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 B3PW91 /cc-pV(T+d)Z

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count	Species	Name	State	Conformation
1	D	Deuterium atom	1S	Kh
2	H	Hydrogen atom	1S	Kh
3	H+	Hydrogen atom cation		Kh
4	D2	Deuterium diatomic	1Σg	D∞h
5	H2	Hydrogen diatomic	1Σg	D∞h
6	H2-	hydrogen diatomic anion	2Σu+	D∞h
7	H2+	Hydrogen cation	2Σg+	D∞h
8	HD	Deuterium hydride	1Σg	D∞h
9	H3+	hydrogen trimer cation	1A1'	D3h
10	He	Helium atom	1S	Kh
11	He2+	helium diatomic cation	2Σu	D∞h
12	Na+	Sodium atom cation	1S	Kh
13	LiH-	lithium hydride anion	2Σ	C∞v
14	LiH+	lithium hydride cation	2Σ	C∞v
15	NaH-	sodium hydride anion	2Σ	C∞v
16	NaH+	sodium hydride cation	2Σ	C∞v
17	BeH-	berylium monohydride anion	1Σ	C∞v
18	BeH+	beryllium monohydride cation	1Σ	C∞v
19	MgH-	magnesium monohydride anion	1Σ	C∞v
20	MgH+	magnesium monohydride cation	1Σ	C∞v
21	B	Boron atom	2P	Kh
22	BH	Boron monohydride	1Σ	C∞v
23	BH-	boron monohydride anion	2Π	C∞v
24	BH+	boron monohydride cation	2Σ	C∞v
25	AlH	aluminum monohydride	1Σ	C∞v
26	BH2	boron dihydride	2A1	C2v
27	BH3	boron trihydride	1A1'	D3h
28	BH4-	borohydride anion	1A1	Td
29	C	Carbon atom	3P0	Kh
30	Si	Silicon atom	3P	Kh
31	CH	Methylidyne	2Π1/2	C∞v
32	CH-	methylidyne anion	3Σ	C∞v
33	CH+	Methylidyne cation	1Σ	C∞v
34	CH2	Methylene	3B1	C2v
35	CH2	Methylene	1A1	C2v
36	CH2-	methylene anion	2B1	C2v
37	CH2+	methylene cation	2A1	C2v
38	SiH2	silicon dihydride	1A1	C2v
39	SiH2	silicon dihydride	3B1	C2v
40	CH3	Methyl radical	2A1	D3h
41	CH3-	methyl anion	1A1	C3v
42	SiH3	Silyl radical	2A1	C3v
43	CH4	Methane	1A1	Td
44	SiH4	Silane	1A1	Td
45	P	Phosphorus atom	4S	Kh
46	NH	Imidogen	3Σ-	C∞v
47	NH	Imidogen	1Σ+	C∞v
48	NH-	Imidogen anion	2Π	C∞v
49	NH+	imidogen cation	2Π	C∞v
50	PH	phosphorus monohydride	1Σ+	C∞v
51	ND2	Amidogen-d2	2B1	C2v
52	NH2	Amino radical	2B1	C2v
53	NH2-	amino anion	1A1	C2v
54	ND3	Ammonia-d3	1A1	C3v
55	NH3	Ammonia	1A1	C3v
56	NH3+	ammonia cation	2A2"	D3h
57	PH3	Phosphine	1A1	C3v
58	NH4+	ammonium cation	1A1	Td
59	PH4+	phosphonium cation
60	O	Oxygen atom	3S	Kh
61	S	Sulfur atom	3P	Kh
62	DO	Hydroxyl-d	2Π	C∞v
63	OH	Hydroxyl radical	2Π	C∞v
64	OH-	hydroxide anion	1Σ	C∞v
65	OH+	hydoxyl cation	3Σ	C∞v
66	OH+	hydoxyl cation	1Σ	C∞v
67	HS	Mercapto radical	2Π	C∞v
68	D2O	Deuterium oxide	1A1	C2v
69	H2O	Water	1A1	C2v
70	H2O-	water anion	2A1	C2v
71	H2O+	water cation	2B1	C2v
72	HDO	Water-d1	1A1	C2v
73	H2S	Hydrogen sulfide	1A1	C2v
74	H2S+	Hydrogen sulfide cation	2B1	C2v
75	H3O+	hydronium cation	1A1	C3v
76	H3S+	Sulfonium cation	1A1	C3v
77	F	Fluorine atom	2P	Kh
78	Cl	Chlorine atom	2P	Kh
79	DF	Hydrofluoric acid-d	1Σ	C∞v
80	HF	Hydrogen fluoride	1Σ	C∞v
81	HF-	hydrogen fluoride anion	2Σ	C∞v
82	HF+	hydrogen fluoride cation	2Π	C∞v
83	HCl	Hydrogen chloride	1Σ	C∞v
84	HCl+	hydrogen chloride cation	2Π	C∞v
85	H2F+	dihydrogen fluoride cation	1A1	C2v
86	H2Cl+	dihydrogen monochloride cation	1A1	C2v
87	Ne	Neon atom	1S	Kh
88	NeH+	neon hydrogen cation	1Σ	C∞v
89	Li2-	lithium diatomic anion	2Σu	D∞h
90	NaLi	lithium sodium	1Σ	C∞v
91	NaLi-	lithium sodium anion	2Σ	C∞v
92	NaLi+	lithium sodium cation	2Σ	C∞v
93	Na2-	sodium diatomic anion	2Σu	D∞h
94	Na2+	sodium diatomic cation	2Σg	D∞h
95	Be2-	Beryllium diatomic anion	2Πu	D∞h
96	Be2+	Beryllium diatomic cation	2Σu	D∞h
97	Mg2-	magnesium diatomic anion	2ΠU	D∞h
98	Mg2+	magnesium diatomic cation	2Σu	D∞h
99	B2	Boron diatomic	3Σg	D∞h
100	B2	Boron diatomic	1Σg	D∞h
101	B2	Boron diatomic	5Σu	D∞h
102	B2-	Boron diatomic anion	4Σg	D∞h
103	BAl	Boron Aluminum	3Σ	C∞v
104	B2H6	Diborane	1Ag	D2h
105	BC-	boron monocarbide anion	3Πu	C∞v
106	BC-	boron monocarbide anion	1Σg+	C∞v
107	BC+	boron monocarbide cation	3Σ	C∞v
108	BC+	boron monocarbide cation	1Σ	C∞v
109	AlC	Aluminum carbide	4Σ	C∞v
110	C2	Carbon diatomic	1Σg+	D∞h
111	C2	Carbon diatomic	3Πu	D∞h
112	C2-	carbon diatomic anion	2Σg	D∞h
113	C2+	carbon diatomic cation	2Π	D∞h
114	SiC	silicon monocarbide	3Σ	C∞v
115	SiC	silicon monocarbide	1Σ	C∞v
116	C2H	Ethynyl radical	2Σ	C∞v
117	C2H2	Acetylene	1Σg	D∞h
118	C2H2+	acetylene cation	2Πu	D∞h
119	CCH2	vinylidene	1A1	C2v
120	C2H3	vinyl	2A'	Cs
121	C2H4	Ethylene	1Ag	D2h
122	C2H5	Ethyl radical	2A'	Cs
123	C2H6	Ethane	1A1g	D3d
124	Si2H6	disilane	1Eu	D3d
125	BeN-	Beryllium mononitride anion	1Σ	C∞v
126	BN-	boron nitride anion	2Σ	C∞v
127	BN	boron nitride	3Π	C∞v
128	BN	boron nitride	1Σ	C∞v
129	BN+	boron nitride cation	2Π	C∞v
130	AlN	Aluminum nitride	3Πi	C∞v
131	CN	Cyano radical	2Σ	C∞v
132	CN-	cyanide anion	1Σ	C∞v
133	CN+	Cyano cation	1Σ	C∞v
134	SiP	Silicon monophosphide	2Π	C∞v
135	N2	Nitrogen diatomic	1Σg	D∞h
136	N2-	nitrogen diatomic anion	2Πg	D∞h
137	N2+	diatomic nitrogen cation	2Σg	D∞h
138	P2	Phosphorus diatomic	1Σg	D∞h
139	HNC	hydrogen isocyanide	1Σ	C∞v
140	HCN	Hydrogen cyanide	1Σ	C∞v
141	HCN+	hydrogen cyanide cation	2Π	C∞v
142	NNH	Dinitrogen monohydride	2A'	Cs
143	N2H2	(E)-diazene	1Ag	C2h
144	CH2NH	Methanimine	1A'	Cs
145	CH2PH	Phosphaethene	1A'	Cs
146	CH2NH2+	methyleneamine cation	1A1	C2v
147	N2H4	Hydrazine	1A	C2
148	CH3NH2	methyl amine	1A'	Cs
149	BH3PH3	borane phosphine
150	LiO-	lithium oxide anion	1Σ	C∞v
151	LiO+	lithium oxide cation	3Σ	C∞v
152	LiO+	lithium oxide cation	1Σ	C∞v
153	LiS	Lithium monosulfide	2Π	C∞v
154	NaO-	sodium oxide anion	1Σ	C∞v
155	NaO+	sodium oxide cation	3Σ	C∞v
156	BeO-	Beryllium monoxide anion	2Σ	C∞v
157	BeO+	Beryllium monoxide cation	2Π	C∞v
158	MgO-	magnesium oxide anion	2Σ	C∞v
159	MgO+	magnesium oxide cation	2Π	C∞v
160	CaS	Calcium sulfide	1Σ	C∞v
161	BO	boron monoxide	2Σ	C∞v
162	BO-	boron monoxide anion	1Σ	C∞v
163	BO+	boron monoxide cation	1Σ	C∞v
164	CO	Carbon monoxide	1Σ	C∞v
165	CO-	carbon monoxide anion	2Π	C∞v
166	CO+	carbon monoxide cation	2Σ	C∞v
167	GeO	Germanium monoxide	1Σ	C∞v
168	SiSe	Silicon Monoselenide
169	NO	Nitric oxide	2Π	C∞v
170	NO-	nitric oxide anion	3Σ	C∞v
171	NO-	nitric oxide anion	1Δ	C∞v
172	NO+	nitric oxide cation	1Σ	C∞v
173	PO	Phosphorus monoxide	2Π	C∞v
174	PS	phosphorus sulfide	2Σ	C∞v
175	O2	Oxygen diatomic	3Σg	D∞h
176	O2-	oxygen diatomic anion	2Π	D∞h
177	O2+	diatomic oxygen cation	2Πg	D∞h
178	SO	Sulfur monoxide	3Σ	C∞v
179	SO	Sulfur monoxide	1Σ	C∞v
180	S2	Sulfur diatomic	3Σg	D∞h
181	S2+	sulfur diatomic cation	2Π	D∞h
182	Se2	Selenium diatomic	3Σg	D∞h
183	HBO	Boron hydride oxide	1Σ	C∞v
184	HCO	Formyl radical	2A'	Cs
185	HNO	Nitrosyl hydride	1A'	Cs
186	HO2	Hydroperoxy radical	2A"	Cs
187	HSO+	Sulfur Monoxide, S-protonated
188	SOH	Sulfur Hydroxide
189	SOH+	Sulfur Monoxide, protonated
190	H2CO	Formaldehyde	1A1	C2v
191	H2CO+	formaldehyde cation	2B2	C2v
192	H2CS	Thioformaldehyde	1A1	C2v
193	H2CSe	Selenoformaldehyde
194	H2O2	Hydrogen peroxide	1A	C2
195	H2S2	Disulfane	1A	C2
196	H2S2+	hydrogen disulfide cation	2Bg	C2h
197	CH2OH	Hydroxymethyl radical	2A	C1
198	CH2OH+	hydroxymethyl cation	1A'	Cs
199	CH3O	Methoxy radical	2A'	C1
200	H2CSH+	Thioformaldehyde, protonated	1A'	Cs
201	NH2OH	hydroxylamine	1A'	Cs
202	H2POH	Phosphinous acid	1A1'	CS trans
203	H2POH	Phosphinous acid	1A1'	CS cis
204	H3PO	Phosphine oxide	1A1	C3v
205	CH3OH	Methyl alcohol	1A'	Cs
206	CH3SH	Methanethiol	1A'	Cs
207	CH3SH2+	protonated methylsulfide	1A'	Cs
208	LiCl	lithium chloride	1Σ	C∞v
209	NaF-	sodium fluoride anion	2Σ	C∞v
210	NaF+	sodium fluoride cation	2Σ	C∞v
211	LiF-	lithium fluoride anion	2Σ	C∞v
212	LiF+	lithium fluoride cation	2Π	C∞v
213	BeF-	Beryllium monofluoride anion	1Σ	C∞v
214	BeF+	Beryllium monofluoride cation	1Σ	C∞v
215	MgF-	magnesium fluoride anion	1Σ	C∞v
216	MgF+	magnesium fluoride cation	1Σ	C∞v
217	BF	Boron monofluoride	1Σ	C∞v
218	BF-	Boron monofluoride anion	2Π	C∞v
219	BF+	Boron monofluoride cation	2Σ	C∞v
220	AlCl	Aluminum monochloride	1Σ	C∞v
221	CF	Fluoromethylidyne	2Π	C∞v
222	CF-	carbon monofluoride anion	3Σ	C∞v
223	CF-	carbon monofluoride anion	1Σ	C∞v
224	CF+	carbon monofluoride cation	1Σ	C∞v
225	SiF	silicon monofluoride	2Π	C∞v
226	SiF+	silicon monofluoride cation	1Σ	C∞v
227	NF	nitrogen fluoride	3Σ	C∞v
228	NF	nitrogen fluoride	1Σ	C∞v
229	NF-	nitrogen monofluorine anion	2Π	C∞v
230	NF+	nitrogen monofluoirde cation	2Π	C∞v
231	NCl	nitrogen monochloride	3Σ	C∞v
232	FO	Oxygen monofluoride	2Π	C∞v
233	FO-	flourine oxide anion	1Σ	C∞v
234	FO+	fluorine monoxide cation	3Σ	C∞v
235	ClO	Monochlorine monoxide	2Π	C∞v
236	SF	Monosulfur monofluoride	2Π	C∞v
237	SF+	sulfur monofluoride cation	3Σ	C∞v
238	SCl	sulfur monochloride	2Π	C∞v
239	SCl+	sulfur monochloride cation	3Σg	C∞v
240	SBr	Sulfur monobromide radical
241	F2	Fluorine diatomic	1Σg	D∞h
242	F2-	flourine diatomic anion	2Σu	D∞h
243	F2+	flourine diatomic cation	2Πg	D∞h
244	ClF	Chlorine monofluoride	1Σ+	C∞v
245	Cl2-	chlorine diatomic anion	2Σu	D∞h
246	Cl2+	chlorine diatomic cation	2Πg	D∞h
247	HCF	Fluoromethylene	1A'	Cs
248	HOF	Hypofluorous acid	1A'	Cs
249	CH2Cl	chloromethyl radical	2A'	Cs
250	H2F2	Hydrogen fluoride dimer	1Ag	Cs
251	CH3F	Methyl fluoride	1A1	C3v
252	CH3Cl	Methyl chloride	1A1	C3v
253	SiH3Cl	chlorosilane	1A1	C1
254	C3	carbon trimer	1Σg	D∞h
255	C3H3	Propargyl radical	2B1	Cs
256	CH2CCH2	allene	1A1	D2d
257	CH3CCH	propyne	1A'	C3v
258	C3H6	Cyclopropane	1A1'	D3h
259	CH2CHCH3	Propene	1A'	Cs
260	C3H7	n-Propyl radical	2A"	C1
261	C3H8	Propane	1A1	C2v
262	Si3H8	trisilane
263	HN3	hydrogen azide	1A'	Cs
264	CH2NN	diazomethane	1A1	C2v
265	CH3CN	Acetonitrile	1A1	C3v
266	CH3NC	methyl isocyanide	1A1	C3v
267	NHCHNH2	aminomethanimine	1A	C1
268	C2H5N	Aziridine	1A'	C1
269	CH3CH2NH2	Ethylamine	1A'	Cs
270	CH3NHCH3	Dimethylamine	1A'	Cs
271	Li2O	dilithium oxide	1Σg	D∞h
272	Li2S	dilithium sulfide	1ΣG	D∞h
273	Li2S	dilithium sulfide	1A1	C2v
274	BO2	Boron dioxide	2A'	D∞h
275	N2O	Nitrous oxide	1Σ	C∞v
276	NNS	Nitrogen sulfide	1Σ	C∞v
277	CO2	Carbon dioxide	1Σg	D∞h
278	OCS	Carbonyl sulfide	1Σ	C∞v
279	SiS2	Silicon disulfide	1ΣG	D∞h
280	NO2	Nitrogen dioxide	2A1	C2v
281	NSO	sulfinyl amidogen
282	SNO	Nitrogen oxide sulfide
283	O3	Ozone	1A1	Cs
284	SO2	Sulfur dioxide	1A1	C2v
285	S3	Sulfur trimer
286	S3+	Sulfur trimer cation	2B2	C2v
287	HCCO	ketenyl radical	2A"	Cs
288	HCNO	fulminic acid	1Σ	C∞v
289	HNCO	Isocyanic acid	1A'	Cs
290	HOCN	cyanic acid	1A'	Cs
291	HCO2-	formate anion	1A1	C2v
292	HOCO	Hydrocarboxyl radical	1A'	cis
293	HOCO	Hydrocarboxyl radical	1A'	trans
294	HNO2	Nitrous acid	1A'	Cs
295	CH2CO	Ketene	1A1	C2v
296	HCCOH	ethynol	1A'	Cs
297	CH2CS	Thioketene
298	CH2O2	Dioxirane	1A1	C2v
299	HCOOH	Formic acid	1A'	Cs
300	HSSSH	trisulfane	1A	C2
301	HSSSH	trisulfane	1A'	Cs
302	CH3CO	Acetyl radical	2A'	Cs
303	CHONH2	formamide	1A'	Planar
304	CH3OO	methylperoxy radical	2A"	Cs
305	C2H4O	Ethylene oxide	1A1	C2v
306	CH2CHOH	ethenol	1A'	Cs
307	CH3CHO	Acetaldehyde	1A'	Cs
308	C2H4S	Thiirane	1A1	C2v
309	CH3CHS	Thioacetaldehyde	1A'	C1
310	CH3OOH	Methyl peroxide	1A	C1
311	CH3SSH	Hydrogen methyl disulfide
312	CH3CH2OH	Ethanol	1A'	Cs
313	CH3OCH3	Dimethyl ether	1A1	C2v
314	CH3CH2SH	ethanethiol	1A'	Cs
315	FCN	Cyanogen fluoride	1Σ	C∞v
316	FNO	Nitrosyl fluoride	1A'	Cs
317	FNS	Thionitrosyl fluoride	1A'	Cs
318	FSN	Thiazyl fluoride	1A'	Cs
319	OPCl	Phosphorus oxychloride
320	CF2	Difluoromethylene	1A1	D∞h
321	GeCl2	Germanium dichloride	1A1	C2v
322	OClO	Chlorine dioxide	2B1	D∞h
323	ClSO	Sulfur chloride oxide	2A"	Cs
324	NF2	Difluoroamino radical	2B1	C2v
325	FClO	chlorosyl fluoride	1A'	Cs
326	F2O	Difluorine monoxide	1A1	C2v
327	ClOF	Chlorine hypofluorite	1A'	Cs
328	SF2	sulfur difluoride	1A1	C2v
329	SCl2	Sulfur dichloride	1A1	C2v
330	SeCl2	Selenium Dichloride
331	SBr2	Sulfur dibromide
332	SeBr2	Selenium dibromide
333	HCCF	Fluoroacetylene	1Σ	C∞v
334	HFCO	formyl fluoride	1A'	Cs
335	BHF2	Difluoroborane	1A1	C2v
336	CH2F2	Methane, difluoro-	1A1	C2v
337	CH2Cl2	Methylene chloride	1A1	C2v
338	CH2CHF	Ethene, fluoro-	1A'	Cs
339	C2H5F	fluoroethane	1A'	Cs
340	C4	Carbon tetramer	3Σg	D∞h
341	C4H2	Diacetylene	1Σg	D∞h
342	C2H3CCH	1-Buten-3-yne	1A'	C1
343	H2CCCCH2	Butatriene	1Ag	D2h
344	C4H6	1-Methylcyclopropene	1A	C1
345	C4H6	Cyclobutene	1A1	C2v
346	C4H6	Methylenecyclopropane	1A1	C2v
347	CH2CCHCH3	1,2-Butadiene	1A'	C1
348	CH2CHCHCH2	1,3-Butadiene	1Ag	C2h
349	CH3CCCH3	2-Butyne	1A1'	D3h
350	CH2C(CH3)CH3	1-Propene, 2-methyl-	1A1	C2v
351	CH3CHCHCH3	2-Butene, (E)-	1Ag	C2h
352	CH3CHCHCH3	2-Butene, (Z)-	1A1	C2v
353	C(CH3)3	Tert-butyl radical	2A"	C3v
354	CH2CH(CH3)2	Isobutyl radical	2A'	C1
355	CH3CH(CH3)CH3	Isobutane	1A1	C3v
356	CH3CH2CH2CH3	Butane	1Ag	Anti
357	C2N2	Cyanogen	1Σg	D∞h
358	HCCCN	Cyanoacetylene	1Σ	C∞v
359	C3H3N	acrylonitrile	1A'	Cs
360	C3H7N	Cyclopropylamine	1A'	C1
361	C4H8	cyclobutane	1A1	D2d
362	C2H8N2	Ethylenediamine	1Ag	C2h
363	CH3CH(NH2)CH3	2-Propanamine	1A'	Cs
364	N(CH3)3	Trimethylamine	1A1	C3v
365	B2O2	Diboron dioxide	1Σg	D∞h
366	S2N2	Disulfur dinitride	1AG	D2h
367	CO3--	carbonate	1A1'	D3h
368	CS3--	Carbonotrithioate
369	NO3	Nitrogen trioxide	2A1'	all bonds equal
370	SO3	Sulfur trioxide	1A1'	D3h
371	S4	Sulfur tetramer
372	S4	Sulfur tetramer
373	S4	Sulfur tetramer
374	HNO3	Nitric acid	1A'	Cs
375	C2H2O2	Ethanedial	1Ag	C2h
376	CH3COO-	acetate anion	1A'	eclipsed
377	CH3NO2	Methane, nitro-	1A'	Cs
378	CH3ONO	Methyl nitrite	1A'	C1
379	H3AlO3	Aluminum hydroxide
380	C3H4O	allenol	1A'	Cs
381	C3H4O	Cyclopropanone	1A1	C2v
382	CH2CHCHO	Acrolein	1A'	Cs
383	NH2CONH2	Urea	1A	C2
384	CH3COOH	Acetic acid	1A'	Cs
385	CH3OCHO	methyl formate	1A'	Cs
386	CHOCH2OH	hydroxy acetaldehyde	1A'	CS H in
387	CH3CHNOH	Acetaldoxime	1A'	CS trans
388	CH3CONH2	Acetamide	1A'	C1
389	CH3CSNH2	Ethanethioamide
390	C3H6O	Propylene oxide	1A	C1
391	CH3CH2CHO	Propanal	1A'	Cs
392	CH3COCH3	Acetone	1A1	C2v
393	C2H6O2	1,2-Ethanediol	1Ag	C2h
394	C3H7OH	1-Propanol	1A'	Cs
395	CH3CHOHCH3	Isopropyl alcohol	1A	C1
396	CH3OC2H5	Ethane, methoxy-	1A'	Cs
397	C2F2	difluoroacetylene	1Σg	D∞h
398	N2F2	(Z)-Difluorodiazene	1A1	C2v
399	N2F2	Dinitrogen difluoride, (E)-	1Ag	C2h
400	CF2O	Carbonic difluoride	1A1	C2v
401	Cl2CS	Thiophosgene	1A1	C2v
402	BF3	Borane, trifluoro-	1A'	D3h
403	AlF3	Aluminum trifluoride	1A1'	D3h
404	CF3	Trifluoromethyl radical	2A1	C3v
405	ClO2F	Chloryl fluoride	1A'	Cs
406	F2SO	Thionyl Fluoride	1A'	Cs
407	FSSF	Difluorodisulfane	1A	C2
408	S2F2	Thio-thionyl fluoride	1A'	Cs
409	SSCl2	Thiothionyl chloride
410	NF3	Nitrogen trifluoride	1A1	C3v
411	SF3	Sulfur trifluoride	2A'	Cs
412	ClF3	Chlorine trifluoride	1A1'	D3h
413	ClF3	Chlorine trifluoride	1A1	C2v
414	HClO3	Chloric Acid	1A	C1
415	CHF3	Methane, trifluoro-	1A1	C3v
416	C2H2F2	Ethene, 1,2-difluoro-, (Z)-	1A1	C2v
417	CH2CF2	Ethene, 1,1-difluoro-	1A1	C2v
418	CH3COF	Acetyl fluoride	1A'	NULL
419	CH3CHF2	Ethane, 1,1-difluoro-	1A'	Cs
420	C5H5-	cylopentadienyl anion	1A1'	D5h
421	C5H6	1,3-Cyclopentadiene	1A1	C2v
422	C5H6	1-Buten-3-yne, 2-methyl-	1A'	Cs
423	C5H6	3-Penten-1-yne, (E)-	1A'	Cs
424	C5H6	3-Penten-1-yne, (Z)-	1A'	Cs
425	C5H6	Bicyclo[2.1.0]pent-2-ene	1A'	Cs
426	C5H6	Cyclopropylacetylene	1A'	C1
427	C5H8	1,2-Butadiene, 3-methyl-	1A1	C2v
428	C5H8	1,2-Pentadiene	1A'	C1
429	C5H8	1,3-Butadiene, 2-methyl-	1A'	Cs
430	C5H8	1,3-Pentadiene, (E)-	1A'	C1
431	C5H8	1,3-Pentadiene, (Z)-	1A'	Cs
432	C5H8	1,4-Pentadiene	1A	C2
433	C5H8	2,3-Pentadiene	1A	C1
434	C5H8	Cyclobutane, methylene-	1A'	Cs
435	C5H8	Cyclopentene	1A'	Cs
436	C5H10	1-Butene, 2-methyl-	1A	C1
437	C5H10	2-Butene, 2-methyl-	1A'	Cs
438	C5H10	2-Pentene, (E)-	1A'	Cs
439	C5H10	2-Pentene, (Z)-	1A	C1
440	C5H10	Cyclopropane, 1,1-dimethyl-	1A1	C1
441	CH2CHCH2CH2CH3	1-pentene	1A	C1
442	C5H11	2-Methylbut-2-yl radical	1A	C1
443	C5H12	Butane, 2-methyl-	1A	C1
444	C5H12	Pentane	1A1	C2v
445	C5H12	Propane, 2,2-dimethyl-	1A1	Td
446	N2O3	Dinitrogen trioxide	1A'	Cs
447	C3H2N2	Malononitrile	1A1	Cs
448	C3H4N2	1H-Imidazole	1A'	Cs
449	C3H4N2	1H-Pyrazole	1A'	Cs
450	C4H5N	(E)-2-Butenenitrile	1A'	Cs
451	C4H5N	(Z)-2-Butenenitrile	1A'	Cs
452	C4H5N	Cyclopropanecarbonitrile	1A'	Cs
453	C4H5N	Pyrrole	1A1	C2v
454	C3H6N2	3-Aminopropionitrile	1A'	Cs
455	C5H8	Bicyclo[2.1.0]pentane	1A'	Cs
456	C5H8	Spiropentane	1A1	D2d
457	C4H9N	Cyclobutylamine	1A'	Cs
458	C4H9N	Pyrrolidine	1A'	Cs
459	C3H10N2	1,2-Diaminopropane	1A	C1
460	C(CH3)3NH2	2-Propanamine, 2-methyl-	1A	C1
461	C(NH2)H2C(CH3)HCH3	1-Propanamine, 2-methyl-	1A	C1
462	C(NH2)H2CH2CH2CH3	1-Butanamine	1A'	Cs
463	CH3C(NH2)HCH2CH3	2-Butanamine	1A	C1
464	C3O2	Carbon suboxide	1ΣG	D∞h
465	H2SO4	Sulfuric acid	1A	C1
466	C3H3NO	Isoxazole	1A'	Cs
467	CH3NO3	Methyl nitrate	1A'	Cs
468	C4H4O	Furan	1A1	C2
469	C3H4O2	β–Propiolactone	1A'	Cs
470	C3H4O2	2-Propenoic acid	1A'	Cs
471	C3H4O2	propanedial	1A	C1
472	C3H4O2	propenalol	1A'	Cs
473	CH2CHCONH2	Acrylamide	1A	Cs
474	CH3OCH2CN	Methoxyacetonitrile	1A	C1
475	H2NCH2COOH	Glycine	1A'	Cs
476	C4H6O	cis-2-butenal	1A	Cs
477	C4H6O	Cyclobutanone	1A1	C2v
478	C4H6O	Furan, 2,3-dihydro-	1A	C1
479	C4H6O	Furan, 2,5-dihydro-	1A1	Cs
480	CH2CHOCHCH2	Vinyl ether	1A1	C2v
481	CHOCHCHCH3	2-Butenal	1A'	Cs
482	C2H6N2O	Urea, methyl-	1A	C1
483	C3H6O2	1,3-Dioxolane	1A	C1
484	CH3COOCH3	methyl acetate	1A'	Cs
485	C2H6O2S	Dimethyl sulfone	1A1	C2v
486	C3H7NO	Propanamide	1A'	C1
487	C2H3OC2H5	Ethene, ethoxy-	1A	C1
488	C4H8O	Cyclobutanol	1A'	C1
489	CH2C(CH3)OCH3	1-Propene, 2-methoxy-	1A	C1
490	CH3COCH2CH3	2-Butanone	1A	C1
491	CHOCH(CH3)CH3	Propanal, 2-methyl-	1A'	Cs
492	CHOCH2CH2CH3	Butanal	1A'	Cs
493	C3H8O2	1,3-Propanediol	1A1	C1
494	C3H8O2	Hydroperoxide, 1-methylethyl	1A	C1
495	C3H8O2	Methane, dimethoxy-	1A	C2
496	C3H8O2	Methane, dimethoxy-	1A1	C2v
497	C3H8O2	Propylene glycol	1A	C1
498	C4H10O	1-Propanol, 2-methyl-	1A	C1
499	C4H10O	2-Butanol, (.+/-.)-	1A	C1
500	C4H10O	Ethanol, 1,1-dimethyl-	1A	C1
501	C4H10O	Ethoxy ethane	1A1	C2v
502	C4H10O	Propane, 2-methoxy-	1A'	Cs
503	FNO3	Fluorine nitrate	1A'	Cs
504	BF4-	tetrafluoroboron anion	1A1	Td
505	F3NO	Nitrogen trifluoride oxide	1A1	C3v
506	CF4	Carbon tetrafluoride	1A1	Td
507	CF2Cl2	difluorodichloromethane	1A1	C2v
508	SF4	Sulfur tetrafluoride	1A1	C2v
509	C2HF3	Trifluoroethylene	1A'	Cs
510	HClO4	perchloric acid	1A	Cs
511	CH3CF3	Ethane, 1,1,1-trifluoro-	1A1	C3v
512	SiH3CCl3	(trichloromethyl)silane	1A1	C3v
513	C6H4	(E)-Hexa-1,5-diyne-3-ene	1Ag	Cs
514	C6H4	(Z)-Hexa-1,5-diyne-3-ene	1A1	C2v
515	C6H5	phenyl	2A1	C2v
516	C6H6	2,4-Hexadiyne	1A1'	D3h
517	C6H6	Benzene	1A1g	D6h
518	C6H8	(E)-hexa-1,3,5-triene	1Ag	Cs
519	C6H8	(E)-hexa-2,3,4-triene	1A'	C2h
520	C6H8	(Z)-hexa-1,3,5-triene	1A1	C2v
521	C6H8	(Z)-hexa-2,3,4-triene	1A1	C2v
522	C6H8	1,4-Cyclohexadiene	1Ag	C2v
523	C6H8	3-Methylenecyclopentene	1A	C1
524	C6H8	Bicyclo[2.1.1]hex-2-ene	1A1	C2v
525	C6H8	Bicyclo[2.2.0]hex-1(4)-ene	1Ag	D2h
526	C6H8	Bicyclo[3.1.0]hex-2-ene	1A	C1
527	C6H10	1,3-Hexadiene, (E)-	1A'	Cs
528	C6H10	1,3-Hexadiene, (Z)-	1A'	Cs
529	C6H10	1,4-Hexadiene, (E)-	1A	C1
530	C6H10	1,4-Hexadiene, (Z)-	1A	C1
531	C6H10	1-Butyne, 3,3-dimethyl-	1A1	C3v
532	C6H10	1-Hexyne	1A'	Cs
533	C6H10	2,4-Hexadiene, (E,E)-	1Ag	C2h
534	C6H10	2,4-Hexadiene, (E,Z)-	1A'	Cs
535	C6H10	2,4-Hexadiene, (Z,Z)-	1A'	Cs
536	C6H10	2-Hexyne	1A'	C1
537	C6H10	3-Hexyne	1A1	C2v
538	C6H10	cyclohexene	1A	C2
539	C6H10	Cyclopentene, 1-methyl-	1A	C1
540	C6H10	Cyclopentene, 3-methyl-	1A	C1
541	C6H10	Cyclopentene, 4-methyl-	1A	C1
542	C6H12	(E)-3-methylpent-2-ene	1A	C1
543	C6H12	(Z)-3-methylpent-2-ene	1A	C1
544	C6H12	3-methylenepentane	1A	C1
545	C6H12	Cyclohexane	1A1g	Chair
546	C6H12	Cyclopentane, methyl-	1A	C1
547	C6H12	Ethylcyclobutane	1A	C1
548	C6H12	hex-1-ene	1A'	Cs
549	C6H14	Butane, 2,2-dimethyl-	1A'	C1
550	C6H14	Butane, 2,3-dimethyl-	1Ag	C2h
551	C6H14	Hexane	1Ag	C2h
552	C6H14	Pentane, 2-methyl-	1A	C1
553	C6H14	Pentane, 3-methyl-	1A'	Cs
554	C4N2	2-Butynedinitrile	1Σg	D∞h
555	C3H3N3	1,3,5-Triazine	1A1'	D3h
556	CH3N5	5-Aminotetrazole	1A	C1
557	C4H4N2	1,3-Diazine	1A1	C2v
558	C4H4N2	Pyrazine	1Ag	D2h
559	C4H4N2	Pyridazine	1A1	C2v
560	C4H4N2	Succinonitrile	1Ag	C2h
561	C2H4N4	1H-Tetrazole, 1-methyl-	1A'	Cs
562	C2H4N4	1H-Tetrazole, 5-methyl-	1A'	C1
563	C2H4N4	2H-Tetrazole, 2-methyl-	1A	C1
564	C5H5N	Bicyclo[1.1.0]butane-1-carbonitrile	1A'	Cs
565	C5H5N	Pyridine	1A1	C2v
566	C6H6	Fulvene	1A1	C2v
567	C4H6N2	1H-Imidazole, 2-methyl-	1A'	Cs
568	C5H7N	(E)-2-Pentenenitrile	1A'	Cs
569	C5H7N	(E)-3-Pentenenitrile	1A	C1
570	C5H7N	(Z)-2-Pentenenitrile	1A	C1
571	C5H7N	1H-Pyrrole, 1-methyl-	1A	C1
572	C5H7N	Cyclobutanecarbonitrile	1A'	Cs
573	C5H9N	1,2,3,6-Tetrahydropyridine	1A	C1
574	C5H9N	Butanenitrile, 2-methyl-	1A	C1
575	C5H9N	Pentanenitrile	1A'	Cs
576	C5H9N	Propanenitrile, 2,2-dimethyl-	1A1	C1
577	C5H11N	Cyclopentanamine	1A'	Cs
578	C5H11N	Piperidine	1A'	NH equatorial
579	C5H11N	Piperidine	1A'	NH axial
580	C4H12N2	1,2-Butanediamine	1A	C1
581	C4H12N2	2-Methyl-1,2-propanediamine	1A'	C1
582	N2O4	Dinitrogen tetroxide	1Ag	D2d
583	C2H3NO3	Oxamic acid	1A'	H out
584	C4H4O2	2-Oxetanone, 4-methylene-	1A	C1
585	C2H4N2O2	Oxalamide	1Ag	C2h
586	C4H5NO	3-Methylisoxazole	1A	C1
587	C4H5NO	Isoxazole, 5-methyl-	1A	C1
588	C4H6O2	2-Propenoic acid, methyl ester	1A	C1
589	C2H6N2O2	(E)-Azodioxymethane	1Ag	C2h
590	C2H6N2O2	Dimethylnitroamine	1A	C1
591	C3H6O3	1,3,5-Trioxane	1A1	C1
592	C4H7NO	2-Pyrrolidinone	1A	C1
593	C4H7NO	Methacrylamide	1A	C1
594	C4H7NO	Oxazole, 4,5-dihydro-2-methyl-	1A'	C1
595	CH3CH(CH3)ONO	Isopropyl nitrite	1A	C1
596	CH3CH(NH2)COOH	Alanine	1A	C1
597	CH3NHCH2COOH	Sarcosine	1A	C1
598	NH2CH2CH2COOH	β–alanine	1A	C1
599	NH2COOC2H5	Urethane	1A	C1
600	C5H8O	2H-Pyran, 3,4-dihydro-	1A	C1
601	C5H8O	Furan, 2,3-dihydro-5-methyl-	1A	C1
602	N(CH3)2CONH2	Urea, N,N-dimethyl-	1A	C1
603	NH2CONHC2H5	Urea, ethyl-	1A	C1
604	C4H8O2	1,3-Dioxolane, 2-methyl-	1A	C1
605	C4H8O2	1,4-Dioxane	1Ag	C2h
606	C4H8O2	Ethene, 1,1-dimethoxy-	1A1	C2v
607	C3H8O3	1,2,3-Propanetriol	1A	C1
608	C4H9NO	Butanamide	1A	C1
609	C4H9NO	Propanamide, 2-methyl-	1A	C1
610	C5H10O	2-Butanone, 3-methyl-	1A	C1
611	C5H10O	2H-Pyran, tetrahydro-	1A'	C1
612	C5H10O	2-Pentanone	1A	C1
613	C5H10O	3-Pentanone	1A1	C2v
614	C5H10O	Cyclopentanol	1A	C1
615	C5H10O	Oxetane, 3,3-dimethyl-	1A'	Cs
616	C5H10O	Pentanal	1A'	C1
617	C4H10O2	1,1-Dimethoxyethane	1A'	Cs
618	C4H10O2	1,3-Butanediol	1A	C1
619	C4H10O2	1,4-Butanediol	1Ag	C2h
620	C4H10O2	Ethane, 1,2-dimethoxy-	1Ag	C2h
621	C4H11NO	Diethylhydroxylamine	1A'	Cs
622	C5H12O	1-Butanol, 2-methyl-	1A	C1
623	C5H12O	1-Butanol, 3-methyl-	1A'	Cs
624	C5H12O	1-Pentanol	1A'	Cs
625	C5H12O	2-Butanol, 3-methyl-	1A	C1
626	C5H12O	2-Pentanol	1A	C1
627	C5H12O	3-Pentanol	1A	C1
628	C5H12O	Butane, 1-methoxy-	1A'	Cs
629	C5H12O	Propane, 1-ethoxy-	1A'	Cs
630	C5H12O	Propane, 2-methoxy-2-methyl-	1A'	C1
631	CF3CN	Acetonitrile, trifluoro-	1A1	C3v
632	B2F4	Diboron tetrafluoride	1A1	D2d
633	B2Cl4	Diboron tetrachloride	1A1	D2
634	C2F4	Tetrafluoroethylene	1Ag	D2h
635	CF3OF	Trifluoromethylhypofluorite	1A'	Cs
636	SiF5-	silicon pentafluoride anion
637	SOF4	Sulfur tetrafluoride oxide	1A1	C2v
638	PF5	Phosphorus pentafluoride	1A1'	D3h
639	CHCl2CHCl2	Ethane, 1,1,2,2-tetrachloro-
640	C6H5CH2	benzyl radical	2B1	Cs
641	C6H5CH3	toluene	1A'	Cs
642	C7H12	Norbornane	1A1	C2v
643	C7H16	2-methylhexane	1A	C1
644	C7H16	heptane	1A1	C2v
645	C6H5OH	phenol	1A'	Cs
646	C6H10O	cyclohexanone	1A'	Cs
647	PF6-	Hexafluorophosphate ion	1A1G	Oh
648	SF5Cl	sulfur chloropentafluoride	1A1	C4v
649	C6H5F	Fluorobenzene	1A1	C2v
650	C6H5CCH	phenylacetylene	1A1	C2v
651	C6H5CHCH2	Styrene	1A'	Cs
652	C8H8	cubane	1A1G	Oh
653	C8H8	cyclooctatetraene	1A1	D2d
654	C6H5CH2CH3	Ethylbenzene	1A'	Cs
655	C6H5CN	phenyl cyanide	1A1	C2v
656	C6H5CHO	benzaldehyde	1A'	Cs
657	C6H5OCH3	Anisole	1A'	Cs
658	Al2Cl6	Aluminum, di-μ-chlorotetrachlorodi-	1AG	D2h
659	C2F6	hexafluoroethane	1A1g	D3d
660	C6H5COOH	benzoic acid	1A'	Cs
661	C10H16	adamantane	1A1	Td
662	C12H10	biphenyl	1A	D2

Species NOT done yet

count	Species	Name	file name	problem
1	D-	Deuterium atom anion	d-
2	D+	Deuterium atom cation	d+
3	H-	Hydrogen atom anion	h-
4	He-	Helium atom anion	he-
5	He+	Helium atom cation	he+
6	HeH	Helium hydride	heh
7	HeH+	Helium hydride cation	heh+
8	Li	Lithium atom	li
9	Li-	Lithium atom anion	li-
10	Li+	Lithium atom cation	li+
11	Na	Sodium atom	na
12	Na-	Sodium atom anion	na-
13	K	Potassium atom	k
14	K-	Potassium atom anion	k-
15	K+	Potassium atom cation	k+
16	Cu	Copper atom	cu
17	Cu-	Copper atom anion	cu-
18	Cu+	Copper atom cation	cu+
19	LiH	Lithium Hydride	lih
20	NaH	sodium hydride	nah
21	KH	Potassium hydride	kh
22	KH+	Potassium hydrogen cation	kh+
23	CuH	Copper monohydride	cuh
24	Be	Beryllium atom	be
25	Be-	Beryllium atom anion	be-
26	Be+	Beryllium atom cation	be+
27	Mg	Magnesium atom	mg
28	Mg-	Magnesium atom anion	mg-
29	Mg+	Magnesium atom cation	mg+
30	Ca	Calcium atom	ca
31	Ca-	Calcium atom anion	ca-
32	Ca+	Calcium atom cation	ca+
33	Zn	Zinc atom	zn
34	Zn-	Zinc atom anion	zn-
35	Zn+	Zinc atom cation	zn+
36	BeH	beryllium monohydride	beh
37	MgH	magnesium monohydride	mgh
38	CaH	Calcium monohydride	cah
39	CaH+	Calcium monohydride cation	cah+
40	TiH	Titanium monohydride	tih
41	ZnH	Zinc monohydride	znh
42	ZnH+	Zinc, protonated	znh+
43	BeH2	beryllium dihydride	beh2
44	BeH2+	Beryllium dihydride cation	beh2+
45	MgH2	magnesium dihydride	mgh2
46	CaH2	Calcium Hydride	cah2
47	ZnH2	Zinc hydride	znh2
48	B-	Boron atom anion	b-
49	B+	Boron atom cation	b+
50	Al	Aluminum atom	al
51	Al-	Aluminum atom anion	al-
52	Al+	Aluminum atom cation	al+
53	Sc	Scandium atom	sc
54	Sc+	Scandium cation	sc+
55	Ga	Gallium atom	ga
56	Ga-	Gallium atom anion	ga-
57	Ga+	Gallium atom cation	ga+
58	AlH-	aluminum monohydride anion	alh-
59	AlH+	aluminum monohydride cation	alh+
60	ScH	Scandium monohydride	sch
61	ScH+	Scandium monohydride cation	sch+
62	GaH	Gallium monohydride	gah
63	GaH+	Gallium monohydride cation	gah+
64	BH2-	boron dihydride anion	bh2-
65	BH2+	Boron dihydride cation	bh2+
66	AlH2	aluminum dihydride	alh2
67	AlH2-	aluminum dihydride anion	alh2-
68	AlH2+	aluminum dihydride cation	alh2+
69	BH3-	boron trihydride anion	bh3-
70	BH3+	boron trihydride cation	bh3+
71	AlH3	aluminum trihydride	alh3
72	AlH3-	aluminum trihydride anion	alh3-
73	AlH3+	aluminum trihydride cation	alh3+
74	ScH3	Scandium trihydride	sch3
75	GaH3	Gallium trihydride	gah3
76	BH4	borohydride	bh4
77	AlH4-	Aluminum tetrahydride anion	alh4-
78	C-	Carbon atom anion	c-
79	C+	Carbon atom cation	c+
80	Si-	Silicon atom anion	si-
81	Si+	Silicon atom cation	si+
82	Ti	Titanium atom	ti
83	Ti-	Titanium atom anion	ti-
84	Ti+	Titanium atom cation	ti+
85	Ge	Germanium atom	ge
86	Ge-	Germanium anion	ge-
87	Ge+	Germanium cation	ge+
88	Sn	Tin atom	sn
89	Sn+	Tin cation	sn+
90	SiH	Silylidyne	sih
91	SiH-	silicon monohydride anion	sih-
92	SiH+	silicon monohydride cation	sih+
93	GeH	germylidene	geh
94	GeH+	Germaniun monohyrdide cation	geh+
95	SiH2-	silicon dihydride anion	sih2-
96	SiH2+	silicon dihydride cation	sih2+
97	GeH2	germylene	geh2
98	GeH2-	germylene anion	geh2-
99	CH3+	methyl cation	ch3+
100	SiH3-	Silyl anion	sih3-
101	SiH3+	Silyl cation	sih3+
102	GeH3	Germyl radical	geh3
103	GeH3+	germyl cation	geh3+
104	CD4	methane-d4	cd4
105	CH2D2	methane-d2	ch2d2
106	CH3D	methane-d	ch3d
107	CH4-	Methane anion	ch4-
108	CH4+	Methane cation	ch4+
109	CHD3	methane-d3	chd3
110	SiH2D2	silane-d2	sih2d2
111	SiH4+	Silane cation	sih4+
112	GeH4	Germane	geh4
113	SnH4	Stannane	snh4
114	SiH5+	Silane, protonated	sih5+
115	N	Nitrogen atom	n
116	N-	Nitrogen atom anion	n-
117	N+	Nitrogen atom cation	n+
118	P-	Phosphorus atom anion	p-
119	P+	Phosphorus atom cation	p+
120	V	Vanadium atom	v
121	V+	Vanadium atom cation	v+
122	As	Arsenic atomic	as
123	As-	Arsenic anion	as-
124	As+	Arsenic cation	as+
125	Sb	Antimony atom	sb
126	PH	phosphorus monohydride	ph
127	PH-	phosphorus monohydride anion	ph-
128	PH+	phosphorus monohydride cation	ph+
129	AsH	Arsenic monohydride	ash
130	AsH+	Arsenic monohydride cation	ash+
131	SbH	Antimony monohydride	sbh
132	NH2+	Amino cation	nh2+
133	PH2	Phosphino radical	ph2
134	PH2-	Phosphino anion	ph2-
135	PH2+	Phosphino cation	ph2+
136	AsH2	Arsenic dihydride	ash2
137	AsH2+	Arsenic dihydride cation	ash2+
138	NH3-	Ammonia anion	nh3-
139	PH3+	Phosphine cation	ph3+
140	AsH3	Arsine	ash3
141	AsH3+	Arsine cation	ash3+
142	SbH3	Stibine	sbh3
143	AsH4+	Arsonium	ash4+
144	NH4	Ammonium radical	nh4
145	PH4	Phosphoranyl radical	ph4
146	O-	Oxygen atom anion	o-
147	O+	Oxygen atom cation	o+
148	S-	Sulfur atom anion	s-
149	S+	Sulfur atom cation	s+
150	Cr	Chromium atom	cr
151	Se	Selenium atom	se
152	Se-	Selenium atom anion	se-
153	Se+	Selenium atom cation	se+
154	Te	Tellurium atom	te
155	Te+	Tellurium atom cation	te+
156	DS	Mercapto-d	ds
157	HS-	mercapto anion	sh-
158	HS+	sulfur monohydride cation	sh+
159	CrH	Chromium hydride	crh
160	CrH+	Chromium hydride cation	crh+
161	HSe	Selenium monohydride	hse
162	HSe-	selenium monohydride anion	hse-
163	HSe+	selenium monohydride cation	hse+
164	TeH	Telluryl radical	teh
165	D2S	Hydrogen sulfide-d2	d2s
166	H2S-	Hydrogen sulfide anion	h2s-
167	H2Se	Hydrogen selenide	h2se
168	H2Se+	Hydrogen selenide cation	h2se+
169	H2Te	Hydrogen Telluride	h2te
170	H3Se+	Hydrogen Selenide, protonated	h3se+
171	F-	Fluorine atom anion	f-
172	F+	Fluorine atom cation	f+
173	Cl-	Chlorine atom anion	cl-
174	Cl+	Chlorine atom cation	cl+
175	Mn	Manganese atom	mn
176	Br	Bromine atom	br
177	Br-	Bromine atom anion	br-
178	Br+	Bromine atom cation	br+
179	I	Iodine atom	iodine
180	I-	Iodine atom anion	iodine-
181	I+	Iodine atom cation	iodine+
182	DCl	Hydrochloric acid-d	dcl
183	HCl-	hydrogen chloride anion	hcl-
184	HBr	hydrogen bromide	hbr
185	HBr-	hydrogen bromide anion	hbr-
186	HBr+	hydrogen bromide cation	hbr+
187	HI	Hydrogen iodide	hi
188	HI+	Hydrogen iodide cation	hi+
189	H2Br+	protonated hydrogen bromide	h2br+
190	H2I+	Iodonium	h2i+
191	Ne-	Neon atom anion	ne-
192	Ne+	Neon atom cation	ne+
193	Ar	Argon atom	ar
194	Ar-	Argon atom anion	ar-
195	Ar+	Argon atom cation	ar+
196	Fe	Iron atom	fe
197	Kr	Krypton atom	kr
198	Kr+	Krypton cation	kr+
199	Xe	Xenon atom	xe
200	HeLi+	Helium Lithium cation	heli+
201	NeH	neon hydrogen	neh
202	ArH+	Argon hydride cation	arh+
203	KrH+	Protonated Krypton	krh+
204	XeH+	Xenon, protonated	xeh+
205	H2Ar	H2 Ar dimer	h2ar
206	Co	Cobalt atom	cobalt
207	Ni	Nickel atom	ni
208	Li2	Lithium diatomic	li2
209	Li2+	lithium diatomic cation	li2+
210	LiK	Lithium Potassium	lik
211	Na2	Sodium diatomic	na2
212	NaK	Sodium Potassium	nak
213	NaK+	Sodium Potassium diatomic cation	nak+
214	K2	Potassium diatomic	k2
215	Cu2	Copper diatomic	cu2
216	LiBe	Lithium Beryllium	libe
217	LiMg	Lithium magnesium	limg
218	NaBe	Sodium Beryllium	nabe
219	NaMg	Sodium Magnesium	namg
220	Be2	Beryllium diatomic	be2
221	BeMg	Beryllium Magnesium	bemg
222	Mg2	Magnesium diatomic	mg2
223	Ca2	Calcium diatomic	ca2
224	LiB	Lithium boride	lib
225	LiAl	Lithium Aluminum	lial
226	NaAl	Sodium aluminum	naal
227	BeB	Beryllium monoboride	beb
228	B2+	Boron diatomic cation	b2+
229	Al2	Aluminum diatomic	al2
230	Al2-	aluminum diatomic anion	al2-
231	Al2+	aluminum diatomic cation	al2+
232	BGa	Boron Gallium	bga
233	AlGa	Aluminum Gallium	alga
234	Ga2	Gallium diatomic	ga2
235	HBBH	Diborane(2)	hbbh
236	LiBH4	Lithium borohydride	libh4
237	B2H4	Diborane(4) D2d	b2h4
238	HBHHBH	Diborane(4) C2V	hbhhbh
239	B2H6+	Diborane cation	b2h6
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	BSi	Boron silicide	bsi
247	C2+	carbon diatomic cation	c2+
248	SiC-	silicon monocarbide anion	sic-
249	SiC+	silicon monocarbide cation	sic+
250	Si2	Silicon diatomic	si2
251	Si2-	silcon diatomic anion	si2-
252	Si2+	silcon diatomic cation	si2+
253	GeC	Germanium monocarbide	gec
254	SiGe	Silicon Germanium	sige
255	Ge2	Germanium diatomic	ge2
256	C2H-	Ethynyl anion	c2h-
257	C2H+	Ethynyl cation	c2h+
258	ZnCH2	Zinc methylene	znch2
259	H2CC-	vinylidene anion	h2cc-
260	HCCH-	acetylene anion	c2h2-
261	Si2H2	disilyne	si2h2
262	CH3Li	methyl lithium	ch3li
263	CuCH3	monomethyl copper	cuch3
264	ZnCH3	Zinc monomethyl	znch3
265	CH2BH	methyleneborane	ch2bh
266	C2H3-	vinyl anion	c2h3-
267	C2H3+	vinyl cation	c2h3+
268	C2H4-	Ethylene anion	c2h4-
269	C2H4+	Ethylene cation	c2h4+
270	CH3CH	methylmethylene	ch3ch
271	CH2SiH2	silaethylene	ch2sih2
272	Si2H4	Disilene	si2h4
273	CH3BH2	methylborane	ch3bh2
274	C2H5-	Ethyl anion	c2h5-
275	C2H5+	Ethyl cation	c2h5+
276	C2H6+	ethane cation	c2h6+
277	CH3SiH3	methyl silane	ch3sih3
278	GeH3CH3	methyl germane	geh3ch3
279	C2H7+	Ethane, protonated	c2h7+
280	LiN	Lithium Nitride	lin
281	LiN+	Lithium Nitride cation	lin+
282	LiP	Lithium monophosphide	lip
283	BeN	Beryllium mononitride	ben
284	BeN+	Beryllium mononitride cation	ben+
285	MgN	Magnesium Nitride	mgn
286	AlN-	aluminum mononitride anion	aln-
287	AlN+	aluminum mononitride cation	aln+
288	BP	Boron monophosphide	bp
289	AlP	Aluminum monophosphide	alp
290	GaN	Gallium mononitride	gan
291	GaP	Gallium monophosphide	gap
292	GaAs	Gallium arsenide	gaas
293	CP	Carbon monophosphide	cp
294	CP-	carbon monophosphide anion	cp-
295	CP+	carbon monophosphide cation	cp+
296	SiN	Silicon nitride	sin
297	SiN-	silicon mononitride anion	sin-
298	SiN+	silicon mononitride cation	sin+
299	SiP-	Silicon monophosphide anion	sip-
300	SiP+	Silicon monophosphide cation	sip+
301	TiN	Titanium mononitride	tin
302	PN	Phosphorus mononitride	pn
303	PN-	phosphorus nitride anion	pn-
304	PN+	phosphorus nitride cation	pn+
305	P2-	phosphorus diatomic anion	p2-
306	P2+	phosphorus diatomic cation	p2+
307	AsN	Arsenic mononitride	asn
308	AsP	Arsenic monophosphide	asp
309	SbN	Antimony nitride	sbn
310	As2	Arsenic diatomic	as2
311	HNB	hydrogen nitrogen boron	hnb
312	HCN-	Hydrogen cyanide anion	hcn-
313	HNC+	hydrogen isocyanide cation	hnc+
314	HCP	Phosphaethyne	hcp
315	HCP+	Phosphaethyne cation	hcp+
316	NNH+	Dinitrogen monohydride cation	nnh+
317	HPO	Hydrogen phosphorus oxide	hpo
318	HPO+	Hydrogen phosphorus oxide cation	hpo+
319	LiNH2	lithium amide	linh2
320	HBNH	Boranimine	hbnh
321	CNH2	Aminomethylidyne radical	cnh2
322	CNH2+	N-protonated hydrogen isocyanide	cnh2+
323	H2CN	Dihydrogen cyanide radical	h2cn
324	H2CN+	hydrocyanonium cation	h2cn+
325	HCNH	methyleneazane	hcnh
326	HCNH+	N-protonated HCN	hcnh+
327	H2NN	Isodiazene	h2nn
328	N2H2	(Z)-Diazene	n2h2z
329	N2H2+	trans-diazene cation	n2h2+
330	CH2NH+	Methanimine cation	ch2nh+
331	CHNH2	aminomethylene	chnh2
332	CHNH2+	Aminocarbene cation	chnh2+
333	BH2NH2	Boranamine	bh2nh2
334	N2H4+	hydrazine cation	n2h4+
335	P2H4	Diphosphine	p2h4
336	CH3NH2+	methyl amine cation	ch3nh2+
337	CH3PH2	Methyl phosphine	ch3ph2
338	SiH3NH2	Silane, amino	sih3nh2
339	N2H5+	protonated hydrazine	n2h5+
340	BH3NH3	borane ammonia	bh3nh3
341	CH3NH3	methyl ammonium radical	ch3nh3
342	CH3NH3+	protonated methylamine	ch3nh3+
343	CH3PH3+	methyl phosphine, protonated	ch3ph3+
344	NH3NH3	Ammonia Dimer	nh3nh3
345	N2H7+	ammonia ammonium dimer	n2h7+
346	LiO	lithium oxide	lio
347	LiS+	Lithium sulfide cation	lis+
348	NaO	sodium monoxide	nao
349	KO	Potassium monoxide	ko
350	KO+	Potassium monoxide cation	ko+
351	NaS	Sodium sulfide	nas
352	CuO	Copper Monoxide	cuo
353	LiSe	Lithium monoselenide	lise
354	BeO	beryllium oxide	beo
355	BeS	beryllium sulfide	bes
356	MgO	magnesium oxide	mgo
357	CaO	Calcium monoxide	cao
358	MgS	magnesium sulfide	mgs
359	MgS-	magnesium sulfide anion	mgs-
360	MgS+	magnesium sulfide cation	mgs+
361	ZnO	zinc monoxide	zno
362	ZnS	Zinc sulfide	zns
363	BeS-	Beryllium monosulfide anion	bes-
364	BeS+	Beryllium monosulfide cation	bes+
365	AlO	Aluminum monoxide	alo
366	AlO-	Aluminum monoxide anion	alo-
367	AlO+	aluminum monoxide cation	alo+
368	BS	boron sulfide	bs
369	BS-	boron monosulfide anion	bs-
370	BS+	boron monosulfide cation	bs+
371	AlS	Aluminum sulfide	als
372	AlS-	aluminum monosulfide anion	als-
373	AlS+	aluminum monosulfide cation	als+
374	ScO	Scandium monoxide	sco
375	GaO	Gallium monoxide	gao
376	GaS	Gallium monosulfide	gas
377	CS	carbon monosulfide	cs
378	CS-	carbon monosulfide anion	cs-
379	CS+	carbon monosulfide cation	cs+
380	SiO	Silicon monoxide	sio
381	SiO-	silicon monoxide anion	sio-
382	SiO+	silicon monoxide cation	sio+
383	SiS	silicon monosulfide	sis
384	SiS-	silicon monosulfide anion	sis-
385	SiS+	silicon monosulfide cation	sis+
386	TiO	Titanium monoxide	tio
387	CSe	Carbon monoselenide	cse
388	CSe-	Carbon monoselenide anion	cse-
389	CSe+	Carbon monoselenide cation	cse+
390	GeO+	Germanium monoxide cation	geo+
391	GeS	Germanium monosulfide	ges
392	SiSe+	Silicon Monoselenide cation	sise+
393	GeSe	Germanium monoselenide	gese
394	NS	Mononitrogen monosulfide	ns
395	NS-	nitrogen sulfide anion	ns-
396	NS+	nitrogen sulfide cation	ns+
397	PO-	phosphorus monoxide anion	po-
398	PO+	phosphorus monoxide cation	po+
399	PS-	phosphorus monosulfide anion	ps-
400	PS+	phosphorus monosulfide cation	ps+
401	VO	Vanadium monoxide	vo
402	AsO	Arsenic monoxide	aso
403	NSe	Nitrogen monoselenide	nse
404	AsS	Arsenic monosulfide	ass
405	PSe	Phosphorus monoselenide	pse
406	AsSe	Arsenic monoselenide	asse
407	O2--	dioxygen dianion	o2--
408	SO-	sulfur monoxide anion	so-
409	SO+	sulfur monoxide cation	so+
410	S2-	sulfur diatomic anion	s2-
411	SeO	Selenium monoxide	seo
412	SeO-	selenium monoxide anion	seo-
413	SeO+	selenium monoxide cation	seo+
414	SeS	Selenium monosulfide	ses
415	SeS-	selenium monosulfide anion	ses-
416	SeS+	selenium monosulfide cation	ses+
417	TeO	Tellurium monoxide	teo
418	Se2-	selenium diatomic anion	se2-
419	Se2+	selenium diatomic cation	se2+
420	Te2	Tellurium diatomic	te2
421	LiOH	lithium hydroxide	lioh
422	NaOH	sodium hydroxide	naoh
423	KOH	Potassium hydroxide	koh
424	BeOH	beryllium monohydroxide	beoh
425	MgOH	magnesium hydroxide	mgoh
426	CaOH	Calcium monohydroxide	caoh
427	HBS	hydrogen boron sulfide	hbs
428	COH	Hydroxymethylidyne	coh
429	COH+	Carbon Monoxide, protonated	coh+
430	HCO-	formyl anion	hco-
431	HCO+	Formyl cation	hco+
432	HCS	Thioformyl radical	hcs
433	HCS-	Thioformyl anion	hcs-
434	HCS+	Thioformyl cation	hcs+
435	HNO-	Nitrosyl hydride anion	hno-
436	HNO+	Nitrosyl hydride cation	hno+
437	NOH	Hydroxyimidogen	noh
438	NOH+	O-protonated nitric oxide	noh+
439	HNS	Sulfur imide	hns
440	HNS-	Sulfur imide anion	hns-
441	HO2-	Hydroperoxy anion	ho2-
442	HO2+	Hydroperoxy cation	ho2+
443	HS2	Thiosulfeno radical	hs2
444	H2CO-	formaldehyde anion	h2co-
445	HOCH	hydroxycarbene	hoch
446	H2CS-	thioformaldehyde anion	h2cs-
447	H2CS+	thioformaldehyde cation	h2cs+
448	H2NO	nitroxide	h2no
449	H2O2+	Hydrogen peroxide cation	h2o2+
450	H2OO	water oxide	h2oo
451	HOSH	hydrogen thioperoxide	hosh
452	H2Se2	hydrogen diselenide	h2se2
453	CH3O-	methoxy anion	ch3o-
454	CH3O+	Methoxy cation	ch3o+
455	CH3S	thiomethoxy	ch3s
456	NH2OH+	Hydroxylamine cation	nh2oh+
457	NH3O	Ammonia Oxide	nh3o
458	NH2SH	Thiohydroxylamine	nh2sh
459	NH3S	sulfidoazane	nh3s
460	H3O2+	hydrogen peroxide, protonated	h3o2+
461	CH3OH-	Methyl alcohol anion	ch3oh-
462	CH3OH+	Methyl alcohol cation	ch3oh+
463	CH3SH+	Methanethiol cation	ch3sh+
464	SiH3OH	silanol	sih3oh
465	CH3SeH	Methane selenol	ch3seh
466	NH2OH2+	protonated hydroxylamine	nh2oh2+
467	NH3OH+	N-protonated hydroxylamine	nh3oh+
468	H2OH2O	water dimer	h2oh2o
469	CH3OH2+	Methanol, protonated	ch3oh2+
470	H2ONH3	Water Ammonia Dimer	h2onh3
471	H5O2+	Dihydroxonium ion	h5o2+
472	LiF	lithium fluoride	lif
473	LiCl-	lithium chloride anion	licl-
474	LiCl+	lithium chloride cation	licl+
475	NaF	sodium fluoride	naf
476	KF	Potassium Fluoride	kf
477	NaCl	Sodium Chloride	nacl
478	NaCl-	sodium chloride anion	nacl-
479	NaCl+	sodium chloride cation	nacl+
480	KCl	Potassium Chloride	kcl
481	CuF	Copper monofluoride	cuf
482	LiBr	Lithium Bromide	libr
483	LiBr-	lithium bromide anion	libr-
484	LiBr+	lithium bromide cation	libr+
485	CuCl	Copper monochloride	cucl
486	NaBr	Sodium Bromide	nabr
487	NaBr-	sodium bromide anion	nabr-
488	NaBr+	sodium bromide cation	nabr+
489	KBr	Potassium Bromide	kbr
490	LiI	Lithium Iodide	lii
491	NaI	Sodium Iodide	nai
492	KI	Potassium Iodide	ki
493	BeF	Beryllium monofluoride	bef
494	BeCl	beryllium monochloride	becl
495	MgF	Magnesium monofluoride	mgf
496	CaF	Calcium monofluoride	caf
497	MgCl	magnesium monochloride	mgcl
498	MgCl-	magnesium monochloride anion	mgcl-
499	MgCl+	magnesium monochloride cation	mgcl+
500	CaCl	calcium monochloride	cacl
501	TiCl	Titanium Monochloride	ticl
502	ZnF	Zinc monofluoride	znf
503	ZnF-	Zinc monofluoride anion	znf-
504	ZnF+	Zinc monofluoride cation	znf+
505	ZnCl	Zinc monochloride	zncl
506	CaBr	Calcium monobromide	cabr
507	BeCl-	beryllium monochloride anion	becl-
508	BeCl+	beryllium monochloride cation	becl+
509	AlF	Aluminum monofluoride	alf
510	AlF-	Aluminum monofluoride anion	alf-
511	AlF+	Aluminum monofluoride cation	alf+
512	BCl	boron monochloride	bcl
513	BCl-	boron monochloride anion	bcl-
514	BCl+	boron monochloride cation	bcl+
515	AlCl-	aluminum monochloride anion	alcl-
516	AlCl+	aluminum monochloride cation	alcl+
517	ScF	Scandium monofluoride	scf
518	BBr	Boron monobromide	bbr
519	GaF	Gallium monofluoride	gaf
520	GaF+	Gallium monofluoride cation	gaf+
521	AlBr	Aluminum monobromide	albr
522	GaCl	Gallium monochloride	gacl
523	GaCl+	Gallium monochloride cation	gacl+
524	AlI	Aluminum monoiodide	ali
525	GaBr	Gallium monobromide	gabr
526	CCl	carbon monochloride	ccl
527	CCl-	carbon monochloride anion	ccl-
528	CCl+	carbon monochloride cation	ccl+
529	SiF-	silicon monofluoride anion	sif-
530	SiCl	Clorosilylidyne	sicl
531	SiCl-	silicon monochloride anion	sicl-
532	SiCl+	silicon monochloride cation	sicl+
533	CBr	Carbon monobromide	cbr
534	GeF	Germanium monofluoride	gef
535	GeF+	Germanium monofluoride cation	gef+
536	GeCl	Germanium monochloride	gecl
537	GeCl+	Germanium monochloride cation	gecl+
538	SiBr	Silicon monobromide	sibr
539	SiBr+	Silicon monobromide cation	sibr+
540	NCl-	nitrogen monochloride anion	ncl-
541	NCl+	nitrogen monochloride cation	ncl+
542	PF	phosphorus monofluoride	pf
543	PF-	phosphorus monofluoride anion	pf-
544	PF+	phosphorus monofluoride cation	pf+
545	PCl	phosphorus chloride	pcl
546	PCl-	phosphorus monochloride anion	pcl-
547	PCl+	phosphorus monochloride cation	pcl+
548	AsF	Arsenic monofluoride	asf
549	NBr	nitrogen monobromide	nbr
550	AsCl	Arsenic monochloride	ascl
551	PBr	Phosphorus monobromide	pbr
552	SbF	Antimony monofluoride	sbf
553	SbCl	Antimony monochloride	sbcl
554	ClO-	chlorine monoxide anion	clo-
555	ClO+	chlorine monoxide cation	clo+
556	SF-	sulfur monofluoride anion	sf-
557	SCl-	sulfur monochloride anion	scl-
558	BrO	Bromine monoxide	bro
559	BrO-	Bromine monoxide anion	bro-
560	BrO+	Bromine monoxide cation	bro+
561	SeF	Selenium monofluoride	sef
562	SBr+	Sulfur monobromide cation	sbr+
563	SeCl	Selenium monochloride	secl
564	IO	Iodine monoxide	io
565	SeBr	Selenium monobromide	sebr
566	BrCl	Bromine monochloride	brcl
567	ClF-	clorine monofluoride anion	clf-
568	ClF+	clorine monofluoride cation	clf+
569	Cl2	Chlorine diatomic	cl2
570	BrF	Bromine monofluoride	brf
571	BrF-	bromine fluoride anion	brf-
572	BrF+	bromine fluoride cation	brf+
573	BrCl-	bromine chloride anion	brcl-
574	BrCl+	bromine chloride cation	brcl+
575	IF	Iodine monofluoride	if
576	Br2	Bromine diatomic	br2
577	Br2-	bromine diatomic anion	br2-
578	Br2+	bromine diatomic cation	br2+
579	ICl	Iodine monochloride	icl
580	IBr	Iodine monobromide	ibr
581	I2	Iodine diatomic	i2
582	I2+	Iodine diatomic cation	i2+
583	HCCl	Chloromethylene	hccl
584	HSiF	fluorosilylene	hsif
585	HSiCl	Chlorosilylene	hsicl
586	HSiBr	monobromosilylene	hsibr
587	CHBr	bromomethylene	chbr
588	DOCl	Hypochlorous acid-d	docl
589	HOCl	hypochlorous acid	hocl
590	HOCl+	hypochlorous acid cation	hocl+
591	HOBr	Hypobromous acid	hobr
592	HOBr+	Hypobromous acid cation	hobr+
593	HOI	Hypoiodous acid	hoi
594	F2H+	Fluorine, protonated	f2h+
595	FHF	Hydrogen difluoride	fhf
596	FHF-	Hydrogen difluoride anion	fhf-
597	ClFH+	Chlorine fluoride, F-protonated	clfh+
598	FClH+	Chlorine fluoride, Cl-protonated	fclh+
599	Cl2H+	Chlorine, protonated	cl2h+
600	CH2Br	bromomethyl radical	ch2br
601	CH2F	fluoromethyl radical	ch2f
602	CH2F+	fluoromethyl cation	ch2f+
603	CH2Cl+	chloromethyl cation	ch2cl+
604	NH2F	monofluoroamine	nh2f
605	NH2Cl	chloramine	nh2cl
606	CH3F+	methyl fluoride cation	ch3f+
607	CD3F	methylfluoride-d3	cd3f
608	CD3Cl	methyl chloride d3	cd3cl
609	CH3Cl+	Methyl chloride cation	ch3cl+
610	SiH3F	monofluorosilane	sih3f
611	CH3Br	methyl bromide	ch3br
612	GeH3F	monofluorogermane	geh3f
613	GeH3Cl	monochlorogermane	geh3cl
614	SiH3Br	bromosilane	sih3br
615	CH3I	methyl iodide	ch3i
616	SiH3I	Silyl Iodide	sih3i
617	NH3Cl+	protonated monochloroammonia	nh3cl+
618	CH3ClH+	methyl chloride, protonated	ch3clh+
619	NH4Cl	Ammonium chloride	nh4cl
620	LiNe+	Lithium Neon cation	line+
621	Ne2	Neon diatomic	ne2
622	Ne2+	Neon diatomic cation	ne2+
623	Ar2	Argon diatomic	ar2
624	Ar2+	Argon diatomic cation	ar2+
625	Li3	Lithium trimer	li3
626	Li3+	Lithium trimer cation	li3+
627	C3+	carbon trimer cation	c3+
628	SiC2	Silicon dicarbide	sic2
629	C3H3	cyclopropenyl radical	cpr
630	C3H3-	Propargyl anion	c3h3-
631	C3H3+	cyclopropenyl cation	cpr+
632	C3H3+	Propargyl cation	c3h3+
633	C3H4	cyclopropene	cprop
634	C3H5	Allyl radical	allyl
635	C3H5+	Allyl cation	allyl+
636	CH3CHCH	1-propenyl radical	ch3chch
637	Zn(CH3)2	dimethyl zinc	dmz
638	C3H7+	cyclopropane, protonated	c3h7+
639	CH3CHCH3	Isopropyl radical	isopropyl
640	CH3CHCH3+	Isopropyl cation	prop2yl+
641	SiH2(CH3)2	dimethylsilane	dms
642	LiCN	lithium cyanide	licn
643	NaCN	Sodium Cyanide	nacn
644	KCN	Potassium cyanide	kcn
645	CuCN	Copper cyanide	cucn
646	ZnCN	Zinc monocyanide	zncn
647	ZnNC	Zinc isocyanide	znnc
648	AlCN	Aluminum monocyanide	alcn
649	AlNC	Aluminum isocyanide	alnc
650	CN2	3H-Diazirin-3-ylidene	cn2
651	CNN	Diazocarbene	cnn
652	NCN	Cyanoimidogen	ncn
653	N3	azide radical	n3
654	N3-	azide anion	n3-
655	N3+	azide cation	n3+
656	HCCN	cyanomethylene	hccn
657	HCNN	diazomethyl radical	hcnn
658	HN3+	Hydrazoic acid cation	hn3+
659	HNCNH	diiminomethane	hncnh
660	CH2N2	diazirine	ch2n2
661	NH2CN	cyanamide	cyanamide
662	HNNNH+	1,2-Triazadienium	n2h3+
663	NH2NN+	hydrazoic acid, protonated	nh2nn+
664	CH3CN-	acetonitrile anion	ch3cn-
665	CH3CN+	Acetonitrile cation	ch3cn+
666	CHNCH2	2H-Azirine	c157164
667	CHNHCH	1H-Azirine	chnhch
668	H2CCNH	Ethenimine	ch2cnh
669	H2CNCH	methyleneaminomethylene	ch2nch
670	HCCNH2	Ethynamine	hccnh2
671	HCNCH2+	2H-Azirine cation	hcnch2+
672	HNCNH2+	diiminomethane, protonated	hncnh2+
673	NCNH3+	Cyanamide, protonated	ncnh3+
674	NH2CNH+	cyanamide, cn protonated	nh2cnh+
675	NH3CN+	cyanamide, amine protonated	nh3cn+
676	CH2CHNH	vinylazine	ch2chnh
677	CH3CHN	methylmethaniminyl radical	ch3chn
678	CH2CHNH2	aminoethene	aminoethene
679	CH2NCH3	N-methylmethanimine	nmm
680	CH3CHNH	ethanimine	ethanimine
681	NH2BHNH2	diaminoborane	nh2bhnh2
682	C2H5NH+	Protonated Aziridine	c2h5nh+
683	C2H6N+	aziridine, protonated	c2h6n+
684	NH2CH2NH2	diaminomethane	nh2ch2nh2
685	CH3PHCH3	dimethylphosphine	ch3phch3
686	NH2CH2NH3+	diaminoethane, protonated	pdam
687	(CH3)2NH2+	dimethylammonium cation	dmam
688	CH3CH2NH3+	ethylamine, protonated	pea
689	Li2O+	dilithium oxide cation	li2o+
690	Na2O	disodium monoxide	na2o
691	Na2S	Sodium sulfide	na2s
692	LiO2	Lithium dioxide	lio2
693	NaO2	Sodium superoxide	nao2
694	CCO	Dicarbon monoxide	cco
695	CNO-	fulminate	cno-
696	NCO	isocyanato radical	nco
697	NCO-	cyanate	nco-
698	SCN	thiocyanato radical	scn
699	SCN-	thiocyanide anion	scn-
700	BO2-	Boron dioxide anion	bo2-
701	BO2+	Boron dioxide cation	bo2+
702	N2O-	Nitrous oxide anion	n2o-
703	N2O+	Nitrous oxide cation	n2o+
704	PPO	Phosphorus oxide phosphide	ppo
705	CO2-	Carbon dioxide anion	co2-
706	CO2+	Carbon dioxide cation	co2+
707	OCS+	Carbonyl sulfide cation	cos+
708	SiO2	silicon dioxide	sio2
709	CS2	Carbon disulfide	cs2
710	CS2-	Carbon disulfide anion	cs2-
711	CS2+	Carbon disulfide cation	cs2+
712	TiO2	Titanium dioxide	tio2
713	GeO2	Germanium dioxide	geo2
714	OCSe	Carbonyl selenide	ocse
715	SCSe	Carbon sulfide selenide	scse
716	GeS2	Germanium disulfide	ges2
717	CSe2	Carbon diselenide	cse2
718	SCTe	Carbon sulfide Telluride	scte
719	NO2-	Nitrogen dioxide anion	no2-
720	NO2+	Nitrogen dioxide cation	no2+
721	PO2	Phosphorus dioxide	po2
722	PO2-	Phosphorus dioxide anion	po2-
723	PO2+	Phosphorus dioxide cation	po2+
724	AsO2	Aresenic dioxide	aso2
725	O3-	Ozone anion	o3-
726	O3+	Ozone cation	o3+
727	SO2-	Sulfur dioxide anion	so2-
728	SO2+	Sulfur dioxide cation	so2+
729	SSO	Disulfur monoxide	sso
730	S3-	Sulfur trimer anion	s3-
731	SeO2	Selenium dioxide	seo2
732	SeO2+	Selenium dioxide cation	seo2+
733	TeO2	Tellurium Dioxide	teo2
734	CS2H+	Carbon disulfide, protonated	cs2h+
735	HNCS	Isothiocyanic acid	hncs
736	HSCN	thiocyanic acid	hscn
737	HNNO	nitrosoazane	hnno
738	HNNO+	Nitrous oxide, N-protonated	hnno+
739	NNOH+	Nitrous Oxide, O-protonated	nnoh+
740	HCOO	formate neutral radical	hcoo
741	HOCO+	Hydrocarboxyl cation	hoco+
742	HNO2+	nitrous acid cation	hno2+
743	O3H+	protonated ozone	o3h+
744	SO2H+	protonated sulfur dioxide	so2h+
745	C2H2O	Oxirene	oxirene
746	CH2CO+	Ketene cation	ch2co+
747	Be(OH)2	Beryllium hydroxide	beo2h2
748	Mg(OH)2	Magnesium dihydroxide	h2mgo2
749	NH2NO	Nitrosamide	nh2no
750	H2COO	Dioxymethyl radical	h2coo
751	H2COO+	dioxymethyl cation	h2coo+
752	H2O3	Hydrogen trioxide	h2o3
753	NaOCH3	Sodium methoxide	naoch3
754	CH2BOH	hydroxy(methylene)borane	ch2boh
755	BH3CO	Borane carbonyl	bh3co
756	CH3BO	Borane, methyloxo-	ch3bo
757	CH2CHO	Vinyloxy radical	ch2cho
758	CH2COH+	ketene, protonated	ch2coh+
759	CH3CO-	Acetyl anion	ch3co-
760	CH3CO+	acetyl cation	ch3co+
761	CH2NOH	formaldoxime	ch2noh
762	CH3NO	nitrosomethane	ch3no
763	CNOH3	1,2-oxaziridine	cnoh3
764	HOCHNH	hydroxymethylimine	hochnh
765	CHSNH2	thioformamide	chsnh2
766	NHCHSH	Methanimidothioic acid	nhchsh
767	CH2OOH	CH2OOH radical	ch2ooh
768	CH3OO-	methylperoxy anion	ch3oo-
769	CH3OO+	methylperoxy cation	ch3oo+
770	C2H4O+	ethylene oxide cation	c2h4o+
771	CH3CHO+	acetaldehyde cation	ch3cho+
772	H2COCH2+	Methyl, (methyleneoxoniumyl)-	h2coch2+
773	CH2CHSH	Ethenethiol	ch2chsh
774	H2CONH2+	protonated formamide	h2conh2+
775	NH2CHOH+	Formamide, O-protonated	nh2choh+
776	NH3CHO+	Formamide, N-Protonated	nh3cho+
777	CH2(OH)2	methanediol	ch2o2h2
778	HSCH2SH	Methanedithiol	ch4s2
779	H2OH2CO	water formaldehyde dimer	h2oh2co
780	C2H4OH+	ethylene oxide, protonated	c2h4oh+
781	CH2CH2OH	2-hydroxy ethyl radical	ch2ch2oh
782	CH3CH2O	Ethoxy radical	ethoxy
783	CH3CHOH	1-hydroxy-ethyl radical	ch3choh
784	CH3CHOH+	acetaldehyde, protonated	ch3choh+
785	CH3OCH2	methoxymethyl radical	ch3och2
786	NH2CH2OH	aminomethanol	nh2ch2oh
787	CH3SCH3	Dimethyl sulfide	mesme
788	CH3SCH3+	dimethyl sulfide cation	mesme+
789	CH3SeCH3	dimethylselenide	dmse
790	CH3OHH2O	methanol water dimer	ch3ohh2o
791	H2OCH3OH	water methanol dimer	h2och3oh
792	CuF2	Copper difluoride	cuf2
793	ZnF2	Zinc difluoride	znf2
794	CNF	iso cyanogen fluoride	cnf
795	ClCN	chlorocyanogen	clcn
796	BrCN	Cyanogen bromide	brcn
797	ICN	Cyanogen iodide	icn
798	FBO	Boron monofluoride monoxide	fbo
799	BeF2	Beryllium fluoride	bef2
800	MgF2	Magnesium fluoride	mgf2
801	BeCl2	Beryllium chloride	becl2
802	MgCl2	Magnesium dichloride	mgcl2
803	CaCl2	Calcium Chloride	cacl2
804	ZnCl2	Zinc dichloride	zncl2
805	BeBr2	Beryllium bromide	bebr2
806	CaBr2	Calcium dibromide	cabr2
807	CaF2	Calcium difluoride	caf2
808	FCO	Carbonyl fluoride	fco
809	FCO+	Carbonyl fluoride cation	fco+
810	ClCO	carbonyl monochloride	clco
811	BF2	Boron difluoride radical	bf2
812	ClNO	Nitrosyl chloride	clno
813	BrNO	Nitrosyl bromide	brno
814	INO	Nitrosyl iodide	ino
815	CF2-	Difluoromethylene anion	cf2-
816	CF2+	Difluoromethylene cation	cf2+
817	CFCl	chlorofluoromethylene	cfcl
818	SiF2	Silicon difluoride	sif2
819	SiF2+	Silicon difluoride cation	sif2+
820	CCl2	dichloromethylene	ccl2
821	CCl2-	dichloromethylene anion	ccl2-
822	CCl2+	dichloromethylene cation	ccl2+
823	SiCl2	Dichlorosilylene	sicl2
824	GeF2	Germanium difluoride	gef2
825	CBr2	dibromomethylene	cbr2
826	FOO	Dioxygen monofluoride radical	foo
827	FOO+	Fluorine dioxide cation	foo+
828	ClOO	chloroperoxy radical	cloo
829	ClOO+	chloroperoxy cation	cloo+
830	OClO-	Chlorine dioxide anion	oclo-
831	OClO+	Chlorine dioxide cation	oclo+
832	ClS2	Sulfur chloride	cls2
833	BrOO	Bromine dioxide	broo
834	OBrO	Bromine dioxide radical	obro
835	NF2+	Difluoroamino cation	nf2+
836	PF2	Phosphorus difluoride	pf2
837	PF2+	Phosphorus difluoride cation	pf2+
838	SF2-	sulfur difluoride anion	sf2-
839	SF2+	sulfur difluoride cation	sf2+
840	Cl2O	Dichlorine monoxide	cl2o
841	SeF2	Selenium difluoride	sef2
842	BrOCl	Bromine hypochlorite	brocl
843	BrOBr	Bromine oxide	brobr
844	F3-	trifluoride anion	f3-
845	Cl3-	trichloride anion	cl3-
846	Br3-	tribromide anion	br3-
847	I3-	triiodide	i3-
848	SFCl	Sulfur chloride fluoride	sfcl
849	HCCF+	fluoroacetylene cation	hccf+
850	HCCCl	Chloroacetylene	hcccl
851	HCCBr	bromoacetylene	hccbr
852	HFCO+	formyl fluoride cation	hfco+
853	COHCl	Formyl chloride	cohcl
854	COHBr	Formyl bromide	cohbr
855	BHCl2	Borane, dichloro-	bhcl2
856	CHCl2	dichloromethyl radical	chcl2
857	CHF2	difluoromethyl radical	chf2
858	CHF2+	difluoromethyl cation	chf2+
859	CHFCl	Chlorofluoromethyl radical	chfcl
860	CHFCl+	Chlorofluoromethyl cation	chfcl+
861	CHCl2+	dichloromethyl cation	chcl2+
862	CHBr2	dibromomethyl radical	chbr2
863	HOClO	Chlorous acid	hoclo
864	NHF2	difluoramine	nhf2
865	NHCl2	dichloroamine	nhcl2
866	CH2FCl	fluorochloromethane	ch2fcl
867	SiH2F2	difluorosilane	sih2f2
868	CH2BrF	Methane, bromofluoro-	ch2fbr
869	CH2BrCl	Methane, bromochloro-	ch2clbr
870	CH2FI	fluoroiodomethane	ch2fi
871	CH2Br2	dibromomethane	ch2br2
872	CH2ClI	chloroiodomethane	ch2cli
873	CH2BrI	bromoiodomethane	ch2bri
874	CH2I2	Diiodomethane	ch2i2
875	SiH2Cl2	dichlorosilane	sih2cl2
876	CH3MgBr	Methyl Magnesium Bromide	ch3mgbr
877	CH2CHF+	fluoroethene cation	ch2chf+
878	C2H3Cl	Ethene, chloro-	ch2chcl
879	C2H3Br	vinyl bromide	c2h3br
880	C2H3I	Vinyl iodide	c2h3i
881	CH2FOH	fluoromethanol	ch2foh
882	CH3OCl	methyl hypochlorite	ch3ocl
883	CH2CH2Cl	2-chloroethyl radical	ch2ch2cl
884	CHClCH3	1-chloroethyl radical	chclch3
885	CH3CH2Cl	Ethyl chloride	c2h5cl
886	CH3SiFH2	fluoromethylsilane	ch3sifh2
887	C2H5Br	Ethyl bromide	etbr
888	C2H5I	Ethyl iodide	c2h5i
889	KrF2	Krypton difluoride	krf2
890	XeF2	Xenon difluoride	xef2
891	B4H10	Tetraborane(10)	b4h10
892	C4+	Carbon tetramer cation	c4+
893	C4H2+	diacetlyene cation	c4h2+
894	C4H4	cyclobutadiene	cbd
895	C4H4	Tetrahedrane	c4h4
896	CHCCH2CH3	1-Butyne	c107006
897	CH3CHCHCH2	methylallyl radical	c4h7
898	C4H8	methylcyclopropane	mcp
899	CH2CHCH2CH3	1-Butene	bute1
900	B(CH3)3	trimethylborane	bme3
901	Al(CH3)3	trimethyl aluminum	tma
902	CH3CHCH2CH3	2-Butyl radical	butyl2
903	SiH(CH3)3	trimethylsilane	trimsi
904	Li3N	trilithium nitride	li3n
905	C2N2+	Cyanogen cation	c2n2+
906	P4	Phosphorus tetramer	p4
907	As4	Arsenic tetramer	as4
908	HCCCN+	Cyanoacetylene cation	hcccn+
909	H2CNCN	cyanamide, methylene	ch2ncn
910	HNCCNH	Ethenediimine	hnccnh
911	C3H3N+	acrylonitrile cation	ch2chcn+
912	CH3N3	methyl azide	ch3n3
913	NH2CCNH2	Diaminoacetylene	daa
914	NH2CH2CN	Aminoacetonitrile	aan
915	CH3NHN2+	methyl azide, protonated	ch3nhn2+
916	C2H5CN	ethyl cyanide	c2h5cn
917	CH5N3	Guanidine	guanidine
918	C4H6	Bicyclo[1.1.0]butane	c157335
919	CH3NNCH3	(Z)-1,2-Dimethyldiazene	dmdiazz
920	H2NCHCHNH2	diaminoethylene	dae
921	CH6N3+	guanidinium	ch6n3+
922	CH7N3	triaminomethane	tam
923	C3H7N	Azetidine	azet
924	CH3NHNHCH3	dimethyl hydrazine	dmh
925	NH2CH2CH2CH3	1-Propanamine	pram1
926	P(CH3)3	trimethylphosphine	tmp
927	N(SiH3)3	trisilylamine	tsa
928	As(CH3)3	trimethyl arsine	tmas
929	(CH3)3NH+	protonated trimethyl amine	ptma
930	C3H7NH3+	n-propylamine, protonated	c3h7nh2
931	Li2O2	dilithium dioxide	li2o2
932	Na2O2	disodium dioxide	na2o2
933	K2O2	dipotassium dioxide	k2o2
934	C3O	Tricarbon monoxide	c3o
935	ONNO	NO dimer	onno
936	CO3	Carbon trioxide	co3
937	NO3-	nitrate anion	no3-
938	NO3+	nitrogen trioxide cation	no3+
939	SO3-	Sulfur trioxide anion	so3-
940	SO3--	Sulfate dianion	so3--
941	SO3+	Sulfur trioxide cation	so3+
942	SeO3	selenium trioxide	seo3
943	TeO3	Tellurium trioxide	teo3
944	HCO3-	bicarbonate anion	hco3-
945	HSO3	Hydroxysulfonyl radical	hso3
946	NH2NO2	nitramide	nh2no2
947	C2H2CO	cyclopropenone	c2h2co
948	C3H2O	Propadienal	c3h2o
949	HCCCHO	2-propynal	hcccho
950	C2H2O2+	Ethanedial cation	c2h2o2+
951	H2CO3	Carbonic acid	h2co3
952	H2CS3	thiocarbonic acid	h2cs3
953	H2NO3+	Nitric Acid, Protonated	h2no3+
954	H2SO3	Sulfurous acid	h2so3
955	C2H3NO	Nitrosoethylene	c2h3no
956	CH3NCO	methylisocyante	ch3nco
957	HOCH2CN	cyanomethanol	hoch2cn
958	NH2COOH	Carbamic acid	nh2cooh
959	H3BO3	Boric acid	h3bo3
960	H3CO3+	carbonic acid, protonated	h3co3+
961	C3H4O	2-Propyn-1-ol	c107197
962	C3H4O	Methylketene	c6004440
963	NH2CONH2+	Urea cation	urea+
964	NH2CSNH2	Thiourea	thiourea
965	C2H4O2	1,3-dioxetane	c2h4o2
966	NH2COOH2+	Carbamic acid, O-protonated	nh2cooh2+
967	NH3COOH+	protonated Carbamic acid	nh3cooh+
968	H2OHCOOH	Water formic acid dimer 1	h2ohcooh_10
969	H2OHCOOH	Water formic acid dimer 2	h2ohcooh_11
970	HCOOHH2O	Formic acid water dimer	hcoohh2o
971	HOCH2OOH	hydroxy methyl peroxide	hoch2ooh
972	CH3COCH2	Acetonyl radical	ch3coch2
973	CH2C(OH)NH2	1-amino vinyl alchohol	ava
974	CH3C(OH)=NH	Ethaninidic acid	eia
975	HCONHCH3	N-methylformamide	nmfa
976	CH5N2O+	urea, N-protonated	ch4n2o+
977	H2NCOHNH2+	urea, protonated	ureah+
978	C2H5OO	ethylperoxy radical	c2h5oo
979	CH3NNCH3	(E)-1,2-Dimethyldiazene	dmdiaze
980	C3H5OH	Cyclopropanol	cproh
981	C3H6O	2-Propen-1-ol	c107186
982	C3H6O	Acetone enol	enol
983	C3H6O	Oxetane	oxetane
984	CH3COCH3-	acetone anion	ch3coch3-
985	C3H6S	Thietane	thietane
986	C3H6S	Thiirane, methyl-	methiirane
987	CH3CSCH3	Thioacetone	ch3csch3
988	CH3OOCH3	dimethylperoxide	dmp
989	CH3SOCH3	Dimethyl sulfoxide	dmso
990	CH2SHCH2SH	1,2-Ethanedithiol	ethdisl
991	CH3SSCH3	Disulfide, dimethyl	ch3ssch3
992	CH3COHCH3+	acetone, protonated	acetoneh+
993	HOCH2CH2NH2	monoethanolamine	mea
994	C3H7SH	1-Propanethiol	prsh
995	CH3CHSHCH3	2-Propanethiol	isoprsh
996	CH3SCH2CH3	Ethane, (methylthio)-	etsme
997	H2OCH3OCH3	water dimethylether dimer	h2och3och3
998	Li2F2	Lithium fluoride dimer	li2f2
999	Na2F2	Sodium Fluoride Dimer	na2f2
1000	Na2Cl2	Disodium dichloride	na2cl2
1001	C2Cl2	dichloroacetylene	c2cl2
1002	C2Cl2+	dichloroacetylene cation	c2cl2+
1003	FNO2	Nitryl fluoride	fno2
1004	FONO	Nitrosyl hypofluorite	fono
1005	ClNO2	Nitryl chloride	clno2
1006	ClONO	chlorine nitrite	clono
1007	BrONO	Bromine nitrite	brono
1008	CF2O+	Carbonic difluoride cation	f2co+
1009	COFCl	Carbonic chloride fluoride	cofcl
1010	CCl2O	Phosgene	cl2co
1011	COBr2	Carbonic dibromide	cobr2
1012	BF3-	Borane, trifluoro- anion	bf3-
1013	BF3+	boron trifluoride cation	bf3+
1014	BClF2	Chlorodifluoroborane	bclf2
1015	AlF2Cl	Aluminum chloride difluoride	alclf2
1016	ScF3	Scandium trifluoride	ScF3
1017	AlFCl2	Aluminum dichloride fluoride	alcl2f
1018	BCl3	Borane, trichloro-	bcl3
1019	BCl3+	Boron Trichloride cation	bcl3+
1020	GaF3	Gallium trifluoride	gaf3
1021	AlCl3	Aluminum trichloride	alcl3
1022	GaCl3	Gallium trichloride	gacl3
1023	BBr3	Boron tribromide	bbr3
1024	AlBr3	Aluminum Bromide	albr3
1025	ClO3	Chlorine trioxide	clo3
1026	ClO3-	chlorate anion	clo3-
1027	BrO3-	Bromate anion	bro3-
1028	CF3-	Trifluoromethyl anion	cf3-
1029	CF3+	Trifluoromethyl cation	cf3+
1030	CF2Cl	difluorochloromethyl radical	cf2cl
1031	SiF3	Silicon trifluoride radical	sif3
1032	SiF3+	Silicon trifluoride cation	sif3+
1033	CFCl2	dichlorofluoromethyl radical	cfcl2
1034	CCl3	Trichloromethyl radical	ccl3
1035	CCl3-	Trichloromethyl anion	ccl3-
1036	CCl3+	Trichloromethyl cation	ccl3+
1037	SiCl3	trichlorosilyl radical	sicl3
1038	SiCl3+	trichlorosilyl cation	sicl3+
1039	CBr3	tribromomethyl radical	cbr3
1040	FOOF	Perfluoroperoxide	foof
1041	ClOOCl	Dichlorine dioxide	cloocl
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	NBr3	Nitrogen Tribromide	nbr3
1054	PBr3	Phosphorus tribromide	pbr3
1055	AsBr3	Arsenic tribromide	asbr3
1056	NI3	Nitrogen triiodide	ni3
1057	PI3	Phosphorus triiodide	pi3
1058	ClSSCl	Disulfur dichloride	s2cl2
1059	BrF3	Bromine trifluoride	brf3
1060	IF3	iodone trifluoride	if3
1061	CHF2Cl	difluorochloromethane	chf2cl
1062	SiHF3	trifluorosilane	sihf3
1063	CHFCl2	fluorodichloromethane	chfcl2
1064	CDCl3	trichloromethane-d	cdcl3
1065	CHCl3	Chloroform	chcl3
1066	CHBrF2	Methane, bromodifluoro-	chbrf2
1067	SiHCl3	Trichlorosilane	sihcl3
1068	CHFClBr	fluorochlorobromomethane	chfclbr
1069	CHBrCl2	Methane, bromodichloro-	chbrcl2
1070	CHF2I	difluoroiodomethane	chf2i
1071	CHBr2F	dibromofluoromethane	chbr2f
1072	CHFClI	fluorochloroiodomethane	chfcli
1073	CHCl2I	dichloroiodomethane	chcl2i
1074	CHClBr2	Methane, dibromochloro-	chclbr2
1075	CHBr3	bromoform	chbr3
1076	CHI3	Iodoform	chi3
1077	NF3H+	protonated nitrogen trifluoride	nf3h+
1078	AsF3H+	Arsenic trifluoride, protonated	asf3h+
1079	C2H2F2	Ethene, 1,2-difluoro-, (E)-	c2h2f2e
1080	C2H2ClF	1-chloro-1-fluoroethylene	c2h2clf
1081	CHFCHCl	(E)-1-chloro-2-fluoroethene	chfchcle
1082	CHFCHClz	(Z)-1-Chloro-2-fluoroethene	chfchclz
1083	CH2CCl2	Ethene, 1,1-dichloro-	ch2ccl2
1084	CHClCHCl	Ethene, 1,2-dichloro-, (E)-	chclchcle
1085	CHClCHCl	Ethene, 1,2-dichloro-, (Z)-	chclchclz
1086	C2H2Br2	1,1-dibromoethene	c2h2br2
1087	CHBrCHBr	Ethene, 1,2-dibromo-, (E)-	chbrchbre
1088	CHBrCHBr	Ethene, 1,2-dibromo-, (Z)-	chbrchbrz
1089	CH2FCHO	Fluoroacetaldehyde	ch2fcho
1090	CH2ClCHO	chloroacetaldehyde	ch2clcho
1091	CH3COCl	Acetyl Chloride	ch3cocl
1092	C2H4F2	1,2-difluoroethane	c2h4f2
1093	CH2FCH2Cl	Ethane, 1-chloro-2-fluoro-	ch2fch2cl
1094	CH3CHFCl	Ethane, 1-chloro-1-fluoro-	ch3chfcl
1095	CH2ClCH2Cl	Ethane, 1,2-dichloro-	ch2clch2cl
1096	CH3CHCl2	Ethane, 1,1-dichloro-	ch3chcl2
1097	CH2BrCH2Cl	1-bromo-2-chloroethane	ch2brch2cl
1098	CH2BrCH2Br	Ethane, 1,2-dibromo-	ch2brch2br
1099	CH2CFCH3	2-fluoropropene	2fpro
1100	CH2CHCH2F	Allyl Fluoride	allylf
1101	CH3CHCHF	trans-1-Fluoro-1-propene	propene1ft
1102	C3H5Cl	1-Propene, 3-chloro-	prop1cl3
1103	C3H5Cl	1-chloro-1-propene(E)	prop1cl1e
1104	C3H5Cl	1-chloro-1-propene(Z)	prop1cl1z
1105	CH2FCH2OH	2-fluoroethanol	ch2fch2oh
1106	CH2ClCH2OH	2-Chloroethanol	ch2clch2oh
1107	CH2ClCH2OH2+	2-chloroethanol, protonated	ch2clch2oh2+
1108	CH2FCH2CH3	1-Fluoropropane	prf1
1109	CH3CHFCH3	2-Fluoropropane	prf2
1110	CH2ClCH2CH3	Propane, 1-chloro-	prcl1
1111	CH3CHClCH3	Propane, 2-chloro-	prcl2
1112	CH3CH2CH2Br	n-propyl bromide	prbr
1113	CH3CHBrCH3	i-propyl bromide	iprbr
1114	C3H9O+	trimethyl oxonium cation	c3h9o+
1115	B5H9	pentaborane9	b5h9
1116	C5H4	pentatetraene	ptrene
1117	C5H5	cyclopentadienyl radical	c5h5
1118	C5H6	Propellane	propellane
1119	C5H7	1,3-pentadienyl radical	pdyl
1120	C5H7	cyclopentenyl radical	cpyl
1121	C5H8	1-pentyne	a1pentyne
1122	C5H8	Bicyclo[1.1.1]pentane	bcp
1123	C5H8	Ethenylcyclopropane	c693867
1124	CH3CCCH2CH3	2-Pentyne	2pentyne
1125	C5H10	Cyclopentane	c287923
1126	Si(CH3)4	tetramethylsilane	tms
1127	CH2N4	1H-Tetrazole	1htz
1128	C3H3N2	imidazolyl radical	im
1129	C3H3N2-	imidizolyl anion	im-
1130	C2H3N3	1H-1,2,4-Triazole	c288880
1131	C4H4N	pyrrolide radical	c4h4n
1132	C4H4N-	pyrrolide anion	c4h4n-
1133	C3H4N2	2H-Imidazole	imid2h
1134	C3H4N2	4H-Imidazole	imid4h
1135	C4H5N	2H-pyrrole	pyrrole2
1136	C4H5N	3H-pyrrole	pyrrole3
1137	CH2CHCH2CN	Allylcyanide	ch2chch2cn
1138	C4H6N+	pyrrole, alpha-protonated	appyr
1139	C4H6N+	pyrrole, beta-protonated	bppyr
1140	C4H6N+	pyrrole, protonated	ppyr
1141	CH3CH(CH3)CN	Propanenitrile, 2-methyl-	c4h7n
1142	CH3CH2CH2CN	Butanenitrile	c109740
1143	NH(C2H5)2	diethylamine	dea
1144	NC4H12+	tetramethyl ammonium cation	nc4h12+
1145	C3O2+	Carbon suboxide cation	c3o2+
1146	B2O3	diboron trioxide	b2o3
1147	MgCO3	Magnesium Carbonate	mgco3
1148	BeCO3	Beryllium Carbonate	beco3
1149	CaCO3	Calcium Carbonate	caco3
1150	ONONO	Nitrosyl nitrite	onono
1151	PO4---	phosphate	po4---
1152	SO4--	sulfate	so4--
1153	HOONO2	peroxy nitric acid	hoono2
1154	HSO4-	bisulfate anion	hso4-
1155	C2H2N2S	1,3,4-Thiadiazole	c2h2n2s
1156	C3H2O2	Propiolic acid	c3h2o2
1157	CHOCOOH	oxo acetic acid	oaa
1158	CHOOCHO	diformyl ether	choocho
1159	H2SeO4	Selenic acid	h2seo4
1160	C3H3NO	Oxazole	oxazole
1161	C3H3NS	Thiazole	thiazole
1162	CH3C(O)OO	acetyl peroxy radical	ch3coo2
1163	H3PO4	Phosphoric Acid	h3po4
1164	C4H4O+	Furan cation	furan+
1165	CH3COCCH	3-butyn-2-one	c1423605
1166	C4H4S	Thiophene	furans
1167	C4H4Se	selenophene	c4h4se
1168	C3H4O2	Methyl glyoxal	megly
1169	HOCHCCHOH	allenediol	aldiol
1170	C2H4O3	1,2,3-trioxolane	c2h4o3
1171	C2H4O3	trioxolane124	triox
1172	HOCH2COOH	Hydroxyacetic acid	hac
1173	CH5N3S	Hydrazinecarbothioamide	c79196
1174	CH3SO2NH2	methanesulfonamide	ch3so2nh2
1175	C4H6S	Thiophene, 2,3-dihydro-	thiop23h
1176	C4H6S	Thiophene, 2,5-dihydro-	thiop25h
1177	CH2CHSCHCH2	Divinyl sulfide	divis
1178	CH3CH2COOH	Propanoic Acid	propanoic
1179	HCOOC2H5	Ethyl formate	faee
1180	CH3SSSCH3	dimethyl trisulfide	c2h6s3
1181	C3H7NO	dimethylformamide	dmf
1182	C4H8O	Furan, tetrahydro-	thf
1183	C4H8S	Thiophene, tetrahydro-	tht
1184	C3H8S2	1,3-Propanedithiol	c109808
1185	C4H10O	1-Butanol	butanol1
1186	C4H10O	Methyl propyl ether	meopr
1187	C4H10O+	1-Butanol cation	butanol1+
1188	C(CH3)3SH	2-Propanethiol, 2-methyl-	tbush
1189	C2H5SC2H5	Diethyl sulfide	etset
1190	C4H9SH	1-Butanethiol	bush
1191	CH2(SH)CH(CH3)CH3	1-Propanethiol, 2-methyl-	c513440
1192	CH3C(SCH3)HCH3	Propane, 2-(methylthio)-	mesipr
1193	CH3CH(SH)CH2CH3	2-Butanethiol	butansl2
1194	ClONO2	Chlorine nitrate	clono2
1195	BrONO2	Bromine nitrate	brono2
1196	TiCl4	Titanium tetrachloride	ticl4
1197	ClO4-	perchlorate anion	clo4-
1198	ClFO3	Perchloryl fluoride	clfo3
1199	SO2F2	Sulfuryl fluoride	so2f2
1200	SO2Cl2	Sulfuryl chloride	so2cl2
1201	F3PO	Phosphoryl fluoride	pf3o
1202	Cl3PO	Phosphoryl chloride	pcl3o
1203	CF3Cl	Methane, chlorotrifluoro-	cf3cl
1204	SiF4	Silicon tetrafluoride	sif4
1205	TiF4	Titanium tetrafluoride	tif4
1206	CFCl3	Trichloromonofluoromethane	cfcl3
1207	CF3Br	Bromotrifluoromethane	cf3br
1208	GeF4	Germanium tetrafluoride	gef4
1209	CCl4	Carbon tetrachloride	ccl4
1210	CCl4+	Carbon tetrachloride cation	ccl4+
1211	CBrClF2	Methane, bromochlorodifluoro-	cbrclf2
1212	SiCl4	Silane, tetrachloro-	sicl4
1213	CBrCl2F	bromodichlorofluoromethane	cbrcl2f
1214	CF3I	trifluoroiodomethane	cf3i
1215	CBrCl3	Methane, bromotrichloro-	cbrcl3
1216	CBr2F2	Methane, dibromodifluoro-	cbr2f2
1217	GeCl4	Germanium Tetrachloride	gecl4
1218	CBr2ClF	dibromochlorofluoromethane	cbr2clf
1219	CBr2Cl2	dibromodichloromethane	cbr2cl2
1220	CCl3I	trichloroiodomethane	ccl3i
1221	CFBr3	fluorotribromomethane	cfbr3
1222	CFClBrI	fluorochlorobromoiodomethane	cfclbri
1223	CBr3Cl	tribromochloromethane	cbr3cl
1224	CF2I2	difluorodiiodomethane	cf2i2
1225	CBr4	Carbon tetrabromide	cbr4
1226	CCl2I2	dichlorodiiodomethane	ccl2i2
1227	SiBr4	Silicon tetrabromide	sibr4
1228	CBr3I	tribromoiododmethane	cbr3i
1229	GeBr4	Germanium tetrabromide	gebr4
1230	CI4	tetraiodomethane	ci4
1231	SiI4	silicon tetraiodide	sii4
1232	ClOF3	Chlorine trifluoride oxide	clof3
1233	SeF4	Selenium tetrafluoride	sef4
1234	SCl4	Sulfur tetrachloride	scl4
1235	C2HF3+	Trifluoroethylene cation	c2hf3+
1236	CHClCCl2	Trichloroethylene	chclccl2
1237	CHBrCF2	1-Bromo-2,2-difluoroethylene	chbrcf2
1238	HSO3F	Fluorosulfonic acid	hso3f
1239	CF3OH	trifluoromethanol	cf3oh
1240	CH2ClCCCl	1,3-dichloropropyne	ch2clcccl
1241	CHClCCHCl	1,3-dichloroallene	chclcchcl
1242	CHCl2CCH	3,3-dichloropropyne	chcl2cch
1243	CHCl2CHO	dichloroacetaldehyde	chcl2cho
1244	PF3CH2	phosphorane, trifluoromethylene-	pf3ch2
1245	CHF2CH2F	Ethane, 1,1,2-trifluoro	ch2fchf2
1246	CH3CF2Cl	1-Chloro-1,1-Difluoroethane	ch3cf2cl
1247	CH3CFCl2	1,1-Dichloro-1-fluoroethane	ch3cfcl2
1248	CH2ClCHCl2	1,1,2-trichloroethane	ch2clchcl2
1249	CH3CCl3	Ethane, 1,1,1-trichloro-	ch3ccl3
1250	SiCl3CH3	methyltrichlorosilane	sicl3ch3
1251	CH3CBr3	1,1,1-tribromoethane	ch3cbr3
1252	NH3BCl3	Amminetrichloroboron	nh3bcl3
1253	CH2CClCHCH2	1,3-Butadiene, 2-chloro-	c4h5cl
1254	C3H5ClO	Oxirane, (chloromethyl)-	c106898
1255	CH2FCH2CH2F	1,3-difluoropropane	ch2fch2ch2f
1256	CH3CF2CH3	2,2-difluoropropane	ch3cf2ch3
1257	CH2ClCH2CH2Cl	1,3-dichloropropane	prdicl13
1258	CH2ClCHClCH3	Propane, 1,2-dichloro-	prdicl12
1259	CH3CCl2CH3	Propane, 2,2-dichloro-	prdicl22
1260	CHCl2CH2CH3	1,1-dichloropropane	prdicl11
1261	SiCl2(CH3)2	dichlorodimethylsilane	sicl2me2
1262	CH2CClCH2CH3	1-Butene, 2-chloro-	bute1cl2
1263	CH2CHCH2CH2Cl	1-Butene, 4-chloro-	bute1cl4
1264	CH2CHCHClCH3	1-Butene, 3-chloro-	bute1cl3
1265	CH2ClCHCHCH3	2-Butene, 1-chloro-	bute2cl1
1266	CH3CClCHCH3	2-Butene, 2-chloro-, (E)-	bute2cl2e
1267	CH3CClCHCH3	2-Butene, 2-chloro-, (Z)-	bute2cl2z
1268	CHClCHCH2CH3	(E)-1-Chloro-1-butene	bute1cl1
1269	CHClCHCH2CH3	(Z)-1-Chloro-1-butene	bute1cl1z
1270	C4H9F	1-fluorobutane	butaf1
1271	CH3CHFCH2CH3	2-fluorobutane	butaf2
1272	CH2ClCH2CH2CH3	Butane, 1-chloro-	butacl1
1273	CH3CCl(CH3)CH3	Propane, 2-chloro-2-methyl-	procl2me2
1274	CH3CHClCH2CH3	Butane, 2-chloro-	butacl2
1275	XeF4	Xenon tetrafluoride	xef4
1276	C2H2N2O	Furazan	furazan
1277	CF3PH2	phosphine, (trifluoromethyl)-	cf3ph2
1278	NH3BF3	Amminetrifluoroboron	nh3bf3
1279	C6H2	hexatriyne	c6h2
1280	C6H4	Benzyne	benzyne
1281	C6H5-	phenyl anion	phenyl-
1282	C6H6	Prismane	prismane
1283	C6H6	1,2,4,5-Hexatetraene	ht1245
1284	C6H6	3,4-Dimethylenecyclobutene	cb34m
1285	C6H6	Benzvalene	bv
1286	C6H6	Dewar Benzene	dewar
1287	C6H6	Hexa-1,5-diene-3-yne	hdy153
1288	C6H6	Trimethylenecycopropane	tmcp
1289	C6H6+	Benzene cation	c6h6+
1290	C6H7+	benzene, protonated	c6h7+
1291	C6H8	1,3-Cyclohexadiene	cyhexadiene13
1292	C6H10	1,5-Hexadiene	c592427
1293	C4H6(CH3)2	1,1-dimethylcyclobutane	dmcb11
1294	C6H12	(1R,2R)-1,2-dimethylcyclobutane	dmcb12t
1295	C6H12	(1r,3r)-1,3-dimethylcyclobutane	dmcb13t
1296	C6H12	(E)-2-Hexene	e2hexene
1297	C6H12	(E)-hex-3-ene	e3hexene
1298	C6H12	(Z)-hex-2-ene	z2hexene
1299	C6H12	(Z)-hex-3-ene	z3hexene
1300	C6H12	2,3-dimethylbut-1-ene	c563780
1301	C6H12	2,3-dimethyl-but-2-ene	tmeet
1302	C6H12	cis-1,2-dimethylcyclobutane	dmcb12c
1303	C6H12	cis-1,3-dimethylcyclobutane	dmcb13c
1304	N3P3	1,3,5,2,4,6-Triazatriphosphorine	n3p3
1305	C4H2N2	Fumaronitrile	c4h2n2
1306	C2H2N4	sym-tetrazine	ttz
1307	C5H5N	E-2,4-pentadienenitrile	bdcn
1308	B3N3H6	borazine	borazine
1309	C5H6N+	Pyridinium	c5h6n
1310	C6H10	Bicyclo[3.1.0]hexane	c285585
1311	Li2CO3	Lithium Carbonate	li2co3
1312	Na2CO3	Sodium Carbonate	na2co3
1313	C2O4--	oxalate anion	c2o4
1314	MgSO4	Magnesium Sulfate	mgso4
1315	C3H2O3	vinylene carbonate	vica
1316	C2H2O4	Oxalic Acid	oxalic
1317	C4H4O2	2(5H)-Furanone	furanone
1318	C2H4N2S2	Ethanedithioamide	c79403
1319	C2H4CO3	Ethylene carbonate	etco3
1320	C3H4O2S	2H-Thiete-1,1-dioxide	c7285327
1321	C3H4S3	1,3-Dithiolane-2-thione	c822388
1322	C2H4O4	Formic acid dimer	fadimer
1323	C4H5NS	4-Methylthiazole	c693958
1324	C2H5NO3	Nitric acid, ethyl ester	c625581
1325	C5H6O	2H-Pyran	pyran2
1326	C5H6O	2-methylfuran	furan2m
1327	C5H6O	3-Methylfuran	furan3m
1328	C5H6O	Pentadienal	pdal
1329	C5H6S	Thiophene, 2-methyl-	c554143
1330	C5H6S	Thiophene, 3-methyl-	c616444
1331	C4H6O2	γ–Butyrolactone	c96480
1332	C4H6O2	2,3-Butanedione	c431038
1333	C4H6O2	Crotonic Acid	crot
1334	C4H6OS	2,3-dihydrothiophene-2-ol	c9000117
1335	C4H6OS	2,5-dihydrothiophene-3-ol	c9000093
1336	C4H6OS	4,5-dihydrothiophene-2-ol	c9000106
1337	C4H6OS	4,5-dihydrothiophene-3-ol	c9000082
1338	C4H6OS	Dihydro-2-(3H)-thiophenone	c1003107
1339	C4H6OS	Dihydro-3-(2H)-thiophenone	c1003049
1340	C4H6OS	Vinyl sulfoxide	c1115157
1341	CH6N4S	Carbonothioic dihydrazide	thiacarb
1342	C3H6S3	1,3,5-Trithiane	c3h6s3
1343	C3H6S3	Carbonotrithioic acid, dimethyl ester	c2314489
1344	C2H6O3S	Sulfurous acid, dimethyl ester	c616422
1345	C4H7NO	Ethoxyacetonitrile	etoaccn
1346	HCONH2CN2H4	formamide aminomethanimine dimer	d13
1347	C3H7ONO	Propyl nitrite	prono
1348	C5H8O	Cyclopentanone	c120923
1349	C5H8O	Methyl cyclopropyl ketone	c765435
1350	NH(CH3)CONH(CH3)	Urea, N,N'-dimethyl-	c96311
1351	C4H8O2	1,3-Dioxane	dioxan13
1352	C4H8O2	Ethyl acetate	c141786
1353	C4H8OS	s-Ethyl thioacetate	c625605
1354	C3H8O2S	(Methylsulfonyl)ethane	c594434
1355	C5H10O	2-methylbutyraldehyde	2meba
1356	C5H10S	2H-Thiopyran, tetrahydro-	c1613510
1357	C5H10S	3-Ethylthio-1-propene	c5296628
1358	C5H10S	Cyclopentanethiol	c1679078
1359	C5H10S	Thiophene, tetrahydro-2-methyl-	c1795091
1360	C5H10S	Thiophene, tetrahydro-3-methyl-	c4740005
1361	C4H10OS	Diethyl sulfoxide	c70291
1362	C4H10S2	1,4-Butanedithiol	budisl14
1363	C5H12S	1-Butanethiol, 2-methyl-	c1878188
1364	C5H12S	1-Butanethiol, 3-methyl-	c541311
1365	C5H12S	1-Pentanethiol	c110667
1366	C5H12S	1-Propanethiol, 2,2-dimethyl-	c1679089
1367	C5H12S	2-Butanethiol, 2-methyl-	c1679090
1368	C5H12S	2-Butanethiol, 3-methyl-	c2084186
1369	C5H12S	Butane, 1-(methylthio)-	c628295
1370	C5H12S	Ethyl propyl sulfide	c4110503
1371	C5H12S	Propane, 2-(ethylthio)-	c5145993
1372	C5H12S	Propane, 2-methyl-2-(methylthio)-	c6163640
1373	C4F2	difluorobutadiyne	c4f2
1374	ClCOClCO	Oxalyl chloride	oxcl
1375	CF3CN+	Acetonitrile, trifluoro- cation	cf3cn+
1376	C2F4+	Tetrafluoroethylene cation	c2f4+
1377	C2ClF3	Ethene, chlorotrifluoro-	c2f3cl
1378	CF2CCl2	difluorodichloroethylene	cf2ccl2
1379	CFClCClF	trans-1,2-dichloro-1,2-difluoroethylene	cfclcclf
1380	CFClCFCl	cis-1,2-dichloro-1,2-difluoroethylene	cfclcfcl
1381	C2FCl3	fluorotrichloroethene	c2fcl3
1382	C2Cl4	Tetrachloroethylene	c2cl4
1383	C2Br4	tetrabromoethene	c2br4
1384	AsF5	Arsenic pentafluoride	asf5
1385	PCl5	Phosphorus pentachloride	pcl5
1386	SF5	Sulfur pentafluoride	sf5
1387	SF5+	pentafluoro sulfur cation	sf5+
1388	SbCl5	Antimony pentachloride	sbcl5
1389	BrF5	bromine pentafluoride	brf5
1390	ClF5	chlorinepentafluoride	clf5
1391	IF5	pentafluoroiodine	if5
1392	CF3CHO	trifluoroacetaldehyde	cf3cho
1393	CCl3CHO	trichloroacetaldehyde	ccl3cho
1394	CHFClCHClF	ethane, 1,2-dichloro-1,2-difluoro-	chfclchclf
1395	CF3CH2F	1,1,1,2-tetrafluoroethane	cf3ch2f
1396	CHF2CHF2	1,1,2,2-tetrafluoroethane	chf2chf2
1397	CF3CH2Cl	2,2,2-Trifluoroethyl chloride	cf3ch2cl
1398	CHFClCHFCl	1,2-dichloro-1,2-difluoroethane RR	chfclchfcl
1399	CH2ClCCl3	1,1,1,2-tetrachloroethane	ch2clccl3
1400	CH2BrCBr3	1,1,1,2-tetrabromo ethane	c2h2br4
1401	CHCl2CHF2	1,1-dichloro-2,2-difluoroethane	c2h2cl2f2
1402	CF3COOH	trifluoroacetic acid	cf3cooh
1403	C4H3ClO	Furan, 2-chloro	fur2cl
1404	C4H3ClO	Furan,3-chloro	fur3cl
1405	C3H5ClO2	Carbonochloridic acid, ethyl ester	c541413
1406	C3H5Cl3	Propane, 1,2,3-trichloro-	prcl135
1407	C4H8Cl2	1,4-Dichlorobutane	c110565
1408	C4H8Cl2	Butane, 1,2-dichloro-	c616217
1409	C4H8Cl2	Butane, 1,3-dichloro-	c1190223
1410	C4H8Cl2	Butane, 2,3-dichloro-, (r*,r*)-(.+/-.)-	c2211678
1411	C4H8Cl2	Butane, 2,3-dichloro-, (r*,s*)-	c4028562
1412	C4H9ClO	1-Chloro-2-ethoxyethane	c628342
1413	C5H11Cl	Pentane, 1-chloro-	pencl1
1414	C4H8O2	Butanoic acid	bua
1415	C7H7	cycloheptatrienyl radical	c7h7
1416	C7H7+	cycloheptatrienyl cation	c7h7+
1417	C7H8	cycloheptatriene	cht
1418	C7H8	Norbornadiene	norbor
1419	C7H8	Quadricyclane	qucy
1420	C7H14	cycloheptane	c7h14
1421	C7H16	3-methylhexane	hex3m
1422	CH(CN)3	tricyanomethane	mecn3
1423	HN=C=C(CN)2	Dicyanoketenimine	c4hn3
1424	C6H7N	2-Methylpyridine	mp
1425	C6H5NH2	aniline	aniline
1426	C6H13N	2-Methylpiperidine	pip2m
1427	C6H13N	cyclohexanamine	cham
1428	C6H15N	triethylamine	tea
1429	N2O5	Dinitrogen pentoxide	n2o5
1430	C4H2O3	Maleic Anhydride	malan
1431	C5H4O2	4-Cyclopentene-1,3-dione	cpdio
1432	C5H4O2	furfural	furfural
1433	C6H5O	phenoxy radical	phenoxy
1434	C5H5NO	2(1H)-Pyridinone	c72762006
1435	C5H5NO	2(3H)-Pyridinone	c9000048
1436	C5H5NO	2(5H)-Pyridinone	c9000037
1437	C5H5NO	2-Pyridinol	c109104
1438	C5H5NO	3(2H)-Pyridinone	c9000004
1439	C5H5NO	3(4H)-Pyridinone	c9000026
1440	C5H5NO	3(6H)-Pyridinone	c9000015
1441	C5H5NO	3-Pyridinol	c109002
1442	C5H5NO	4(1H)-Pryidinone	c9000060
1443	C5H5NO	4(3H)-Pryidinone	c9000059
1444	C5H5NO	4-Pyridinol	c626642
1445	C6H6O	2,4-Cyclohexadienone	c24599573
1446	C6H6O	2,5-Cyclohexadienone	c5664335
1447	C6H5SH	Benzenethiol	phsh
1448	HO2CCHNH2CH2OH	Serine	serine
1449	C5H8O2	Acetylacetone	acac
1450	C4H8O2S	Sulfolane	sulfolane
1451	C7H10	Norbornene	norbornene
1452	CH(C2H3)3	trivinyl methane	tvm
1453	C6H12O	hexanal	c6h12o
1454	C6H12O	Oxepane	oxepane
1455	C3H7OC3H7	di-n-propyl ether	propr
1456	F2CCCF2	tetrafluoroallene	pfa
1457	CF3COO-	trifluoro acetate anion	cf3coo-
1458	CF3COF	trifluoroacetyl fluoride	cf3cof
1459	CF3COCl	trifluoroacetyl chloride	cf3cocl
1460	PF6	Hexafluorophosphate neutral	pf6
1461	SF6	Sulfur Hexafluoride	sf6
1462	SeF6	Selenium hexafluoride	sef6
1463	CF3CHF2	pentafluoroethane	cf3chf2
1464	CF3CHFCl	1,1,1,2-tetrafluorochloroethane	cf3chfcl
1465	CF3CHCl2	1,1-Dichloro-2,2,2-trifluoroethane	cf3chcl2
1466	CHCl2CClF2	Ethane, 1,2,2-trichloro-1,1-difluoro-	chcl2cclf2
1467	CCl3CHCl2	pentachloroethane	ccl3chcl2
1468	C6H5Cl	chlorobenzene	bzcl
1469	C6H5Br	bromobenzene	bzbr
1470	C8H6	Calicene	calicene
1471	C8H6	benzocyclobutadiene	bcbd
1472	C8H6	Pentalene	pentalene
1473	CH3C6H4CH3	meta-xylene	mxylene
1474	CH3C6H4CH3	paraxylene	pxylene
1475	C8H14	Bicyclo[2.2.2]octane	bico222
1476	C8H16	cyclooctane	cyclooct
1477	(CH3)3CC(CH3)3	tetramethylbutane	tmb
1478	C8H18	Octane	c8h18
1479	C6H12N2	Triethylenediamine	ted
1480	C4O4--	squarate dianion	c4o4--
1481	S4N4	Tetrasulfur tetranitride	s4n4
1482	S8	Octasulfur	s8
1483	C6H4O2	parabenzoquinone	pbq
1484	C4H4N2O2	Uracil	uracil
1485	C5H9NO2	Proline	proline
1486	C6H12O2	Methyl pivalate	c598981
1487	C6H12O2	Hexanoic acid	hexa
1488	C4F4	tetrafluorcyclobutadiene	c4f4
1489	CF3CF2Cl	pentafluorochloroethane	cf3cf2cl
1490	CF2ClCF2Cl	1,2-Dichloro-1,1,2,2-tetrafluoroethane	cf2clcf2cl
1491	CF3CFCl2	1,1-Dichlorotetrafluoroethane	cf3cfcl2
1492	CF2ClCFCl2	Ethane, 1,1,2-trichloro-1,2,2-trifluoro-	cf2clcfcl2
1493	CF3CCl3	1,1,1-trifluoro-2,2,2-trichloroethane	cf3ccl3
1494	C2Cl6	hexachloroethane	c2cl6
1495	IF7	Iodine heptafluoride	if7
1496	C6H4F2	metadifluorobenzene	mdfb
1497	C6H4F2	orthodifluorobenzene	odfb
1498	C6H4F2	1,4-difluorobenzene	pdfb
1499	C6H4Cl2	1,2-dichlorobenzene	dcb12
1500	C6H4Cl2	1,3-dichlorobenzene	dcb13
1501	C6H4Cl2	1,4-dichlorobenzene	dcb14
1502	C6H5NO	nitrosobenzene	bzno
1503	C9H8	Indene	indene
1504	C9H8	spiro[4.4]nona-1,3,6,8-tetraene	snt
1505	C9H12	n-propyl benzene	prbz
1506	C9H20	Nonane	nonane
1507	C(CN)4	tetracyanomethane	c5n4
1508	C5H4N4	purine	purine
1509	C8H7N	Indole	indole
1510	C3H3N3O3	cyanuric acid	cyanuric
1511	C6H5NO2	Nitrobenzene	c6h5no2
1512	CH3COC6H5	acetophenone	acph
1513	C3Cl3N3	1,3,5-Triazine, 2,4,6-trichloro-	c3cl3n3
1514	C3F6	hexafluoropropene	c3f6
1515	C6H3F3	Benzene trifluoride 123	bzf3a
1516	C8H18O	1-Octanol	octanol
1517	C10H8	Azulene	azu
1518	C10H8	naphthalene	naph
1519	C10H10	bullvalene	bullv
1520	C6N4	Tetracyanoethylene	tcne
1521	C6N4-	tetracyanoethylene anion	tcne-
1522	C10H22	Decane	decane
1523	C4F6	perfluorobutadiene	c4f6
1524	SF5CF3	Sulfur, pentafluoro(trifluoromethyl)-	sf5cf3
1525	C3F8	perfluoropropane	c3f8
1526	Fe(CO)5	Iron pentacarbonyl	ipc
1527	Fe(C5H5)2	ferrocene	fecp2
1528	B12H12--	Dodecahydrododecaborate(2-)	b12h12--
1529	B12H12--	Dodecahydrododecaborate(2-)	b12h12--
1530	C12H8	Acenaphthylene	acenaph
1531	C12H8	biphenylene	biph
1532	C12H10	Heptalene	heptalene
1533	C6H12O6	Inositol	inositol
1534	C6F6	hexafluorobenzene	c6f6
1535	S2F10	disulphur decafluoride	s2f10
1536	C13H10	Fluorene	fluorene
1537	C14H10	Anthracene	anth
1538	C14H10	Phenanthrene	phenanthrene
1539	C14H14	Bibenzyl	bibenzyl
1540	C12H10N2	azobenzene	azobenzene
1541	C6H5COC6H5	benzophenone	benzophenone
1542	C16H10	Pyrene	pyrene
1543	C18H12	Tetracene	tetracene
1544	C19H16	Triphenylmethane	tpm
1545	C24H12	Coronene	coronene
1546	C60	Buckminsterfullerene	c60