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 MP3=FULL /6-311+G(3df,2p)

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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	KH	Potassium hydride	1Σ	C∞v
8	MgH	magnesium monohydride	2Σ	C∞v
9	ZnH+	Zinc, protonated
10	BeH2+	Beryllium dihydride cation
11	Al-	Aluminum atom anion	3P	Kh
12	BH3+	boron trihydride cation	2B2	C2v
13	BH3+	boron trihydride cation		C2v
14	AlH3-	aluminum trihydride anion		C3v
15	BH4-	borohydride anion	1A1	Td
16	C	Carbon atom	3P0	Kh
17	Si-	Silicon atom anion	4S	Kh
18	CH2-	methylene anion	2B1	C2v
19	GeH2	germylene	1A1	C2v
20	SiH3+	Silyl cation	1A1'	D3h
21	SiH2D2	silane-d2
22	GeH4	Germane	1A1	Td
23	SiH5+	Silane, protonated
24	N	Nitrogen atom	4S	Kh
25	P	Phosphorus atom	4S	Kh
26	V+	Vanadium atom cation	5D	Kh
27	As	Arsenic atomic	4S	Kh
28	As-	Arsenic anion	3P	Kh
29	As+	Arsenic cation	3P	Kh
30	PH	phosphorus monohydride	3Σ-	C∞v
31	NH2	Amino radical	2B1	C2v
32	NH2+	Amino cation	3B1	C2v
33	NH2+	Amino cation	1A1	C2v
34	PH3	Phosphine	1A1	C3v
35	PH3+	Phosphine cation	2A1	C3v
36	NH4	Ammonium radical
37	PH4	Phosphoranyl radical
38	O	Oxygen atom	3S	Kh
39	S	Sulfur atom
40	Se	Selenium atom	3P	Kh
41	Se-	Selenium atom anion	2P	Kh
42	Se+	Selenium atom cation	4S	Kh
43	OH	Hydroxyl radical	2Π	C∞v
44	OH+	hydoxyl cation	3Σ	C∞v
45	HS-	mercapto anion	1Σ	C∞v
46	HS+	sulfur monohydride cation	3Σ	C∞v
47	CrH+	Chromium hydride cation	5Σ	C∞v
48	HSe	Selenium monohydride	2Π	C∞v
49	HSe-	selenium monohydride anion	1Σ	C∞v
50	HSe+	selenium monohydride cation	3Σ	C∞v
51	H2O	Water	1A1	C2v
52	H2O-	water anion	2A1	C2v
53	H2O-	water anion	2A'	Cs
54	H2O+	water cation	2B1	C2v
55	HDO	Water-d1	1A1	C2v
56	H2S+	Hydrogen sulfide cation	2B1	C2v
57	H2Se	Hydrogen selenide	1A1	C2v
58	H2Se+	Hydrogen selenide cation	2B1	C2v
59	H3S+	Sulfonium cation	1A1	C3v
60	H3Se+	Hydrogen Selenide, protonated	1A1	C3v
61	F	Fluorine atom	2P	Kh
62	Cl	Chlorine atom	2P	Kh
63	Br	Bromine atom	2P	Kh
64	Br-	Bromine atom anion	1S	Kh
65	Br+	Bromine atom cation	3P	Kh
66	HCl+	hydrogen chloride cation	2Π	C∞v
67	HBr	hydrogen bromide	1Σ	C∞v
68	HBr-	hydrogen bromide anion	2Σ	C∞v
69	HBr+	hydrogen bromide cation	2Π	C∞v
70	H2Cl+	dihydrogen monochloride cation	1A1	C2v
71	H2Br+	protonated hydrogen bromide	2A1	C2v
72	Ne	Neon atom
73	Kr	Krypton atom	1S	Kh
74	Kr+	Krypton cation	2P	Kh
75	HeLi+	Helium Lithium cation
76	ArH+	Argon hydride cation	1Σ	C∞v
77	KrH+	Protonated Krypton	1Σ	C∞v
78	Na2-	sodium diatomic anion	2Σu	D∞h
79	LiAl	Lithium Aluminum
80	HBBH	Diborane(2)	3ΣG	D∞h
81	B2H4	Diborane(4) D2d	1A1	D2d
82	B2H6	Diborane	1Ag	D2h
83	B2H6+	Diborane cation
84	CaC	Calcium monocarbide
85	BSi	Boron silicide	4Σ	C∞v
86	BSi	Boron silicide	2Σ	C∞v
87	SiGe	Silicon Germanium
88	C2H-	Ethynyl anion	1Σ	C∞v
89	C2H2+	acetylene cation	2Πu	D∞h
90	C2H2+	acetylene cation
91	H2CC-	vinylidene anion
92	HCCH-	acetylene anion
93	HCCH-	acetylene anion
94	CH3Li	methyl lithium	1A1	C3v
95	C2H3	vinyl	2A'	Cs
96	C2H3+	vinyl cation	1A1	C2V bridging H
97	C2H3+	vinyl cation	1A1	C2V HCCH2
98	C2H4+	Ethylene cation	2B3	D2
99	Si2H4	Disilene
100	C2H5	Ethyl radical	2A'	Cs
101	Si2H6	disilane	1Eu	D3d
102	LiP	Lithium monophosphide
103	LiP	Lithium monophosphide
104	MgN	Magnesium Nitride
105	MgN	Magnesium Nitride
106	CN	Cyano radical	2Σ	C∞v
107	SiP	Silicon monophosphide	2Π	C∞v
108	HCN	Hydrogen cyanide	1Σ	C∞v
109	HCN+	hydrogen cyanide cation	2Π	C∞v
110	HNC+	hydrogen isocyanide cation
111	NNH+	Dinitrogen monohydride cation	1Σ	C∞v
112	LiNH2	lithium amide
113	HBNH	Boranimine	1Σ	C∞v
114	N2H2+	trans-diazene cation	2AG	C2h
115	CH2NH	Methanimine	1A'	Cs
116	CH2NH+	Methanimine cation
117	CHNH2	aminomethylene
118	CHNH2+	Aminocarbene cation
119	BH2NH2	Boranamine
120	N2H4	Hydrazine	1A	C2
121	SiH3NH2	Silane, amino
122	BH3PH3	borane phosphine
123	CH3NH3	methyl ammonium radical	2A1	C3v
124	N2H7+	ammonia ammonium dimer
125	CaO	Calcium monoxide	1Σ	C∞v
126	CaS	Calcium sulfide	1Σ	C∞v
127	BO	boron monoxide	2Σ	C∞v
128	CO	Carbon monoxide	1Σ	C∞v
129	CO-	carbon monoxide anion	2Π	C∞v
130	CO+	carbon monoxide cation	2Σ	C∞v
131	GeO	Germanium monoxide	1Σ	C∞v
132	SiSe	Silicon Monoselenide
133	SiSe+	Silicon Monoselenide cation
134	NO	Nitric oxide	2Π	C∞v
135	NO-	nitric oxide anion	3Σ	C∞v
136	NO+	nitric oxide cation	1Σ	C∞v
137	PO	Phosphorus monoxide	2Π	C∞v
138	PS	phosphorus sulfide	2Σ	C∞v
139	NSe	Nitrogen monoselenide	2Π	C∞v
140	AsS	Arsenic monosulfide	2Π	C∞v
141	PSe	Phosphorus monoselenide	2Π	C∞v
142	AsSe	Arsenic monoselenide	2Π	C∞v
143	SO+	sulfur monoxide cation	2Π	C∞v
144	S2	Sulfur diatomic	3Σg	D∞h
145	SeO	Selenium monoxide	3Σ	C∞v
146	LiOH	lithium hydroxide	1Σ	C∞v
147	KOH	Potassium hydroxide	1Σ	C∞v
148	BeOH	beryllium monohydroxide	2A'	Cs
149	HBO	Boron hydride oxide	1Σ	C∞v
150	COH	Hydroxymethylidyne
151	HCO-	formyl anion	1A'	Cs
152	HNO+	Nitrosyl hydride cation	2A'	Cs
153	HSO+	Sulfur Monoxide, S-protonated
154	SOH	Sulfur Hydroxide
155	SOH+	Sulfur Monoxide, protonated
156	H2CO	Formaldehyde	1A1	C2v
157	H2CO-	formaldehyde anion	2A'	Cs
158	H2CO-	formaldehyde anion
159	H2CO+	formaldehyde cation	2B2	C2v
160	H2CS	Thioformaldehyde	1A1	C2v
161	H2CS-	thioformaldehyde anion
162	H2CS-	thioformaldehyde anion
163	H2O2	Hydrogen peroxide	1A	C2
164	H2O2	Hydrogen peroxide	1Ag	C2h
165	H2OO	water oxide
166	HOSH	hydrogen thioperoxide
167	CH2OH+	hydroxymethyl cation	1A'	Cs
168	CH3O-	methoxy anion	1A1	C3v
169	NH2OH	hydroxylamine	1A'	Cs
170	NH2OH+	Hydroxylamine cation
171	NH2SH	Thiohydroxylamine
172	NH2SH	Thiohydroxylamine
173	NH3S	sulfidoazane
174	CH3OH	Methyl alcohol	1A'	Cs
175	SiH3OH	silanol
176	NH2OH2+	protonated hydroxylamine
177	NH3OH+	N-protonated hydroxylamine
178	H5O2+	Dihydroxonium ion	1A	C2
179	LiF	lithium fluoride	1Σ	C∞v
180	LiCl	lithium chloride	1Σ	C∞v
181	NaF+	sodium fluoride cation	2Σ	C∞v
182	LiBr	Lithium Bromide	1Σ	C∞v
183	LiF+	lithium fluoride cation	2Π	C∞v
184	CaBr	Calcium monobromide
185	AlBr	Aluminum monobromide
186	CF	Fluoromethylidyne	2Π	C∞v
187	CBr	Carbon monobromide	2Π	C∞v
188	GeCl+	Germanium monochloride cation
189	SiBr	Silicon monobromide	2Π	C∞v
190	SiBr+	Silicon monobromide cation
191	NCl	nitrogen monochloride	3Σ	C∞v
192	PBr	Phosphorus monobromide
193	BrCl	Bromine monochloride	1Σ	C∞v
194	F2	Fluorine diatomic	1Σg	D∞h
195	F2+	flourine diatomic cation	2Πg	D∞h
196	ClF	Chlorine monofluoride	1Σ+	C∞v
197	ClF+	clorine monofluoride cation	2Π	C∞v
198	Cl2+	chlorine diatomic cation	2Πg	D∞h
199	BrF	Bromine monofluoride	1Σ	C∞v
200	Br2	Bromine diatomic	1Σg	D∞h
201	Br2-	bromine diatomic anion	2Σu	D∞h
202	Br2+	bromine diatomic cation	2Πg	D∞h
203	HCF	Fluoromethylene	1A'	Cs
204	HCF	Fluoromethylene	3A"	Cs
205	HOCl	hypochlorous acid	1A'	Cs
206	HOCl+	hypochlorous acid cation
207	F2H+	Fluorine, protonated	1A'	Cs
208	ClFH+	Chlorine fluoride, F-protonated
209	FClH+	Chlorine fluoride, Cl-protonated
210	Cl2H+	Chlorine, protonated	1A'	Cs
211	CH2Br	bromomethyl radical
212	CH2F	fluoromethyl radical	2A	Cs
213	CH2F+	fluoromethyl cation
214	CH2Cl+	chloromethyl cation
215	CH2Cl	chloromethyl radical	2A'	Cs
216	CH2Cl	chloromethyl radical	2B1	C2v
217	NH2Cl	chloramine	1A'	Cs
218	CH3F+	methyl fluoride cation
219	CH3Cl	Methyl chloride	1A1	C3v
220	SiH3Cl	chlorosilane	1A1	C1
221	CH3Br	methyl bromide	1A1	C3v
222	CH3ClH+	methyl chloride, protonated
223	NH4Cl	Ammonium chloride
224	LiNe+	Lithium Neon cation
225	C3	carbon trimer	1Σg	D∞h
226	C3	carbon trimer	1A1	C2v
227	C3H4	cyclopropene	1A1	C2v
228	CH3CCH	propyne	1A'	C3v
229	CH2CHCH3	Propene	1A'	Cs
230	C3H7	n-Propyl radical	2A"	C1
231	CH3CHCH3+	Isopropyl cation	1A	C2
232	C3H8	Propane	1A1	C2v
233	Si3H8	trisilane
234	LiCN	lithium cyanide	1Σ	C*V LiCN
235	KCN	Potassium cyanide	1Σ	C∞v
236	KCN	Potassium cyanide	1Σ	C∞v
237	KCN	Potassium cyanide	1A'	Cs
238	ZnCN	Zinc monocyanide	2Σ	C∞v
239	ZnNC	Zinc isocyanide	2Σ	C∞v
240	N3	azide radical	2Πg	D∞h
241	HN3+	Hydrazoic acid cation
242	HNCNH	diiminomethane	1A	C2
243	HNNNH+	1,2-Triazadienium
244	NH2NN+	hydrazoic acid, protonated
245	CH3CN	Acetonitrile	1A1	C3v
246	CH3CN-	acetonitrile anion	2E	C3v
247	CHNCH2	2H-Azirine
248	CHNHCH	1H-Azirine
249	H2CCNH	Ethenimine
250	H2CNCH	methyleneaminomethylene
251	HCCNH2	Ethynamine
252	HCNCH2+	2H-Azirine cation
253	NH2CNH+	cyanamide, cn protonated
254	NH3CN+	cyanamide, amine protonated
255	C2H6N+	aziridine, protonated	1A1	C2v
256	CH3CH2NH2	Ethylamine
257	Li2O	dilithium oxide	1Σg	D∞h
258	Na2O	disodium monoxide	1Σg	Linear
259	Na2O	disodium monoxide	1A1	C2v
260	Na2S	Sodium sulfide
261	Na2S	Sodium sulfide
262	NaO2	Sodium superoxide
263	NCO	isocyanato radical	2Π	C∞v
264	N2O	Nitrous oxide	1Σ	C∞v
265	OCS	Carbonyl sulfide	1Σ	C∞v
266	CS2	Carbon disulfide	1Σg	D∞h
267	OCSe	Carbonyl selenide	1Σ	C∞v
268	SCSe	Carbon sulfide selenide
269	NSO	sulfinyl amidogen
270	SNO	Nitrogen oxide sulfide
271	S3	Sulfur trimer	1A1	C2v
272	S3	Sulfur trimer
273	SeO2	Selenium dioxide	1A1	C2v
274	HCCO	ketenyl radical	2Π	C∞v
275	HCCO	ketenyl radical	2A"	Cs
276	HNCS	Isothiocyanic acid
277	HSCN	thiocyanic acid	1A'	Cs
278	HOCO	Hydrocarboxyl radical	1A'	cis
279	HOCO	Hydrocarboxyl radical	1A'	trans
280	O3H+	protonated ozone	1A'	Cs
281	O3H+	protonated ozone
282	C2H2O	Oxirene	1A1	C2v
283	CH2CO	Ketene	1A1	C2v
284	CH2CS	Thioketene
285	Be(OH)2	Beryllium hydroxide
286	Be(OH)2	Beryllium hydroxide
287	H2COO	Dioxymethyl radical	2A'	Cs
288	H2COO+	dioxymethyl cation	2A'	Cs
289	HCOOH	Formic acid	1A'	Cs
290	HCOOH	Formic acid
291	CH2COH+	ketene, protonated
292	HOCHNH	hydroxymethylimine	1A'	CS H all up
293	CHSNH2	thioformamide
294	NHCHSH	Methanimidothioic acid
295	C2H4O	Ethylene oxide	1A1	C2v
296	C2H4O+	ethylene oxide cation
297	CH3CHO	Acetaldehyde	1A'	Cs
298	CH3CHO+	acetaldehyde cation
299	H2COCH2+	Methyl, (methyleneoxoniumyl)-
300	C2H4S	Thiirane	1A1	C2v
301	CH2CHSH	Ethenethiol
302	CH3CHS	Thioacetaldehyde	1A'	C1
303	NH2CHOH+	Formamide, O-protonated
304	CH3SSH	Hydrogen methyl disulfide
305	HSCH2SH	Methanedithiol
306	C2H4OH+	ethylene oxide, protonated	1A'	Cs
307	NH2CH2OH	aminomethanol
308	CH3CH2SH	ethanethiol	1A'	Cs
309	CH3SCH3	Dimethyl sulfide	1A1	C2v
310	CH3SCH3+	dimethyl sulfide cation
311	CNF	iso cyanogen fluoride	1Σ	C∞v
312	BrCN	Cyanogen bromide	1Σ	C∞v
313	CaBr2	Calcium dibromide
314	BF2	Boron difluoride radical	2A1	C2v
315	FSN	Thiazyl fluoride	1A'	Cs
316	OPCl	Phosphorus oxychloride
317	CF2	Difluoromethylene	1A1	D∞h
318	CFCl	chlorofluoromethylene	1A'	Cs
319	CBr2	dibromomethylene	1A1	C2v
320	CBr2	dibromomethylene	3B1	C2v
321	OClO-	Chlorine dioxide anion	1A'	Cs
322	BrOO	Bromine dioxide
323	OBrO	Bromine dioxide radical	2B1	C2v
324	PF2	Phosphorus difluoride
325	FClO	chlorosyl fluoride	1A'	Cs
326	ClOF	Chlorine hypofluorite	1A'	Cs
327	SF2	sulfur difluoride	1A1	C2v
328	SFCl	Sulfur chloride fluoride
329	HCCBr	bromoacetylene	1Σ	C∞v
330	CHF2+	difluoromethyl cation
331	CHFCl	Chlorofluoromethyl radical
332	CHFCl+	Chlorofluoromethyl cation
333	CHCl2+	dichloromethyl cation
334	CHBr2	dibromomethyl radical
335	NHF2	difluoramine
336	NHCl2	dichloroamine
337	SiH2F2	difluorosilane
338	CH2Cl2	Methylene chloride	1A1	C2v
339	CH2BrCl	Methane, bromochloro-	1A'	Cs
340	CH2FOH	fluoromethanol
341	CH2CH2Cl	2-chloroethyl radical	2A'	Cs
342	CHClCH3	1-chloroethyl radical	2A	C1
343	C4	Carbon tetramer	3Σg	D∞h
344	C4	Carbon tetramer
345	C4H2+	diacetlyene cation	2Πg	D∞h
346	C4H4	Tetrahedrane
347	CH2CHCH2CH3	1-Butene	1A	C1
348	CH3CH2CH2CH3	Butane	1Ag	Anti
349	As4	Arsenic tetramer	1A1	Td
350	HCCCN+	Cyanoacetylene cation	2Π	C∞v
351	H2CNCN	cyanamide, methylene
352	HNCCNH	Ethenediimine
353	H2NCHCHNH2	diaminoethylene
354	CH7N3	triaminomethane
355	NH2CH2CH2CH3	1-Propanamine	1A'	Cs
356	N(SiH3)3	trisilylamine
357	ONNO	NO dimer	1Ag	trans C2H
358	ONNO	NO dimer	1A1	cis C2V
359	S2N2	Disulfur dinitride	1AG	D2h
360	CS3--	Carbonotrithioate
361	SO3	Sulfur trioxide	1A1'	D3h
362	S4	Sulfur tetramer
363	S4	Sulfur tetramer
364	S4	Sulfur tetramer
365	C3H2O	Propadienal
366	C3H2O	Propadienal
367	CH3NCO	methylisocyante
368	HOCH2CN	cyanomethanol
369	CH3NO2	Methane, nitro-	1A'	Cs
370	H3AlO3	Aluminum hydroxide
371	CH2C(OH)NH2	1-amino vinyl alchohol
372	CH3C(OH)=NH	Ethaninidic acid
373	CH3CSNH2	Ethanethioamide
374	C3H6O	Acetone enol	1A'	Cs
375	CH3CH2CHO	Propanal	1A'	Cs
376	Li2F2	Lithium fluoride dimer
377	CF2O+	Carbonic difluoride cation
378	BF3+	boron trifluoride cation
379	BCl3	Borane, trichloro-	1A1'	D3h
380	CF2Cl	difluorochloromethyl radical
381	CFCl2	dichlorofluoromethyl radical
382	CBr3	tribromomethyl radical
383	ClO2F	Chloryl fluoride	1A'	Cs
384	SSCl2	Thiothionyl chloride
385	NCl3	nitrogen trichloride	1A1	C3v
386	NBr3	Nitrogen Tribromide	1A1	C3v
387	HClO3	Chloric Acid	1A'	Cs
388	HClO3	Chloric Acid	1A	C1
389	SiHF3	trifluorosilane
390	CHBrCl2	Methane, bromodichloro-	1A'	Cs
391	CHBr2F	dibromofluoromethane
392	AsF3H+	Arsenic trifluoride, protonated
393	C2H2ClF	1-chloro-1-fluoroethylene	1A'	Cs
394	CHFCHCl	(E)-1-chloro-2-fluoroethene	1A'	Cs
395	CHFCHClz	(Z)-1-Chloro-2-fluoroethene	1A'	Cs
396	CHBrCHBr	Ethene, 1,2-dibromo-, (E)-
397	CHBrCHBr	Ethene, 1,2-dibromo-, (Z)-
398	C2H4F2	1,2-difluoroethane	1Ag	C2H anti
399	C2H4F2	1,2-difluoroethane	1A	C2 gauche
400	CH2CHCH2F	Allyl Fluoride
401	CH3CHCHF	trans-1-Fluoro-1-propene
402	CH2FCH2CH3	1-Fluoropropane	1A'	Cs
403	CH2FCH2CH3	1-Fluoropropane
404	CH3CHFCH3	2-Fluoropropane	1A'	Cs
405	B5H9	pentaborane9
406	C5H4	pentatetraene
407	C5H6	Propellane	1A1	D3h
408	C5H8	Bicyclo[1.1.1]pentane
409	C3H4N2	2H-Imidazole	1A1	C2v
410	C4H5N	Pyrrole	1A1	C2v
411	C3O2	Carbon suboxide	1ΣG	D∞h
412	CHOOCHO	diformyl ether
413	CH3COCCH	3-butyn-2-one	1A'	Cs
414	C4H4Se	selenophene
415	HCOOC2H5	Ethyl formate	1A'	Cs
416	C2H6O2S	Dimethyl sulfone	1A1	C2v
417	C4H8S	Thiophene, tetrahydro-	1A	C1
418	C4H10O	Methyl propyl ether	1A	C1
419	C(CH3)3SH	2-Propanethiol, 2-methyl-	1A'	Cs
420	C4H9SH	1-Butanethiol
421	CF3Br	Bromotrifluoromethane	1A1	C3v
422	CBrCl2F	bromodichlorofluoromethane
423	CBr2ClF	dibromochlorofluoromethane
424	CBr2Cl2	dibromodichloromethane	1A1	C2v
425	CBr3Cl	tribromochloromethane	1A1	C3v
426	SF4	Sulfur tetrafluoride	1A1	C2v
427	SeF4	Selenium tetrafluoride
428	CH2ClCCCl	1,3-dichloropropyne
429	CHCl2CCH	3,3-dichloropropyne
430	CHF2CH2F	Ethane, 1,1,2-trifluoro	1A	C1
431	CH3CCl2CH3	Propane, 2,2-dichloro-	1A1	C2v
432	C2H2N2O	Furazan
433	C6H6	Prismane
434	C6H6	1,2,4,5-Hexatetraene	1Ag	C2h
435	C6H6	Benzvalene	1A1	C2v
436	C6H6	Dewar Benzene
437	N3P3	1,3,5,2,4,6-Triazatriphosphorine
438	C3H2O3	vinylene carbonate
439	C5H6O	2H-Pyran
440	C5H6O	Pentadienal
441	C4H6O2	γ–Butyrolactone	1A	C1
442	C3H6O3	1,3,5-Trioxane	1A1	C1
443	C5H10O	3-Pentanone	1A1	C2v
444	C4F2	difluorobutadiyne
445	SiF5-	silicon pentafluoride anion
446	CHCl2CHCl2	Ethane, 1,1,2,2-tetrachloro-
447	CH2BrCBr3	1,1,1,2-tetrabromo ethane
448	C7H7	cycloheptatrienyl radical	2A2	C2v
449	C7H7+	cycloheptatrienyl cation	1A1'	D7h
450	CH(CN)3	tricyanomethane
451	C6H12O	Oxepane
452	F2CCCF2	tetrafluoroallene
453	SF6	Sulfur Hexafluoride	1A1G	Oh
454	S4N4	Tetrasulfur tetranitride
455	C6H4Cl2	1,4-dichlorobenzene
456	C6H5NO	nitrosobenzene	1A'	Cs
457	C3F6	hexafluoropropene
458	C8H18O	1-Octanol

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	k
21	K-	Potassium atom anion	k-
22	K+	Potassium atom cation	k+
23	Cu	Copper atom	cu
24	Cu-	Copper atom anion	cu-
25	Cu+	Copper atom cation	cu+
26	LiH	Lithium Hydride	lih
27	LiH-	lithium hydride anion	lih-
28	LiH+	lithium hydride cation	lih+
29	NaH	sodium hydride	nah
30	NaH-	sodium hydride anion	nah-
31	NaH+	sodium hydride cation	nah+
32	KH+	Potassium hydrogen cation	kh+
33	CuH	Copper monohydride	cuh
34	Be	Beryllium atom	be
35	Be-	Beryllium atom anion	be-
36	Be+	Beryllium atom cation	be+
37	Mg	Magnesium atom	mg
38	Mg-	Magnesium atom anion	mg-
39	Mg+	Magnesium atom cation	mg+
40	Ca	Calcium atom	ca
41	Ca-	Calcium atom anion	ca-
42	Ca+	Calcium atom cation	ca+
43	Zn	Zinc atom	zn
44	Zn-	Zinc atom anion	zn-
45	Zn+	Zinc atom cation	zn+
46	BeH	beryllium monohydride	beh
47	BeH-	berylium monohydride anion	beh-
48	BeH+	beryllium monohydride cation	beh+
49	MgH-	magnesium monohydride anion	mgh-
50	MgH+	magnesium monohydride cation	mgh+
51	CaH	Calcium monohydride	cah
52	CaH+	Calcium monohydride cation	cah+
53	TiH	Titanium monohydride	tih
54	ZnH	Zinc monohydride	znh
55	BeH2	beryllium dihydride	beh2
56	MgH2	magnesium dihydride	mgh2
57	CaH2	Calcium Hydride	cah2
58	ZnH2	Zinc hydride	znh2
59	B	Boron atom	b
60	B-	Boron atom anion	b-
61	B+	Boron atom cation	b+
62	Al	Aluminum atom	al
63	Al+	Aluminum atom cation	al+
64	Sc	Scandium atom	sc
65	Sc+	Scandium cation	sc+
66	Ga	Gallium atom	ga
67	Ga-	Gallium atom anion	ga-
68	Ga+	Gallium atom cation	ga+
69	BH	Boron monohydride	bh
70	BH-	boron monohydride anion	bh-
71	BH+	boron monohydride cation	bh+
72	AlH	aluminum monohydride	alh
73	AlH-	aluminum monohydride anion	alh-
74	AlH+	aluminum monohydride cation	alh+
75	ScH	Scandium monohydride	sch
76	ScH+	Scandium monohydride cation	sch+
77	GaH	Gallium monohydride	gah
78	GaH+	Gallium monohydride cation	gah+
79	BH2	boron dihydride	bh2
80	BH2-	boron dihydride anion	bh2-
81	BH2+	Boron dihydride cation	bh2+
82	AlH2	aluminum dihydride	alh2
83	AlH2-	aluminum dihydride anion	alh2-
84	AlH2+	aluminum dihydride cation	alh2+
85	BH3	boron trihydride	bh3
86	BH3-	boron trihydride anion	bh3-
87	AlH3	aluminum trihydride	alh3
88	AlH3+	aluminum trihydride cation	alh3+
89	ScH3	Scandium trihydride	sch3
90	GaH3	Gallium trihydride	gah3
91	BH4	borohydride	bh4
92	AlH4-	Aluminum tetrahydride anion	alh4-
93	C-	Carbon atom anion	c-
94	C+	Carbon atom cation	c+
95	Si	Silicon atom	si
96	Si+	Silicon atom cation	si+
97	Ti	Titanium atom	ti
98	Ti-	Titanium atom anion	ti-
99	Ti+	Titanium atom cation	ti+
100	Ge	Germanium atom	ge
101	Ge-	Germanium anion	ge-
102	Ge+	Germanium cation	ge+
103	Sn	Tin atom	sn
104	Sn+	Tin cation	sn+
105	CH	Methylidyne	ch
106	CH-	methylidyne anion	ch-
107	CH+	Methylidyne cation	ch+
108	SiH	Silylidyne	sih
109	SiH-	silicon monohydride anion	sih-
110	SiH+	silicon monohydride cation	sih+
111	GeH	germylidene	geh
112	GeH+	Germaniun monohyrdide cation	geh+
113	CH2	Methylene	ch2
114	CH2+	methylene cation	ch2+
115	SiH2	silicon dihydride	sih2
116	SiH2-	silicon dihydride anion	sih2-
117	SiH2+	silicon dihydride cation	sih2+
118	GeH2-	germylene anion	geh2-
119	CH3	Methyl radical	ch3
120	CH3-	methyl anion	ch3-
121	CH3+	methyl cation	ch3+
122	SiH3	Silyl radical	sih3
123	SiH3-	Silyl anion	sih3-
124	GeH3	Germyl radical	geh3
125	GeH3+	germyl cation	geh3+
126	CD4	methane-d4	cd4
127	CH2D2	methane-d2	ch2d2
128	CH3D	methane-d	ch3d
129	CH4	Methane	ch4
130	CH4-	Methane anion	ch4-
131	CH4+	Methane cation	ch4+
132	CHD3	methane-d3	chd3
133	SiH4	Silane	sih4
134	SiH4+	Silane cation	sih4+
135	SnH4	Stannane	snh4
136	N-	Nitrogen atom anion	n-
137	N+	Nitrogen atom cation	n+
138	P-	Phosphorus atom anion	p-
139	P+	Phosphorus atom cation	p+
140	V	Vanadium atom	v
141	Sb	Antimony atom	sb
142	NH	Imidogen	nh
143	NH-	Imidogen anion	nh-
144	NH+	imidogen cation	nh+
145	PH-	phosphorus monohydride anion	ph-
146	PH+	phosphorus monohydride cation	ph+
147	AsH	Arsenic monohydride	ash
148	AsH+	Arsenic monohydride cation	ash+
149	SbH	Antimony monohydride	sbh
150	ND2	Amidogen-d2	nd2
151	NH2-	amino anion	nh2-
152	PH2	Phosphino radical	ph2
153	PH2-	Phosphino anion	ph2-
154	PH2+	Phosphino cation	ph2+
155	AsH2	Arsenic dihydride	ash2
156	AsH2+	Arsenic dihydride cation	ash2+
157	ND3	Ammonia-d3	nd3
158	NH3	Ammonia	nh3
159	NH3-	Ammonia anion	nh3-
160	NH3+	ammonia cation	nh3+
161	AsH3	Arsine	ash3
162	AsH3+	Arsine cation	ash3+
163	SbH3	Stibine	sbh3
164	AsH4+	Arsonium	ash4+
165	NH4+	ammonium cation	nh4+
166	PH4+	phosphonium cation	ph4+
167	O-	Oxygen atom anion	o-
168	O+	Oxygen atom cation	o+
169	S	Sulfur atom	s
170	S-	Sulfur atom anion	s-
171	S+	Sulfur atom cation	s+
172	Cr	Chromium atom	cr
173	Te	Tellurium atom	te
174	Te+	Tellurium atom cation	te+
175	DO	Hydroxyl-d	od
176	OH-	hydroxide anion	oh-
177	DS	Mercapto-d	ds
178	HS	Mercapto radical	hs
179	CrH	Chromium hydride	crh
180	TeH	Telluryl radical	teh
181	D2O	Deuterium oxide	d2o
182	D2S	Hydrogen sulfide-d2	d2s
183	H2S	Hydrogen sulfide	h2s
184	H2S-	Hydrogen sulfide anion	h2s-
185	H2Te	Hydrogen Telluride	h2te
186	H3O+	hydronium cation	h3o+
187	F-	Fluorine atom anion	f-
188	F+	Fluorine atom cation	f+
189	Cl-	Chlorine atom anion	cl-
190	Cl+	Chlorine atom cation	cl+
191	Mn	Manganese atom	mn
192	I	Iodine atom	iodine
193	I-	Iodine atom anion	iodine-
194	I+	Iodine atom cation	iodine+
195	DF	Hydrofluoric acid-d	df
196	HF	Hydrogen fluoride	hf
197	HF-	hydrogen fluoride anion	hf-
198	HF+	hydrogen fluoride cation	hf+
199	DCl	Hydrochloric acid-d	dcl
200	HCl	Hydrogen chloride	hcl
201	HCl-	hydrogen chloride anion	hcl-
202	HI	Hydrogen iodide	hi
203	HI+	Hydrogen iodide cation	hi+
204	H2F+	dihydrogen fluoride cation	h2f+
205	H2I+	Iodonium	h2i+
206	Ne	Neon atom	ne
207	Ne-	Neon atom anion	ne-
208	Ne+	Neon atom cation	ne+
209	Ar	Argon atom	ar
210	Ar-	Argon atom anion	ar-
211	Ar+	Argon atom cation	ar+
212	Fe	Iron atom	fe
213	Xe	Xenon atom	xe
214	NeH	neon hydrogen	neh
215	NeH+	neon hydrogen cation	neh+
216	XeH+	Xenon, protonated	xeh+
217	H2Ar	H2 Ar dimer	h2ar
218	Co	Cobalt atom	cobalt
219	Ni	Nickel atom	ni
220	Li2	Lithium diatomic	li2
221	Li2-	lithium diatomic anion	li2-
222	Li2+	lithium diatomic cation	li2+
223	NaLi	lithium sodium	lina
224	NaLi-	lithium sodium anion	lina-
225	NaLi+	lithium sodium cation	lina+
226	LiK	Lithium Potassium	lik
227	Na2	Sodium diatomic	na2
228	Na2+	sodium diatomic cation	na2+
229	NaK	Sodium Potassium	nak
230	NaK+	Sodium Potassium diatomic cation	nak+
231	K2	Potassium diatomic	k2
232	Cu2	Copper diatomic	cu2
233	LiBe	Lithium Beryllium	libe
234	LiMg	Lithium magnesium	limg
235	NaBe	Sodium Beryllium	nabe
236	NaMg	Sodium Magnesium	namg
237	Be2	Beryllium diatomic	be2
238	Be2-	Beryllium diatomic anion	be2-
239	Be2+	Beryllium diatomic cation	be2+
240	BeMg	Beryllium Magnesium	bemg
241	Mg2	Magnesium diatomic	mg2
242	Mg2-	magnesium diatomic anion	mg2-
243	Mg2+	magnesium diatomic cation	mg2+
244	Ca2	Calcium diatomic	ca2
245	LiB	Lithium boride	lib
246	NaAl	Sodium aluminum	naal
247	BeB	Beryllium monoboride	beb
248	B2	Boron diatomic	b2
249	B2-	Boron diatomic anion	b2-
250	B2+	Boron diatomic cation	b2+
251	BAl	Boron Aluminum	bal
252	Al2	Aluminum diatomic	al2
253	Al2-	aluminum diatomic anion	al2-
254	Al2+	aluminum diatomic cation	al2+
255	BGa	Boron Gallium	bga
256	AlGa	Aluminum Gallium	alga
257	Ga2	Gallium diatomic	ga2
258	LiBH4	Lithium borohydride	libh4
259	HBHHBH	Diborane(4) C2V	hbhhbh
260	Al2H6	dialane	al2h6
261	Ga2H6	digallane	ga2h6
262	LiC	Lithium Carbide	lic
263	BeC	Beryllium Carbide	bec
264	BC	boron monocarbide	bc
265	BC-	boron monocarbide anion	bc-
266	BC+	boron monocarbide cation	bc+
267	AlC	Aluminum carbide	alc
268	C2	Carbon diatomic	c2
269	C2-	carbon diatomic anion	c2-
270	C2+	carbon diatomic cation	c2+
271	SiC	silicon monocarbide	sic
272	SiC-	silicon monocarbide anion	sic-
273	SiC+	silicon monocarbide cation	sic+
274	Si2	Silicon diatomic	si2
275	Si2-	silcon diatomic anion	si2-
276	Si2+	silcon diatomic cation	si2+
277	GeC	Germanium monocarbide	gec
278	Ge2	Germanium diatomic	ge2
279	C2H	Ethynyl radical	c2h
280	C2H+	Ethynyl cation	c2h+
281	ZnCH2	Zinc methylene	znch2
282	C2H2	Acetylene	c2h2
283	CCH2	vinylidene	vinylidene
284	Si2H2	disilyne	si2h2
285	CuCH3	monomethyl copper	cuch3
286	ZnCH3	Zinc monomethyl	znch3
287	CH2BH	methyleneborane	ch2bh
288	C2H3-	vinyl anion	c2h3-
289	C2H4	Ethylene	c2h4
290	C2H4-	Ethylene anion	c2h4-
291	CH3CH	methylmethylene	ch3ch
292	CH2SiH2	silaethylene	ch2sih2
293	CH3BH2	methylborane	ch3bh2
294	C2H5-	Ethyl anion	c2h5-
295	C2H5+	Ethyl cation	c2h5+
296	C2H6	Ethane	c2h6
297	C2H6+	ethane cation	c2h6+
298	CH3SiH3	methyl silane	ch3sih3
299	GeH3CH3	methyl germane	geh3ch3
300	C2H7+	Ethane, protonated	c2h7+
301	LiN	Lithium Nitride	lin
302	LiN+	Lithium Nitride cation	lin+
303	BeN	Beryllium mononitride	ben
304	BeN-	Beryllium mononitride anion	ben-
305	BeN+	Beryllium mononitride cation	ben+
306	BN-	boron nitride anion	bn-
307	AlN-	aluminum mononitride anion	aln-
308	AlN+	aluminum mononitride cation	aln+
309	BP	Boron monophosphide	bp
310	AlP	Aluminum monophosphide	alp
311	GaN	Gallium mononitride	gan
312	GaP	Gallium monophosphide	gap
313	GaAs	Gallium arsenide	gaas
314	BN	boron nitride	bn
315	BN+	boron nitride cation	bn+
316	AlN	Aluminum nitride	aln
317	CN-	cyanide anion	cn-
318	CN+	Cyano cation	cn+
319	CP	Carbon monophosphide	cp
320	CP-	carbon monophosphide anion	cp-
321	CP+	carbon monophosphide cation	cp+
322	SiN	Silicon nitride	sin
323	SiN-	silicon mononitride anion	sin-
324	SiN+	silicon mononitride cation	sin+
325	SiP-	Silicon monophosphide anion	sip-
326	SiP+	Silicon monophosphide cation	sip+
327	TiN	Titanium mononitride	tin
328	N2	Nitrogen diatomic	n2
329	N2-	nitrogen diatomic anion	n2-
330	N2+	diatomic nitrogen cation	n2+
331	PN	Phosphorus mononitride	pn
332	PN-	phosphorus nitride anion	pn-
333	PN+	phosphorus nitride cation	pn+
334	P2	Phosphorus diatomic	p2
335	P2-	phosphorus diatomic anion	p2-
336	P2+	phosphorus diatomic cation	p2+
337	AsN	Arsenic mononitride	asn
338	AsP	Arsenic monophosphide	asp
339	SbN	Antimony nitride	sbn
340	As2	Arsenic diatomic	as2
341	HNB	hydrogen nitrogen boron	hnb
342	HNC	hydrogen isocyanide	hnc
343	HCN-	Hydrogen cyanide anion	hcn-
344	HCP	Phosphaethyne	hcp
345	HCP+	Phosphaethyne cation	hcp+
346	NNH	Dinitrogen monohydride	nnh
347	HPO	Hydrogen phosphorus oxide	hpo
348	HPO+	Hydrogen phosphorus oxide cation	hpo+
349	CNH2	Aminomethylidyne radical	cnh2
350	CNH2+	N-protonated hydrogen isocyanide	cnh2+
351	H2CN	Dihydrogen cyanide radical	h2cn
352	H2CN+	hydrocyanonium cation	h2cn+
353	HCNH	methyleneazane	hcnh
354	HCNH+	N-protonated HCN	hcnh+
355	H2NN	Isodiazene	h2nn
356	N2H2	(E)-diazene	n2h2
357	N2H2	(Z)-Diazene	n2h2z
358	CH2PH	Phosphaethene	ch3p
359	CH2NH2+	methyleneamine cation	ch2nh2+
360	N2H4+	hydrazine cation	n2h4+
361	P2H4	Diphosphine	p2h4
362	CH3NH2	methyl amine	ch3nh2
363	CH3NH2+	methyl amine cation	ch3nh2+
364	CH3PH2	Methyl phosphine	ch3ph2
365	N2H5+	protonated hydrazine	n2h5+
366	BH3NH3	borane ammonia	bh3nh3
367	CH3NH3+	protonated methylamine	ch3nh3+
368	CH3PH3+	methyl phosphine, protonated	ch3ph3+
369	NH3NH3	Ammonia Dimer	nh3nh3
370	LiO	lithium oxide	lio
371	LiO-	lithium oxide anion	lio-
372	LiO+	lithium oxide cation	lio+
373	LiS	Lithium monosulfide	lis
374	LiS+	Lithium sulfide cation	lis+
375	NaO	sodium monoxide	nao
376	NaO-	sodium oxide anion	nao-
377	NaO+	sodium oxide cation	nao+
378	KO	Potassium monoxide	ko
379	KO+	Potassium monoxide cation	ko+
380	NaS	Sodium sulfide	nas
381	CuO	Copper Monoxide	cuo
382	LiSe	Lithium monoselenide	lise
383	BeO	beryllium oxide	beo
384	BeO-	Beryllium monoxide anion	beo-
385	BeO+	Beryllium monoxide cation	beo+
386	BeS	beryllium sulfide	bes
387	MgO	magnesium oxide	mgo
388	MgO-	magnesium oxide anion	mgo-
389	MgO+	magnesium oxide cation	mgo+
390	MgS	magnesium sulfide	mgs
391	MgS-	magnesium sulfide anion	mgs-
392	MgS+	magnesium sulfide cation	mgs+
393	ZnO	zinc monoxide	zno
394	ZnS	Zinc sulfide	zns
395	BeS-	Beryllium monosulfide anion	bes-
396	BeS+	Beryllium monosulfide cation	bes+
397	BO-	boron monoxide anion	bo-
398	AlO	Aluminum monoxide	alo
399	AlO-	Aluminum monoxide anion	alo-
400	AlO+	aluminum monoxide cation	alo+
401	BS	boron sulfide	bs
402	BS-	boron monosulfide anion	bs-
403	BS+	boron monosulfide cation	bs+
404	AlS	Aluminum sulfide	als
405	AlS-	aluminum monosulfide anion	als-
406	AlS+	aluminum monosulfide cation	als+
407	ScO	Scandium monoxide	sco
408	GaO	Gallium monoxide	gao
409	GaS	Gallium monosulfide	gas
410	BO+	boron monoxide cation	bo+
411	CS	carbon monosulfide	cs
412	CS-	carbon monosulfide anion	cs-
413	CS+	carbon monosulfide cation	cs+
414	SiO	Silicon monoxide	sio
415	SiO-	silicon monoxide anion	sio-
416	SiO+	silicon monoxide cation	sio+
417	SiS	silicon monosulfide	sis
418	SiS-	silicon monosulfide anion	sis-
419	SiS+	silicon monosulfide cation	sis+
420	TiO	Titanium monoxide	tio
421	CSe	Carbon monoselenide	cse
422	CSe-	Carbon monoselenide anion	cse-
423	CSe+	Carbon monoselenide cation	cse+
424	GeO+	Germanium monoxide cation	geo+
425	GeS	Germanium monosulfide	ges
426	GeSe	Germanium monoselenide	gese
427	NS	Mononitrogen monosulfide	ns
428	NS-	nitrogen sulfide anion	ns-
429	NS+	nitrogen sulfide cation	ns+
430	PO-	phosphorus monoxide anion	po-
431	PO+	phosphorus monoxide cation	po+
432	PS-	phosphorus monosulfide anion	ps-
433	PS+	phosphorus monosulfide cation	ps+
434	VO	Vanadium monoxide	vo
435	AsO	Arsenic monoxide	aso
436	O2	Oxygen diatomic	o2
437	O2-	oxygen diatomic anion	o2-
438	O2--	dioxygen dianion	o2--
439	O2+	diatomic oxygen cation	o2+
440	SO	Sulfur monoxide	so
441	SO-	sulfur monoxide anion	so-
442	S2-	sulfur diatomic anion	s2-
443	S2+	sulfur diatomic cation	s2+
444	SeO-	selenium monoxide anion	seo-
445	SeO+	selenium monoxide cation	seo+
446	SeS	Selenium monosulfide	ses
447	SeS-	selenium monosulfide anion	ses-
448	SeS+	selenium monosulfide cation	ses+
449	TeO	Tellurium monoxide	teo
450	Se2	Selenium diatomic	se2
451	Se2-	selenium diatomic anion	se2-
452	Se2+	selenium diatomic cation	se2+
453	Te2	Tellurium diatomic	te2
454	NaOH	sodium hydroxide	naoh
455	MgOH	magnesium hydroxide	mgoh
456	CaOH	Calcium monohydroxide	caoh
457	HBS	hydrogen boron sulfide	hbs
458	COH+	Carbon Monoxide, protonated	coh+
459	HCO	Formyl radical	hco
460	HCO+	Formyl cation	hco+
461	HCS	Thioformyl radical	hcs
462	HCS-	Thioformyl anion	hcs-
463	HCS+	Thioformyl cation	hcs+
464	HNO	Nitrosyl hydride	hno
465	HNO-	Nitrosyl hydride anion	hno-
466	NOH	Hydroxyimidogen	noh
467	NOH+	O-protonated nitric oxide	noh+
468	HNS	Sulfur imide	hns
469	HNS-	Sulfur imide anion	hns-
470	HO2	Hydroperoxy radical	ho2
471	HO2-	Hydroperoxy anion	ho2-
472	HO2+	Hydroperoxy cation	ho2+
473	HS2	Thiosulfeno radical	hs2
474	HOCH	hydroxycarbene	hoch
475	H2CS+	thioformaldehyde cation	h2cs+
476	H2CSe	Selenoformaldehyde	h2cse
477	H2NO	nitroxide	h2no
478	H2O2+	Hydrogen peroxide cation	h2o2+
479	H2S2	Disulfane	h2s2
480	H2S2+	hydrogen disulfide cation	h2s2+
481	H2Se2	hydrogen diselenide	h2se2
482	CH2OH	Hydroxymethyl radical	ch2oh
483	CH3O	Methoxy radical	ch3o
484	CH3O+	Methoxy cation	ch3o+
485	CH3S	thiomethoxy	ch3s
486	H2CSH+	Thioformaldehyde, protonated	h2csh+
487	NH3O	Ammonia Oxide	nh3o
488	H2POH	Phosphinous acid	h2poh
489	H3PO	Phosphine oxide	h3po
490	H3O2+	hydrogen peroxide, protonated	h3o2+
491	CH3OH-	Methyl alcohol anion	ch3oh-
492	CH3OH+	Methyl alcohol cation	ch3oh+
493	CH3SH	Methanethiol	ch3sh
494	CH3SH+	Methanethiol cation	ch3sh+
495	CH3SeH	Methane selenol	ch3seh
496	H2OH2O	water dimer	h2oh2o
497	CH3OH2+	Methanol, protonated	ch3oh2+
498	CH3SH2+	protonated methylsulfide	ch3sh2+
499	H2ONH3	Water Ammonia Dimer	h2onh3
500	LiCl-	lithium chloride anion	licl-
501	LiCl+	lithium chloride cation	licl+
502	NaF	sodium fluoride	naf
503	NaF-	sodium fluoride anion	naf-
504	KF	Potassium Fluoride	kf
505	NaCl	Sodium Chloride	nacl
506	NaCl-	sodium chloride anion	nacl-
507	NaCl+	sodium chloride cation	nacl+
508	KCl	Potassium Chloride	kcl
509	CuF	Copper monofluoride	cuf
510	LiBr-	lithium bromide anion	libr-
511	LiBr+	lithium bromide cation	libr+
512	CuCl	Copper monochloride	cucl
513	NaBr	Sodium Bromide	nabr
514	NaBr-	sodium bromide anion	nabr-
515	NaBr+	sodium bromide cation	nabr+
516	KBr	Potassium Bromide	kbr
517	LiI	Lithium Iodide	lii
518	NaI	Sodium Iodide	nai
519	KI	Potassium Iodide	ki
520	LiF-	lithium fluoride anion	lif-
521	BeF	Beryllium monofluoride	bef
522	BeF-	Beryllium monofluoride anion	bef-
523	BeF+	Beryllium monofluoride cation	bef+
524	BeCl	beryllium monochloride	becl
525	MgF	Magnesium monofluoride	mgf
526	MgF-	magnesium fluoride anion	mgf-
527	MgF+	magnesium fluoride cation	mgf+
528	CaF	Calcium monofluoride	caf
529	MgCl	magnesium monochloride	mgcl
530	MgCl-	magnesium monochloride anion	mgcl-
531	MgCl+	magnesium monochloride cation	mgcl+
532	CaCl	calcium monochloride	cacl
533	TiCl	Titanium Monochloride	ticl
534	ZnF	Zinc monofluoride	znf
535	ZnF-	Zinc monofluoride anion	znf-
536	ZnF+	Zinc monofluoride cation	znf+
537	ZnCl	Zinc monochloride	zncl
538	BeCl-	beryllium monochloride anion	becl-
539	BeCl+	beryllium monochloride cation	becl+
540	BF	Boron monofluoride	bf
541	BF-	Boron monofluoride anion	bf-
542	BF+	Boron monofluoride cation	bf+
543	AlF	Aluminum monofluoride	alf
544	AlF-	Aluminum monofluoride anion	alf-
545	AlF+	Aluminum monofluoride cation	alf+
546	BCl	boron monochloride	bcl
547	BCl-	boron monochloride anion	bcl-
548	BCl+	boron monochloride cation	bcl+
549	AlCl	Aluminum monochloride	alcl
550	AlCl-	aluminum monochloride anion	alcl-
551	AlCl+	aluminum monochloride cation	alcl+
552	ScF	Scandium monofluoride	scf
553	BBr	Boron monobromide	bbr
554	GaF	Gallium monofluoride	gaf
555	GaF+	Gallium monofluoride cation	gaf+
556	GaCl	Gallium monochloride	gacl
557	GaCl+	Gallium monochloride cation	gacl+
558	AlI	Aluminum monoiodide	ali
559	GaBr	Gallium monobromide	gabr
560	CF-	carbon monofluoride anion	cf-
561	CF+	carbon monofluoride cation	cf+
562	CCl	carbon monochloride	ccl
563	CCl-	carbon monochloride anion	ccl-
564	CCl+	carbon monochloride cation	ccl+
565	SiF	silicon monofluoride	sif
566	SiF-	silicon monofluoride anion	sif-
567	SiF+	silicon monofluoride cation	sif+
568	SiCl	Clorosilylidyne	sicl
569	SiCl-	silicon monochloride anion	sicl-
570	SiCl+	silicon monochloride cation	sicl+
571	GeF	Germanium monofluoride	gef
572	GeF+	Germanium monofluoride cation	gef+
573	GeCl	Germanium monochloride	gecl
574	NF	nitrogen fluoride	nf
575	NF-	nitrogen monofluorine anion	nf-
576	NF+	nitrogen monofluoirde cation	nf+
577	NCl-	nitrogen monochloride anion	ncl-
578	NCl+	nitrogen monochloride cation	ncl+
579	PF	phosphorus monofluoride	pf
580	PF-	phosphorus monofluoride anion	pf-
581	PF+	phosphorus monofluoride cation	pf+
582	PCl	phosphorus chloride	pcl
583	PCl-	phosphorus monochloride anion	pcl-
584	PCl+	phosphorus monochloride cation	pcl+
585	AsF	Arsenic monofluoride	asf
586	NBr	nitrogen monobromide	nbr
587	AsCl	Arsenic monochloride	ascl
588	SbF	Antimony monofluoride	sbf
589	SbCl	Antimony monochloride	sbcl
590	FO	Oxygen monofluoride	fo
591	FO-	flourine oxide anion	fo-
592	FO+	fluorine monoxide cation	fo+
593	ClO	Monochlorine monoxide	clo
594	ClO-	chlorine monoxide anion	clo-
595	ClO+	chlorine monoxide cation	clo+
596	SF	Monosulfur monofluoride	sf
597	SF-	sulfur monofluoride anion	sf-
598	SF+	sulfur monofluoride cation	sf+
599	SCl	sulfur monochloride	scl
600	SCl-	sulfur monochloride anion	scl-
601	SCl+	sulfur monochloride cation	scl+
602	BrO	Bromine monoxide	bro
603	BrO-	Bromine monoxide anion	bro-
604	BrO+	Bromine monoxide cation	bro+
605	SeF	Selenium monofluoride	sef
606	SBr	Sulfur monobromide radical	sbr
607	SBr+	Sulfur monobromide cation	sbr+
608	SeCl	Selenium monochloride	secl
609	IO	Iodine monoxide	io
610	SeBr	Selenium monobromide	sebr
611	F2-	flourine diatomic anion	f2-
612	ClF-	clorine monofluoride anion	clf-
613	Cl2	Chlorine diatomic	cl2
614	Cl2-	chlorine diatomic anion	cl2-
615	BrF-	bromine fluoride anion	brf-
616	BrF+	bromine fluoride cation	brf+
617	BrCl-	bromine chloride anion	brcl-
618	BrCl+	bromine chloride cation	brcl+
619	IF	Iodine monofluoride	if
620	ICl	Iodine monochloride	icl
621	IBr	Iodine monobromide	ibr
622	I2	Iodine diatomic	i2
623	I2+	Iodine diatomic cation	i2+
624	HCCl	Chloromethylene	hccl
625	HSiF	fluorosilylene	hsif
626	HSiCl	Chlorosilylene	hsicl
627	HSiBr	monobromosilylene	hsibr
628	CHBr	bromomethylene	chbr
629	HOF	Hypofluorous acid	hfo
630	DOCl	Hypochlorous acid-d	docl
631	HOBr	Hypobromous acid	hobr
632	HOBr+	Hypobromous acid cation	hobr+
633	HOI	Hypoiodous acid	hoi
634	FHF	Hydrogen difluoride	fhf
635	FHF-	Hydrogen difluoride anion	fhf-
636	NH2F	monofluoroamine	nh2f
637	H2F2	Hydrogen fluoride dimer	h2f2
638	CD3F	methylfluoride-d3	cd3f
639	CH3F	Methyl fluoride	ch3f
640	CD3Cl	methyl chloride d3	cd3cl
641	CH3Cl+	Methyl chloride cation	ch3cl+
642	SiH3F	monofluorosilane	sih3f
643	GeH3F	monofluorogermane	geh3f
644	GeH3Cl	monochlorogermane	geh3cl
645	SiH3Br	bromosilane	sih3br
646	CH3I	methyl iodide	ch3i
647	SiH3I	Silyl Iodide	sih3i
648	NH3Cl+	protonated monochloroammonia	nh3cl+
649	Ne2	Neon diatomic	ne2
650	Ne2+	Neon diatomic cation	ne2+
651	Ar2	Argon diatomic	ar2
652	Ar2+	Argon diatomic cation	ar2+
653	Li3	Lithium trimer	li3
654	Li3+	Lithium trimer cation	li3+
655	C3+	carbon trimer cation	c3+
656	SiC2	Silicon dicarbide	sic2
657	C3H3	cyclopropenyl radical	cpr
658	C3H3	Propargyl radical	propargyl
659	C3H3-	Propargyl anion	c3h3-
660	C3H3+	cyclopropenyl cation	cpr+
661	C3H3+	Propargyl cation	c3h3+
662	CH2CCH2	allene	allene
663	C3H5	Allyl radical	allyl
664	C3H5+	Allyl cation	allyl+
665	CH3CHCH	1-propenyl radical	ch3chch
666	Zn(CH3)2	dimethyl zinc	dmz
667	C3H6	Cyclopropane	c3h6
668	C3H7+	cyclopropane, protonated	c3h7+
669	CH3CHCH3	Isopropyl radical	isopropyl
670	SiH2(CH3)2	dimethylsilane	dms
671	NaCN	Sodium Cyanide	nacn
672	CuCN	Copper cyanide	cucn
673	AlCN	Aluminum monocyanide	alcn
674	AlNC	Aluminum isocyanide	alnc
675	CN2	3H-Diazirin-3-ylidene	cn2
676	CNN	Diazocarbene	cnn
677	NCN	Cyanoimidogen	ncn
678	N3-	azide anion	n3-
679	N3+	azide cation	n3+
680	HCCN	cyanomethylene	hccn
681	HCNN	diazomethyl radical	hcnn
682	HN3	hydrogen azide	hn3
683	CH2N2	diazirine	ch2n2
684	CH2NN	diazomethane	ch2nn
685	NH2CN	cyanamide	cyanamide
686	CH3CN+	Acetonitrile cation	ch3cn+
687	CH3NC	methyl isocyanide	ch3nc
688	HNCNH2+	diiminomethane, protonated	hncnh2+
689	NCNH3+	Cyanamide, protonated	ncnh3+
690	CH2CHNH	vinylazine	ch2chnh
691	CH3CHN	methylmethaniminyl radical	ch3chn
692	NHCHNH2	aminomethanimine	cn2h4
693	C2H5N	Aziridine	c2h5n
694	CH2CHNH2	aminoethene	aminoethene
695	CH2NCH3	N-methylmethanimine	nmm
696	CH3CHNH	ethanimine	ethanimine
697	NH2BHNH2	diaminoborane	nh2bhnh2
698	C2H5NH+	Protonated Aziridine	c2h5nh+
699	NH2CH2NH2	diaminomethane	nh2ch2nh2
700	CH3NHCH3	Dimethylamine	ch3nhch3
701	CH3PHCH3	dimethylphosphine	ch3phch3
702	NH2CH2NH3+	diaminoethane, protonated	pdam
703	(CH3)2NH2+	dimethylammonium cation	dmam
704	CH3CH2NH3+	ethylamine, protonated	pea
705	Li2O+	dilithium oxide cation	li2o+
706	Li2S	dilithium sulfide	li2s
707	LiO2	Lithium dioxide	lio2
708	CCO	Dicarbon monoxide	cco
709	CNO-	fulminate	cno-
710	NCO-	cyanate	nco-
711	SCN	thiocyanato radical	scn
712	SCN-	thiocyanide anion	scn-
713	BO2	Boron dioxide	bo2
714	BO2-	Boron dioxide anion	bo2-
715	BO2+	Boron dioxide cation	bo2+
716	N2O-	Nitrous oxide anion	n2o-
717	N2O+	Nitrous oxide cation	n2o+
718	NNS	Nitrogen sulfide	nns
719	PPO	Phosphorus oxide phosphide	ppo
720	CO2	Carbon dioxide	co2
721	CO2-	Carbon dioxide anion	co2-
722	CO2+	Carbon dioxide cation	co2+
723	OCS+	Carbonyl sulfide cation	cos+
724	SiO2	silicon dioxide	sio2
725	CS2-	Carbon disulfide anion	cs2-
726	CS2+	Carbon disulfide cation	cs2+
727	TiO2	Titanium dioxide	tio2
728	SiS2	Silicon disulfide	sis2
729	GeO2	Germanium dioxide	geo2
730	GeS2	Germanium disulfide	ges2
731	CSe2	Carbon diselenide	cse2
732	SCTe	Carbon sulfide Telluride	scte
733	NO2	Nitrogen dioxide	no2
734	NO2-	Nitrogen dioxide anion	no2-
735	NO2+	Nitrogen dioxide cation	no2+
736	PO2	Phosphorus dioxide	po2
737	PO2-	Phosphorus dioxide anion	po2-
738	PO2+	Phosphorus dioxide cation	po2+
739	AsO2	Aresenic dioxide	aso2
740	O3	Ozone	o3
741	O3-	Ozone anion	o3-
742	O3+	Ozone cation	o3+
743	SO2	Sulfur dioxide	so2
744	SO2-	Sulfur dioxide anion	so2-
745	SO2+	Sulfur dioxide cation	so2+
746	SSO	Disulfur monoxide	sso
747	S3-	Sulfur trimer anion	s3-
748	S3+	Sulfur trimer cation	s3+
749	SeO2+	Selenium dioxide cation	seo2+
750	TeO2	Tellurium Dioxide	teo2
751	CS2H+	Carbon disulfide, protonated	cs2h+
752	HCNO	fulminic acid	hcno
753	HNCO	Isocyanic acid	hnco
754	HOCN	cyanic acid	hocn
755	HCO2-	formate anion	hco2-
756	HNNO	nitrosoazane	hnno
757	HNNO+	Nitrous oxide, N-protonated	hnno+
758	NNOH+	Nitrous Oxide, O-protonated	nnoh+
759	HCOO	formate neutral radical	hcoo
760	HOCO+	Hydrocarboxyl cation	hoco+
761	HNO2	Nitrous acid	hno2
762	HNO2+	nitrous acid cation	hno2+
763	SO2H+	protonated sulfur dioxide	so2h+
764	CH2CO+	Ketene cation	ch2co+
765	HCCOH	ethynol	hccoh
766	Mg(OH)2	Magnesium dihydroxide	h2mgo2
767	NH2NO	Nitrosamide	nh2no
768	CH2O2	Dioxirane	diox
769	H2O3	Hydrogen trioxide	h2o3
770	HSSSH	trisulfane	hsssh
771	NaOCH3	Sodium methoxide	naoch3
772	CH2BOH	hydroxy(methylene)borane	ch2boh
773	BH3CO	Borane carbonyl	bh3co
774	CH3BO	Borane, methyloxo-	ch3bo
775	CH2CHO	Vinyloxy radical	ch2cho
776	CH3CO	Acetyl radical	ch3co
777	CH3CO-	Acetyl anion	ch3co-
778	CH3CO+	acetyl cation	ch3co+
779	CH2NOH	formaldoxime	ch2noh
780	CH3NO	nitrosomethane	ch3no
781	CHONH2	formamide	formamide
782	CNOH3	1,2-oxaziridine	cnoh3
783	CH2OOH	CH2OOH radical	ch2ooh
784	CH3OO	methylperoxy radical	ch3oo
785	CH3OO-	methylperoxy anion	ch3oo-
786	CH3OO+	methylperoxy cation	ch3oo+
787	CH2CHOH	ethenol	ch2choh
788	H2CONH2+	protonated formamide	h2conh2+
789	NH3CHO+	Formamide, N-Protonated	nh3cho+
790	CH2(OH)2	methanediol	ch2o2h2
791	CH3OOH	Methyl peroxide	ch3ooh
792	H2OH2CO	water formaldehyde dimer	h2oh2co
793	CH2CH2OH	2-hydroxy ethyl radical	ch2ch2oh
794	CH3CH2O	Ethoxy radical	ethoxy
795	CH3CHOH	1-hydroxy-ethyl radical	ch3choh
796	CH3CHOH+	acetaldehyde, protonated	ch3choh+
797	CH3OCH2	methoxymethyl radical	ch3och2
798	CH3CH2OH	Ethanol	etoh
799	CH3OCH3	Dimethyl ether	meome
800	CH3SeCH3	dimethylselenide	dmse
801	CH3OHH2O	methanol water dimer	ch3ohh2o
802	H2OCH3OH	water methanol dimer	h2och3oh
803	CuF2	Copper difluoride	cuf2
804	ZnF2	Zinc difluoride	znf2
805	FCN	Cyanogen fluoride	fcn
806	ClCN	chlorocyanogen	clcn
807	ICN	Cyanogen iodide	icn
808	FBO	Boron monofluoride monoxide	fbo
809	BeF2	Beryllium fluoride	bef2
810	MgF2	Magnesium fluoride	mgf2
811	BeCl2	Beryllium chloride	becl2
812	MgCl2	Magnesium dichloride	mgcl2
813	CaCl2	Calcium Chloride	cacl2
814	ZnCl2	Zinc dichloride	zncl2
815	BeBr2	Beryllium bromide	bebr2
816	CaF2	Calcium difluoride	caf2
817	FCO	Carbonyl fluoride	fco
818	FCO+	Carbonyl fluoride cation	fco+
819	ClCO	carbonyl monochloride	clco
820	FNO	Nitrosyl fluoride	fno
821	ClNO	Nitrosyl chloride	clno
822	FNS	Thionitrosyl fluoride	fns
823	BrNO	Nitrosyl bromide	brno
824	INO	Nitrosyl iodide	ino
825	CF2-	Difluoromethylene anion	cf2-
826	CF2+	Difluoromethylene cation	cf2+
827	SiF2	Silicon difluoride	sif2
828	SiF2+	Silicon difluoride cation	sif2+
829	CCl2	dichloromethylene	ccl2
830	CCl2-	dichloromethylene anion	ccl2-
831	CCl2+	dichloromethylene cation	ccl2+
832	SiCl2	Dichlorosilylene	sicl2
833	GeF2	Germanium difluoride	gef2
834	GeCl2	Germanium dichloride	gecl2
835	FOO	Dioxygen monofluoride radical	foo
836	FOO+	Fluorine dioxide cation	foo+
837	ClOO	chloroperoxy radical	cloo
838	ClOO+	chloroperoxy cation	cloo+
839	OClO	Chlorine dioxide	oclo
840	OClO+	Chlorine dioxide cation	oclo+
841	ClSO	Sulfur chloride oxide	clso
842	ClS2	Sulfur chloride	cls2
843	NF2	Difluoroamino radical	nf2
844	NF2+	Difluoroamino cation	nf2+
845	PF2+	Phosphorus difluoride cation	pf2+
846	F2O	Difluorine monoxide	f2o
847	SF2-	sulfur difluoride anion	sf2-
848	SF2+	sulfur difluoride cation	sf2+
849	Cl2O	Dichlorine monoxide	cl2o
850	SCl2	Sulfur dichloride	scl2
851	SeF2	Selenium difluoride	sef2
852	BrOCl	Bromine hypochlorite	brocl
853	SeCl2	Selenium Dichloride	secl2
854	SBr2	Sulfur dibromide	sbr2
855	SeBr2	Selenium dibromide	sebr2
856	BrOBr	Bromine oxide	brobr
857	F3-	trifluoride anion	f3-
858	Cl3-	trichloride anion	cl3-
859	Br3-	tribromide anion	br3-
860	I3-	triiodide	i3-
861	HCCF	Fluoroacetylene	hccf
862	HCCF+	fluoroacetylene cation	hccf+
863	HCCCl	Chloroacetylene	hcccl
864	HFCO	formyl fluoride	hfco
865	HFCO+	formyl fluoride cation	hfco+
866	COHCl	Formyl chloride	cohcl
867	COHBr	Formyl bromide	cohbr
868	BHF2	Difluoroborane	bhf2
869	BHCl2	Borane, dichloro-	bhcl2
870	CHCl2	dichloromethyl radical	chcl2
871	CHF2	difluoromethyl radical	chf2
872	HOClO	Chlorous acid	hoclo
873	CH2F2	Methane, difluoro-	ch2f2
874	CH2FCl	fluorochloromethane	ch2fcl
875	CH2BrF	Methane, bromofluoro-	ch2fbr
876	CH2FI	fluoroiodomethane	ch2fi
877	CH2Br2	dibromomethane	ch2br2
878	CH2ClI	chloroiodomethane	ch2cli
879	CH2BrI	bromoiodomethane	ch2bri
880	CH2I2	Diiodomethane	ch2i2
881	SiH2Cl2	dichlorosilane	sih2cl2
882	CH3MgBr	Methyl Magnesium Bromide	ch3mgbr
883	CH2CHF	Ethene, fluoro-	ch2chf
884	CH2CHF+	fluoroethene cation	ch2chf+
885	C2H3Cl	Ethene, chloro-	ch2chcl
886	C2H3Br	vinyl bromide	c2h3br
887	C2H3I	Vinyl iodide	c2h3i
888	CH3OCl	methyl hypochlorite	ch3ocl
889	C2H5F	fluoroethane	c2h5f
890	CH3CH2Cl	Ethyl chloride	c2h5cl
891	CH3SiFH2	fluoromethylsilane	ch3sifh2
892	C2H5Br	Ethyl bromide	etbr
893	C2H5I	Ethyl iodide	c2h5i
894	KrF2	Krypton difluoride	krf2
895	XeF2	Xenon difluoride	xef2
896	B4H10	Tetraborane(10)	b4h10
897	C4+	Carbon tetramer cation	c4+
898	C4H2	Diacetylene	c4h2
899	C2H3CCH	1-Buten-3-yne	c2h3cch
900	C4H4	cyclobutadiene	cbd
901	H2CCCCH2	Butatriene	h2cccch2
902	C4H6	1-Methylcyclopropene	c3100047
903	C4H6	Cyclobutene	c822355
904	C4H6	Methylenecyclopropane	c6142730
905	CH2CCHCH3	1,2-Butadiene	butad12
906	CH2CHCHCH2	1,3-Butadiene	c106990
907	CH3CCCH3	2-Butyne	c503173
908	CHCCH2CH3	1-Butyne	c107006
909	CH3CHCHCH2	methylallyl radical	c4h7
910	C4H8	methylcyclopropane	mcp
911	CH2C(CH3)CH3	1-Propene, 2-methyl-	isobute
912	CH3CHCHCH3	2-Butene, (E)-	bute2e
913	CH3CHCHCH3	2-Butene, (Z)-	bute2z
914	B(CH3)3	trimethylborane	bme3
915	Al(CH3)3	trimethyl aluminum	tma
916	C(CH3)3	Tert-butyl radical	tbutyl
917	CH2CH(CH3)2	Isobutyl radical	isobutyl
918	CH3CHCH2CH3	2-Butyl radical	butyl2
919	CH3CH(CH3)CH3	Isobutane	isobutane
920	SiH(CH3)3	trimethylsilane	trimsi
921	Li3N	trilithium nitride	li3n
922	C2N2	Cyanogen	c2n2
923	C2N2+	Cyanogen cation	c2n2+
924	P4	Phosphorus tetramer	p4
925	HCCCN	Cyanoacetylene	hcccn
926	C3H3N	acrylonitrile	ch2chcn
927	C3H3N+	acrylonitrile cation	ch2chcn+
928	CH3N3	methyl azide	ch3n3
929	NH2CCNH2	Diaminoacetylene	daa
930	NH2CH2CN	Aminoacetonitrile	aan
931	CH3NHN2+	methyl azide, protonated	ch3nhn2+
932	C2H5CN	ethyl cyanide	c2h5cn
933	CH5N3	Guanidine	guanidine
934	C4H6	Bicyclo[1.1.0]butane	c157335
935	CH3NNCH3	(Z)-1,2-Dimethyldiazene	dmdiazz
936	CH6N3+	guanidinium	ch6n3+
937	C3H7N	Cyclopropylamine	cpram
938	C3H7N	Azetidine	azet
939	C4H8	cyclobutane	cbutane
940	C2H8N2	Ethylenediamine	ethdiam
941	CH3NHNHCH3	dimethyl hydrazine	dmh
942	CH3CH(NH2)CH3	2-Propanamine	pram2
943	N(CH3)3	Trimethylamine	trimeam
944	P(CH3)3	trimethylphosphine	tmp
945	As(CH3)3	trimethyl arsine	tmas
946	(CH3)3NH+	protonated trimethyl amine	ptma
947	C3H7NH3+	n-propylamine, protonated	c3h7nh2
948	Li2O2	dilithium dioxide	li2o2
949	Na2O2	disodium dioxide	na2o2
950	K2O2	dipotassium dioxide	k2o2
951	C3O	Tricarbon monoxide	c3o
952	B2O2	Diboron dioxide	b2o2
953	CO3	Carbon trioxide	co3
954	CO3--	carbonate	co3--
955	NO3	Nitrogen trioxide	no3
956	NO3-	nitrate anion	no3-
957	NO3+	nitrogen trioxide cation	no3+
958	SO3-	Sulfur trioxide anion	so3-
959	SO3--	Sulfate dianion	so3--
960	SO3+	Sulfur trioxide cation	so3+
961	SeO3	selenium trioxide	seo3
962	TeO3	Tellurium trioxide	teo3
963	HCO3-	bicarbonate anion	hco3-
964	HNO3	Nitric acid	hno3
965	HSO3	Hydroxysulfonyl radical	hso3
966	NH2NO2	nitramide	nh2no2
967	C2H2CO	cyclopropenone	c2h2co
968	HCCCHO	2-propynal	hcccho
969	C2H2O2	Ethanedial	c2h2o2
970	C2H2O2+	Ethanedial cation	c2h2o2+
971	H2CO3	Carbonic acid	h2co3
972	H2CS3	thiocarbonic acid	h2cs3
973	H2NO3+	Nitric Acid, Protonated	h2no3+
974	H2SO3	Sulfurous acid	h2so3
975	C2H3NO	Nitrosoethylene	c2h3no
976	CH3COO-	acetate anion	ch3coo-
977	CH3ONO	Methyl nitrite	ch3ono
978	NH2COOH	Carbamic acid	nh2cooh
979	H3BO3	Boric acid	h3bo3
980	H3CO3+	carbonic acid, protonated	h3co3+
981	C3H4O	2-Propyn-1-ol	c107197
982	C3H4O	allenol	c9000071
983	C3H4O	Cyclopropanone	cpone
984	C3H4O	Methylketene	c6004440
985	CH2CHCHO	Acrolein	c3h4o
986	NH2CONH2	Urea	urea
987	NH2CONH2+	Urea cation	urea+
988	NH2CSNH2	Thiourea	thiourea
989	C2H4O2	1,3-dioxetane	c2h4o2
990	CH3COOH	Acetic acid	ch3cooh
991	CH3OCHO	methyl formate	ch3ocho
992	CHOCH2OH	hydroxy acetaldehyde	haa
993	NH2COOH2+	Carbamic acid, O-protonated	nh2cooh2+
994	NH3COOH+	protonated Carbamic acid	nh3cooh+
995	H2OHCOOH	Water formic acid dimer 1	h2ohcooh_10
996	H2OHCOOH	Water formic acid dimer 2	h2ohcooh_11
997	HCOOHH2O	Formic acid water dimer	hcoohh2o
998	HOCH2OOH	hydroxy methyl peroxide	hoch2ooh
999	CH3COCH2	Acetonyl radical	ch3coch2
1000	CH3CHNOH	Acetaldoxime	acetaldoxime
1001	CH3CONH2	Acetamide	acetamide
1002	HCONHCH3	N-methylformamide	nmfa
1003	CH5N2O+	urea, N-protonated	ch4n2o+
1004	H2NCOHNH2+	urea, protonated	ureah+
1005	C2H5OO	ethylperoxy radical	c2h5oo
1006	CH3NNCH3	(E)-1,2-Dimethyldiazene	dmdiaze
1007	C3H5OH	Cyclopropanol	cproh
1008	C3H6O	2-Propen-1-ol	c107186
1009	C3H6O	Oxetane	oxetane
1010	C3H6O	Propylene oxide	prox
1011	CH3COCH3	Acetone	acetone
1012	CH3COCH3-	acetone anion	ch3coch3-
1013	C3H6S	Thietane	thietane
1014	C3H6S	Thiirane, methyl-	methiirane
1015	CH3CSCH3	Thioacetone	ch3csch3
1016	C2H6O2	1,2-Ethanediol	ethdiol
1017	CH3OOCH3	dimethylperoxide	dmp
1018	CH3SOCH3	Dimethyl sulfoxide	dmso
1019	CH2SHCH2SH	1,2-Ethanedithiol	ethdisl
1020	CH3SSCH3	Disulfide, dimethyl	ch3ssch3
1021	CH3COHCH3+	acetone, protonated	acetoneh+
1022	HOCH2CH2NH2	monoethanolamine	mea
1023	C3H7OH	1-Propanol	proh
1024	CH3CHOHCH3	Isopropyl alcohol	isoproh
1025	CH3OC2H5	Ethane, methoxy-	etome
1026	C3H7SH	1-Propanethiol	prsh
1027	CH3CHSHCH3	2-Propanethiol	isoprsh
1028	CH3SCH2CH3	Ethane, (methylthio)-	etsme
1029	H2OCH3OCH3	water dimethylether dimer	h2och3och3
1030	Na2F2	Sodium Fluoride Dimer	na2f2
1031	Na2Cl2	Disodium dichloride	na2cl2
1032	C2F2	difluoroacetylene	c2f2
1033	C2Cl2	dichloroacetylene	c2cl2
1034	C2Cl2+	dichloroacetylene cation	c2cl2+
1035	FNO2	Nitryl fluoride	fno2
1036	FONO	Nitrosyl hypofluorite	fono
1037	ClNO2	Nitryl chloride	clno2
1038	ClONO	chlorine nitrite	clono
1039	BrONO	Bromine nitrite	brono
1040	N2F2	(Z)-Difluorodiazene	n2f2_z
1041	N2F2	Dinitrogen difluoride, (E)-	n2f2_e
1042	CF2O	Carbonic difluoride	f2co
1043	COFCl	Carbonic chloride fluoride	cofcl
1044	CCl2O	Phosgene	cl2co
1045	Cl2CS	Thiophosgene	cl2cs
1046	COBr2	Carbonic dibromide	cobr2
1047	BF3	Borane, trifluoro-	bf3
1048	BF3-	Borane, trifluoro- anion	bf3-
1049	AlF3	Aluminum trifluoride	alf3
1050	BClF2	Chlorodifluoroborane	bclf2
1051	AlF2Cl	Aluminum chloride difluoride	alclf2
1052	ScF3	Scandium trifluoride	ScF3
1053	AlFCl2	Aluminum dichloride fluoride	alcl2f
1054	BCl3+	Boron Trichloride cation	bcl3+
1055	GaF3	Gallium trifluoride	gaf3
1056	AlCl3	Aluminum trichloride	alcl3
1057	GaCl3	Gallium trichloride	gacl3
1058	BBr3	Boron tribromide	bbr3
1059	AlBr3	Aluminum Bromide	albr3
1060	ClO3	Chlorine trioxide	clo3
1061	ClO3-	chlorate anion	clo3-
1062	BrO3-	Bromate anion	bro3-
1063	CF3	Trifluoromethyl radical	cf3
1064	CF3-	Trifluoromethyl anion	cf3-
1065	CF3+	Trifluoromethyl cation	cf3+
1066	SiF3	Silicon trifluoride radical	sif3
1067	SiF3+	Silicon trifluoride cation	sif3+
1068	CCl3	Trichloromethyl radical	ccl3
1069	CCl3-	Trichloromethyl anion	ccl3-
1070	CCl3+	Trichloromethyl cation	ccl3+
1071	SiCl3	trichlorosilyl radical	sicl3
1072	SiCl3+	trichlorosilyl cation	sicl3+
1073	FOOF	Perfluoroperoxide	foof
1074	F2SO	Thionyl Fluoride	f2so
1075	ClOOCl	Dichlorine dioxide	cloocl
1076	FSSF	Difluorodisulfane	fssf
1077	S2F2	Thio-thionyl fluoride	s2f2
1078	SOCl2	thionyl chloride	socl2
1079	SeOCl2	selenium oxychloride	seocl2
1080	NF3	Nitrogen trifluoride	nf3
1081	NF3-	Nitrogen trifluoride anion	nf3-
1082	NF3+	Nitrogen trifluoride cation	nf3+
1083	PF3	Phosphorus trifluoride	pf3
1084	AsF3	Arsenic trifluoride	asf3
1085	PCl3	Phosphorus trichloride	pcl3
1086	SbF3	Antimony Trifluoride	sbf3
1087	AsCl3	Arsenous trichloride	ascl3
1088	SbCl3	Antimony Trichloride	sbcl3
1089	PBr3	Phosphorus tribromide	pbr3
1090	AsBr3	Arsenic tribromide	asbr3
1091	NI3	Nitrogen triiodide	ni3
1092	PI3	Phosphorus triiodide	pi3
1093	ClSSCl	Disulfur dichloride	s2cl2
1094	SF3	Sulfur trifluoride	sf3
1095	ClF3	Chlorine trifluoride	clf3
1096	BrF3	Bromine trifluoride	brf3
1097	IF3	iodone trifluoride	if3
1098	CHF3	Methane, trifluoro-	chf3
1099	CHF2Cl	difluorochloromethane	chf2cl
1100	CHFCl2	fluorodichloromethane	chfcl2
1101	CDCl3	trichloromethane-d	cdcl3
1102	CHCl3	Chloroform	chcl3
1103	CHBrF2	Methane, bromodifluoro-	chbrf2
1104	SiHCl3	Trichlorosilane	sihcl3
1105	CHFClBr	fluorochlorobromomethane	chfclbr
1106	CHF2I	difluoroiodomethane	chf2i
1107	CHFClI	fluorochloroiodomethane	chfcli
1108	CHCl2I	dichloroiodomethane	chcl2i
1109	CHClBr2	Methane, dibromochloro-	chclbr2
1110	CHBr3	bromoform	chbr3
1111	CHI3	Iodoform	chi3
1112	NF3H+	protonated nitrogen trifluoride	nf3h+
1113	C2H2F2	Ethene, 1,2-difluoro-, (E)-	c2h2f2e
1114	C2H2F2	Ethene, 1,2-difluoro-, (Z)-	c2h2f2z
1115	CH2CF2	Ethene, 1,1-difluoro-	ch2cf2
1116	CH2CCl2	Ethene, 1,1-dichloro-	ch2ccl2
1117	CHClCHCl	Ethene, 1,2-dichloro-, (E)-	chclchcle
1118	CHClCHCl	Ethene, 1,2-dichloro-, (Z)-	chclchclz
1119	C2H2Br2	1,1-dibromoethene	c2h2br2
1120	CH2FCHO	Fluoroacetaldehyde	ch2fcho
1121	CH3COF	Acetyl fluoride	ch3cof
1122	CH2ClCHO	chloroacetaldehyde	ch2clcho
1123	CH3COCl	Acetyl Chloride	ch3cocl
1124	CH3CHF2	Ethane, 1,1-difluoro-	ch3chf2
1125	CH2FCH2Cl	Ethane, 1-chloro-2-fluoro-	ch2fch2cl
1126	CH3CHFCl	Ethane, 1-chloro-1-fluoro-	ch3chfcl
1127	CH2ClCH2Cl	Ethane, 1,2-dichloro-	ch2clch2cl
1128	CH3CHCl2	Ethane, 1,1-dichloro-	ch3chcl2
1129	CH2BrCH2Cl	1-bromo-2-chloroethane	ch2brch2cl
1130	CH2BrCH2Br	Ethane, 1,2-dibromo-	ch2brch2br
1131	CH2CFCH3	2-fluoropropene	2fpro
1132	C3H5Cl	1-Propene, 3-chloro-	prop1cl3
1133	C3H5Cl	1-chloro-1-propene(E)	prop1cl1e
1134	C3H5Cl	1-chloro-1-propene(Z)	prop1cl1z
1135	CH2FCH2OH	2-fluoroethanol	ch2fch2oh
1136	CH2ClCH2OH	2-Chloroethanol	ch2clch2oh
1137	CH2ClCH2OH2+	2-chloroethanol, protonated	ch2clch2oh2+
1138	CH2ClCH2CH3	Propane, 1-chloro-	prcl1
1139	CH3CHClCH3	Propane, 2-chloro-	prcl2
1140	CH3CH2CH2Br	n-propyl bromide	prbr
1141	CH3CHBrCH3	i-propyl bromide	iprbr
1142	C3H9O+	trimethyl oxonium cation	c3h9o+
1143	C5H5	cyclopentadienyl radical	c5h5
1144	C5H5-	cylopentadienyl anion	c5h5-
1145	C5H6	1,3-Cyclopentadiene	c542927
1146	C5H6	1-Buten-3-yne, 2-methyl-	c78808
1147	C5H6	3-Penten-1-yne, (E)-	c2004695
1148	C5H6	3-Penten-1-yne, (Z)-	c1574409
1149	C5H6	Bicyclo[2.1.0]pent-2-ene	c5164352
1150	C5H6	Cyclopropylacetylene	c6746947
1151	C5H7	1,3-pentadienyl radical	pdyl
1152	C5H7	cyclopentenyl radical	cpyl
1153	C5H8	1,2-Butadiene, 3-methyl-	c598254
1154	C5H8	1,2-Pentadiene	c591957
1155	C5H8	1,3-Butadiene, 2-methyl-	c78795
1156	C5H8	1,3-Pentadiene, (E)-	c2004708
1157	C5H8	1,3-Pentadiene, (Z)-	c1574410
1158	C5H8	1,4-Pentadiene	c591935
1159	C5H8	1-pentyne	a1pentyne
1160	C5H8	2,3-Pentadiene	c591968
1161	C5H8	Cyclobutane, methylene-	c1120565
1162	C5H8	Cyclopentene	c142290
1163	C5H8	Ethenylcyclopropane	c693867
1164	CH3CCCH2CH3	2-Pentyne	2pentyne
1165	C5H10	1-Butene, 2-methyl-	c563462
1166	C5H10	2-Butene, 2-methyl-	c513359
1167	C5H10	2-Pentene, (E)-	c646048
1168	C5H10	2-Pentene, (Z)-	c627203
1169	C5H10	Cyclopentane	c287923
1170	C5H10	Cyclopropane, 1,1-dimethyl-	c1630940
1171	CH2CHCH2CH2CH3	1-pentene	pentene
1172	C5H11	2-Methylbut-2-yl radical	c4348350
1173	C5H12	Butane, 2-methyl-	buta2
1174	C5H12	Pentane	pentane
1175	C5H12	Propane, 2,2-dimethyl-	neopentane
1176	Si(CH3)4	tetramethylsilane	tms
1177	N2O3	Dinitrogen trioxide	n2o3
1178	C3H2N2	Malononitrile	c3h2n2
1179	CH2N4	1H-Tetrazole	1htz
1180	C3H3N2	imidazolyl radical	im
1181	C3H3N2-	imidizolyl anion	im-
1182	C2H3N3	1H-1,2,4-Triazole	c288880
1183	C4H4N	pyrrolide radical	c4h4n
1184	C4H4N-	pyrrolide anion	c4h4n-
1185	C3H4N2	1H-Imidazole	1himidaz
1186	C3H4N2	1H-Pyrazole	1hpyraz
1187	C3H4N2	4H-Imidazole	imid4h
1188	C4H5N	(E)-2-Butenenitrile	c627269
1189	C4H5N	(Z)-2-Butenenitrile	c1190767
1190	C4H5N	2H-pyrrole	pyrrole2
1191	C4H5N	3H-pyrrole	pyrrole3
1192	C4H5N	Cyclopropanecarbonitrile	c5500210
1193	CH2CHCH2CN	Allylcyanide	ch2chch2cn
1194	C4H6N+	pyrrole, alpha-protonated	appyr
1195	C4H6N+	pyrrole, beta-protonated	bppyr
1196	C4H6N+	pyrrole, protonated	ppyr
1197	C3H6N2	3-Aminopropionitrile	c151188
1198	CH3CH(CH3)CN	Propanenitrile, 2-methyl-	c4h7n
1199	CH3CH2CH2CN	Butanenitrile	c109740
1200	C5H8	Bicyclo[2.1.0]pentane	c185944
1201	C5H8	Spiropentane	c157404
1202	C4H9N	Cyclobutylamine	cbam
1203	C4H9N	Pyrrolidine	pyrrolidine
1204	C3H10N2	1,2-Diaminopropane	diampr12
1205	C(CH3)3NH2	2-Propanamine, 2-methyl-	c75649
1206	C(NH2)H2C(CH3)HCH3	1-Propanamine, 2-methyl-	c78819
1207	C(NH2)H2CH2CH2CH3	1-Butanamine	butam1
1208	CH3C(NH2)HCH2CH3	2-Butanamine	butam2
1209	NH(C2H5)2	diethylamine	dea
1210	NC4H12+	tetramethyl ammonium cation	nc4h12+
1211	C3O2+	Carbon suboxide cation	c3o2+
1212	B2O3	diboron trioxide	b2o3
1213	MgCO3	Magnesium Carbonate	mgco3
1214	BeCO3	Beryllium Carbonate	beco3
1215	CaCO3	Calcium Carbonate	caco3
1216	ONONO	Nitrosyl nitrite	onono
1217	PO4---	phosphate	po4---
1218	SO4--	sulfate	so4--
1219	HOONO2	peroxy nitric acid	hoono2
1220	HSO4-	bisulfate anion	hso4-
1221	C2H2N2S	1,3,4-Thiadiazole	c2h2n2s
1222	C3H2O2	Propiolic acid	c3h2o2
1223	CHOCOOH	oxo acetic acid	oaa
1224	H2SO4	Sulfuric acid	h2so4
1225	H2SeO4	Selenic acid	h2seo4
1226	C3H3NO	Isoxazole	isox
1227	C3H3NO	Oxazole	oxazole
1228	C3H3NS	Thiazole	thiazole
1229	CH3C(O)OO	acetyl peroxy radical	ch3coo2
1230	CH3NO3	Methyl nitrate	ch3no3
1231	H3PO4	Phosphoric Acid	h3po4
1232	C4H4O	Furan	furan
1233	C4H4O+	Furan cation	furan+
1234	C4H4S	Thiophene	furans
1235	C3H4O2	β–Propiolactone	beta
1236	C3H4O2	2-Propenoic acid	propenoic2
1237	C3H4O2	Methyl glyoxal	megly
1238	C3H4O2	propanedial	propanedial
1239	C3H4O2	propenalol	propenalol
1240	HOCHCCHOH	allenediol	aldiol
1241	C2H4O3	1,2,3-trioxolane	c2h4o3
1242	C2H4O3	trioxolane124	triox
1243	HOCH2COOH	Hydroxyacetic acid	hac
1244	CH2CHCONH2	Acrylamide	c79061
1245	CH3OCH2CN	Methoxyacetonitrile	c1738369
1246	CH5N3S	Hydrazinecarbothioamide	c79196
1247	H2NCH2COOH	Glycine	glycine
1248	CH3SO2NH2	methanesulfonamide	ch3so2nh2
1249	C4H6O	cis-2-butenal	butenal2c
1250	C4H6O	Cyclobutanone	cbutone
1251	C4H6O	Furan, 2,3-dihydro-	furan23h
1252	C4H6O	Furan, 2,5-dihydro-	furan25h
1253	CH2CHOCHCH2	Vinyl ether	vinylether
1254	CHOCHCHCH3	2-Butenal	butenal2
1255	C4H6S	Thiophene, 2,3-dihydro-	thiop23h
1256	C4H6S	Thiophene, 2,5-dihydro-	thiop25h
1257	CH2CHSCHCH2	Divinyl sulfide	divis
1258	C2H6N2O	Urea, methyl-	c598505
1259	C3H6O2	1,3-Dioxolane	dioxolane
1260	CH3CH2COOH	Propanoic Acid	propanoic
1261	CH3COOCH3	methyl acetate	aame
1262	CH3SSSCH3	dimethyl trisulfide	c2h6s3
1263	C3H7NO	dimethylformamide	dmf
1264	C3H7NO	Propanamide	propanam
1265	C2H3OC2H5	Ethene, ethoxy-	c109922
1266	C4H8O	Cyclobutanol	c2919235
1267	C4H8O	Furan, tetrahydro-	thf
1268	CH2C(CH3)OCH3	1-Propene, 2-methoxy-	pre1meo2
1269	CH3COCH2CH3	2-Butanone	buta2one
1270	CHOCH(CH3)CH3	Propanal, 2-methyl-	c78842
1271	CHOCH2CH2CH3	Butanal	butanal
1272	C3H8O2	1,3-Propanediol	c504632
1273	C3H8O2	Hydroperoxide, 1-methylethyl	c3031752
1274	C3H8O2	Methane, dimethoxy-	c109875
1275	C3H8O2	Propylene glycol	c57556
1276	C3H8S2	1,3-Propanedithiol	c109808
1277	C4H10O	1-Butanol	butanol1
1278	C4H10O	1-Propanol, 2-methyl-	c78831
1279	C4H10O	2-Butanol, (.+/-.)-	butanol2
1280	C4H10O	Ethanol, 1,1-dimethyl-	tbuoh
1281	C4H10O	Ethoxy ethane	etoet
1282	C4H10O	Propane, 2-methoxy-	c598538
1283	C4H10O+	1-Butanol cation	butanol1+
1284	C2H5SC2H5	Diethyl sulfide	etset
1285	CH2(SH)CH(CH3)CH3	1-Propanethiol, 2-methyl-	c513440
1286	CH3C(SCH3)HCH3	Propane, 2-(methylthio)-	mesipr
1287	CH3CH(SH)CH2CH3	2-Butanethiol	butansl2
1288	FNO3	Fluorine nitrate	fno3
1289	ClONO2	Chlorine nitrate	clono2
1290	BrONO2	Bromine nitrate	brono2
1291	TiCl4	Titanium tetrachloride	ticl4
1292	ClO4-	perchlorate anion	clo4-
1293	BF4-	tetrafluoroboron anion	bf4-
1294	ClFO3	Perchloryl fluoride	clfo3
1295	SO2F2	Sulfuryl fluoride	so2f2
1296	SO2Cl2	Sulfuryl chloride	so2cl2
1297	F3NO	Nitrogen trifluoride oxide	f3no
1298	F3PO	Phosphoryl fluoride	pf3o
1299	Cl3PO	Phosphoryl chloride	pcl3o
1300	CF4	Carbon tetrafluoride	cf4
1301	CF3Cl	Methane, chlorotrifluoro-	cf3cl
1302	SiF4	Silicon tetrafluoride	sif4
1303	CF2Cl2	difluorodichloromethane	cf2cl2
1304	TiF4	Titanium tetrafluoride	tif4
1305	CFCl3	Trichloromonofluoromethane	cfcl3
1306	GeF4	Germanium tetrafluoride	gef4
1307	CCl4	Carbon tetrachloride	ccl4
1308	CCl4+	Carbon tetrachloride cation	ccl4+
1309	CBrClF2	Methane, bromochlorodifluoro-	cbrclf2
1310	SiCl4	Silane, tetrachloro-	sicl4
1311	CF3I	trifluoroiodomethane	cf3i
1312	CBrCl3	Methane, bromotrichloro-	cbrcl3
1313	CBr2F2	Methane, dibromodifluoro-	cbr2f2
1314	GeCl4	Germanium Tetrachloride	gecl4
1315	CCl3I	trichloroiodomethane	ccl3i
1316	CFBr3	fluorotribromomethane	cfbr3
1317	CFClBrI	fluorochlorobromoiodomethane	cfclbri
1318	CF2I2	difluorodiiodomethane	cf2i2
1319	CBr4	Carbon tetrabromide	cbr4
1320	CCl2I2	dichlorodiiodomethane	ccl2i2
1321	SiBr4	Silicon tetrabromide	sibr4
1322	CBr3I	tribromoiododmethane	cbr3i
1323	GeBr4	Germanium tetrabromide	gebr4
1324	CI4	tetraiodomethane	ci4
1325	SiI4	silicon tetraiodide	sii4
1326	ClOF3	Chlorine trifluoride oxide	clof3
1327	SCl4	Sulfur tetrachloride	scl4
1328	C2HF3	Trifluoroethylene	c2hf3
1329	C2HF3+	Trifluoroethylene cation	c2hf3+
1330	CHClCCl2	Trichloroethylene	chclccl2
1331	CHBrCF2	1-Bromo-2,2-difluoroethylene	chbrcf2
1332	HClO4	perchloric acid	hclo4
1333	HSO3F	Fluorosulfonic acid	hso3f
1334	CF3OH	trifluoromethanol	cf3oh
1335	CHClCCHCl	1,3-dichloroallene	chclcchcl
1336	CHCl2CHO	dichloroacetaldehyde	chcl2cho
1337	PF3CH2	phosphorane, trifluoromethylene-	pf3ch2
1338	CH3CF3	Ethane, 1,1,1-trifluoro-	ch3cf3
1339	CH3CF2Cl	1-Chloro-1,1-Difluoroethane	ch3cf2cl
1340	CH3CFCl2	1,1-Dichloro-1-fluoroethane	ch3cfcl2
1341	CH2ClCHCl2	1,1,2-trichloroethane	ch2clchcl2
1342	CH3CCl3	Ethane, 1,1,1-trichloro-	ch3ccl3
1343	SiCl3CH3	methyltrichlorosilane	sicl3ch3
1344	CH3CBr3	1,1,1-tribromoethane	ch3cbr3
1345	NH3BCl3	Amminetrichloroboron	nh3bcl3
1346	SiH3CCl3	(trichloromethyl)silane	sih3ccl3
1347	CH2CClCHCH2	1,3-Butadiene, 2-chloro-	c4h5cl
1348	C3H5ClO	Oxirane, (chloromethyl)-	c106898
1349	CH2FCH2CH2F	1,3-difluoropropane	ch2fch2ch2f
1350	CH3CF2CH3	2,2-difluoropropane	ch3cf2ch3
1351	CH2ClCH2CH2Cl	1,3-dichloropropane	prdicl13
1352	CH2ClCHClCH3	Propane, 1,2-dichloro-	prdicl12
1353	CHCl2CH2CH3	1,1-dichloropropane	prdicl11
1354	SiCl2(CH3)2	dichlorodimethylsilane	sicl2me2
1355	CH2CClCH2CH3	1-Butene, 2-chloro-	bute1cl2
1356	CH2CHCH2CH2Cl	1-Butene, 4-chloro-	bute1cl4
1357	CH2CHCHClCH3	1-Butene, 3-chloro-	bute1cl3
1358	CH2ClCHCHCH3	2-Butene, 1-chloro-	bute2cl1
1359	CH3CClCHCH3	2-Butene, 2-chloro-, (E)-	bute2cl2e
1360	CH3CClCHCH3	2-Butene, 2-chloro-, (Z)-	bute2cl2z
1361	CHClCHCH2CH3	(E)-1-Chloro-1-butene	bute1cl1
1362	CHClCHCH2CH3	(Z)-1-Chloro-1-butene	bute1cl1z
1363	C4H9F	1-fluorobutane	butaf1
1364	CH3CHFCH2CH3	2-fluorobutane	butaf2
1365	CH2ClCH2CH2CH3	Butane, 1-chloro-	butacl1
1366	CH3CCl(CH3)CH3	Propane, 2-chloro-2-methyl-	procl2me2
1367	CH3CHClCH2CH3	Butane, 2-chloro-	butacl2
1368	XeF4	Xenon tetrafluoride	xef4
1369	CF3PH2	phosphine, (trifluoromethyl)-	cf3ph2
1370	NH3BF3	Amminetrifluoroboron	nh3bf3
1371	C6H2	hexatriyne	c6h2
1372	C6H4	(E)-Hexa-1,5-diyne-3-ene	c6h4e
1373	C6H4	(Z)-Hexa-1,5-diyne-3-ene	c6h4z
1374	C6H4	Benzyne	benzyne
1375	C6H5	phenyl	phenyl
1376	C6H5-	phenyl anion	phenyl-
1377	C6H6	2,4-Hexadiyne	hexadiyne
1378	C6H6	3,4-Dimethylenecyclobutene	cb34m
1379	C6H6	Benzene	benzene
1380	C6H6	Hexa-1,5-diene-3-yne	hdy153
1381	C6H6	Trimethylenecycopropane	tmcp
1382	C6H6+	Benzene cation	c6h6+
1383	C6H7+	benzene, protonated	c6h7+
1384	C6H8	(E)-hexa-1,3,5-triene	c821078
1385	C6H8	(E)-hexa-2,3,4-triene	c59660650
1386	C6H8	(Z)-hexa-1,3,5-triene	hexatri135
1387	C6H8	(Z)-hexa-2,3,4-triene	hetr234c
1388	C6H8	1,3-Cyclohexadiene	cyhexadiene13
1389	C6H8	1,4-Cyclohexadiene	cyhexadiene14
1390	C6H8	3-Methylenecyclopentene	c930267
1391	C6H8	Bicyclo[2.1.1]hex-2-ene	c822413
1392	C6H8	Bicyclo[2.2.0]hex-1(4)-ene	c30830207
1393	C6H8	Bicyclo[3.1.0]hex-2-ene	c694019
1394	C6H10	1,3-Hexadiene, (E)-	hexdi13e
1395	C6H10	1,3-Hexadiene, (Z)-	hexdi13z
1396	C6H10	1,4-Hexadiene, (E)-	hexdi14t
1397	C6H10	1,4-Hexadiene, (Z)-	hexdi14z
1398	C6H10	1,5-Hexadiene	c592427
1399	C6H10	1-Butyne, 3,3-dimethyl-	c917920
1400	C6H10	1-Hexyne	hexyne1
1401	C6H10	2,4-Hexadiene, (E,E)-	hexdi24ee
1402	C6H10	2,4-Hexadiene, (E,Z)-	hexdi24ez
1403	C6H10	2,4-Hexadiene, (Z,Z)-	hexdi24zz
1404	C6H10	2-Hexyne	c764352
1405	C6H10	3-Hexyne	hexyne3
1406	C6H10	cyclohexene	cyclohexene
1407	C6H10	Cyclopentene, 1-methyl-	c693890
1408	C6H10	Cyclopentene, 3-methyl-	c1120623
1409	C6H10	Cyclopentene, 4-methyl-	c1759815
1410	C4H6(CH3)2	1,1-dimethylcyclobutane	dmcb11
1411	C6H12	(1R,2R)-1,2-dimethylcyclobutane	dmcb12t
1412	C6H12	(1r,3r)-1,3-dimethylcyclobutane	dmcb13t
1413	C6H12	(E)-2-Hexene	e2hexene
1414	C6H12	(E)-3-methylpent-2-ene	c616126
1415	C6H12	(E)-hex-3-ene	e3hexene
1416	C6H12	(Z)-3-methylpent-2-ene	c922623
1417	C6H12	(Z)-hex-2-ene	z2hexene
1418	C6H12	(Z)-hex-3-ene	z3hexene
1419	C6H12	2,3-dimethylbut-1-ene	c563780
1420	C6H12	2,3-dimethyl-but-2-ene	tmeet
1421	C6H12	3-methylenepentane	c760214
1422	C6H12	cis-1,2-dimethylcyclobutane	dmcb12c
1423	C6H12	cis-1,3-dimethylcyclobutane	dmcb13c
1424	C6H12	Cyclohexane	cyclohexane
1425	C6H12	Cyclopentane, methyl-	c96377
1426	C6H12	Ethylcyclobutane	c4806615
1427	C6H12	hex-1-ene	hexene1
1428	C6H14	Butane, 2,2-dimethyl-	buta22
1429	C6H14	Butane, 2,3-dimethyl-	buta23
1430	C6H14	Hexane	hexane
1431	C6H14	Pentane, 2-methyl-	penta2
1432	C6H14	Pentane, 3-methyl-	penta3
1433	C4N2	2-Butynedinitrile	c4n2
1434	C4H2N2	Fumaronitrile	c4h2n2
1435	C2H2N4	sym-tetrazine	ttz
1436	C3H3N3	1,3,5-Triazine	triazine135
1437	CH3N5	5-Aminotetrazole	c4418615
1438	C4H4N2	1,3-Diazine	diazine13
1439	C4H4N2	Pyrazine	pyrazine
1440	C4H4N2	Pyridazine	pyridazine
1441	C4H4N2	Succinonitrile	c110612
1442	C2H4N4	1H-Tetrazole, 1-methyl-	c16681779
1443	C2H4N4	1H-Tetrazole, 5-methyl-	c4076362
1444	C2H4N4	2H-Tetrazole, 2-methyl-	c16681780
1445	C5H5N	Bicyclo[1.1.0]butane-1-carbonitrile	bibucn
1446	C5H5N	E-2,4-pentadienenitrile	bdcn
1447	C5H5N	Pyridine	pyridine
1448	B3N3H6	borazine	borazine
1449	C6H6	Fulvene	fulvene
1450	C5H6N+	Pyridinium	c5h6n
1451	C4H6N2	1H-Imidazole, 2-methyl-	c693981
1452	C5H7N	(E)-2-Pentenenitrile	c26294984
1453	C5H7N	(E)-3-Pentenenitrile	c16529661
1454	C5H7N	(Z)-2-Pentenenitrile	c25899507
1455	C5H7N	1H-Pyrrole, 1-methyl-	c96548
1456	C5H7N	Cyclobutanecarbonitrile	c4426113
1457	C5H9N	1,2,3,6-Tetrahydropyridine	c694053
1458	C5H9N	Butanenitrile, 2-methyl-	c18936179
1459	C5H9N	Pentanenitrile	c110598
1460	C5H9N	Propanenitrile, 2,2-dimethyl-	c630182
1461	C6H10	Bicyclo[3.1.0]hexane	c285585
1462	C5H11N	Cyclopentanamine	cypentam
1463	C5H11N	Piperidine	piper
1464	C4H12N2	1,2-Butanediamine	c4426486
1465	C4H12N2	2-Methyl-1,2-propanediamine	c811938
1466	Li2CO3	Lithium Carbonate	li2co3
1467	Na2CO3	Sodium Carbonate	na2co3
1468	C2O4--	oxalate anion	c2o4
1469	MgSO4	Magnesium Sulfate	mgso4
1470	N2O4	Dinitrogen tetroxide	n2o4
1471	C2H2O4	Oxalic Acid	oxalic
1472	C2H3NO3	Oxamic acid	oxamic
1473	C4H4O2	2(5H)-Furanone	furanone
1474	C4H4O2	2-Oxetanone, 4-methylene-	c674828
1475	C2H4N2O2	Oxalamide	oxalamide
1476	C2H4N2S2	Ethanedithioamide	c79403
1477	C2H4CO3	Ethylene carbonate	etco3
1478	C3H4O2S	2H-Thiete-1,1-dioxide	c7285327
1479	C3H4S3	1,3-Dithiolane-2-thione	c822388
1480	C2H4O4	Formic acid dimer	fadimer
1481	C4H5NO	3-Methylisoxazole	isox3m
1482	C4H5NO	Isoxazole, 5-methyl-	c5765446
1483	C4H5NS	4-Methylthiazole	c693958
1484	C2H5NO3	Nitric acid, ethyl ester	c625581
1485	C5H6O	2-methylfuran	furan2m
1486	C5H6O	3-Methylfuran	furan3m
1487	C5H6S	Thiophene, 2-methyl-	c554143
1488	C5H6S	Thiophene, 3-methyl-	c616444
1489	C4H6O2	2,3-Butanedione	c431038
1490	C4H6O2	2-Propenoic acid, methyl ester	c96333
1491	C4H6O2	Crotonic Acid	crot
1492	C4H6OS	2,3-dihydrothiophene-2-ol	c9000117
1493	C4H6OS	2,5-dihydrothiophene-3-ol	c9000093
1494	C4H6OS	4,5-dihydrothiophene-2-ol	c9000106
1495	C4H6OS	4,5-dihydrothiophene-3-ol	c9000082
1496	C4H6OS	Dihydro-2-(3H)-thiophenone	c1003107
1497	C4H6OS	Dihydro-3-(2H)-thiophenone	c1003049
1498	C4H6OS	Vinyl sulfoxide	c1115157
1499	CH6N4S	Carbonothioic dihydrazide	thiacarb
1500	C2H6N2O2	(E)-Azodioxymethane	c37765154
1501	C2H6N2O2	Dimethylnitroamine	c4164287
1502	C3H6S3	1,3,5-Trithiane	c3h6s3
1503	C3H6S3	Carbonotrithioic acid, dimethyl ester	c2314489
1504	C2H6O3S	Sulfurous acid, dimethyl ester	c616422
1505	C4H7NO	2-Pyrrolidinone	c616455
1506	C4H7NO	Ethoxyacetonitrile	etoaccn
1507	C4H7NO	Methacrylamide	c79390
1508	C4H7NO	Oxazole, 4,5-dihydro-2-methyl-	c1120645
1509	HCONH2CN2H4	formamide aminomethanimine dimer	d13
1510	C3H7ONO	Propyl nitrite	prono
1511	CH3CH(CH3)ONO	Isopropyl nitrite	c541424
1512	CH3CH(NH2)COOH	Alanine	alanine
1513	CH3NHCH2COOH	Sarcosine	sarcosine
1514	NH2CH2CH2COOH	β–alanine	betaalanine
1515	NH2COOC2H5	Urethane	urethane
1516	C5H8O	2H-Pyran, 3,4-dihydro-	c110872
1517	C5H8O	Cyclopentanone	c120923
1518	C5H8O	Furan, 2,3-dihydro-5-methyl-	c1487156
1519	C5H8O	Methyl cyclopropyl ketone	c765435
1520	N(CH3)2CONH2	Urea, N,N-dimethyl-	c598947
1521	NH(CH3)CONH(CH3)	Urea, N,N'-dimethyl-	c96311
1522	NH2CONHC2H5	Urea, ethyl-	c625525
1523	C4H8O2	1,3-Dioxane	dioxan13
1524	C4H8O2	1,3-Dioxolane, 2-methyl-	c497267
1525	C4H8O2	1,4-Dioxane	dioxan14
1526	C4H8O2	Ethene, 1,1-dimethoxy-	c922690
1527	C4H8O2	Ethyl acetate	c141786
1528	C4H8OS	s-Ethyl thioacetate	c625605
1529	C3H8O3	1,2,3-Propanetriol	glycerin
1530	C3H8O2S	(Methylsulfonyl)ethane	c594434
1531	C4H9NO	Butanamide	c541355
1532	C4H9NO	Propanamide, 2-methyl-	c563837
1533	C5H10O	2-Butanone, 3-methyl-	c563804
1534	C5H10O	2H-Pyran, tetrahydro-	c142687
1535	C5H10O	2-methylbutyraldehyde	2meba
1536	C5H10O	2-Pentanone	mpk
1537	C5H10O	Cyclopentanol	c96413
1538	C5H10O	Oxetane, 3,3-dimethyl-	c6921353
1539	C5H10O	Pentanal	pal
1540	C5H10S	2H-Thiopyran, tetrahydro-	c1613510
1541	C5H10S	3-Ethylthio-1-propene	c5296628
1542	C5H10S	Cyclopentanethiol	c1679078
1543	C5H10S	Thiophene, tetrahydro-2-methyl-	c1795091
1544	C5H10S	Thiophene, tetrahydro-3-methyl-	c4740005
1545	C4H10O2	1,1-Dimethoxyethane	c534156
1546	C4H10O2	1,3-Butanediol	budiol13
1547	C4H10O2	1,4-Butanediol	budiol14
1548	C4H10O2	Ethane, 1,2-dimethoxy-	c110714
1549	C4H10OS	Diethyl sulfoxide	c70291
1550	C4H10S2	1,4-Butanedithiol	budisl14
1551	C4H11NO	Diethylhydroxylamine	c3710847
1552	C5H12O	1-Butanol, 2-methyl-	c137326
1553	C5H12O	1-Butanol, 3-methyl-	c123513
1554	C5H12O	1-Pentanol	pentanol1
1555	C5H12O	2-Butanol, 3-methyl-	c598754
1556	C5H12O	2-Pentanol	peol2
1557	C5H12O	3-Pentanol	pentan3ol
1558	C5H12O	Butane, 1-methoxy-	meobu
1559	C5H12O	Propane, 1-ethoxy-	proet
1560	C5H12O	Propane, 2-methoxy-2-methyl-	c1634044
1561	C5H12S	1-Butanethiol, 2-methyl-	c1878188
1562	C5H12S	1-Butanethiol, 3-methyl-	c541311
1563	C5H12S	1-Pentanethiol	c110667
1564	C5H12S	1-Propanethiol, 2,2-dimethyl-	c1679089
1565	C5H12S	2-Butanethiol, 2-methyl-	c1679090
1566	C5H12S	2-Butanethiol, 3-methyl-	c2084186
1567	C5H12S	Butane, 1-(methylthio)-	c628295
1568	C5H12S	Ethyl propyl sulfide	c4110503
1569	C5H12S	Propane, 2-(ethylthio)-	c5145993
1570	C5H12S	Propane, 2-methyl-2-(methylthio)-	c6163640
1571	ClCOClCO	Oxalyl chloride	oxcl
1572	CF3CN	Acetonitrile, trifluoro-	cf3cn
1573	CF3CN+	Acetonitrile, trifluoro- cation	cf3cn+
1574	B2F4	Diboron tetrafluoride	b2f4
1575	B2Cl4	Diboron tetrachloride	b2cl4
1576	C2F4	Tetrafluoroethylene	c2f4
1577	C2F4+	Tetrafluoroethylene cation	c2f4+
1578	C2ClF3	Ethene, chlorotrifluoro-	c2f3cl
1579	CF2CCl2	difluorodichloroethylene	cf2ccl2
1580	CFClCClF	trans-1,2-dichloro-1,2-difluoroethylene	cfclcclf
1581	CFClCFCl	cis-1,2-dichloro-1,2-difluoroethylene	cfclcfcl
1582	C2FCl3	fluorotrichloroethene	c2fcl3
1583	C2Cl4	Tetrachloroethylene	c2cl4
1584	C2Br4	tetrabromoethene	c2br4
1585	CF3OF	Trifluoromethylhypofluorite	cf3of
1586	SOF4	Sulfur tetrafluoride oxide	sof4
1587	PF5	Phosphorus pentafluoride	pf5
1588	AsF5	Arsenic pentafluoride	asf5
1589	PCl5	Phosphorus pentachloride	pcl5
1590	SF5	Sulfur pentafluoride	sf5
1591	SF5+	pentafluoro sulfur cation	sf5+
1592	SbCl5	Antimony pentachloride	sbcl5
1593	BrF5	bromine pentafluoride	brf5
1594	ClF5	chlorinepentafluoride	clf5
1595	IF5	pentafluoroiodine	if5
1596	CF3CHO	trifluoroacetaldehyde	cf3cho
1597	CCl3CHO	trichloroacetaldehyde	ccl3cho
1598	CHFClCHClF	ethane, 1,2-dichloro-1,2-difluoro-	chfclchclf
1599	CF3CH2F	1,1,1,2-tetrafluoroethane	cf3ch2f
1600	CHF2CHF2	1,1,2,2-tetrafluoroethane	chf2chf2
1601	CF3CH2Cl	2,2,2-Trifluoroethyl chloride	cf3ch2cl
1602	CHFClCHFCl	1,2-dichloro-1,2-difluoroethane RR	chfclchfcl
1603	CH2ClCCl3	1,1,1,2-tetrachloroethane	ch2clccl3
1604	CHCl2CHF2	1,1-dichloro-2,2-difluoroethane	c2h2cl2f2
1605	CF3COOH	trifluoroacetic acid	cf3cooh
1606	C4H3ClO	Furan, 2-chloro	fur2cl
1607	C4H3ClO	Furan,3-chloro	fur3cl
1608	C3H5ClO2	Carbonochloridic acid, ethyl ester	c541413
1609	C3H5Cl3	Propane, 1,2,3-trichloro-	prcl135
1610	C4H8Cl2	1,4-Dichlorobutane	c110565
1611	C4H8Cl2	Butane, 1,2-dichloro-	c616217
1612	C4H8Cl2	Butane, 1,3-dichloro-	c1190223
1613	C4H8Cl2	Butane, 2,3-dichloro-, (r*,r*)-(.+/-.)-	c2211678
1614	C4H8Cl2	Butane, 2,3-dichloro-, (r*,s*)-	c4028562
1615	C4H9ClO	1-Chloro-2-ethoxyethane	c628342
1616	C5H11Cl	Pentane, 1-chloro-	pencl1
1617	C4H8O2	Butanoic acid	bua
1618	C6H5CH2	benzyl radical	benzyl
1619	C6H5CH3	toluene	toluene
1620	C7H8	cycloheptatriene	cht
1621	C7H8	Norbornadiene	norbor
1622	C7H8	Quadricyclane	qucy
1623	C7H12	Norbornane	nor
1624	C7H14	cycloheptane	c7h14
1625	C7H16	2-methylhexane	2mhex
1626	C7H16	3-methylhexane	hex3m
1627	C7H16	heptane	heptane
1628	HN=C=C(CN)2	Dicyanoketenimine	c4hn3
1629	C6H7N	2-Methylpyridine	mp
1630	C6H5NH2	aniline	aniline
1631	C6H13N	2-Methylpiperidine	pip2m
1632	C6H13N	cyclohexanamine	cham
1633	C6H15N	triethylamine	tea
1634	N2O5	Dinitrogen pentoxide	n2o5
1635	C4H2O3	Maleic Anhydride	malan
1636	C5H4O2	4-Cyclopentene-1,3-dione	cpdio
1637	C5H4O2	furfural	furfural
1638	C6H5O	phenoxy radical	phenoxy
1639	C5H5NO	2(1H)-Pyridinone	c72762006
1640	C5H5NO	2(3H)-Pyridinone	c9000048
1641	C5H5NO	2(5H)-Pyridinone	c9000037
1642	C5H5NO	2-Pyridinol	c109104
1643	C5H5NO	3(2H)-Pyridinone	c9000004
1644	C5H5NO	3(4H)-Pyridinone	c9000026
1645	C5H5NO	3(6H)-Pyridinone	c9000015
1646	C5H5NO	3-Pyridinol	c109002
1647	C5H5NO	4(1H)-Pryidinone	c9000060
1648	C5H5NO	4(3H)-Pryidinone	c9000059
1649	C5H5NO	4-Pyridinol	c626642
1650	C6H5OH	phenol	phenol
1651	C6H6O	2,4-Cyclohexadienone	c24599573
1652	C6H6O	2,5-Cyclohexadienone	c5664335
1653	C6H5SH	Benzenethiol	phsh
1654	HO2CCHNH2CH2OH	Serine	serine
1655	C5H8O2	Acetylacetone	acac
1656	C4H8O2S	Sulfolane	sulfolane
1657	C7H10	Norbornene	norbornene
1658	CH(C2H3)3	trivinyl methane	tvm
1659	C6H10O	cyclohexanone	chexo
1660	C6H12O	hexanal	c6h12o
1661	C3H7OC3H7	di-n-propyl ether	propr
1662	CF3COO-	trifluoro acetate anion	cf3coo-
1663	CF3COF	trifluoroacetyl fluoride	cf3cof
1664	CF3COCl	trifluoroacetyl chloride	cf3cocl
1665	PF6	Hexafluorophosphate neutral	pf6
1666	PF6-	Hexafluorophosphate ion	pf6-
1667	SeF6	Selenium hexafluoride	sef6
1668	SF5Cl	sulfur chloropentafluoride	sf5cl
1669	CF3CHF2	pentafluoroethane	cf3chf2
1670	CF3CHFCl	1,1,1,2-tetrafluorochloroethane	cf3chfcl
1671	CF3CHCl2	1,1-Dichloro-2,2,2-trifluoroethane	cf3chcl2
1672	CHCl2CClF2	Ethane, 1,2,2-trichloro-1,1-difluoro-	chcl2cclf2
1673	CCl3CHCl2	pentachloroethane	ccl3chcl2
1674	C6H5F	Fluorobenzene	bzf
1675	C6H5Cl	chlorobenzene	bzcl
1676	C6H5Br	bromobenzene	bzbr
1677	C8H6	Calicene	calicene
1678	C6H5CCH	phenylacetylene	phac
1679	C8H6	benzocyclobutadiene	bcbd
1680	C8H6	Pentalene	pentalene
1681	C6H5CHCH2	Styrene	styrene
1682	C8H8	cubane	cubane
1683	C8H8	cyclooctatetraene	cot
1684	C6H5CH2CH3	Ethylbenzene	etbz
1685	CH3C6H4CH3	meta-xylene	mxylene
1686	CH3C6H4CH3	paraxylene	pxylene
1687	C8H14	Bicyclo[2.2.2]octane	bico222
1688	C8H16	cyclooctane	cyclooct
1689	(CH3)3CC(CH3)3	tetramethylbutane	tmb
1690	C8H18	Octane	c8h18
1691	C6H5CN	phenyl cyanide	phcn
1692	C6H12N2	Triethylenediamine	ted
1693	C4O4--	squarate dianion	c4o4--
1694	S8	Octasulfur	s8
1695	C6H4O2	parabenzoquinone	pbq
1696	C4H4N2O2	Uracil	uracil
1697	C6H5CHO	benzaldehyde	benzal
1698	C6H5OCH3	Anisole	anisole
1699	C5H9NO2	Proline	proline
1700	C6H12O2	Methyl pivalate	c598981
1701	C6H12O2	Hexanoic acid	hexa
1702	C4F4	tetrafluorcyclobutadiene	c4f4
1703	Al2Cl6	Aluminum, di-μ-chlorotetrachlorodi-	al2cl6
1704	CF3CF2Cl	pentafluorochloroethane	cf3cf2cl
1705	CF2ClCF2Cl	1,2-Dichloro-1,1,2,2-tetrafluoroethane	cf2clcf2cl
1706	CF3CFCl2	1,1-Dichlorotetrafluoroethane	cf3cfcl2
1707	CF2ClCFCl2	Ethane, 1,1,2-trichloro-1,2,2-trifluoro-	cf2clcfcl2
1708	CF3CCl3	1,1,1-trifluoro-2,2,2-trichloroethane	cf3ccl3
1709	C2F6	hexafluoroethane	c2f6
1710	C2Cl6	hexachloroethane	c2cl6
1711	IF7	Iodine heptafluoride	if7
1712	C6H4F2	metadifluorobenzene	mdfb
1713	C6H4F2	orthodifluorobenzene	odfb
1714	C6H4F2	1,4-difluorobenzene	pdfb
1715	C6H4Cl2	1,2-dichlorobenzene	dcb12
1716	C6H4Cl2	1,3-dichlorobenzene	dcb13
1717	C9H8	Indene	indene
1718	C9H8	spiro[4.4]nona-1,3,6,8-tetraene	snt
1719	C9H12	n-propyl benzene	prbz
1720	C9H20	Nonane	nonane
1721	C(CN)4	tetracyanomethane	c5n4
1722	C5H4N4	purine	purine
1723	C8H7N	Indole	indole
1724	C3H3N3O3	cyanuric acid	cyanuric
1725	C6H5NO2	Nitrobenzene	c6h5no2
1726	C6H5COOH	benzoic acid	benzo
1727	CH3COC6H5	acetophenone	acph
1728	C3Cl3N3	1,3,5-Triazine, 2,4,6-trichloro-	c3cl3n3
1729	C6H3F3	Benzene trifluoride 123	bzf3a
1730	C10H8	Azulene	azu
1731	C10H8	naphthalene	naph
1732	C10H10	bullvalene	bullv
1733	C10H16	adamantane	adamantane
1734	C6N4	Tetracyanoethylene	tcne
1735	C6N4-	tetracyanoethylene anion	tcne-
1736	C10H22	Decane	decane
1737	C4F6	perfluorobutadiene	c4f6
1738	SF5CF3	Sulfur, pentafluoro(trifluoromethyl)-	sf5cf3
1739	C3F8	perfluoropropane	c3f8
1740	Fe(CO)5	Iron pentacarbonyl	ipc
1741	Fe(C5H5)2	ferrocene	fecp2
1742	B12H12--	Dodecahydrododecaborate(2-)	b12h12--
1743	B12H12--	Dodecahydrododecaborate(2-)	b12h12--
1744	C12H8	Acenaphthylene	acenaph
1745	C12H8	biphenylene	biph
1746	C12H10	biphenyl	biphenyl
1747	C12H10	Heptalene	heptalene
1748	C6H12O6	Inositol	inositol
1749	C6F6	hexafluorobenzene	c6f6
1750	S2F10	disulphur decafluoride	s2f10
1751	C13H10	Fluorene	fluorene
1752	C14H10	Anthracene	anth
1753	C14H10	Phenanthrene	phenanthrene
1754	C14H14	Bibenzyl	bibenzyl
1755	C12H10N2	azobenzene	azobenzene
1756	C6H5COC6H5	benzophenone	benzophenone
1757	C16H10	Pyrene	pyrene
1758	C18H12	Tetracene	tetracene
1759	C19H16	Triphenylmethane	tpm
1760	C24H12	Coronene	coronene
1761	C60	Buckminsterfullerene	c60