ol	c107197
850	C3H4O	allenol	c9000071
851	C3H4O	Cyclopropanone	cpone
852	C3H4O	Methylketene	c6004440
853	NH2CONH2	Urea	urea
854	NH2CONH2+	Urea cation	urea+
855	NH2CSNH2	Thiourea	thiourea
856	C2H4O2	1,3-dioxetane	c2h4o2
857	CH3COOH	Acetic acid	ch3cooh
858	CH3OCHO	methyl formate	ch3ocho
859	CHOCH2OH	hydroxy acetaldehyde	haa
860	NH2COOH2+	Carbamic acid, O-protonated	nh2cooh2+
861	NH3COOH+	protonated Carbamic acid	nh3cooh+
862	H2OHCOOH	Water formic acid dimer 1	h2ohcooh_10
863	H2OHCOOH	Water formic acid dimer 2	h2ohcooh_11
864	HCOOHH2O	Formic acid water dimer	hcoohh2o
865	HOCH2OOH	hydroxy methyl peroxide	hoch2ooh
866	CH3COCH2	Acetonyl radical	ch3coch2
867	CH3CHNOH	Acetaldoxime	acetaldoxime
868	CH3CONH2	Acetamide	acetamide
869	HCONHCH3	N-methylformamide	nmfa
870	CH5N2O+	urea, N-protonated	ch4n2o+
871	H2NCOHNH2+	urea, protonated	ureah+
872	C2H5OO	ethylperoxy radical	c2h5oo
873	CH3NNCH3	(E)-1,2-Dimethyldiazene	dmdiaze
874	C3H5OH	Cyclopropanol	cproh
875	C3H6O	2-Propen-1-ol	c107186
876	C3H6O	Acetone enol	enol
877	C3H6O	Oxetane	oxetane
878	C3H6O	Propylene oxide	prox
879	CH3COCH3-	acetone anion	ch3coch3-
880	C3H6S	Thietane	thietane
881	C3H6S	Thiirane, methyl-	methiirane
882	CH3CSCH3	Thioacetone	ch3csch3
883	C2H6O2	1,2-Ethanediol	ethdiol
884	CH3OOCH3	dimethylperoxide	dmp
885	CH2SHCH2SH	1,2-Ethanedithiol	ethdisl
886	CH3SSCH3	Disulfide, dimethyl	ch3ssch3
887	CH3COHCH3+	acetone, protonated	acetoneh+
888	HOCH2CH2NH2	monoethanolamine	mea
889	CH3CHOHCH3	Isopropyl alcohol	isoproh
890	CH3OC2H5	Ethane, methoxy-	etome
891	C3H7SH	1-Propanethiol	prsh
892	CH3CHSHCH3	2-Propanethiol	isoprsh
893	CH3SCH2CH3	Ethane, (methylthio)-	etsme
894	H2OCH3OCH3	water dimethylether dimer	h2och3och3
895	Na2F2	Sodium Fluoride Dimer	na2f2
896	Na2Cl2	Disodium dichloride	na2cl2
897	C2F2	difluoroacetylene	c2f2
898	C2Cl2	dichloroacetylene	c2cl2
899	C2Cl2+	dichloroacetylene cation	c2cl2+
900	FNO2	Nitryl fluoride	fno2
901	FONO	Nitrosyl hypofluorite	fono
902	ClNO2	Nitryl chloride	clno2
903	ClONO	chlorine nitrite	clono
904	BrONO	Bromine nitrite	brono
905	N2F2	(Z)-Difluorodiazene	n2f2_z
906	N2F2	Dinitrogen difluoride, (E)-	n2f2_e
907	COFCl	Carbonic chloride fluoride	cofcl
908	CCl2O	Phosgene	cl2co
909	Cl2CS	Thiophosgene	cl2cs
910	COBr2	Carbonic dibromide	cobr2
911	BF3-	Borane, trifluoro- anion	bf3-
912	AlF2Cl	Aluminum chloride difluoride	alclf2
913	ScF3	Scandium trifluoride	ScF3
914	AlFCl2	Aluminum dichloride fluoride	alcl2f
915	AlCl3	Aluminum trichloride	alcl3
916	BBr3	Boron tribromide	bbr3
917	AlBr3	Aluminum Bromide	albr3
918	ClO3	Chlorine trioxide	clo3
919	ClO3-	chlorate anion	clo3-
920	BrO3-	Bromate anion	bro3-
921	CF3	Trifluoromethyl radical	cf3
922	CF3-	Trifluoromethyl anion	cf3-
923	CF3+	Trifluoromethyl cation	cf3+
924	SiF3	Silicon trifluoride radical	sif3
925	SiF3+	Silicon trifluoride cation	sif3+
926	CCl3	Trichloromethyl radical	ccl3
927	CCl3-	Trichloromethyl anion	ccl3-
928	CCl3+	Trichloromethyl cation	ccl3+
929	SiCl3	trichlorosilyl radical	sicl3
930	SiCl3+	trichlorosilyl cation	sicl3+
931	FOOF	Perfluoroperoxide	foof
932	ClO2F	Chloryl fluoride	clo2f
933	F2SO	Thionyl Fluoride	f2so
934	ClOOCl	Dichlorine dioxide	cloocl
935	FSSF	Difluorodisulfane	fssf
936	S2F2	Thio-thionyl fluoride	s2f2
937	SOCl2	thionyl chloride	socl2
938	SeOCl2	selenium oxychloride	seocl2
939	NF3-	Nitrogen trifluoride anion	nf3-
940	NF3+	Nitrogen trifluoride cation	nf3+
941	PF3	Phosphorus trifluoride	pf3
942	AsF3	Arsenic trifluoride	asf3
943	PCl3	Phosphorus trichloride	pcl3
944	SbF3	Antimony Trifluoride	sbf3
945	AsCl3	Arsenous trichloride	ascl3
946	SbCl3	Antimony Trichloride	sbcl3
947	PBr3	Phosphorus tribromide	pbr3
948	AsBr3	Arsenic tribromide	asbr3
949	NI3	Nitrogen triiodide	ni3
950	PI3	Phosphorus triiodide	pi3
951	ClSSCl	Disulfur dichloride	s2cl2
952	SF3	Sulfur trifluoride	sf3
953	ClF3	Chlorine trifluoride	clf3
954	BrF3	Bromine trifluoride	brf3
955	IF3	iodone trifluoride	if3
956	CHF2Cl	difluorochloromethane	chf2cl
957	CHFCl2	fluorodichloromethane	chfcl2
958	CDCl3	trichloromethane-d	cdcl3
959	SiHCl3	Trichlorosilane	sihcl3
960	CHF2I	difluoroiodomethane	chf2i
961	CHFClI	fluorochloroiodomethane	chfcli
962	CHCl2I	dichloroiodomethane	chcl2i
963	CHClBr2	Methane, dibromochloro-	chclbr2
964	CHBr3	bromoform	chbr3
965	CHI3	Iodoform	chi3
966	NF3H+	protonated nitrogen trifluoride	nf3h+
967	C2H2F2	Ethene, 1,2-difluoro-, (E)-	c2h2f2e
968	C2H2F2	Ethene, 1,2-difluoro-, (Z)-	c2h2f2z
969	CH2CF2	Ethene, 1,1-difluoro-	ch2cf2
970	C2H2ClF	1-chloro-1-fluoroethylene	c2h2clf
971	CHFCHCl	(E)-1-chloro-2-fluoroethene	chfchcle
972	CHFCHClz	(Z)-1-Chloro-2-fluoroethene	chfchclz
973	CH2CCl2	Ethene, 1,1-dichloro-	ch2ccl2
974	CHClCHCl	Ethene, 1,2-dichloro-, (E)-	chclchcle
975	CHClCHCl	Ethene, 1,2-dichloro-, (Z)-	chclchclz
976	C2H2Br2	1,1-dibromoethene	c2h2br2
977	CH2FCHO	Fluoroacetaldehyde	ch2fcho
978	CH3COF	Acetyl fluoride	ch3cof
979	CH2ClCHO	chloroacetaldehyde	ch2clcho
980	CH3COCl	Acetyl Chloride	ch3cocl
981	CH2FCH2Cl	Ethane, 1-chloro-2-fluoro-	ch2fch2cl
982	CH3CHFCl	Ethane, 1-chloro-1-fluoro-	ch3chfcl
983	CH2ClCH2Cl	Ethane, 1,2-dichloro-	ch2clch2cl
984	CH3CHCl2	Ethane, 1,1-dichloro-	ch3chcl2
985	CH2CFCH3	2-fluoropropene	2fpro
986	C3H5Cl	1-Propene, 3-chloro-	prop1cl3
987	C3H5Cl	1-chloro-1-propene(E)	prop1cl1e
988	C3H5Cl	1-chloro-1-propene(Z)	prop1cl1z
989	CH2ClCH2OH	2-Chloroethanol	ch2clch2oh
990	CH2ClCH2OH2+	2-chloroethanol, protonated	ch2clch2oh2+
991	CH2ClCH2CH3	Propane, 1-chloro-	prcl1
992	CH3CH2CH2Br	n-propyl bromide	prbr
993	CH3CHBrCH3	i-propyl bromide	iprbr
994	C3H9O+	trimethyl oxonium cation	c3h9o+
995	C5H5	cyclopentadienyl radical	c5h5
996	C5H5-	cylopentadienyl anion	c5h5-
997	C5H6	1,3-Cyclopentadiene	c542927
998	C5H6	1-Buten-3-yne, 2-methyl-	c78808
999	C5H6	3-Penten-1-yne, (E)-	c2004695
1000	C5H6	3-Penten-1-yne, (Z)-	c1574409
1001	C5H6	Bicyclo[2.1.0]pent-2-ene	c5164352
1002	C5H6	Cyclopropylacetylene	c6746947
1003	C5H6	Propellane	propellane
1004	C5H7	1,3-pentadienyl radical	pdyl
1005	C5H7	cyclopentenyl radical	cpyl
1006	C5H8	1,2-Butadiene, 3-methyl-	c598254
1007	C5H8	1,2-Pentadiene	c591957
1008	C5H8	1,3-Butadiene, 2-methyl-	c78795
1009	C5H8	1,3-Pentadiene, (E)-	c2004708
1010	C5H8	1,3-Pentadiene, (Z)-	c1574410
1011	C5H8	1,4-Pentadiene	c591935
1012	C5H8	1-pentyne	a1pentyne
1013	C5H8	2,3-Pentadiene	c591968
1014	C5H8	Cyclobutane, methylene-	c1120565
1015	C5H8	Cyclopentene	c142290
1016	C5H8	Ethenylcyclopropane	c693867
1017	CH3CCCH2CH3	2-Pentyne	2pentyne
1018	C5H10	1-Butene, 2-methyl-	c563462
1019	C5H10	2-Butene, 2-methyl-	c513359
1020	C5H10	2-Pentene, (E)-	c646048
1021	C5H10	2-Pentene, (Z)-	c627203
1022	C5H10	Cyclopentane	c287923
1023	C5H10	Cyclopropane, 1,1-dimethyl-	c1630940
1024	CH2CHCH2CH2CH3	1-pentene	pentene
1025	C5H11	2-Methylbut-2-yl radical	c4348350
1026	C5H12	Butane, 2-methyl-	buta2
1027	C5H12	Pentane	pentane
1028	C5H12	Propane, 2,2-dimethyl-	neopentane
1029	Si(CH3)4	tetramethylsilane	tms
1030	N2O3	Dinitrogen trioxide	n2o3
1031	C3H2N2	Malononitrile	c3h2n2
1032	CH2N4	1H-Tetrazole	1htz
1033	C3H3N2	imidazolyl radical	im
1034	C3H3N2-	imidizolyl anion	im-
1035	C2H3N3	1H-1,2,4-Triazole	c288880
1036	C4H4N	pyrrolide radical	c4h4n
1037	C4H4N-	pyrrolide anion	c4h4n-
1038	C3H4N2	1H-Imidazole	1himidaz
1039	C3H4N2	1H-Pyrazole	1hpyraz
1040	C3H4N2	2H-Imidazole	imid2h
1041	C3H4N2	4H-Imidazole	imid4h
1042	C4H5N	(E)-2-Butenenitrile	c627269
1043	C4H5N	(Z)-2-Butenenitrile	c1190767
1044	C4H5N	2H-pyrrole	pyrrole2
1045	C4H5N	3H-pyrrole	pyrrole3
1046	C4H5N	Cyclopropanecarbonitrile	c5500210
1047	CH2CHCH2CN	Allylcyanide	ch2chch2cn
1048	C4H6N+	pyrrole, alpha-protonated	appyr
1049	C4H6N+	pyrrole, beta-protonated	bppyr
1050	C4H6N+	pyrrole, protonated	ppyr
1051	C3H6N2	3-Aminopropionitrile	c151188
1052	CH3CH(CH3)CN	Propanenitrile, 2-methyl-	c4h7n
1053	CH3CH2CH2CN	Butanenitrile	c109740
1054	C5H8	Bicyclo[2.1.0]pentane	c185944
1055	C5H8	Spiropentane	c157404
1056	C4H9N	Cyclobutylamine	cbam
1057	C4H9N	Pyrrolidine	pyrrolidine
1058	C3H10N2	1,2-Diaminopropane	diampr12
1059	C(CH3)3NH2	2-Propanamine, 2-methyl-	c75649
1060	C(NH2)H2C(CH3)HCH3	1-Propanamine, 2-methyl-	c78819
1061	C(NH2)H2CH2CH2CH3	1-Butanamine	butam1
1062	CH3C(NH2)HCH2CH3	2-Butanamine	butam2
1063	NH(C2H5)2	diethylamine	dea
1064	NC4H12+	tetramethyl ammonium cation	nc4h12+
1065	C3O2+	Carbon suboxide cation	c3o2+
1066	MgCO3	Magnesium Carbonate	mgco3
1067	BeCO3	Beryllium Carbonate	beco3
1068	CaCO3	Calcium Carbonate	caco3
1069	ONONO	Nitrosyl nitrite	onono
1070	PO4---	phosphate	po4---
1071	SO4--	sulfate	so4--
1072	HOONO2	peroxy nitric acid	hoono2
1073	HSO4-	bisulfate anion	hso4-
1074	C2H2N2S	1,3,4-Thiadiazole	c2h2n2s
1075	C3H2O2	Propiolic acid	c3h2o2
1076	CHOCOOH	oxo acetic acid	oaa
1077	H2SO4	Sulfuric acid	h2so4
1078	H2SeO4	Selenic acid	h2seo4
1079	C3H3NO	Oxazole	oxazole
1080	CH3C(O)OO	acetyl peroxy radical	ch3coo2
1081	CH3NO3	Methyl nitrate	ch3no3
1082	H3PO4	Phosphoric Acid	h3po4
1083	C4H4O+	Furan cation	furan+
1084	CH3COCCH	3-butyn-2-one	c1423605
1085	C4H4S	Thiophene	furans
1086	C3H4O2	β–Propiolactone	beta
1087	C3H4O2	2-Propenoic acid	propenoic2
1088	C3H4O2	Methyl glyoxal	megly
1089	C3H4O2	propanedial	propanedial
1090	C3H4O2	propenalol	propenalol
1091	HOCHCCHOH	allenediol	aldiol
1092	C2H4O3	1,2,3-trioxolane	c2h4o3
1093	C2H4O3	trioxolane124	triox
1094	HOCH2COOH	Hydroxyacetic acid	hac
1095	CH2CHCONH2	Acrylamide	c79061
1096	CH3OCH2CN	Methoxyacetonitrile	c1738369
1097	CH5N3S	Hydrazinecarbothioamide	c79196
1098	H2NCH2COOH	Glycine	glycine
1099	CH3SO2NH2	methanesulfonamide	ch3so2nh2
1100	C4H6O	cis-2-butenal	butenal2c
1101	C4H6O	Cyclobutanone	cbutone
1102	C4H6O	Furan, 2,3-dihydro-	furan23h
1103	C4H6O	Furan, 2,5-dihydro-	furan25h
1104	CH2CHOCHCH2	Vinyl ether	vinylether
1105	CHOCHCHCH3	2-Butenal	butenal2
1106	C4H6S	Thiophene, 2,3-dihydro-	thiop23h
1107	C4H6S	Thiophene, 2,5-dihydro-	thiop25h
1108	CH2CHSCHCH2	Divinyl sulfide	divis
1109	C2H6N2O	Urea, methyl-	c598505
1110	C3H6O2	1,3-Dioxolane	dioxolane
1111	CH3CH2COOH	Propanoic Acid	propanoic
1112	CH3COOCH3	methyl acetate	aame
1113	CH3SSSCH3	dimethyl trisulfide	c2h6s3
1114	C3H7NO	dimethylformamide	dmf
1115	C3H7NO	Propanamide	propanam
1116	C2H3OC2H5	Ethene, ethoxy-	c109922
1117	C4H8O	Cyclobutanol	c2919235
1118	C4H8O	Furan, tetrahydro-	thf
1119	CH2C(CH3)OCH3	1-Propene, 2-methoxy-	pre1meo2
1120	CH3COCH2CH3	2-Butanone	buta2one
1121	CHOCH(CH3)CH3	Propanal, 2-methyl-	c78842
1122	CHOCH2CH2CH3	Butanal	butanal
1123	C3H8O2	1,3-Propanediol	c504632
1124	C3H8O2	Hydroperoxide, 1-methylethyl	c3031752
1125	C3H8O2	Methane, dimethoxy-	c109875
1126	C3H8O2	Propylene glycol	c57556
1127	C3H8S2	1,3-Propanedithiol	c109808
1128	C4H10O	1-Butanol	butanol1
1129	C4H10O	1-Propanol, 2-methyl-	c78831
1130	C4H10O	2-Butanol, (.+/-.)-	butanol2
1131	C4H10O	Ethanol, 1,1-dimethyl-	tbuoh
1132	C4H10O	Propane, 2-methoxy-	c598538
1133	C4H10O+	1-Butanol cation	butanol1+
1134	C(CH3)3SH	2-Propanethiol, 2-methyl-	tbush
1135	C2H5SC2H5	Diethyl sulfide	etset
1136	CH2(SH)CH(CH3)CH3	1-Propanethiol, 2-methyl-	c513440
1137	CH3C(SCH3)HCH3	Propane, 2-(methylthio)-	mesipr
1138	CH3CH(SH)CH2CH3	2-Butanethiol	butansl2
1139	FNO3	Fluorine nitrate	fno3
1140	ClONO2	Chlorine nitrate	clono2
1141	BrONO2	Bromine nitrate	brono2
1142	TiCl4	Titanium tetrachloride	ticl4
1143	ClO4-	perchlorate anion	clo4-
1144	BF4-	tetrafluoroboron anion	bf4-
1145	ClFO3	Perchloryl fluoride	clfo3
1146	SO2F2	Sulfuryl fluoride	so2f2
1147	SO2Cl2	Sulfuryl chloride	so2cl2
1148	F3NO	Nitrogen trifluoride oxide	f3no
1149	F3PO	Phosphoryl fluoride	pf3o
1150	Cl3PO	Phosphoryl chloride	pcl3o
1151	CF4	Carbon tetrafluoride	cf4
1152	SiF4	Silicon tetrafluoride	sif4
1153	TiF4	Titanium tetrafluoride	tif4
1154	CFCl3	Trichloromonofluoromethane	cfcl3
1155	CCl4+	Carbon tetrachloride cation	ccl4+
1156	CBrClF2	Methane, bromochlorodifluoro-	cbrclf2
1157	SiCl4	Silane, tetrachloro-	sicl4
1158	CF3I	trifluoroiodomethane	cf3i
1159	CBrCl3	Methane, bromotrichloro-	cbrcl3
1160	CBr2F2	Methane, dibromodifluoro-	cbr2f2
1161	GeCl4	Germanium Tetrachloride	gecl4
1162	CCl3I	trichloroiodomethane	ccl3i
1163	CFBr3	fluorotribromomethane	cfbr3
1164	CFClBrI	fluorochlorobromoiodomethane	cfclbri
1165	CF2I2	difluorodiiodomethane	cf2i2
1166	CCl2I2	dichlorodiiodomethane	ccl2i2
1167	SiBr4	Silicon tetrabromide	sibr4
1168	CBr3I	tribromoiododmethane	cbr3i
1169	CI4	tetraiodomethane	ci4
1170	SiI4	silicon tetraiodide	sii4
1171	ClOF3	Chlorine trifluoride oxide	clof3
1172	C2HF3	Trifluoroethylene	c2hf3
1173	C2HF3+	Trifluoroethylene cation	c2hf3+
1174	CHClCCl2	Trichloroethylene	chclccl2
1175	CHBrCF2	1-Bromo-2,2-difluoroethylene	chbrcf2
1176	HClO4	perchloric acid	hclo4
1177	HSO3F	Fluorosulfonic acid	hso3f
1178	CF3OH	trifluoromethanol	cf3oh
1179	CHClCCHCl	1,3-dichloroallene	chclcchcl
1180	PF3CH2	phosphorane, trifluoromethylene-	pf3ch2
1181	CH3CF3	Ethane, 1,1,1-trifluoro-	ch3cf3
1182	CH3CF2Cl	1-Chloro-1,1-Difluoroethane	ch3cf2cl
1183	CH3CFCl2	1,1-Dichloro-1-fluoroethane	ch3cfcl2
1184	CH2ClCHCl2	1,1,2-trichloroethane	ch2clchcl2
1185	CH3CCl3	Ethane, 1,1,1-trichloro-	ch3ccl3
1186	SiCl3CH3	methyltrichlorosilane	sicl3ch3
1187	CH3CBr3	1,1,1-tribromoethane	ch3cbr3
1188	NH3BCl3	Amminetrichloroboron	nh3bcl3
1189	SiH3CCl3	(trichloromethyl)silane	sih3ccl3
1190	C3H5ClO	Oxirane, (chloromethyl)-	c106898
1191	CH3CF2CH3	2,2-difluoropropane	ch3cf2ch3
1192	CH2ClCH2CH2Cl	1,3-dichloropropane	prdicl13
1193	CH2ClCHClCH3	Propane, 1,2-dichloro-	prdicl12
1194	CHCl2CH2CH3	1,1-dichloropropane	prdicl11
1195	SiCl2(CH3)2	dichlorodimethylsilane	sicl2me2
1196	CH2CClCH2CH3	1-Butene, 2-chloro-	bute1cl2
1197	CH2CHCH2CH2Cl	1-Butene, 4-chloro-	bute1cl4
1198	CH2CHCHClCH3	1-Butene, 3-chloro-	bute1cl3
1199	CH2ClCHCHCH3	2-Butene, 1-chloro-	bute2cl1
1200	CH3CClCHCH3	2-Butene, 2-chloro-, (E)-	bute2cl2e
1201	CH3CClCHCH3	2-Butene, 2-chloro-, (Z)-	bute2cl2z
1202	CHClCHCH2CH3	(E)-1-Chloro-1-butene	bute1cl1
1203	CHClCHCH2CH3	(Z)-1-Chloro-1-butene	bute1cl1z
1204	C4H9F	1-fluorobutane	butaf1
1205	CH3CHFCH2CH3	2-fluorobutane	butaf2
1206	CH2ClCH2CH2CH3	Butane, 1-chloro-	butacl1
1207	CH3CCl(CH3)CH3	Propane, 2-chloro-2-methyl-	procl2me2
1208	CH3CHClCH2CH3	Butane, 2-chloro-	butacl2
1209	XeF4	Xenon tetrafluoride	xef4
1210	CF3PH2	phosphine, (trifluoromethyl)-	cf3ph2
1211	NH3BF3	Amminetrifluoroboron	nh3bf3
1212	C6H2	hexatriyne	c6h2
1213	C6H4	(E)-Hexa-1,5-diyne-3-ene	c6h4e
1214	C6H4	(Z)-Hexa-1,5-diyne-3-ene	c6h4z
1215	C6H4	Benzyne	benzyne
1216	C6H5	phenyl	phenyl
1217	C6H5-	phenyl anion	phenyl-
1218	C6H6	2,4-Hexadiyne	hexadiyne
1219	C6H6	3,4-Dimethylenecyclobutene	cb34m
1220	C6H6	Benzvalene	bv
1221	C6H6	Hexa-1,5-diene-3-yne	hdy153
1222	C6H6	Trimethylenecycopropane	tmcp
1223	C6H6+	Benzene cation	c6h6+
1224	C6H7+	benzene, protonated	c6h7+
1225	C6H8	(E)-hexa-1,3,5-triene	c821078
1226	C6H8	(E)-hexa-2,3,4-triene	c59660650
1227	C6H8	(Z)-hexa-1,3,5-triene	hexatri135
1228	C6H8	(Z)-hexa-2,3,4-triene	hetr234c
1229	C6H8	1,3-Cyclohexadiene	cyhexadiene13
1230	C6H8	1,4-Cyclohexadiene	cyhexadiene14
1231	C6H8	3-Methylenecyclopentene	c930267
1232	C6H8	Bicyclo[2.1.1]hex-2-ene	c822413
1233	C6H8	Bicyclo[2.2.0]hex-1(4)-ene	c30830207
1234	C6H8	Bicyclo[3.1.0]hex-2-ene	c694019
1235	C6H10	1,3-Hexadiene, (E)-	hexdi13e
1236	C6H10	1,3-Hexadiene, (Z)-	hexdi13z
1237	C6H10	1,4-Hexadiene, (E)-	hexdi14t
1238	C6H10	1,4-Hexadiene, (Z)-	hexdi14z
1239	C6H10	1,5-Hexadiene	c592427
1240	C6H10	1-Butyne, 3,3-dimethyl-	c917920
1241	C6H10	1-Hexyne	hexyne1
1242	C6H10	2,4-Hexadiene, (E,E)-	hexdi24ee
1243	C6H10	2,4-Hexadiene, (E,Z)-	hexdi24ez
1244	C6H10	2,4-Hexadiene, (Z,Z)-	hexdi24zz
1245	C6H10	2-Hexyne	c764352
1246	C6H10	3-Hexyne	hexyne3
1247	C6H10	cyclohexene	cyclohexene
1248	C6H10	Cyclopentene, 1-methyl-	c693890
1249	C6H10	Cyclopentene, 3-methyl-	c1120623
1250	C6H10	Cyclopentene, 4-methyl-	c1759815
1251	C4H6(CH3)2	1,1-dimethylcyclobutane	dmcb11
1252	C6H12	(1R,2R)-1,2-dimethylcyclobutane	dmcb12t
1253	C6H12	(1r,3r)-1,3-dimethylcyclobutane	dmcb13t
1254	C6H12	(E)-2-Hexene	e2hexene
1255	C6H12	(E)-3-methylpent-2-ene	c616126
1256	C6H12	(E)-hex-3-ene	e3hexene
1257	C6H12	(Z)-3-methylpent-2-ene	c922623
1258	C6H12	(Z)-hex-2-ene	z2hexene
1259	C6H12	(Z)-hex-3-ene	z3hexene
1260	C6H12	2,3-dimethylbut-1-ene	c563780
1261	C6H12	2,3-dimethyl-but-2-ene	tmeet
1262	C6H12	3-methylenepentane	c760214
1263	C6H12	cis-1,2-dimethylcyclobutane	dmcb12c
1264	C6H12	cis-1,3-dimethylcyclobutane	dmcb13c
1265	C6H12	Cyclohexane	cyclohexane
1266	C6H12	Cyclopentane, methyl-	c96377
1267	C6H12	Ethylcyclobutane	c4806615
1268	C6H12	hex-1-ene	hexene1
1269	C6H14	Butane, 2,2-dimethyl-	buta22
1270	C6H14	Butane, 2,3-dimethyl-	buta23
1271	C6H14	Hexane	hexane
1272	C6H14	Pentane, 2-methyl-	penta2
1273	C6H14	Pentane, 3-methyl-	penta3
1274	C4N2	2-Butynedinitrile	c4n2
1275	C4H2N2	Fumaronitrile	c4h2n2
1276	C2H2N4	sym-tetrazine	ttz
1277	C3H3N3	1,3,5-Triazine	triazine135
1278	CH3N5	5-Aminotetrazole	c4418615
1279	C4H4N2	1,3-Diazine	diazine13
1280	C4H4N2	Pyrazine	pyrazine
1281	C4H4N2	Pyridazine	pyridazine
1282	C4H4N2	Succinonitrile	c110612
1283	C2H4N4	1H-Tetrazole, 1-methyl-	c16681779
1284	C2H4N4	1H-Tetrazole, 5-methyl-	c4076362
1285	C2H4N4	2H-Tetrazole, 2-methyl-	c16681780
1286	C5H5N	Bicyclo[1.1.0]butane-1-carbonitrile	bibucn
1287	C5H5N	E-2,4-pentadienenitrile	bdcn
1288	C5H5N	Pyridine	pyridine
1289	B3N3H6	borazine	borazine
1290	C6H6	Fulvene	fulvene
1291	C5H6N+	Pyridinium	c5h6n
1292	C4H6N2	1H-Imidazole, 2-methyl-	c693981
1293	C5H7N	(E)-2-Pentenenitrile	c26294984
1294	C5H7N	(E)-3-Pentenenitrile	c16529661
1295	C5H7N	(Z)-2-Pentenenitrile	c25899507
1296	C5H7N	1H-Pyrrole, 1-methyl-	c96548
1297	C5H7N	Cyclobutanecarbonitrile	c4426113
1298	C5H9N	1,2,3,6-Tetrahydropyridine	c694053
1299	C5H9N	Butanenitrile, 2-methyl-	c18936179
1300	C5H9N	Pentanenitrile	c110598
1301	C5H9N	Propanenitrile, 2,2-dimethyl-	c630182
1302	C6H10	Bicyclo[3.1.0]hexane	c285585
1303	C5H11N	Cyclopentanamine	cypentam
1304	C5H11N	Piperidine	piper
1305	C4H12N2	1,2-Butanediamine	c4426486
1306	C4H12N2	2-Methyl-1,2-propanediamine	c811938
1307	Li2CO3	Lithium Carbonate	li2co3
1308	Na2CO3	Sodium Carbonate	na2co3
1309	C2O4--	oxalate anion	c2o4
1310	MgSO4	Magnesium Sulfate	mgso4
1311	C2H2O4	Oxalic Acid	oxalic
1312	C2H3NO3	Oxamic acid	oxamic
1313	C4H4O2	2(5H)-Furanone	furanone
1314	C4H4O2	2-Oxetanone, 4-methylene-	c674828
1315	C2H4N2O2	Oxalamide	oxalamide
1316	C2H4N2S2	Ethanedithioamide	c79403
1317	C2H4CO3	Ethylene carbonate	etco3
1318	C3H4O2S	2H-Thiete-1,1-dioxide	c7285327
1319	C3H4S3	1,3-Dithiolane-2-thione	c822388
1320	C2H4O4	Formic acid dimer	fadimer
1321	C4H5NO	3-Methylisoxazole	isox3m
1322	C4H5NO	Isoxazole, 5-methyl-	c5765446
1323	C4H5NS	4-Methylthiazole	c693958
1324	C2H5NO3	Nitric acid, ethyl ester	c625581
1325	C5H6O	2-methylfuran	furan2m
1326	C5H6O	3-Methylfuran	furan3m
1327	C5H6S	Thiophene, 2-methyl-	c554143
1328	C5H6S	Thiophene, 3-methyl-	c616444
1329	C4H6O2	2,3-Butanedione	c431038
1330	C4H6O2	2-Propenoic acid, methyl ester	c96333
1331	C4H6O2	Crotonic Acid	crot
1332	C4H6OS	2,3-dihydrothiophene-2-ol	c9000117
1333	C4H6OS	2,5-dihydrothiophene-3-ol	c9000093
1334	C4H6OS	4,5-dihydrothiophene-2-ol	c9000106
1335	C4H6OS	4,5-dihydrothiophene-3-ol	c9000082
1336	C4H6OS	Dihydro-2-(3H)-thiophenone	c1003107
1337	C4H6OS	Dihydro-3-(2H)-thiophenone	c1003049
1338	C4H6OS	Vinyl sulfoxide	c1115157
1339	CH6N4S	Carbonothioic dihydrazide	thiacarb
1340	C2H6N2O2	(E)-Azodioxymethane	c37765154
1341	C2H6N2O2	Dimethylnitroamine	c4164287
1342	C3H6S3	1,3,5-Trithiane	c3h6s3
1343	C3H6S3	Carbonotrithioic acid, dimethyl ester	c2314489
1344	C2H6O3S	Sulfurous acid, dimethyl ester	c616422
1345	C4H7NO	2-Pyrrolidinone	c616455
1346	C4H7NO	Ethoxyacetonitrile	etoaccn
1347	C4H7NO	Methacrylamide	c79390
1348	C4H7NO	Oxazole, 4,5-dihydro-2-methyl-	c1120645
1349	HCONH2CN2H4	formamide aminomethanimine dimer	d13
1350	C3H7ONO	Propyl nitrite	prono
1351	CH3CH(CH3)ONO	Isopropyl nitrite	c541424
1352	CH3CH(NH2)COOH	Alanine	alanine
1353	CH3NHCH2COOH	Sarcosine	sarcosine
1354	NH2CH2CH2COOH	β–alanine	betaalanine
1355	NH2COOC2H5	Urethane	urethane
1356	C5H8O	2H-Pyran, 3,4-dihydro-	c110872
1357	C5H8O	Cyclopentanone	c120923
1358	C5H8O	Furan, 2,3-dihydro-5-methyl-	c1487156
1359	C5H8O	Methyl cyclopropyl ketone	c765435
1360	N(CH3)2CONH2	Urea, N,N-dimethyl-	c598947
1361	NH(CH3)CONH(CH3)	Urea, N,N'-dimethyl-	c96311
1362	NH2CONHC2H5	Urea, ethyl-	c625525
1363	C4H8O2	1,3-Dioxane	dioxan13
1364	C4H8O2	1,3-Dioxolane, 2-methyl-	c497267
1365	C4H8O2	1,4-Dioxane	dioxan14
1366	C4H8O2	Ethene, 1,1-dimethoxy-	c922690
1367	C4H8OS	s-Ethyl thioacetate	c625605
1368	C3H8O3	1,2,3-Propanetriol	glycerin
1369	C3H8O2S	(Methylsulfonyl)ethane	c594434
1370	C4H9NO	Butanamide	c541355
1371	C4H9NO	Propanamide, 2-methyl-	c563837
1372	C5H10O	2-Butanone, 3-methyl-	c563804
1373	C5H10O	2H-Pyran, tetrahydro-	c142687
1374	C5H10O	2-methylbutyraldehyde	2meba
1375	C5H10O	2-Pentanone	mpk
1376	C5H10O	Cyclopentanol	c96413
1377	C5H10O	Oxetane, 3,3-dimethyl-	c6921353
1378	C5H10O	Pentanal	pal
1379	C5H10S	2H-Thiopyran, tetrahydro-	c1613510
1380	C5H10S	3-Ethylthio-1-propene	c5296628
1381	C5H10S	Cyclopentanethiol	c1679078
1382	C5H10S	Thiophene, tetrahydro-2-methyl-	c1795091
1383	C5H10S	Thiophene, tetrahydro-3-methyl-	c4740005
1384	C4H10O2	1,1-Dimethoxyethane	c534156
1385	C4H10O2	1,3-Butanediol	budiol13
1386	C4H10O2	1,4-Butanediol	budiol14
1387	C4H10O2	Ethane, 1,2-dimethoxy-	c110714
1388	C4H10OS	Diethyl sulfoxide	c70291
1389	C4H10S2	1,4-Butanedithiol	budisl14
1390	C4H11NO	Diethylhydroxylamine	c3710847
1391	C5H12O	1-Butanol, 2-methyl-	c137326
1392	C5H12O	1-Butanol, 3-methyl-	c123513
1393	C5H12O	1-Pentanol	pentanol1
1394	C5H12O	2-Butanol, 3-methyl-	c598754
1395	C5H12O	2-Pentanol	peol2
1396	C5H12O	3-Pentanol	pentan3ol
1397	C5H12O	Butane, 1-methoxy-	meobu
1398	C5H12O	Propane, 1-ethoxy-	proet
1399	C5H12O	Propane, 2-methoxy-2-methyl-	c1634044
1400	C5H12S	1-Butanethiol, 2-methyl-	c1878188
1401	C5H12S	1-Butanethiol, 3-methyl-	c541311
1402	C5H12S	1-Pentanethiol	c110667
1403	C5H12S	1-Propanethiol, 2,2-dimethyl-	c1679089
1404	C5H12S	2-Butanethiol, 2-methyl-	c1679090
1405	C5H12S	2-Butanethiol, 3-methyl-	c2084186
1406	C5H12S	Butane, 1-(methylthio)-	c628295
1407	C5H12S	Ethyl propyl sulfide	c4110503
1408	C5H12S	Propane, 2-(ethylthio)-	c5145993
1409	C5H12S	Propane, 2-methyl-2-(methylthio)-	c6163640
1410	ClCOClCO	Oxalyl chloride	oxcl
1411	CF3CN	Acetonitrile, trifluoro-	cf3cn
1412	CF3CN+	Acetonitrile, trifluoro- cation	cf3cn+
1413	B2F4	Diboron tetrafluoride	b2f4
1414	B2Cl4	Diboron tetrachloride	b2cl4
1415	C2F4	Tetrafluoroethylene	c2f4
1416	C2F4+	Tetrafluoroethylene cation	c2f4+
1417	CF2CCl2	difluorodichloroethylene	cf2ccl2
1418	CFClCClF	trans-1,2-dichloro-1,2-difluoroethylene	cfclcclf
1419	CFClCFCl	cis-1,2-dichloro-1,2-difluoroethylene	cfclcfcl
1420	C2FCl3	fluorotrichloroethene	c2fcl3
1421	C2Cl4	Tetrachloroethylene	c2cl4
1422	CF3OF	Trifluoromethylhypofluorite	cf3of
1423	SOF4	Sulfur tetrafluoride oxide	sof4
1424	AsF5	Arsenic pentafluoride	asf5
1425	PCl5	Phosphorus pentachloride	pcl5
1426	SF5	Sulfur pentafluoride	sf5
1427	SF5+	pentafluoro sulfur cation	sf5+
1428	SbCl5	Antimony pentachloride	sbcl5
1429	BrF5	bromine pentafluoride	brf5
1430	ClF5	chlorinepentafluoride	clf5
1431	IF5	pentafluoroiodine	if5
1432	CF3CHO	trifluoroacetaldehyde	cf3cho
1433	CCl3CHO	trichloroacetaldehyde	ccl3cho
1434	CHFClCHClF	ethane, 1,2-dichloro-1,2-difluoro-	chfclchclf
1435	CF3CH2F	1,1,1,2-tetrafluoroethane	cf3ch2f
1436	CHF2CHF2	1,1,2,2-tetrafluoroethane	chf2chf2
1437	CF3CH2Cl	2,2,2-Trifluoroethyl chloride	cf3ch2cl
1438	CHFClCHFCl	1,2-dichloro-1,2-difluoroethane RR	chfclchfcl
1439	CHCl2CHF2	1,1-dichloro-2,2-difluoroethane	c2h2cl2f2
1440	CF3COOH	trifluoroacetic acid	cf3cooh
1441	C4H3ClO	Furan, 2-chloro	fur2cl
1442	C4H3ClO	Furan,3-chloro	fur3cl
1443	C3H5ClO2	Carbonochloridic acid, ethyl ester	c541413
1444	C3H5Cl3	Propane, 1,2,3-trichloro-	prcl135
1445	C4H8Cl2	1,4-Dichlorobutane	c110565
1446	C4H8Cl2	Butane, 1,2-dichloro-	c616217
1447	C4H8Cl2	Butane, 1,3-dichloro-	c1190223
1448	C4H8Cl2	Butane, 2,3-dichloro-, (r*,r*)-(.+/-.)-	c2211678
1449	C4H8Cl2	Butane, 2,3-dichloro-, (r*,s*)-	c4028562
1450	C4H9ClO	1-Chloro-2-ethoxyethane	c628342
1451	C5H11Cl	Pentane, 1-chloro-	pencl1
1452	C4H8O2	Butanoic acid	bua
1453	C6H5CH2	benzyl radical	benzyl
1454	C7H7	cycloheptatrienyl radical	c7h7
1455	C7H7+	cycloheptatrienyl cation	c7h7+
1456	C6H5CH3	toluene	toluene
1457	C7H8	cycloheptatriene	cht
1458	C7H8	Norbornadiene	norbor
1459	C7H8	Quadricyclane	qucy
1460	C7H12	Norbornane	nor
1461	C7H14	cycloheptane	c7h14
1462	C7H16	2-methylhexane	2mhex
1463	C7H16	3-methylhexane	hex3m
1464	C7H16	heptane	heptane
1465	C6H7N	2-Methylpyridine	mp
1466	C6H5NH2	aniline	aniline
1467	C6H13N	2-Methylpiperidine	pip2m
1468	C6H13N	cyclohexanamine	cham
1469	C6H15N	triethylamine	tea
1470	N2O5	Dinitrogen pentoxide	n2o5
1471	C4H2O3	Maleic Anhydride	malan
1472	C5H4O2	4-Cyclopentene-1,3-dione	cpdio
1473	C6H5O	phenoxy radical	phenoxy
1474	C5H5NO	2(1H)-Pyridinone	c72762006
1475	C5H5NO	2(3H)-Pyridinone	c9000048
1476	C5H5NO	2(5H)-Pyridinone	c9000037
1477	C5H5NO	2-Pyridinol	c109104
1478	C5H5NO	3(2H)-Pyridinone	c9000004
1479	C5H5NO	3(4H)-Pyridinone	c9000026
1480	C5H5NO	3(6H)-Pyridinone	c9000015
1481	C5H5NO	3-Pyridinol	c109002
1482	C5H5NO	4(1H)-Pryidinone	c9000060
1483	C5H5NO	4(3H)-Pryidinone	c9000059
1484	C5H5NO	4-Pyridinol	c626642
1485	C6H5OH	phenol	phenol
1486	C6H6O	2,4-Cyclohexadienone	c24599573
1487	C6H6O	2,5-Cyclohexadienone	c5664335
1488	C6H5SH	Benzenethiol	phsh
1489	HO2CCHNH2CH2OH	Serine	serine
1490	C5H8O2	Acetylacetone	acac
1491	C4H8O2S	Sulfolane	sulfolane
1492	C7H10	Norbornene	norbornene
1493	CH(C2H3)3	trivinyl methane	tvm
1494	C6H10O	cyclohexanone	chexo
1495	C6H12O	hexanal	c6h12o
1496	C3H7OC3H7	di-n-propyl ether	propr
1497	F2CCCF2	tetrafluoroallene	pfa
1498	CF3COO-	trifluoro acetate anion	cf3coo-
1499	CF3COF	trifluoroacetyl fluoride	cf3cof
1500	CF3COCl	trifluoroacetyl chloride	cf3cocl
1501	PF6	Hexafluorophosphate neutral	pf6
1502	PF6-	Hexafluorophosphate ion	pf6-
1503	SeF6	Selenium hexafluoride	sef6
1504	SF5Cl	sulfur chloropentafluoride	sf5cl
1505	CF3CHF2	pentafluoroethane	cf3chf2
1506	CF3CHFCl	1,1,1,2-tetrafluorochloroethane	cf3chfcl
1507	CF3CHCl2	1,1-Dichloro-2,2,2-trifluoroethane	cf3chcl2
1508	CHCl2CClF2	Ethane, 1,2,2-trichloro-1,1-difluoro-	chcl2cclf2
1509	CCl3CHCl2	pentachloroethane	ccl3chcl2
1510	C6H5F	Fluorobenzene	bzf
1511	C6H5Cl	chlorobenzene	bzcl
1512	C6H5Br	bromobenzene	bzbr
1513	C8H6	Calicene	calicene
1514	C6H5CCH	phenylacetylene	phac
1515	C8H6	benzocyclobutadiene	bcbd
1516	C8H6	Pentalene	pentalene
1517	C6H5CHCH2	Styrene	styrene
1518	C8H8	cyclooctatetraene	cot
1519	C6H5CH2CH3	Ethylbenzene	etbz
1520	CH3C6H4CH3	meta-xylene	mxylene
1521	CH3C6H4CH3	paraxylene	pxylene
1522	C8H14	Bicyclo[2.2.2]octane	bico222
1523	C8H16	cyclooctane	cyclooct
1524	(CH3)3CC(CH3)3	tetramethylbutane	tmb
1525	C8H18	Octane	c8h18
1526	C6H5CN	phenyl cyanide	phcn
1527	C6H12N2	Triethylenediamine	ted
1528	C4O4--	squarate dianion	c4o4--
1529	S4N4	Tetrasulfur tetranitride	s4n4
1530	S8	Octasulfur	s8
1531	C6H4O2	parabenzoquinone	pbq
1532	C4H4N2O2	Uracil	uracil
1533	C6H5OCH3	Anisole	anisole
1534	C5H9NO2	Proline	proline
1535	C6H12O2	Methyl pivalate	c598981
1536	C6H12O2	Hexanoic acid	hexa
1537	C4F4	tetrafluorcyclobutadiene	c4f4
1538	Al2Cl6	Aluminum, di-μ-chlorotetrachlorodi-	al2cl6
1539	CF3CF2Cl	pentafluorochloroethane	cf3cf2cl
1540	CF2ClCF2Cl	1,2-Dichloro-1,1,2,2-tetrafluoroethane	cf2clcf2cl
1541	CF3CFCl2	1,1-Dichlorotetrafluoroethane	cf3cfcl2
1542	CF2ClCFCl2	Ethane, 1,1,2-trichloro-1,2,2-trifluoro-	cf2clcfcl2
1543	CF3CCl3	1,1,1-trifluoro-2,2,2-trichloroethane	cf3ccl3
1544	C2F6	hexafluoroethane	c2f6
1545	IF7	Iodine heptafluoride	if7
1546	C6H4F2	metadifluorobenzene	mdfb
1547	C6H4F2	orthodifluorobenzene	odfb
1548	C6H4Cl2	1,2-dichlorobenzene	dcb12
1549	C6H4Cl2	1,3-dichlorobenzene	dcb13
1550	C6H4Cl2	1,4-dichlorobenzene	dcb14
1551	C6H5NO	nitrosobenzene	bzno
1552	C9H8	Indene	indene
1553	C9H8	spiro[4.4]nona-1,3,6,8-tetraene	snt
1554	C9H12	n-propyl benzene	prbz
1555	C9H20	Nonane	nonane
1556	C(CN)4	tetracyanomethane	c5n4
1557	C5H4N4	purine	purine
1558	C8H7N	Indole	indole
1559	C3H3N3O3	cyanuric acid	cyanuric
1560	C6H5NO2	Nitrobenzene	c6h5no2
1561	C6H5COOH	benzoic acid	benzo
1562	CH3COC6H5	acetophenone	acph
1563	C3Cl3N3	1,3,5-Triazine, 2,4,6-trichloro-	c3cl3n3
1564	C6H3F3	Benzene trifluoride 123	bzf3a
1565	C10H8	Azulene	azu
1566	C10H8	naphthalene	naph
1567	C10H16	adamantane	adamantane
1568	C6N4	Tetracyanoethylene	tcne
1569	C6N4-	tetracyanoethylene anion	tcne-
1570	C10H22	Decane	decane
1571	C4F6	perfluorobutadiene	c4f6
1572	SF5CF3	Sulfur, pentafluoro(trifluoromethyl)-	sf5cf3
1573	C3F8	perfluoropropane	c3f8
1574	Fe(CO)5	Iron pentacarbonyl	ipc
1575	Fe(C5H5)2	ferrocene	fecp2
1576	B12H12--	Dodecahydrododecaborate(2-)	b12h12--
1577	C12H8	Acenaphthylene	acenaph
1578	C12H8	biphenylene	biph
1579	C12H10	biphenyl	biphenyl
1580	C12H10	Heptalene	heptalene
1581	C6H12O6	Inositol	inositol
1582	C6F6	hexafluorobenzene	c6f6
1583	S2F10	disulphur decafluoride	s2f10
1584	C14H10	Anthracene	anth
1585	C14H10	Phenanthrene	phenanthrene
1586	C14H14	Bibenzyl	bibenzyl
1587	C12H10N2	azobenzene	azobenzene
1588	C6H5COC6H5	benzophenone	benzophenone
1589	C16H10	Pyrene	pyrene
1590	C18H12	Tetracene	tetracene
1591	C19H16	Triphenylmethane	tpm
1592	C24H12	Coronene	coronene
1593	C60	Buckminsterfullerene	c60