National Institute of Standards and Technology
Computational Chemistry Comparison and Benchmark DataBase
Release 22May 2022
NIST Standard Reference Database 101
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III.F.1. (I.A.4.)

List of which calculations are completed at ROMP2 /daug-cc-pVTZ

Jump to calculations not yet done
count Species Name State Conformation
1 H Hydrogen atom 1SKh
2 H- Hydrogen atom anion 2SKh
3 H2- hydrogen diatomic anion 2Σu+D∞h
4 He Helium atom   
5 He+ Helium atom cation 2SKh
6 MgH magnesium monohydride 2ΣC∞v
7 Al- Aluminum atom anion 3PKh
8 Al+ Aluminum atom cation 1SKh
9 Ga Gallium atom 2P 
10 Ga- Gallium atom anion 3POh
11 Ga+ Gallium atom cation 1S 
12 GaH+ Gallium monohydride cation 2ΣC∞v
13 AlH3- aluminum trihydride anion  C3v
14 C Carbon atom 3P0Kh
15 Si- Silicon atom anion 4SKh
16 Ge Germanium atom 3PKh
17 Ge- Germanium anion 4SKh
18 CH Methylidyne 2Π1/2C∞v
19 SiH Silylidyne 2ΠC∞v
20 GeH germylidene 2ΠC∞v
21 SiH3 Silyl radical 2A1C3v
22 GeH3 Germyl radical 2A1C3v
23 GeH3+ germyl cation 1A1'D3h
24 N Nitrogen atom 4SKh
25 As Arsenic atomic 4SKh
26 As- Arsenic anion 3PKh
27 PH phosphorus monohydride 3Σ-C∞v
28 AsH Arsenic monohydride 3ΣC∞v
29 NH2 Amino radical 2B1C2v
30 AsH3+ Arsine cation 2A1C3v
31 NH4 Ammonium radical   
32 PH4 Phosphoranyl radical   
33 O Oxygen atom 3SKh
34 S Sulfur atom 3PKh
35 S- Sulfur atom anion 2PKh
36 Se Selenium atom 3PKh
37 Se- Selenium atom anion 2PKh
38 Se+ Selenium atom cation 4SKh
39 OH Hydroxyl radical 2ΠC∞v
40 OH+ hydoxyl cation 3ΣC∞v
41 HSe Selenium monohydride 2ΠC∞v
42 HSe+ selenium monohydride cation 3ΣC∞v
43 H2O Water 1A1C2v
44 H2O- water anion 2A1C2v
45 H2O- water anion 2A'Cs
46 H2Se Hydrogen selenide 1A1C2v
47 H2Se+ Hydrogen selenide cation 2B1C2v
48 F Fluorine atom 2PKh
49 F- Fluorine atom anion 1SKh
50 Cl Chlorine atom 2PKh
51 Br Bromine atom 2PKh
52 Br- Bromine atom anion 1SKh
53 Br+ Bromine atom cation 3PKh
54 HF- hydrogen fluoride anion 2ΣC∞v
55 HF+ hydrogen fluoride cation 2ΠC∞v
56 HCl- hydrogen chloride anion 2ΣC∞v
57 HCl+ hydrogen chloride cation 2ΠC∞v
58 HBr- hydrogen bromide anion 2ΣC∞v
59 HBr+ hydrogen bromide cation 2ΠC∞v
60 Ne Neon atom   
61 Na2- sodium diatomic anion 2ΣuD∞h
62 HBBH Diborane(2) 3ΣGD∞h
63 B2H6+ Diborane cation   
64 GeC Germanium monocarbide 1ΣC∞v
65 SiGe Silicon Germanium   
66 C2H2+ acetylene cation 2ΠuD∞h
67 C2H4 Ethylene 1AgD2h
68 LiN Lithium Nitride 3ΣC∞v
69 MgN Magnesium Nitride   
70 GaAs Gallium arsenide 3Π 
71 GaAs Gallium arsenide 1Σ 
72 CN Cyano radical 2ΣC∞v
73 SiP Silicon monophosphide 2ΠC∞v
74 N2 Nitrogen diatomic   
75 N2- nitrogen diatomic anion 2ΠgD∞h
76 HNC+ hydrogen isocyanide cation   
77 HCP+ Phosphaethyne cation   
78 CH2NH+ Methanimine cation   
79 CHNH2+ Aminocarbene cation   
80 LiSe Lithium monoselenide   
81 GaO Gallium monoxide 2ΣC∞v
82 GaS Gallium monosulfide   
83 CO- carbon monoxide anion 2ΠC∞v
84 CO+ carbon monoxide cation 2ΣC∞v
85 SiSe+ Silicon Monoselenide cation   
86 NO Nitric oxide 2ΠC∞v
87 PS phosphorus sulfide 2ΣC∞v
88 O2 Oxygen diatomic 3ΣgD∞h
89 O2- oxygen diatomic anion 2ΠD∞h
90 SO Sulfur monoxide 3ΣC∞v
91 SO Sulfur monoxide 1ΣC∞v
92 SO+ sulfur monoxide cation 2ΠC∞v
93 S2 Sulfur diatomic 3ΣgD∞h
94 SeO Selenium monoxide 3ΣC∞v
95 Se2 Selenium diatomic 3ΣgD∞h
96 BeOH beryllium monohydroxide 2A'Cs
97 COH Hydroxymethylidyne   
98 HCO Formyl radical 2A'Cs
99 HCO+ Formyl cation 1ΣC∞v
100 HNO Nitrosyl hydride 1A'Cs
101 HNO+ Nitrosyl hydride cation 2A'Cs
102 SOH Sulfur Hydroxide   
103 SOH+ Sulfur Monoxide, protonated   
104 H2CO- formaldehyde anion 2A'Cs
105 H2CO- formaldehyde anion   
106 H2CO+ formaldehyde cation 2B2C2v
107 NH2OH+ Hydroxylamine cation   
108 CH3OH Methyl alcohol 1A'Cs
109 CH3OH+ Methyl alcohol cation 2A"Cs
110 NH2OH2+ protonated hydroxylamine   
111 NH3OH+ N-protonated hydroxylamine   
112 NaF+ sodium fluoride cation 2ΣC∞v
113 LiF+ lithium fluoride cation 2ΠC∞v
114 GaF Gallium monofluoride 1ΣC∞v
115 GaCl Gallium monochloride 1ΣGC∞v
116 CF Fluoromethylidyne 2ΠC∞v
117 SiCl Clorosilylidyne 2ΠC∞v
118 GeF Germanium monofluoride 2ΠC∞v
119 GeCl Germanium monochloride 2ΠC∞v
120 SiBr+ Silicon monobromide cation   
121 PBr Phosphorus monobromide   
122 ClO Monochlorine monoxide 2ΠC∞v
123 ClO+ chlorine monoxide cation 3ΣC∞v
124 SF Monosulfur monofluoride 2ΠC∞v
125 SF+ sulfur monofluoride cation 3ΣC∞v
126 SCl+ sulfur monochloride cation 3ΣgC∞v
127 BrO Bromine monoxide 2ΠC∞v
128 BrO+ Bromine monoxide cation   
129 SBr Sulfur monobromide radical   
130 SBr+ Sulfur monobromide cation   
131 SeBr Selenium monobromide   
132 F2- flourine diatomic anion 2ΣuD∞h
133 F2+ flourine diatomic cation 2ΠgD∞h
134 ClF+ clorine monofluoride cation 2ΠC∞v
135 Cl2+ chlorine diatomic cation 2ΠgD∞h
136 Br2- bromine diatomic anion 2ΣuD∞h
137 Br2+ bromine diatomic cation 2ΠgD∞h
138 HCF Fluoromethylene 3A"Cs
139 HOCl+ hypochlorous acid cation   
140 CH2Br bromomethyl radical   
141 CH2Cl chloromethyl radical 2A'Cs
142 CH2Cl chloromethyl radical 2B1C2v
143 CH3F+ methyl fluoride cation   
144 CH3Cl+ Methyl chloride cation   
145 CH3Br methyl bromide 1A1C3v
146 C3H7 n-Propyl radical 2A"C1
147 CNN Diazocarbene   
148 HN3 hydrogen azide 1A'Cs
149 HN3+ Hydrazoic acid cation   
150 CH3CN- acetonitrile anion 2EC3v
151 CH3CN- acetonitrile anion 2A'Cs
152 HCNCH2+ 2H-Azirine cation   
153 LiO2 Lithium dioxide   
154 NaO2 Sodium superoxide   
155 NSO sulfinyl amidogen   
156 SNO Nitrogen oxide sulfide   
157 SO2 Sulfur dioxide 1A1C2v
158 HCCO ketenyl radical 2ΠC∞v
159 HCCO ketenyl radical 2A"Cs
160 HOCO Hydrocarboxyl radical 1A'cis
161 HOCO Hydrocarboxyl radical 1A'trans
162 C2H4O+ ethylene oxide cation   
163 CH3CHO+ acetaldehyde cation   
164 H2COCH2+ Methyl, (methyleneoxoniumyl)-   
165 FOO+ Fluorine dioxide cation   
166 OClO Chlorine dioxide 2B1D∞h
167 BrOO Bromine dioxide   
168 OBrO Bromine dioxide radical 2B1C2v
169 PF2 Phosphorus difluoride   
170 CHF2 difluoromethyl radical 2ACs
171 CHFCl Chlorofluoromethyl radical   
172 CH2CHF Ethene, fluoro- 1A'Cs
173 C4 Carbon tetramer 3ΣgD∞h
174 C4H2+ diacetlyene cation 2ΠgD∞h
175 C2H2O2 Ethanedial 1AgC2h
176 CF2O+ Carbonic difluoride cation   
177 BF3+ boron trifluoride cation   
178 BCl3+ Boron Trichloride cation   
179 CF2Cl difluorochloromethyl radical   
180 CFCl2 dichlorofluoromethyl radical   
181 NF3 Nitrogen trifluoride 1A1C3v
182 NBr3 Nitrogen Tribromide 1A1C3v
183 C2H4F2 1,2-difluoroethane 1AgC2H anti
184 C6H5CHO benzaldehyde 1A'Cs

Species NOT done yet
count Species Name file name problem
1 D Deuterium atom d  
2 D- Deuterium atom anion d-  
3 D+ Deuterium atom cation d+  
4 H+ Hydrogen atom cation h+  
5 D2 Deuterium diatomic d2  
6 H2 Hydrogen diatomic h2  
7 H2+ Hydrogen cation h2+  
8 HD Deuterium hydride hd  
9 H3+ hydrogen trimer cation h3+  
10 He Helium atom he  
11 He- Helium atom anion he-  
12 HeH Helium hydride heh  
13 HeH+ Helium hydride cation heh+  
14 He2+ helium diatomic cation he2+  
15 Li Lithium atom li  
16 Li- Lithium atom anion li-  
17 Li+ Lithium atom cation li+  
18 Na Sodium atom na  
19 Na- Sodium atom anion na-  
20 Na+ Sodium atom cation na+  
21 K Potassium atom k  
22 K- Potassium atom anion k-  
23 K+ Potassium atom cation k+  
24 Cu Copper atom cu  
25 Cu- Copper atom anion cu-  
26 Cu+ Copper atom cation cu+  
27 LiH Lithium Hydride lih  
28 LiH- lithium hydride anion lih-  
29 LiH+ lithium hydride cation lih+  
30 NaH sodium hydride nah  
31 NaH- sodium hydride anion nah-  
32 NaH+ sodium hydride cation nah+  
33 KH Potassium hydride kh  
34 KH+ Potassium hydrogen cation kh+  
35 CuH Copper monohydride cuh  
36 Be Beryllium atom be  
37 Be- Beryllium atom anion be-  
38 Be+ Beryllium atom cation be+  
39 Mg Magnesium atom mg  
40 Mg- Magnesium atom anion mg-  
41 Mg+ Magnesium atom cation mg+  
42 Ca Calcium atom ca  
43 Ca- Calcium atom anion ca-  
44 Ca+ Calcium atom cation ca+  
45 Zn Zinc atom zn  
46 Zn- Zinc atom anion zn-  
47 Zn+ Zinc atom cation zn+  
48 BeH beryllium monohydride beh  
49 BeH- berylium monohydride anion beh-  
50 BeH+ beryllium monohydride cation beh+  
51 MgH- magnesium monohydride anion mgh-  
52 MgH+ magnesium monohydride cation mgh+  
53 CaH Calcium monohydride cah  
54 CaH+ Calcium monohydride cation cah+  
55 TiH Titanium monohydride tih  
56 ZnH Zinc monohydride znh  
57 ZnH+ Zinc, protonated znh+  
58 BeH2 beryllium dihydride beh2  
59 BeH2+ Beryllium dihydride cation beh2+  
60 MgH2 magnesium dihydride mgh2  
61 CaH2 Calcium Hydride cah2  
62 ZnH2 Zinc hydride znh2  
63 B Boron atom b  
64 B- Boron atom anion b-  
65 B+ Boron atom cation b+  
66 Al Aluminum atom al  
67 Sc Scandium atom sc  
68 Sc+ Scandium cation sc+  
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 BH2 boron dihydride bh2  
79 BH2- boron dihydride anion bh2-  
80 BH2+ Boron dihydride cation bh2+  
81 AlH2 aluminum dihydride alh2  
82 AlH2- aluminum dihydride anion alh2-  
83 AlH2+ aluminum dihydride cation alh2+  
84 BH3 boron trihydride bh3  
85 BH3- boron trihydride anion bh3-  
86 BH3+ boron trihydride cation 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 BH4- borohydride anion bh4-  
93 AlH4- Aluminum tetrahydride anion alh4-  
94 C- Carbon atom anion c-  
95 C+ Carbon atom cation c+  
96 Si Silicon atom si  
97 Si+ Silicon atom cation si+  
98 Ti Titanium atom ti  
99 Ti- Titanium atom anion ti-  
100 Ti+ Titanium atom cation ti+  
101 Ge+ Germanium cation ge+  
102 Sn Tin atom sn  
103 Sn+ Tin cation sn+  
104 CH- methylidyne anion ch-  
105 CH+ Methylidyne cation ch+  
106 SiH- silicon monohydride anion sih-  
107 SiH+ silicon monohydride cation sih+  
108 GeH+ Germaniun monohyrdide cation geh+  
109 CH2 Methylene ch2  
110 CH2- methylene anion ch2-  
111 CH2+ methylene cation ch2+  
112 SiH2 silicon dihydride sih2  
113 SiH2- silicon dihydride anion sih2-  
114 SiH2+ silicon dihydride cation sih2+  
115 GeH2 germylene geh2  
116 GeH2- germylene anion geh2-  
117 CH3 Methyl radical ch3  
118 CH3- methyl anion ch3-  
119 CH3+ methyl cation ch3+  
120 SiH3- Silyl anion sih3-  
121 SiH3+ Silyl cation sih3+  
122 CD4 methane-d4 cd4  
123 CH2D2 methane-d2 ch2d2  
124 CH3D methane-d ch3d  
125 CH4 Methane ch4  
126 CH4- Methane anion ch4-  
127 CH4+ Methane cation ch4+  
128 CHD3 methane-d3 chd3  
129 SiH2D2 silane-d2 sih2d2  
130 SiH4 Silane sih4  
131 SiH4+ Silane cation sih4+  
132 GeH4 Germane geh4  
133 SnH4 Stannane snh4  
134 SiH5+ Silane, protonated sih5+  
135 N- Nitrogen atom anion n-  
136 N+ Nitrogen atom cation n+  
137 P Phosphorus atom p  
138 P- Phosphorus atom anion p-  
139 P+ Phosphorus atom cation p+  
140 V Vanadium atom v  
141 V+ Vanadium atom cation v+  
142 As+ Arsenic cation as+  
143 Sb Antimony atom sb  
144 NH Imidogen nh  
145 NH- Imidogen anion nh-  
146 NH+ imidogen cation nh+  
147 PH- phosphorus monohydride anion ph-  
148 PH+ phosphorus monohydride cation ph+  
149 AsH+ Arsenic monohydride cation ash+  
150 SbH Antimony monohydride sbh  
151 ND2 Amidogen-d2 nd2  
152 NH2- amino anion nh2-  
153 NH2+ Amino cation nh2+  
154 PH2 Phosphino radical ph2  
155 PH2- Phosphino anion ph2-  
156 PH2+ Phosphino cation ph2+  
157 AsH2 Arsenic dihydride ash2  
158 AsH2+ Arsenic dihydride cation ash2+  
159 ND3 Ammonia-d3 nd3  
160 NH3 Ammonia nh3  
161 NH3- Ammonia anion nh3-  
162 NH3+ ammonia cation nh3+  
163 PH3 Phosphine ph3  
164 PH3+ Phosphine cation ph3+  
165 AsH3 Arsine ash3  
166 SbH3 Stibine sbh3  
167 AsH4+ Arsonium ash4+  
168 NH4+ ammonium cation nh4+  
169 PH4+ phosphonium cation ph4+  
170 O- Oxygen atom anion o-  
171 O+ Oxygen atom cation o+  
172 S+ Sulfur atom cation s+  
173 Cr Chromium atom cr  
174 Te Tellurium atom te  
175 Te+ Tellurium atom cation te+  
176 DO Hydroxyl-d od  
177 OH- hydroxide anion oh-  
178 DS Mercapto-d ds  
179 HS Mercapto radical hs  
180 HS- mercapto anion sh-  
181 HS+ sulfur monohydride cation sh+  
182 CrH Chromium hydride crh  
183 CrH+ Chromium hydride cation crh+  
184 HSe- selenium monohydride anion hse-  
185 TeH Telluryl radical teh  
186 D2O Deuterium oxide d2o  
187 H2O+ water cation h2o+  
188 HDO Water-d1 hdo  
189 D2S Hydrogen sulfide-d2 d2s  
190 H2S Hydrogen sulfide h2s  
191 H2S- Hydrogen sulfide anion h2s-  
192 H2S+ Hydrogen sulfide cation h2s+  
193 H2Te Hydrogen Telluride h2te  
194 H3O+ hydronium cation h3o+  
195 H3S+ Sulfonium cation h3s+  
196 H3Se+ Hydrogen Selenide, protonated h3se+  
197 F+ Fluorine atom cation f+  
198 Cl- Chlorine atom anion cl-  
199 Cl+ Chlorine atom cation cl+  
200 Mn Manganese atom mn  
201 I Iodine atom iodine  
202 I- Iodine atom anion iodine-  
203 I+ Iodine atom cation iodine+  
204 DF Hydrofluoric acid-d df  
205 HF Hydrogen fluoride hf  
206 DCl Hydrochloric acid-d dcl  
207 HCl Hydrogen chloride hcl  
208 HBr hydrogen bromide hbr  
209 HI Hydrogen iodide hi  
210 HI+ Hydrogen iodide cation hi+  
211 H2F+ dihydrogen fluoride cation h2f+  
212 H2Cl+ dihydrogen monochloride cation h2cl+  
213 H2Br+ protonated hydrogen bromide h2br+  
214 H2I+ Iodonium h2i+  
215 Ne Neon atom ne  
216 Ne- Neon atom anion ne-  
217 Ne+ Neon atom cation ne+  
218 Ar Argon atom ar  
219 Ar- Argon atom anion ar-  
220 Ar+ Argon atom cation ar+  
221 Fe Iron atom fe  
222 Kr Krypton atom kr  
223 Kr+ Krypton cation kr+  
224 Xe Xenon atom xe  
225 HeLi+ Helium Lithium cation heli+  
226 NeH neon hydrogen neh  
227 NeH+ neon hydrogen cation neh+  
228 ArH+ Argon hydride cation arh+  
229 KrH+ Protonated Krypton krh+  
230 XeH+ Xenon, protonated xeh+  
231 H2Ar H2 Ar dimer h2ar  
232 Co Cobalt atom cobalt  
233 Ni Nickel atom ni  
234 Li2 Lithium diatomic li2  
235 Li2- lithium diatomic anion li2-  
236 Li2+ lithium diatomic cation li2+  
237 NaLi lithium sodium lina  
238 NaLi- lithium sodium anion lina-  
239 NaLi+ lithium sodium cation lina+  
240 LiK Lithium Potassium lik  
241 Na2 Sodium diatomic na2  
242 Na2+ sodium diatomic cation na2+  
243 NaK Sodium Potassium nak  
244 NaK+ Sodium Potassium diatomic cation nak+  
245 K2 Potassium diatomic k2  
246 Cu2 Copper diatomic cu2  
247 LiBe Lithium Beryllium libe  
248 LiMg Lithium magnesium limg  
249 NaBe Sodium Beryllium nabe  
250 NaMg Sodium Magnesium namg  
251 Be2 Beryllium diatomic be2  
252 Be2- Beryllium diatomic anion be2-  
253 Be2+ Beryllium diatomic cation be2+  
254 BeMg Beryllium Magnesium bemg  
255 Mg2 Magnesium diatomic mg2  
256 Mg2- magnesium diatomic anion mg2-  
257 Mg2+ magnesium diatomic cation mg2+  
258 Ca2 Calcium diatomic ca2  
259 LiB Lithium boride lib  
260 LiAl Lithium Aluminum lial  
261 NaAl Sodium aluminum naal  
262 BeB Beryllium monoboride beb  
263 B2 Boron diatomic b2  
264 B2- Boron diatomic anion b2-  
265 B2+ Boron diatomic cation b2+  
266 BAl Boron Aluminum bal  
267 Al2 Aluminum diatomic al2  
268 Al2- aluminum diatomic anion al2-  
269 Al2+ aluminum diatomic cation al2+  
270 BGa Boron Gallium bga  
271 AlGa Aluminum Gallium alga  
272 Ga2 Gallium diatomic ga2  
273 LiBH4 Lithium borohydride libh4  
274 B2H4 Diborane(4) D2d b2h4  
275 HBHHBH Diborane(4) C2V hbhhbh  
276 B2H6 Diborane b2h6  
277 Al2H6 dialane al2h6  
278 Ga2H6 digallane ga2h6  
279 LiC Lithium Carbide lic  
280 BeC Beryllium Carbide bec  
281 CaC Calcium monocarbide cac  
282 BC boron monocarbide bc  
283 BC- boron monocarbide anion bc-  
284 BC+ boron monocarbide cation bc+  
285 AlC Aluminum carbide alc  
286 BSi Boron silicide bsi  
287 C2 Carbon diatomic c2  
288 C2- carbon diatomic anion c2-  
289 C2+ carbon diatomic cation c2+  
290 SiC silicon monocarbide sic  
291 SiC- silicon monocarbide anion sic-  
292 SiC+ silicon monocarbide cation sic+  
293 Si2 Silicon diatomic si2  
294 Si2- silcon diatomic anion si2-  
295 Si2+ silcon diatomic cation si2+  
296 Ge2 Germanium diatomic ge2  
297 C2H Ethynyl radical c2h  
298 C2H- Ethynyl anion c2h-  
299 C2H+ Ethynyl cation c2h+  
300 ZnCH2 Zinc methylene znch2  
301 C2H2 Acetylene c2h2  
302 CCH2 vinylidene vinylidene  
303 H2CC- vinylidene anion h2cc-  
304 HCCH- acetylene anion c2h2-  
305 Si2H2 disilyne si2h2  
306 CH3Li methyl lithium ch3li  
307 CuCH3 monomethyl copper cuch3  
308 ZnCH3 Zinc monomethyl znch3  
309 CH2BH methyleneborane ch2bh  
310 C2H3 vinyl c2h3  
311 C2H3- vinyl anion c2h3-  
312 C2H3+ vinyl cation c2h3+  
313 C2H4- Ethylene anion c2h4-  
314 C2H4+ Ethylene cation c2h4+  
315 CH3CH methylmethylene ch3ch  
316 CH2SiH2 silaethylene ch2sih2  
317 Si2H4 Disilene si2h4  
318 CH3BH2 methylborane ch3bh2  
319 C2H5 Ethyl radical c2h5  
320 C2H5- Ethyl anion c2h5-  
321 C2H5+ Ethyl cation c2h5+  
322 C2H6 Ethane c2h6  
323 C2H6+ ethane cation c2h6+  
324 CH3SiH3 methyl silane ch3sih3  
325 Si2H6 disilane si2h6  
326 GeH3CH3 methyl germane geh3ch3  
327 C2H7+ Ethane, protonated c2h7+  
328 LiN+ Lithium Nitride cation lin+  
329 LiP Lithium monophosphide lip  
330 BeN Beryllium mononitride ben  
331 BeN- Beryllium mononitride anion ben-  
332 BeN+ Beryllium mononitride cation ben+  
333 BN- boron nitride anion bn-  
334 AlN- aluminum mononitride anion aln-  
335 AlN+ aluminum mononitride cation aln+  
336 BP Boron monophosphide bp  
337 AlP Aluminum monophosphide alp  
338 GaN Gallium mononitride gan  
339 GaP Gallium monophosphide gap  
340 BN boron nitride bn  
341 BN+ boron nitride cation bn+  
342 AlN Aluminum nitride aln  
343 CN- cyanide anion cn-  
344 CN+ Cyano cation cn+  
345 CP Carbon monophosphide cp  
346 CP- carbon monophosphide anion cp-  
347 CP+ carbon monophosphide cation cp+  
348 SiN Silicon nitride sin  
349 SiN- silicon mononitride anion sin-  
350 SiN+ silicon mononitride cation sin+  
351 SiP- Silicon monophosphide anion sip-  
352 SiP+ Silicon monophosphide cation sip+  
353 TiN Titanium mononitride tin  
354 N2 Nitrogen diatomic n2  
355 N2+ diatomic nitrogen cation n2+  
356 PN Phosphorus mononitride pn  
357 PN- phosphorus nitride anion pn-  
358 PN+ phosphorus nitride cation pn+  
359 P2 Phosphorus diatomic p2  
360 P2- phosphorus diatomic anion p2-  
361 P2+ phosphorus diatomic cation p2+  
362 AsN Arsenic mononitride asn  
363 AsP Arsenic monophosphide asp  
364 SbN Antimony nitride sbn  
365 As2 Arsenic diatomic as2  
366 HNB hydrogen nitrogen boron hnb  
367 HNC hydrogen isocyanide hnc  
368 HCN Hydrogen cyanide hcn  
369 HCN- Hydrogen cyanide anion hcn-  
370 HCN+ hydrogen cyanide cation hcn+  
371 HCP Phosphaethyne hcp  
372 NNH Dinitrogen monohydride nnh  
373 NNH+ Dinitrogen monohydride cation nnh+  
374 HPO Hydrogen phosphorus oxide hpo  
375 HPO+ Hydrogen phosphorus oxide cation hpo+  
376 LiNH2 lithium amide linh2  
377 HBNH Boranimine hbnh  
378 CNH2 Aminomethylidyne radical cnh2  
379 CNH2+ N-protonated hydrogen isocyanide cnh2+  
380 H2CN Dihydrogen cyanide radical h2cn  
381 H2CN+ hydrocyanonium cation h2cn+  
382 HCNH methyleneazane hcnh  
383 HCNH+ N-protonated HCN hcnh+  
384 H2NN Isodiazene h2nn  
385 N2H2 (E)-diazene n2h2  
386 N2H2 (Z)-Diazene n2h2z  
387 N2H2+ trans-diazene cation n2h2+  
388 CH2NH Methanimine ch3n  
389 CHNH2 aminomethylene chnh2  
390 CH2PH Phosphaethene ch3p  
391 BH2NH2 Boranamine bh2nh2  
392 CH2NH2+ methyleneamine cation ch2nh2+  
393 N2H4 Hydrazine n2h4  
394 N2H4+ hydrazine cation n2h4+  
395 P2H4 Diphosphine p2h4  
396 CH3NH2 methyl amine ch3nh2  
397 CH3NH2+ methyl amine cation ch3nh2+  
398 CH3PH2 Methyl phosphine ch3ph2  
399 SiH3NH2 Silane, amino sih3nh2  
400 N2H5+ protonated hydrazine n2h5+  
401 BH3PH3 borane phosphine bh3ph3  
402 BH3NH3 borane ammonia bh3nh3  
403 CH3NH3 methyl ammonium radical ch3nh3  
404 CH3NH3+ protonated methylamine ch3nh3+  
405 CH3PH3+ methyl phosphine, protonated ch3ph3+  
406 NH3NH3 Ammonia Dimer nh3nh3  
407 N2H7+ ammonia ammonium dimer n2h7+  
408 LiO lithium oxide lio  
409 LiO- lithium oxide anion lio-  
410 LiO+ lithium oxide cation lio+  
411 LiS Lithium monosulfide lis  
412 LiS+ Lithium sulfide cation lis+  
413 NaO sodium monoxide nao  
414 NaO- sodium oxide anion nao-  
415 NaO+ sodium oxide cation nao+  
416 KO Potassium monoxide ko  
417 KO+ Potassium monoxide cation ko+  
418 NaS Sodium sulfide nas  
419 CuO Copper Monoxide cuo  
420 BeO beryllium oxide beo  
421 BeO- Beryllium monoxide anion beo-  
422 BeO+ Beryllium monoxide cation beo+  
423 BeS beryllium sulfide bes  
424 MgO magnesium oxide mgo  
425 MgO- magnesium oxide anion mgo-  
426 MgO+ magnesium oxide cation mgo+  
427 CaO Calcium monoxide cao  
428 MgS magnesium sulfide mgs  
429 MgS- magnesium sulfide anion mgs-  
430 MgS+ magnesium sulfide cation mgs+  
431 CaS Calcium sulfide cas  
432 ZnO zinc monoxide zno  
433 ZnS Zinc sulfide zns  
434 BeS- Beryllium monosulfide anion bes-  
435 BeS+ Beryllium monosulfide cation bes+  
436 BO boron monoxide bo  
437 BO- boron monoxide anion bo-  
438 AlO Aluminum monoxide alo  
439 AlO- Aluminum monoxide anion alo-  
440 AlO+ aluminum monoxide cation alo+  
441 BS boron sulfide bs  
442 BS- boron monosulfide anion bs-  
443 BS+ boron monosulfide cation bs+  
444 AlS Aluminum sulfide als  
445 AlS- aluminum monosulfide anion als-  
446 AlS+ aluminum monosulfide cation als+  
447 ScO Scandium monoxide sco  
448 BO+ boron monoxide cation bo+  
449 CO Carbon monoxide co  
450 CS carbon monosulfide cs  
451 CS- carbon monosulfide anion cs-  
452 CS+ carbon monosulfide cation cs+  
453 SiO Silicon monoxide sio  
454 SiO- silicon monoxide anion sio-  
455 SiO+ silicon monoxide cation sio+  
456 SiS silicon monosulfide sis  
457 SiS- silicon monosulfide anion sis-  
458 SiS+ silicon monosulfide cation sis+  
459 TiO Titanium monoxide tio  
460 CSe Carbon monoselenide cse  
461 CSe- Carbon monoselenide anion cse-  
462 CSe+ Carbon monoselenide cation cse+  
463 GeO Germanium monoxide geo  
464 GeO+ Germanium monoxide cation geo+  
465 GeS Germanium monosulfide ges  
466 SiSe Silicon Monoselenide sise  
467 GeSe Germanium monoselenide gese  
468 NO- nitric oxide anion no-  
469 NO+ nitric oxide cation no+  
470 NS Mononitrogen monosulfide ns  
471 NS- nitrogen sulfide anion ns-  
472 NS+ nitrogen sulfide cation ns+  
473 PO Phosphorus monoxide po  
474 PO- phosphorus monoxide anion po-  
475 PO+ phosphorus monoxide cation po+  
476 PS- phosphorus monosulfide anion ps-  
477 PS+ phosphorus monosulfide cation ps+  
478 VO Vanadium monoxide vo  
479 AsO Arsenic monoxide aso  
480 NSe Nitrogen monoselenide nse  
481 AsS Arsenic monosulfide ass  
482 PSe Phosphorus monoselenide pse  
483 AsSe Arsenic monoselenide asse  
484 O2-- dioxygen dianion o2--  
485 O2+ diatomic oxygen cation o2+  
486 SO- sulfur monoxide anion so-  
487 S2- sulfur diatomic anion s2-  
488 S2+ sulfur diatomic cation s2+  
489 SeO- selenium monoxide anion seo-  
490 SeO+ selenium monoxide cation seo+  
491 SeS Selenium monosulfide ses  
492 SeS- selenium monosulfide anion ses-  
493 SeS+ selenium monosulfide cation ses+  
494 TeO Tellurium monoxide teo  
495 Se2- selenium diatomic anion se2-  
496 Se2+ selenium diatomic cation se2+  
497 Te2 Tellurium diatomic te2  
498 LiOH lithium hydroxide lioh  
499 NaOH sodium hydroxide naoh  
500 KOH Potassium hydroxide koh  
501 MgOH magnesium hydroxide mgoh  
502 CaOH Calcium monohydroxide caoh  
503 HBO Boron hydride oxide hbo  
504 HBS hydrogen boron sulfide hbs  
505 COH+ Carbon Monoxide, protonated coh+  
506 HCO- formyl anion hco-  
507 HCS Thioformyl radical hcs  
508 HCS- Thioformyl anion hcs-  
509 HCS+ Thioformyl cation hcs+  
510 HNO- Nitrosyl hydride anion hno-  
511 NOH Hydroxyimidogen noh  
512 NOH+ O-protonated nitric oxide noh+  
513 HNS Sulfur imide hns  
514 HNS- Sulfur imide anion hns-  
515 HO2 Hydroperoxy radical ho2  
516 HO2- Hydroperoxy anion ho2-  
517 HO2+ Hydroperoxy cation ho2+  
518 HSO+ Sulfur Monoxide, S-protonated HSO+  
519 HS2 Thiosulfeno radical hs2  
520 H2CO Formaldehyde h2co  
521 HOCH hydroxycarbene hoch  
522 H2CS Thioformaldehyde h2cs  
523 H2CS- thioformaldehyde anion h2cs-  
524 H2CS+ thioformaldehyde cation h2cs+  
525 H2CSe Selenoformaldehyde h2cse  
526 H2NO nitroxide h2no  
527 H2O2 Hydrogen peroxide h2o2  
528 H2O2+ Hydrogen peroxide cation h2o2+  
529 H2OO water oxide h2oo  
530 HOSH hydrogen thioperoxide hosh  
531 H2S2 Disulfane h2s2  
532 H2S2+ hydrogen disulfide cation h2s2+  
533 H2Se2 hydrogen diselenide h2se2  
534 CH2OH Hydroxymethyl radical ch2oh  
535 CH2OH+ hydroxymethyl cation ch2oh+  
536 CH3O Methoxy radical ch3o  
537 CH3O- methoxy anion ch3o-  
538 CH3O+ Methoxy cation ch3o+  
539 CH3S thiomethoxy ch3s  
540 H2CSH+ Thioformaldehyde, protonated h2csh+  
541 NH2OH hydroxylamine nh2oh  
542 NH3O Ammonia Oxide nh3o  
543 H2POH Phosphinous acid h2poh  
544 H3PO Phosphine oxide h3po  
545 NH2SH Thiohydroxylamine nh2sh  
546 NH3S sulfidoazane nh3s  
547 H3O2+ hydrogen peroxide, protonated h3o2+  
548 CH3OH- Methyl alcohol anion ch3oh-  
549 CH3SH Methanethiol ch3sh  
550 CH3SH+ Methanethiol cation ch3sh+  
551 SiH3OH silanol sih3oh  
552 CH3SeH Methane selenol ch3seh  
553 H2OH2O water dimer h2oh2o  
554 CH3OH2+ Methanol, protonated ch3oh2+  
555 CH3SH2+ protonated methylsulfide ch3sh2+  
556 H2ONH3 Water Ammonia Dimer h2onh3  
557 H5O2+ Dihydroxonium ion h5o2+  
558 LiF lithium fluoride lif  
559 LiCl lithium chloride licl  
560 LiCl- lithium chloride anion licl-  
561 LiCl+ lithium chloride cation licl+  
562 NaF sodium fluoride naf  
563 NaF- sodium fluoride anion naf-  
564 KF Potassium Fluoride kf  
565 NaCl Sodium Chloride nacl  
566 NaCl- sodium chloride anion nacl-  
567 NaCl+ sodium chloride cation nacl+  
568 KCl Potassium Chloride kcl  
569 CuF Copper monofluoride cuf  
570 LiBr Lithium Bromide libr  
571 LiBr- lithium bromide anion libr-  
572 LiBr+ lithium bromide cation libr+  
573 CuCl Copper monochloride cucl  
574 NaBr Sodium Bromide nabr  
575 NaBr- sodium bromide anion nabr-  
576 NaBr+ sodium bromide cation nabr+  
577 KBr Potassium Bromide kbr  
578 LiI Lithium Iodide lii  
579 NaI Sodium Iodide nai  
580 KI Potassium Iodide ki  
581 LiF- lithium fluoride anion lif-  
582 BeF Beryllium monofluoride bef  
583 BeF- Beryllium monofluoride anion bef-  
584 BeF+ Beryllium monofluoride cation bef+  
585 BeCl beryllium monochloride becl  
586 MgF Magnesium monofluoride mgf  
587 MgF- magnesium fluoride anion mgf-  
588 MgF+ magnesium fluoride cation mgf+  
589 CaF Calcium monofluoride caf  
590 MgCl magnesium monochloride mgcl  
591 MgCl- magnesium monochloride anion mgcl-  
592 MgCl+ magnesium monochloride cation mgcl+  
593 CaCl calcium monochloride cacl  
594 TiCl Titanium Monochloride ticl  
595 ZnF Zinc monofluoride znf  
596 ZnF- Zinc monofluoride anion znf-  
597 ZnF+ Zinc monofluoride cation znf+  
598 ZnCl Zinc monochloride zncl  
599 CaBr Calcium monobromide cabr  
600 BeCl- beryllium monochloride anion becl-  
601 BeCl+ beryllium monochloride cation becl+  
602 BF Boron monofluoride bf  
603 BF- Boron monofluoride anion bf-  
604 BF+ Boron monofluoride cation bf+  
605 AlF Aluminum monofluoride alf  
606 AlF- Aluminum monofluoride anion alf-  
607 AlF+ Aluminum monofluoride cation alf+  
608 BCl boron monochloride bcl  
609 BCl- boron monochloride anion bcl-  
610 BCl+ boron monochloride cation bcl+  
611 AlCl Aluminum monochloride alcl  
612 AlCl- aluminum monochloride anion alcl-  
613 AlCl+ aluminum monochloride cation alcl+  
614 ScF Scandium monofluoride scf  
615 BBr Boron monobromide bbr  
616 GaF+ Gallium monofluoride cation gaf+  
617 AlBr Aluminum monobromide albr  
618 GaCl+ Gallium monochloride cation gacl+  
619 AlI Aluminum monoiodide ali  
620 GaBr Gallium monobromide gabr  
621 CF- carbon monofluoride anion cf-  
622 CF+ carbon monofluoride cation cf+  
623 CCl carbon monochloride ccl  
624 CCl- carbon monochloride anion ccl-  
625 CCl+ carbon monochloride cation ccl+  
626 SiF silicon monofluoride sif  
627 SiF- silicon monofluoride anion sif-  
628 SiF+ silicon monofluoride cation sif+  
629 SiCl- silicon monochloride anion sicl-  
630 SiCl+ silicon monochloride cation sicl+  
631 CBr Carbon monobromide cbr  
632 GeF+ Germanium monofluoride cation gef+  
633 GeCl+ Germanium monochloride cation gecl+  
634 SiBr Silicon monobromide sibr  
635 NF nitrogen fluoride nf  
636 NF- nitrogen monofluorine anion nf-  
637 NF+ nitrogen monofluoirde cation nf+  
638 NCl nitrogen monochloride ncl  
639 NCl- nitrogen monochloride anion ncl-  
640 NCl+ nitrogen monochloride cation ncl+  
641 PF phosphorus monofluoride pf  
642 PF- phosphorus monofluoride anion pf-  
643 PF+ phosphorus monofluoride cation pf+  
644 PCl phosphorus chloride pcl  
645 PCl- phosphorus monochloride anion pcl-  
646 PCl+ phosphorus monochloride cation pcl+  
647 AsF Arsenic monofluoride asf  
648 NBr nitrogen monobromide nbr  
649 AsCl Arsenic monochloride ascl  
650 SbF Antimony monofluoride sbf  
651 SbCl Antimony monochloride sbcl  
652 FO Oxygen monofluoride fo  
653 FO- flourine oxide anion fo-  
654 FO+ fluorine monoxide cation fo+  
655 ClO- chlorine monoxide anion clo-  
656 SF- sulfur monofluoride anion sf-  
657 SCl sulfur monochloride scl  
658 SCl- sulfur monochloride anion scl-  
659 BrO- Bromine monoxide anion bro-  
660 SeF Selenium monofluoride sef  
661 SeCl Selenium monochloride secl  
662 IO Iodine monoxide io  
663 BrCl Bromine monochloride brcl  
664 F2 Fluorine diatomic f2  
665 ClF Chlorine monofluoride clf  
666 ClF- clorine monofluoride anion clf-  
667 Cl2 Chlorine diatomic cl2  
668 Cl2- chlorine diatomic anion cl2-  
669 BrF Bromine monofluoride brf  
670 BrF- bromine fluoride anion brf-  
671 BrF+ bromine fluoride cation brf+  
672 BrCl- bromine chloride anion brcl-  
673 BrCl+ bromine chloride cation brcl+  
674 IF Iodine monofluoride if  
675 Br2 Bromine diatomic br2  
676 ICl Iodine monochloride icl  
677 IBr Iodine monobromide ibr  
678 I2 Iodine diatomic i2  
679 I2+ Iodine diatomic cation i2+  
680 HCF Fluoromethylene hcf  
681 HCCl Chloromethylene hccl  
682 HSiF fluorosilylene hsif  
683 HSiCl Chlorosilylene hsicl  
684 HSiBr monobromosilylene hsibr  
685 CHBr bromomethylene chbr  
686 HOF Hypofluorous acid hfo  
687 DOCl Hypochlorous acid-d docl  
688 HOCl hypochlorous acid hocl  
689 HOBr Hypobromous acid hobr  
690 HOBr+ Hypobromous acid cation hobr+  
691 HOI Hypoiodous acid hoi  
692 F2H+ Fluorine, protonated f2h+  
693 FHF Hydrogen difluoride fhf  
694 FHF- Hydrogen difluoride anion fhf-  
695 ClFH+ Chlorine fluoride, F-protonated clfh+  
696 FClH+ Chlorine fluoride, Cl-protonated fclh+  
697 Cl2H+ Chlorine, protonated cl2h+  
698 CH2F fluoromethyl radical ch2f  
699 CH2F+ fluoromethyl cation ch2f+  
700 CH2Cl+ chloromethyl cation ch2cl+  
701 NH2F monofluoroamine nh2f  
702 NH2Cl chloramine nh2cl  
703 H2F2 Hydrogen fluoride dimer h2f2  
704 CD3F methylfluoride-d3 cd3f  
705 CH3F Methyl fluoride ch3f  
706 CD3Cl methyl chloride d3 cd3cl  
707 CH3Cl Methyl chloride ch3cl  
708 SiH3F monofluorosilane sih3f  
709 SiH3Cl chlorosilane sih3cl  
710 GeH3F monofluorogermane geh3f  
711 GeH3Cl monochlorogermane geh3cl  
712 SiH3Br bromosilane sih3br  
713 CH3I methyl iodide ch3i  
714 SiH3I Silyl Iodide sih3i  
715 NH3Cl+ protonated monochloroammonia nh3cl+  
716 CH3ClH+ methyl chloride, protonated ch3clh+  
717 NH4Cl Ammonium chloride nh4cl  
718 LiNe+ Lithium Neon cation line+  
719 Ne2 Neon diatomic ne2  
720 Ne2+ Neon diatomic cation ne2+  
721 Ar2 Argon diatomic ar2  
722 Ar2+ Argon diatomic cation ar2+  
723 Li3 Lithium trimer li3  
724 Li3+ Lithium trimer cation li3+  
725 C3 carbon trimer c3  
726 C3+ carbon trimer cation c3+  
727 SiC2 Silicon dicarbide sic2  
728 C3H3 cyclopropenyl radical cpr  
729 C3H3 Propargyl radical propargyl  
730 C3H3- Propargyl anion c3h3-  
731 C3H3+ cyclopropenyl cation cpr+  
732 C3H3+ Propargyl cation c3h3+  
733 C3H4 cyclopropene cprop  
734 CH2CCH2 allene allene  
735 CH3CCH propyne propyne  
736 C3H5 Allyl radical allyl  
737 C3H5+ Allyl cation allyl+  
738 CH3CHCH 1-propenyl radical ch3chch  
739 Zn(CH3)2 dimethyl zinc dmz  
740 C3H6 Cyclopropane c3h6  
741 CH2CHCH3 Propene propene  
742 C3H7+ cyclopropane, protonated c3h7+  
743 CH3CHCH3 Isopropyl radical isopropyl  
744 CH3CHCH3+ Isopropyl cation prop2yl+  
745 C3H8 Propane propane  
746 SiH2(CH3)2 dimethylsilane dms  
747 Si3H8 trisilane si3h8  
748 LiCN lithium cyanide licn  
749 NaCN Sodium Cyanide nacn  
750 KCN Potassium cyanide kcn  
751 CuCN Copper cyanide cucn  
752 ZnCN Zinc monocyanide zncn  
753 ZnNC Zinc isocyanide znnc  
754 AlCN Aluminum monocyanide alcn  
755 AlNC Aluminum isocyanide alnc  
756 CN2 3H-Diazirin-3-ylidene cn2  
757 NCN Cyanoimidogen ncn  
758 N3 azide radical n3  
759 N3- azide anion n3-  
760 N3+ azide cation n3+  
761 HCCN cyanomethylene hccn  
762 HCNN diazomethyl radical hcnn  
763 HNCNH diiminomethane hncnh  
764 CH2N2 diazirine ch2n2  
765 CH2NN diazomethane ch2nn  
766 NH2CN cyanamide cyanamide  
767 HNNNH+ 1,2-Triazadienium n2h3+  
768 NH2NN+ hydrazoic acid, protonated nh2nn+  
769 CH3CN Acetonitrile ch3cn  
770 CH3CN+ Acetonitrile cation ch3cn+  
771 CH3NC methyl isocyanide ch3nc  
772 CHNCH2 2H-Azirine c157164  
773 CHNHCH 1H-Azirine chnhch  
774 H2CCNH Ethenimine ch2cnh  
775 H2CNCH methyleneaminomethylene ch2nch  
776 HCCNH2 Ethynamine hccnh2  
777 HNCNH2+ diiminomethane, protonated hncnh2+  
778 NCNH3+ Cyanamide, protonated ncnh3+  
779 NH2CNH+ cyanamide, cn protonated nh2cnh+  
780 NH3CN+ cyanamide, amine protonated nh3cn+  
781 CH2CHNH vinylazine ch2chnh  
782 CH3CHN methylmethaniminyl radical ch3chn  
783 NHCHNH2 aminomethanimine cn2h4  
784 C2H5N Aziridine c2h5n  
785 CH2CHNH2 aminoethene aminoethene  
786 CH2NCH3 N-methylmethanimine nmm  
787 CH3CHNH ethanimine ethanimine  
788 NH2BHNH2 diaminoborane nh2bhnh2  
789 C2H5NH+ Protonated Aziridine c2h5nh+  
790 C2H6N+ aziridine, protonated c2h6n+  
791 NH2CH2NH2 diaminomethane nh2ch2nh2  
792 CH3CH2NH2 Ethylamine etam  
793 CH3NHCH3 Dimethylamine ch3nhch3  
794 CH3PHCH3 dimethylphosphine ch3phch3  
795 NH2CH2NH3+ diaminoethane, protonated pdam  
796 (CH3)2NH2+ dimethylammonium cation dmam  
797 CH3CH2NH3+ ethylamine, protonated pea  
798 Li2O dilithium oxide li2o  
799 Li2O+ dilithium oxide cation li2o+  
800 Li2S dilithium sulfide li2s  
801 Na2O disodium monoxide na2o  
802 Na2S Sodium sulfide na2s  
803 CCO Dicarbon monoxide cco  
804 CNO- fulminate cno-  
805 NCO isocyanato radical nco  
806 NCO- cyanate nco-  
807 SCN thiocyanato radical scn  
808 SCN- thiocyanide anion scn-  
809 BO2 Boron dioxide bo2  
810 BO2- Boron dioxide anion bo2-  
811 BO2+ Boron dioxide cation bo2+  
812 N2O Nitrous oxide n2o  
813 N2O- Nitrous oxide anion n2o-  
814 N2O+ Nitrous oxide cation n2o+  
815 NNS Nitrogen sulfide nns  
816 PPO Phosphorus oxide phosphide ppo  
817 CO2 Carbon dioxide co2  
818 CO2- Carbon dioxide anion co2-  
819 CO2+ Carbon dioxide cation co2+  
820 OCS Carbonyl sulfide cos  
821 OCS+ Carbonyl sulfide cation cos+  
822 SiO2 silicon dioxide sio2  
823 CS2 Carbon disulfide cs2  
824 CS2- Carbon disulfide anion cs2-  
825 CS2+ Carbon disulfide cation cs2+  
826 TiO2 Titanium dioxide tio2  
827 SiS2 Silicon disulfide sis2  
828 GeO2 Germanium dioxide geo2  
829 OCSe Carbonyl selenide ocse  
830 SCSe Carbon sulfide selenide scse  
831 GeS2 Germanium disulfide ges2  
832 CSe2 Carbon diselenide cse2  
833 SCTe Carbon sulfide Telluride scte  
834 NO2 Nitrogen dioxide no2  
835 NO2- Nitrogen dioxide anion no2-  
836 NO2+ Nitrogen dioxide cation no2+  
837 PO2 Phosphorus dioxide po2  
838 PO2- Phosphorus dioxide anion po2-  
839 PO2+ Phosphorus dioxide cation po2+  
840 AsO2 Aresenic dioxide aso2  
841 O3 Ozone o3  
842 O3- Ozone anion o3-  
843 O3+ Ozone cation o3+  
844 SO2- Sulfur dioxide anion so2-  
845 SO2+ Sulfur dioxide cation so2+  
846 SSO Disulfur monoxide sso  
847 S3 Sulfur trimer s3  
848 S3- Sulfur trimer anion s3-  
849 S3+ Sulfur trimer cation s3+  
850 SeO2 Selenium dioxide seo2  
851 SeO2+ Selenium dioxide cation seo2+  
852 TeO2 Tellurium Dioxide teo2  
853 CS2H+ Carbon disulfide, protonated cs2h+  
854 HCNO fulminic acid hcno  
855 HNCO Isocyanic acid hnco  
856 HOCN cyanic acid hocn  
857 HNCS Isothiocyanic acid hncs  
858 HSCN thiocyanic acid hscn  
859 HCO2- formate anion hco2-  
860 HNNO nitrosoazane hnno  
861 HNNO+ Nitrous oxide, N-protonated hnno+  
862 NNOH+ Nitrous Oxide, O-protonated nnoh+  
863 HCOO formate neutral radical hcoo  
864 HOCO+ Hydrocarboxyl cation hoco+  
865 HNO2 Nitrous acid hno2  
866 HNO2+ nitrous acid cation hno2+  
867 O3H+ protonated ozone o3h+  
868 SO2H+ protonated sulfur dioxide so2h+  
869 C2H2O Oxirene oxirene  
870 CH2CO Ketene ch2co  
871 CH2CO+ Ketene cation ch2co+  
872 HCCOH ethynol hccoh  
873 CH2CS Thioketene ch2cs  
874 Be(OH)2 Beryllium hydroxide beo2h2  
875 Mg(OH)2 Magnesium dihydroxide h2mgo2  
876 NH2NO Nitrosamide nh2no  
877 CH2O2 Dioxirane diox  
878 H2COO Dioxymethyl radical h2coo  
879 H2COO+ dioxymethyl cation h2coo+  
880 HCOOH Formic acid ch2o2  
881 H2O3 Hydrogen trioxide h2o3  
882 HSSSH trisulfane hsssh  
883 NaOCH3 Sodium methoxide naoch3  
884 CH2BOH hydroxy(methylene)borane ch2boh  
885 BH3CO Borane carbonyl bh3co  
886 CH3BO Borane, methyloxo- ch3bo  
887 CH2CHO Vinyloxy radical ch2cho  
888 CH2COH+ ketene, protonated ch2coh+  
889 CH3CO Acetyl radical ch3co  
890 CH3CO- Acetyl anion ch3co-  
891 CH3CO+ acetyl cation ch3co+  
892 CH2NOH formaldoxime ch2noh  
893 CH3NO nitrosomethane ch3no  
894 CHONH2 formamide formamide  
895 CNOH3 1,2-oxaziridine cnoh3  
896 HOCHNH hydroxymethylimine hochnh  
897 CHSNH2 thioformamide chsnh2  
898 NHCHSH Methanimidothioic acid nhchsh  
899 CH2OOH CH2OOH radical ch2ooh  
900 CH3OO methylperoxy radical ch3oo  
901 CH3OO- methylperoxy anion ch3oo-  
902 CH3OO+ methylperoxy cation ch3oo+  
903 C2H4O Ethylene oxide c2h4o  
904 CH2CHOH ethenol ch2choh  
905 CH3CHO Acetaldehyde ch3cho  
906 C2H4S Thiirane thiirane  
907 CH2CHSH Ethenethiol ch2chsh  
908 CH3CHS Thioacetaldehyde ch3chs  
909 H2CONH2+ protonated formamide h2conh2+  
910 NH2CHOH+ Formamide, O-protonated nh2choh+  
911 NH3CHO+ Formamide, N-Protonated nh3cho+  
912 CH2(OH)2 methanediol ch2o2h2  
913 CH3OOH Methyl peroxide ch3ooh  
914 CH3SSH Hydrogen methyl disulfide ch3ssh  
915 HSCH2SH Methanedithiol ch4s2  
916 H2OH2CO water formaldehyde dimer h2oh2co  
917 C2H4OH+ ethylene oxide, protonated c2h4oh+  
918 CH2CH2OH 2-hydroxy ethyl radical ch2ch2oh  
919 CH3CH2O Ethoxy radical ethoxy  
920 CH3CHOH 1-hydroxy-ethyl radical ch3choh  
921 CH3CHOH+ acetaldehyde, protonated ch3choh+  
922 CH3OCH2 methoxymethyl radical ch3och2  
923 NH2CH2OH aminomethanol nh2ch2oh  
924 CH3CH2OH Ethanol etoh  
925 CH3OCH3 Dimethyl ether meome  
926 CH3CH2SH ethanethiol etsh  
927 CH3SCH3 Dimethyl sulfide mesme  
928 CH3SCH3+ dimethyl sulfide cation mesme+  
929 CH3SeCH3 dimethylselenide dmse  
930 CH3OHH2O methanol water dimer ch3ohh2o  
931 H2OCH3OH water methanol dimer h2och3oh  
932 CuF2 Copper difluoride cuf2  
933 ZnF2 Zinc difluoride znf2  
934 CNF iso cyanogen fluoride cnf  
935 FCN Cyanogen fluoride fcn  
936 ClCN chlorocyanogen clcn  
937 BrCN Cyanogen bromide brcn  
938 ICN Cyanogen iodide icn  
939 FBO Boron monofluoride monoxide fbo  
940 BeF2 Beryllium fluoride bef2  
941 MgF2 Magnesium fluoride mgf2  
942 BeCl2 Beryllium chloride becl2  
943 MgCl2 Magnesium dichloride mgcl2  
944 CaCl2 Calcium Chloride cacl2  
945 ZnCl2 Zinc dichloride zncl2  
946 BeBr2 Beryllium bromide bebr2  
947 CaBr2 Calcium dibromide cabr2  
948 CaF2 Calcium difluoride caf2  
949 FCO Carbonyl fluoride fco  
950 FCO+ Carbonyl fluoride cation fco+  
951 ClCO carbonyl monochloride clco  
952 BF2 Boron difluoride radical bf2  
953 FNO Nitrosyl fluoride fno  
954 ClNO Nitrosyl chloride clno  
955 FNS Thionitrosyl fluoride fns  
956 FSN Thiazyl fluoride fsn  
957 OPCl Phosphorus oxychloride opcl  
958 BrNO Nitrosyl bromide brno  
959 INO Nitrosyl iodide ino  
960 CF2 Difluoromethylene cf2  
961 CF2- Difluoromethylene anion cf2-  
962 CF2+ Difluoromethylene cation cf2+  
963 CFCl chlorofluoromethylene cfcl  
964 SiF2 Silicon difluoride sif2  
965 SiF2+ Silicon difluoride cation sif2+  
966 CCl2 dichloromethylene ccl2  
967 CCl2- dichloromethylene anion ccl2-  
968 CCl2+ dichloromethylene cation ccl2+  
969 SiCl2 Dichlorosilylene sicl2  
970 GeF2 Germanium difluoride gef2  
971 GeCl2 Germanium dichloride gecl2  
972 CBr2 dibromomethylene cbr2  
973 FOO Dioxygen monofluoride radical foo  
974 ClOO chloroperoxy radical cloo  
975 ClOO+ chloroperoxy cation cloo+  
976 OClO- Chlorine dioxide anion oclo-  
977 OClO+ Chlorine dioxide cation oclo+  
978 ClSO Sulfur chloride oxide clso  
979 ClS2 Sulfur chloride cls2  
980 NF2 Difluoroamino radical nf2  
981 NF2+ Difluoroamino cation nf2+  
982 PF2+ Phosphorus difluoride cation pf2+  
983 FClO chlorosyl fluoride fclo  
984 F2O Difluorine monoxide f2o  
985 ClOF Chlorine hypofluorite clof  
986 SF2 sulfur difluoride sf2  
987 SF2- sulfur difluoride anion sf2-  
988 SF2+ sulfur difluoride cation sf2+  
989 Cl2O Dichlorine monoxide cl2o  
990 SCl2 Sulfur dichloride scl2  
991 SeF2 Selenium difluoride sef2  
992 BrOCl Bromine hypochlorite brocl  
993 SeCl2 Selenium Dichloride secl2  
994 SBr2 Sulfur dibromide sbr2  
995 SeBr2 Selenium dibromide sebr2  
996 BrOBr Bromine oxide brobr  
997 F3- trifluoride anion f3-  
998 Cl3- trichloride anion cl3-  
999 Br3- tribromide anion br3-  
1000 I3- triiodide i3-  
1001 SFCl Sulfur chloride fluoride sfcl  
1002 HCCF Fluoroacetylene hccf  
1003 HCCF+ fluoroacetylene cation hccf+  
1004 HCCCl Chloroacetylene hcccl  
1005 HCCBr bromoacetylene hccbr  
1006 HFCO formyl fluoride hfco  
1007 HFCO+ formyl fluoride cation hfco+  
1008 COHCl Formyl chloride cohcl  
1009 COHBr Formyl bromide cohbr  
1010 BHF2 Difluoroborane bhf2  
1011 BHCl2 Borane, dichloro- bhcl2  
1012 CHCl2 dichloromethyl radical chcl2  
1013 CHF2+ difluoromethyl cation chf2+  
1014 CHFCl+ Chlorofluoromethyl cation chfcl+  
1015 CHCl2+ dichloromethyl cation chcl2+  
1016 CHBr2 dibromomethyl radical chbr2  
1017 HOClO Chlorous acid hoclo  
1018 NHF2 difluoramine nhf2  
1019 NHCl2 dichloroamine nhcl2  
1020 CH2F2 Methane, difluoro- ch2f2  
1021 CH2FCl fluorochloromethane ch2fcl  
1022 SiH2F2 difluorosilane sih2f2  
1023 CH2Cl2 Methylene chloride ch2cl2  
1024 CH2BrF Methane, bromofluoro- ch2fbr  
1025 CH2BrCl Methane, bromochloro- ch2clbr  
1026 CH2FI fluoroiodomethane ch2fi  
1027 CH2Br2 dibromomethane ch2br2  
1028 CH2ClI chloroiodomethane ch2cli  
1029 CH2BrI bromoiodomethane ch2bri  
1030 CH2I2 Diiodomethane ch2i2  
1031 SiH2Cl2 dichlorosilane sih2cl2  
1032 CH3MgBr Methyl Magnesium Bromide ch3mgbr  
1033 CH2CHF+ fluoroethene cation ch2chf+  
1034 C2H3Cl Ethene, chloro- ch2chcl  
1035 C2H3Br vinyl bromide c2h3br  
1036 C2H3I Vinyl iodide c2h3i  
1037 CH2FOH fluoromethanol ch2foh  
1038 CH3OCl methyl hypochlorite ch3ocl  
1039 CH2CH2Cl 2-chloroethyl radical ch2ch2cl  
1040 CHClCH3 1-chloroethyl radical chclch3  
1041 C2H5F fluoroethane c2h5f  
1042 CH3CH2Cl Ethyl chloride c2h5cl  
1043 CH3SiFH2 fluoromethylsilane ch3sifh2  
1044 C2H5Br Ethyl bromide etbr  
1045 C2H5I Ethyl iodide c2h5i  
1046 KrF2 Krypton difluoride krf2  
1047 XeF2 Xenon difluoride xef2  
1048 B4H10 Tetraborane(10) b4h10  
1049 C4+ Carbon tetramer cation c4+  
1050 C4H2 Diacetylene c4h2  
1051 C2H3CCH 1-Buten-3-yne c2h3cch  
1052 C4H4 cyclobutadiene cbd  
1053 C4H4 Tetrahedrane c4h4  
1054 H2CCCCH2 Butatriene h2cccch2  
1055 C4H6 1-Methylcyclopropene c3100047  
1056 C4H6 Cyclobutene c822355  
1057 C4H6 Methylenecyclopropane c6142730  
1058 CH2CCHCH3 1,2-Butadiene butad12  
1059 CH2CHCHCH2 1,3-Butadiene c106990  
1060 CH3CCCH3 2-Butyne c503173  
1061 CHCCH2CH3 1-Butyne c107006  
1062 CH3CHCHCH2 methylallyl radical c4h7  
1063 C4H8 methylcyclopropane mcp  
1064 CH2C(CH3)CH3 1-Propene, 2-methyl- isobute  
1065 CH2CHCH2CH3 1-Butene bute1  
1066 CH3CHCHCH3 2-Butene, (E)- bute2e  
1067 CH3CHCHCH3 2-Butene, (Z)- bute2z  
1068 B(CH3)3 trimethylborane bme3  
1069 Al(CH3)3 trimethyl aluminum tma  
1070 C(CH3)3 Tert-butyl radical tbutyl  
1071 CH2CH(CH3)2 Isobutyl radical isobutyl  
1072 CH3CHCH2CH3 2-Butyl radical butyl2  
1073 CH3CH(CH3)CH3 Isobutane isobutane  
1074 CH3CH2CH2CH3 Butane butane  
1075 SiH(CH3)3 trimethylsilane trimsi  
1076 Li3N trilithium nitride li3n  
1077 C2N2 Cyanogen c2n2  
1078 C2N2+ Cyanogen cation c2n2+  
1079 P4 Phosphorus tetramer p4  
1080 As4 Arsenic tetramer as4  
1081 HCCCN Cyanoacetylene hcccn  
1082 HCCCN+ Cyanoacetylene cation hcccn+  
1083 H2CNCN cyanamide, methylene ch2ncn  
1084 HNCCNH Ethenediimine hnccnh  
1085 C3H3N acrylonitrile ch2chcn  
1086 C3H3N+ acrylonitrile cation ch2chcn+  
1087 CH3N3 methyl azide ch3n3  
1088 NH2CCNH2 Diaminoacetylene daa  
1089 NH2CH2CN Aminoacetonitrile aan  
1090 CH3NHN2+ methyl azide, protonated ch3nhn2+  
1091 C2H5CN ethyl cyanide c2h5cn  
1092 CH5N3 Guanidine guanidine  
1093 C4H6 Bicyclo[1.1.0]butane c157335  
1094 CH3NNCH3 (Z)-1,2-Dimethyldiazene dmdiazz  
1095 H2NCHCHNH2 diaminoethylene dae  
1096 CH6N3+ guanidinium ch6n3+  
1097 C3H7N Cyclopropylamine cpram  
1098 CH7N3 triaminomethane tam  
1099 C3H7N Azetidine azet  
1100 C4H8 cyclobutane cbutane  
1101 C2H8N2 Ethylenediamine ethdiam  
1102 CH3NHNHCH3 dimethyl hydrazine dmh  
1103 CH3CH(NH2)CH3 2-Propanamine pram2  
1104 N(CH3)3 Trimethylamine trimeam  
1105 NH2CH2CH2CH3 1-Propanamine pram1  
1106 P(CH3)3 trimethylphosphine tmp  
1107 N(SiH3)3 trisilylamine tsa  
1108 As(CH3)3 trimethyl arsine tmas  
1109 (CH3)3NH+ protonated trimethyl amine ptma  
1110 C3H7NH3+ n-propylamine, protonated c3h7nh2  
1111 Li2O2 dilithium dioxide li2o2  
1112 Na2O2 disodium dioxide na2o2  
1113 K2O2 dipotassium dioxide k2o2  
1114 C3O Tricarbon monoxide c3o  
1115 B2O2 Diboron dioxide b2o2  
1116 ONNO NO dimer onno  
1117 S2N2 Disulfur dinitride s2n2  
1118 CO3 Carbon trioxide co3  
1119 CO3-- carbonate co3--  
1120 CS3-- Carbonotrithioate cs3--  
1121 NO3 Nitrogen trioxide no3  
1122 NO3- nitrate anion no3-  
1123 NO3+ nitrogen trioxide cation no3+  
1124 SO3 Sulfur trioxide so3  
1125 SO3- Sulfur trioxide anion so3-  
1126 SO3-- Sulfate dianion so3--  
1127 SO3+ Sulfur trioxide cation so3+  
1128 SeO3 selenium trioxide seo3  
1129 S4 Sulfur tetramer s4  
1130 TeO3 Tellurium trioxide teo3  
1131 HCO3- bicarbonate anion hco3-  
1132 HNO3 Nitric acid hno3  
1133 HSO3 Hydroxysulfonyl radical hso3  
1134 NH2NO2 nitramide nh2no2  
1135 C2H2CO cyclopropenone c2h2co  
1136 C3H2O Propadienal c3h2o  
1137 HCCCHO 2-propynal hcccho  
1138 C2H2O2+ Ethanedial cation c2h2o2+  
1139 H2CO3 Carbonic acid h2co3  
1140 H2CS3 thiocarbonic acid h2cs3  
1141 H2NO3+ Nitric Acid, Protonated h2no3+  
1142 H2SO3 Sulfurous acid h2so3  
1143 C2H3NO Nitrosoethylene c2h3no  
1144 CH3NCO methylisocyante ch3nco  
1145 HOCH2CN cyanomethanol hoch2cn  
1146 CH3COO- acetate anion ch3coo-  
1147 CH3NO2 Methane, nitro- ch3no2  
1148 CH3ONO Methyl nitrite ch3ono  
1149 NH2COOH Carbamic acid nh2cooh  
1150 H3BO3 Boric acid h3bo3  
1151 H3AlO3 Aluminum hydroxide h3alo3  
1152 H3CO3+ carbonic acid, protonated h3co3+  
1153 C3H4O 2-Propyn-1-ol c107197  
1154 C3H4O allenol c9000071  
1155 C3H4O Cyclopropanone cpone  
1156 C3H4O Methylketene c6004440  
1157 CH2CHCHO Acrolein c3h4o  
1158 NH2CONH2 Urea urea  
1159 NH2CONH2+ Urea cation urea+  
1160 NH2CSNH2 Thiourea thiourea  
1161 C2H4O2 1,3-dioxetane c2h4o2  
1162 CH3COOH Acetic acid ch3cooh  
1163 CH3OCHO methyl formate ch3ocho  
1164 CHOCH2OH hydroxy acetaldehyde haa  
1165 NH2COOH2+ Carbamic acid, O-protonated nh2cooh2+  
1166 NH3COOH+ protonated Carbamic acid nh3cooh+  
1167 H2OHCOOH Water formic acid dimer 1 h2ohcooh_10  
1168 H2OHCOOH Water formic acid dimer 2 h2ohcooh_11  
1169 HCOOHH2O Formic acid water dimer hcoohh2o  
1170 HOCH2OOH hydroxy methyl peroxide hoch2ooh  
1171 CH3COCH2 Acetonyl radical ch3coch2  
1172 CH2C(OH)NH2 1-amino vinyl alchohol ava  
1173 CH3C(OH)=NH Ethaninidic acid eia  
1174 CH3CHNOH Acetaldoxime acetaldoxime  
1175 CH3CONH2 Acetamide acetamide  
1176 HCONHCH3 N-methylformamide nmfa  
1177 CH3CSNH2 Ethanethioamide ch3csnh2  
1178 CH5N2O+ urea, N-protonated ch4n2o+  
1179 H2NCOHNH2+ urea, protonated ureah+  
1180 C2H5OO ethylperoxy radical c2h5oo  
1181 CH3NNCH3 (E)-1,2-Dimethyldiazene dmdiaze  
1182 C3H5OH Cyclopropanol cproh  
1183 C3H6O 2-Propen-1-ol c107186  
1184 C3H6O Acetone enol enol  
1185 C3H6O Oxetane oxetane  
1186 C3H6O Propylene oxide prox  
1187 CH3CH2CHO Propanal propanal  
1188 CH3COCH3 Acetone acetone  
1189 CH3COCH3- acetone anion ch3coch3-  
1190 C3H6S Thietane thietane  
1191 C3H6S Thiirane, methyl- methiirane  
1192 CH3CSCH3 Thioacetone ch3csch3  
1193 C2H6O2 1,2-Ethanediol ethdiol  
1194 CH3OOCH3 dimethylperoxide dmp  
1195 CH3SOCH3 Dimethyl sulfoxide dmso  
1196 CH2SHCH2SH 1,2-Ethanedithiol ethdisl  
1197 CH3SSCH3 Disulfide, dimethyl ch3ssch3  
1198 CH3COHCH3+ acetone, protonated acetoneh+  
1199 HOCH2CH2NH2 monoethanolamine mea  
1200 C3H7OH 1-Propanol proh  
1201 CH3CHOHCH3 Isopropyl alcohol isoproh  
1202 CH3OC2H5 Ethane, methoxy- etome  
1203 C3H7SH 1-Propanethiol prsh  
1204 CH3CHSHCH3 2-Propanethiol isoprsh  
1205 CH3SCH2CH3 Ethane, (methylthio)- etsme  
1206 H2OCH3OCH3 water dimethylether dimer h2och3och3  
1207 Li2F2 Lithium fluoride dimer li2f2  
1208 Na2F2 Sodium Fluoride Dimer na2f2  
1209 Na2Cl2 Disodium dichloride na2cl2  
1210 C2F2 difluoroacetylene c2f2  
1211 C2Cl2 dichloroacetylene c2cl2  
1212 C2Cl2+ dichloroacetylene cation c2cl2+  
1213 FNO2 Nitryl fluoride fno2  
1214 FONO Nitrosyl hypofluorite fono  
1215 ClNO2 Nitryl chloride clno2  
1216 ClONO chlorine nitrite clono  
1217 BrONO Bromine nitrite brono  
1218 N2F2 (Z)-Difluorodiazene n2f2_z  
1219 N2F2 Dinitrogen difluoride, (E)- n2f2_e  
1220 CF2O Carbonic difluoride f2co  
1221 COFCl Carbonic chloride fluoride cofcl  
1222 CCl2O Phosgene cl2co  
1223 Cl2CS Thiophosgene cl2cs  
1224 COBr2 Carbonic dibromide cobr2  
1225 BF3 Borane, trifluoro- bf3  
1226 BF3- Borane, trifluoro- anion bf3-  
1227 AlF3 Aluminum trifluoride alf3  
1228 BClF2 Chlorodifluoroborane bclf2  
1229 AlF2Cl Aluminum chloride difluoride alclf2  
1230 ScF3 Scandium trifluoride ScF3  
1231 AlFCl2 Aluminum dichloride fluoride alcl2f  
1232 BCl3 Borane, trichloro- bcl3  
1233 GaF3 Gallium trifluoride gaf3  
1234 AlCl3 Aluminum trichloride alcl3  
1235 GaCl3 Gallium trichloride gacl3  
1236 BBr3 Boron tribromide bbr3  
1237 AlBr3 Aluminum Bromide albr3  
1238 ClO3 Chlorine trioxide clo3  
1239 ClO3- chlorate anion clo3-  
1240 BrO3- Bromate anion bro3-  
1241 CF3 Trifluoromethyl radical cf3  
1242 CF3- Trifluoromethyl anion cf3-  
1243 CF3+ Trifluoromethyl cation cf3+  
1244 SiF3 Silicon trifluoride radical sif3  
1245 SiF3+ Silicon trifluoride cation sif3+  
1246 CCl3 Trichloromethyl radical ccl3  
1247 CCl3- Trichloromethyl anion ccl3-  
1248 CCl3+ Trichloromethyl cation ccl3+  
1249 SiCl3 trichlorosilyl radical sicl3  
1250 SiCl3+ trichlorosilyl cation sicl3+  
1251 CBr3 tribromomethyl radical cbr3  
1252 FOOF Perfluoroperoxide foof  
1253 ClO2F Chloryl fluoride clo2f  
1254 F2SO Thionyl Fluoride f2so  
1255 ClOOCl Dichlorine dioxide cloocl  
1256 FSSF Difluorodisulfane fssf  
1257 S2F2 Thio-thionyl fluoride s2f2  
1258 SOCl2 thionyl chloride socl2  
1259 SSCl2 Thiothionyl chloride sscl2  
1260 SeOCl2 selenium oxychloride seocl2  
1261 NF3- Nitrogen trifluoride anion nf3-  
1262 NF3+ Nitrogen trifluoride cation nf3+  
1263 PF3 Phosphorus trifluoride pf3  
1264 NCl3 nitrogen trichloride ncl3  
1265 AsF3 Arsenic trifluoride asf3  
1266 PCl3 Phosphorus trichloride pcl3  
1267 SbF3 Antimony Trifluoride sbf3  
1268 AsCl3 Arsenous trichloride ascl3  
1269 SbCl3 Antimony Trichloride sbcl3  
1270 PBr3 Phosphorus tribromide pbr3  
1271 AsBr3 Arsenic tribromide asbr3  
1272 NI3 Nitrogen triiodide ni3  
1273 PI3 Phosphorus triiodide pi3  
1274 ClSSCl Disulfur dichloride s2cl2  
1275 SF3 Sulfur trifluoride sf3  
1276 ClF3 Chlorine trifluoride clf3  
1277 BrF3 Bromine trifluoride brf3  
1278 IF3 iodone trifluoride if3  
1279 HClO3 Chloric Acid hclo3  
1280 CHF3 Methane, trifluoro- chf3  
1281 CHF2Cl difluorochloromethane chf2cl  
1282 SiHF3 trifluorosilane sihf3  
1283 CHFCl2 fluorodichloromethane chfcl2  
1284 CDCl3 trichloromethane-d cdcl3  
1285 CHCl3 Chloroform chcl3  
1286 CHBrF2 Methane, bromodifluoro- chbrf2  
1287 SiHCl3 Trichlorosilane sihcl3  
1288 CHFClBr fluorochlorobromomethane chfclbr  
1289 CHBrCl2 Methane, bromodichloro- chbrcl2  
1290 CHF2I difluoroiodomethane chf2i  
1291 CHBr2F dibromofluoromethane chbr2f  
1292 CHFClI fluorochloroiodomethane chfcli  
1293 CHCl2I dichloroiodomethane chcl2i  
1294 CHClBr2 Methane, dibromochloro- chclbr2  
1295 CHBr3 bromoform chbr3  
1296 CHI3 Iodoform chi3  
1297 NF3H+ protonated nitrogen trifluoride nf3h+  
1298 AsF3H+ Arsenic trifluoride, protonated asf3h+  
1299 C2H2F2 Ethene, 1,2-difluoro-, (E)- c2h2f2e  
1300 C2H2F2 Ethene, 1,2-difluoro-, (Z)- c2h2f2z  
1301 CH2CF2 Ethene, 1,1-difluoro- ch2cf2  
1302 C2H2ClF 1-chloro-1-fluoroethylene c2h2clf  
1303 CHFCHCl (E)-1-chloro-2-fluoroethene chfchcle  
1304 CHFCHClz (Z)-1-Chloro-2-fluoroethene chfchclz  
1305 CH2CCl2 Ethene, 1,1-dichloro- ch2ccl2  
1306 CHClCHCl Ethene, 1,2-dichloro-, (E)- chclchcle  
1307 CHClCHCl Ethene, 1,2-dichloro-, (Z)- chclchclz  
1308 C2H2Br2 1,1-dibromoethene c2h2br2  
1309 CHBrCHBr Ethene, 1,2-dibromo-, (E)- chbrchbre  
1310 CHBrCHBr Ethene, 1,2-dibromo-, (Z)- chbrchbrz  
1311 CH2FCHO Fluoroacetaldehyde ch2fcho  
1312 CH3COF Acetyl fluoride ch3cof  
1313 CH2ClCHO chloroacetaldehyde ch2clcho  
1314 CH3COCl Acetyl Chloride ch3cocl  
1315 CH3CHF2 Ethane, 1,1-difluoro- ch3chf2  
1316 CH2FCH2Cl Ethane, 1-chloro-2-fluoro- ch2fch2cl  
1317 CH3CHFCl Ethane, 1-chloro-1-fluoro- ch3chfcl  
1318 CH2ClCH2Cl Ethane, 1,2-dichloro- ch2clch2cl  
1319 CH3CHCl2 Ethane, 1,1-dichloro- ch3chcl2  
1320 CH2BrCH2Cl 1-bromo-2-chloroethane ch2brch2cl  
1321 CH2BrCH2Br Ethane, 1,2-dibromo- ch2brch2br  
1322 CH2CFCH3 2-fluoropropene 2fpro  
1323 CH2CHCH2F Allyl Fluoride allylf  
1324 CH3CHCHF trans-1-Fluoro-1-propene propene1ft  
1325 C3H5Cl 1-Propene, 3-chloro- prop1cl3  
1326 C3H5Cl 1-chloro-1-propene(E) prop1cl1e  
1327 C3H5Cl 1-chloro-1-propene(Z) prop1cl1z  
1328 CH2FCH2OH 2-fluoroethanol ch2fch2oh  
1329 CH2ClCH2OH 2-Chloroethanol ch2clch2oh  
1330 CH2ClCH2OH2+ 2-chloroethanol, protonated ch2clch2oh2+  
1331 CH2FCH2CH3 1-Fluoropropane prf1  
1332 CH3CHFCH3 2-Fluoropropane prf2  
1333 CH2ClCH2CH3 Propane, 1-chloro- prcl1  
1334 CH3CHClCH3 Propane, 2-chloro- prcl2  
1335 CH3CH2CH2Br n-propyl bromide prbr  
1336 CH3CHBrCH3 i-propyl bromide iprbr  
1337 C3H9O+ trimethyl oxonium cation c3h9o+  
1338 B5H9 pentaborane9 b5h9  
1339 C5H4 pentatetraene ptrene  
1340 C5H5 cyclopentadienyl radical c5h5  
1341 C5H5- cylopentadienyl anion c5h5-  
1342 C5H6 1,3-Cyclopentadiene c542927  
1343 C5H6 1-Buten-3-yne, 2-methyl- c78808  
1344 C5H6 3-Penten-1-yne, (E)- c2004695  
1345 C5H6 3-Penten-1-yne, (Z)- c1574409  
1346 C5H6 Bicyclo[2.1.0]pent-2-ene c5164352  
1347 C5H6 Cyclopropylacetylene c6746947  
1348 C5H6 Propellane propellane  
1349 C5H7 1,3-pentadienyl radical pdyl  
1350 C5H7 cyclopentenyl radical cpyl  
1351 C5H8 1,2-Butadiene, 3-methyl- c598254  
1352 C5H8 1,2-Pentadiene c591957  
1353 C5H8 1,3-Butadiene, 2-methyl- c78795  
1354 C5H8 1,3-Pentadiene, (E)- c2004708  
1355 C5H8 1,3-Pentadiene, (Z)- c1574410  
1356 C5H8 1,4-Pentadiene c591935  
1357 C5H8 1-pentyne a1pentyne  
1358 C5H8 2,3-Pentadiene c591968  
1359 C5H8 Bicyclo[1.1.1]pentane bcp  
1360 C5H8 Cyclobutane, methylene- c1120565  
1361 C5H8 Cyclopentene c142290  
1362 C5H8 Ethenylcyclopropane c693867  
1363 CH3CCCH2CH3 2-Pentyne 2pentyne  
1364 C5H10 1-Butene, 2-methyl- c563462  
1365 C5H10 2-Butene, 2-methyl- c513359  
1366 C5H10 2-Pentene, (E)- c646048  
1367 C5H10 2-Pentene, (Z)- c627203  
1368 C5H10 Cyclopentane c287923  
1369 C5H10 Cyclopropane, 1,1-dimethyl- c1630940  
1370 CH2CHCH2CH2CH3 1-pentene pentene  
1371 C5H11 2-Methylbut-2-yl radical c4348350  
1372 C5H12 Butane, 2-methyl- buta2  
1373 C5H12 Pentane pentane  
1374 C5H12 Propane, 2,2-dimethyl- neopentane  
1375 Si(CH3)4 tetramethylsilane tms  
1376 N2O3 Dinitrogen trioxide n2o3  
1377 C3H2N2 Malononitrile c3h2n2  
1378 CH2N4 1H-Tetrazole 1htz  
1379 C3H3N2 imidazolyl radical im  
1380 C3H3N2- imidizolyl anion im-  
1381 C2H3N3 1H-1,2,4-Triazole c288880  
1382 C4H4N pyrrolide radical c4h4n  
1383 C4H4N- pyrrolide anion c4h4n-  
1384 C3H4N2 1H-Imidazole 1himidaz  
1385 C3H4N2 1H-Pyrazole 1hpyraz  
1386 C3H4N2 2H-Imidazole imid2h  
1387 C3H4N2 4H-Imidazole imid4h  
1388 C4H5N (E)-2-Butenenitrile c627269  
1389 C4H5N (Z)-2-Butenenitrile c1190767  
1390 C4H5N 2H-pyrrole pyrrole2  
1391 C4H5N 3H-pyrrole pyrrole3  
1392 C4H5N Cyclopropanecarbonitrile c5500210  
1393 C4H5N Pyrrole pyrrole  
1394 CH2CHCH2CN Allylcyanide ch2chch2cn  
1395 C4H6N+ pyrrole, alpha-protonated appyr  
1396 C4H6N+ pyrrole, beta-protonated bppyr  
1397 C4H6N+ pyrrole, protonated ppyr  
1398 C3H6N2 3-Aminopropionitrile c151188  
1399 CH3CH(CH3)CN Propanenitrile, 2-methyl- c4h7n  
1400 CH3CH2CH2CN Butanenitrile c109740  
1401 C5H8 Bicyclo[2.1.0]pentane c185944  
1402 C5H8 Spiropentane c157404  
1403 C4H9N Cyclobutylamine cbam  
1404 C4H9N Pyrrolidine pyrrolidine  
1405 C3H10N2 1,2-Diaminopropane diampr12  
1406 C(CH3)3NH2 2-Propanamine, 2-methyl- c75649  
1407 C(NH2)H2C(CH3)HCH3 1-Propanamine, 2-methyl- c78819  
1408 C(NH2)H2CH2CH2CH3 1-Butanamine butam1  
1409 CH3C(NH2)HCH2CH3 2-Butanamine butam2  
1410 NH(C2H5)2 diethylamine dea  
1411 NC4H12+ tetramethyl ammonium cation nc4h12+  
1412 C3O2 Carbon suboxide c3o2  
1413 C3O2+ Carbon suboxide cation c3o2+  
1414 B2O3 diboron trioxide b2o3  
1415 MgCO3 Magnesium Carbonate mgco3  
1416 BeCO3 Beryllium Carbonate beco3  
1417 CaCO3 Calcium Carbonate caco3  
1418 ONONO Nitrosyl nitrite onono  
1419 PO4--- phosphate po4---  
1420 SO4-- sulfate so4--  
1421 HOONO2 peroxy nitric acid hoono2  
1422 HSO4- bisulfate anion hso4-  
1423 C2H2N2S 1,3,4-Thiadiazole c2h2n2s  
1424 C3H2O2 Propiolic acid c3h2o2  
1425 CHOCOOH oxo acetic acid oaa  
1426 CHOOCHO diformyl ether choocho  
1427 H2SO4 Sulfuric acid h2so4  
1428 H2SeO4 Selenic acid h2seo4  
1429 C3H3NO Isoxazole isox  
1430 C3H3NO Oxazole oxazole  
1431 C3H3NS Thiazole thiazole  
1432 CH3C(O)OO acetyl peroxy radical ch3coo2  
1433 CH3NO3 Methyl nitrate ch3no3  
1434 H3PO4 Phosphoric Acid h3po4  
1435 C4H4O Furan furan  
1436 C4H4O+ Furan cation furan+  
1437 CH3COCCH 3-butyn-2-one c1423605  
1438 C4H4S Thiophene furans  
1439 C4H4Se selenophene c4h4se  
1440 C3H4O2 β–Propiolactone beta  
1441 C3H4O2 2-Propenoic acid propenoic2  
1442 C3H4O2 Methyl glyoxal megly  
1443 C3H4O2 propanedial propanedial  
1444 C3H4O2 propenalol propenalol  
1445 HOCHCCHOH allenediol aldiol  
1446 C2H4O3 1,2,3-trioxolane c2h4o3  
1447 C2H4O3 trioxolane124 triox  
1448 HOCH2COOH Hydroxyacetic acid hac  
1449 CH2CHCONH2 Acrylamide c79061  
1450 CH3OCH2CN Methoxyacetonitrile c1738369  
1451 CH5N3S Hydrazinecarbothioamide c79196  
1452 H2NCH2COOH Glycine glycine  
1453 CH3SO2NH2 methanesulfonamide ch3so2nh2  
1454 C4H6O cis-2-butenal butenal2c  
1455 C4H6O Cyclobutanone cbutone  
1456 C4H6O Furan, 2,3-dihydro- furan23h  
1457 C4H6O Furan, 2,5-dihydro- furan25h  
1458 CH2CHOCHCH2 Vinyl ether vinylether  
1459 CHOCHCHCH3 2-Butenal butenal2  
1460 C4H6S Thiophene, 2,3-dihydro- thiop23h  
1461 C4H6S Thiophene, 2,5-dihydro- thiop25h  
1462 CH2CHSCHCH2 Divinyl sulfide divis  
1463 C2H6N2O Urea, methyl- c598505  
1464 C3H6O2 1,3-Dioxolane dioxolane  
1465 CH3CH2COOH Propanoic Acid propanoic  
1466 CH3COOCH3 methyl acetate aame  
1467 HCOOC2H5 Ethyl formate faee  
1468 C2H6O2S Dimethyl sulfone c67710  
1469 CH3SSSCH3 dimethyl trisulfide c2h6s3  
1470 C3H7NO dimethylformamide dmf  
1471 C3H7NO Propanamide propanam  
1472 C2H3OC2H5 Ethene, ethoxy- c109922  
1473 C4H8O Cyclobutanol c2919235  
1474 C4H8O Furan, tetrahydro- thf  
1475 CH2C(CH3)OCH3 1-Propene, 2-methoxy- pre1meo2  
1476 CH3COCH2CH3 2-Butanone buta2one  
1477 CHOCH(CH3)CH3 Propanal, 2-methyl- c78842  
1478 CHOCH2CH2CH3 Butanal butanal  
1479 C4H8S Thiophene, tetrahydro- tht  
1480 C3H8O2 1,3-Propanediol c504632  
1481 C3H8O2 Hydroperoxide, 1-methylethyl c3031752  
1482 C3H8O2 Methane, dimethoxy- c109875  
1483 C3H8O2 Propylene glycol c57556  
1484 C3H8S2 1,3-Propanedithiol c109808  
1485 C4H10O 1-Butanol butanol1  
1486 C4H10O 1-Propanol, 2-methyl- c78831  
1487 C4H10O 2-Butanol, (.+/-.)- butanol2  
1488 C4H10O Ethanol, 1,1-dimethyl- tbuoh  
1489 C4H10O Ethoxy ethane etoet  
1490 C4H10O Methyl propyl ether meopr  
1491 C4H10O Propane, 2-methoxy- c598538  
1492 C4H10O+ 1-Butanol cation butanol1+  
1493 C(CH3)3SH 2-Propanethiol, 2-methyl- tbush  
1494 C2H5SC2H5 Diethyl sulfide etset  
1495 C4H9SH 1-Butanethiol bush  
1496 CH2(SH)CH(CH3)CH3 1-Propanethiol, 2-methyl- c513440  
1497 CH3C(SCH3)HCH3 Propane, 2-(methylthio)- mesipr  
1498 CH3CH(SH)CH2CH3 2-Butanethiol butansl2  
1499 FNO3 Fluorine nitrate fno3  
1500 ClONO2 Chlorine nitrate clono2  
1501 BrONO2 Bromine nitrate brono2  
1502 TiCl4 Titanium tetrachloride ticl4  
1503 ClO4- perchlorate anion clo4-  
1504 BF4- tetrafluoroboron anion bf4-  
1505 ClFO3 Perchloryl fluoride clfo3  
1506 SO2F2 Sulfuryl fluoride so2f2  
1507 SO2Cl2 Sulfuryl chloride so2cl2  
1508 F3NO Nitrogen trifluoride oxide f3no  
1509 F3PO Phosphoryl fluoride pf3o  
1510 Cl3PO Phosphoryl chloride pcl3o  
1511 CF4 Carbon tetrafluoride cf4  
1512 CF3Cl Methane, chlorotrifluoro- cf3cl  
1513 SiF4 Silicon tetrafluoride sif4  
1514 CF2Cl2 difluorodichloromethane cf2cl2  
1515 TiF4 Titanium tetrafluoride tif4  
1516 CFCl3 Trichloromonofluoromethane cfcl3  
1517 CF3Br Bromotrifluoromethane cf3br  
1518 GeF4 Germanium tetrafluoride gef4  
1519 CCl4 Carbon tetrachloride ccl4  
1520 CCl4+ Carbon tetrachloride cation ccl4+  
1521 CBrClF2 Methane, bromochlorodifluoro- cbrclf2  
1522 SiCl4 Silane, tetrachloro- sicl4  
1523 CBrCl2F bromodichlorofluoromethane cbrcl2f  
1524 CF3I trifluoroiodomethane cf3i  
1525 CBrCl3 Methane, bromotrichloro- cbrcl3  
1526 CBr2F2 Methane, dibromodifluoro- cbr2f2  
1527 GeCl4 Germanium Tetrachloride gecl4  
1528 CBr2ClF dibromochlorofluoromethane cbr2clf  
1529 CBr2Cl2 dibromodichloromethane cbr2cl2  
1530 CCl3I trichloroiodomethane ccl3i  
1531 CFBr3 fluorotribromomethane cfbr3  
1532 CFClBrI fluorochlorobromoiodomethane cfclbri  
1533 CBr3Cl tribromochloromethane cbr3cl  
1534 CF2I2 difluorodiiodomethane cf2i2  
1535 CBr4 Carbon tetrabromide cbr4  
1536 CCl2I2 dichlorodiiodomethane ccl2i2  
1537 SiBr4 Silicon tetrabromide sibr4  
1538 CBr3I tribromoiododmethane cbr3i  
1539 GeBr4 Germanium tetrabromide gebr4  
1540 CI4 tetraiodomethane ci4  
1541 SiI4 silicon tetraiodide sii4  
1542 ClOF3 Chlorine trifluoride oxide clof3  
1543 SF4 Sulfur tetrafluoride sf4  
1544 SeF4 Selenium tetrafluoride sef4  
1545 SCl4 Sulfur tetrachloride scl4  
1546 C2HF3 Trifluoroethylene c2hf3  
1547 C2HF3+ Trifluoroethylene cation c2hf3+  
1548 CHClCCl2 Trichloroethylene chclccl2  
1549 CHBrCF2 1-Bromo-2,2-difluoroethylene chbrcf2  
1550 HClO4 perchloric acid hclo4  
1551 HSO3F Fluorosulfonic acid hso3f  
1552 CF3OH trifluoromethanol cf3oh  
1553 CH2ClCCCl 1,3-dichloropropyne ch2clcccl  
1554 CHClCCHCl 1,3-dichloroallene chclcchcl  
1555 CHCl2CCH 3,3-dichloropropyne chcl2cch  
1556 CHCl2CHO dichloroacetaldehyde chcl2cho  
1557 PF3CH2 phosphorane, trifluoromethylene- pf3ch2  
1558 CH3CF3 Ethane, 1,1,1-trifluoro- ch3cf3  
1559 CHF2CH2F Ethane, 1,1,2-trifluoro ch2fchf2  
1560 CH3CF2Cl 1-Chloro-1,1-Difluoroethane ch3cf2cl  
1561 CH3CFCl2 1,1-Dichloro-1-fluoroethane ch3cfcl2  
1562 CH2ClCHCl2 1,1,2-trichloroethane ch2clchcl2  
1563 CH3CCl3 Ethane, 1,1,1-trichloro- ch3ccl3  
1564 SiCl3CH3 methyltrichlorosilane sicl3ch3  
1565 CH3CBr3 1,1,1-tribromoethane ch3cbr3  
1566 NH3BCl3 Amminetrichloroboron nh3bcl3  
1567 SiH3CCl3 (trichloromethyl)silane sih3ccl3  
1568 CH2CClCHCH2 1,3-Butadiene, 2-chloro- c4h5cl  
1569 C3H5ClO Oxirane, (chloromethyl)- c106898  
1570 CH2FCH2CH2F 1,3-difluoropropane ch2fch2ch2f  
1571 CH3CF2CH3 2,2-difluoropropane ch3cf2ch3  
1572 CH2ClCH2CH2Cl 1,3-dichloropropane prdicl13  
1573 CH2ClCHClCH3 Propane, 1,2-dichloro- prdicl12  
1574 CH3CCl2CH3 Propane, 2,2-dichloro- prdicl22  
1575 CHCl2CH2CH3 1,1-dichloropropane prdicl11  
1576 SiCl2(CH3)2 dichlorodimethylsilane sicl2me2  
1577 CH2CClCH2CH3 1-Butene, 2-chloro- bute1cl2  
1578 CH2CHCH2CH2Cl 1-Butene, 4-chloro- bute1cl4  
1579 CH2CHCHClCH3 1-Butene, 3-chloro- bute1cl3  
1580 CH2ClCHCHCH3 2-Butene, 1-chloro- bute2cl1  
1581 CH3CClCHCH3 2-Butene, 2-chloro-, (E)- bute2cl2e  
1582 CH3CClCHCH3 2-Butene, 2-chloro-, (Z)- bute2cl2z  
1583 CHClCHCH2CH3 (E)-1-Chloro-1-butene bute1cl1  
1584 CHClCHCH2CH3 (Z)-1-Chloro-1-butene bute1cl1z  
1585 C4H9F 1-fluorobutane butaf1  
1586 CH3CHFCH2CH3 2-fluorobutane butaf2  
1587 CH2ClCH2CH2CH3 Butane, 1-chloro- butacl1  
1588 CH3CCl(CH3)CH3 Propane, 2-chloro-2-methyl- procl2me2  
1589 CH3CHClCH2CH3 Butane, 2-chloro- butacl2  
1590 XeF4 Xenon tetrafluoride xef4  
1591 C2H2N2O Furazan furazan  
1592 CF3PH2 phosphine, (trifluoromethyl)- cf3ph2  
1593 NH3BF3 Amminetrifluoroboron nh3bf3  
1594 C6H2 hexatriyne c6h2  
1595 C6H4 (E)-Hexa-1,5-diyne-3-ene c6h4e  
1596 C6H4 (Z)-Hexa-1,5-diyne-3-ene c6h4z  
1597 C6H4 Benzyne benzyne  
1598 C6H5 phenyl phenyl  
1599 C6H5- phenyl anion phenyl-  
1600 C6H6 Prismane prismane  
1601 C6H6 1,2,4,5-Hexatetraene ht1245  
1602 C6H6 2,4-Hexadiyne hexadiyne  
1603 C6H6 3,4-Dimethylenecyclobutene cb34m  
1604 C6H6 Benzene benzene  
1605 C6H6 Benzvalene bv  
1606 C6H6 Dewar Benzene dewar  
1607 C6H6 Hexa-1,5-diene-3-yne hdy153  
1608 C6H6 Trimethylenecycopropane tmcp  
1609 C6H6+ Benzene cation c6h6+  
1610 C6H7+ benzene, protonated c6h7+  
1611 C6H8 (E)-hexa-1,3,5-triene c821078  
1612 C6H8 (E)-hexa-2,3,4-triene c59660650  
1613 C6H8 (Z)-hexa-1,3,5-triene hexatri135  
1614 C6H8 (Z)-hexa-2,3,4-triene hetr234c  
1615 C6H8 1,3-Cyclohexadiene cyhexadiene13  
1616 C6H8 1,4-Cyclohexadiene cyhexadiene14  
1617 C6H8 3-Methylenecyclopentene c930267  
1618 C6H8 Bicyclo[2.1.1]hex-2-ene c822413  
1619 C6H8 Bicyclo[2.2.0]hex-1(4)-ene c30830207  
1620 C6H8 Bicyclo[3.1.0]hex-2-ene c694019  
1621 C6H10 1,3-Hexadiene, (E)- hexdi13e  
1622 C6H10 1,3-Hexadiene, (Z)- hexdi13z  
1623 C6H10 1,4-Hexadiene, (E)- hexdi14t  
1624 C6H10 1,4-Hexadiene, (Z)- hexdi14z  
1625 C6H10 1,5-Hexadiene c592427  
1626 C6H10 1-Butyne, 3,3-dimethyl- c917920  
1627 C6H10 1-Hexyne hexyne1  
1628 C6H10 2,4-Hexadiene, (E,E)- hexdi24ee  
1629 C6H10 2,4-Hexadiene, (E,Z)- hexdi24ez  
1630 C6H10 2,4-Hexadiene, (Z,Z)- hexdi24zz  
1631 C6H10 2-Hexyne c764352  
1632 C6H10 3-Hexyne hexyne3  
1633 C6H10 cyclohexene cyclohexene  
1634 C6H10 Cyclopentene, 1-methyl- c693890  
1635 C6H10 Cyclopentene, 3-methyl- c1120623  
1636 C6H10 Cyclopentene, 4-methyl- c1759815  
1637 C4H6(CH3)2 1,1-dimethylcyclobutane dmcb11  
1638 C6H12 (1R,2R)-1,2-dimethylcyclobutane dmcb12t  
1639 C6H12 (1r,3r)-1,3-dimethylcyclobutane dmcb13t  
1640 C6H12 (E)-2-Hexene e2hexene  
1641 C6H12 (E)-3-methylpent-2-ene c616126  
1642 C6H12 (E)-hex-3-ene e3hexene  
1643 C6H12 (Z)-3-methylpent-2-ene c922623  
1644 C6H12 (Z)-hex-2-ene z2hexene  
1645 C6H12 (Z)-hex-3-ene z3hexene  
1646 C6H12 2,3-dimethylbut-1-ene c563780  
1647 C6H12 2,3-dimethyl-but-2-ene tmeet  
1648 C6H12 3-methylenepentane c760214  
1649 C6H12 cis-1,2-dimethylcyclobutane dmcb12c  
1650 C6H12 cis-1,3-dimethylcyclobutane dmcb13c  
1651 C6H12 Cyclohexane cyclohexane  
1652 C6H12 Cyclopentane, methyl- c96377  
1653 C6H12 Ethylcyclobutane c4806615  
1654 C6H12 hex-1-ene hexene1  
1655 C6H14 Butane, 2,2-dimethyl- buta22  
1656 C6H14 Butane, 2,3-dimethyl- buta23  
1657 C6H14 Hexane hexane  
1658 C6H14 Pentane, 2-methyl- penta2  
1659 C6H14 Pentane, 3-methyl- penta3  
1660 C4N2 2-Butynedinitrile c4n2  
1661 N3P3 1,3,5,2,4,6-Triazatriphosphorine n3p3  
1662 C4H2N2 Fumaronitrile c4h2n2  
1663 C2H2N4 sym-tetrazine ttz  
1664 C3H3N3 1,3,5-Triazine triazine135  
1665 CH3N5 5-Aminotetrazole c4418615  
1666 C4H4N2 1,3-Diazine diazine13  
1667 C4H4N2 Pyrazine pyrazine  
1668 C4H4N2 Pyridazine pyridazine  
1669 C4H4N2 Succinonitrile c110612  
1670 C2H4N4 1H-Tetrazole, 1-methyl- c16681779  
1671 C2H4N4 1H-Tetrazole, 5-methyl- c4076362  
1672 C2H4N4 2H-Tetrazole, 2-methyl- c16681780  
1673 C5H5N Bicyclo[1.1.0]butane-1-carbonitrile bibucn  
1674 C5H5N E-2,4-pentadienenitrile bdcn  
1675 C5H5N Pyridine pyridine  
1676 B3N3H6 borazine borazine  
1677 C6H6 Fulvene fulvene  
1678 C5H6N+ Pyridinium c5h6n  
1679 C4H6N2 1H-Imidazole, 2-methyl- c693981  
1680 C5H7N (E)-2-Pentenenitrile c26294984  
1681 C5H7N (E)-3-Pentenenitrile c16529661  
1682 C5H7N (Z)-2-Pentenenitrile c25899507  
1683 C5H7N 1H-Pyrrole, 1-methyl- c96548  
1684 C5H7N Cyclobutanecarbonitrile c4426113  
1685 C5H9N 1,2,3,6-Tetrahydropyridine c694053  
1686 C5H9N Butanenitrile, 2-methyl- c18936179  
1687 C5H9N Pentanenitrile c110598  
1688 C5H9N Propanenitrile, 2,2-dimethyl- c630182  
1689 C6H10 Bicyclo[3.1.0]hexane c285585  
1690 C5H11N Cyclopentanamine cypentam  
1691 C5H11N Piperidine piper  
1692 C4H12N2 1,2-Butanediamine c4426486  
1693 C4H12N2 2-Methyl-1,2-propanediamine c811938  
1694 Li2CO3 Lithium Carbonate li2co3  
1695 Na2CO3 Sodium Carbonate na2co3  
1696 C2O4-- oxalate anion c2o4  
1697 MgSO4 Magnesium Sulfate mgso4  
1698 N2O4 Dinitrogen tetroxide n2o4  
1699 C3H2O3 vinylene carbonate vica  
1700 C2H2O4 Oxalic Acid oxalic  
1701 C2H3NO3 Oxamic acid oxamic  
1702 C4H4O2 2(5H)-Furanone furanone  
1703 C4H4O2 2-Oxetanone, 4-methylene- c674828  
1704 C2H4N2O2 Oxalamide oxalamide  
1705 C2H4N2S2 Ethanedithioamide c79403  
1706 C2H4CO3 Ethylene carbonate etco3  
1707 C3H4O2S 2H-Thiete-1,1-dioxide c7285327  
1708 C3H4S3 1,3-Dithiolane-2-thione c822388  
1709 C2H4O4 Formic acid dimer fadimer  
1710 C4H5NO 3-Methylisoxazole isox3m  
1711 C4H5NO Isoxazole, 5-methyl- c5765446  
1712 C4H5NS 4-Methylthiazole c693958  
1713 C2H5NO3 Nitric acid, ethyl ester c625581  
1714 C5H6O 2H-Pyran pyran2  
1715 C5H6O 2-methylfuran furan2m  
1716 C5H6O 3-Methylfuran furan3m  
1717 C5H6O Pentadienal pdal  
1718 C5H6S Thiophene, 2-methyl- c554143  
1719 C5H6S Thiophene, 3-methyl- c616444  
1720 C4H6O2 γ–Butyrolactone c96480  
1721 C4H6O2 2,3-Butanedione c431038  
1722 C4H6O2 2-Propenoic acid, methyl ester c96333  
1723 C4H6O2 Crotonic Acid crot  
1724 C4H6OS 2,3-dihydrothiophene-2-ol c9000117  
1725 C4H6OS 2,5-dihydrothiophene-3-ol c9000093  
1726 C4H6OS 4,5-dihydrothiophene-2-ol c9000106  
1727 C4H6OS 4,5-dihydrothiophene-3-ol c9000082  
1728 C4H6OS Dihydro-2-(3H)-thiophenone c1003107  
1729 C4H6OS Dihydro-3-(2H)-thiophenone c1003049  
1730 C4H6OS Vinyl sulfoxide c1115157  
1731 CH6N4S Carbonothioic dihydrazide thiacarb  
1732 C2H6N2O2 (E)-Azodioxymethane c37765154  
1733 C2H6N2O2 Dimethylnitroamine c4164287  
1734 C3H6O3 1,3,5-Trioxane trioxane  
1735 C3H6S3 1,3,5-Trithiane c3h6s3  
1736 C3H6S3 Carbonotrithioic acid, dimethyl ester c2314489  
1737 C2H6O3S Sulfurous acid, dimethyl ester c616422  
1738 C4H7NO 2-Pyrrolidinone c616455  
1739 C4H7NO Ethoxyacetonitrile etoaccn  
1740 C4H7NO Methacrylamide c79390  
1741 C4H7NO Oxazole, 4,5-dihydro-2-methyl- c1120645  
1742 HCONH2CN2H4 formamide aminomethanimine dimer d13  
1743 C3H7ONO Propyl nitrite prono  
1744 CH3CH(CH3)ONO Isopropyl nitrite c541424  
1745 CH3CH(NH2)COOH Alanine alanine  
1746 CH3NHCH2COOH Sarcosine sarcosine  
1747 NH2CH2CH2COOH β–alanine betaalanine  
1748 NH2COOC2H5 Urethane urethane  
1749 C5H8O 2H-Pyran, 3,4-dihydro- c110872  
1750 C5H8O Cyclopentanone c120923  
1751 C5H8O Furan, 2,3-dihydro-5-methyl- c1487156  
1752 C5H8O Methyl cyclopropyl ketone c765435  
1753 N(CH3)2CONH2 Urea, N,N-dimethyl- c598947  
1754 NH(CH3)CONH(CH3) Urea, N,N'-dimethyl- c96311  
1755 NH2CONHC2H5 Urea, ethyl- c625525  
1756 C4H8O2 1,3-Dioxane dioxan13  
1757 C4H8O2 1,3-Dioxolane, 2-methyl- c497267  
1758 C4H8O2 1,4-Dioxane dioxan14  
1759 C4H8O2 Ethene, 1,1-dimethoxy- c922690  
1760 C4H8O2 Ethyl acetate c141786  
1761 C4H8OS s-Ethyl thioacetate c625605  
1762 C3H8O3 1,2,3-Propanetriol glycerin  
1763 C3H8O2S (Methylsulfonyl)ethane c594434  
1764 C4H9NO Butanamide c541355  
1765 C4H9NO Propanamide, 2-methyl- c563837  
1766 C5H10O 2-Butanone, 3-methyl- c563804  
1767 C5H10O 2H-Pyran, tetrahydro- c142687  
1768 C5H10O 2-methylbutyraldehyde 2meba  
1769 C5H10O 2-Pentanone mpk  
1770 C5H10O 3-Pentanone dek  
1771 C5H10O Cyclopentanol c96413  
1772 C5H10O Oxetane, 3,3-dimethyl- c6921353  
1773 C5H10O Pentanal pal  
1774 C5H10S 2H-Thiopyran, tetrahydro- c1613510  
1775 C5H10S 3-Ethylthio-1-propene c5296628  
1776 C5H10S Cyclopentanethiol c1679078  
1777 C5H10S Thiophene, tetrahydro-2-methyl- c1795091  
1778 C5H10S Thiophene, tetrahydro-3-methyl- c4740005  
1779 C4H10O2 1,1-Dimethoxyethane c534156  
1780 C4H10O2 1,3-Butanediol budiol13  
1781 C4H10O2 1,4-Butanediol budiol14  
1782 C4H10O2 Ethane, 1,2-dimethoxy- c110714  
1783 C4H10OS Diethyl sulfoxide c70291  
1784 C4H10S2 1,4-Butanedithiol budisl14  
1785 C4H11NO Diethylhydroxylamine c3710847  
1786 C5H12O 1-Butanol, 2-methyl- c137326  
1787 C5H12O 1-Butanol, 3-methyl- c123513  
1788 C5H12O 1-Pentanol pentanol1  
1789 C5H12O 2-Butanol, 3-methyl- c598754  
1790 C5H12O 2-Pentanol peol2  
1791 C5H12O 3-Pentanol pentan3ol  
1792 C5H12O Butane, 1-methoxy- meobu  
1793 C5H12O Propane, 1-ethoxy- proet  
1794 C5H12O Propane, 2-methoxy-2-methyl- c1634044  
1795 C5H12S 1-Butanethiol, 2-methyl- c1878188  
1796 C5H12S 1-Butanethiol, 3-methyl- c541311  
1797 C5H12S 1-Pentanethiol c110667  
1798 C5H12S 1-Propanethiol, 2,2-dimethyl- c1679089  
1799 C5H12S 2-Butanethiol, 2-methyl- c1679090  
1800 C5H12S 2-Butanethiol, 3-methyl- c2084186  
1801 C5H12S Butane, 1-(methylthio)- c628295  
1802 C5H12S Ethyl propyl sulfide c4110503  
1803 C5H12S Propane, 2-(ethylthio)- c5145993  
1804 C5H12S Propane, 2-methyl-2-(methylthio)- c6163640  
1805 C4F2 difluorobutadiyne c4f2  
1806 ClCOClCO Oxalyl chloride oxcl  
1807 CF3CN Acetonitrile, trifluoro- cf3cn  
1808 CF3CN+ Acetonitrile, trifluoro- cation cf3cn+  
1809 B2F4 Diboron tetrafluoride b2f4  
1810 B2Cl4 Diboron tetrachloride b2cl4  
1811 C2F4 Tetrafluoroethylene c2f4  
1812 C2F4+ Tetrafluoroethylene cation c2f4+  
1813 C2ClF3 Ethene, chlorotrifluoro- c2f3cl  
1814 CF2CCl2 difluorodichloroethylene cf2ccl2  
1815 CFClCClF trans-1,2-dichloro-1,2-difluoroethylene cfclcclf  
1816 CFClCFCl cis-1,2-dichloro-1,2-difluoroethylene cfclcfcl  
1817 C2FCl3 fluorotrichloroethene c2fcl3  
1818 C2Cl4 Tetrachloroethylene c2cl4  
1819 C2Br4 tetrabromoethene c2br4  
1820 CF3OF Trifluoromethylhypofluorite cf3of  
1821 SiF5- silicon pentafluoride anion sif5-  
1822 SOF4 Sulfur tetrafluoride oxide sof4  
1823 PF5 Phosphorus pentafluoride pf5  
1824 AsF5 Arsenic pentafluoride asf5  
1825 PCl5 Phosphorus pentachloride pcl5  
1826 SF5 Sulfur pentafluoride sf5  
1827 SF5+ pentafluoro sulfur cation sf5+  
1828 SbCl5 Antimony pentachloride sbcl5  
1829 BrF5 bromine pentafluoride brf5  
1830 ClF5 chlorinepentafluoride clf5  
1831 IF5 pentafluoroiodine if5  
1832 CF3CHO trifluoroacetaldehyde cf3cho  
1833 CCl3CHO trichloroacetaldehyde ccl3cho  
1834 CHFClCHClF ethane, 1,2-dichloro-1,2-difluoro- chfclchclf  
1835 CF3CH2F 1,1,1,2-tetrafluoroethane cf3ch2f  
1836 CHF2CHF2 1,1,2,2-tetrafluoroethane chf2chf2  
1837 CF3CH2Cl 2,2,2-Trifluoroethyl chloride cf3ch2cl  
1838 CHFClCHFCl 1,2-dichloro-1,2-difluoroethane RR chfclchfcl  
1839 CH2ClCCl3 1,1,1,2-tetrachloroethane ch2clccl3  
1840 CHCl2CHCl2 Ethane, 1,1,2,2-tetrachloro- chcl2chcl2  
1841 CH2BrCBr3 1,1,1,2-tetrabromo ethane c2h2br4  
1842 CHCl2CHF2 1,1-dichloro-2,2-difluoroethane c2h2cl2f2  
1843 CF3COOH trifluoroacetic acid cf3cooh  
1844 C4H3ClO Furan, 2-chloro fur2cl  
1845 C4H3ClO Furan,3-chloro fur3cl  
1846 C3H5ClO2 Carbonochloridic acid, ethyl ester c541413  
1847 C3H5Cl3 Propane, 1,2,3-trichloro- prcl135  
1848 C4H8Cl2 1,4-Dichlorobutane c110565  
1849 C4H8Cl2 Butane, 1,2-dichloro- c616217  
1850 C4H8Cl2 Butane, 1,3-dichloro- c1190223  
1851 C4H8Cl2 Butane, 2,3-dichloro-, (r*,r*)-(.+/-.)- c2211678  
1852 C4H8Cl2 Butane, 2,3-dichloro-, (r*,s*)- c4028562  
1853 C4H9ClO 1-Chloro-2-ethoxyethane c628342  
1854 C5H11Cl Pentane, 1-chloro- pencl1  
1855 C4H8O2 Butanoic acid bua  
1856 C6H5CH2 benzyl radical benzyl  
1857 C7H7 cycloheptatrienyl radical c7h7  
1858 C7H7+ cycloheptatrienyl cation c7h7+  
1859 C6H5CH3 toluene toluene  
1860 C7H8 cycloheptatriene cht  
1861 C7H8 Norbornadiene norbor  
1862 C7H8 Quadricyclane qucy  
1863 C7H12 Norbornane nor  
1864 C7H14 cycloheptane c7h14  
1865 C7H16 2-methylhexane 2mhex  
1866 C7H16 3-methylhexane hex3m  
1867 C7H16 heptane heptane  
1868 CH(CN)3 tricyanomethane mecn3  
1869 HN=C=C(CN)2 Dicyanoketenimine c4hn3  
1870 C6H7N 2-Methylpyridine mp  
1871 C6H5NH2 aniline aniline  
1872 C6H13N 2-Methylpiperidine pip2m  
1873 C6H13N cyclohexanamine cham  
1874 C6H15N triethylamine tea  
1875 N2O5 Dinitrogen pentoxide n2o5  
1876 C4H2O3 Maleic Anhydride malan  
1877 C5H4O2 4-Cyclopentene-1,3-dione cpdio  
1878 C5H4O2 furfural furfural  
1879 C6H5O phenoxy radical phenoxy  
1880 C5H5NO 2(1H)-Pyridinone c72762006  
1881 C5H5NO 2(3H)-Pyridinone c9000048  
1882 C5H5NO 2(5H)-Pyridinone c9000037  
1883 C5H5NO 2-Pyridinol c109104  
1884 C5H5NO 3(2H)-Pyridinone c9000004  
1885 C5H5NO 3(4H)-Pyridinone c9000026  
1886 C5H5NO 3(6H)-Pyridinone c9000015  
1887 C5H5NO 3-Pyridinol c109002  
1888 C5H5NO 4(1H)-Pryidinone c9000060  
1889 C5H5NO 4(3H)-Pryidinone c9000059  
1890 C5H5NO 4-Pyridinol c626642  
1891 C6H5OH phenol phenol  
1892 C6H6O 2,4-Cyclohexadienone c24599573  
1893 C6H6O 2,5-Cyclohexadienone c5664335  
1894 C6H5SH Benzenethiol phsh  
1895 HO2CCHNH2CH2OH Serine serine  
1896 C5H8O2 Acetylacetone acac  
1897 C4H8O2S Sulfolane sulfolane  
1898 C7H10 Norbornene norbornene  
1899 CH(C2H3)3 trivinyl methane tvm  
1900 C6H10O cyclohexanone chexo  
1901 C6H12O hexanal c6h12o  
1902 C6H12O Oxepane oxepane  
1903 C3H7OC3H7 di-n-propyl ether propr  
1904 F2CCCF2 tetrafluoroallene pfa  
1905 CF3COO- trifluoro acetate anion cf3coo-  
1906 CF3COF trifluoroacetyl fluoride cf3cof  
1907 CF3COCl trifluoroacetyl chloride cf3cocl  
1908 PF6 Hexafluorophosphate neutral pf6  
1909 PF6- Hexafluorophosphate ion pf6-  
1910 SF6 Sulfur Hexafluoride sf6  
1911 SeF6 Selenium hexafluoride sef6  
1912 SF5Cl sulfur chloropentafluoride sf5cl  
1913 CF3CHF2 pentafluoroethane cf3chf2  
1914 CF3CHFCl 1,1,1,2-tetrafluorochloroethane cf3chfcl  
1915 CF3CHCl2 1,1-Dichloro-2,2,2-trifluoroethane cf3chcl2  
1916 CHCl2CClF2 Ethane, 1,2,2-trichloro-1,1-difluoro- chcl2cclf2  
1917 CCl3CHCl2 pentachloroethane ccl3chcl2  
1918 C6H5F Fluorobenzene bzf  
1919 C6H5Cl chlorobenzene bzcl  
1920 C6H5Br bromobenzene bzbr  
1921 C8H6 Calicene calicene  
1922 C6H5CCH phenylacetylene phac  
1923 C8H6 benzocyclobutadiene bcbd  
1924 C8H6 Pentalene pentalene  
1925 C6H5CHCH2 Styrene styrene  
1926 C8H8 cubane cubane  
1927 C8H8 cyclooctatetraene cot  
1928 C6H5CH2CH3 Ethylbenzene etbz  
1929 CH3C6H4CH3 meta-xylene mxylene  
1930 CH3C6H4CH3 paraxylene pxylene  
1931 C8H14 Bicyclo[2.2.2]octane bico222  
1932 C8H16 cyclooctane cyclooct  
1933 (CH3)3CC(CH3)3 tetramethylbutane tmb  
1934 C8H18 Octane c8h18  
1935 C6H5CN phenyl cyanide phcn  
1936 C6H12N2 Triethylenediamine ted  
1937 C4O4-- squarate dianion c4o4--  
1938 S4N4 Tetrasulfur tetranitride s4n4  
1939 S8 Octasulfur s8  
1940 C6H4O2 parabenzoquinone pbq  
1941 C4H4N2O2 Uracil uracil  
1942 C6H5OCH3 Anisole anisole  
1943 C5H9NO2 Proline proline  
1944 C6H12O2 Methyl pivalate c598981  
1945 C6H12O2 Hexanoic acid hexa  
1946 C4F4 tetrafluorcyclobutadiene c4f4  
1947 Al2Cl6 Aluminum, di-μ-chlorotetrachlorodi- al2cl6  
1948 CF3CF2Cl pentafluorochloroethane cf3cf2cl  
1949 CF2ClCF2Cl 1,2-Dichloro-1,1,2,2-tetrafluoroethane cf2clcf2cl  
1950 CF3CFCl2 1,1-Dichlorotetrafluoroethane cf3cfcl2  
1951 CF2ClCFCl2 Ethane, 1,1,2-trichloro-1,2,2-trifluoro- cf2clcfcl2  
1952 CF3CCl3 1,1,1-trifluoro-2,2,2-trichloroethane cf3ccl3  
1953 C2F6 hexafluoroethane c2f6  
1954 C2Cl6 hexachloroethane c2cl6  
1955 IF7 Iodine heptafluoride if7  
1956 C6H4F2 metadifluorobenzene mdfb  
1957 C6H4F2 orthodifluorobenzene odfb  
1958 C6H4F2 1,4-difluorobenzene pdfb  
1959 C6H4Cl2 1,2-dichlorobenzene dcb12  
1960 C6H4Cl2 1,3-dichlorobenzene dcb13  
1961 C6H4Cl2 1,4-dichlorobenzene dcb14  
1962 C6H5NO nitrosobenzene bzno  
1963 C9H8 Indene indene  
1964 C9H8 spiro[4.4]nona-1,3,6,8-tetraene snt  
1965 C9H12 n-propyl benzene prbz  
1966 C9H20 Nonane nonane  
1967 C(CN)4 tetracyanomethane c5n4  
1968 C5H4N4 purine purine  
1969 C8H7N Indole indole  
1970 C3H3N3O3 cyanuric acid cyanuric  
1971 C6H5NO2 Nitrobenzene c6h5no2  
1972 C6H5COOH benzoic acid benzo  
1973 CH3COC6H5 acetophenone acph  
1974 C3Cl3N3 1,3,5-Triazine, 2,4,6-trichloro- c3cl3n3  
1975 C3F6 hexafluoropropene c3f6  
1976 C6H3F3 Benzene trifluoride 123 bzf3a  
1977 C8H18O 1-Octanol octanol  
1978 C10H8 Azulene azu  
1979 C10H8 naphthalene naph  
1980 C10H10 bullvalene bullv  
1981 C10H16 adamantane adamantane  
1982 C6N4 Tetracyanoethylene tcne  
1983 C6N4- tetracyanoethylene anion tcne-  
1984 C10H22 Decane decane  
1985 C4F6 perfluorobutadiene c4f6  
1986 SF5CF3 Sulfur, pentafluoro(trifluoromethyl)- sf5cf3  
1987 C3F8 perfluoropropane c3f8  
1988 Fe(CO)5 Iron pentacarbonyl ipc  
1989 Fe(C5H5)2 ferrocene fecp2  
1990 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
1991 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
1992 C12H8 Acenaphthylene acenaph  
1993 C12H8 biphenylene biph  
1994 C12H10 biphenyl biphenyl  
1995 C12H10 Heptalene heptalene  
1996 C6H12O6 Inositol inositol  
1997 C6F6 hexafluorobenzene c6f6  
1998 S2F10 disulphur decafluoride s2f10  
1999 C13H10 Fluorene fluorene  
2000 C14H10 Anthracene anth  
2001 C14H10 Phenanthrene phenanthrene  
2002 C14H14 Bibenzyl bibenzyl  
2003 C12H10N2 azobenzene azobenzene  
2004 C6H5COC6H5 benzophenone benzophenone  
2005 C16H10 Pyrene pyrene  
2006 C18H12 Tetracene tetracene  
2007 C19H16 Triphenylmethane tpm  
2008 C24H12 Coronene coronene  
2009 C60 Buckminsterfullerene c60