National Institute of Standards and Technology

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

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

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

List of which calculations are completed at CCD /Def2TZVPP

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count	Species	Name	State	Conformation
1	H	Hydrogen atom	1S	Kh
2	He	Helium atom	1S	Kh
3	He	Helium atom
4	He+	Helium atom cation	2S	Kh
5	HeH+	Helium hydride cation	1Σ	C∞v
6	He2+	helium diatomic cation	2Σu	D∞h
7	K	Potassium atom	2S	Kh
8	KH	Potassium hydride	1Σ	C∞v
9	MgH	magnesium monohydride	2Σ	C∞v
10	ZnH+	Zinc, protonated
11	BeH2+	Beryllium dihydride cation
12	Al-	Aluminum atom anion	3P	Kh
13	Al+	Aluminum atom cation	1S	Kh
14	Ga	Gallium atom	2P
15	Ga-	Gallium atom anion	3P	Oh
16	Ga+	Gallium atom cation	1S
17	GaH	Gallium monohydride	1Σ	C∞v
18	GaH+	Gallium monohydride cation	2Σ	C∞v
19	BH3+	boron trihydride cation	2B2	C2v
20	BH3+	boron trihydride cation		C2v
21	AlH3-	aluminum trihydride anion		C3v
22	BH4-	borohydride anion	1A1	Td
23	C	Carbon atom	3P0	Kh
24	Si-	Silicon atom anion	4S	Kh
25	Ge	Germanium atom	3P	Kh
26	Ge-	Germanium anion	4S	Kh
27	Ge+	Germanium cation	2P	Kh
28	Sn	Tin atom
29	Sn+	Tin cation
30	CH	Methylidyne	2Π1/2	C∞v
31	SiH	Silylidyne	2Π	C∞v
32	GeH	germylidene	2Π	C∞v
33	CH2-	methylene anion	2B1	C2v
34	GeH2	germylene	1A1	C2v
35	SiH3	Silyl radical	2A1	C3v
36	SiH3+	Silyl cation	1A1'	D3h
37	GeH3	Germyl radical	2A1	C3v
38	GeH3+	germyl cation	1A1'	D3h
39	SiH2D2	silane-d2
40	GeH4	Germane	1A1	Td
41	SnH4	Stannane
42	SiH5+	Silane, protonated
43	N	Nitrogen atom	4S	Kh
44	P	Phosphorus atom	4S	Kh
45	As	Arsenic atomic	4S	Kh
46	As-	Arsenic anion	3P	Kh
47	As+	Arsenic cation	3P	Kh
48	Sb	Antimony atom
49	PH	phosphorus monohydride	3Σ-	C∞v
50	AsH	Arsenic monohydride	3Σ	C∞v
51	SbH	Antimony monohydride
52	NH2	Amino radical	2B1	C2v
53	NH2+	Amino cation	3B1	C2v
54	NH2+	Amino cation	1A1	C2v
55	PH3	Phosphine	1A1	C3v
56	PH3+	Phosphine cation	2A1	C3v
57	AsH3	Arsine	1A1	C3v
58	AsH3+	Arsine cation	2A1	C3v
59	SbH3	Stibine
60	AsH4+	Arsonium
61	NH4	Ammonium radical
62	PH4	Phosphoranyl radical
63	O	Oxygen atom	3S	Kh
64	S	Sulfur atom
65	Se	Selenium atom	3P	Kh
66	Se-	Selenium atom anion	2P	Kh
67	Se+	Selenium atom cation	4S	Kh
68	Te	Tellurium atom
69	Te+	Tellurium atom cation
70	OH	Hydroxyl radical	2Π	C∞v
71	OH+	hydoxyl cation	3Σ	C∞v
72	HS-	mercapto anion	1Σ	C∞v
73	HS+	sulfur monohydride cation	3Σ	C∞v
74	HSe	Selenium monohydride	2Π	C∞v
75	HSe-	selenium monohydride anion	1Σ	C∞v
76	HSe+	selenium monohydride cation	3Σ	C∞v
77	TeH	Telluryl radical
78	H2O	Water	1A1	C2v
79	H2O-	water anion	2A1	C2v
80	H2O-	water anion	2A'	Cs
81	H2O+	water cation	2B1	C2v
82	HDO	Water-d1	1A1	C2v
83	H2Se	Hydrogen selenide	1A1	C2v
84	H2Se+	Hydrogen selenide cation	2B1	C2v
85	H2Te	Hydrogen Telluride
86	H3S+	Sulfonium cation	1A1	C3v
87	H3Se+	Hydrogen Selenide, protonated	1A1	C3v
88	F	Fluorine atom	2P	Kh
89	Cl	Chlorine atom	2P	Kh
90	Br	Bromine atom	2P	Kh
91	Br-	Bromine atom anion	1S	Kh
92	Br+	Bromine atom cation	3P	Kh
93	I	Iodine atom	2P	Kh
94	I-	Iodine atom anion	1S	Kh
95	I+	Iodine atom cation	3P	Kh
96	HF	Hydrogen fluoride	1Σ	C∞v
97	HF-	hydrogen fluoride anion	2Σ	C∞v
98	HF+	hydrogen fluoride cation	2Π	C∞v
99	HCl	Hydrogen chloride	1Σ	C∞v
100	HCl-	hydrogen chloride anion	2Σ	C∞v
101	HCl+	hydrogen chloride cation	2Π	C∞v
102	HBr	hydrogen bromide	1Σ	C∞v
103	HBr-	hydrogen bromide anion	2Σ	C∞v
104	HBr+	hydrogen bromide cation	2Π	C∞v
105	HI	Hydrogen iodide	1Σ	C∞v
106	HI+	Hydrogen iodide cation
107	H2Cl+	dihydrogen monochloride cation	1A1	C2v
108	H2Br+	protonated hydrogen bromide	2A1	C2v
109	H2I+	Iodonium
110	Ne	Neon atom
111	Kr	Krypton atom	1S	Kh
112	Kr+	Krypton cation	2P	Kh
113	Xe	Xenon atom	1S	Kh
114	HeLi+	Helium Lithium cation
115	ArH+	Argon hydride cation	1Σ	C∞v
116	KrH+	Protonated Krypton	1Σ	C∞v
117	XeH+	Xenon, protonated	1Σ	C∞v
118	NaLi	lithium sodium	1Σ	C∞v
119	Na2	Sodium diatomic	1Σg	D∞h
120	Na2-	sodium diatomic anion	2Σu	D∞h
121	LiAl	Lithium Aluminum
122	HBBH	Diborane(2)	3ΣG	D∞h
123	B2H4	Diborane(4) D2d	1A1	D2d
124	B2H6	Diborane	1Ag	D2h
125	B2H6+	Diborane cation
126	CaC	Calcium monocarbide
127	GeC	Germanium monocarbide	1Σ	C∞v
128	SiGe	Silicon Germanium
129	C2H2+	acetylene cation	2Πu	D∞h
130	C2H2+	acetylene cation
131	H2CC-	vinylidene anion
132	HCCH-	acetylene anion
133	HCCH-	acetylene anion
134	Si2H2	disilyne
135	Si2H2	disilyne
136	Si2H2	disilyne
137	Si2H2	disilyne
138	CH3Li	methyl lithium	1A1	C3v
139	C2H3	vinyl	2A'	Cs
140	C2H3+	vinyl cation	1A1	C2V bridging H
141	C2H3+	vinyl cation	1A1	C2V HCCH2
142	Si2H4	Disilene
143	Si2H4	Disilene
144	Si2H4	Disilene
145	C2H5	Ethyl radical	2A'	Cs
146	Si2H6	disilane	1Eu	D3d
147	LiN	Lithium Nitride	3Σ	C∞v
148	LiP	Lithium monophosphide
149	LiP	Lithium monophosphide
150	MgN	Magnesium Nitride
151	MgN	Magnesium Nitride
152	GaAs	Gallium arsenide	3Π
153	GaAs	Gallium arsenide	1Σ
154	CN	Cyano radical	2Σ	C∞v
155	SiP	Silicon monophosphide	2Π	C∞v
156	N2	Nitrogen diatomic
157	PN	Phosphorus mononitride	1Σ	C∞v
158	HCN	Hydrogen cyanide	1Σ	C∞v
159	HCN+	hydrogen cyanide cation	2Π	C∞v
160	HNC+	hydrogen isocyanide cation
161	HCP+	Phosphaethyne cation
162	NNH+	Dinitrogen monohydride cation	1Σ	C∞v
163	LiNH2	lithium amide
164	HBNH	Boranimine	1Σ	C∞v
165	H2NN	Isodiazene
166	CH2NH	Methanimine	1A'	Cs
167	CH2NH+	Methanimine cation
168	CHNH2	aminomethylene
169	CHNH2+	Aminocarbene cation
170	BH2NH2	Boranamine
171	CH3NH2	methyl amine	1A'	Cs
172	SiH3NH2	Silane, amino
173	BH3PH3	borane phosphine
174	CH3NH3	methyl ammonium radical	2A1	C3v
175	N2H7+	ammonia ammonium dimer
176	LiSe	Lithium monoselenide
177	CaO	Calcium monoxide	1Σ	C∞v
178	CaS	Calcium sulfide	1Σ	C∞v
179	BO	boron monoxide	2Σ	C∞v
180	GaO	Gallium monoxide	2Σ	C∞v
181	GaS	Gallium monosulfide
182	CO+	carbon monoxide cation	2Σ	C∞v
183	SiO	Silicon monoxide	1Σ	C∞v
184	SiS	silicon monosulfide	1Σ	C∞v
185	CSe	Carbon monoselenide	1Σ	C∞v
186	GeO	Germanium monoxide	1Σ	C∞v
187	SiSe	Silicon Monoselenide
188	SiSe+	Silicon Monoselenide cation
189	GeSe	Germanium monoselenide
190	NO	Nitric oxide	2Π	C∞v
191	NO-	nitric oxide anion	3Σ	C∞v
192	NO+	nitric oxide cation	1Σ	C∞v
193	PS	phosphorus sulfide	2Σ	C∞v
194	O2--	dioxygen dianion
195	SO	Sulfur monoxide	3Σ	C∞v
196	SO	Sulfur monoxide	1Σ	C∞v
197	SO+	sulfur monoxide cation	2Π	C∞v
198	S2	Sulfur diatomic	3Σg	D∞h
199	SeO	Selenium monoxide	3Σ	C∞v
200	TeO	Tellurium monoxide
201	Se2	Selenium diatomic	3Σg	D∞h
202	Te2	Tellurium diatomic
203	LiOH	lithium hydroxide	1Σ	C∞v
204	KOH	Potassium hydroxide	1Σ	C∞v
205	BeOH	beryllium monohydroxide	2A'	Cs
206	HBO	Boron hydride oxide	1Σ	C∞v
207	HBS	hydrogen boron sulfide	1Σ	C∞v
208	COH	Hydroxymethylidyne
209	HCO	Formyl radical	2A'	Cs
210	HCO-	formyl anion	1A'	Cs
211	HCO+	Formyl cation	1Σ	C∞v
212	HNO	Nitrosyl hydride	1A'	Cs
213	HNO+	Nitrosyl hydride cation	2A'	Cs
214	HSO+	Sulfur Monoxide, S-protonated
215	SOH	Sulfur Hydroxide
216	SOH+	Sulfur Monoxide, protonated
217	H2CO	Formaldehyde	1A1	C2v
218	H2CO-	formaldehyde anion	2A'	Cs
219	H2CO-	formaldehyde anion
220	H2CO+	formaldehyde cation	2B2	C2v
221	H2CS	Thioformaldehyde	1A1	C2v
222	H2CS-	thioformaldehyde anion
223	H2CS-	thioformaldehyde anion
224	H2CSe	Selenoformaldehyde
225	H2O2	Hydrogen peroxide	1A	C2
226	H2O2	Hydrogen peroxide	1Ag	C2h
227	H2OO	water oxide
228	HOSH	hydrogen thioperoxide
229	H2Se2	hydrogen diselenide
230	NH2OH	hydroxylamine	1A'	Cs
231	NH2OH+	Hydroxylamine cation
232	NH2SH	Thiohydroxylamine
233	NH2SH	Thiohydroxylamine
234	NH3S	sulfidoazane
235	CH3OH	Methyl alcohol	1A'	Cs
236	CH3OH+	Methyl alcohol cation	2A"	Cs
237	SiH3OH	silanol
238	NH2OH2+	protonated hydroxylamine
239	NH3OH+	N-protonated hydroxylamine
240	H5O2+	Dihydroxonium ion	1A	C2
241	LiF	lithium fluoride	1Σ	C∞v
242	LiCl	lithium chloride	1Σ	C∞v
243	NaF+	sodium fluoride cation	2Σ	C∞v
244	LiBr	Lithium Bromide	1Σ	C∞v
245	LiI	Lithium Iodide
246	NaI	Sodium Iodide
247	LiF+	lithium fluoride cation	2Π	C∞v
248	CaBr	Calcium monobromide
249	BF	Boron monofluoride	1Σ	C∞v
250	AlF	Aluminum monofluoride	1Σ+	C∞v
251	GaF	Gallium monofluoride	1Σ	C∞v
252	AlBr	Aluminum monobromide
253	GaCl	Gallium monochloride	1ΣG	C∞v
254	AlI	Aluminum monoiodide
255	GaBr	Gallium monobromide
256	CF	Fluoromethylidyne	2Π	C∞v
257	SiCl	Clorosilylidyne	2Π	C∞v
258	CBr	Carbon monobromide	2Π	C∞v
259	GeF	Germanium monofluoride	2Π	C∞v
260	GeCl	Germanium monochloride	2Π	C∞v
261	GeCl+	Germanium monochloride cation
262	SiBr	Silicon monobromide	2Π	C∞v
263	SiBr+	Silicon monobromide cation
264	NCl	nitrogen monochloride	3Σ	C∞v
265	PBr	Phosphorus monobromide
266	ClO	Monochlorine monoxide	2Π	C∞v
267	ClO+	chlorine monoxide cation	3Σ	C∞v
268	SF	Monosulfur monofluoride	2Π	C∞v
269	SF+	sulfur monofluoride cation	3Σ	C∞v
270	SCl+	sulfur monochloride cation	3Σg	C∞v
271	BrO	Bromine monoxide	2Π	C∞v
272	BrO+	Bromine monoxide cation
273	SBr	Sulfur monobromide radical
274	SBr+	Sulfur monobromide cation
275	IO	Iodine monoxide
276	SeBr	Selenium monobromide
277	BrCl	Bromine monochloride	1Σ	C∞v
278	F2	Fluorine diatomic	1Σg	D∞h
279	F2+	flourine diatomic cation	2Πg	D∞h
280	ClF	Chlorine monofluoride	1Σ+	C∞v
281	ClF+	clorine monofluoride cation	2Π	C∞v
282	Cl2+	chlorine diatomic cation	2Πg	D∞h
283	BrF	Bromine monofluoride	1Σ	C∞v
284	IF	Iodine monofluoride	1Σ	C∞v
285	Br2	Bromine diatomic	1Σg	D∞h
286	Br2-	bromine diatomic anion	2Σu	D∞h
287	Br2+	bromine diatomic cation	2Πg	D∞h
288	ICl	Iodine monochloride	1Σ	C∞v
289	IBr	Iodine monobromide	1Σ	C∞v
290	I2	Iodine diatomic	1Σg	D∞h
291	I2+	Iodine diatomic cation	2Πg	D∞v
292	HCF	Fluoromethylene	1A'	Cs
293	HCF	Fluoromethylene	3A"	Cs
294	HSiF	fluorosilylene
295	HSiCl	Chlorosilylene
296	HSiBr	monobromosilylene
297	HOF	Hypofluorous acid	1A'	Cs
298	HOCl	hypochlorous acid	1A'	Cs
299	HOCl+	hypochlorous acid cation
300	HOI	Hypoiodous acid
301	F2H+	Fluorine, protonated	1A'	Cs
302	ClFH+	Chlorine fluoride, F-protonated
303	FClH+	Chlorine fluoride, Cl-protonated
304	Cl2H+	Chlorine, protonated	1A'	Cs
305	CH2Br	bromomethyl radical
306	CH2F	fluoromethyl radical	2A	Cs
307	CH2F+	fluoromethyl cation
308	CH2Cl+	chloromethyl cation
309	CH2Cl	chloromethyl radical	2A'	Cs
310	CH2Cl	chloromethyl radical	2B1	C2v
311	NH2Cl	chloramine	1A'	Cs
312	CH3F+	methyl fluoride cation
313	CH3Cl	Methyl chloride	1A1	C3v
314	CH3Cl+	Methyl chloride cation
315	SiH3F	monofluorosilane	1A1	C3v
316	SiH3Cl	chlorosilane	1A1	C1
317	CH3Br	methyl bromide	1A1	C3v
318	GeH3F	monofluorogermane
319	GeH3Cl	monochlorogermane
320	CH3I	methyl iodide	1A1	C3v
321	SiH3I	Silyl Iodide
322	NH3Cl+	protonated monochloroammonia
323	CH3ClH+	methyl chloride, protonated
324	NH4Cl	Ammonium chloride
325	LiNe+	Lithium Neon cation
326	Ar2	Argon diatomic	1Sg	D∞h
327	C3	carbon trimer	1Σg	D∞h
328	C3	carbon trimer	1A1	C2v
329	SiC2	Silicon dicarbide
330	C3H4	cyclopropene	1A1	C2v
331	CH2CCH2	allene	1A1	D2d
332	CH3CCH	propyne	1A'	C3v
333	CH2CHCH3	Propene	1A'	Cs
334	C3H7	n-Propyl radical	2A"	C1
335	CH3CHCH3	Isopropyl radical	2A	C2
336	C3H8	Propane	1A1	C2v
337	Si3H8	trisilane
338	ZnCN	Zinc monocyanide	2Σ	C∞v
339	ZnNC	Zinc isocyanide	2Σ	C∞v
340	AlCN	Aluminum monocyanide
341	AlNC	Aluminum isocyanide
342	CNN	Diazocarbene
343	HN3	hydrogen azide	1A'	Cs
344	HN3+	Hydrazoic acid cation
345	HNCNH	diiminomethane	1A	C2
346	HNNNH+	1,2-Triazadienium
347	NH2NN+	hydrazoic acid, protonated
348	CH3CN	Acetonitrile	1A1	C3v
349	CH3CN-	acetonitrile anion	2E	C3v
350	CH3CN-	acetonitrile anion	2A'	Cs
351	CHNCH2	2H-Azirine
352	CHNHCH	1H-Azirine
353	H2CCNH	Ethenimine
354	H2CNCH	methyleneaminomethylene
355	HCCNH2	Ethynamine
356	HCNCH2+	2H-Azirine cation
357	NH2CNH+	cyanamide, cn protonated
358	NH3CN+	cyanamide, amine protonated
359	C2H6N+	aziridine, protonated	1A1	C2v
360	CH3CH2NH2	Ethylamine
361	Na2S	Sodium sulfide
362	Na2S	Sodium sulfide
363	LiO2	Lithium dioxide
364	NaO2	Sodium superoxide
365	NCO	isocyanato radical	2Π	C∞v
366	N2O	Nitrous oxide	1Σ	C∞v
367	OCS	Carbonyl sulfide	1Σ	C∞v
368	CS2	Carbon disulfide	1Σg	D∞h
369	GeO2	Germanium dioxide	1Σg	D∞h
370	OCSe	Carbonyl selenide	1Σ	C∞v
371	SCSe	Carbon sulfide selenide
372	SCTe	Carbon sulfide Telluride
373	NSO	sulfinyl amidogen
374	SNO	Nitrogen oxide sulfide
375	SO2	Sulfur dioxide	1A1	C2v
376	SSO	Disulfur monoxide	1A'	Cs
377	S3	Sulfur trimer	1A1	C2v
378	S3	Sulfur trimer
379	SeO2	Selenium dioxide	1A1	C2v
380	TeO2	Tellurium Dioxide
381	HCCO	ketenyl radical	2Π	C∞v
382	HCCO	ketenyl radical	2A"	Cs
383	HNCS	Isothiocyanic acid
384	HSCN	thiocyanic acid	1A'	Cs
385	HOCO	Hydrocarboxyl radical	1A'	cis
386	HOCO	Hydrocarboxyl radical	1A'	trans
387	O3H+	protonated ozone	1A'	Cs
388	O3H+	protonated ozone
389	C2H2O	Oxirene	1A1	C2v
390	CH2CO	Ketene	1A1	C2v
391	CH2CS	Thioketene
392	Be(OH)2	Beryllium hydroxide
393	Be(OH)2	Beryllium hydroxide
394	HCOOH	Formic acid
395	BH3CO	Borane carbonyl	1A1	C3v
396	CH2COH+	ketene, protonated
397	HOCHNH	hydroxymethylimine	1A'	CS H all up
398	CHSNH2	thioformamide
399	NHCHSH	Methanimidothioic acid
400	C2H4O	Ethylene oxide	1A1	C2v
401	C2H4O+	ethylene oxide cation
402	CH3CHO	Acetaldehyde	1A'	Cs
403	CH3CHO+	acetaldehyde cation
404	H2COCH2+	Methyl, (methyleneoxoniumyl)-
405	C2H4S	Thiirane	1A1	C2v
406	CH2CHSH	Ethenethiol
407	CH3CHS	Thioacetaldehyde	1A'	C1
408	NH2CHOH+	Formamide, O-protonated
409	CH3SSH	Hydrogen methyl disulfide
410	HSCH2SH	Methanedithiol
411	C2H4OH+	ethylene oxide, protonated	1A'	Cs
412	NH2CH2OH	aminomethanol
413	CH3CH2SH	ethanethiol	1A'	Cs
414	CH3CH2SH	ethanethiol	1A	C1
415	CH3SCH3	Dimethyl sulfide	1A1	C2v
416	CH3SCH3+	dimethyl sulfide cation
417	BrCN	Cyanogen bromide	1Σ	C∞v
418	ICN	Cyanogen iodide	1Σ	C∞v
419	FBO	Boron monofluoride monoxide
420	BeBr2	Beryllium bromide
421	CaBr2	Calcium dibromide
422	FNO	Nitrosyl fluoride	1A'	Cs
423	ClNO	Nitrosyl chloride	1A'	Cs
424	FSN	Thiazyl fluoride	1A'	Cs
425	OPCl	Phosphorus oxychloride
426	INO	Nitrosyl iodide	1A'	Cs
427	CF2	Difluoromethylene	1A1	D∞h
428	SiF2	Silicon difluoride	1A1	C2v
429	GeCl2	Germanium dichloride	1A1	C2v
430	FOO+	Fluorine dioxide cation
431	OClO	Chlorine dioxide	2B1	D∞h
432	OClO-	Chlorine dioxide anion	1A'	Cs
433	BrOO	Bromine dioxide
434	OBrO	Bromine dioxide radical	2B1	C2v
435	PF2	Phosphorus difluoride
436	PF2+	Phosphorus difluoride cation
437	SF2	sulfur difluoride	1A1	C2v
438	SeF2	Selenium difluoride
439	SeCl2	Selenium Dichloride
440	SBr2	Sulfur dibromide
441	SeBr2	Selenium dibromide
442	Br3-	tribromide anion
443	I3-	triiodide
444	SFCl	Sulfur chloride fluoride
445	HCCF	Fluoroacetylene	1Σ	C∞v
446	CHF2	difluoromethyl radical	2A	Cs
447	CHF2+	difluoromethyl cation
448	CHFCl	Chlorofluoromethyl radical
449	CHFCl+	Chlorofluoromethyl cation
450	CHCl2+	dichloromethyl cation
451	CHBr2	dibromomethyl radical
452	NHF2	difluoramine
453	NHCl2	dichloroamine
454	CH2F2	Methane, difluoro-	1A1	C2v
455	SiH2F2	difluorosilane
456	CH2Cl2	Methylene chloride	1A1	C2v
457	CH2BrCl	Methane, bromochloro-	1A'	Cs
458	CH2FI	fluoroiodomethane
459	CH2Br2	dibromomethane	1A1	C2v
460	CH2ClI	chloroiodomethane
461	CH2BrI	bromoiodomethane
462	CH2I2	Diiodomethane
463	CH3MgBr	Methyl Magnesium Bromide
464	CH2CHF	Ethene, fluoro-	1A'	Cs
465	C2H3I	Vinyl iodide
466	CH2FOH	fluoromethanol
467	C2H5Br	Ethyl bromide	1A'	Cs
468	C2H5I	Ethyl iodide
469	XeF2	Xenon difluoride
470	C4	Carbon tetramer	3Σg	D∞h
471	C4	Carbon tetramer
472	C4H2+	diacetlyene cation	2Πg	D∞h
473	C4H4	Tetrahedrane
474	C4H6	1-Methylcyclopropene	1A	C1
475	CH2CHCH2CH3	1-Butene	1A	C1
476	CH3CH2CH2CH3	Butane	1Ag	Anti
477	As4	Arsenic tetramer	1A1	Td
478	H2CNCN	cyanamide, methylene
479	HNCCNH	Ethenediimine
480	C2H5CN	ethyl cyanide	1A'	Cs
481	H2NCHCHNH2	diaminoethylene
482	N(SiH3)3	trisilylamine
483	K2O2	dipotassium dioxide
484	ONNO	NO dimer	1Ag	trans C2H
485	ONNO	NO dimer	1A1	cis C2V
486	CS3--	Carbonotrithioate
487	SO3	Sulfur trioxide	1A1'	D3h
488	SO3--	Sulfate dianion
489	S4	Sulfur tetramer
490	S4	Sulfur tetramer
491	S4	Sulfur tetramer
492	TeO3	Tellurium trioxide
493	C3H2O	Propadienal
494	C3H2O	Propadienal
495	C2H2O2	Ethanedial	1Ag	C2h
496	CH3NCO	methylisocyante
497	HOCH2CN	cyanomethanol
498	CH3NO2	Methane, nitro-	1A'	Cs
499	H3AlO3	Aluminum hydroxide
500	CH2CHCHO	Acrolein	1A'	Cs
501	CH2CHCHO	Acrolein
502	CH2C(OH)NH2	1-amino vinyl alchohol
503	CH3C(OH)=NH	Ethaninidic acid
504	CH3CSNH2	Ethanethioamide
505	CH3CH2CHO	Propanal	1A'	Cs
506	C3H7OH	1-Propanol
507	Li2F2	Lithium fluoride dimer
508	CF2O	Carbonic difluoride	1A1	C2v
509	CF2O+	Carbonic difluoride cation
510	BF3+	boron trifluoride cation
511	BClF2	Chlorodifluoroborane
512	BCl3	Borane, trichloro-	1A1'	D3h
513	BCl3+	Boron Trichloride cation
514	GaF3	Gallium trifluoride	1A1'	D3h
515	GaCl3	Gallium trichloride	1A1'	D3h
516	CF2Cl	difluorochloromethyl radical
517	CFCl2	dichlorofluoromethyl radical
518	CBr3	tribromomethyl radical
519	SSCl2	Thiothionyl chloride
520	NF3	Nitrogen trifluoride	1A1	C3v
521	NCl3	nitrogen trichloride	1A1	C3v
522	SbF3	Antimony Trifluoride
523	SbCl3	Antimony Trichloride
524	NBr3	Nitrogen Tribromide	1A1	C3v
525	NI3	Nitrogen triiodide
526	PI3	Phosphorus triiodide
527	IF3	iodone trifluoride
528	HClO3	Chloric Acid	1A'	Cs
529	HClO3	Chloric Acid	1A	C1
530	CHF3	Methane, trifluoro-	1A1	C3v
531	SiHF3	trifluorosilane
532	CHBrF2	Methane, bromodifluoro-	1A'	Cs
533	CHBrCl2	Methane, bromodichloro-	1A'	Cs
534	CHF2I	difluoroiodomethane
535	CHBr2F	dibromofluoromethane
536	CHFClI	fluorochloroiodomethane
537	AsF3H+	Arsenic trifluoride, protonated
538	CHBrCHBr	Ethene, 1,2-dibromo-, (E)-
539	CHBrCHBr	Ethene, 1,2-dibromo-, (Z)-
540	C2H4F2	1,2-difluoroethane	1Ag	C2H anti
541	C2H4F2	1,2-difluoroethane	1A	C2 gauche
542	CH3CHF2	Ethane, 1,1-difluoro-	1A'	Cs
543	CH2BrCH2Cl	1-bromo-2-chloroethane
544	CH2BrCH2Cl	1-bromo-2-chloroethane
545	CH2BrCH2Br	Ethane, 1,2-dibromo-	1Ag	C2h
546	CH2BrCH2Br	Ethane, 1,2-dibromo-	1A	C2
547	CH2CHCH2F	Allyl Fluoride
548	CH2CHCH2F	Allyl Fluoride
549	CH3CHCHF	trans-1-Fluoro-1-propene
550	CH2FCH2OH	2-fluoroethanol
551	CH2FCH2CH3	1-Fluoropropane
552	CH3CHFCH3	2-Fluoropropane	1A'	Cs
553	B5H9	pentaborane9
554	C5H4	pentatetraene
555	C5H8	Bicyclo[1.1.1]pentane
556	C4H5N	Pyrrole	1A1	C2v
557	C3O2	Carbon suboxide	1ΣG	D∞h
558	B2O3	diboron trioxide
559	B2O3	diboron trioxide
560	CHOOCHO	diformyl ether
561	C3H3NO	Isoxazole	1A'	Cs
562	C3H3NS	Thiazole
563	C4H4Se	selenophene
564	HCOOC2H5	Ethyl formate	1A'	Cs
565	C2H6O2S	Dimethyl sulfone	1A1	C2v
566	C4H8S	Thiophene, tetrahydro-	1A	C1
567	C4H10O	Methyl propyl ether	1A	C1
568	C4H9SH	1-Butanethiol
569	CF3Cl	Methane, chlorotrifluoro-	1A1	C3v
570	CF2Cl2	difluorodichloromethane	1A1	C2v
571	CF3Br	Bromotrifluoromethane	1A1	C3v
572	GeF4	Germanium tetrafluoride	1A1	Td
573	CBrCl2F	bromodichlorofluoromethane
574	CBr2ClF	dibromochlorofluoromethane
575	CBr2Cl2	dibromodichloromethane	1A1	C2v
576	CCl3I	trichloroiodomethane
577	CFClBrI	fluorochlorobromoiodomethane
578	CBr3Cl	tribromochloromethane	1A1	C3v
579	CF2I2	difluorodiiodomethane
580	CBr4	Carbon tetrabromide	1A1	Td
581	CCl2I2	dichlorodiiodomethane
582	CI4	tetraiodomethane
583	SiI4	silicon tetraiodide
584	SF4	Sulfur tetrafluoride	1A1	C2v
585	SeF4	Selenium tetrafluoride
586	SCl4	Sulfur tetrachloride
587	CH2ClCCCl	1,3-dichloropropyne
588	CHCl2CCH	3,3-dichloropropyne
589	CHCl2CHO	dichloroacetaldehyde
590	CHF2CH2F	Ethane, 1,1,2-trifluoro	1A	C1
591	CHF2CH2F	Ethane, 1,1,2-trifluoro	1A'	Cs
592	CH2CClCHCH2	1,3-Butadiene, 2-chloro-
593	CH2FCH2CH2F	1,3-difluoropropane
594	CH3CCl2CH3	Propane, 2,2-dichloro-	1A1	C2v
595	XeF4	Xenon tetrafluoride
596	C2H2N2O	Furazan
597	C6H6	Prismane
598	C6H6	1,2,4,5-Hexatetraene	1Ag	C2h
599	C6H6	Dewar Benzene
600	N3P3	1,3,5,2,4,6-Triazatriphosphorine
601	N2O4	Dinitrogen tetroxide	1Ag	D2d
602	C3H2O3	vinylene carbonate
603	C4H6O2	γ–Butyrolactone	1A	C1
604	C3H6O3	1,3,5-Trioxane	1A1	C1
605	C5H10O	3-Pentanone	1A1	C2v
606	C4F2	difluorobutadiyne
607	C2ClF3	Ethene, chlorotrifluoro-
608	C2Br4	tetrabromoethene
609	SiF5-	silicon pentafluoride anion
610	IF5	pentafluoroiodine
611	CH2ClCCl3	1,1,1,2-tetrachloroethane
612	CHCl2CHCl2	Ethane, 1,1,2,2-tetrachloro-
613	CH2BrCBr3	1,1,1,2-tetrabromo ethane
614	CH(CN)3	tricyanomethane
615	HN=C=C(CN)2	Dicyanoketenimine
616	C6H12O	Oxepane
617	F2CCCF2	tetrafluoroallene
618	SF6	Sulfur Hexafluoride	1A1G	Oh
619	C6H5CHO	benzaldehyde	1A'	Cs
620	C3F6	hexafluoropropene
621	C8H18O	1-Octanol
622	C10H10	bullvalene
623	B12H12--	Dodecahydrododecaborate(2-)

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	h2
8	H2-	hydrogen diatomic anion	h2-
9	H2+	Hydrogen cation	h2+
10	HD	Deuterium hydride	hd
11	H3+	hydrogen trimer cation	h3+
12	He-	Helium atom anion	he-
13	HeH	Helium hydride	heh
14	Li	Lithium atom	li
15	Li-	Lithium atom anion	li-
16	Li+	Lithium atom cation	li+
17	Na	Sodium atom	na
18	Na-	Sodium atom anion	na-
19	Na+	Sodium atom cation	na+
20	K-	Potassium atom anion	k-
21	K+	Potassium atom cation	k+
22	Cu	Copper atom	cu
23	Cu-	Copper atom anion	cu-
24	Cu+	Copper atom cation	cu+
25	LiH	Lithium Hydride	lih
26	LiH-	lithium hydride anion	lih-
27	LiH+	lithium hydride cation	lih+
28	NaH	sodium hydride	nah
29	NaH-	sodium hydride anion	nah-
30	NaH+	sodium hydride cation	nah+
31	KH+	Potassium hydrogen cation	kh+
32	CuH	Copper monohydride	cuh
33	Be	Beryllium atom	be
34	Be-	Beryllium atom anion	be-
35	Be+	Beryllium atom cation	be+
36	Mg	Magnesium atom	mg
37	Mg-	Magnesium atom anion	mg-
38	Mg+	Magnesium atom cation	mg+
39	Ca	Calcium atom	ca
40	Ca-	Calcium atom anion	ca-
41	Ca+	Calcium atom cation	ca+
42	Zn	Zinc atom	zn
43	Zn-	Zinc atom anion	zn-
44	Zn+	Zinc atom cation	zn+
45	BeH	beryllium monohydride	beh
46	BeH-	berylium monohydride anion	beh-
47	BeH+	beryllium monohydride cation	beh+
48	MgH-	magnesium monohydride anion	mgh-
49	MgH+	magnesium monohydride cation	mgh+
50	CaH	Calcium monohydride	cah
51	CaH+	Calcium monohydride cation	cah+
52	TiH	Titanium monohydride	tih
53	ZnH	Zinc monohydride	znh
54	BeH2	beryllium dihydride	beh2
55	MgH2	magnesium dihydride	mgh2
56	CaH2	Calcium Hydride	cah2
57	ZnH2	Zinc hydride	znh2
58	B	Boron atom	b
59	B-	Boron atom anion	b-
60	B+	Boron atom cation	b+
61	Al	Aluminum atom	al
62	Sc	Scandium atom	sc
63	Sc+	Scandium cation	sc+
64	BH	Boron monohydride	bh
65	BH-	boron monohydride anion	bh-
66	BH+	boron monohydride cation	bh+
67	AlH	aluminum monohydride	alh
68	AlH-	aluminum monohydride anion	alh-
69	AlH+	aluminum monohydride cation	alh+
70	ScH	Scandium monohydride	sch
71	ScH+	Scandium monohydride cation	sch+
72	BH2	boron dihydride	bh2
73	BH2-	boron dihydride anion	bh2-
74	BH2+	Boron dihydride cation	bh2+
75	AlH2	aluminum dihydride	alh2
76	AlH2-	aluminum dihydride anion	alh2-
77	AlH2+	aluminum dihydride cation	alh2+
78	BH3	boron trihydride	bh3
79	BH3-	boron trihydride anion	bh3-
80	AlH3	aluminum trihydride	alh3
81	AlH3+	aluminum trihydride cation	alh3+
82	ScH3	Scandium trihydride	sch3
83	GaH3	Gallium trihydride	gah3
84	BH4	borohydride	bh4
85	AlH4-	Aluminum tetrahydride anion	alh4-
86	C-	Carbon atom anion	c-
87	C+	Carbon atom cation	c+
88	Si	Silicon atom	si
89	Si+	Silicon atom cation	si+
90	Ti	Titanium atom	ti
91	Ti-	Titanium atom anion	ti-
92	Ti+	Titanium atom cation	ti+
93	CH-	methylidyne anion	ch-
94	CH+	Methylidyne cation	ch+
95	SiH-	silicon monohydride anion	sih-
96	SiH+	silicon monohydride cation	sih+
97	GeH+	Germaniun monohyrdide cation	geh+
98	CH2	Methylene	ch2
99	CH2+	methylene cation	ch2+
100	SiH2	silicon dihydride	sih2
101	SiH2-	silicon dihydride anion	sih2-
102	SiH2+	silicon dihydride cation	sih2+
103	GeH2-	germylene anion	geh2-
104	CH3	Methyl radical	ch3
105	CH3-	methyl anion	ch3-
106	CH3+	methyl cation	ch3+
107	SiH3-	Silyl anion	sih3-
108	CD4	methane-d4	cd4
109	CH2D2	methane-d2	ch2d2
110	CH3D	methane-d	ch3d
111	CH4	Methane	ch4
112	CH4-	Methane anion	ch4-
113	CH4+	Methane cation	ch4+
114	CHD3	methane-d3	chd3
115	SiH4	Silane	sih4
116	SiH4+	Silane cation	sih4+
117	N-	Nitrogen atom anion	n-
118	N+	Nitrogen atom cation	n+
119	P-	Phosphorus atom anion	p-
120	P+	Phosphorus atom cation	p+
121	V	Vanadium atom	v
122	V+	Vanadium atom cation	v+
123	NH	Imidogen	nh
124	NH-	Imidogen anion	nh-
125	NH+	imidogen cation	nh+
126	PH-	phosphorus monohydride anion	ph-
127	PH+	phosphorus monohydride cation	ph+
128	AsH+	Arsenic monohydride cation	ash+
129	ND2	Amidogen-d2	nd2
130	NH2-	amino anion	nh2-
131	PH2	Phosphino radical	ph2
132	PH2-	Phosphino anion	ph2-
133	PH2+	Phosphino cation	ph2+
134	AsH2	Arsenic dihydride	ash2
135	AsH2+	Arsenic dihydride cation	ash2+
136	ND3	Ammonia-d3	nd3
137	NH3	Ammonia	nh3
138	NH3-	Ammonia anion	nh3-
139	NH3+	ammonia cation	nh3+
140	NH4+	ammonium cation	nh4+
141	PH4+	phosphonium cation	ph4+
142	O-	Oxygen atom anion	o-
143	O+	Oxygen atom cation	o+
144	S	Sulfur atom	s
145	S-	Sulfur atom anion	s-
146	S+	Sulfur atom cation	s+
147	Cr	Chromium atom	cr
148	DO	Hydroxyl-d	od
149	OH-	hydroxide anion	oh-
150	DS	Mercapto-d	ds
151	HS	Mercapto radical	hs
152	CrH	Chromium hydride	crh
153	CrH+	Chromium hydride cation	crh+
154	D2O	Deuterium oxide	d2o
155	D2S	Hydrogen sulfide-d2	d2s
156	H2S	Hydrogen sulfide	h2s
157	H2S-	Hydrogen sulfide anion	h2s-
158	H2S+	Hydrogen sulfide cation	h2s+
159	H3O+	hydronium cation	h3o+
160	F-	Fluorine atom anion	f-
161	F+	Fluorine atom cation	f+
162	Cl-	Chlorine atom anion	cl-
163	Cl+	Chlorine atom cation	cl+
164	Mn	Manganese atom	mn
165	DF	Hydrofluoric acid-d	df
166	DCl	Hydrochloric acid-d	dcl
167	H2F+	dihydrogen fluoride cation	h2f+
168	Ne	Neon atom	ne
169	Ne-	Neon atom anion	ne-
170	Ne+	Neon atom cation	ne+
171	Ar	Argon atom	ar
172	Ar-	Argon atom anion	ar-
173	Ar+	Argon atom cation	ar+
174	Fe	Iron atom	fe
175	NeH	neon hydrogen	neh
176	NeH+	neon hydrogen cation	neh+
177	H2Ar	H2 Ar dimer	h2ar
178	Co	Cobalt atom	cobalt
179	Ni	Nickel atom	ni
180	Li2	Lithium diatomic	li2
181	Li2-	lithium diatomic anion	li2-
182	Li2+	lithium diatomic cation	li2+
183	NaLi-	lithium sodium anion	lina-
184	NaLi+	lithium sodium cation	lina+
185	LiK	Lithium Potassium	lik
186	Na2+	sodium diatomic cation	na2+
187	NaK	Sodium Potassium	nak
188	NaK+	Sodium Potassium diatomic cation	nak+
189	K2	Potassium diatomic	k2
190	Cu2	Copper diatomic	cu2
191	LiBe	Lithium Beryllium	libe
192	LiMg	Lithium magnesium	limg
193	NaBe	Sodium Beryllium	nabe
194	NaMg	Sodium Magnesium	namg
195	Be2	Beryllium diatomic	be2
196	Be2-	Beryllium diatomic anion	be2-
197	Be2+	Beryllium diatomic cation	be2+
198	BeMg	Beryllium Magnesium	bemg
199	Mg2	Magnesium diatomic	mg2
200	Mg2-	magnesium diatomic anion	mg2-
201	Mg2+	magnesium diatomic cation	mg2+
202	Ca2	Calcium diatomic	ca2
203	LiB	Lithium boride	lib
204	NaAl	Sodium aluminum	naal
205	BeB	Beryllium monoboride	beb
206	B2	Boron diatomic	b2
207	B2-	Boron diatomic anion	b2-
208	B2+	Boron diatomic cation	b2+
209	BAl	Boron Aluminum	bal
210	Al2	Aluminum diatomic	al2
211	Al2-	aluminum diatomic anion	al2-
212	Al2+	aluminum diatomic cation	al2+
213	BGa	Boron Gallium	bga
214	AlGa	Aluminum Gallium	alga
215	Ga2	Gallium diatomic	ga2
216	LiBH4	Lithium borohydride	libh4
217	HBHHBH	Diborane(4) C2V	hbhhbh
218	Al2H6	dialane	al2h6
219	Ga2H6	digallane	ga2h6
220	LiC	Lithium Carbide	lic
221	BeC	Beryllium Carbide	bec
222	BC	boron monocarbide	bc
223	BC-	boron monocarbide anion	bc-
224	BC+	boron monocarbide cation	bc+
225	AlC	Aluminum carbide	alc
226	BSi	Boron silicide	bsi
227	C2	Carbon diatomic	c2
228	C2-	carbon diatomic anion	c2-
229	C2+	carbon diatomic cation	c2+
230	SiC	silicon monocarbide	sic
231	SiC-	silicon monocarbide anion	sic-
232	SiC+	silicon monocarbide cation	sic+
233	Si2	Silicon diatomic	si2
234	Si2-	silcon diatomic anion	si2-
235	Si2+	silcon diatomic cation	si2+
236	Ge2	Germanium diatomic	ge2
237	C2H	Ethynyl radical	c2h
238	C2H-	Ethynyl anion	c2h-
239	C2H+	Ethynyl cation	c2h+
240	ZnCH2	Zinc methylene	znch2
241	C2H2	Acetylene	c2h2
242	CCH2	vinylidene	vinylidene
243	CuCH3	monomethyl copper	cuch3
244	ZnCH3	Zinc monomethyl	znch3
245	CH2BH	methyleneborane	ch2bh
246	C2H3-	vinyl anion	c2h3-
247	C2H4	Ethylene	c2h4
248	C2H4-	Ethylene anion	c2h4-
249	C2H4+	Ethylene cation	c2h4+
250	CH3CH	methylmethylene	ch3ch
251	CH2SiH2	silaethylene	ch2sih2
252	CH3BH2	methylborane	ch3bh2
253	C2H5-	Ethyl anion	c2h5-
254	C2H5+	Ethyl cation	c2h5+
255	C2H6	Ethane	c2h6
256	C2H6+	ethane cation	c2h6+
257	CH3SiH3	methyl silane	ch3sih3
258	GeH3CH3	methyl germane	geh3ch3
259	C2H7+	Ethane, protonated	c2h7+
260	LiN+	Lithium Nitride cation	lin+
261	BeN	Beryllium mononitride	ben
262	BeN-	Beryllium mononitride anion	ben-
263	BeN+	Beryllium mononitride cation	ben+
264	BN-	boron nitride anion	bn-
265	AlN-	aluminum mononitride anion	aln-
266	AlN+	aluminum mononitride cation	aln+
267	BP	Boron monophosphide	bp
268	AlP	Aluminum monophosphide	alp
269	GaN	Gallium mononitride	gan
270	GaP	Gallium monophosphide	gap
271	BN	boron nitride	bn
272	BN+	boron nitride cation	bn+
273	AlN	Aluminum nitride	aln
274	CN-	cyanide anion	cn-
275	CN+	Cyano cation	cn+
276	CP	Carbon monophosphide	cp
277	CP-	carbon monophosphide anion	cp-
278	CP+	carbon monophosphide cation	cp+
279	SiN	Silicon nitride	sin
280	SiN-	silicon mononitride anion	sin-
281	SiN+	silicon mononitride cation	sin+
282	SiP-	Silicon monophosphide anion	sip-
283	SiP+	Silicon monophosphide cation	sip+
284	TiN	Titanium mononitride	tin
285	N2	Nitrogen diatomic	n2
286	N2-	nitrogen diatomic anion	n2-
287	N2+	diatomic nitrogen cation	n2+
288	PN-	phosphorus nitride anion	pn-
289	PN+	phosphorus nitride cation	pn+
290	P2	Phosphorus diatomic	p2
291	P2-	phosphorus diatomic anion	p2-
292	P2+	phosphorus diatomic cation	p2+
293	AsN	Arsenic mononitride	asn
294	AsP	Arsenic monophosphide	asp
295	SbN	Antimony nitride	sbn
296	As2	Arsenic diatomic	as2
297	HNB	hydrogen nitrogen boron	hnb
298	HNC	hydrogen isocyanide	hnc
299	HCN-	Hydrogen cyanide anion	hcn-
300	HCP	Phosphaethyne	hcp
301	NNH	Dinitrogen monohydride	nnh
302	HPO	Hydrogen phosphorus oxide	hpo
303	HPO+	Hydrogen phosphorus oxide cation	hpo+
304	CNH2	Aminomethylidyne radical	cnh2
305	CNH2+	N-protonated hydrogen isocyanide	cnh2+
306	H2CN	Dihydrogen cyanide radical	h2cn
307	H2CN+	hydrocyanonium cation	h2cn+
308	HCNH	methyleneazane	hcnh
309	HCNH+	N-protonated HCN	hcnh+
310	N2H2	(E)-diazene	n2h2
311	N2H2	(Z)-Diazene	n2h2z
312	N2H2+	trans-diazene cation	n2h2+
313	CH2PH	Phosphaethene	ch3p
314	CH2NH2+	methyleneamine cation	ch2nh2+
315	N2H4	Hydrazine	n2h4
316	N2H4+	hydrazine cation	n2h4+
317	P2H4	Diphosphine	p2h4
318	CH3NH2+	methyl amine cation	ch3nh2+
319	CH3PH2	Methyl phosphine	ch3ph2
320	N2H5+	protonated hydrazine	n2h5+
321	BH3NH3	borane ammonia	bh3nh3
322	CH3NH3+	protonated methylamine	ch3nh3+
323	CH3PH3+	methyl phosphine, protonated	ch3ph3+
324	NH3NH3	Ammonia Dimer	nh3nh3
325	LiO	lithium oxide	lio
326	LiO-	lithium oxide anion	lio-
327	LiO+	lithium oxide cation	lio+
328	LiS	Lithium monosulfide	lis
329	LiS+	Lithium sulfide cation	lis+
330	NaO	sodium monoxide	nao
331	NaO-	sodium oxide anion	nao-
332	NaO+	sodium oxide cation	nao+
333	KO	Potassium monoxide	ko
334	KO+	Potassium monoxide cation	ko+
335	NaS	Sodium sulfide	nas
336	CuO	Copper Monoxide	cuo
337	BeO	beryllium oxide	beo
338	BeO-	Beryllium monoxide anion	beo-
339	BeO+	Beryllium monoxide cation	beo+
340	BeS	beryllium sulfide	bes
341	MgO	magnesium oxide	mgo
342	MgO-	magnesium oxide anion	mgo-
343	MgO+	magnesium oxide cation	mgo+
344	MgS	magnesium sulfide	mgs
345	MgS-	magnesium sulfide anion	mgs-
346	MgS+	magnesium sulfide cation	mgs+
347	ZnO	zinc monoxide	zno
348	ZnS	Zinc sulfide	zns
349	BeS-	Beryllium monosulfide anion	bes-
350	BeS+	Beryllium monosulfide cation	bes+
351	BO-	boron monoxide anion	bo-
352	AlO	Aluminum monoxide	alo
353	AlO-	Aluminum monoxide anion	alo-
354	AlO+	aluminum monoxide cation	alo+
355	BS	boron sulfide	bs
356	BS-	boron monosulfide anion	bs-
357	BS+	boron monosulfide cation	bs+
358	AlS	Aluminum sulfide	als
359	AlS-	aluminum monosulfide anion	als-
360	AlS+	aluminum monosulfide cation	als+
361	ScO	Scandium monoxide	sco
362	BO+	boron monoxide cation	bo+
363	CO	Carbon monoxide	co
364	CO-	carbon monoxide anion	co-
365	CS	carbon monosulfide	cs
366	CS-	carbon monosulfide anion	cs-
367	CS+	carbon monosulfide cation	cs+
368	SiO-	silicon monoxide anion	sio-
369	SiO+	silicon monoxide cation	sio+
370	SiS-	silicon monosulfide anion	sis-
371	SiS+	silicon monosulfide cation	sis+
372	TiO	Titanium monoxide	tio
373	CSe-	Carbon monoselenide anion	cse-
374	CSe+	Carbon monoselenide cation	cse+
375	GeO+	Germanium monoxide cation	geo+
376	GeS	Germanium monosulfide	ges
377	NS	Mononitrogen monosulfide	ns
378	NS-	nitrogen sulfide anion	ns-
379	NS+	nitrogen sulfide cation	ns+
380	PO	Phosphorus monoxide	po
381	PO-	phosphorus monoxide anion	po-
382	PO+	phosphorus monoxide cation	po+
383	PS-	phosphorus monosulfide anion	ps-
384	PS+	phosphorus monosulfide cation	ps+
385	VO	Vanadium monoxide	vo
386	AsO	Arsenic monoxide	aso
387	NSe	Nitrogen monoselenide	nse
388	AsS	Arsenic monosulfide	ass
389	PSe	Phosphorus monoselenide	pse
390	AsSe	Arsenic monoselenide	asse
391	O2	Oxygen diatomic	o2
392	O2-	oxygen diatomic anion	o2-
393	O2+	diatomic oxygen cation	o2+
394	SO-	sulfur monoxide anion	so-
395	S2-	sulfur diatomic anion	s2-
396	S2+	sulfur diatomic cation	s2+
397	SeO-	selenium monoxide anion	seo-
398	SeO+	selenium monoxide cation	seo+
399	SeS	Selenium monosulfide	ses
400	SeS-	selenium monosulfide anion	ses-
401	SeS+	selenium monosulfide cation	ses+
402	Se2-	selenium diatomic anion	se2-
403	Se2+	selenium diatomic cation	se2+
404	NaOH	sodium hydroxide	naoh
405	MgOH	magnesium hydroxide	mgoh
406	CaOH	Calcium monohydroxide	caoh
407	COH+	Carbon Monoxide, protonated	coh+
408	HCS	Thioformyl radical	hcs
409	HCS-	Thioformyl anion	hcs-
410	HCS+	Thioformyl cation	hcs+
411	HNO-	Nitrosyl hydride anion	hno-
412	NOH	Hydroxyimidogen	noh
413	NOH+	O-protonated nitric oxide	noh+
414	HNS	Sulfur imide	hns
415	HNS-	Sulfur imide anion	hns-
416	HO2	Hydroperoxy radical	ho2
417	HO2-	Hydroperoxy anion	ho2-
418	HO2+	Hydroperoxy cation	ho2+
419	HS2	Thiosulfeno radical	hs2
420	HOCH	hydroxycarbene	hoch
421	H2CS+	thioformaldehyde cation	h2cs+
422	H2NO	nitroxide	h2no
423	H2O2+	Hydrogen peroxide cation	h2o2+
424	H2S2	Disulfane	h2s2
425	H2S2+	hydrogen disulfide cation	h2s2+
426	CH2OH	Hydroxymethyl radical	ch2oh
427	CH2OH+	hydroxymethyl cation	ch2oh+
428	CH3O	Methoxy radical	ch3o
429	CH3O-	methoxy anion	ch3o-
430	CH3O+	Methoxy cation	ch3o+
431	CH3S	thiomethoxy	ch3s
432	H2CSH+	Thioformaldehyde, protonated	h2csh+
433	NH3O	Ammonia Oxide	nh3o
434	H2POH	Phosphinous acid	h2poh
435	H3PO	Phosphine oxide	h3po
436	H3O2+	hydrogen peroxide, protonated	h3o2+
437	CH3OH-	Methyl alcohol anion	ch3oh-
438	CH3SH	Methanethiol	ch3sh
439	CH3SH+	Methanethiol cation	ch3sh+
440	CH3SeH	Methane selenol	ch3seh
441	H2OH2O	water dimer	h2oh2o
442	CH3OH2+	Methanol, protonated	ch3oh2+
443	CH3SH2+	protonated methylsulfide	ch3sh2+
444	H2ONH3	Water Ammonia Dimer	h2onh3
445	LiCl-	lithium chloride anion	licl-
446	LiCl+	lithium chloride cation	licl+
447	NaF	sodium fluoride	naf
448	NaF-	sodium fluoride anion	naf-
449	KF	Potassium Fluoride	kf
450	NaCl	Sodium Chloride	nacl
451	NaCl-	sodium chloride anion	nacl-
452	NaCl+	sodium chloride cation	nacl+
453	KCl	Potassium Chloride	kcl
454	CuF	Copper monofluoride	cuf
455	LiBr-	lithium bromide anion	libr-
456	LiBr+	lithium bromide cation	libr+
457	CuCl	Copper monochloride	cucl
458	NaBr	Sodium Bromide	nabr
459	NaBr-	sodium bromide anion	nabr-
460	NaBr+	sodium bromide cation	nabr+
461	KBr	Potassium Bromide	kbr
462	KI	Potassium Iodide	ki
463	LiF-	lithium fluoride anion	lif-
464	BeF	Beryllium monofluoride	bef
465	BeF-	Beryllium monofluoride anion	bef-
466	BeF+	Beryllium monofluoride cation	bef+
467	BeCl	beryllium monochloride	becl
468	MgF	Magnesium monofluoride	mgf
469	MgF-	magnesium fluoride anion	mgf-
470	MgF+	magnesium fluoride cation	mgf+
471	CaF	Calcium monofluoride	caf
472	MgCl	magnesium monochloride	mgcl
473	MgCl-	magnesium monochloride anion	mgcl-
474	MgCl+	magnesium monochloride cation	mgcl+
475	CaCl	calcium monochloride	cacl
476	TiCl	Titanium Monochloride	ticl
477	ZnF	Zinc monofluoride	znf
478	ZnF-	Zinc monofluoride anion	znf-
479	ZnF+	Zinc monofluoride cation	znf+
480	ZnCl	Zinc monochloride	zncl
481	BeCl-	beryllium monochloride anion	becl-
482	BeCl+	beryllium monochloride cation	becl+
483	BF-	Boron monofluoride anion	bf-
484	BF+	Boron monofluoride cation	bf+
485	AlF-	Aluminum monofluoride anion	alf-
486	AlF+	Aluminum monofluoride cation	alf+
487	BCl	boron monochloride	bcl
488	BCl-	boron monochloride anion	bcl-
489	BCl+	boron monochloride cation	bcl+
490	AlCl	Aluminum monochloride	alcl
491	AlCl-	aluminum monochloride anion	alcl-
492	AlCl+	aluminum monochloride cation	alcl+
493	ScF	Scandium monofluoride	scf
494	BBr	Boron monobromide	bbr
495	GaF+	Gallium monofluoride cation	gaf+
496	GaCl+	Gallium monochloride cation	gacl+
497	CF-	carbon monofluoride anion	cf-
498	CF+	carbon monofluoride cation	cf+
499	CCl	carbon monochloride	ccl
500	CCl-	carbon monochloride anion	ccl-
501	CCl+	carbon monochloride cation	ccl+
502	SiF	silicon monofluoride	sif
503	SiF-	silicon monofluoride anion	sif-
504	SiF+	silicon monofluoride cation	sif+
505	SiCl-	silicon monochloride anion	sicl-
506	SiCl+	silicon monochloride cation	sicl+
507	GeF+	Germanium monofluoride cation	gef+
508	NF	nitrogen fluoride	nf
509	NF-	nitrogen monofluorine anion	nf-
510	NF+	nitrogen monofluoirde cation	nf+
511	NCl-	nitrogen monochloride anion	ncl-
512	NCl+	nitrogen monochloride cation	ncl+
513	PF	phosphorus monofluoride	pf
514	PF-	phosphorus monofluoride anion	pf-
515	PF+	phosphorus monofluoride cation	pf+
516	PCl	phosphorus chloride	pcl
517	PCl-	phosphorus monochloride anion	pcl-
518	PCl+	phosphorus monochloride cation	pcl+
519	AsF	Arsenic monofluoride	asf
520	NBr	nitrogen monobromide	nbr
521	AsCl	Arsenic monochloride	ascl
522	SbF	Antimony monofluoride	sbf
523	SbCl	Antimony monochloride	sbcl
524	FO	Oxygen monofluoride	fo
525	FO-	flourine oxide anion	fo-
526	FO+	fluorine monoxide cation	fo+
527	ClO-	chlorine monoxide anion	clo-
528	SF-	sulfur monofluoride anion	sf-
529	SCl	sulfur monochloride	scl
530	SCl-	sulfur monochloride anion	scl-
531	BrO-	Bromine monoxide anion	bro-
532	SeF	Selenium monofluoride	sef
533	SeCl	Selenium monochloride	secl
534	F2-	flourine diatomic anion	f2-
535	ClF-	clorine monofluoride anion	clf-
536	Cl2	Chlorine diatomic	cl2
537	Cl2-	chlorine diatomic anion	cl2-
538	BrF-	bromine fluoride anion	brf-
539	BrF+	bromine fluoride cation	brf+
540	BrCl-	bromine chloride anion	brcl-
541	BrCl+	bromine chloride cation	brcl+
542	HCCl	Chloromethylene	hccl
543	CHBr	bromomethylene	chbr
544	DOCl	Hypochlorous acid-d	docl
545	HOBr	Hypobromous acid	hobr
546	HOBr+	Hypobromous acid cation	hobr+
547	FHF	Hydrogen difluoride	fhf
548	FHF-	Hydrogen difluoride anion	fhf-
549	NH2F	monofluoroamine	nh2f
550	H2F2	Hydrogen fluoride dimer	h2f2
551	CD3F	methylfluoride-d3	cd3f
552	CH3F	Methyl fluoride	ch3f
553	CD3Cl	methyl chloride d3	cd3cl
554	SiH3Br	bromosilane	sih3br
555	Ne2	Neon diatomic	ne2
556	Ne2+	Neon diatomic cation	ne2+
557	Ar2+	Argon diatomic cation	ar2+
558	Li3	Lithium trimer	li3
559	Li3+	Lithium trimer cation	li3+
560	C3+	carbon trimer cation	c3+
561	C3H3	cyclopropenyl radical	cpr
562	C3H3	Propargyl radical	propargyl
563	C3H3-	Propargyl anion	c3h3-
564	C3H3+	cyclopropenyl cation	cpr+
565	C3H3+	Propargyl cation	c3h3+
566	C3H5	Allyl radical	allyl
567	C3H5+	Allyl cation	allyl+
568	CH3CHCH	1-propenyl radical	ch3chch
569	Zn(CH3)2	dimethyl zinc	dmz
570	C3H6	Cyclopropane	c3h6
571	C3H7+	cyclopropane, protonated	c3h7+
572	CH3CHCH3+	Isopropyl cation	prop2yl+
573	SiH2(CH3)2	dimethylsilane	dms
574	LiCN	lithium cyanide	licn
575	NaCN	Sodium Cyanide	nacn
576	KCN	Potassium cyanide	kcn
577	CuCN	Copper cyanide	cucn
578	CN2	3H-Diazirin-3-ylidene	cn2
579	NCN	Cyanoimidogen	ncn
580	N3	azide radical	n3
581	N3-	azide anion	n3-
582	N3+	azide cation	n3+
583	HCCN	cyanomethylene	hccn
584	HCNN	diazomethyl radical	hcnn
585	CH2N2	diazirine	ch2n2
586	CH2NN	diazomethane	ch2nn
587	NH2CN	cyanamide	cyanamide
588	CH3CN+	Acetonitrile cation	ch3cn+
589	CH3NC	methyl isocyanide	ch3nc
590	HNCNH2+	diiminomethane, protonated	hncnh2+
591	NCNH3+	Cyanamide, protonated	ncnh3+
592	CH2CHNH	vinylazine	ch2chnh
593	CH3CHN	methylmethaniminyl radical	ch3chn
594	NHCHNH2	aminomethanimine	cn2h4
595	C2H5N	Aziridine	c2h5n
596	CH2CHNH2	aminoethene	aminoethene
597	CH2NCH3	N-methylmethanimine	nmm
598	CH3CHNH	ethanimine	ethanimine
599	NH2BHNH2	diaminoborane	nh2bhnh2
600	C2H5NH+	Protonated Aziridine	c2h5nh+
601	NH2CH2NH2	diaminomethane	nh2ch2nh2
602	CH3NHCH3	Dimethylamine	ch3nhch3
603	CH3PHCH3	dimethylphosphine	ch3phch3
604	NH2CH2NH3+	diaminoethane, protonated	pdam
605	(CH3)2NH2+	dimethylammonium cation	dmam
606	CH3CH2NH3+	ethylamine, protonated	pea
607	Li2O	dilithium oxide	li2o
608	Li2O+	dilithium oxide cation	li2o+
609	Li2S	dilithium sulfide	li2s
610	Na2O	disodium monoxide	na2o
611	CCO	Dicarbon monoxide	cco
612	CNO-	fulminate	cno-
613	NCO-	cyanate	nco-
614	SCN	thiocyanato radical	scn
615	SCN-	thiocyanide anion	scn-
616	BO2	Boron dioxide	bo2
617	BO2-	Boron dioxide anion	bo2-
618	BO2+	Boron dioxide cation	bo2+
619	N2O-	Nitrous oxide anion	n2o-
620	N2O+	Nitrous oxide cation	n2o+
621	NNS	Nitrogen sulfide	nns
622	PPO	Phosphorus oxide phosphide	ppo
623	CO2	Carbon dioxide	co2
624	CO2-	Carbon dioxide anion	co2-
625	CO2+	Carbon dioxide cation	co2+
626	OCS+	Carbonyl sulfide cation	cos+
627	SiO2	silicon dioxide	sio2
628	CS2-	Carbon disulfide anion	cs2-
629	CS2+	Carbon disulfide cation	cs2+
630	TiO2	Titanium dioxide	tio2
631	SiS2	Silicon disulfide	sis2
632	GeS2	Germanium disulfide	ges2
633	CSe2	Carbon diselenide	cse2
634	NO2	Nitrogen dioxide	no2
635	NO2-	Nitrogen dioxide anion	no2-
636	NO2+	Nitrogen dioxide cation	no2+
637	PO2	Phosphorus dioxide	po2
638	PO2-	Phosphorus dioxide anion	po2-
639	PO2+	Phosphorus dioxide cation	po2+
640	AsO2	Aresenic dioxide	aso2
641	O3	Ozone	o3
642	O3-	Ozone anion	o3-
643	O3+	Ozone cation	o3+
644	SO2-	Sulfur dioxide anion	so2-
645	SO2+	Sulfur dioxide cation	so2+
646	S3-	Sulfur trimer anion	s3-
647	S3+	Sulfur trimer cation	s3+
648	SeO2+	Selenium dioxide cation	seo2+
649	CS2H+	Carbon disulfide, protonated	cs2h+
650	HCNO	fulminic acid	hcno
651	HNCO	Isocyanic acid	hnco
652	HOCN	cyanic acid	hocn
653	HCO2-	formate anion	hco2-
654	HNNO	nitrosoazane	hnno
655	HNNO+	Nitrous oxide, N-protonated	hnno+
656	NNOH+	Nitrous Oxide, O-protonated	nnoh+
657	HCOO	formate neutral radical	hcoo
658	HOCO+	Hydrocarboxyl cation	hoco+
659	HNO2	Nitrous acid	hno2
660	HNO2+	nitrous acid cation	hno2+
661	SO2H+	protonated sulfur dioxide	so2h+
662	CH2CO+	Ketene cation	ch2co+
663	HCCOH	ethynol	hccoh
664	Mg(OH)2	Magnesium dihydroxide	h2mgo2
665	NH2NO	Nitrosamide	nh2no
666	CH2O2	Dioxirane	diox
667	H2COO	Dioxymethyl radical	h2coo
668	H2COO+	dioxymethyl cation	h2coo+
669	H2O3	Hydrogen trioxide	h2o3
670	HSSSH	trisulfane	hsssh
671	NaOCH3	Sodium methoxide	naoch3
672	CH2BOH	hydroxy(methylene)borane	ch2boh
673	CH3BO	Borane, methyloxo-	ch3bo
674	CH2CHO	Vinyloxy radical	ch2cho
675	CH3CO	Acetyl radical	ch3co
676	CH3CO-	Acetyl anion	ch3co-
677	CH3CO+	acetyl cation	ch3co+
678	CH2NOH	formaldoxime	ch2noh
679	CH3NO	nitrosomethane	ch3no
680	CHONH2	formamide	formamide
681	CNOH3	1,2-oxaziridine	cnoh3
682	CH2OOH	CH2OOH radical	ch2ooh
683	CH3OO	methylperoxy radical	ch3oo
684	CH3OO-	methylperoxy anion	ch3oo-
685	CH3OO+	methylperoxy cation	ch3oo+
686	CH2CHOH	ethenol	ch2choh
687	H2CONH2+	protonated formamide	h2conh2+
688	NH3CHO+	Formamide, N-Protonated	nh3cho+
689	CH2(OH)2	methanediol	ch2o2h2
690	CH3OOH	Methyl peroxide	ch3ooh
691	H2OH2CO	water formaldehyde dimer	h2oh2co
692	CH2CH2OH	2-hydroxy ethyl radical	ch2ch2oh
693	CH3CH2O	Ethoxy radical	ethoxy
694	CH3CHOH	1-hydroxy-ethyl radical	ch3choh
695	CH3CHOH+	acetaldehyde, protonated	ch3choh+
696	CH3OCH2	methoxymethyl radical	ch3och2
697	CH3CH2OH	Ethanol	etoh
698	CH3OCH3	Dimethyl ether	meome
699	CH3SeCH3	dimethylselenide	dmse
700	CH3OHH2O	methanol water dimer	ch3ohh2o
701	H2OCH3OH	water methanol dimer	h2och3oh
702	CuF2	Copper difluoride	cuf2
703	ZnF2	Zinc difluoride	znf2
704	CNF	iso cyanogen fluoride	cnf
705	FCN	Cyanogen fluoride	fcn
706	ClCN	chlorocyanogen	clcn
707	BeF2	Beryllium fluoride	bef2
708	MgF2	Magnesium fluoride	mgf2
709	BeCl2	Beryllium chloride	becl2
710	MgCl2	Magnesium dichloride	mgcl2
711	CaCl2	Calcium Chloride	cacl2
712	ZnCl2	Zinc dichloride	zncl2
713	CaF2	Calcium difluoride	caf2
714	FCO	Carbonyl fluoride	fco
715	FCO+	Carbonyl fluoride cation	fco+
716	ClCO	carbonyl monochloride	clco
717	BF2	Boron difluoride radical	bf2
718	FNS	Thionitrosyl fluoride	fns
719	BrNO	Nitrosyl bromide	brno
720	CF2-	Difluoromethylene anion	cf2-
721	CF2+	Difluoromethylene cation	cf2+
722	CFCl	chlorofluoromethylene	cfcl
723	SiF2+	Silicon difluoride cation	sif2+
724	CCl2	dichloromethylene	ccl2
725	CCl2-	dichloromethylene anion	ccl2-
726	CCl2+	dichloromethylene cation	ccl2+
727	SiCl2	Dichlorosilylene	sicl2
728	GeF2	Germanium difluoride	gef2
729	CBr2	dibromomethylene	cbr2
730	FOO	Dioxygen monofluoride radical	foo
731	ClOO	chloroperoxy radical	cloo
732	ClOO+	chloroperoxy cation	cloo+
733	OClO+	Chlorine dioxide cation	oclo+
734	ClSO	Sulfur chloride oxide	clso
735	ClS2	Sulfur chloride	cls2
736	NF2	Difluoroamino radical	nf2
737	NF2+	Difluoroamino cation	nf2+
738	FClO	chlorosyl fluoride	fclo
739	F2O	Difluorine monoxide	f2o
740	ClOF	Chlorine hypofluorite	clof
741	SF2-	sulfur difluoride anion	sf2-
742	SF2+	sulfur difluoride cation	sf2+
743	Cl2O	Dichlorine monoxide	cl2o
744	SCl2	Sulfur dichloride	scl2
745	BrOCl	Bromine hypochlorite	brocl
746	BrOBr	Bromine oxide	brobr
747	F3-	trifluoride anion	f3-
748	Cl3-	trichloride anion	cl3-
749	HCCF+	fluoroacetylene cation	hccf+
750	HCCCl	Chloroacetylene	hcccl
751	HCCBr	bromoacetylene	hccbr
752	HFCO	formyl fluoride	hfco
753	HFCO+	formyl fluoride cation	hfco+
754	COHCl	Formyl chloride	cohcl
755	COHBr	Formyl bromide	cohbr
756	BHF2	Difluoroborane	bhf2
757	BHCl2	Borane, dichloro-	bhcl2
758	CHCl2	dichloromethyl radical	chcl2
759	HOClO	Chlorous acid	hoclo
760	CH2FCl	fluorochloromethane	ch2fcl
761	CH2BrF	Methane, bromofluoro-	ch2fbr
762	SiH2Cl2	dichlorosilane	sih2cl2
763	CH2CHF+	fluoroethene cation	ch2chf+
764	C2H3Cl	Ethene, chloro-	ch2chcl
765	C2H3Br	vinyl bromide	c2h3br
766	CH3OCl	methyl hypochlorite	ch3ocl
767	CH2CH2Cl	2-chloroethyl radical	ch2ch2cl
768	CHClCH3	1-chloroethyl radical	chclch3
769	C2H5F	fluoroethane	c2h5f
770	CH3CH2Cl	Ethyl chloride	c2h5cl
771	CH3SiFH2	fluoromethylsilane	ch3sifh2
772	KrF2	Krypton difluoride	krf2
773	B4H10	Tetraborane(10)	b4h10
774	C4+	Carbon tetramer cation	c4+
775	C4H2	Diacetylene	c4h2
776	C2H3CCH	1-Buten-3-yne	c2h3cch
777	C4H4	cyclobutadiene	cbd
778	H2CCCCH2	Butatriene	h2cccch2
779	C4H6	Cyclobutene	c822355
780	C4H6	Methylenecyclopropane	c6142730
781	CH2CCHCH3	1,2-Butadiene	butad12
782	CH2CHCHCH2	1,3-Butadiene	c106990
783	CH3CCCH3	2-Butyne	c503173
784	CHCCH2CH3	1-Butyne	c107006
785	CH3CHCHCH2	methylallyl radical	c4h7
786	C4H8	methylcyclopropane	mcp
787	CH2C(CH3)CH3	1-Propene, 2-methyl-	isobute
788	CH3CHCHCH3	2-Butene, (E)-	bute2e
789	CH3CHCHCH3	2-Butene, (Z)-	bute2z
790	B(CH3)3	trimethylborane	bme3
791	Al(CH3)3	trimethyl aluminum	tma
792	C(CH3)3	Tert-butyl radical	tbutyl
793	CH2CH(CH3)2	Isobutyl radical	isobutyl
794	CH3CHCH2CH3	2-Butyl radical	butyl2
795	CH3CH(CH3)CH3	Isobutane	isobutane
796	SiH(CH3)3	trimethylsilane	trimsi
797	Li3N	trilithium nitride	li3n
798	C2N2	Cyanogen	c2n2
799	C2N2+	Cyanogen cation	c2n2+
800	P4	Phosphorus tetramer	p4
801	HCCCN	Cyanoacetylene	hcccn
802	HCCCN+	Cyanoacetylene cation	hcccn+
803	C3H3N	acrylonitrile	ch2chcn
804	C3H3N+	acrylonitrile cation	ch2chcn+
805	CH3N3	methyl azide	ch3n3
806	NH2CCNH2	Diaminoacetylene	daa
807	NH2CH2CN	Aminoacetonitrile	aan
808	CH3NHN2+	methyl azide, protonated	ch3nhn2+
809	CH5N3	Guanidine	guanidine
810	C4H6	Bicyclo[1.1.0]butane	c157335
811	CH3NNCH3	(Z)-1,2-Dimethyldiazene	dmdiazz
812	CH6N3+	guanidinium	ch6n3+
813	C3H7N	Cyclopropylamine	cpram
814	CH7N3	triaminomethane	tam
815	C3H7N	Azetidine	azet
816	C4H8	cyclobutane	cbutane
817	C2H8N2	Ethylenediamine	ethdiam
818	CH3NHNHCH3	dimethyl hydrazine	dmh
819	CH3CH(NH2)CH3	2-Propanamine	pram2
820	N(CH3)3	Trimethylamine	trimeam
821	NH2CH2CH2CH3	1-Propanamine	pram1
822	P(CH3)3	trimethylphosphine	tmp
823	As(CH3)3	trimethyl arsine	tmas
824	(CH3)3NH+	protonated trimethyl amine	ptma
825	C3H7NH3+	n-propylamine, protonated	c3h7nh2
826	Li2O2	dilithium dioxide	li2o2
827	Na2O2	disodium dioxide	na2o2
828	C3O	Tricarbon monoxide	c3o
829	B2O2	Diboron dioxide	b2o2
830	S2N2	Disulfur dinitride	s2n2
831	CO3	Carbon trioxide	co3
832	CO3--	carbonate	co3--
833	NO3	Nitrogen trioxide	no3
834	NO3-	nitrate anion	no3-
835	NO3+	nitrogen trioxide cation	no3+
836	SO3-	Sulfur trioxide anion	so3-
837	SO3+	Sulfur trioxide cation	so3+
838	SeO3	selenium trioxide	seo3
839	HCO3-	bicarbonate anion	hco3-
840	HNO3	Nitric acid	hno3
841	HSO3	Hydroxysulfonyl radical	hso3
842	NH2NO2	nitramide	nh2no2
843	C2H2CO	cyclopropenone	c2h2co
844	HCCCHO	2-propynal	hcccho
845	C2H2O2+	Ethanedial cation	c2h2o2+
846	H2CO3	Carbonic acid	h2co3
847	H2CS3	thiocarbonic acid	h2cs3
848	H2NO3+	Nitric Acid, Protonated	h2no3+
849	H2SO3	Sulfurous acid	h2so3
850	C2H3NO	Nitrosoethylene	c2h3no
851	CH3COO-	acetate anion	ch3coo-
852	CH3ONO	Methyl nitrite	ch3ono
853	NH2COOH	Carbamic acid	nh2cooh
854	H3BO3	Boric acid	h3bo3
855	H3CO3+	carbonic acid, protonated	h3co3+
856	C3H4O	2-Propyn-1-ol	c107197
857	C3H4O	allenol	c9000071
858	C3H4O	Cyclopropanone	cpone
859	C3H4O	Methylketene	c6004440
860	NH2CONH2	Urea	urea
861	NH2CONH2+	Urea cation	urea+
862	NH2CSNH2	Thiourea	thiourea
863	C2H4O2	1,3-dioxetane	c2h4o2
864	CH3COOH	Acetic acid	ch3cooh
865	CH3OCHO	methyl formate	ch3ocho
866	CHOCH2OH	hydroxy acetaldehyde	haa
867	NH2COOH2+	Carbamic acid, O-protonated	nh2cooh2+
868	NH3COOH+	protonated Carbamic acid	nh3cooh+
869	H2OHCOOH	Water formic acid dimer 1	h2ohcooh_10
870	H2OHCOOH	Water formic acid dimer 2	h2ohcooh_11
871	HCOOHH2O	Formic acid water dimer	hcoohh2o
872	HOCH2OOH	hydroxy methyl peroxide	hoch2ooh
873	CH3COCH2	Acetonyl radical	ch3coch2
874	CH3CHNOH	Acetaldoxime	acetaldoxime
875	CH3CONH2	Acetamide	acetamide
876	HCONHCH3	N-methylformamide	nmfa
877	CH5N2O+	urea, N-protonated	ch4n2o+
878	H2NCOHNH2+	urea, protonated	ureah+
879	C2H5OO	ethylperoxy radical	c2h5oo
880	CH3NNCH3	(E)-1,2-Dimethyldiazene	dmdiaze
881	C3H5OH	Cyclopropanol	cproh
882	C3H6O	2-Propen-1-ol	c107186
883	C3H6O	Acetone enol	enol
884	C3H6O	Oxetane	oxetane
885	C3H6O	Propylene oxide	prox
886	CH3COCH3	Acetone	acetone
887	CH3COCH3-	acetone anion	ch3coch3-
888	C3H6S	Thietane	thietane
889	C3H6S	Thiirane, methyl-	methiirane
890	CH3CSCH3	Thioacetone	ch3csch3
891	C2H6O2	1,2-Ethanediol	ethdiol
892	CH3OOCH3	dimethylperoxide	dmp
893	CH3SOCH3	Dimethyl sulfoxide	dmso
894	CH2SHCH2SH	1,2-Ethanedithiol	ethdisl
895	CH3SSCH3	Disulfide, dimethyl	ch3ssch3
896	CH3COHCH3+	acetone, protonated	acetoneh+
897	HOCH2CH2NH2	monoethanolamine	mea
898	CH3CHOHCH3	Isopropyl alcohol	isoproh
899	CH3OC2H5	Ethane, methoxy-	etome
900	C3H7SH	1-Propanethiol	prsh
901	CH3CHSHCH3	2-Propanethiol	isoprsh
902	CH3SCH2CH3	Ethane, (methylthio)-	etsme
903	H2OCH3OCH3	water dimethylether dimer	h2och3och3
904	Na2F2	Sodium Fluoride Dimer	na2f2
905	Na2Cl2	Disodium dichloride	na2cl2
906	C2F2	difluoroacetylene	c2f2
907	C2Cl2	dichloroacetylene	c2cl2
908	C2Cl2+	dichloroacetylene cation	c2cl2+
909	FNO2	Nitryl fluoride	fno2
910	FONO	Nitrosyl hypofluorite	fono
911	ClNO2	Nitryl chloride	clno2
912	ClONO	chlorine nitrite	clono
913	BrONO	Bromine nitrite	brono
914	N2F2	(Z)-Difluorodiazene	n2f2_z
915	N2F2	Dinitrogen difluoride, (E)-	n2f2_e
916	COFCl	Carbonic chloride fluoride	cofcl
917	CCl2O	Phosgene	cl2co
918	Cl2CS	Thiophosgene	cl2cs
919	COBr2	Carbonic dibromide	cobr2
920	BF3	Borane, trifluoro-	bf3
921	BF3-	Borane, trifluoro- anion	bf3-
922	AlF3	Aluminum trifluoride	alf3
923	AlF2Cl	Aluminum chloride difluoride	alclf2
924	ScF3	Scandium trifluoride	ScF3
925	AlFCl2	Aluminum dichloride fluoride	alcl2f
926	AlCl3	Aluminum trichloride	alcl3
927	BBr3	Boron tribromide	bbr3
928	AlBr3	Aluminum Bromide	albr3
929	ClO3	Chlorine trioxide	clo3
930	ClO3-	chlorate anion	clo3-
931	BrO3-	Bromate anion	bro3-
932	CF3	Trifluoromethyl radical	cf3
933	CF3-	Trifluoromethyl anion	cf3-
934	CF3+	Trifluoromethyl cation	cf3+
935	SiF3	Silicon trifluoride radical	sif3
936	SiF3+	Silicon trifluoride cation	sif3+
937	CCl3	Trichloromethyl radical	ccl3
938	CCl3-	Trichloromethyl anion	ccl3-
939	CCl3+	Trichloromethyl cation	ccl3+
940	SiCl3	trichlorosilyl radical	sicl3
941	SiCl3+	trichlorosilyl cation	sicl3+
942	FOOF	Perfluoroperoxide	foof
943	ClO2F	Chloryl fluoride	clo2f
944	F2SO	Thionyl Fluoride	f2so
945	ClOOCl	Dichlorine dioxide	cloocl
946	FSSF	Difluorodisulfane	fssf
947	S2F2	Thio-thionyl fluoride	s2f2
948	SOCl2	thionyl chloride	socl2
949	SeOCl2	selenium oxychloride	seocl2
950	NF3-	Nitrogen trifluoride anion	nf3-
951	NF3+	Nitrogen trifluoride cation	nf3+
952	PF3	Phosphorus trifluoride	pf3
953	AsF3	Arsenic trifluoride	asf3
954	PCl3	Phosphorus trichloride	pcl3
955	AsCl3	Arsenous trichloride	ascl3
956	PBr3	Phosphorus tribromide	pbr3
957	AsBr3	Arsenic tribromide	asbr3
958	ClSSCl	Disulfur dichloride	s2cl2
959	SF3	Sulfur trifluoride	sf3
960	ClF3	Chlorine trifluoride	clf3
961	BrF3	Bromine trifluoride	brf3
962	CHF2Cl	difluorochloromethane	chf2cl
963	CHFCl2	fluorodichloromethane	chfcl2
964	CDCl3	trichloromethane-d	cdcl3
965	CHCl3	Chloroform	chcl3
966	SiHCl3	Trichlorosilane	sihcl3
967	CHFClBr	fluorochlorobromomethane	chfclbr
968	CHCl2I	dichloroiodomethane	chcl2i
969	CHClBr2	Methane, dibromochloro-	chclbr2
970	CHBr3	bromoform	chbr3
971	CHI3	Iodoform	chi3
972	NF3H+	protonated nitrogen trifluoride	nf3h+
973	C2H2F2	Ethene, 1,2-difluoro-, (E)-	c2h2f2e
974	C2H2F2	Ethene, 1,2-difluoro-, (Z)-	c2h2f2z
975	CH2CF2	Ethene, 1,1-difluoro-	ch2cf2
976	C2H2ClF	1-chloro-1-fluoroethylene	c2h2clf
977	CHFCHCl	(E)-1-chloro-2-fluoroethene	chfchcle
978	CHFCHClz	(Z)-1-Chloro-2-fluoroethene	chfchclz
979	CH2CCl2	Ethene, 1,1-dichloro-	ch2ccl2
980	CHClCHCl	Ethene, 1,2-dichloro-, (E)-	chclchcle
981	CHClCHCl	Ethene, 1,2-dichloro-, (Z)-	chclchclz
982	C2H2Br2	1,1-dibromoethene	c2h2br2
983	CH2FCHO	Fluoroacetaldehyde	ch2fcho
984	CH3COF	Acetyl fluoride	ch3cof
985	CH2ClCHO	chloroacetaldehyde	ch2clcho
986	CH3COCl	Acetyl Chloride	ch3cocl
987	CH2FCH2Cl	Ethane, 1-chloro-2-fluoro-	ch2fch2cl
988	CH3CHFCl	Ethane, 1-chloro-1-fluoro-	ch3chfcl
989	CH2ClCH2Cl	Ethane, 1,2-dichloro-	ch2clch2cl
990	CH3CHCl2	Ethane, 1,1-dichloro-	ch3chcl2
991	CH2CFCH3	2-fluoropropene	2fpro
992	C3H5Cl	1-Propene, 3-chloro-	prop1cl3
993	C3H5Cl	1-chloro-1-propene(E)	prop1cl1e
994	C3H5Cl	1-chloro-1-propene(Z)	prop1cl1z
995	CH2ClCH2OH	2-Chloroethanol	ch2clch2oh
996	CH2ClCH2OH2+	2-chloroethanol, protonated	ch2clch2oh2+
997	CH2ClCH2CH3	Propane, 1-chloro-	prcl1
998	CH3CHClCH3	Propane, 2-chloro-	prcl2
999	CH3CH2CH2Br	n-propyl bromide	prbr
1000	CH3CHBrCH3	i-propyl bromide	iprbr
1001	C3H9O+	trimethyl oxonium cation	c3h9o+
1002	C5H5	cyclopentadienyl radical	c5h5
1003	C5H5-	cylopentadienyl anion	c5h5-
1004	C5H6	1,3-Cyclopentadiene	c542927
1005	C5H6	1-Buten-3-yne, 2-methyl-	c78808
1006	C5H6	3-Penten-1-yne, (E)-	c2004695
1007	C5H6	3-Penten-1-yne, (Z)-	c1574409
1008	C5H6	Bicyclo[2.1.0]pent-2-ene	c5164352
1009	C5H6	Cyclopropylacetylene	c6746947
1010	C5H6	Propellane	propellane
1011	C5H7	1,3-pentadienyl radical	pdyl
1012	C5H7	cyclopentenyl radical	cpyl
1013	C5H8	1,2-Butadiene, 3-methyl-	c598254
1014	C5H8	1,2-Pentadiene	c591957
1015	C5H8	1,3-Butadiene, 2-methyl-	c78795
1016	C5H8	1,3-Pentadiene, (E)-	c2004708
1017	C5H8	1,3-Pentadiene, (Z)-	c1574410
1018	C5H8	1,4-Pentadiene	c591935
1019	C5H8	1-pentyne	a1pentyne
1020	C5H8	2,3-Pentadiene	c591968
1021	C5H8	Cyclobutane, methylene-	c1120565
1022	C5H8	Cyclopentene	c142290
1023	C5H8	Ethenylcyclopropane	c693867
1024	CH3CCCH2CH3	2-Pentyne	2pentyne
1025	C5H10	1-Butene, 2-methyl-	c563462
1026	C5H10	2-Butene, 2-methyl-	c513359
1027	C5H10	2-Pentene, (E)-	c646048
1028	C5H10	2-Pentene, (Z)-	c627203
1029	C5H10	Cyclopentane	c287923
1030	C5H10	Cyclopropane, 1,1-dimethyl-	c1630940
1031	CH2CHCH2CH2CH3	1-pentene	pentene
1032	C5H11	2-Methylbut-2-yl radical	c4348350
1033	C5H12	Butane, 2-methyl-	buta2
1034	C5H12	Pentane	pentane
1035	C5H12	Propane, 2,2-dimethyl-	neopentane
1036	Si(CH3)4	tetramethylsilane	tms
1037	N2O3	Dinitrogen trioxide	n2o3
1038	C3H2N2	Malononitrile	c3h2n2
1039	CH2N4	1H-Tetrazole	1htz
1040	C3H3N2	imidazolyl radical	im
1041	C3H3N2-	imidizolyl anion	im-
1042	C2H3N3	1H-1,2,4-Triazole	c288880
1043	C4H4N	pyrrolide radical	c4h4n
1044	C4H4N-	pyrrolide anion	c4h4n-
1045	C3H4N2	1H-Imidazole	1himidaz
1046	C3H4N2	1H-Pyrazole	1hpyraz
1047	C3H4N2	2H-Imidazole	imid2h
1048	C3H4N2	4H-Imidazole	imid4h
1049	C4H5N	(E)-2-Butenenitrile	c627269
1050	C4H5N	(Z)-2-Butenenitrile	c1190767
1051	C4H5N	2H-pyrrole	pyrrole2
1052	C4H5N	3H-pyrrole	pyrrole3
1053	C4H5N	Cyclopropanecarbonitrile	c5500210
1054	CH2CHCH2CN	Allylcyanide	ch2chch2cn
1055	C4H6N+	pyrrole, alpha-protonated	appyr
1056	C4H6N+	pyrrole, beta-protonated	bppyr
1057	C4H6N+	pyrrole, protonated	ppyr
1058	C3H6N2	3-Aminopropionitrile	c151188
1059	CH3CH(CH3)CN	Propanenitrile, 2-methyl-	c4h7n
1060	CH3CH2CH2CN	Butanenitrile	c109740
1061	C5H8	Bicyclo[2.1.0]pentane	c185944
1062	C5H8	Spiropentane	c157404
1063	C4H9N	Cyclobutylamine	cbam
1064	C4H9N	Pyrrolidine	pyrrolidine
1065	C3H10N2	1,2-Diaminopropane	diampr12
1066	C(CH3)3NH2	2-Propanamine, 2-methyl-	c75649
1067	C(NH2)H2C(CH3)HCH3	1-Propanamine, 2-methyl-	c78819
1068	C(NH2)H2CH2CH2CH3	1-Butanamine	butam1
1069	CH3C(NH2)HCH2CH3	2-Butanamine	butam2
1070	NH(C2H5)2	diethylamine	dea
1071	NC4H12+	tetramethyl ammonium cation	nc4h12+
1072	C3O2+	Carbon suboxide cation	c3o2+
1073	MgCO3	Magnesium Carbonate	mgco3
1074	BeCO3	Beryllium Carbonate	beco3
1075	CaCO3	Calcium Carbonate	caco3
1076	ONONO	Nitrosyl nitrite	onono
1077	PO4---	phosphate	po4---
1078	SO4--	sulfate	so4--
1079	HOONO2	peroxy nitric acid	hoono2
1080	HSO4-	bisulfate anion	hso4-
1081	C2H2N2S	1,3,4-Thiadiazole	c2h2n2s
1082	C3H2O2	Propiolic acid	c3h2o2
1083	CHOCOOH	oxo acetic acid	oaa
1084	H2SO4	Sulfuric acid	h2so4
1085	H2SeO4	Selenic acid	h2seo4
1086	C3H3NO	Oxazole	oxazole
1087	CH3C(O)OO	acetyl peroxy radical	ch3coo2
1088	CH3NO3	Methyl nitrate	ch3no3
1089	H3PO4	Phosphoric Acid	h3po4
1090	C4H4O	Furan	furan
1091	C4H4O+	Furan cation	furan+
1092	CH3COCCH	3-butyn-2-one	c1423605
1093	C4H4S	Thiophene	furans
1094	C3H4O2	β–Propiolactone	beta
1095	C3H4O2	2-Propenoic acid	propenoic2
1096	C3H4O2	Methyl glyoxal	megly
1097	C3H4O2	propanedial	propanedial
1098	C3H4O2	propenalol	propenalol
1099	HOCHCCHOH	allenediol	aldiol
1100	C2H4O3	1,2,3-trioxolane	c2h4o3
1101	C2H4O3	trioxolane124	triox
1102	HOCH2COOH	Hydroxyacetic acid	hac
1103	CH2CHCONH2	Acrylamide	c79061
1104	CH3OCH2CN	Methoxyacetonitrile	c1738369
1105	CH5N3S	Hydrazinecarbothioamide	c79196
1106	H2NCH2COOH	Glycine	glycine
1107	CH3SO2NH2	methanesulfonamide	ch3so2nh2
1108	C4H6O	cis-2-butenal	butenal2c
1109	C4H6O	Cyclobutanone	cbutone
1110	C4H6O	Furan, 2,3-dihydro-	furan23h
1111	C4H6O	Furan, 2,5-dihydro-	furan25h
1112	CH2CHOCHCH2	Vinyl ether	vinylether
1113	CHOCHCHCH3	2-Butenal	butenal2
1114	C4H6S	Thiophene, 2,3-dihydro-	thiop23h
1115	C4H6S	Thiophene, 2,5-dihydro-	thiop25h
1116	CH2CHSCHCH2	Divinyl sulfide	divis
1117	C2H6N2O	Urea, methyl-	c598505
1118	C3H6O2	1,3-Dioxolane	dioxolane
1119	CH3CH2COOH	Propanoic Acid	propanoic
1120	CH3COOCH3	methyl acetate	aame
1121	CH3SSSCH3	dimethyl trisulfide	c2h6s3
1122	C3H7NO	dimethylformamide	dmf
1123	C3H7NO	Propanamide	propanam
1124	C2H3OC2H5	Ethene, ethoxy-	c109922
1125	C4H8O	Cyclobutanol	c2919235
1126	C4H8O	Furan, tetrahydro-	thf
1127	CH2C(CH3)OCH3	1-Propene, 2-methoxy-	pre1meo2
1128	CH3COCH2CH3	2-Butanone	buta2one
1129	CHOCH(CH3)CH3	Propanal, 2-methyl-	c78842
1130	CHOCH2CH2CH3	Butanal	butanal
1131	C3H8O2	1,3-Propanediol	c504632
1132	C3H8O2	Hydroperoxide, 1-methylethyl	c3031752
1133	C3H8O2	Methane, dimethoxy-	c109875
1134	C3H8O2	Propylene glycol	c57556
1135	C3H8S2	1,3-Propanedithiol	c109808
1136	C4H10O	1-Butanol	butanol1
1137	C4H10O	1-Propanol, 2-methyl-	c78831
1138	C4H10O	2-Butanol, (.+/-.)-	butanol2
1139	C4H10O	Ethanol, 1,1-dimethyl-	tbuoh
1140	C4H10O	Ethoxy ethane	etoet
1141	C4H10O	Propane, 2-methoxy-	c598538
1142	C4H10O+	1-Butanol cation	butanol1+
1143	C(CH3)3SH	2-Propanethiol, 2-methyl-	tbush
1144	C2H5SC2H5	Diethyl sulfide	etset
1145	CH2(SH)CH(CH3)CH3	1-Propanethiol, 2-methyl-	c513440
1146	CH3C(SCH3)HCH3	Propane, 2-(methylthio)-	mesipr
1147	CH3CH(SH)CH2CH3	2-Butanethiol	butansl2
1148	FNO3	Fluorine nitrate	fno3
1149	ClONO2	Chlorine nitrate	clono2
1150	BrONO2	Bromine nitrate	brono2
1151	TiCl4	Titanium tetrachloride	ticl4
1152	ClO4-	perchlorate anion	clo4-
1153	BF4-	tetrafluoroboron anion	bf4-
1154	ClFO3	Perchloryl fluoride	clfo3
1155	SO2F2	Sulfuryl fluoride	so2f2
1156	SO2Cl2	Sulfuryl chloride	so2cl2
1157	F3NO	Nitrogen trifluoride oxide	f3no
1158	F3PO	Phosphoryl fluoride	pf3o
1159	Cl3PO	Phosphoryl chloride	pcl3o
1160	CF4	Carbon tetrafluoride	cf4
1161	SiF4	Silicon tetrafluoride	sif4
1162	TiF4	Titanium tetrafluoride	tif4
1163	CFCl3	Trichloromonofluoromethane	cfcl3
1164	CCl4	Carbon tetrachloride	ccl4
1165	CCl4+	Carbon tetrachloride cation	ccl4+
1166	CBrClF2	Methane, bromochlorodifluoro-	cbrclf2
1167	SiCl4	Silane, tetrachloro-	sicl4
1168	CF3I	trifluoroiodomethane	cf3i
1169	CBrCl3	Methane, bromotrichloro-	cbrcl3
1170	CBr2F2	Methane, dibromodifluoro-	cbr2f2
1171	GeCl4	Germanium Tetrachloride	gecl4
1172	CFBr3	fluorotribromomethane	cfbr3
1173	SiBr4	Silicon tetrabromide	sibr4
1174	CBr3I	tribromoiododmethane	cbr3i
1175	GeBr4	Germanium tetrabromide	gebr4
1176	ClOF3	Chlorine trifluoride oxide	clof3
1177	C2HF3	Trifluoroethylene	c2hf3
1178	C2HF3+	Trifluoroethylene cation	c2hf3+
1179	CHClCCl2	Trichloroethylene	chclccl2
1180	CHBrCF2	1-Bromo-2,2-difluoroethylene	chbrcf2
1181	HClO4	perchloric acid	hclo4
1182	HSO3F	Fluorosulfonic acid	hso3f
1183	CF3OH	trifluoromethanol	cf3oh
1184	CHClCCHCl	1,3-dichloroallene	chclcchcl
1185	PF3CH2	phosphorane, trifluoromethylene-	pf3ch2
1186	CH3CF3	Ethane, 1,1,1-trifluoro-	ch3cf3
1187	CH3CF2Cl	1-Chloro-1,1-Difluoroethane	ch3cf2cl
1188	CH3CFCl2	1,1-Dichloro-1-fluoroethane	ch3cfcl2
1189	CH2ClCHCl2	1,1,2-trichloroethane	ch2clchcl2
1190	CH3CCl3	Ethane, 1,1,1-trichloro-	ch3ccl3
1191	SiCl3CH3	methyltrichlorosilane	sicl3ch3
1192	CH3CBr3	1,1,1-tribromoethane	ch3cbr3
1193	NH3BCl3	Amminetrichloroboron	nh3bcl3
1194	SiH3CCl3	(trichloromethyl)silane	sih3ccl3
1195	C3H5ClO	Oxirane, (chloromethyl)-	c106898
1196	CH3CF2CH3	2,2-difluoropropane	ch3cf2ch3
1197	CH2ClCH2CH2Cl	1,3-dichloropropane	prdicl13
1198	CH2ClCHClCH3	Propane, 1,2-dichloro-	prdicl12
1199	CHCl2CH2CH3	1,1-dichloropropane	prdicl11
1200	SiCl2(CH3)2	dichlorodimethylsilane	sicl2me2
1201	CH2CClCH2CH3	1-Butene, 2-chloro-	bute1cl2
1202	CH2CHCH2CH2Cl	1-Butene, 4-chloro-	bute1cl4
1203	CH2CHCHClCH3	1-Butene, 3-chloro-	bute1cl3
1204	CH2ClCHCHCH3	2-Butene, 1-chloro-	bute2cl1
1205	CH3CClCHCH3	2-Butene, 2-chloro-, (E)-	bute2cl2e
1206	CH3CClCHCH3	2-Butene, 2-chloro-, (Z)-	bute2cl2z
1207	CHClCHCH2CH3	(E)-1-Chloro-1-butene	bute1cl1
1208	CHClCHCH2CH3	(Z)-1-Chloro-1-butene	bute1cl1z
1209	C4H9F	1-fluorobutane	butaf1
1210	CH3CHFCH2CH3	2-fluorobutane	butaf2
1211	CH2ClCH2CH2CH3	Butane, 1-chloro-	butacl1
1212	CH3CCl(CH3)CH3	Propane, 2-chloro-2-methyl-	procl2me2
1213	CH3CHClCH2CH3	Butane, 2-chloro-	butacl2
1214	CF3PH2	phosphine, (trifluoromethyl)-	cf3ph2
1215	NH3BF3	Amminetrifluoroboron	nh3bf3
1216	C6H2	hexatriyne	c6h2
1217	C6H4	(E)-Hexa-1,5-diyne-3-ene	c6h4e
1218	C6H4	(Z)-Hexa-1,5-diyne-3-ene	c6h4z
1219	C6H4	Benzyne	benzyne
1220	C6H5	phenyl	phenyl
1221	C6H5-	phenyl anion	phenyl-
1222	C6H6	2,4-Hexadiyne	hexadiyne
1223	C6H6	3,4-Dimethylenecyclobutene	cb34m
1224	C6H6	Benzene	benzene
1225	C6H6	Benzvalene	bv
1226	C6H6	Hexa-1,5-diene-3-yne	hdy153
1227	C6H6	Trimethylenecycopropane	tmcp
1228	C6H6+	Benzene cation	c6h6+
1229	C6H7+	benzene, protonated	c6h7+
1230	C6H8	(E)-hexa-1,3,5-triene	c821078
1231	C6H8	(E)-hexa-2,3,4-triene	c59660650
1232	C6H8	(Z)-hexa-1,3,5-triene	hexatri135
1233	C6H8	(Z)-hexa-2,3,4-triene	hetr234c
1234	C6H8	1,3-Cyclohexadiene	cyhexadiene13
1235	C6H8	1,4-Cyclohexadiene	cyhexadiene14
1236	C6H8	3-Methylenecyclopentene	c930267
1237	C6H8	Bicyclo[2.1.1]hex-2-ene	c822413
1238	C6H8	Bicyclo[2.2.0]hex-1(4)-ene	c30830207
1239	C6H8	Bicyclo[3.1.0]hex-2-ene	c694019
1240	C6H10	1,3-Hexadiene, (E)-	hexdi13e
1241	C6H10	1,3-Hexadiene, (Z)-	hexdi13z
1242	C6H10	1,4-Hexadiene, (E)-	hexdi14t
1243	C6H10	1,4-Hexadiene, (Z)-	hexdi14z
1244	C6H10	1,5-Hexadiene	c592427
1245	C6H10	1-Butyne, 3,3-dimethyl-	c917920
1246	C6H10	1-Hexyne	hexyne1
1247	C6H10	2,4-Hexadiene, (E,E)-	hexdi24ee
1248	C6H10	2,4-Hexadiene, (E,Z)-	hexdi24ez
1249	C6H10	2,4-Hexadiene, (Z,Z)-	hexdi24zz
1250	C6H10	2-Hexyne	c764352
1251	C6H10	3-Hexyne	hexyne3
1252	C6H10	cyclohexene	cyclohexene
1253	C6H10	Cyclopentene, 1-methyl-	c693890
1254	C6H10	Cyclopentene, 3-methyl-	c1120623
1255	C6H10	Cyclopentene, 4-methyl-	c1759815
1256	C4H6(CH3)2	1,1-dimethylcyclobutane	dmcb11
1257	C6H12	(1R,2R)-1,2-dimethylcyclobutane	dmcb12t
1258	C6H12	(1r,3r)-1,3-dimethylcyclobutane	dmcb13t
1259	C6H12	(E)-2-Hexene	e2hexene
1260	C6H12	(E)-3-methylpent-2-ene	c616126
1261	C6H12	(E)-hex-3-ene	e3hexene
1262	C6H12	(Z)-3-methylpent-2-ene	c922623
1263	C6H12	(Z)-hex-2-ene	z2hexene
1264	C6H12	(Z)-hex-3-ene	z3hexene
1265	C6H12	2,3-dimethylbut-1-ene	c563780
1266	C6H12	2,3-dimethyl-but-2-ene	tmeet
1267	C6H12	3-methylenepentane	c760214
1268	C6H12	cis-1,2-dimethylcyclobutane	dmcb12c
1269	C6H12	cis-1,3-dimethylcyclobutane	dmcb13c
1270	C6H12	Cyclohexane	cyclohexane
1271	C6H12	Cyclopentane, methyl-	c96377
1272	C6H12	Ethylcyclobutane	c4806615
1273	C6H12	hex-1-ene	hexene1
1274	C6H14	Butane, 2,2-dimethyl-	buta22
1275	C6H14	Butane, 2,3-dimethyl-	buta23
1276	C6H14	Hexane	hexane
1277	C6H14	Pentane, 2-methyl-	penta2
1278	C6H14	Pentane, 3-methyl-	penta3
1279	C4N2	2-Butynedinitrile	c4n2
1280	C4H2N2	Fumaronitrile	c4h2n2
1281	C2H2N4	sym-tetrazine	ttz
1282	C3H3N3	1,3,5-Triazine	triazine135
1283	CH3N5	5-Aminotetrazole	c4418615
1284	C4H4N2	1,3-Diazine	diazine13
1285	C4H4N2	Pyrazine	pyrazine
1286	C4H4N2	Pyridazine	pyridazine
1287	C4H4N2	Succinonitrile	c110612
1288	C2H4N4	1H-Tetrazole, 1-methyl-	c16681779
1289	C2H4N4	1H-Tetrazole, 5-methyl-	c4076362
1290	C2H4N4	2H-Tetrazole, 2-methyl-	c16681780
1291	C5H5N	Bicyclo[1.1.0]butane-1-carbonitrile	bibucn
1292	C5H5N	E-2,4-pentadienenitrile	bdcn
1293	C5H5N	Pyridine	pyridine
1294	B3N3H6	borazine	borazine
1295	C6H6	Fulvene	fulvene
1296	C5H6N+	Pyridinium	c5h6n
1297	C4H6N2	1H-Imidazole, 2-methyl-	c693981
1298	C5H7N	(E)-2-Pentenenitrile	c26294984
1299	C5H7N	(E)-3-Pentenenitrile	c16529661
1300	C5H7N	(Z)-2-Pentenenitrile	c25899507
1301	C5H7N	1H-Pyrrole, 1-methyl-	c96548
1302	C5H7N	Cyclobutanecarbonitrile	c4426113
1303	C5H9N	1,2,3,6-Tetrahydropyridine	c694053
1304	C5H9N	Butanenitrile, 2-methyl-	c18936179
1305	C5H9N	Pentanenitrile	c110598
1306	C5H9N	Propanenitrile, 2,2-dimethyl-	c630182
1307	C6H10	Bicyclo[3.1.0]hexane	c285585
1308	C5H11N	Cyclopentanamine	cypentam
1309	C5H11N	Piperidine	piper
1310	C4H12N2	1,2-Butanediamine	c4426486
1311	C4H12N2	2-Methyl-1,2-propanediamine	c811938
1312	Li2CO3	Lithium Carbonate	li2co3
1313	Na2CO3	Sodium Carbonate	na2co3
1314	C2O4--	oxalate anion	c2o4
1315	MgSO4	Magnesium Sulfate	mgso4
1316	C2H2O4	Oxalic Acid	oxalic
1317	C2H3NO3	Oxamic acid	oxamic
1318	C4H4O2	2(5H)-Furanone	furanone
1319	C4H4O2	2-Oxetanone, 4-methylene-	c674828
1320	C2H4N2O2	Oxalamide	oxalamide
1321	C2H4N2S2	Ethanedithioamide	c79403
1322	C2H4CO3	Ethylene carbonate	etco3
1323	C3H4O2S	2H-Thiete-1,1-dioxide	c7285327
1324	C3H4S3	1,3-Dithiolane-2-thione	c822388
1325	C2H4O4	Formic acid dimer	fadimer
1326	C4H5NO	3-Methylisoxazole	isox3m
1327	C4H5NO	Isoxazole, 5-methyl-	c5765446
1328	C4H5NS	4-Methylthiazole	c693958
1329	C2H5NO3	Nitric acid, ethyl ester	c625581
1330	C5H6O	2H-Pyran	pyran2
1331	C5H6O	2-methylfuran	furan2m
1332	C5H6O	3-Methylfuran	furan3m
1333	C5H6O	Pentadienal	pdal
1334	C5H6S	Thiophene, 2-methyl-	c554143
1335	C5H6S	Thiophene, 3-methyl-	c616444
1336	C4H6O2	2,3-Butanedione	c431038
1337	C4H6O2	2-Propenoic acid, methyl ester	c96333
1338	C4H6O2	Crotonic Acid	crot
1339	C4H6OS	2,3-dihydrothiophene-2-ol	c9000117
1340	C4H6OS	2,5-dihydrothiophene-3-ol	c9000093
1341	C4H6OS	4,5-dihydrothiophene-2-ol	c9000106
1342	C4H6OS	4,5-dihydrothiophene-3-ol	c9000082
1343	C4H6OS	Dihydro-2-(3H)-thiophenone	c1003107
1344	C4H6OS	Dihydro-3-(2H)-thiophenone	c1003049
1345	C4H6OS	Vinyl sulfoxide	c1115157
1346	CH6N4S	Carbonothioic dihydrazide	thiacarb
1347	C2H6N2O2	(E)-Azodioxymethane	c37765154
1348	C2H6N2O2	Dimethylnitroamine	c4164287
1349	C3H6S3	1,3,5-Trithiane	c3h6s3
1350	C3H6S3	Carbonotrithioic acid, dimethyl ester	c2314489
1351	C2H6O3S	Sulfurous acid, dimethyl ester	c616422
1352	C4H7NO	2-Pyrrolidinone	c616455
1353	C4H7NO	Ethoxyacetonitrile	etoaccn
1354	C4H7NO	Methacrylamide	c79390
1355	C4H7NO	Oxazole, 4,5-dihydro-2-methyl-	c1120645
1356	HCONH2CN2H4	formamide aminomethanimine dimer	d13
1357	C3H7ONO	Propyl nitrite	prono
1358	CH3CH(CH3)ONO	Isopropyl nitrite	c541424
1359	CH3CH(NH2)COOH	Alanine	alanine
1360	CH3NHCH2COOH	Sarcosine	sarcosine
1361	NH2CH2CH2COOH	β–alanine	betaalanine
1362	NH2COOC2H5	Urethane	urethane
1363	C5H8O	2H-Pyran, 3,4-dihydro-	c110872
1364	C5H8O	Cyclopentanone	c120923
1365	C5H8O	Furan, 2,3-dihydro-5-methyl-	c1487156
1366	C5H8O	Methyl cyclopropyl ketone	c765435
1367	N(CH3)2CONH2	Urea, N,N-dimethyl-	c598947
1368	NH(CH3)CONH(CH3)	Urea, N,N'-dimethyl-	c96311
1369	NH2CONHC2H5	Urea, ethyl-	c625525
1370	C4H8O2	1,3-Dioxane	dioxan13
1371	C4H8O2	1,3-Dioxolane, 2-methyl-	c497267
1372	C4H8O2	1,4-Dioxane	dioxan14
1373	C4H8O2	Ethene, 1,1-dimethoxy-	c922690
1374	C4H8O2	Ethyl acetate	c141786
1375	C4H8OS	s-Ethyl thioacetate	c625605
1376	C3H8O3	1,2,3-Propanetriol	glycerin
1377	C3H8O2S	(Methylsulfonyl)ethane	c594434
1378	C4H9NO	Butanamide	c541355
1379	C4H9NO	Propanamide, 2-methyl-	c563837
1380	C5H10O	2-Butanone, 3-methyl-	c563804
1381	C5H10O	2H-Pyran, tetrahydro-	c142687
1382	C5H10O	2-methylbutyraldehyde	2meba
1383	C5H10O	2-Pentanone	mpk
1384	C5H10O	Cyclopentanol	c96413
1385	C5H10O	Oxetane, 3,3-dimethyl-	c6921353
1386	C5H10O	Pentanal	pal
1387	C5H10S	2H-Thiopyran, tetrahydro-	c1613510
1388	C5H10S	3-Ethylthio-1-propene	c5296628
1389	C5H10S	Cyclopentanethiol	c1679078
1390	C5H10S	Thiophene, tetrahydro-2-methyl-	c1795091
1391	C5H10S	Thiophene, tetrahydro-3-methyl-	c4740005
1392	C4H10O2	1,1-Dimethoxyethane	c534156
1393	C4H10O2	1,3-Butanediol	budiol13
1394	C4H10O2	1,4-Butanediol	budiol14
1395	C4H10O2	Ethane, 1,2-dimethoxy-	c110714
1396	C4H10OS	Diethyl sulfoxide	c70291
1397	C4H10S2	1,4-Butanedithiol	budisl14
1398	C4H11NO	Diethylhydroxylamine	c3710847
1399	C5H12O	1-Butanol, 2-methyl-	c137326
1400	C5H12O	1-Butanol, 3-methyl-	c123513
1401	C5H12O	1-Pentanol	pentanol1
1402	C5H12O	2-Butanol, 3-methyl-	c598754
1403	C5H12O	2-Pentanol	peol2
1404	C5H12O	3-Pentanol	pentan3ol
1405	C5H12O	Butane, 1-methoxy-	meobu
1406	C5H12O	Propane, 1-ethoxy-	proet
1407	C5H12O	Propane, 2-methoxy-2-methyl-	c1634044
1408	C5H12S	1-Butanethiol, 2-methyl-	c1878188
1409	C5H12S	1-Butanethiol, 3-methyl-	c541311
1410	C5H12S	1-Pentanethiol	c110667
1411	C5H12S	1-Propanethiol, 2,2-dimethyl-	c1679089
1412	C5H12S	2-Butanethiol, 2-methyl-	c1679090
1413	C5H12S	2-Butanethiol, 3-methyl-	c2084186
1414	C5H12S	Butane, 1-(methylthio)-	c628295
1415	C5H12S	Ethyl propyl sulfide	c4110503
1416	C5H12S	Propane, 2-(ethylthio)-	c5145993
1417	C5H12S	Propane, 2-methyl-2-(methylthio)-	c6163640
1418	ClCOClCO	Oxalyl chloride	oxcl
1419	CF3CN	Acetonitrile, trifluoro-	cf3cn
1420	CF3CN+	Acetonitrile, trifluoro- cation	cf3cn+
1421	B2F4	Diboron tetrafluoride	b2f4
1422	B2Cl4	Diboron tetrachloride	b2cl4
1423	C2F4	Tetrafluoroethylene	c2f4
1424	C2F4+	Tetrafluoroethylene cation	c2f4+
1425	CF2CCl2	difluorodichloroethylene	cf2ccl2
1426	CFClCClF	trans-1,2-dichloro-1,2-difluoroethylene	cfclcclf
1427	CFClCFCl	cis-1,2-dichloro-1,2-difluoroethylene	cfclcfcl
1428	C2FCl3	fluorotrichloroethene	c2fcl3
1429	C2Cl4	Tetrachloroethylene	c2cl4
1430	CF3OF	Trifluoromethylhypofluorite	cf3of
1431	SOF4	Sulfur tetrafluoride oxide	sof4
1432	PF5	Phosphorus pentafluoride	pf5
1433	AsF5	Arsenic pentafluoride	asf5
1434	PCl5	Phosphorus pentachloride	pcl5
1435	SF5	Sulfur pentafluoride	sf5
1436	SF5+	pentafluoro sulfur cation	sf5+
1437	SbCl5	Antimony pentachloride	sbcl5
1438	BrF5	bromine pentafluoride	brf5
1439	ClF5	chlorinepentafluoride	clf5
1440	CF3CHO	trifluoroacetaldehyde	cf3cho
1441	CCl3CHO	trichloroacetaldehyde	ccl3cho
1442	CHFClCHClF	ethane, 1,2-dichloro-1,2-difluoro-	chfclchclf
1443	CF3CH2F	1,1,1,2-tetrafluoroethane	cf3ch2f
1444	CHF2CHF2	1,1,2,2-tetrafluoroethane	chf2chf2
1445	CF3CH2Cl	2,2,2-Trifluoroethyl chloride	cf3ch2cl
1446	CHFClCHFCl	1,2-dichloro-1,2-difluoroethane RR	chfclchfcl
1447	CHCl2CHF2	1,1-dichloro-2,2-difluoroethane	c2h2cl2f2
1448	CF3COOH	trifluoroacetic acid	cf3cooh
1449	C4H3ClO	Furan, 2-chloro	fur2cl
1450	C4H3ClO	Furan,3-chloro	fur3cl
1451	C3H5ClO2	Carbonochloridic acid, ethyl ester	c541413
1452	C3H5Cl3	Propane, 1,2,3-trichloro-	prcl135
1453	C4H8Cl2	1,4-Dichlorobutane	c110565
1454	C4H8Cl2	Butane, 1,2-dichloro-	c616217
1455	C4H8Cl2	Butane, 1,3-dichloro-	c1190223
1456	C4H8Cl2	Butane, 2,3-dichloro-, (r*,r*)-(.+/-.)-	c2211678
1457	C4H8Cl2	Butane, 2,3-dichloro-, (r*,s*)-	c4028562
1458	C4H9ClO	1-Chloro-2-ethoxyethane	c628342
1459	C5H11Cl	Pentane, 1-chloro-	pencl1
1460	C4H8O2	Butanoic acid	bua
1461	C6H5CH2	benzyl radical	benzyl
1462	C7H7	cycloheptatrienyl radical	c7h7
1463	C7H7+	cycloheptatrienyl cation	c7h7+
1464	C6H5CH3	toluene	toluene
1465	C7H8	cycloheptatriene	cht
1466	C7H8	Norbornadiene	norbor
1467	C7H8	Quadricyclane	qucy
1468	C7H12	Norbornane	nor
1469	C7H14	cycloheptane	c7h14
1470	C7H16	2-methylhexane	2mhex
1471	C7H16	3-methylhexane	hex3m
1472	C7H16	heptane	heptane
1473	C6H7N	2-Methylpyridine	mp
1474	C6H5NH2	aniline	aniline
1475	C6H13N	2-Methylpiperidine	pip2m
1476	C6H13N	cyclohexanamine	cham
1477	C6H15N	triethylamine	tea
1478	N2O5	Dinitrogen pentoxide	n2o5
1479	C4H2O3	Maleic Anhydride	malan
1480	C5H4O2	4-Cyclopentene-1,3-dione	cpdio
1481	C5H4O2	furfural	furfural
1482	C6H5O	phenoxy radical	phenoxy
1483	C5H5NO	2(1H)-Pyridinone	c72762006
1484	C5H5NO	2(3H)-Pyridinone	c9000048
1485	C5H5NO	2(5H)-Pyridinone	c9000037
1486	C5H5NO	2-Pyridinol	c109104
1487	C5H5NO	3(2H)-Pyridinone	c9000004
1488	C5H5NO	3(4H)-Pyridinone	c9000026
1489	C5H5NO	3(6H)-Pyridinone	c9000015
1490	C5H5NO	3-Pyridinol	c109002
1491	C5H5NO	4(1H)-Pryidinone	c9000060
1492	C5H5NO	4(3H)-Pryidinone	c9000059
1493	C5H5NO	4-Pyridinol	c626642
1494	C6H5OH	phenol	phenol
1495	C6H6O	2,4-Cyclohexadienone	c24599573
1496	C6H6O	2,5-Cyclohexadienone	c5664335
1497	C6H5SH	Benzenethiol	phsh
1498	HO2CCHNH2CH2OH	Serine	serine
1499	C5H8O2	Acetylacetone	acac
1500	C4H8O2S	Sulfolane	sulfolane
1501	C7H10	Norbornene	norbornene
1502	CH(C2H3)3	trivinyl methane	tvm
1503	C6H10O	cyclohexanone	chexo
1504	C6H12O	hexanal	c6h12o
1505	C3H7OC3H7	di-n-propyl ether	propr
1506	CF3COO-	trifluoro acetate anion	cf3coo-
1507	CF3COF	trifluoroacetyl fluoride	cf3cof
1508	CF3COCl	trifluoroacetyl chloride	cf3cocl
1509	PF6	Hexafluorophosphate neutral	pf6
1510	PF6-	Hexafluorophosphate ion	pf6-
1511	SeF6	Selenium hexafluoride	sef6
1512	SF5Cl	sulfur chloropentafluoride	sf5cl
1513	CF3CHF2	pentafluoroethane	cf3chf2
1514	CF3CHFCl	1,1,1,2-tetrafluorochloroethane	cf3chfcl
1515	CF3CHCl2	1,1-Dichloro-2,2,2-trifluoroethane	cf3chcl2
1516	CHCl2CClF2	Ethane, 1,2,2-trichloro-1,1-difluoro-	chcl2cclf2
1517	CCl3CHCl2	pentachloroethane	ccl3chcl2
1518	C6H5F	Fluorobenzene	bzf
1519	C6H5Cl	chlorobenzene	bzcl
1520	C6H5Br	bromobenzene	bzbr
1521	C8H6	Calicene	calicene
1522	C6H5CCH	phenylacetylene	phac
1523	C8H6	benzocyclobutadiene	bcbd
1524	C8H6	Pentalene	pentalene
1525	C6H5CHCH2	Styrene	styrene
1526	C8H8	cubane	cubane
1527	C8H8	cyclooctatetraene	cot
1528	C6H5CH2CH3	Ethylbenzene	etbz
1529	CH3C6H4CH3	meta-xylene	mxylene
1530	CH3C6H4CH3	paraxylene	pxylene
1531	C8H14	Bicyclo[2.2.2]octane	bico222
1532	C8H16	cyclooctane	cyclooct
1533	(CH3)3CC(CH3)3	tetramethylbutane	tmb
1534	C8H18	Octane	c8h18
1535	C6H5CN	phenyl cyanide	phcn
1536	C6H12N2	Triethylenediamine	ted
1537	C4O4--	squarate dianion	c4o4--
1538	S4N4	Tetrasulfur tetranitride	s4n4
1539	S8	Octasulfur	s8
1540	C6H4O2	parabenzoquinone	pbq
1541	C4H4N2O2	Uracil	uracil
1542	C6H5OCH3	Anisole	anisole
1543	C5H9NO2	Proline	proline
1544	C6H12O2	Methyl pivalate	c598981
1545	C6H12O2	Hexanoic acid	hexa
1546	C4F4	tetrafluorcyclobutadiene	c4f4
1547	Al2Cl6	Aluminum, di-μ-chlorotetrachlorodi-	al2cl6
1548	CF3CF2Cl	pentafluorochloroethane	cf3cf2cl
1549	CF2ClCF2Cl	1,2-Dichloro-1,1,2,2-tetrafluoroethane	cf2clcf2cl
1550	CF3CFCl2	1,1-Dichlorotetrafluoroethane	cf3cfcl2
1551	CF2ClCFCl2	Ethane, 1,1,2-trichloro-1,2,2-trifluoro-	cf2clcfcl2
1552	CF3CCl3	1,1,1-trifluoro-2,2,2-trichloroethane	cf3ccl3
1553	C2F6	hexafluoroethane	c2f6
1554	C2Cl6	hexachloroethane	c2cl6
1555	IF7	Iodine heptafluoride	if7
1556	C6H4F2	metadifluorobenzene	mdfb
1557	C6H4F2	orthodifluorobenzene	odfb
1558	C6H4F2	1,4-difluorobenzene	pdfb
1559	C6H4Cl2	1,2-dichlorobenzene	dcb12
1560	C6H4Cl2	1,3-dichlorobenzene	dcb13
1561	C6H4Cl2	1,4-dichlorobenzene	dcb14
1562	C6H5NO	nitrosobenzene	bzno
1563	C9H8	Indene	indene
1564	C9H8	spiro[4.4]nona-1,3,6,8-tetraene	snt
1565	C9H12	n-propyl benzene	prbz
1566	C9H20	Nonane	nonane
1567	C(CN)4	tetracyanomethane	c5n4
1568	C5H4N4	purine	purine
1569	C8H7N	Indole	indole
1570	C3H3N3O3	cyanuric acid	cyanuric
1571	C6H5NO2	Nitrobenzene	c6h5no2
1572	C6H5COOH	benzoic acid	benzo
1573	CH3COC6H5	acetophenone	acph
1574	C3Cl3N3	1,3,5-Triazine, 2,4,6-trichloro-	c3cl3n3
1575	C6H3F3	Benzene trifluoride 123	bzf3a
1576	C10H8	Azulene	azu
1577	C10H8	naphthalene	naph
1578	C10H16	adamantane	adamantane
1579	C6N4	Tetracyanoethylene	tcne
1580	C6N4-	tetracyanoethylene anion	tcne-
1581	C10H22	Decane	decane
1582	C4F6	perfluorobutadiene	c4f6
1583	SF5CF3	Sulfur, pentafluoro(trifluoromethyl)-	sf5cf3
1584	C3F8	perfluoropropane	c3f8
1585	Fe(CO)5	Iron pentacarbonyl	ipc
1586	Fe(C5H5)2	ferrocene	fecp2
1587	B12H12--	Dodecahydrododecaborate(2-)	b12h12--
1588	C12H8	Acenaphthylene	acenaph
1589	C12H8	biphenylene	biph
1590	C12H10	biphenyl	biphenyl
1591	C12H10	Heptalene	heptalene
1592	C6H12O6	Inositol	inositol
1593	C6F6	hexafluorobenzene	c6f6
1594	S2F10	disulphur decafluoride	s2f10
1595	C13H10	Fluorene	fluorene
1596	C14H10	Anthracene	anth
1597	C14H10	Phenanthrene	phenanthrene
1598	C14H14	Bibenzyl	bibenzyl
1599	C12H10N2	azobenzene	azobenzene
1600	C6H5COC6H5	benzophenone	benzophenone
1601	C16H10	Pyrene	pyrene
1602	C18H12	Tetracene	tetracene
1603	C19H16	Triphenylmethane	tpm
1604	C24H12	Coronene	coronene
1605	C60	Buckminsterfullerene	c60