National Institute of Standards and Technology

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

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

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

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count	Species	Name	State	Conformation
1	H	Hydrogen atom	1S	Kh
2	H-	Hydrogen atom anion	2S	Kh
3	H2	Hydrogen diatomic	1Σg	D∞h
4	H2-	hydrogen diatomic anion	2Σu+	D∞h
5	He	Helium atom	1S	Kh
6	He	Helium atom
7	He+	Helium atom cation	2S	Kh
8	Li-	Lithium atom anion	1S	Kh
9	LiH	Lithium Hydride	1Σ	C∞v
10	MgH	magnesium monohydride	2Σ	C∞v
11	ZnH+	Zinc, protonated
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	AlH3-	aluminum trihydride anion		C3v
20	C	Carbon atom	3P0	Kh
21	Si-	Silicon atom anion	4S	Kh
22	Ge	Germanium atom	3P	Kh
23	Ge-	Germanium anion	4S	Kh
24	Ge+	Germanium cation	2P	Kh
25	CH	Methylidyne	2Π1/2	C∞v
26	SiH	Silylidyne	2Π	C∞v
27	GeH	germylidene	2Π	C∞v
28	CH2-	methylene anion	2B1	C2v
29	GeH2	germylene	1A1	C2v
30	CH3	Methyl radical	2A1	D3h
31	CH3-	methyl anion	1A1	C3v
32	SiH3	Silyl radical	2A1	C3v
33	GeH3	Germyl radical	2A1	C3v
34	GeH3+	germyl cation	1A1'	D3h
35	CH4	Methane	1A1	Td
36	SiH2D2	silane-d2
37	SiH4	Silane	1A1	Td
38	GeH4	Germane	1A1	Td
39	SiH5+	Silane, protonated
40	N	Nitrogen atom	4S	Kh
41	As	Arsenic atomic	4S	Kh
42	As-	Arsenic anion	3P	Kh
43	As+	Arsenic cation	3P	Kh
44	PH	phosphorus monohydride	3Σ-	C∞v
45	AsH	Arsenic monohydride	3Σ	C∞v
46	NH2	Amino radical	2B1	C2v
47	NH3	Ammonia	1A1	C3v
48	PH3+	Phosphine cation	2A1	C3v
49	AsH3	Arsine	1A1	C3v
50	AsH3+	Arsine cation	2A1	C3v
51	AsH4+	Arsonium
52	NH4	Ammonium radical
53	PH4	Phosphoranyl radical
54	O	Oxygen atom	3S	Kh
55	S	Sulfur atom	3P	Kh
56	S	Sulfur atom
57	S-	Sulfur atom anion	2P	Kh
58	Se	Selenium atom	3P	Kh
59	Se-	Selenium atom anion	2P	Kh
60	Se+	Selenium atom cation	4S	Kh
61	OH	Hydroxyl radical	2Π	C∞v
62	OH-	hydroxide anion	1Σ	C∞v
63	OH+	hydoxyl cation	3Σ	C∞v
64	HSe	Selenium monohydride	2Π	C∞v
65	HSe-	selenium monohydride anion	1Σ	C∞v
66	HSe+	selenium monohydride cation	3Σ	C∞v
67	H2O	Water	1A1	C2v
68	H2O-	water anion	2A1	C2v
69	H2O-	water anion	2A'	Cs
70	H2S	Hydrogen sulfide	1A1	C2v
71	H2Se	Hydrogen selenide	1A1	C2v
72	H2Se+	Hydrogen selenide cation	2B1	C2v
73	H3Se+	Hydrogen Selenide, protonated	1A1	C3v
74	F	Fluorine atom	2P	Kh
75	F-	Fluorine atom anion	1S	Kh
76	Cl	Chlorine atom	2P	Kh
77	Cl-	Chlorine atom anion	1S	Kh
78	Br	Bromine atom	2P	Kh
79	Br-	Bromine atom anion	1S	Kh
80	Br+	Bromine atom cation	3P	Kh
81	HF	Hydrogen fluoride	1Σ	C∞v
82	HF-	hydrogen fluoride anion	2Σ	C∞v
83	HF+	hydrogen fluoride cation	2Π	C∞v
84	HCl	Hydrogen chloride	1Σ	C∞v
85	HCl-	hydrogen chloride anion	2Σ	C∞v
86	HCl+	hydrogen chloride cation	2Π	C∞v
87	HBr	hydrogen bromide	1Σ	C∞v
88	HBr-	hydrogen bromide anion	2Σ	C∞v
89	HBr+	hydrogen bromide cation	2Π	C∞v
90	H2Br+	protonated hydrogen bromide	2A1	C2v
91	Ne	Neon atom
92	HeLi+	Helium Lithium cation
93	ArH+	Argon hydride cation	1Σ	C∞v
94	NaLi	lithium sodium	1Σ	C∞v
95	Na2	Sodium diatomic	1Σg	D∞h
96	Na2-	sodium diatomic anion	2Σu	D∞h
97	LiAl	Lithium Aluminum
98	HBBH	Diborane(2)	3ΣG	D∞h
99	B2H4	Diborane(4) D2d	1A1	D2d
100	B2H6	Diborane	1Ag	D2h
101	B2H6+	Diborane cation
102	GeC	Germanium monocarbide	1Σ	C∞v
103	SiGe	Silicon Germanium
104	C2H-	Ethynyl anion	1Σ	C∞v
105	C2H2	Acetylene	1Σg	D∞h
106	C2H2+	acetylene cation	2Πu	D∞h
107	C2H2+	acetylene cation
108	Si2H2	disilyne
109	Si2H2	disilyne
110	Si2H2	disilyne
111	Si2H2	disilyne
112	CH3Li	methyl lithium	1A1	C3v
113	C2H3+	vinyl cation	1A1	C2V bridging H
114	C2H3+	vinyl cation	1A1	C2V HCCH2
115	C2H4	Ethylene	1Ag	D2h
116	Si2H4	Disilene
117	Si2H4	Disilene
118	Si2H4	Disilene
119	C2H6	Ethane	1A1g	D3d
120	Si2H6	disilane	1Eu	D3d
121	LiN	Lithium Nitride	3Σ	C∞v
122	LiP	Lithium monophosphide
123	LiP	Lithium monophosphide
124	MgN	Magnesium Nitride
125	GaAs	Gallium arsenide	3Π
126	GaAs	Gallium arsenide	1Σ
127	CN	Cyano radical	2Σ	C∞v
128	SiP	Silicon monophosphide	2Π	C∞v
129	N2	Nitrogen diatomic	1Σg	D∞h
130	N2	Nitrogen diatomic
131	N2-	nitrogen diatomic anion	2Πg	D∞h
132	PN	Phosphorus mononitride	1Σ	C∞v
133	HCN	Hydrogen cyanide	1Σ	C∞v
134	HNC+	hydrogen isocyanide cation
135	HCP+	Phosphaethyne cation
136	NNH+	Dinitrogen monohydride cation	1Σ	C∞v
137	LiNH2	lithium amide
138	H2NN	Isodiazene
139	CH2NH	Methanimine	1A'	Cs
140	CH2NH+	Methanimine cation
141	CHNH2	aminomethylene
142	CHNH2+	Aminocarbene cation
143	BH2NH2	Boranamine
144	CH3NH2	methyl amine	1A'	Cs
145	SiH3NH2	Silane, amino
146	BH3PH3	borane phosphine
147	BH3NH3	borane ammonia	1A1	C3v
148	LiSe	Lithium monoselenide
149	GaO	Gallium monoxide	2Σ	C∞v
150	GaS	Gallium monosulfide
151	CO	Carbon monoxide	1Σ	C∞v
152	CO-	carbon monoxide anion	2Π	C∞v
153	CO+	carbon monoxide cation	2Σ	C∞v
154	SiO	Silicon monoxide	1Σ	C∞v
155	SiS	silicon monosulfide	1Σ	C∞v
156	CSe	Carbon monoselenide	1Σ	C∞v
157	GeO	Germanium monoxide	1Σ	C∞v
158	SiSe	Silicon Monoselenide
159	SiSe+	Silicon Monoselenide cation
160	GeSe	Germanium monoselenide
161	NO	Nitric oxide	2Π	C∞v
162	NO-	nitric oxide anion	3Σ	C∞v
163	PS	phosphorus sulfide	2Σ	C∞v
164	O2	Oxygen diatomic	3Σg	D∞h
165	O2-	oxygen diatomic anion	2Π	D∞h
166	O2--	dioxygen dianion
167	SO	Sulfur monoxide	3Σ	C∞v
168	SO	Sulfur monoxide	1Σ	C∞v
169	SO+	sulfur monoxide cation	2Π	C∞v
170	S2	Sulfur diatomic	3Σg	D∞h
171	SeO	Selenium monoxide	3Σ	C∞v
172	Se2	Selenium diatomic	3Σg	D∞h
173	BeOH	beryllium monohydroxide	2A'	Cs
174	HBS	hydrogen boron sulfide	1Σ	C∞v
175	COH	Hydroxymethylidyne
176	HCO	Formyl radical	2A'	Cs
177	HCO+	Formyl cation	1Σ	C∞v
178	HNO	Nitrosyl hydride	1A'	Cs
179	HNO+	Nitrosyl hydride cation	2A'	Cs
180	HSO+	Sulfur Monoxide, S-protonated
181	SOH	Sulfur Hydroxide
182	SOH+	Sulfur Monoxide, protonated
183	H2CO	Formaldehyde	1A1	C2v
184	H2CO-	formaldehyde anion	2A'	Cs
185	H2CO-	formaldehyde anion
186	H2CO+	formaldehyde cation	2B2	C2v
187	H2CS	Thioformaldehyde	1A1	C2v
188	H2CSe	Selenoformaldehyde
189	H2O2	Hydrogen peroxide	1A	C2
190	H2OO	water oxide
191	HOSH	hydrogen thioperoxide
192	H2Se2	hydrogen diselenide
193	NH2OH	hydroxylamine	1A'	Cs
194	NH2OH+	Hydroxylamine cation
195	NH2SH	Thiohydroxylamine
196	CH3OH	Methyl alcohol	1A'	Cs
197	CH3OH+	Methyl alcohol cation	2A"	Cs
198	CH3SH	Methanethiol	1A'	Cs
199	SiH3OH	silanol
200	NH2OH2+	protonated hydroxylamine
201	NH3OH+	N-protonated hydroxylamine
202	LiF	lithium fluoride	1Σ	C∞v
203	LiCl	lithium chloride	1Σ	C∞v
204	NaF+	sodium fluoride cation	2Σ	C∞v
205	LiBr	Lithium Bromide	1Σ	C∞v
206	LiF+	lithium fluoride cation	2Π	C∞v
207	BF	Boron monofluoride	1Σ	C∞v
208	AlF	Aluminum monofluoride	1Σ+	C∞v
209	GaF	Gallium monofluoride	1Σ	C∞v
210	AlBr	Aluminum monobromide
211	GaCl	Gallium monochloride	1ΣG	C∞v
212	GaBr	Gallium monobromide
213	CF	Fluoromethylidyne	2Π	C∞v
214	SiCl	Clorosilylidyne	2Π	C∞v
215	GeF	Germanium monofluoride	2Π	C∞v
216	GeCl	Germanium monochloride	2Π	C∞v
217	GeCl+	Germanium monochloride cation
218	SiBr+	Silicon monobromide cation
219	PBr	Phosphorus monobromide
220	ClO	Monochlorine monoxide	2Π	C∞v
221	ClO+	chlorine monoxide cation	3Σ	C∞v
222	SF	Monosulfur monofluoride	2Π	C∞v
223	SF+	sulfur monofluoride cation	3Σ	C∞v
224	SCl+	sulfur monochloride cation	3Σg	C∞v
225	BrO	Bromine monoxide	2Π	C∞v
226	BrO+	Bromine monoxide cation
227	SBr	Sulfur monobromide radical
228	SBr+	Sulfur monobromide cation
229	SeBr	Selenium monobromide
230	BrCl	Bromine monochloride	1Σ	C∞v
231	F2	Fluorine diatomic	1Σg	D∞h
232	F2-	flourine diatomic anion	2Σu	D∞h
233	F2+	flourine diatomic cation	2Πg	D∞h
234	ClF+	clorine monofluoride cation	2Π	C∞v
235	Cl2	Chlorine diatomic	1Σg	D∞h
236	Cl2+	chlorine diatomic cation	2Πg	D∞h
237	BrF	Bromine monofluoride	1Σ	C∞v
238	Br2	Bromine diatomic	1Σg	D∞h
239	Br2-	bromine diatomic anion	2Σu	D∞h
240	Br2+	bromine diatomic cation	2Πg	D∞h
241	HCF	Fluoromethylene	1A'	Cs
242	HCF	Fluoromethylene	3A"	Cs
243	HSiF	fluorosilylene
244	HSiCl	Chlorosilylene
245	HSiBr	monobromosilylene
246	HOF	Hypofluorous acid	1A'	Cs
247	HOCl	hypochlorous acid	1A'	Cs
248	HOCl+	hypochlorous acid cation
249	ClFH+	Chlorine fluoride, F-protonated
250	FClH+	Chlorine fluoride, Cl-protonated
251	CH2Br	bromomethyl radical
252	CH2F+	fluoromethyl cation
253	CH2Cl+	chloromethyl cation
254	CH2Cl	chloromethyl radical	2A'	Cs
255	CH2Cl	chloromethyl radical	2B1	C2v
256	NH2Cl	chloramine	1A'	Cs
257	CH3F+	methyl fluoride cation
258	CH3F	Methyl fluoride	1A1	C3v
259	CH3Cl	Methyl chloride	1A1	C3v
260	CH3Cl+	Methyl chloride cation
261	SiH3F	monofluorosilane	1A1	C3v
262	SiH3Cl	chlorosilane	1A1	C1
263	CH3Br	methyl bromide	1A1	C3v
264	GeH3F	monofluorogermane
265	GeH3Cl	monochlorogermane
266	NH3Cl+	protonated monochloroammonia
267	NH4Cl	Ammonium chloride
268	Ar2	Argon diatomic	1Sg	D∞h
269	SiC2	Silicon dicarbide
270	C3H4	cyclopropene	1A1	C2v
271	CH2CCH2	allene	1A1	D2d
272	CH3CCH	propyne	1A'	C3v
273	C3H6	Cyclopropane	1A1'	D3h
274	CH2CHCH3	Propene	1A'	Cs
275	C3H7	n-Propyl radical	2A"	C1
276	C3H8	Propane	1A1	C2v
277	Si3H8	trisilane
278	AlCN	Aluminum monocyanide
279	AlNC	Aluminum isocyanide
280	HN3	hydrogen azide	1A'	Cs
281	HNCNH	diiminomethane	1A	C2
282	HNNNH+	1,2-Triazadienium
283	NH2NN+	hydrazoic acid, protonated
284	CH3CN	Acetonitrile	1A1	C3v
285	CH3CN-	acetonitrile anion	2E	C3v
286	CH3CN-	acetonitrile anion	2A'	Cs
287	HCNCH2+	2H-Azirine cation
288	NH2CNH+	cyanamide, cn protonated
289	NH3CN+	cyanamide, amine protonated
290	Na2S	Sodium sulfide
291	Na2S	Sodium sulfide
292	LiO2	Lithium dioxide
293	NaO2	Sodium superoxide
294	N2O	Nitrous oxide	1Σ	C∞v
295	CO2	Carbon dioxide	1Σg	D∞h
296	OCS	Carbonyl sulfide	1Σ	C∞v
297	CS2	Carbon disulfide	1Σg	D∞h
298	GeO2	Germanium dioxide	1Σg	D∞h
299	OCSe	Carbonyl selenide	1Σ	C∞v
300	SCSe	Carbon sulfide selenide
301	NO2	Nitrogen dioxide	2A1	C2v
302	NSO	sulfinyl amidogen
303	SNO	Nitrogen oxide sulfide
304	SO2	Sulfur dioxide	1A1	C2v
305	SSO	Disulfur monoxide	1A'	Cs
306	S3	Sulfur trimer	1A1	C2v
307	SeO2	Selenium dioxide	1A1	C2v
308	HCNO	fulminic acid	1Σ	C∞v
309	HOCO	Hydrocarboxyl radical	1A'	cis
310	HOCO	Hydrocarboxyl radical	1A'	trans
311	O3H+	protonated ozone	1A'	Cs
312	O3H+	protonated ozone
313	C2H2O	Oxirene	1A1	C2v
314	CH2CO	Ketene	1A1	C2v
315	CH2CS	Thioketene
316	HCOOH	Formic acid	1A'	Cs
317	HCOOH	Formic acid
318	BH3CO	Borane carbonyl	1A1	C3v
319	NHCHSH	Methanimidothioic acid
320	C2H4O	Ethylene oxide	1A1	C2v
321	C2H4O+	ethylene oxide cation
322	CH3CHO	Acetaldehyde	1A'	Cs
323	CH3CHO+	acetaldehyde cation
324	H2COCH2+	Methyl, (methyleneoxoniumyl)-
325	C2H4S	Thiirane	1A1	C2v
326	CH3CHS	Thioacetaldehyde	1A'	C1
327	NH2CHOH+	Formamide, O-protonated
328	CH3SSH	Hydrogen methyl disulfide
329	HSCH2SH	Methanedithiol
330	CH3CH2OH	Ethanol	1A'	Cs
331	CH3OCH3	Dimethyl ether	1A1	C2v
332	CH3CH2SH	ethanethiol	1A'	Cs
333	CH3CH2SH	ethanethiol	1A	C1
334	CH3SCH3	Dimethyl sulfide	1A1	C2v
335	BrCN	Cyanogen bromide	1Σ	C∞v
336	FBO	Boron monofluoride monoxide
337	BeBr2	Beryllium bromide
338	FNO	Nitrosyl fluoride	1A'	Cs
339	ClNO	Nitrosyl chloride	1A'	Cs
340	CF2	Difluoromethylene	1A1	D∞h
341	SiF2	Silicon difluoride	1A1	C2v
342	GeCl2	Germanium dichloride	1A1	C2v
343	FOO+	Fluorine dioxide cation
344	OClO	Chlorine dioxide	2B1	D∞h
345	BrOO	Bromine dioxide
346	PF2	Phosphorus difluoride
347	PF2+	Phosphorus difluoride cation
348	SF2	sulfur difluoride	1A1	C2v
349	SeF2	Selenium difluoride
350	SeCl2	Selenium Dichloride
351	SBr2	Sulfur dibromide
352	SeBr2	Selenium dibromide
353	Br3-	tribromide anion
354	SFCl	Sulfur chloride fluoride
355	HCCF	Fluoroacetylene	1Σ	C∞v
356	CHF2	difluoromethyl radical	2A	Cs
357	CHF2+	difluoromethyl cation
358	CHFCl	Chlorofluoromethyl radical
359	CHFCl+	Chlorofluoromethyl cation
360	CHCl2+	dichloromethyl cation
361	NHF2	difluoramine
362	NHCl2	dichloroamine
363	CH2F2	Methane, difluoro-	1A1	C2v
364	SiH2F2	difluorosilane
365	CH2Cl2	Methylene chloride	1A1	C2v
366	CH2BrCl	Methane, bromochloro-	1A'	Cs
367	CH2Br2	dibromomethane	1A1	C2v
368	CH3MgBr	Methyl Magnesium Bromide
369	CH2CHF	Ethene, fluoro-	1A'	Cs
370	CH2FOH	fluoromethanol
371	C2H5Br	Ethyl bromide	1A'	Cs
372	C4	Carbon tetramer	3Σg	D∞h
373	C4	Carbon tetramer
374	C4H2+	diacetlyene cation	2Πg	D∞h
375	C4H4	Tetrahedrane
376	C4H6	1-Methylcyclopropene	1A	C1
377	As4	Arsenic tetramer	1A1	Td
378	H2CNCN	cyanamide, methylene
379	HNCCNH	Ethenediimine
380	C2H5CN	ethyl cyanide	1A'	Cs
381	H2NCHCHNH2	diaminoethylene
382	N(SiH3)3	trisilylamine
383	Na2O2	disodium dioxide
384	ONNO	NO dimer	1Ag	trans C2H
385	ONNO	NO dimer	1A1	cis C2V
386	SO3	Sulfur trioxide	1A1'	D3h
387	SO3--	Sulfate dianion
388	S4	Sulfur tetramer
389	S4	Sulfur tetramer
390	S4	Sulfur tetramer
391	HNO3	Nitric acid	1A'	Cs
392	C3H2O	Propadienal
393	C3H2O	Propadienal
394	C2H2O2	Ethanedial	1Ag	C2h
395	CH3NCO	methylisocyante
396	H3AlO3	Aluminum hydroxide
397	CH2CHCHO	Acrolein	1A'	Cs
398	CH2CHCHO	Acrolein
399	CH2C(OH)NH2	1-amino vinyl alchohol
400	CH3C(OH)=NH	Ethaninidic acid
401	CH3CSNH2	Ethanethioamide
402	CH3CH2CHO	Propanal	1A'	Cs
403	CH3COCH3	Acetone	1A1	C2v
404	CH3SOCH3	Dimethyl sulfoxide	1A'	Cs
405	C3H7OH	1-Propanol
406	Li2F2	Lithium fluoride dimer
407	CF2O	Carbonic difluoride	1A1	C2v
408	CF2O+	Carbonic difluoride cation
409	BF3+	boron trifluoride cation
410	BCl3	Borane, trichloro-	1A1'	D3h
411	BCl3+	Boron Trichloride cation
412	GaF3	Gallium trifluoride	1A1'	D3h
413	CF2Cl	difluorochloromethyl radical
414	CFCl2	dichlorofluoromethyl radical
415	SSCl2	Thiothionyl chloride
416	NF3	Nitrogen trifluoride	1A1	C3v
417	NBr3	Nitrogen Tribromide	1A1	C3v
418	CHF3	Methane, trifluoro-	1A1	C3v
419	SiHF3	trifluorosilane
420	CHBrF2	Methane, bromodifluoro-	1A'	Cs
421	CHFClBr	fluorochlorobromomethane	1A	C1
422	CHBrCl2	Methane, bromodichloro-	1A'	Cs
423	CHBr2F	dibromofluoromethane
424	C2H4F2	1,2-difluoroethane	1Ag	C2H anti
425	C2H4F2	1,2-difluoroethane	1A	C2 gauche
426	CH3CHF2	Ethane, 1,1-difluoro-	1A'	Cs
427	CH2CHCH2F	Allyl Fluoride
428	CH2CHCH2F	Allyl Fluoride
429	CH3CHCHF	trans-1-Fluoro-1-propene
430	CH2FCH2CH3	1-Fluoropropane
431	CH3CHClCH3	Propane, 2-chloro-	1A'	Cs
432	C5H4	pentatetraene
433	C3O2	Carbon suboxide	1ΣG	D∞h
434	B2O3	diboron trioxide
435	B2O3	diboron trioxide
436	CHOOCHO	diformyl ether
437	C3H3NO	Isoxazole	1A'	Cs
438	C3H3NS	Thiazole
439	C4H4O	Furan	1A1	C2
440	C4H4Se	selenophene
441	C4H10O	Ethoxy ethane	1A1	C2v
442	CF3Cl	Methane, chlorotrifluoro-	1A1	C3v
443	CF2Cl2	difluorodichloromethane	1A1	C2v
444	CF3Br	Bromotrifluoromethane	1A1	C3v
445	GeF4	Germanium tetrafluoride	1A1	Td
446	CCl4	Carbon tetrachloride	1A1	Td
447	CBr2ClF	dibromochlorofluoromethane
448	SF4	Sulfur tetrafluoride	1A1	C2v
449	CHF2CH2F	Ethane, 1,1,2-trifluoro	1A	C1
450	C2H2N2O	Furazan
451	C6H6	Prismane
452	C6H6	Benzene	1A1g	D6h
453	C6H6	Dewar Benzene
454	N3P3	1,3,5,2,4,6-Triazatriphosphorine
455	C3H2O3	vinylene carbonate
456	C4H8O2	Ethyl acetate	1A'	Cs
457	PF5	Phosphorus pentafluoride	1A1'	D3h
458	C5H4O2	furfural	1A'	OCCO cis
459	C5H4O2	furfural	1A'	OCCO trans
460	SF6	Sulfur Hexafluoride	1A1G	Oh
461	C8H8	cubane	1A1G	Oh
462	C6H5CHO	benzaldehyde	1A'	Cs
463	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 cation	h+
5	D2	Deuterium diatomic	d2
6	H2+	Hydrogen cation	h2+
7	HD	Deuterium hydride	hd
8	H3+	hydrogen trimer cation	h3+
9	He-	Helium atom anion	he-
10	HeH	Helium hydride	heh
11	HeH+	Helium hydride cation	heh+
12	He2+	helium diatomic cation	he2+
13	Li	Lithium atom	li
14	Li+	Lithium atom cation	li+
15	Na	Sodium atom	na
16	Na-	Sodium atom anion	na-
17	Na+	Sodium atom cation	na+
18	K	Potassium atom	k
19	K-	Potassium atom anion	k-
20	K+	Potassium atom cation	k+
21	Cu	Copper atom	cu
22	Cu-	Copper atom anion	cu-
23	Cu+	Copper atom cation	cu+
24	LiH-	lithium hydride anion	lih-
25	LiH+	lithium hydride cation	lih+
26	NaH	sodium hydride	nah
27	NaH-	sodium hydride anion	nah-
28	NaH+	sodium hydride cation	nah+
29	KH	Potassium hydride	kh
30	KH+	Potassium hydrogen cation	kh+
31	CuH	Copper monohydride	cuh
32	Be	Beryllium atom	be
33	Be-	Beryllium atom anion	be-
34	Be+	Beryllium atom cation	be+
35	Mg	Magnesium atom	mg
36	Mg-	Magnesium atom anion	mg-
37	Mg+	Magnesium atom cation	mg+
38	Ca	Calcium atom	ca
39	Ca-	Calcium atom anion	ca-
40	Ca+	Calcium atom cation	ca+
41	Zn	Zinc atom	zn
42	Zn-	Zinc atom anion	zn-
43	Zn+	Zinc atom cation	zn+
44	BeH	beryllium monohydride	beh
45	BeH-	berylium monohydride anion	beh-
46	BeH+	beryllium monohydride cation	beh+
47	MgH-	magnesium monohydride anion	mgh-
48	MgH+	magnesium monohydride cation	mgh+
49	CaH	Calcium monohydride	cah
50	CaH+	Calcium monohydride cation	cah+
51	TiH	Titanium monohydride	tih
52	ZnH	Zinc monohydride	znh
53	BeH2	beryllium dihydride	beh2
54	BeH2+	Beryllium dihydride cation	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	BH3+	boron trihydride cation	bh3+
81	AlH3	aluminum trihydride	alh3
82	AlH3+	aluminum trihydride cation	alh3+
83	ScH3	Scandium trihydride	sch3
84	GaH3	Gallium trihydride	gah3
85	BH4	borohydride	bh4
86	BH4-	borohydride anion	bh4-
87	AlH4-	Aluminum tetrahydride anion	alh4-
88	C-	Carbon atom anion	c-
89	C+	Carbon atom cation	c+
90	Si	Silicon atom	si
91	Si+	Silicon atom cation	si+
92	Ti	Titanium atom	ti
93	Ti-	Titanium atom anion	ti-
94	Ti+	Titanium atom cation	ti+
95	Sn	Tin atom	sn
96	Sn+	Tin cation	sn+
97	CH-	methylidyne anion	ch-
98	CH+	Methylidyne cation	ch+
99	SiH-	silicon monohydride anion	sih-
100	SiH+	silicon monohydride cation	sih+
101	GeH+	Germaniun monohyrdide cation	geh+
102	CH2	Methylene	ch2
103	CH2+	methylene cation	ch2+
104	SiH2	silicon dihydride	sih2
105	SiH2-	silicon dihydride anion	sih2-
106	SiH2+	silicon dihydride cation	sih2+
107	GeH2-	germylene anion	geh2-
108	CH3+	methyl cation	ch3+
109	SiH3-	Silyl anion	sih3-
110	SiH3+	Silyl cation	sih3+
111	CD4	methane-d4	cd4
112	CH2D2	methane-d2	ch2d2
113	CH3D	methane-d	ch3d
114	CH4-	Methane anion	ch4-
115	CH4+	Methane cation	ch4+
116	CHD3	methane-d3	chd3
117	SiH4+	Silane cation	sih4+
118	SnH4	Stannane	snh4
119	N-	Nitrogen atom anion	n-
120	N+	Nitrogen atom cation	n+
121	P	Phosphorus atom	p
122	P-	Phosphorus atom anion	p-
123	P+	Phosphorus atom cation	p+
124	V	Vanadium atom	v
125	V+	Vanadium atom cation	v+
126	Sb	Antimony atom	sb
127	NH	Imidogen	nh
128	NH-	Imidogen anion	nh-
129	NH+	imidogen cation	nh+
130	PH-	phosphorus monohydride anion	ph-
131	PH+	phosphorus monohydride cation	ph+
132	AsH+	Arsenic monohydride cation	ash+
133	SbH	Antimony monohydride	sbh
134	ND2	Amidogen-d2	nd2
135	NH2-	amino anion	nh2-
136	NH2+	Amino cation	nh2+
137	PH2	Phosphino radical	ph2
138	PH2-	Phosphino anion	ph2-
139	PH2+	Phosphino cation	ph2+
140	AsH2	Arsenic dihydride	ash2
141	AsH2+	Arsenic dihydride cation	ash2+
142	ND3	Ammonia-d3	nd3
143	NH3-	Ammonia anion	nh3-
144	NH3+	ammonia cation	nh3+
145	PH3	Phosphine	ph3
146	SbH3	Stibine	sbh3
147	NH4+	ammonium cation	nh4+
148	PH4+	phosphonium cation	ph4+
149	O-	Oxygen atom anion	o-
150	O+	Oxygen atom cation	o+
151	S+	Sulfur atom cation	s+
152	Cr	Chromium atom	cr
153	Te	Tellurium atom	te
154	Te+	Tellurium atom cation	te+
155	DO	Hydroxyl-d	od
156	DS	Mercapto-d	ds
157	HS	Mercapto radical	hs
158	HS-	mercapto anion	sh-
159	HS+	sulfur monohydride cation	sh+
160	CrH	Chromium hydride	crh
161	CrH+	Chromium hydride cation	crh+
162	TeH	Telluryl radical	teh
163	D2O	Deuterium oxide	d2o
164	H2O+	water cation	h2o+
165	HDO	Water-d1	hdo
166	D2S	Hydrogen sulfide-d2	d2s
167	H2S-	Hydrogen sulfide anion	h2s-
168	H2S+	Hydrogen sulfide cation	h2s+
169	H2Te	Hydrogen Telluride	h2te
170	H3O+	hydronium cation	h3o+
171	H3S+	Sulfonium cation	h3s+
172	F+	Fluorine atom cation	f+
173	Cl+	Chlorine atom cation	cl+
174	Mn	Manganese atom	mn
175	I	Iodine atom	iodine
176	I-	Iodine atom anion	iodine-
177	I+	Iodine atom cation	iodine+
178	DF	Hydrofluoric acid-d	df
179	DCl	Hydrochloric acid-d	dcl
180	HI	Hydrogen iodide	hi
181	HI+	Hydrogen iodide cation	hi+
182	H2F+	dihydrogen fluoride cation	h2f+
183	H2Cl+	dihydrogen monochloride cation	h2cl+
184	H2I+	Iodonium	h2i+
185	Ne	Neon atom	ne
186	Ne-	Neon atom anion	ne-
187	Ne+	Neon atom cation	ne+
188	Ar	Argon atom	ar
189	Ar-	Argon atom anion	ar-
190	Ar+	Argon atom cation	ar+
191	Fe	Iron atom	fe
192	Kr	Krypton atom	kr
193	Kr+	Krypton cation	kr+
194	Xe	Xenon atom	xe
195	NeH	neon hydrogen	neh
196	NeH+	neon hydrogen cation	neh+
197	KrH+	Protonated Krypton	krh+
198	XeH+	Xenon, protonated	xeh+
199	H2Ar	H2 Ar dimer	h2ar
200	Co	Cobalt atom	cobalt
201	Ni	Nickel atom	ni
202	Li2	Lithium diatomic	li2
203	Li2-	lithium diatomic anion	li2-
204	Li2+	lithium diatomic cation	li2+
205	NaLi-	lithium sodium anion	lina-
206	NaLi+	lithium sodium cation	lina+
207	LiK	Lithium Potassium	lik
208	Na2+	sodium diatomic cation	na2+
209	NaK	Sodium Potassium	nak
210	NaK+	Sodium Potassium diatomic cation	nak+
211	K2	Potassium diatomic	k2
212	Cu2	Copper diatomic	cu2
213	LiBe	Lithium Beryllium	libe
214	LiMg	Lithium magnesium	limg
215	NaBe	Sodium Beryllium	nabe
216	NaMg	Sodium Magnesium	namg
217	Be2	Beryllium diatomic	be2
218	Be2-	Beryllium diatomic anion	be2-
219	Be2+	Beryllium diatomic cation	be2+
220	BeMg	Beryllium Magnesium	bemg
221	Mg2	Magnesium diatomic	mg2
222	Mg2-	magnesium diatomic anion	mg2-
223	Mg2+	magnesium diatomic cation	mg2+
224	Ca2	Calcium diatomic	ca2
225	LiB	Lithium boride	lib
226	NaAl	Sodium aluminum	naal
227	BeB	Beryllium monoboride	beb
228	B2	Boron diatomic	b2
229	B2-	Boron diatomic anion	b2-
230	B2+	Boron diatomic cation	b2+
231	BAl	Boron Aluminum	bal
232	Al2	Aluminum diatomic	al2
233	Al2-	aluminum diatomic anion	al2-
234	Al2+	aluminum diatomic cation	al2+
235	BGa	Boron Gallium	bga
236	AlGa	Aluminum Gallium	alga
237	Ga2	Gallium diatomic	ga2
238	LiBH4	Lithium borohydride	libh4
239	HBHHBH	Diborane(4) C2V	hbhhbh
240	Al2H6	dialane	al2h6
241	Ga2H6	digallane	ga2h6
242	LiC	Lithium Carbide	lic
243	BeC	Beryllium Carbide	bec
244	CaC	Calcium monocarbide	cac
245	BC	boron monocarbide	bc
246	BC-	boron monocarbide anion	bc-
247	BC+	boron monocarbide cation	bc+
248	AlC	Aluminum carbide	alc
249	BSi	Boron silicide	bsi
250	C2	Carbon diatomic	c2
251	C2-	carbon diatomic anion	c2-
252	C2+	carbon diatomic cation	c2+
253	SiC	silicon monocarbide	sic
254	SiC-	silicon monocarbide anion	sic-
255	SiC+	silicon monocarbide cation	sic+
256	Si2	Silicon diatomic	si2
257	Si2-	silcon diatomic anion	si2-
258	Si2+	silcon diatomic cation	si2+
259	Ge2	Germanium diatomic	ge2
260	C2H	Ethynyl radical	c2h
261	C2H+	Ethynyl cation	c2h+
262	ZnCH2	Zinc methylene	znch2
263	CCH2	vinylidene	vinylidene
264	H2CC-	vinylidene anion	h2cc-
265	HCCH-	acetylene anion	c2h2-
266	CuCH3	monomethyl copper	cuch3
267	ZnCH3	Zinc monomethyl	znch3
268	CH2BH	methyleneborane	ch2bh
269	C2H3	vinyl	c2h3
270	C2H3-	vinyl anion	c2h3-
271	C2H4-	Ethylene anion	c2h4-
272	C2H4+	Ethylene cation	c2h4+
273	CH3CH	methylmethylene	ch3ch
274	CH2SiH2	silaethylene	ch2sih2
275	CH3BH2	methylborane	ch3bh2
276	C2H5	Ethyl radical	c2h5
277	C2H5-	Ethyl anion	c2h5-
278	C2H5+	Ethyl cation	c2h5+
279	C2H6+	ethane cation	c2h6+
280	CH3SiH3	methyl silane	ch3sih3
281	GeH3CH3	methyl germane	geh3ch3
282	C2H7+	Ethane, protonated	c2h7+
283	LiN+	Lithium Nitride cation	lin+
284	BeN	Beryllium mononitride	ben
285	BeN-	Beryllium mononitride anion	ben-
286	BeN+	Beryllium mononitride cation	ben+
287	BN-	boron nitride anion	bn-
288	AlN-	aluminum mononitride anion	aln-
289	AlN+	aluminum mononitride cation	aln+
290	BP	Boron monophosphide	bp
291	AlP	Aluminum monophosphide	alp
292	GaN	Gallium mononitride	gan
293	GaP	Gallium monophosphide	gap
294	BN	boron nitride	bn
295	BN+	boron nitride cation	bn+
296	AlN	Aluminum nitride	aln
297	CN-	cyanide anion	cn-
298	CN+	Cyano cation	cn+
299	CP	Carbon monophosphide	cp
300	CP-	carbon monophosphide anion	cp-
301	CP+	carbon monophosphide cation	cp+
302	SiN	Silicon nitride	sin
303	SiN-	silicon mononitride anion	sin-
304	SiN+	silicon mononitride cation	sin+
305	SiP-	Silicon monophosphide anion	sip-
306	SiP+	Silicon monophosphide cation	sip+
307	TiN	Titanium mononitride	tin
308	N2+	diatomic nitrogen cation	n2+
309	PN-	phosphorus nitride anion	pn-
310	PN+	phosphorus nitride cation	pn+
311	P2	Phosphorus diatomic	p2
312	P2-	phosphorus diatomic anion	p2-
313	P2+	phosphorus diatomic cation	p2+
314	AsN	Arsenic mononitride	asn
315	AsP	Arsenic monophosphide	asp
316	SbN	Antimony nitride	sbn
317	As2	Arsenic diatomic	as2
318	HNB	hydrogen nitrogen boron	hnb
319	HNC	hydrogen isocyanide	hnc
320	HCN-	Hydrogen cyanide anion	hcn-
321	HCN+	hydrogen cyanide cation	hcn+
322	HCP	Phosphaethyne	hcp
323	NNH	Dinitrogen monohydride	nnh
324	HPO	Hydrogen phosphorus oxide	hpo
325	HPO+	Hydrogen phosphorus oxide cation	hpo+
326	HBNH	Boranimine	hbnh
327	CNH2	Aminomethylidyne radical	cnh2
328	CNH2+	N-protonated hydrogen isocyanide	cnh2+
329	H2CN	Dihydrogen cyanide radical	h2cn
330	H2CN+	hydrocyanonium cation	h2cn+
331	HCNH	methyleneazane	hcnh
332	HCNH+	N-protonated HCN	hcnh+
333	N2H2	(E)-diazene	n2h2
334	N2H2	(Z)-Diazene	n2h2z
335	N2H2+	trans-diazene cation	n2h2+
336	CH2PH	Phosphaethene	ch3p
337	CH2NH2+	methyleneamine cation	ch2nh2+
338	N2H4	Hydrazine	n2h4
339	N2H4+	hydrazine cation	n2h4+
340	P2H4	Diphosphine	p2h4
341	CH3NH2+	methyl amine cation	ch3nh2+
342	CH3PH2	Methyl phosphine	ch3ph2
343	N2H5+	protonated hydrazine	n2h5+
344	CH3NH3	methyl ammonium radical	ch3nh3
345	CH3NH3+	protonated methylamine	ch3nh3+
346	CH3PH3+	methyl phosphine, protonated	ch3ph3+
347	NH3NH3	Ammonia Dimer	nh3nh3
348	N2H7+	ammonia ammonium dimer	n2h7+
349	LiO	lithium oxide	lio
350	LiO-	lithium oxide anion	lio-
351	LiO+	lithium oxide cation	lio+
352	LiS	Lithium monosulfide	lis
353	LiS+	Lithium sulfide cation	lis+
354	NaO	sodium monoxide	nao
355	NaO-	sodium oxide anion	nao-
356	NaO+	sodium oxide cation	nao+
357	KO	Potassium monoxide	ko
358	KO+	Potassium monoxide cation	ko+
359	NaS	Sodium sulfide	nas
360	CuO	Copper Monoxide	cuo
361	BeO	beryllium oxide	beo
362	BeO-	Beryllium monoxide anion	beo-
363	BeO+	Beryllium monoxide cation	beo+
364	BeS	beryllium sulfide	bes
365	MgO	magnesium oxide	mgo
366	MgO-	magnesium oxide anion	mgo-
367	MgO+	magnesium oxide cation	mgo+
368	CaO	Calcium monoxide	cao
369	MgS	magnesium sulfide	mgs
370	MgS-	magnesium sulfide anion	mgs-
371	MgS+	magnesium sulfide cation	mgs+
372	CaS	Calcium sulfide	cas
373	ZnO	zinc monoxide	zno
374	ZnS	Zinc sulfide	zns
375	BeS-	Beryllium monosulfide anion	bes-
376	BeS+	Beryllium monosulfide cation	bes+
377	BO	boron monoxide	bo
378	BO-	boron monoxide anion	bo-
379	AlO	Aluminum monoxide	alo
380	AlO-	Aluminum monoxide anion	alo-
381	AlO+	aluminum monoxide cation	alo+
382	BS	boron sulfide	bs
383	BS-	boron monosulfide anion	bs-
384	BS+	boron monosulfide cation	bs+
385	AlS	Aluminum sulfide	als
386	AlS-	aluminum monosulfide anion	als-
387	AlS+	aluminum monosulfide cation	als+
388	ScO	Scandium monoxide	sco
389	BO+	boron monoxide cation	bo+
390	CS	carbon monosulfide	cs
391	CS-	carbon monosulfide anion	cs-
392	CS+	carbon monosulfide cation	cs+
393	SiO-	silicon monoxide anion	sio-
394	SiO+	silicon monoxide cation	sio+
395	SiS-	silicon monosulfide anion	sis-
396	SiS+	silicon monosulfide cation	sis+
397	TiO	Titanium monoxide	tio
398	CSe-	Carbon monoselenide anion	cse-
399	CSe+	Carbon monoselenide cation	cse+
400	GeO+	Germanium monoxide cation	geo+
401	GeS	Germanium monosulfide	ges
402	NO+	nitric oxide cation	no+
403	NS	Mononitrogen monosulfide	ns
404	NS-	nitrogen sulfide anion	ns-
405	NS+	nitrogen sulfide cation	ns+
406	PO	Phosphorus monoxide	po
407	PO-	phosphorus monoxide anion	po-
408	PO+	phosphorus monoxide cation	po+
409	PS-	phosphorus monosulfide anion	ps-
410	PS+	phosphorus monosulfide cation	ps+
411	VO	Vanadium monoxide	vo
412	AsO	Arsenic monoxide	aso
413	NSe	Nitrogen monoselenide	nse
414	AsS	Arsenic monosulfide	ass
415	PSe	Phosphorus monoselenide	pse
416	AsSe	Arsenic monoselenide	asse
417	O2+	diatomic oxygen cation	o2+
418	SO-	sulfur monoxide anion	so-
419	S2-	sulfur diatomic anion	s2-
420	S2+	sulfur diatomic cation	s2+
421	SeO-	selenium monoxide anion	seo-
422	SeO+	selenium monoxide cation	seo+
423	SeS	Selenium monosulfide	ses
424	SeS-	selenium monosulfide anion	ses-
425	SeS+	selenium monosulfide cation	ses+
426	TeO	Tellurium monoxide	teo
427	Se2-	selenium diatomic anion	se2-
428	Se2+	selenium diatomic cation	se2+
429	Te2	Tellurium diatomic	te2
430	LiOH	lithium hydroxide	lioh
431	NaOH	sodium hydroxide	naoh
432	KOH	Potassium hydroxide	koh
433	MgOH	magnesium hydroxide	mgoh
434	CaOH	Calcium monohydroxide	caoh
435	HBO	Boron hydride oxide	hbo
436	COH+	Carbon Monoxide, protonated	coh+
437	HCO-	formyl anion	hco-
438	HCS	Thioformyl radical	hcs
439	HCS-	Thioformyl anion	hcs-
440	HCS+	Thioformyl cation	hcs+
441	HNO-	Nitrosyl hydride anion	hno-
442	NOH	Hydroxyimidogen	noh
443	NOH+	O-protonated nitric oxide	noh+
444	HNS	Sulfur imide	hns
445	HNS-	Sulfur imide anion	hns-
446	HO2	Hydroperoxy radical	ho2
447	HO2-	Hydroperoxy anion	ho2-
448	HO2+	Hydroperoxy cation	ho2+
449	HS2	Thiosulfeno radical	hs2
450	HOCH	hydroxycarbene	hoch
451	H2CS-	thioformaldehyde anion	h2cs-
452	H2CS+	thioformaldehyde cation	h2cs+
453	H2NO	nitroxide	h2no
454	H2O2+	Hydrogen peroxide cation	h2o2+
455	H2S2	Disulfane	h2s2
456	H2S2+	hydrogen disulfide cation	h2s2+
457	CH2OH	Hydroxymethyl radical	ch2oh
458	CH2OH+	hydroxymethyl cation	ch2oh+
459	CH3O	Methoxy radical	ch3o
460	CH3O-	methoxy anion	ch3o-
461	CH3O+	Methoxy cation	ch3o+
462	CH3S	thiomethoxy	ch3s
463	H2CSH+	Thioformaldehyde, protonated	h2csh+
464	NH3O	Ammonia Oxide	nh3o
465	H2POH	Phosphinous acid	h2poh
466	H3PO	Phosphine oxide	h3po
467	NH3S	sulfidoazane	nh3s
468	H3O2+	hydrogen peroxide, protonated	h3o2+
469	CH3OH-	Methyl alcohol anion	ch3oh-
470	CH3SH+	Methanethiol cation	ch3sh+
471	CH3SeH	Methane selenol	ch3seh
472	H2OH2O	water dimer	h2oh2o
473	CH3OH2+	Methanol, protonated	ch3oh2+
474	CH3SH2+	protonated methylsulfide	ch3sh2+
475	H2ONH3	Water Ammonia Dimer	h2onh3
476	H5O2+	Dihydroxonium ion	h5o2+
477	LiCl-	lithium chloride anion	licl-
478	LiCl+	lithium chloride cation	licl+
479	NaF	sodium fluoride	naf
480	NaF-	sodium fluoride anion	naf-
481	KF	Potassium Fluoride	kf
482	NaCl	Sodium Chloride	nacl
483	NaCl-	sodium chloride anion	nacl-
484	NaCl+	sodium chloride cation	nacl+
485	KCl	Potassium Chloride	kcl
486	CuF	Copper monofluoride	cuf
487	LiBr-	lithium bromide anion	libr-
488	LiBr+	lithium bromide cation	libr+
489	CuCl	Copper monochloride	cucl
490	NaBr	Sodium Bromide	nabr
491	NaBr-	sodium bromide anion	nabr-
492	NaBr+	sodium bromide cation	nabr+
493	KBr	Potassium Bromide	kbr
494	LiI	Lithium Iodide	lii
495	NaI	Sodium Iodide	nai
496	KI	Potassium Iodide	ki
497	LiF-	lithium fluoride anion	lif-
498	BeF	Beryllium monofluoride	bef
499	BeF-	Beryllium monofluoride anion	bef-
500	BeF+	Beryllium monofluoride cation	bef+
501	BeCl	beryllium monochloride	becl
502	MgF	Magnesium monofluoride	mgf
503	MgF-	magnesium fluoride anion	mgf-
504	MgF+	magnesium fluoride cation	mgf+
505	CaF	Calcium monofluoride	caf
506	MgCl	magnesium monochloride	mgcl
507	MgCl-	magnesium monochloride anion	mgcl-
508	MgCl+	magnesium monochloride cation	mgcl+
509	CaCl	calcium monochloride	cacl
510	TiCl	Titanium Monochloride	ticl
511	ZnF	Zinc monofluoride	znf
512	ZnF-	Zinc monofluoride anion	znf-
513	ZnF+	Zinc monofluoride cation	znf+
514	ZnCl	Zinc monochloride	zncl
515	CaBr	Calcium monobromide	cabr
516	BeCl-	beryllium monochloride anion	becl-
517	BeCl+	beryllium monochloride cation	becl+
518	BF-	Boron monofluoride anion	bf-
519	BF+	Boron monofluoride cation	bf+
520	AlF-	Aluminum monofluoride anion	alf-
521	AlF+	Aluminum monofluoride cation	alf+
522	BCl	boron monochloride	bcl
523	BCl-	boron monochloride anion	bcl-
524	BCl+	boron monochloride cation	bcl+
525	AlCl	Aluminum monochloride	alcl
526	AlCl-	aluminum monochloride anion	alcl-
527	AlCl+	aluminum monochloride cation	alcl+
528	ScF	Scandium monofluoride	scf
529	BBr	Boron monobromide	bbr
530	GaF+	Gallium monofluoride cation	gaf+
531	GaCl+	Gallium monochloride cation	gacl+
532	AlI	Aluminum monoiodide	ali
533	CF-	carbon monofluoride anion	cf-
534	CF+	carbon monofluoride cation	cf+
535	CCl	carbon monochloride	ccl
536	CCl-	carbon monochloride anion	ccl-
537	CCl+	carbon monochloride cation	ccl+
538	SiF	silicon monofluoride	sif
539	SiF-	silicon monofluoride anion	sif-
540	SiF+	silicon monofluoride cation	sif+
541	SiCl-	silicon monochloride anion	sicl-
542	SiCl+	silicon monochloride cation	sicl+
543	CBr	Carbon monobromide	cbr
544	GeF+	Germanium monofluoride cation	gef+
545	SiBr	Silicon monobromide	sibr
546	NF	nitrogen fluoride	nf
547	NF-	nitrogen monofluorine anion	nf-
548	NF+	nitrogen monofluoirde cation	nf+
549	NCl	nitrogen monochloride	ncl
550	NCl-	nitrogen monochloride anion	ncl-
551	NCl+	nitrogen monochloride cation	ncl+
552	PF	phosphorus monofluoride	pf
553	PF-	phosphorus monofluoride anion	pf-
554	PF+	phosphorus monofluoride cation	pf+
555	PCl	phosphorus chloride	pcl
556	PCl-	phosphorus monochloride anion	pcl-
557	PCl+	phosphorus monochloride cation	pcl+
558	AsF	Arsenic monofluoride	asf
559	NBr	nitrogen monobromide	nbr
560	AsCl	Arsenic monochloride	ascl
561	SbF	Antimony monofluoride	sbf
562	SbCl	Antimony monochloride	sbcl
563	FO	Oxygen monofluoride	fo
564	FO-	flourine oxide anion	fo-
565	FO+	fluorine monoxide cation	fo+
566	ClO-	chlorine monoxide anion	clo-
567	SF-	sulfur monofluoride anion	sf-
568	SCl	sulfur monochloride	scl
569	SCl-	sulfur monochloride anion	scl-
570	BrO-	Bromine monoxide anion	bro-
571	SeF	Selenium monofluoride	sef
572	SeCl	Selenium monochloride	secl
573	IO	Iodine monoxide	io
574	ClF	Chlorine monofluoride	clf
575	ClF-	clorine monofluoride anion	clf-
576	Cl2-	chlorine diatomic anion	cl2-
577	BrF-	bromine fluoride anion	brf-
578	BrF+	bromine fluoride cation	brf+
579	BrCl-	bromine chloride anion	brcl-
580	BrCl+	bromine chloride cation	brcl+
581	IF	Iodine monofluoride	if
582	ICl	Iodine monochloride	icl
583	IBr	Iodine monobromide	ibr
584	I2	Iodine diatomic	i2
585	I2+	Iodine diatomic cation	i2+
586	HCCl	Chloromethylene	hccl
587	CHBr	bromomethylene	chbr
588	DOCl	Hypochlorous acid-d	docl
589	HOBr	Hypobromous acid	hobr
590	HOBr+	Hypobromous acid cation	hobr+
591	HOI	Hypoiodous acid	hoi
592	F2H+	Fluorine, protonated	f2h+
593	FHF	Hydrogen difluoride	fhf
594	FHF-	Hydrogen difluoride anion	fhf-
595	Cl2H+	Chlorine, protonated	cl2h+
596	CH2F	fluoromethyl radical	ch2f
597	NH2F	monofluoroamine	nh2f
598	H2F2	Hydrogen fluoride dimer	h2f2
599	CD3F	methylfluoride-d3	cd3f
600	CD3Cl	methyl chloride d3	cd3cl
601	SiH3Br	bromosilane	sih3br
602	CH3I	methyl iodide	ch3i
603	SiH3I	Silyl Iodide	sih3i
604	CH3ClH+	methyl chloride, protonated	ch3clh+
605	LiNe+	Lithium Neon cation	line+
606	Ne2	Neon diatomic	ne2
607	Ne2+	Neon diatomic cation	ne2+
608	Ar2+	Argon diatomic cation	ar2+
609	Li3	Lithium trimer	li3
610	Li3+	Lithium trimer cation	li3+
611	C3	carbon trimer	c3
612	C3+	carbon trimer cation	c3+
613	C3H3	cyclopropenyl radical	cpr
614	C3H3	Propargyl radical	propargyl
615	C3H3-	Propargyl anion	c3h3-
616	C3H3+	cyclopropenyl cation	cpr+
617	C3H3+	Propargyl cation	c3h3+
618	C3H5	Allyl radical	allyl
619	C3H5+	Allyl cation	allyl+
620	CH3CHCH	1-propenyl radical	ch3chch
621	Zn(CH3)2	dimethyl zinc	dmz
622	C3H7+	cyclopropane, protonated	c3h7+
623	CH3CHCH3	Isopropyl radical	isopropyl
624	CH3CHCH3+	Isopropyl cation	prop2yl+
625	SiH2(CH3)2	dimethylsilane	dms
626	LiCN	lithium cyanide	licn
627	NaCN	Sodium Cyanide	nacn
628	KCN	Potassium cyanide	kcn
629	CuCN	Copper cyanide	cucn
630	ZnCN	Zinc monocyanide	zncn
631	ZnNC	Zinc isocyanide	znnc
632	CN2	3H-Diazirin-3-ylidene	cn2
633	CNN	Diazocarbene	cnn
634	NCN	Cyanoimidogen	ncn
635	N3	azide radical	n3
636	N3-	azide anion	n3-
637	N3+	azide cation	n3+
638	HCCN	cyanomethylene	hccn
639	HCNN	diazomethyl radical	hcnn
640	HN3+	Hydrazoic acid cation	hn3+
641	CH2N2	diazirine	ch2n2
642	CH2NN	diazomethane	ch2nn
643	NH2CN	cyanamide	cyanamide
644	CH3CN+	Acetonitrile cation	ch3cn+
645	CH3NC	methyl isocyanide	ch3nc
646	CHNCH2	2H-Azirine	c157164
647	CHNHCH	1H-Azirine	chnhch
648	H2CCNH	Ethenimine	ch2cnh
649	H2CNCH	methyleneaminomethylene	ch2nch
650	HCCNH2	Ethynamine	hccnh2
651	HNCNH2+	diiminomethane, protonated	hncnh2+
652	NCNH3+	Cyanamide, protonated	ncnh3+
653	CH2CHNH	vinylazine	ch2chnh
654	CH3CHN	methylmethaniminyl radical	ch3chn
655	NHCHNH2	aminomethanimine	cn2h4
656	C2H5N	Aziridine	c2h5n
657	CH2CHNH2	aminoethene	aminoethene
658	CH2NCH3	N-methylmethanimine	nmm
659	CH3CHNH	ethanimine	ethanimine
660	NH2BHNH2	diaminoborane	nh2bhnh2
661	C2H5NH+	Protonated Aziridine	c2h5nh+
662	C2H6N+	aziridine, protonated	c2h6n+
663	NH2CH2NH2	diaminomethane	nh2ch2nh2
664	CH3CH2NH2	Ethylamine	etam
665	CH3NHCH3	Dimethylamine	ch3nhch3
666	CH3PHCH3	dimethylphosphine	ch3phch3
667	NH2CH2NH3+	diaminoethane, protonated	pdam
668	(CH3)2NH2+	dimethylammonium cation	dmam
669	CH3CH2NH3+	ethylamine, protonated	pea
670	Li2O	dilithium oxide	li2o
671	Li2O+	dilithium oxide cation	li2o+
672	Li2S	dilithium sulfide	li2s
673	Na2O	disodium monoxide	na2o
674	CCO	Dicarbon monoxide	cco
675	CNO-	fulminate	cno-
676	NCO	isocyanato radical	nco
677	NCO-	cyanate	nco-
678	SCN	thiocyanato radical	scn
679	SCN-	thiocyanide anion	scn-
680	BO2	Boron dioxide	bo2
681	BO2-	Boron dioxide anion	bo2-
682	BO2+	Boron dioxide cation	bo2+
683	N2O-	Nitrous oxide anion	n2o-
684	N2O+	Nitrous oxide cation	n2o+
685	NNS	Nitrogen sulfide	nns
686	PPO	Phosphorus oxide phosphide	ppo
687	CO2-	Carbon dioxide anion	co2-
688	CO2+	Carbon dioxide cation	co2+
689	OCS+	Carbonyl sulfide cation	cos+
690	SiO2	silicon dioxide	sio2
691	CS2-	Carbon disulfide anion	cs2-
692	CS2+	Carbon disulfide cation	cs2+
693	TiO2	Titanium dioxide	tio2
694	SiS2	Silicon disulfide	sis2
695	GeS2	Germanium disulfide	ges2
696	CSe2	Carbon diselenide	cse2
697	SCTe	Carbon sulfide Telluride	scte
698	NO2-	Nitrogen dioxide anion	no2-
699	NO2+	Nitrogen dioxide cation	no2+
700	PO2	Phosphorus dioxide	po2
701	PO2-	Phosphorus dioxide anion	po2-
702	PO2+	Phosphorus dioxide cation	po2+
703	AsO2	Aresenic dioxide	aso2
704	O3	Ozone	o3
705	O3-	Ozone anion	o3-
706	O3+	Ozone cation	o3+
707	SO2-	Sulfur dioxide anion	so2-
708	SO2+	Sulfur dioxide cation	so2+
709	S3-	Sulfur trimer anion	s3-
710	S3+	Sulfur trimer cation	s3+
711	SeO2+	Selenium dioxide cation	seo2+
712	TeO2	Tellurium Dioxide	teo2
713	HCCO	ketenyl radical	ketenyl
714	CS2H+	Carbon disulfide, protonated	cs2h+
715	HNCO	Isocyanic acid	hnco
716	HOCN	cyanic acid	hocn
717	HNCS	Isothiocyanic acid	hncs
718	HSCN	thiocyanic acid	hscn
719	HCO2-	formate anion	hco2-
720	HNNO	nitrosoazane	hnno
721	HNNO+	Nitrous oxide, N-protonated	hnno+
722	NNOH+	Nitrous Oxide, O-protonated	nnoh+
723	HCOO	formate neutral radical	hcoo
724	HOCO+	Hydrocarboxyl cation	hoco+
725	HNO2	Nitrous acid	hno2
726	HNO2+	nitrous acid cation	hno2+
727	SO2H+	protonated sulfur dioxide	so2h+
728	CH2CO+	Ketene cation	ch2co+
729	HCCOH	ethynol	hccoh
730	Be(OH)2	Beryllium hydroxide	beo2h2
731	Mg(OH)2	Magnesium dihydroxide	h2mgo2
732	NH2NO	Nitrosamide	nh2no
733	CH2O2	Dioxirane	diox
734	H2COO	Dioxymethyl radical	h2coo
735	H2COO+	dioxymethyl cation	h2coo+
736	H2O3	Hydrogen trioxide	h2o3
737	HSSSH	trisulfane	hsssh
738	NaOCH3	Sodium methoxide	naoch3
739	CH2BOH	hydroxy(methylene)borane	ch2boh
740	CH3BO	Borane, methyloxo-	ch3bo
741	CH2CHO	Vinyloxy radical	ch2cho
742	CH2COH+	ketene, protonated	ch2coh+
743	CH3CO	Acetyl radical	ch3co
744	CH3CO-	Acetyl anion	ch3co-
745	CH3CO+	acetyl cation	ch3co+
746	CH2NOH	formaldoxime	ch2noh
747	CH3NO	nitrosomethane	ch3no
748	CHONH2	formamide	formamide
749	CNOH3	1,2-oxaziridine	cnoh3
750	HOCHNH	hydroxymethylimine	hochnh
751	CHSNH2	thioformamide	chsnh2
752	CH2OOH	CH2OOH radical	ch2ooh
753	CH3OO	methylperoxy radical	ch3oo
754	CH3OO-	methylperoxy anion	ch3oo-
755	CH3OO+	methylperoxy cation	ch3oo+
756	CH2CHOH	ethenol	ch2choh
757	CH2CHSH	Ethenethiol	ch2chsh
758	H2CONH2+	protonated formamide	h2conh2+
759	NH3CHO+	Formamide, N-Protonated	nh3cho+
760	CH2(OH)2	methanediol	ch2o2h2
761	CH3OOH	Methyl peroxide	ch3ooh
762	H2OH2CO	water formaldehyde dimer	h2oh2co
763	C2H4OH+	ethylene oxide, protonated	c2h4oh+
764	CH2CH2OH	2-hydroxy ethyl radical	ch2ch2oh
765	CH3CH2O	Ethoxy radical	ethoxy
766	CH3CHOH	1-hydroxy-ethyl radical	ch3choh
767	CH3CHOH+	acetaldehyde, protonated	ch3choh+
768	CH3OCH2	methoxymethyl radical	ch3och2
769	NH2CH2OH	aminomethanol	nh2ch2oh
770	CH3SCH3+	dimethyl sulfide cation	mesme+
771	CH3SeCH3	dimethylselenide	dmse
772	CH3OHH2O	methanol water dimer	ch3ohh2o
773	H2OCH3OH	water methanol dimer	h2och3oh
774	CuF2	Copper difluoride	cuf2
775	ZnF2	Zinc difluoride	znf2
776	CNF	iso cyanogen fluoride	cnf
777	FCN	Cyanogen fluoride	fcn
778	ClCN	chlorocyanogen	clcn
779	ICN	Cyanogen iodide	icn
780	BeF2	Beryllium fluoride	bef2
781	MgF2	Magnesium fluoride	mgf2
782	BeCl2	Beryllium chloride	becl2
783	MgCl2	Magnesium dichloride	mgcl2
784	CaCl2	Calcium Chloride	cacl2
785	ZnCl2	Zinc dichloride	zncl2
786	CaBr2	Calcium dibromide	cabr2
787	CaF2	Calcium difluoride	caf2
788	FCO	Carbonyl fluoride	fco
789	FCO+	Carbonyl fluoride cation	fco+
790	ClCO	carbonyl monochloride	clco
791	BF2	Boron difluoride radical	bf2
792	FNS	Thionitrosyl fluoride	fns
793	FSN	Thiazyl fluoride	fsn
794	OPCl	Phosphorus oxychloride	opcl
795	BrNO	Nitrosyl bromide	brno
796	INO	Nitrosyl iodide	ino
797	CF2-	Difluoromethylene anion	cf2-
798	CF2+	Difluoromethylene cation	cf2+
799	CFCl	chlorofluoromethylene	cfcl
800	SiF2+	Silicon difluoride cation	sif2+
801	CCl2	dichloromethylene	ccl2
802	CCl2-	dichloromethylene anion	ccl2-
803	CCl2+	dichloromethylene cation	ccl2+
804	SiCl2	Dichlorosilylene	sicl2
805	GeF2	Germanium difluoride	gef2
806	CBr2	dibromomethylene	cbr2
807	FOO	Dioxygen monofluoride radical	foo
808	ClOO	chloroperoxy radical	cloo
809	ClOO+	chloroperoxy cation	cloo+
810	OClO-	Chlorine dioxide anion	oclo-
811	OClO+	Chlorine dioxide cation	oclo+
812	ClSO	Sulfur chloride oxide	clso
813	ClS2	Sulfur chloride	cls2
814	OBrO	Bromine dioxide radical	obro
815	NF2	Difluoroamino radical	nf2
816	NF2+	Difluoroamino cation	nf2+
817	FClO	chlorosyl fluoride	fclo
818	F2O	Difluorine monoxide	f2o
819	ClOF	Chlorine hypofluorite	clof
820	SF2-	sulfur difluoride anion	sf2-
821	SF2+	sulfur difluoride cation	sf2+
822	Cl2O	Dichlorine monoxide	cl2o
823	SCl2	Sulfur dichloride	scl2
824	BrOCl	Bromine hypochlorite	brocl
825	BrOBr	Bromine oxide	brobr
826	F3-	trifluoride anion	f3-
827	Cl3-	trichloride anion	cl3-
828	I3-	triiodide	i3-
829	HCCF+	fluoroacetylene cation	hccf+
830	HCCCl	Chloroacetylene	hcccl
831	HCCBr	bromoacetylene	hccbr
832	HFCO	formyl fluoride	hfco
833	HFCO+	formyl fluoride cation	hfco+
834	COHCl	Formyl chloride	cohcl
835	COHBr	Formyl bromide	cohbr
836	BHF2	Difluoroborane	bhf2
837	BHCl2	Borane, dichloro-	bhcl2
838	CHCl2	dichloromethyl radical	chcl2
839	CHBr2	dibromomethyl radical	chbr2
840	HOClO	Chlorous acid	hoclo
841	CH2FCl	fluorochloromethane	ch2fcl
842	CH2BrF	Methane, bromofluoro-	ch2fbr
843	CH2FI	fluoroiodomethane	ch2fi
844	CH2ClI	chloroiodomethane	ch2cli
845	CH2BrI	bromoiodomethane	ch2bri
846	CH2I2	Diiodomethane	ch2i2
847	SiH2Cl2	dichlorosilane	sih2cl2
848	CH2CHF+	fluoroethene cation	ch2chf+
849	C2H3Cl	Ethene, chloro-	ch2chcl
850	C2H3Br	vinyl bromide	c2h3br
851	C2H3I	Vinyl iodide	c2h3i
852	CH3OCl	methyl hypochlorite	ch3ocl
853	CH2CH2Cl	2-chloroethyl radical	ch2ch2cl
854	CHClCH3	1-chloroethyl radical	chclch3
855	C2H5F	fluoroethane	c2h5f
856	CH3CH2Cl	Ethyl chloride	c2h5cl
857	CH3SiFH2	fluoromethylsilane	ch3sifh2
858	C2H5I	Ethyl iodide	c2h5i
859	KrF2	Krypton difluoride	krf2
860	XeF2	Xenon difluoride	xef2
861	B4H10	Tetraborane(10)	b4h10
862	C4+	Carbon tetramer cation	c4+
863	C4H2	Diacetylene	c4h2
864	C2H3CCH	1-Buten-3-yne	c2h3cch
865	C4H4	cyclobutadiene	cbd
866	H2CCCCH2	Butatriene	h2cccch2
867	C4H6	Cyclobutene	c822355
868	C4H6	Methylenecyclopropane	c6142730
869	CH2CCHCH3	1,2-Butadiene	butad12
870	CH2CHCHCH2	1,3-Butadiene	c106990
871	CH3CCCH3	2-Butyne	c503173
872	CHCCH2CH3	1-Butyne	c107006
873	CH3CHCHCH2	methylallyl radical	c4h7
874	C4H8	methylcyclopropane	mcp
875	CH2C(CH3)CH3	1-Propene, 2-methyl-	isobute
876	CH2CHCH2CH3	1-Butene	bute1
877	CH3CHCHCH3	2-Butene, (E)-	bute2e
878	CH3CHCHCH3	2-Butene, (Z)-	bute2z
879	B(CH3)3	trimethylborane	bme3
880	Al(CH3)3	trimethyl aluminum	tma
881	C(CH3)3	Tert-butyl radical	tbutyl
882	CH2CH(CH3)2	Isobutyl radical	isobutyl
883	CH3CHCH2CH3	2-Butyl radical	butyl2
884	CH3CH(CH3)CH3	Isobutane	isobutane
885	CH3CH2CH2CH3	Butane	butane
886	SiH(CH3)3	trimethylsilane	trimsi
887	Li3N	trilithium nitride	li3n
888	C2N2	Cyanogen	c2n2
889	C2N2+	Cyanogen cation	c2n2+
890	P4	Phosphorus tetramer	p4
891	HCCCN	Cyanoacetylene	hcccn
892	HCCCN+	Cyanoacetylene cation	hcccn+
893	C3H3N	acrylonitrile	ch2chcn
894	C3H3N+	acrylonitrile cation	ch2chcn+
895	CH3N3	methyl azide	ch3n3
896	NH2CCNH2	Diaminoacetylene	daa
897	NH2CH2CN	Aminoacetonitrile	aan
898	CH3NHN2+	methyl azide, protonated	ch3nhn2+
899	CH5N3	Guanidine	guanidine
900	C4H6	Bicyclo[1.1.0]butane	c157335
901	CH3NNCH3	(Z)-1,2-Dimethyldiazene	dmdiazz
902	CH6N3+	guanidinium	ch6n3+
903	C3H7N	Cyclopropylamine	cpram
904	CH7N3	triaminomethane	tam
905	C3H7N	Azetidine	azet
906	C4H8	cyclobutane	cbutane
907	C2H8N2	Ethylenediamine	ethdiam
908	CH3NHNHCH3	dimethyl hydrazine	dmh
909	CH3CH(NH2)CH3	2-Propanamine	pram2
910	N(CH3)3	Trimethylamine	trimeam
911	NH2CH2CH2CH3	1-Propanamine	pram1
912	P(CH3)3	trimethylphosphine	tmp
913	As(CH3)3	trimethyl arsine	tmas
914	(CH3)3NH+	protonated trimethyl amine	ptma
915	C3H7NH3+	n-propylamine, protonated	c3h7nh2
916	Li2O2	dilithium dioxide	li2o2
917	K2O2	dipotassium dioxide	k2o2
918	C3O	Tricarbon monoxide	c3o
919	B2O2	Diboron dioxide	b2o2
920	S2N2	Disulfur dinitride	s2n2
921	CO3	Carbon trioxide	co3
922	CO3--	carbonate	co3--
923	CS3--	Carbonotrithioate	cs3--
924	NO3	Nitrogen trioxide	no3
925	NO3-	nitrate anion	no3-
926	NO3+	nitrogen trioxide cation	no3+
927	SO3-	Sulfur trioxide anion	so3-
928	SO3+	Sulfur trioxide cation	so3+
929	SeO3	selenium trioxide	seo3
930	TeO3	Tellurium trioxide	teo3
931	HCO3-	bicarbonate anion	hco3-
932	HSO3	Hydroxysulfonyl radical	hso3
933	NH2NO2	nitramide	nh2no2
934	C2H2CO	cyclopropenone	c2h2co
935	HCCCHO	2-propynal	hcccho
936	C2H2O2+	Ethanedial cation	c2h2o2+
937	H2CO3	Carbonic acid	h2co3
938	H2CS3	thiocarbonic acid	h2cs3
939	H2NO3+	Nitric Acid, Protonated	h2no3+
940	H2SO3	Sulfurous acid	h2so3
941	C2H3NO	Nitrosoethylene	c2h3no
942	HOCH2CN	cyanomethanol	hoch2cn
943	CH3COO-	acetate anion	ch3coo-
944	CH3NO2	Methane, nitro-	ch3no2
945	CH3ONO	Methyl nitrite	ch3ono
946	NH2COOH	Carbamic acid	nh2cooh
947	H3BO3	Boric acid	h3bo3
948	H3CO3+	carbonic acid, protonated	h3co3+
949	C3H4O	2-Propyn-1-ol	c107197
950	C3H4O	allenol	c9000071
951	C3H4O	Cyclopropanone	cpone
952	C3H4O	Methylketene	c6004440
953	NH2CONH2	Urea	urea
954	NH2CONH2+	Urea cation	urea+
955	NH2CSNH2	Thiourea	thiourea
956	C2H4O2	1,3-dioxetane	c2h4o2
957	CH3COOH	Acetic acid	ch3cooh
958	CH3OCHO	methyl formate	ch3ocho
959	CHOCH2OH	hydroxy acetaldehyde	haa
960	NH2COOH2+	Carbamic acid, O-protonated	nh2cooh2+
961	NH3COOH+	protonated Carbamic acid	nh3cooh+
962	H2OHCOOH	Water formic acid dimer 1	h2ohcooh_10
963	H2OHCOOH	Water formic acid dimer 2	h2ohcooh_11
964	HCOOHH2O	Formic acid water dimer	hcoohh2o
965	HOCH2OOH	hydroxy methyl peroxide	hoch2ooh
966	CH3COCH2	Acetonyl radical	ch3coch2
967	CH3CHNOH	Acetaldoxime	acetaldoxime
968	CH3CONH2	Acetamide	acetamide
969	HCONHCH3	N-methylformamide	nmfa
970	CH5N2O+	urea, N-protonated	ch4n2o+
971	H2NCOHNH2+	urea, protonated	ureah+
972	C2H5OO	ethylperoxy radical	c2h5oo
973	CH3NNCH3	(E)-1,2-Dimethyldiazene	dmdiaze
974	C3H5OH	Cyclopropanol	cproh
975	C3H6O	2-Propen-1-ol	c107186
976	C3H6O	Acetone enol	enol
977	C3H6O	Oxetane	oxetane
978	C3H6O	Propylene oxide	prox
979	CH3COCH3-	acetone anion	ch3coch3-
980	C3H6S	Thietane	thietane
981	C3H6S	Thiirane, methyl-	methiirane
982	CH3CSCH3	Thioacetone	ch3csch3
983	C2H6O2	1,2-Ethanediol	ethdiol
984	CH3OOCH3	dimethylperoxide	dmp
985	CH2SHCH2SH	1,2-Ethanedithiol	ethdisl
986	CH3SSCH3	Disulfide, dimethyl	ch3ssch3
987	CH3COHCH3+	acetone, protonated	acetoneh+
988	HOCH2CH2NH2	monoethanolamine	mea
989	CH3CHOHCH3	Isopropyl alcohol	isoproh
990	CH3OC2H5	Ethane, methoxy-	etome
991	C3H7SH	1-Propanethiol	prsh
992	CH3CHSHCH3	2-Propanethiol	isoprsh
993	CH3SCH2CH3	Ethane, (methylthio)-	etsme
994	H2OCH3OCH3	water dimethylether dimer	h2och3och3
995	Na2F2	Sodium Fluoride Dimer	na2f2
996	Na2Cl2	Disodium dichloride	na2cl2
997	C2F2	difluoroacetylene	c2f2
998	C2Cl2	dichloroacetylene	c2cl2
999	C2Cl2+	dichloroacetylene cation	c2cl2+
1000	FNO2	Nitryl fluoride	fno2
1001	FONO	Nitrosyl hypofluorite	fono
1002	ClNO2	Nitryl chloride	clno2
1003	ClONO	chlorine nitrite	clono
1004	BrONO	Bromine nitrite	brono
1005	N2F2	(Z)-Difluorodiazene	n2f2_z
1006	N2F2	Dinitrogen difluoride, (E)-	n2f2_e
1007	COFCl	Carbonic chloride fluoride	cofcl
1008	CCl2O	Phosgene	cl2co
1009	Cl2CS	Thiophosgene	cl2cs
1010	COBr2	Carbonic dibromide	cobr2
1011	BF3	Borane, trifluoro-	bf3
1012	BF3-	Borane, trifluoro- anion	bf3-
1013	AlF3	Aluminum trifluoride	alf3
1014	BClF2	Chlorodifluoroborane	bclf2
1015	AlF2Cl	Aluminum chloride difluoride	alclf2
1016	ScF3	Scandium trifluoride	ScF3
1017	AlFCl2	Aluminum dichloride fluoride	alcl2f
1018	AlCl3	Aluminum trichloride	alcl3
1019	GaCl3	Gallium trichloride	gacl3
1020	BBr3	Boron tribromide	bbr3
1021	AlBr3	Aluminum Bromide	albr3
1022	ClO3	Chlorine trioxide	clo3
1023	ClO3-	chlorate anion	clo3-
1024	BrO3-	Bromate anion	bro3-
1025	CF3	Trifluoromethyl radical	cf3
1026	CF3-	Trifluoromethyl anion	cf3-
1027	CF3+	Trifluoromethyl cation	cf3+
1028	SiF3	Silicon trifluoride radical	sif3
1029	SiF3+	Silicon trifluoride cation	sif3+
1030	CCl3	Trichloromethyl radical	ccl3
1031	CCl3-	Trichloromethyl anion	ccl3-
1032	CCl3+	Trichloromethyl cation	ccl3+
1033	SiCl3	trichlorosilyl radical	sicl3
1034	SiCl3+	trichlorosilyl cation	sicl3+
1035	CBr3	tribromomethyl radical	cbr3
1036	FOOF	Perfluoroperoxide	foof
1037	ClO2F	Chloryl fluoride	clo2f
1038	F2SO	Thionyl Fluoride	f2so
1039	ClOOCl	Dichlorine dioxide	cloocl
1040	FSSF	Difluorodisulfane	fssf
1041	S2F2	Thio-thionyl fluoride	s2f2
1042	SOCl2	thionyl chloride	socl2
1043	SeOCl2	selenium oxychloride	seocl2
1044	NF3-	Nitrogen trifluoride anion	nf3-
1045	NF3+	Nitrogen trifluoride cation	nf3+
1046	PF3	Phosphorus trifluoride	pf3
1047	NCl3	nitrogen trichloride	ncl3
1048	AsF3	Arsenic trifluoride	asf3
1049	PCl3	Phosphorus trichloride	pcl3
1050	SbF3	Antimony Trifluoride	sbf3
1051	AsCl3	Arsenous trichloride	ascl3
1052	SbCl3	Antimony Trichloride	sbcl3
1053	PBr3	Phosphorus tribromide	pbr3
1054	AsBr3	Arsenic tribromide	asbr3
1055	NI3	Nitrogen triiodide	ni3
1056	PI3	Phosphorus triiodide	pi3
1057	ClSSCl	Disulfur dichloride	s2cl2
1058	SF3	Sulfur trifluoride	sf3
1059	ClF3	Chlorine trifluoride	clf3
1060	BrF3	Bromine trifluoride	brf3
1061	IF3	iodone trifluoride	if3
1062	HClO3	Chloric Acid	hclo3
1063	CHF2Cl	difluorochloromethane	chf2cl
1064	CHFCl2	fluorodichloromethane	chfcl2
1065	CDCl3	trichloromethane-d	cdcl3
1066	CHCl3	Chloroform	chcl3
1067	SiHCl3	Trichlorosilane	sihcl3
1068	CHF2I	difluoroiodomethane	chf2i
1069	CHFClI	fluorochloroiodomethane	chfcli
1070	CHCl2I	dichloroiodomethane	chcl2i
1071	CHClBr2	Methane, dibromochloro-	chclbr2
1072	CHBr3	bromoform	chbr3
1073	CHI3	Iodoform	chi3
1074	NF3H+	protonated nitrogen trifluoride	nf3h+
1075	AsF3H+	Arsenic trifluoride, protonated	asf3h+
1076	C2H2F2	Ethene, 1,2-difluoro-, (E)-	c2h2f2e
1077	C2H2F2	Ethene, 1,2-difluoro-, (Z)-	c2h2f2z
1078	CH2CF2	Ethene, 1,1-difluoro-	ch2cf2
1079	C2H2ClF	1-chloro-1-fluoroethylene	c2h2clf
1080	CHFCHCl	(E)-1-chloro-2-fluoroethene	chfchcle
1081	CHFCHClz	(Z)-1-Chloro-2-fluoroethene	chfchclz
1082	CH2CCl2	Ethene, 1,1-dichloro-	ch2ccl2
1083	CHClCHCl	Ethene, 1,2-dichloro-, (E)-	chclchcle
1084	CHClCHCl	Ethene, 1,2-dichloro-, (Z)-	chclchclz
1085	C2H2Br2	1,1-dibromoethene	c2h2br2
1086	CHBrCHBr	Ethene, 1,2-dibromo-, (E)-	chbrchbre
1087	CHBrCHBr	Ethene, 1,2-dibromo-, (Z)-	chbrchbrz
1088	CH2FCHO	Fluoroacetaldehyde	ch2fcho
1089	CH3COF	Acetyl fluoride	ch3cof
1090	CH2ClCHO	chloroacetaldehyde	ch2clcho
1091	CH3COCl	Acetyl Chloride	ch3cocl
1092	CH2FCH2Cl	Ethane, 1-chloro-2-fluoro-	ch2fch2cl
1093	CH3CHFCl	Ethane, 1-chloro-1-fluoro-	ch3chfcl
1094	CH2ClCH2Cl	Ethane, 1,2-dichloro-	ch2clch2cl
1095	CH3CHCl2	Ethane, 1,1-dichloro-	ch3chcl2
1096	CH2BrCH2Cl	1-bromo-2-chloroethane	ch2brch2cl
1097	CH2BrCH2Br	Ethane, 1,2-dibromo-	ch2brch2br
1098	CH2CFCH3	2-fluoropropene	2fpro
1099	C3H5Cl	1-Propene, 3-chloro-	prop1cl3
1100	C3H5Cl	1-chloro-1-propene(E)	prop1cl1e
1101	C3H5Cl	1-chloro-1-propene(Z)	prop1cl1z
1102	CH2FCH2OH	2-fluoroethanol	ch2fch2oh
1103	CH2ClCH2OH	2-Chloroethanol	ch2clch2oh
1104	CH2ClCH2OH2+	2-chloroethanol, protonated	ch2clch2oh2+
1105	CH3CHFCH3	2-Fluoropropane	prf2
1106	CH2ClCH2CH3	Propane, 1-chloro-	prcl1
1107	CH3CH2CH2Br	n-propyl bromide	prbr
1108	CH3CHBrCH3	i-propyl bromide	iprbr
1109	C3H9O+	trimethyl oxonium cation	c3h9o+
1110	B5H9	pentaborane9	b5h9
1111	C5H5	cyclopentadienyl radical	c5h5
1112	C5H5-	cylopentadienyl anion	c5h5-
1113	C5H6	1,3-Cyclopentadiene	c542927
1114	C5H6	1-Buten-3-yne, 2-methyl-	c78808
1115	C5H6	3-Penten-1-yne, (E)-	c2004695
1116	C5H6	3-Penten-1-yne, (Z)-	c1574409
1117	C5H6	Bicyclo[2.1.0]pent-2-ene	c5164352
1118	C5H6	Cyclopropylacetylene	c6746947
1119	C5H6	Propellane	propellane
1120	C5H7	1,3-pentadienyl radical	pdyl
1121	C5H7	cyclopentenyl radical	cpyl
1122	C5H8	1,2-Butadiene, 3-methyl-	c598254
1123	C5H8	1,2-Pentadiene	c591957
1124	C5H8	1,3-Butadiene, 2-methyl-	c78795
1125	C5H8	1,3-Pentadiene, (E)-	c2004708
1126	C5H8	1,3-Pentadiene, (Z)-	c1574410
1127	C5H8	1,4-Pentadiene	c591935
1128	C5H8	1-pentyne	a1pentyne
1129	C5H8	2,3-Pentadiene	c591968
1130	C5H8	Bicyclo[1.1.1]pentane	bcp
1131	C5H8	Cyclobutane, methylene-	c1120565
1132	C5H8	Cyclopentene	c142290
1133	C5H8	Ethenylcyclopropane	c693867
1134	CH3CCCH2CH3	2-Pentyne	2pentyne
1135	C5H10	1-Butene, 2-methyl-	c563462
1136	C5H10	2-Butene, 2-methyl-	c513359
1137	C5H10	2-Pentene, (E)-	c646048
1138	C5H10	2-Pentene, (Z)-	c627203
1139	C5H10	Cyclopentane	c287923
1140	C5H10	Cyclopropane, 1,1-dimethyl-	c1630940
1141	CH2CHCH2CH2CH3	1-pentene	pentene
1142	C5H11	2-Methylbut-2-yl radical	c4348350
1143	C5H12	Butane, 2-methyl-	buta2
1144	C5H12	Pentane	pentane
1145	C5H12	Propane, 2,2-dimethyl-	neopentane
1146	Si(CH3)4	tetramethylsilane	tms
1147	N2O3	Dinitrogen trioxide	n2o3
1148	C3H2N2	Malononitrile	c3h2n2
1149	CH2N4	1H-Tetrazole	1htz
1150	C3H3N2	imidazolyl radical	im
1151	C3H3N2-	imidizolyl anion	im-
1152	C2H3N3	1H-1,2,4-Triazole	c288880
1153	C4H4N	pyrrolide radical	c4h4n
1154	C4H4N-	pyrrolide anion	c4h4n-
1155	C3H4N2	1H-Imidazole	1himidaz
1156	C3H4N2	1H-Pyrazole	1hpyraz
1157	C3H4N2	2H-Imidazole	imid2h
1158	C3H4N2	4H-Imidazole	imid4h
1159	C4H5N	(E)-2-Butenenitrile	c627269
1160	C4H5N	(Z)-2-Butenenitrile	c1190767
1161	C4H5N	2H-pyrrole	pyrrole2
1162	C4H5N	3H-pyrrole	pyrrole3
1163	C4H5N	Cyclopropanecarbonitrile	c5500210
1164	C4H5N	Pyrrole	pyrrole
1165	CH2CHCH2CN	Allylcyanide	ch2chch2cn
1166	C4H6N+	pyrrole, alpha-protonated	appyr
1167	C4H6N+	pyrrole, beta-protonated	bppyr
1168	C4H6N+	pyrrole, protonated	ppyr
1169	C3H6N2	3-Aminopropionitrile	c151188
1170	CH3CH(CH3)CN	Propanenitrile, 2-methyl-	c4h7n
1171	CH3CH2CH2CN	Butanenitrile	c109740
1172	C5H8	Bicyclo[2.1.0]pentane	c185944
1173	C5H8	Spiropentane	c157404
1174	C4H9N	Cyclobutylamine	cbam
1175	C4H9N	Pyrrolidine	pyrrolidine
1176	C3H10N2	1,2-Diaminopropane	diampr12
1177	C(CH3)3NH2	2-Propanamine, 2-methyl-	c75649
1178	C(NH2)H2C(CH3)HCH3	1-Propanamine, 2-methyl-	c78819
1179	C(NH2)H2CH2CH2CH3	1-Butanamine	butam1
1180	CH3C(NH2)HCH2CH3	2-Butanamine	butam2
1181	NH(C2H5)2	diethylamine	dea
1182	NC4H12+	tetramethyl ammonium cation	nc4h12+
1183	C3O2+	Carbon suboxide cation	c3o2+
1184	MgCO3	Magnesium Carbonate	mgco3
1185	BeCO3	Beryllium Carbonate	beco3
1186	CaCO3	Calcium Carbonate	caco3
1187	ONONO	Nitrosyl nitrite	onono
1188	PO4---	phosphate	po4---
1189	SO4--	sulfate	so4--
1190	HOONO2	peroxy nitric acid	hoono2
1191	HSO4-	bisulfate anion	hso4-
1192	C2H2N2S	1,3,4-Thiadiazole	c2h2n2s
1193	C3H2O2	Propiolic acid	c3h2o2
1194	CHOCOOH	oxo acetic acid	oaa
1195	H2SO4	Sulfuric acid	h2so4
1196	H2SeO4	Selenic acid	h2seo4
1197	C3H3NO	Oxazole	oxazole
1198	CH3C(O)OO	acetyl peroxy radical	ch3coo2
1199	CH3NO3	Methyl nitrate	ch3no3
1200	H3PO4	Phosphoric Acid	h3po4
1201	C4H4O	Furan	furan
1202	C4H4O+	Furan cation	furan+
1203	CH3COCCH	3-butyn-2-one	c1423605
1204	C4H4S	Thiophene	furans
1205	C3H4O2	β–Propiolactone	beta
1206	C3H4O2	2-Propenoic acid	propenoic2
1207	C3H4O2	Methyl glyoxal	megly
1208	C3H4O2	propanedial	propanedial
1209	C3H4O2	propenalol	propenalol
1210	HOCHCCHOH	allenediol	aldiol
1211	C2H4O3	1,2,3-trioxolane	c2h4o3
1212	C2H4O3	trioxolane124	triox
1213	HOCH2COOH	Hydroxyacetic acid	hac
1214	CH2CHCONH2	Acrylamide	c79061
1215	CH3OCH2CN	Methoxyacetonitrile	c1738369
1216	CH5N3S	Hydrazinecarbothioamide	c79196
1217	H2NCH2COOH	Glycine	glycine
1218	CH3SO2NH2	methanesulfonamide	ch3so2nh2
1219	C4H6O	cis-2-butenal	butenal2c
1220	C4H6O	Cyclobutanone	cbutone
1221	C4H6O	Furan, 2,3-dihydro-	furan23h
1222	C4H6O	Furan, 2,5-dihydro-	furan25h
1223	CH2CHOCHCH2	Vinyl ether	vinylether
1224	CHOCHCHCH3	2-Butenal	butenal2
1225	C4H6S	Thiophene, 2,3-dihydro-	thiop23h
1226	C4H6S	Thiophene, 2,5-dihydro-	thiop25h
1227	CH2CHSCHCH2	Divinyl sulfide	divis
1228	C2H6N2O	Urea, methyl-	c598505
1229	C3H6O2	1,3-Dioxolane	dioxolane
1230	CH3CH2COOH	Propanoic Acid	propanoic
1231	CH3COOCH3	methyl acetate	aame
1232	HCOOC2H5	Ethyl formate	faee
1233	C2H6O2S	Dimethyl sulfone	c67710
1234	CH3SSSCH3	dimethyl trisulfide	c2h6s3
1235	C3H7NO	dimethylformamide	dmf
1236	C3H7NO	Propanamide	propanam
1237	C2H3OC2H5	Ethene, ethoxy-	c109922
1238	C4H8O	Cyclobutanol	c2919235
1239	C4H8O	Furan, tetrahydro-	thf
1240	CH2C(CH3)OCH3	1-Propene, 2-methoxy-	pre1meo2
1241	CH3COCH2CH3	2-Butanone	buta2one
1242	CHOCH(CH3)CH3	Propanal, 2-methyl-	c78842
1243	CHOCH2CH2CH3	Butanal	butanal
1244	C4H8S	Thiophene, tetrahydro-	tht
1245	C3H8O2	1,3-Propanediol	c504632
1246	C3H8O2	Hydroperoxide, 1-methylethyl	c3031752
1247	C3H8O2	Methane, dimethoxy-	c109875
1248	C3H8O2	Propylene glycol	c57556
1249	C3H8S2	1,3-Propanedithiol	c109808
1250	C4H10O	1-Butanol	butanol1
1251	C4H10O	1-Propanol, 2-methyl-	c78831
1252	C4H10O	2-Butanol, (.+/-.)-	butanol2
1253	C4H10O	Ethanol, 1,1-dimethyl-	tbuoh
1254	C4H10O	Methyl propyl ether	meopr
1255	C4H10O	Propane, 2-methoxy-	c598538
1256	C4H10O+	1-Butanol cation	butanol1+
1257	C(CH3)3SH	2-Propanethiol, 2-methyl-	tbush
1258	C2H5SC2H5	Diethyl sulfide	etset
1259	C4H9SH	1-Butanethiol	bush
1260	CH2(SH)CH(CH3)CH3	1-Propanethiol, 2-methyl-	c513440
1261	CH3C(SCH3)HCH3	Propane, 2-(methylthio)-	mesipr
1262	CH3CH(SH)CH2CH3	2-Butanethiol	butansl2
1263	FNO3	Fluorine nitrate	fno3
1264	ClONO2	Chlorine nitrate	clono2
1265	BrONO2	Bromine nitrate	brono2
1266	TiCl4	Titanium tetrachloride	ticl4
1267	ClO4-	perchlorate anion	clo4-
1268	BF4-	tetrafluoroboron anion	bf4-
1269	ClFO3	Perchloryl fluoride	clfo3
1270	SO2F2	Sulfuryl fluoride	so2f2
1271	SO2Cl2	Sulfuryl chloride	so2cl2
1272	F3NO	Nitrogen trifluoride oxide	f3no
1273	F3PO	Phosphoryl fluoride	pf3o
1274	Cl3PO	Phosphoryl chloride	pcl3o
1275	CF4	Carbon tetrafluoride	cf4
1276	SiF4	Silicon tetrafluoride	sif4
1277	TiF4	Titanium tetrafluoride	tif4
1278	CFCl3	Trichloromonofluoromethane	cfcl3
1279	CCl4+	Carbon tetrachloride cation	ccl4+
1280	CBrClF2	Methane, bromochlorodifluoro-	cbrclf2
1281	SiCl4	Silane, tetrachloro-	sicl4
1282	CBrCl2F	bromodichlorofluoromethane	cbrcl2f
1283	CF3I	trifluoroiodomethane	cf3i
1284	CBrCl3	Methane, bromotrichloro-	cbrcl3
1285	CBr2F2	Methane, dibromodifluoro-	cbr2f2
1286	GeCl4	Germanium Tetrachloride	gecl4
1287	CBr2Cl2	dibromodichloromethane	cbr2cl2
1288	CCl3I	trichloroiodomethane	ccl3i
1289	CFBr3	fluorotribromomethane	cfbr3
1290	CFClBrI	fluorochlorobromoiodomethane	cfclbri
1291	CBr3Cl	tribromochloromethane	cbr3cl
1292	CF2I2	difluorodiiodomethane	cf2i2
1293	CBr4	Carbon tetrabromide	cbr4
1294	CCl2I2	dichlorodiiodomethane	ccl2i2
1295	SiBr4	Silicon tetrabromide	sibr4
1296	CBr3I	tribromoiododmethane	cbr3i
1297	GeBr4	Germanium tetrabromide	gebr4
1298	CI4	tetraiodomethane	ci4
1299	SiI4	silicon tetraiodide	sii4
1300	ClOF3	Chlorine trifluoride oxide	clof3
1301	SeF4	Selenium tetrafluoride	sef4
1302	SCl4	Sulfur tetrachloride	scl4
1303	C2HF3	Trifluoroethylene	c2hf3
1304	C2HF3+	Trifluoroethylene cation	c2hf3+
1305	CHClCCl2	Trichloroethylene	chclccl2
1306	CHBrCF2	1-Bromo-2,2-difluoroethylene	chbrcf2
1307	HClO4	perchloric acid	hclo4
1308	HSO3F	Fluorosulfonic acid	hso3f
1309	CF3OH	trifluoromethanol	cf3oh
1310	CH2ClCCCl	1,3-dichloropropyne	ch2clcccl
1311	CHClCCHCl	1,3-dichloroallene	chclcchcl
1312	CHCl2CCH	3,3-dichloropropyne	chcl2cch
1313	CHCl2CHO	dichloroacetaldehyde	chcl2cho
1314	PF3CH2	phosphorane, trifluoromethylene-	pf3ch2
1315	CH3CF3	Ethane, 1,1,1-trifluoro-	ch3cf3
1316	CH3CF2Cl	1-Chloro-1,1-Difluoroethane	ch3cf2cl
1317	CH3CFCl2	1,1-Dichloro-1-fluoroethane	ch3cfcl2
1318	CH2ClCHCl2	1,1,2-trichloroethane	ch2clchcl2
1319	CH3CCl3	Ethane, 1,1,1-trichloro-	ch3ccl3
1320	SiCl3CH3	methyltrichlorosilane	sicl3ch3
1321	CH3CBr3	1,1,1-tribromoethane	ch3cbr3
1322	NH3BCl3	Amminetrichloroboron	nh3bcl3
1323	SiH3CCl3	(trichloromethyl)silane	sih3ccl3
1324	CH2CClCHCH2	1,3-Butadiene, 2-chloro-	c4h5cl
1325	C3H5ClO	Oxirane, (chloromethyl)-	c106898
1326	CH2FCH2CH2F	1,3-difluoropropane	ch2fch2ch2f
1327	CH3CF2CH3	2,2-difluoropropane	ch3cf2ch3
1328	CH2ClCH2CH2Cl	1,3-dichloropropane	prdicl13
1329	CH2ClCHClCH3	Propane, 1,2-dichloro-	prdicl12
1330	CH3CCl2CH3	Propane, 2,2-dichloro-	prdicl22
1331	CHCl2CH2CH3	1,1-dichloropropane	prdicl11
1332	SiCl2(CH3)2	dichlorodimethylsilane	sicl2me2
1333	CH2CClCH2CH3	1-Butene, 2-chloro-	bute1cl2
1334	CH2CHCH2CH2Cl	1-Butene, 4-chloro-	bute1cl4
1335	CH2CHCHClCH3	1-Butene, 3-chloro-	bute1cl3
1336	CH2ClCHCHCH3	2-Butene, 1-chloro-	bute2cl1
1337	CH3CClCHCH3	2-Butene, 2-chloro-, (E)-	bute2cl2e
1338	CH3CClCHCH3	2-Butene, 2-chloro-, (Z)-	bute2cl2z
1339	CHClCHCH2CH3	(E)-1-Chloro-1-butene	bute1cl1
1340	CHClCHCH2CH3	(Z)-1-Chloro-1-butene	bute1cl1z
1341	C4H9F	1-fluorobutane	butaf1
1342	CH3CHFCH2CH3	2-fluorobutane	butaf2
1343	CH2ClCH2CH2CH3	Butane, 1-chloro-	butacl1
1344	CH3CCl(CH3)CH3	Propane, 2-chloro-2-methyl-	procl2me2
1345	CH3CHClCH2CH3	Butane, 2-chloro-	butacl2
1346	XeF4	Xenon tetrafluoride	xef4
1347	CF3PH2	phosphine, (trifluoromethyl)-	cf3ph2
1348	NH3BF3	Amminetrifluoroboron	nh3bf3
1349	C6H2	hexatriyne	c6h2
1350	C6H4	(E)-Hexa-1,5-diyne-3-ene	c6h4e
1351	C6H4	(Z)-Hexa-1,5-diyne-3-ene	c6h4z
1352	C6H4	Benzyne	benzyne
1353	C6H5	phenyl	phenyl
1354	C6H5-	phenyl anion	phenyl-
1355	C6H6	1,2,4,5-Hexatetraene	ht1245
1356	C6H6	2,4-Hexadiyne	hexadiyne
1357	C6H6	3,4-Dimethylenecyclobutene	cb34m
1358	C6H6	Benzvalene	bv
1359	C6H6	Hexa-1,5-diene-3-yne	hdy153
1360	C6H6	Trimethylenecycopropane	tmcp
1361	C6H6+	Benzene cation	c6h6+
1362	C6H7+	benzene, protonated	c6h7+
1363	C6H8	(E)-hexa-1,3,5-triene	c821078
1364	C6H8	(E)-hexa-2,3,4-triene	c59660650
1365	C6H8	(Z)-hexa-1,3,5-triene	hexatri135
1366	C6H8	(Z)-hexa-2,3,4-triene	hetr234c
1367	C6H8	1,3-Cyclohexadiene	cyhexadiene13
1368	C6H8	1,4-Cyclohexadiene	cyhexadiene14
1369	C6H8	3-Methylenecyclopentene	c930267
1370	C6H8	Bicyclo[2.1.1]hex-2-ene	c822413
1371	C6H8	Bicyclo[2.2.0]hex-1(4)-ene	c30830207
1372	C6H8	Bicyclo[3.1.0]hex-2-ene	c694019
1373	C6H10	1,3-Hexadiene, (E)-	hexdi13e
1374	C6H10	1,3-Hexadiene, (Z)-	hexdi13z
1375	C6H10	1,4-Hexadiene, (E)-	hexdi14t
1376	C6H10	1,4-Hexadiene, (Z)-	hexdi14z
1377	C6H10	1,5-Hexadiene	c592427
1378	C6H10	1-Butyne, 3,3-dimethyl-	c917920
1379	C6H10	1-Hexyne	hexyne1
1380	C6H10	2,4-Hexadiene, (E,E)-	hexdi24ee
1381	C6H10	2,4-Hexadiene, (E,Z)-	hexdi24ez
1382	C6H10	2,4-Hexadiene, (Z,Z)-	hexdi24zz
1383	C6H10	2-Hexyne	c764352
1384	C6H10	3-Hexyne	hexyne3
1385	C6H10	cyclohexene	cyclohexene
1386	C6H10	Cyclopentene, 1-methyl-	c693890
1387	C6H10	Cyclopentene, 3-methyl-	c1120623
1388	C6H10	Cyclopentene, 4-methyl-	c1759815
1389	C4H6(CH3)2	1,1-dimethylcyclobutane	dmcb11
1390	C6H12	(1R,2R)-1,2-dimethylcyclobutane	dmcb12t
1391	C6H12	(1r,3r)-1,3-dimethylcyclobutane	dmcb13t
1392	C6H12	(E)-2-Hexene	e2hexene
1393	C6H12	(E)-3-methylpent-2-ene	c616126
1394	C6H12	(E)-hex-3-ene	e3hexene
1395	C6H12	(Z)-3-methylpent-2-ene	c922623
1396	C6H12	(Z)-hex-2-ene	z2hexene
1397	C6H12	(Z)-hex-3-ene	z3hexene
1398	C6H12	2,3-dimethylbut-1-ene	c563780
1399	C6H12	2,3-dimethyl-but-2-ene	tmeet
1400	C6H12	3-methylenepentane	c760214
1401	C6H12	cis-1,2-dimethylcyclobutane	dmcb12c
1402	C6H12	cis-1,3-dimethylcyclobutane	dmcb13c
1403	C6H12	Cyclohexane	cyclohexane
1404	C6H12	Cyclopentane, methyl-	c96377
1405	C6H12	Ethylcyclobutane	c4806615
1406	C6H12	hex-1-ene	hexene1
1407	C6H14	Butane, 2,2-dimethyl-	buta22
1408	C6H14	Butane, 2,3-dimethyl-	buta23
1409	C6H14	Hexane	hexane
1410	C6H14	Pentane, 2-methyl-	penta2
1411	C6H14	Pentane, 3-methyl-	penta3
1412	C4N2	2-Butynedinitrile	c4n2
1413	C4H2N2	Fumaronitrile	c4h2n2
1414	C2H2N4	sym-tetrazine	ttz
1415	C3H3N3	1,3,5-Triazine	triazine135
1416	CH3N5	5-Aminotetrazole	c4418615
1417	C4H4N2	1,3-Diazine	diazine13
1418	C4H4N2	Pyrazine	pyrazine
1419	C4H4N2	Pyridazine	pyridazine
1420	C4H4N2	Succinonitrile	c110612
1421	C2H4N4	1H-Tetrazole, 1-methyl-	c16681779
1422	C2H4N4	1H-Tetrazole, 5-methyl-	c4076362
1423	C2H4N4	2H-Tetrazole, 2-methyl-	c16681780
1424	C5H5N	Bicyclo[1.1.0]butane-1-carbonitrile	bibucn
1425	C5H5N	E-2,4-pentadienenitrile	bdcn
1426	C5H5N	Pyridine	pyridine
1427	B3N3H6	borazine	borazine
1428	C6H6	Fulvene	fulvene
1429	C5H6N+	Pyridinium	c5h6n
1430	C4H6N2	1H-Imidazole, 2-methyl-	c693981
1431	C5H7N	(E)-2-Pentenenitrile	c26294984
1432	C5H7N	(E)-3-Pentenenitrile	c16529661
1433	C5H7N	(Z)-2-Pentenenitrile	c25899507
1434	C5H7N	1H-Pyrrole, 1-methyl-	c96548
1435	C5H7N	Cyclobutanecarbonitrile	c4426113
1436	C5H9N	1,2,3,6-Tetrahydropyridine	c694053
1437	C5H9N	Butanenitrile, 2-methyl-	c18936179
1438	C5H9N	Pentanenitrile	c110598
1439	C5H9N	Propanenitrile, 2,2-dimethyl-	c630182
1440	C6H10	Bicyclo[3.1.0]hexane	c285585
1441	C5H11N	Cyclopentanamine	cypentam
1442	C5H11N	Piperidine	piper
1443	C4H12N2	1,2-Butanediamine	c4426486
1444	C4H12N2	2-Methyl-1,2-propanediamine	c811938
1445	Li2CO3	Lithium Carbonate	li2co3
1446	Na2CO3	Sodium Carbonate	na2co3
1447	C2O4--	oxalate anion	c2o4
1448	MgSO4	Magnesium Sulfate	mgso4
1449	N2O4	Dinitrogen tetroxide	n2o4
1450	C2H2O4	Oxalic Acid	oxalic
1451	C2H3NO3	Oxamic acid	oxamic
1452	C4H4O2	2(5H)-Furanone	furanone
1453	C4H4O2	2-Oxetanone, 4-methylene-	c674828
1454	C2H4N2O2	Oxalamide	oxalamide
1455	C2H4N2S2	Ethanedithioamide	c79403
1456	C2H4CO3	Ethylene carbonate	etco3
1457	C3H4O2S	2H-Thiete-1,1-dioxide	c7285327
1458	C3H4S3	1,3-Dithiolane-2-thione	c822388
1459	C2H4O4	Formic acid dimer	fadimer
1460	C4H5NO	3-Methylisoxazole	isox3m
1461	C4H5NO	Isoxazole, 5-methyl-	c5765446
1462	C4H5NS	4-Methylthiazole	c693958
1463	C2H5NO3	Nitric acid, ethyl ester	c625581
1464	C5H6O	2H-Pyran	pyran2
1465	C5H6O	2-methylfuran	furan2m
1466	C5H6O	3-Methylfuran	furan3m
1467	C5H6O	Pentadienal	pdal
1468	C5H6S	Thiophene, 2-methyl-	c554143
1469	C5H6S	Thiophene, 3-methyl-	c616444
1470	C4H6O2	γ–Butyrolactone	c96480
1471	C4H6O2	2,3-Butanedione	c431038
1472	C4H6O2	2-Propenoic acid, methyl ester	c96333
1473	C4H6O2	Crotonic Acid	crot
1474	C4H6OS	2,3-dihydrothiophene-2-ol	c9000117
1475	C4H6OS	2,5-dihydrothiophene-3-ol	c9000093
1476	C4H6OS	4,5-dihydrothiophene-2-ol	c9000106
1477	C4H6OS	4,5-dihydrothiophene-3-ol	c9000082
1478	C4H6OS	Dihydro-2-(3H)-thiophenone	c1003107
1479	C4H6OS	Dihydro-3-(2H)-thiophenone	c1003049
1480	C4H6OS	Vinyl sulfoxide	c1115157
1481	CH6N4S	Carbonothioic dihydrazide	thiacarb
1482	C2H6N2O2	(E)-Azodioxymethane	c37765154
1483	C2H6N2O2	Dimethylnitroamine	c4164287
1484	C3H6O3	1,3,5-Trioxane	trioxane
1485	C3H6S3	1,3,5-Trithiane	c3h6s3
1486	C3H6S3	Carbonotrithioic acid, dimethyl ester	c2314489
1487	C2H6O3S	Sulfurous acid, dimethyl ester	c616422
1488	C4H7NO	2-Pyrrolidinone	c616455
1489	C4H7NO	Ethoxyacetonitrile	etoaccn
1490	C4H7NO	Methacrylamide	c79390
1491	C4H7NO	Oxazole, 4,5-dihydro-2-methyl-	c1120645
1492	HCONH2CN2H4	formamide aminomethanimine dimer	d13
1493	C3H7ONO	Propyl nitrite	prono
1494	CH3CH(CH3)ONO	Isopropyl nitrite	c541424
1495	CH3CH(NH2)COOH	Alanine	alanine
1496	CH3NHCH2COOH	Sarcosine	sarcosine
1497	NH2CH2CH2COOH	β–alanine	betaalanine
1498	NH2COOC2H5	Urethane	urethane
1499	C5H8O	2H-Pyran, 3,4-dihydro-	c110872
1500	C5H8O	Cyclopentanone	c120923
1501	C5H8O	Furan, 2,3-dihydro-5-methyl-	c1487156
1502	C5H8O	Methyl cyclopropyl ketone	c765435
1503	N(CH3)2CONH2	Urea, N,N-dimethyl-	c598947
1504	NH(CH3)CONH(CH3)	Urea, N,N'-dimethyl-	c96311
1505	NH2CONHC2H5	Urea, ethyl-	c625525
1506	C4H8O2	1,3-Dioxane	dioxan13
1507	C4H8O2	1,3-Dioxolane, 2-methyl-	c497267
1508	C4H8O2	1,4-Dioxane	dioxan14
1509	C4H8O2	Ethene, 1,1-dimethoxy-	c922690
1510	C4H8OS	s-Ethyl thioacetate	c625605
1511	C3H8O3	1,2,3-Propanetriol	glycerin
1512	C3H8O2S	(Methylsulfonyl)ethane	c594434
1513	C4H9NO	Butanamide	c541355
1514	C4H9NO	Propanamide, 2-methyl-	c563837
1515	C5H10O	2-Butanone, 3-methyl-	c563804
1516	C5H10O	2H-Pyran, tetrahydro-	c142687
1517	C5H10O	2-methylbutyraldehyde	2meba
1518	C5H10O	2-Pentanone	mpk
1519	C5H10O	3-Pentanone	dek
1520	C5H10O	Cyclopentanol	c96413
1521	C5H10O	Oxetane, 3,3-dimethyl-	c6921353
1522	C5H10O	Pentanal	pal
1523	C5H10S	2H-Thiopyran, tetrahydro-	c1613510
1524	C5H10S	3-Ethylthio-1-propene	c5296628
1525	C5H10S	Cyclopentanethiol	c1679078
1526	C5H10S	Thiophene, tetrahydro-2-methyl-	c1795091
1527	C5H10S	Thiophene, tetrahydro-3-methyl-	c4740005
1528	C4H10O2	1,1-Dimethoxyethane	c534156
1529	C4H10O2	1,3-Butanediol	budiol13
1530	C4H10O2	1,4-Butanediol	budiol14
1531	C4H10O2	Ethane, 1,2-dimethoxy-	c110714
1532	C4H10OS	Diethyl sulfoxide	c70291
1533	C4H10S2	1,4-Butanedithiol	budisl14
1534	C4H11NO	Diethylhydroxylamine	c3710847
1535	C5H12O	1-Butanol, 2-methyl-	c137326
1536	C5H12O	1-Butanol, 3-methyl-	c123513
1537	C5H12O	1-Pentanol	pentanol1
1538	C5H12O	2-Butanol, 3-methyl-	c598754
1539	C5H12O	2-Pentanol	peol2
1540	C5H12O	3-Pentanol	pentan3ol
1541	C5H12O	Butane, 1-methoxy-	meobu
1542	C5H12O	Propane, 1-ethoxy-	proet
1543	C5H12O	Propane, 2-methoxy-2-methyl-	c1634044
1544	C5H12S	1-Butanethiol, 2-methyl-	c1878188
1545	C5H12S	1-Butanethiol, 3-methyl-	c541311
1546	C5H12S	1-Pentanethiol	c110667
1547	C5H12S	1-Propanethiol, 2,2-dimethyl-	c1679089
1548	C5H12S	2-Butanethiol, 2-methyl-	c1679090
1549	C5H12S	2-Butanethiol, 3-methyl-	c2084186
1550	C5H12S	Butane, 1-(methylthio)-	c628295
1551	C5H12S	Ethyl propyl sulfide	c4110503
1552	C5H12S	Propane, 2-(ethylthio)-	c5145993
1553	C5H12S	Propane, 2-methyl-2-(methylthio)-	c6163640
1554	C4F2	difluorobutadiyne	c4f2
1555	ClCOClCO	Oxalyl chloride	oxcl
1556	CF3CN	Acetonitrile, trifluoro-	cf3cn
1557	CF3CN+	Acetonitrile, trifluoro- cation	cf3cn+
1558	B2F4	Diboron tetrafluoride	b2f4
1559	B2Cl4	Diboron tetrachloride	b2cl4
1560	C2F4	Tetrafluoroethylene	c2f4
1561	C2F4+	Tetrafluoroethylene cation	c2f4+
1562	C2ClF3	Ethene, chlorotrifluoro-	c2f3cl
1563	CF2CCl2	difluorodichloroethylene	cf2ccl2
1564	CFClCClF	trans-1,2-dichloro-1,2-difluoroethylene	cfclcclf
1565	CFClCFCl	cis-1,2-dichloro-1,2-difluoroethylene	cfclcfcl
1566	C2FCl3	fluorotrichloroethene	c2fcl3
1567	C2Cl4	Tetrachloroethylene	c2cl4
1568	C2Br4	tetrabromoethene	c2br4
1569	CF3OF	Trifluoromethylhypofluorite	cf3of
1570	SiF5-	silicon pentafluoride anion	sif5-
1571	SOF4	Sulfur tetrafluoride oxide	sof4
1572	AsF5	Arsenic pentafluoride	asf5
1573	PCl5	Phosphorus pentachloride	pcl5
1574	SF5	Sulfur pentafluoride	sf5
1575	SF5+	pentafluoro sulfur cation	sf5+
1576	SbCl5	Antimony pentachloride	sbcl5
1577	BrF5	bromine pentafluoride	brf5
1578	ClF5	chlorinepentafluoride	clf5
1579	IF5	pentafluoroiodine	if5
1580	CF3CHO	trifluoroacetaldehyde	cf3cho
1581	CCl3CHO	trichloroacetaldehyde	ccl3cho
1582	CHFClCHClF	ethane, 1,2-dichloro-1,2-difluoro-	chfclchclf
1583	CF3CH2F	1,1,1,2-tetrafluoroethane	cf3ch2f
1584	CHF2CHF2	1,1,2,2-tetrafluoroethane	chf2chf2
1585	CF3CH2Cl	2,2,2-Trifluoroethyl chloride	cf3ch2cl
1586	CHFClCHFCl	1,2-dichloro-1,2-difluoroethane RR	chfclchfcl
1587	CH2ClCCl3	1,1,1,2-tetrachloroethane	ch2clccl3
1588	CHCl2CHCl2	Ethane, 1,1,2,2-tetrachloro-	chcl2chcl2
1589	CH2BrCBr3	1,1,1,2-tetrabromo ethane	c2h2br4
1590	CHCl2CHF2	1,1-dichloro-2,2-difluoroethane	c2h2cl2f2
1591	CF3COOH	trifluoroacetic acid	cf3cooh
1592	C4H3ClO	Furan, 2-chloro	fur2cl
1593	C4H3ClO	Furan,3-chloro	fur3cl
1594	C3H5ClO2	Carbonochloridic acid, ethyl ester	c541413
1595	C3H5Cl3	Propane, 1,2,3-trichloro-	prcl135
1596	C4H8Cl2	1,4-Dichlorobutane	c110565
1597	C4H8Cl2	Butane, 1,2-dichloro-	c616217
1598	C4H8Cl2	Butane, 1,3-dichloro-	c1190223
1599	C4H8Cl2	Butane, 2,3-dichloro-, (r*,r*)-(.+/-.)-	c2211678
1600	C4H8Cl2	Butane, 2,3-dichloro-, (r*,s*)-	c4028562
1601	C4H9ClO	1-Chloro-2-ethoxyethane	c628342
1602	C5H11Cl	Pentane, 1-chloro-	pencl1
1603	C4H8O2	Butanoic acid	bua
1604	C6H5CH2	benzyl radical	benzyl
1605	C7H7	cycloheptatrienyl radical	c7h7
1606	C7H7+	cycloheptatrienyl cation	c7h7+
1607	C6H5CH3	toluene	toluene
1608	C7H8	cycloheptatriene	cht
1609	C7H8	Norbornadiene	norbor
1610	C7H8	Quadricyclane	qucy
1611	C7H12	Norbornane	nor
1612	C7H14	cycloheptane	c7h14
1613	C7H16	2-methylhexane	2mhex
1614	C7H16	3-methylhexane	hex3m
1615	C7H16	heptane	heptane
1616	CH(CN)3	tricyanomethane	mecn3
1617	HN=C=C(CN)2	Dicyanoketenimine	c4hn3
1618	C6H7N	2-Methylpyridine	mp
1619	C6H5NH2	aniline	aniline
1620	C6H13N	2-Methylpiperidine	pip2m
1621	C6H13N	cyclohexanamine	cham
1622	C6H15N	triethylamine	tea
1623	N2O5	Dinitrogen pentoxide	n2o5
1624	C4H2O3	Maleic Anhydride	malan
1625	C5H4O2	4-Cyclopentene-1,3-dione	cpdio
1626	C6H5O	phenoxy radical	phenoxy
1627	C5H5NO	2(1H)-Pyridinone	c72762006
1628	C5H5NO	2(3H)-Pyridinone	c9000048
1629	C5H5NO	2(5H)-Pyridinone	c9000037
1630	C5H5NO	2-Pyridinol	c109104
1631	C5H5NO	3(2H)-Pyridinone	c9000004
1632	C5H5NO	3(4H)-Pyridinone	c9000026
1633	C5H5NO	3(6H)-Pyridinone	c9000015
1634	C5H5NO	3-Pyridinol	c109002
1635	C5H5NO	4(1H)-Pryidinone	c9000060
1636	C5H5NO	4(3H)-Pryidinone	c9000059
1637	C5H5NO	4-Pyridinol	c626642
1638	C6H5OH	phenol	phenol
1639	C6H6O	2,4-Cyclohexadienone	c24599573
1640	C6H6O	2,5-Cyclohexadienone	c5664335
1641	C6H5SH	Benzenethiol	phsh
1642	HO2CCHNH2CH2OH	Serine	serine
1643	C5H8O2	Acetylacetone	acac
1644	C4H8O2S	Sulfolane	sulfolane
1645	C7H10	Norbornene	norbornene
1646	CH(C2H3)3	trivinyl methane	tvm
1647	C6H10O	cyclohexanone	chexo
1648	C6H12O	hexanal	c6h12o
1649	C6H12O	Oxepane	oxepane
1650	C3H7OC3H7	di-n-propyl ether	propr
1651	F2CCCF2	tetrafluoroallene	pfa
1652	CF3COO-	trifluoro acetate anion	cf3coo-
1653	CF3COF	trifluoroacetyl fluoride	cf3cof
1654	CF3COCl	trifluoroacetyl chloride	cf3cocl
1655	PF6	Hexafluorophosphate neutral	pf6
1656	PF6-	Hexafluorophosphate ion	pf6-
1657	SeF6	Selenium hexafluoride	sef6
1658	SF5Cl	sulfur chloropentafluoride	sf5cl
1659	CF3CHF2	pentafluoroethane	cf3chf2
1660	CF3CHFCl	1,1,1,2-tetrafluorochloroethane	cf3chfcl
1661	CF3CHCl2	1,1-Dichloro-2,2,2-trifluoroethane	cf3chcl2
1662	CHCl2CClF2	Ethane, 1,2,2-trichloro-1,1-difluoro-	chcl2cclf2
1663	CCl3CHCl2	pentachloroethane	ccl3chcl2
1664	C6H5F	Fluorobenzene	bzf
1665	C6H5Cl	chlorobenzene	bzcl
1666	C6H5Br	bromobenzene	bzbr
1667	C8H6	Calicene	calicene
1668	C6H5CCH	phenylacetylene	phac
1669	C8H6	benzocyclobutadiene	bcbd
1670	C8H6	Pentalene	pentalene
1671	C6H5CHCH2	Styrene	styrene
1672	C8H8	cyclooctatetraene	cot
1673	C6H5CH2CH3	Ethylbenzene	etbz
1674	CH3C6H4CH3	meta-xylene	mxylene
1675	CH3C6H4CH3	paraxylene	pxylene
1676	C8H14	Bicyclo[2.2.2]octane	bico222
1677	C8H16	cyclooctane	cyclooct
1678	(CH3)3CC(CH3)3	tetramethylbutane	tmb
1679	C8H18	Octane	c8h18
1680	C6H5CN	phenyl cyanide	phcn
1681	C6H12N2	Triethylenediamine	ted
1682	C4O4--	squarate dianion	c4o4--
1683	S4N4	Tetrasulfur tetranitride	s4n4
1684	S8	Octasulfur	s8
1685	C6H4O2	parabenzoquinone	pbq
1686	C4H4N2O2	Uracil	uracil
1687	C6H5OCH3	Anisole	anisole
1688	C5H9NO2	Proline	proline
1689	C6H12O2	Methyl pivalate	c598981
1690	C6H12O2	Hexanoic acid	hexa
1691	C4F4	tetrafluorcyclobutadiene	c4f4
1692	Al2Cl6	Aluminum, di-μ-chlorotetrachlorodi-	al2cl6
1693	CF3CF2Cl	pentafluorochloroethane	cf3cf2cl
1694	CF2ClCF2Cl	1,2-Dichloro-1,1,2,2-tetrafluoroethane	cf2clcf2cl
1695	CF3CFCl2	1,1-Dichlorotetrafluoroethane	cf3cfcl2
1696	CF2ClCFCl2	Ethane, 1,1,2-trichloro-1,2,2-trifluoro-	cf2clcfcl2
1697	CF3CCl3	1,1,1-trifluoro-2,2,2-trichloroethane	cf3ccl3
1698	C2F6	hexafluoroethane	c2f6
1699	C2Cl6	hexachloroethane	c2cl6
1700	IF7	Iodine heptafluoride	if7
1701	C6H4F2	metadifluorobenzene	mdfb
1702	C6H4F2	orthodifluorobenzene	odfb
1703	C6H4F2	1,4-difluorobenzene	pdfb
1704	C6H4Cl2	1,2-dichlorobenzene	dcb12
1705	C6H4Cl2	1,3-dichlorobenzene	dcb13
1706	C6H4Cl2	1,4-dichlorobenzene	dcb14
1707	C6H5NO	nitrosobenzene	bzno
1708	C9H8	Indene	indene
1709	C9H8	spiro[4.4]nona-1,3,6,8-tetraene	snt
1710	C9H12	n-propyl benzene	prbz
1711	C9H20	Nonane	nonane
1712	C(CN)4	tetracyanomethane	c5n4
1713	C5H4N4	purine	purine
1714	C8H7N	Indole	indole
1715	C3H3N3O3	cyanuric acid	cyanuric
1716	C6H5NO2	Nitrobenzene	c6h5no2
1717	C6H5COOH	benzoic acid	benzo
1718	CH3COC6H5	acetophenone	acph
1719	C3Cl3N3	1,3,5-Triazine, 2,4,6-trichloro-	c3cl3n3
1720	C3F6	hexafluoropropene	c3f6
1721	C6H3F3	Benzene trifluoride 123	bzf3a
1722	C8H18O	1-Octanol	octanol
1723	C10H8	Azulene	azu
1724	C10H8	naphthalene	naph
1725	C10H10	bullvalene	bullv
1726	C10H16	adamantane	adamantane
1727	C6N4	Tetracyanoethylene	tcne
1728	C6N4-	tetracyanoethylene anion	tcne-
1729	C10H22	Decane	decane
1730	C4F6	perfluorobutadiene	c4f6
1731	SF5CF3	Sulfur, pentafluoro(trifluoromethyl)-	sf5cf3
1732	C3F8	perfluoropropane	c3f8
1733	Fe(CO)5	Iron pentacarbonyl	ipc
1734	Fe(C5H5)2	ferrocene	fecp2
1735	B12H12--	Dodecahydrododecaborate(2-)	b12h12--
1736	C12H8	Acenaphthylene	acenaph
1737	C12H8	biphenylene	biph
1738	C12H10	biphenyl	biphenyl
1739	C12H10	Heptalene	heptalene
1740	C6H12O6	Inositol	inositol
1741	C6F6	hexafluorobenzene	c6f6
1742	S2F10	disulphur decafluoride	s2f10
1743	C13H10	Fluorene	fluorene
1744	C14H10	Anthracene	anth
1745	C14H10	Phenanthrene	phenanthrene
1746	C14H14	Bibenzyl	bibenzyl
1747	C12H10N2	azobenzene	azobenzene
1748	C6H5COC6H5	benzophenone	benzophenone
1749	C16H10	Pyrene	pyrene
1750	C18H12	Tetracene	tetracene
1751	C19H16	Triphenylmethane	tpm
1752	C24H12	Coronene	coronene
1753	C60	Buckminsterfullerene	c60