return to home page Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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List of which calculations are completed at CCSD// B3LYP/6-31G* /cc-pVTZ

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count Species Name State Conformation
1 H Hydrogen atom 1SKh
2 H+ Hydrogen atom cation  Kh
3 B Boron atom 2PKh
4 Al Aluminum atom 2PKh
5 BH Boron monohydride 1ΣC∞v
6 AlH aluminum monohydride 1ΣC∞v
7 BH2 boron dihydride 2A1C2v
8 AlH2 aluminum dihydride 2A1C2v
9 BH3 boron trihydride 1A1'D3h
10 AlH3 aluminum trihydride 1A1'D3h
11 C Carbon atom 3P0Kh
12 Si Silicon atom 3PKh
13 CH Methylidyne 2Π1/2C∞v
14 SiH Silylidyne 2ΠC∞v
15 CH2 Methylene 3B1C2v
16 SiH2 silicon dihydride 1A1C2v
17 CH3 Methyl radical 2A1D3h
18 SiH3 Silyl radical 2A1C3v
19 CH4 Methane 1A1Td
20 SiH4 Silane 1A1Td
21 P Phosphorus atom 4SKh
22 NH Imidogen 3Σ-C∞v
23 PH phosphorus monohydride 3Σ-C∞v
24 ND2 Amidogen-d2 2B1C2v
25 NH2 Amino radical 2B1C2v
26 PH2 Phosphino radical 2B1C2v
27 ND3 Ammonia-d3 1A1C3v
28 NH3 Ammonia 1A1C3v
29 PH3 Phosphine 1A1C3v
30 O Oxygen atom 3SKh
31 S Sulfur atom 3PKh
32 DO Hydroxyl-d 2ΠC∞v
33 OH Hydroxyl radical 2ΠC∞v
34 DS Mercapto-d 2ΠC∞v
35 D2O Deuterium oxide 1A1C2v
36 H2O Water 1A1C2v
37 HDO Water-d1 1A1C2v
38 D2S Hydrogen sulfide-d2 1A1C2v
39 H2S Hydrogen sulfide 1A1C2v
40 F Fluorine atom 2PKh
41 Cl Chlorine atom 2PKh
42 DF Hydrofluoric acid-d 1ΣC∞v
43 HF Hydrogen fluoride 1ΣC∞v
44 DCl Hydrochloric acid-d 1ΣC∞v
45 HCl Hydrogen chloride 1ΣC∞v
46 Al2 Aluminum diatomic 3ΣgD∞h
47 C2 Carbon diatomic 1Σg+D∞h
48 SiC silicon monocarbide 3ΣC∞v
49 Si2 Silicon diatomic 3ΣgD∞h
50 C2H2 Acetylene 1ΣgD∞h
51 C2H3 vinyl 2A'Cs
52 C2H4 Ethylene 1AgD2h
53 C2H5 Ethyl radical 2A'Cs
54 C2H6 Ethane 1A1gD3d
55 CH3SiH3 methyl silane 1A1C3
56 Si2H6 disilane 1EuD3d
57 CN Cyano radical 2ΣC∞v
58 CP Carbon monophosphide 2ΣC∞v
59 SiN Silicon nitride 2ΣC∞v
60 N2 Nitrogen diatomic 1ΣgD∞h
61 PN Phosphorus mononitride 1ΣC∞v
62 P2 Phosphorus diatomic 1ΣgD∞h
63 HCN Hydrogen cyanide 1ΣC∞v
64 HCP Phosphaethyne 1ΣC∞v
65 HPO Hydrogen phosphorus oxide 1A'Cs
66 CH2NH Methanimine 1A'Cs
67 CH2PH Phosphaethene 1A'Cs
68 N2H4 Hydrazine 1AC2
69 P2H4 Diphosphine 1AC2
70 CH3NH2 methyl amine 1A'Cs
71 CH3PH2 Methyl phosphine 1A'Cs
72 BO boron monoxide 2ΣC∞v
73 AlO Aluminum monoxide 2ΣC∞v
74 BS boron sulfide 2ΣC∞v
75 AlS Aluminum sulfide 2ΣC∞v
76 CO Carbon monoxide 1ΣC∞v
77 CS carbon monosulfide 1ΣC∞v
78 SiO Silicon monoxide 1ΣC∞v
79 SiS silicon monosulfide 1ΣC∞v
80 NO Nitric oxide 2ΠC∞v
81 NS Mononitrogen monosulfide 2ΠC∞v
82 PO Phosphorus monoxide 2ΠC∞v
83 PS phosphorus sulfide 2ΣC∞v
84 O2 Oxygen diatomic 3ΣgD∞h
85 SO Sulfur monoxide 3ΣC∞v
86 S2 Sulfur diatomic 3ΣgD∞h
87 HBO Boron hydride oxide 1ΣC∞v
88 HCO Formyl radical 2A'Cs
89 HNO Nitrosyl hydride 1A'Cs
90 HO2 Hydroperoxy radical 2A"Cs
91 H2CO Formaldehyde 1A1C2v
92 H2CS Thioformaldehyde 1A1C2v
93 H2O2 Hydrogen peroxide 1AC2
94 H2S2 Disulfane 1AC2
95 CH2OH Hydroxymethyl radical 2AC1
96 CH3O Methoxy radical 2A'C1
97 CH3S thiomethoxy 2A'C3v
98 NH2OH hydroxylamine 1A'Cs
99 CH3OH Methyl alcohol 1A'Cs
100 CH3SH Methanethiol 1A'Cs
101 BF Boron monofluoride 1ΣC∞v
102 AlF Aluminum monofluoride 1Σ+C∞v
103 BCl boron monochloride 1ΣC∞v
104 CF Fluoromethylidyne 2ΠC∞v
105 CCl carbon monochloride 2ΠC∞v
106 SiF silicon monofluoride 2ΠC∞v
107 SiCl Clorosilylidyne 2ΠC∞v
108 NF nitrogen fluoride 3ΣC∞v
109 PF phosphorus monofluoride 3ΣC∞v
110 PCl phosphorus chloride 3ΣC∞v
111 FO Oxygen monofluoride 2ΠC∞v
112 ClO Monochlorine monoxide 2ΠC∞v
113 SF Monosulfur monofluoride 2ΠC∞v
114 SCl sulfur monochloride 2ΠC∞v
115 F2 Fluorine diatomic 1ΣgD∞h
116 ClF Chlorine monofluoride 1Σ+C∞v
117 Cl2 Chlorine diatomic 1ΣgD∞h
118 HCF Fluoromethylene 1A'Cs
119 HOF Hypofluorous acid 1A'Cs
120 DOCl Hypochlorous acid-d 1A'Cs
121 HOCl hypochlorous acid 1A'Cs
122 CH3F Methyl fluoride 1A1C3v
123 CH3Cl Methyl chloride 1A1C3v
124 SiH3F monofluorosilane 1A1C3v
125 SiH3Cl chlorosilane 1A1C1
126 C3 carbon trimer 1ΣgD∞h
127 C3H3 Propargyl radical 2B1Cs
128 CH2CCH2 allene 1A1D2d
129 CH3CCH propyne 1A'C3v
130 C3H6 Cyclopropane 1A1'D3h
131 CH2CHCH3 Propene 1A'Cs
132 C3H7 n-Propyl radical 2A"C1
133 C3H8 Propane 1A1C2v
134 CH3CN Acetonitrile 1A1C3v
135 C2H5N Aziridine 1A'C1
136 CH3CH2NH2 Ethylamine 1A'Cs
137 CH3NHCH3 Dimethylamine 1A'Cs
138 BO2 Boron dioxide 2A'D∞h
139 N2O Nitrous oxide 1ΣC∞v
140 CO2 Carbon dioxide 1ΣgD∞h
141 OCS Carbonyl sulfide 1ΣC∞v
142 SiO2 silicon dioxide 1ΣgD∞h
143 CS2 Carbon disulfide 1ΣgD∞h
144 NO2 Nitrogen dioxide 2A1C2v
145 PO2 Phosphorus dioxide 2A1C2v
146 O3 Ozone 1A1Cs
147 SO2 Sulfur dioxide 1A1C2v
148 SSO Disulfur monoxide 1A'Cs
149 HNCO Isocyanic acid 1A'Cs
150 HNO2 Nitrous acid 1A'Cs
151 CH2CO Ketene 1A1C2v
152 HCOOH Formic acid 1A'Cs
153 C2H4O Ethylene oxide 1A1C2v
154 CH3CHO Acetaldehyde 1A'Cs
155 C2H4S Thiirane 1A1C2v
156 CH3CHS Thioacetaldehyde 1A'C1
157 CH3CH2OH Ethanol 1A'Cs
158 CH3OCH3 Dimethyl ether 1A1C2v
159 CH3CH2SH ethanethiol 1A'Cs
160 CH3SCH3 Dimethyl sulfide 1A1C2v
161 ClCN chlorocyanogen 1ΣC∞v
162 FNO Nitrosyl fluoride 1A'Cs
163 ClNO Nitrosyl chloride 1A'Cs
164 CF2 Difluoromethylene 1A1D∞h
165 CCl2 dichloromethylene 1A1C2v
166 SiCl2 Dichlorosilylene 1A1C2v
167 FOO Dioxygen monofluoride radical 2A"Cs
168 ClOO chloroperoxy radical 2A"Cs
169 OClO Chlorine dioxide 2B1D∞h
170 ClS2 Sulfur chloride 2A"Cs
171 NF2 Difluoroamino radical 2B1C2v
172 F2O Difluorine monoxide 1A1C2v
173 Cl2O Dichlorine monoxide 1A1C2v
174 BHF2 Difluoroborane 1A1C2v
175 BHCl2 Borane, dichloro- 1A1C2v
176 CH2F2 Methane, difluoro- 1A1C2v
177 CH2Cl2 Methylene chloride 1A1C2v
178 CH2CHF Ethene, fluoro- 1A'Cs
179 C2H3Cl Ethene, chloro- 1A'Cs
180 CH3CH2Cl Ethyl chloride 1A'Cs
181 C2F6 hexafluoroethane 1A1gD3d

Species NOT done yet
count Species Name file name problem
1 D Deuterium atom d  
2 D- Deuterium atom anion d-  
3 D+ Deuterium atom cation d+  
4 H- Hydrogen atom anion h-  
5 D2 Deuterium diatomic d2  
6 H2 Hydrogen diatomic h2  
7 H2- hydrogen diatomic anion h2-  
8 H2+ Hydrogen cation h2+  
9 HD Deuterium hydride hd  
10 H3+ hydrogen trimer cation h3+  
11 He Helium atom he  
12 He- Helium atom anion he-  
13 He+ Helium atom cation he+  
14 HeH Helium hydride heh  
15 HeH+ Helium hydride cation heh+  
16 He2+ helium diatomic cation he2+  
17 Li Lithium atom li  
18 Li- Lithium atom anion li-  
19 Li+ Lithium atom cation li+  
20 Na Sodium atom na  
21 Na- Sodium atom anion na-  
22 Na+ Sodium atom cation na+  
23 K Potassium atom k  
24 K- Potassium atom anion k-  
25 K+ Potassium atom cation k+  
26 Cu Copper atom cu  
27 Cu- Copper atom anion cu-  
28 Cu+ Copper atom cation cu+  
29 LiH Lithium Hydride lih  
30 LiH- lithium hydride anion lih-  
31 LiH+ lithium hydride cation lih+  
32 NaH sodium hydride nah  
33 NaH- sodium hydride anion nah-  
34 NaH+ sodium hydride cation nah+  
35 KH Potassium hydride kh  
36 KH+ Potassium hydrogen cation kh+  
37 CuH Copper monohydride cuh  
38 Be Beryllium atom be  
39 Be- Beryllium atom anion be-  
40 Be+ Beryllium atom cation be+  
41 Mg Magnesium atom mg  
42 Mg- Magnesium atom anion mg-  
43 Mg+ Magnesium atom cation mg+  
44 Ca Calcium atom ca  
45 Ca- Calcium atom anion ca-  
46 Ca+ Calcium atom cation ca+  
47 Zn Zinc atom zn  
48 Zn- Zinc atom anion zn-  
49 Zn+ Zinc atom cation zn+  
50 BeH beryllium monohydride beh  
51 BeH- berylium monohydride anion beh-  
52 BeH+ beryllium monohydride cation beh+  
53 MgH magnesium monohydride mgh  
54 MgH- magnesium monohydride anion mgh-  
55 MgH+ magnesium monohydride cation mgh+  
56 CaH Calcium monohydride cah  
57 CaH+ Calcium monohydride cation cah+  
58 TiH Titanium monohydride tih  
59 ZnH Zinc monohydride znh  
60 ZnH+ Zinc, protonated znh+  
61 BeH2 beryllium dihydride beh2  
62 BeH2+ Beryllium dihydride cation beh2+  
63 MgH2 magnesium dihydride mgh2  
64 CaH2 Calcium Hydride cah2  
65 ZnH2 Zinc hydride znh2  
66 B- Boron atom anion b-  
67 B+ Boron atom cation b+  
68 Al- Aluminum atom anion al-  
69 Al+ Aluminum atom cation al+  
70 Sc Scandium atom sc  
71 Sc+ Scandium cation sc+  
72 Ga Gallium atom ga  
73 Ga- Gallium atom anion ga-  
74 Ga+ Gallium atom cation ga+  
75 BH- boron monohydride anion bh-  
76 BH+ boron monohydride cation bh+  
77 AlH- aluminum monohydride anion alh-  
78 AlH+ aluminum monohydride cation alh+  
79 ScH Scandium monohydride sch  
80 ScH+ Scandium monohydride cation sch+  
81 GaH Gallium monohydride gah  
82 GaH+ Gallium monohydride cation gah+  
83 BH2- boron dihydride anion bh2-  
84 BH2+ Boron dihydride cation bh2+  
85 AlH2- aluminum dihydride anion alh2-  
86 AlH2+ aluminum dihydride cation alh2+  
87 BH3- boron trihydride anion bh3-  
88 BH3+ boron trihydride cation bh3+  
89 AlH3- aluminum trihydride anion alh3-  
90 AlH3+ aluminum trihydride cation alh3+  
91 ScH3 Scandium trihydride sch3  
92 GaH3 Gallium trihydride gah3  
93 BH4 borohydride bh4  
94 BH4- borohydride anion bh4-  
95 AlH4- Aluminum tetrahydride anion alh4-  
96 C- Carbon atom anion c-  
97 C+ Carbon atom cation c+  
98 Si- Silicon atom anion si-  
99 Si+ Silicon atom cation si+  
100 Ti Titanium atom ti  
101 Ti- Titanium atom anion ti-  
102 Ti+ Titanium atom cation ti+  
103 Ge Germanium atom ge  
104 Ge- Germanium anion ge-  
105 Ge+ Germanium cation ge+  
106 Sn Tin atom sn  
107 Sn+ Tin cation sn+  
108 CH- methylidyne anion ch-  
109 CH+ Methylidyne cation ch+  
110 SiH- silicon monohydride anion sih-  
111 SiH+ silicon monohydride cation sih+  
112 GeH germylidene geh  
113 GeH+ Germaniun monohyrdide cation geh+  
114 CH2- methylene anion ch2-  
115 CH2+ methylene cation ch2+  
116 SiH2- silicon dihydride anion sih2-  
117 SiH2+ silicon dihydride cation sih2+  
118 GeH2 germylene geh2  
119 GeH2- germylene anion geh2-  
120 CH3- methyl anion ch3-  
121 CH3+ methyl cation ch3+  
122 SiH3- Silyl anion sih3-  
123 SiH3+ Silyl cation sih3+  
124 GeH3 Germyl radical geh3  
125 GeH3+ germyl cation geh3+  
126 CD4 methane-d4 cd4  
127 CH2D2 methane-d2 ch2d2  
128 CH3D methane-d ch3d  
129 CH4- Methane anion ch4-  
130 CH4+ Methane cation ch4+  
131 CHD3 methane-d3 chd3  
132 SiH2D2 silane-d2 sih2d2  
133 SiH4+ Silane cation sih4+  
134 GeH4 Germane geh4  
135 SnH4 Stannane snh4  
136 SiH5+ Silane, protonated sih5+  
137 N Nitrogen atom n  
138 N- Nitrogen atom anion n-  
139 N+ Nitrogen atom cation n+  
140 P- Phosphorus atom anion p-  
141 P+ Phosphorus atom cation p+  
142 V Vanadium atom v  
143 V+ Vanadium atom cation v+  
144 As Arsenic atomic as  
145 As- Arsenic anion as-  
146 As+ Arsenic cation as+  
147 Sb Antimony atom sb  
148 NH- Imidogen anion nh-  
149 NH+ imidogen cation nh+  
150 PH- phosphorus monohydride anion ph-  
151 PH+ phosphorus monohydride cation ph+  
152 AsH Arsenic monohydride ash  
153 AsH+ Arsenic monohydride cation ash+  
154 SbH Antimony monohydride sbh  
155 NH2- amino anion nh2-  
156 NH2+ Amino cation nh2+  
157 PH2- Phosphino anion ph2-  
158 PH2+ Phosphino cation ph2+  
159 AsH2 Arsenic dihydride ash2  
160 AsH2+ Arsenic dihydride cation ash2+  
161 NH3- Ammonia anion nh3-  
162 NH3+ ammonia cation nh3+  
163 PH3+ Phosphine cation ph3+  
164 AsH3 Arsine ash3  
165 AsH3+ Arsine cation ash3+  
166 SbH3 Stibine sbh3  
167 AsH4+ Arsonium ash4+  
168 NH4 Ammonium radical nh4  
169 NH4+ ammonium cation nh4+  
170 PH4 Phosphoranyl radical ph4  
171 PH4+ phosphonium cation ph4+  
172 O- Oxygen atom anion o-  
173 O+ Oxygen atom cation o+  
174 S- Sulfur atom anion s-  
175 S+ Sulfur atom cation s+  
176 Cr Chromium atom cr  
177 Se Selenium atom se  
178 Se- Selenium atom anion se-  
179 Se+ Selenium atom cation se+  
180 Te Tellurium atom te  
181 Te+ Tellurium atom cation te+  
182 OH- hydroxide anion oh-  
183 OH+ hydoxyl cation oh+  
184 HS Mercapto radical hs  
185 HS- mercapto anion sh-  
186 HS+ sulfur monohydride cation sh+  
187 CrH Chromium hydride crh  
188 CrH+ Chromium hydride cation crh+  
189 HSe Selenium monohydride hse  
190 HSe- selenium monohydride anion hse-  
191 HSe+ selenium monohydride cation hse+  
192 TeH Telluryl radical teh  
193 H2O- water anion h2o-  
194 H2O+ water cation h2o+  
195 H2S- Hydrogen sulfide anion h2s-  
196 H2S+ Hydrogen sulfide cation h2s+  
197 H2Se Hydrogen selenide h2se  
198 H2Se+ Hydrogen selenide cation h2se+  
199 H2Te Hydrogen Telluride h2te  
200 H3O+ hydronium cation h3o+  
201 H3S+ Sulfonium cation h3s+  
202 H3Se+ Hydrogen Selenide, protonated h3se+  
203 F- Fluorine atom anion f-  
204 F+ Fluorine atom cation f+  
205 Cl- Chlorine atom anion cl-  
206 Cl+ Chlorine atom cation cl+  
207 Mn Manganese atom mn  
208 Br Bromine atom br  
209 Br- Bromine atom anion br-  
210 Br+ Bromine atom cation br+  
211 I Iodine atom iodine  
212 I- Iodine atom anion iodine-  
213 I+ Iodine atom cation iodine+  
214 HF- hydrogen fluoride anion hf-  
215 HF+ hydrogen fluoride cation hf+  
216 HCl- hydrogen chloride anion hcl-  
217 HCl+ hydrogen chloride cation hcl+  
218 HBr hydrogen bromide hbr  
219 HBr- hydrogen bromide anion hbr-  
220 HBr+ hydrogen bromide cation hbr+  
221 HI Hydrogen iodide hi  
222 HI+ Hydrogen iodide cation hi+  
223 H2F+ dihydrogen fluoride cation h2f+  
224 H2Cl+ dihydrogen monochloride cation h2cl+  
225 H2Br+ protonated hydrogen bromide h2br+  
226 H2I+ Iodonium h2i+  
227 Ne Neon atom ne  
228 Ne- Neon atom anion ne-  
229 Ne+ Neon atom cation ne+  
230 Ar Argon atom ar  
231 Ar- Argon atom anion ar-  
232 Ar+ Argon atom cation ar+  
233 Fe Iron atom fe  
234 Kr Krypton atom kr  
235 Kr+ Krypton cation kr+  
236 Xe Xenon atom xe  
237 HeLi+ Helium Lithium cation heli+  
238 NeH neon hydrogen neh  
239 NeH+ neon hydrogen cation neh+  
240 ArH+ Argon hydride cation arh+  
241 KrH+ Protonated Krypton krh+  
242 XeH+ Xenon, protonated xeh+  
243 H2Ar H2 Ar dimer h2ar  
244 Co Cobalt atom cobalt  
245 Ni Nickel atom ni  
246 Li2 Lithium diatomic li2  
247 Li2- lithium diatomic anion li2-  
248 Li2+ lithium diatomic cation li2+  
249 NaLi lithium sodium lina  
250 NaLi- lithium sodium anion lina-  
251 NaLi+ lithium sodium cation lina+  
252 LiK Lithium Potassium lik  
253 Na2 Sodium diatomic na2  
254 Na2- sodium diatomic anion na2-  
255 Na2+ sodium diatomic cation na2+  
256 NaK Sodium Potassium nak  
257 NaK+ Sodium Potassium diatomic cation nak+  
258 K2 Potassium diatomic k2  
259 Cu2 Copper diatomic cu2  
260 LiBe Lithium Beryllium libe  
261 LiMg Lithium magnesium limg  
262 NaBe Sodium Beryllium nabe  
263 NaMg Sodium Magnesium namg  
264 Be2 Beryllium diatomic be2  
265 Be2- Beryllium diatomic anion be2-  
266 Be2+ Beryllium diatomic cation be2+  
267 BeMg Beryllium Magnesium bemg  
268 Mg2 Magnesium diatomic mg2  
269 Mg2- magnesium diatomic anion mg2-  
270 Mg2+ magnesium diatomic cation mg2+  
271 Ca2 Calcium diatomic ca2  
272 LiB Lithium boride lib  
273 LiAl Lithium Aluminum lial  
274 NaAl Sodium aluminum naal  
275 BeB Beryllium monoboride beb  
276 B2 Boron diatomic b2  
277 B2- Boron diatomic anion b2-  
278 B2+ Boron diatomic cation b2+  
279 BAl Boron Aluminum bal  
280 Al2- aluminum diatomic anion al2-  
281 Al2+ aluminum diatomic cation al2+  
282 BGa Boron Gallium bga  
283 AlGa Aluminum Gallium alga  
284 Ga2 Gallium diatomic ga2  
285 HBBH Diborane(2) hbbh  
286 LiBH4 Lithium borohydride libh4  
287 B2H4 Diborane(4) D2d b2h4  
288 HBHHBH Diborane(4) C2V hbhhbh  
289 B2H6 Diborane b2h6  
290 B2H6+ Diborane cation b2h6  
291 Al2H6 dialane al2h6  
292 Ga2H6 digallane ga2h6  
293 LiC Lithium Carbide lic  
294 BeC Beryllium Carbide bec  
295 CaC Calcium monocarbide cac  
296 BC boron monocarbide bc  
297 BC- boron monocarbide anion bc-  
298 BC+ boron monocarbide cation bc+  
299 AlC Aluminum carbide alc  
300 BSi Boron silicide bsi  
301 C2- carbon diatomic anion c2-  
302 C2+ carbon diatomic cation c2+  
303 SiC- silicon monocarbide anion sic-  
304 SiC+ silicon monocarbide cation sic+  
305 Si2- silcon diatomic anion si2-  
306 Si2+ silcon diatomic cation si2+  
307 GeC Germanium monocarbide gec  
308 SiGe Silicon Germanium sige  
309 Ge2 Germanium diatomic ge2  
310 C2H Ethynyl radical c2h  
311 C2H- Ethynyl anion c2h-  
312 C2H+ Ethynyl cation c2h+  
313 ZnCH2 Zinc methylene znch2  
314 C2H2+ acetylene cation c2h2+  
315 CCH2 vinylidene vinylidene  
316 H2CC- vinylidene anion h2cc-  
317 HCCH- acetylene anion c2h2-  
318 Si2H2 disilyne si2h2  
319 CH3Li methyl lithium ch3li  
320 CuCH3 monomethyl copper cuch3  
321 ZnCH3 Zinc monomethyl znch3  
322 CH2BH methyleneborane ch2bh  
323 C2H3- vinyl anion c2h3-  
324 C2H3+ vinyl cation c2h3+  
325 C2H4- Ethylene anion c2h4-  
326 C2H4+ Ethylene cation c2h4+  
327 CH3CH methylmethylene ch3ch  
328 CH2SiH2 silaethylene ch2sih2  
329 Si2H4 Disilene si2h4  
330 CH3BH2 methylborane ch3bh2  
331 C2H5- Ethyl anion c2h5-  
332 C2H5+ Ethyl cation c2h5+  
333 C2H6+ ethane cation c2h6+  
334 GeH3CH3 methyl germane geh3ch3  
335 C2H7+ Ethane, protonated c2h7+  
336 LiN Lithium Nitride lin  
337 LiN+ Lithium Nitride cation lin+  
338 LiP Lithium monophosphide lip  
339 BeN Beryllium mononitride ben  
340 BeN- Beryllium mononitride anion ben-  
341 BeN+ Beryllium mononitride cation ben+  
342 MgN Magnesium Nitride mgn  
343 BN- boron nitride anion bn-  
344 AlN- aluminum mononitride anion aln-  
345 AlN+ aluminum mononitride cation aln+  
346 BP Boron monophosphide bp  
347 AlP Aluminum monophosphide alp  
348 GaN Gallium mononitride gan  
349 GaP Gallium monophosphide gap  
350 GaAs Gallium arsenide gaas  
351 BN boron nitride bn  
352 BN+ boron nitride cation bn+  
353 AlN Aluminum nitride aln  
354 CN- cyanide anion cn-  
355 CN+ Cyano cation cn+  
356 CP- carbon monophosphide anion cp-  
357 CP+ carbon monophosphide cation cp+  
358 SiN- silicon mononitride anion sin-  
359 SiN+ silicon mononitride cation sin+  
360 SiP Silicon monophosphide sip  
361 SiP- Silicon monophosphide anion sip-  
362 SiP+ Silicon monophosphide cation sip+  
363 TiN Titanium mononitride tin  
364 N2- nitrogen diatomic anion n2-  
365 N2+ diatomic nitrogen cation n2+  
366 PN- phosphorus nitride anion pn-  
367 PN+ phosphorus nitride cation pn+  
368 P2- phosphorus diatomic anion p2-  
369 P2+ phosphorus diatomic cation p2+  
370 AsN Arsenic mononitride asn  
371 AsP Arsenic monophosphide asp  
372 SbN Antimony nitride sbn  
373 As2 Arsenic diatomic as2  
374 HNB hydrogen nitrogen boron hnb  
375 HNC hydrogen isocyanide hnc  
376 HCN- Hydrogen cyanide anion hcn-  
377 HCN+ hydrogen cyanide cation hcn+  
378 HNC+ hydrogen isocyanide cation hnc+  
379 HCP+ Phosphaethyne cation hcp+  
380 NNH Dinitrogen monohydride nnh  
381 NNH+ Dinitrogen monohydride cation nnh+  
382 HPO+ Hydrogen phosphorus oxide cation hpo+  
383 LiNH2 lithium amide linh2  
384 HBNH Boranimine hbnh  
385 CNH2 Aminomethylidyne radical cnh2  
386 CNH2+ N-protonated hydrogen isocyanide cnh2+  
387 H2CN Dihydrogen cyanide radical h2cn  
388 H2CN+ hydrocyanonium cation h2cn+  
389 HCNH methyleneazane hcnh  
390 HCNH+ N-protonated HCN hcnh+  
391 H2NN Isodiazene h2nn  
392 N2H2 (E)-diazene n2h2  
393 N2H2 (Z)-Diazene n2h2z  
394 N2H2+ trans-diazene cation n2h2+  
395 CH2NH+ Methanimine cation ch2nh+  
396 CHNH2 aminomethylene chnh2  
397 CHNH2+ Aminocarbene cation chnh2+  
398 BH2NH2 Boranamine bh2nh2  
399 CH2NH2+ methyleneamine cation ch2nh2+  
400 N2H4+ hydrazine cation n2h4+  
401 CH3NH2+ methyl amine cation ch3nh2+  
402 SiH3NH2 Silane, amino sih3nh2  
403 N2H5+ protonated hydrazine n2h5+  
404 BH3PH3 borane phosphine bh3ph3  
405 BH3NH3 borane ammonia bh3nh3  
406 CH3NH3 methyl ammonium radical ch3nh3  
407 CH3NH3+ protonated methylamine ch3nh3+  
408 CH3PH3+ methyl phosphine, protonated ch3ph3+  
409 NH3NH3 Ammonia Dimer nh3nh3  
410 N2H7+ ammonia ammonium dimer n2h7+  
411 LiO lithium oxide lio  
412 LiO- lithium oxide anion lio-  
413 LiO+ lithium oxide cation lio+  
414 LiS Lithium monosulfide lis  
415 LiS+ Lithium sulfide cation lis+  
416 NaO sodium monoxide nao  
417 NaO- sodium oxide anion nao-  
418 NaO+ sodium oxide cation nao+  
419 KO Potassium monoxide ko  
420 KO+ Potassium monoxide cation ko+  
421 NaS Sodium sulfide nas  
422 CuO Copper Monoxide cuo  
423 LiSe Lithium monoselenide lise  
424 BeO beryllium oxide beo  
425 BeO- Beryllium monoxide anion beo-  
426 BeO+ Beryllium monoxide cation beo+  
427 BeS beryllium sulfide bes  
428 MgO magnesium oxide mgo  
429 MgO- magnesium oxide anion mgo-  
430 MgO+ magnesium oxide cation mgo+  
431 CaO Calcium monoxide cao  
432 MgS magnesium sulfide mgs  
433 MgS- magnesium sulfide anion mgs-  
434 MgS+ magnesium sulfide cation mgs+  
435 CaS Calcium sulfide cas  
436 ZnO zinc monoxide zno  
437 ZnS Zinc sulfide zns  
438 BeS- Beryllium monosulfide anion bes-  
439 BeS+ Beryllium monosulfide cation bes+  
440 BO- boron monoxide anion bo-  
441 AlO- Aluminum monoxide anion alo-  
442 AlO+ aluminum monoxide cation alo+  
443 BS- boron monosulfide anion bs-  
444 BS+ boron monosulfide cation bs+  
445 AlS- aluminum monosulfide anion als-  
446 AlS+ aluminum monosulfide cation als+  
447 ScO Scandium monoxide sco  
448 GaO Gallium monoxide gao  
449 GaS Gallium monosulfide gas  
450 BO+ boron monoxide cation bo+  
451 CO- carbon monoxide anion co-  
452 CO+ carbon monoxide cation co+  
453 CS- carbon monosulfide anion cs-  
454 CS+ carbon monosulfide cation cs+  
455 SiO- silicon monoxide anion sio-  
456 SiO+ silicon monoxide cation sio+  
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 SiSe+ Silicon Monoselenide cation sise+  
468 GeSe Germanium monoselenide gese  
469 NO- nitric oxide anion no-  
470 NO+ nitric oxide cation no+  
471 NS- nitrogen sulfide anion ns-  
472 NS+ nitrogen sulfide cation ns+  
473 PO- phosphorus monoxide anion po-  
474 PO+ phosphorus monoxide cation po+  
475 PS- phosphorus monosulfide anion ps-  
476 PS+ phosphorus monosulfide cation ps+  
477 VO Vanadium monoxide vo  
478 AsO Arsenic monoxide aso  
479 NSe Nitrogen monoselenide nse  
480 AsS Arsenic monosulfide ass  
481 PSe Phosphorus monoselenide pse  
482 AsSe Arsenic monoselenide asse  
483 O2- oxygen diatomic anion o2-  
484 O2-- dioxygen dianion o2--  
485 O2+ diatomic oxygen cation o2+  
486 SO- sulfur monoxide anion so-  
487 SO+ sulfur monoxide cation so+  
488 S2- sulfur diatomic anion s2-  
489 S2+ sulfur diatomic cation s2+  
490 SeO Selenium monoxide seo  
491 SeO- selenium monoxide anion seo-  
492 SeO+ selenium monoxide cation seo+  
493 SeS Selenium monosulfide ses  
494 SeS- selenium monosulfide anion ses-  
495 SeS+ selenium monosulfide cation ses+  
496 TeO Tellurium monoxide teo  
497 Se2 Selenium diatomic se2  
498 Se2- selenium diatomic anion se2-  
499 Se2+ selenium diatomic cation se2+  
500 Te2 Tellurium diatomic te2  
501 LiOH lithium hydroxide lioh  
502 NaOH sodium hydroxide naoh  
503 KOH Potassium hydroxide koh  
504 BeOH beryllium monohydroxide beoh  
505 MgOH magnesium hydroxide mgoh  
506 CaOH Calcium monohydroxide caoh  
507 HBS hydrogen boron sulfide hbs  
508 COH Hydroxymethylidyne coh  
509 COH+ Carbon Monoxide, protonated coh+  
510 HCO- formyl anion hco-  
511 HCO+ Formyl cation hco+  
512 HCS Thioformyl radical hcs  
513 HCS- Thioformyl anion hcs-  
514 HCS+ Thioformyl cation hcs+  
515 HNO- Nitrosyl hydride anion hno-  
516 HNO+ Nitrosyl hydride cation hno+  
517 NOH Hydroxyimidogen noh  
518 NOH+ O-protonated nitric oxide noh+  
519 HNS Sulfur imide hns  
520 HNS- Sulfur imide anion hns-  
521 HO2- Hydroperoxy anion ho2-  
522 HO2+ Hydroperoxy cation ho2+  
523 HSO+ Sulfur Monoxide, S-protonated HSO+  
524 SOH Sulfur Hydroxide soh  
525 SOH+ Sulfur Monoxide, protonated soh+  
526 HS2 Thiosulfeno radical hs2  
527 H2CO- formaldehyde anion h2co-  
528 H2CO+ formaldehyde cation h2co+  
529 HOCH hydroxycarbene hoch  
530 H2CS- thioformaldehyde anion h2cs-  
531 H2CS+ thioformaldehyde cation h2cs+  
532 H2CSe Selenoformaldehyde h2cse  
533 H2NO nitroxide h2no  
534 H2O2+ Hydrogen peroxide cation h2o2+  
535 H2OO water oxide h2oo  
536 HOSH hydrogen thioperoxide hosh  
537 H2S2+ hydrogen disulfide cation h2s2+  
538 H2Se2 hydrogen diselenide h2se2  
539 CH2OH+ hydroxymethyl cation ch2oh+  
540 CH3O- methoxy anion ch3o-  
541 CH3O+ Methoxy cation ch3o+  
542 H2CSH+ Thioformaldehyde, protonated h2csh+  
543 NH2OH+ Hydroxylamine cation nh2oh+  
544 NH3O Ammonia Oxide nh3o  
545 H2POH Phosphinous acid h2poh  
546 H3PO Phosphine oxide h3po  
547 NH2SH Thiohydroxylamine nh2sh  
548 NH3S sulfidoazane nh3s  
549 H3O2+ hydrogen peroxide, protonated h3o2+  
550 CH3OH- Methyl alcohol anion ch3oh-  
551 CH3OH+ Methyl alcohol cation ch3oh+  
552 CH3SH+ Methanethiol cation ch3sh+  
553 SiH3OH silanol sih3oh  
554 CH3SeH Methane selenol ch3seh  
555 NH2OH2+ protonated hydroxylamine nh2oh2+  
556 NH3OH+ N-protonated hydroxylamine nh3oh+  
557 H2OH2O water dimer h2oh2o  
558 CH3OH2+ Methanol, protonated ch3oh2+  
559 CH3SH2+ protonated methylsulfide ch3sh2+  
560 H2ONH3 Water Ammonia Dimer h2onh3  
561 H5O2+ Dihydroxonium ion h5o2+  
562 LiF lithium fluoride lif  
563 LiCl lithium chloride licl  
564 LiCl- lithium chloride anion licl-  
565 LiCl+ lithium chloride cation licl+  
566 NaF sodium fluoride naf  
567 NaF- sodium fluoride anion naf-  
568 NaF+ sodium fluoride cation naf+  
569 KF Potassium Fluoride kf  
570 NaCl Sodium Chloride nacl  
571 NaCl- sodium chloride anion nacl-  
572 NaCl+ sodium chloride cation nacl+  
573 KCl Potassium Chloride kcl  
574 CuF Copper monofluoride cuf  
575 LiBr Lithium Bromide libr  
576 LiBr- lithium bromide anion libr-  
577 LiBr+ lithium bromide cation libr+  
578 CuCl Copper monochloride cucl  
579 NaBr Sodium Bromide nabr  
580 NaBr- sodium bromide anion nabr-  
581 NaBr+ sodium bromide cation nabr+  
582 KBr Potassium Bromide kbr  
583 LiI Lithium Iodide lii  
584 NaI Sodium Iodide nai  
585 KI Potassium Iodide ki  
586 LiF- lithium fluoride anion lif-  
587 LiF+ lithium fluoride cation lif+  
588 BeF Beryllium monofluoride bef  
589 BeF- Beryllium monofluoride anion bef-  
590 BeF+ Beryllium monofluoride cation bef+  
591 BeCl beryllium monochloride becl  
592 MgF Magnesium monofluoride mgf  
593 MgF- magnesium fluoride anion mgf-  
594 MgF+ magnesium fluoride cation mgf+  
595 CaF Calcium monofluoride caf  
596 MgCl magnesium monochloride mgcl  
597 MgCl- magnesium monochloride anion mgcl-  
598 MgCl+ magnesium monochloride cation mgcl+  
599 CaCl calcium monochloride cacl  
600 TiCl Titanium Monochloride ticl  
601 ZnF Zinc monofluoride znf  
602 ZnF- Zinc monofluoride anion znf-  
603 ZnF+ Zinc monofluoride cation znf+  
604 ZnCl Zinc monochloride zncl  
605 CaBr Calcium monobromide cabr  
606 BeCl- beryllium monochloride anion becl-  
607 BeCl+ beryllium monochloride cation becl+  
608 BF- Boron monofluoride anion bf-  
609 BF+ Boron monofluoride cation bf+  
610 AlF- Aluminum monofluoride anion alf-  
611 AlF+ Aluminum monofluoride cation alf+  
612 BCl- boron monochloride anion bcl-  
613 BCl+ boron monochloride cation bcl+  
614 AlCl Aluminum monochloride alcl  
615 AlCl- aluminum monochloride anion alcl-  
616 AlCl+ aluminum monochloride cation alcl+  
617 ScF Scandium monofluoride scf  
618 BBr Boron monobromide bbr  
619 GaF Gallium monofluoride gaf  
620 GaF+ Gallium monofluoride cation gaf+  
621 AlBr Aluminum monobromide albr  
622 GaCl Gallium monochloride gacl  
623 GaCl+ Gallium monochloride cation gacl+  
624 AlI Aluminum monoiodide ali  
625 GaBr Gallium monobromide gabr  
626 CF- carbon monofluoride anion cf-  
627 CF+ carbon monofluoride cation cf+  
628 CCl- carbon monochloride anion ccl-  
629 CCl+ carbon monochloride cation ccl+  
630 SiF- silicon monofluoride anion sif-  
631 SiF+ silicon monofluoride cation sif+  
632 SiCl- silicon monochloride anion sicl-  
633 SiCl+ silicon monochloride cation sicl+  
634 CBr Carbon monobromide cbr  
635 GeF Germanium monofluoride gef  
636 GeF+ Germanium monofluoride cation gef+  
637 GeCl Germanium monochloride gecl  
638 GeCl+ Germanium monochloride cation gecl+  
639 SiBr Silicon monobromide sibr  
640 SiBr+ Silicon monobromide cation sibr+  
641 NF- nitrogen monofluorine anion nf-  
642 NF+ nitrogen monofluoirde cation nf+  
643 NCl nitrogen monochloride ncl  
644 NCl- nitrogen monochloride anion ncl-  
645 NCl+ nitrogen monochloride cation ncl+  
646 PF- phosphorus monofluoride anion pf-  
647 PF+ phosphorus monofluoride cation pf+  
648 PCl- phosphorus monochloride anion pcl-  
649 PCl+ phosphorus monochloride cation pcl+  
650 AsF Arsenic monofluoride asf  
651 NBr nitrogen monobromide nbr  
652 AsCl Arsenic monochloride ascl  
653 PBr Phosphorus monobromide pbr  
654 SbF Antimony monofluoride sbf  
655 SbCl Antimony monochloride sbcl  
656 FO- flourine oxide anion fo-  
657 FO+ fluorine monoxide cation fo+  
658 ClO- chlorine monoxide anion clo-  
659 ClO+ chlorine monoxide cation clo+  
660 SF- sulfur monofluoride anion sf-  
661 SF+ sulfur monofluoride cation sf+  
662 SCl- sulfur monochloride anion scl-  
663 SCl+ sulfur monochloride cation scl+  
664 BrO Bromine monoxide bro  
665 BrO- Bromine monoxide anion bro-  
666 BrO+ Bromine monoxide cation bro+  
667 SeF Selenium monofluoride sef  
668 SBr Sulfur monobromide radical sbr  
669 SBr+ Sulfur monobromide cation sbr+  
670 SeCl Selenium monochloride secl  
671 IO Iodine monoxide io  
672 SeBr Selenium monobromide sebr  
673 BrCl Bromine monochloride brcl  
674 F2- flourine diatomic anion f2-  
675 F2+ flourine diatomic cation f2+  
676 ClF- clorine monofluoride anion clf-  
677 ClF+ clorine monofluoride cation clf+  
678 Cl2- chlorine diatomic anion cl2-  
679 Cl2+ chlorine diatomic cation cl2+  
680 BrF Bromine monofluoride brf  
681 BrF- bromine fluoride anion brf-  
682 BrF+ bromine fluoride cation brf+  
683 BrCl- bromine chloride anion brcl-  
684 BrCl+ bromine chloride cation brcl+  
685 IF Iodine monofluoride if  
686 Br2 Bromine diatomic br2  
687 Br2- bromine diatomic anion br2-  
688 Br2+ bromine diatomic cation br2+  
689 ICl Iodine monochloride icl  
690 IBr Iodine monobromide ibr  
691 I2 Iodine diatomic i2  
692 I2+ Iodine diatomic cation i2+  
693 HCCl Chloromethylene hccl  
694 HSiF fluorosilylene hsif  
695 HSiCl Chlorosilylene hsicl  
696 HSiBr monobromosilylene hsibr  
697 CHBr bromomethylene chbr  
698 HOCl+ hypochlorous acid cation hocl+  
699 HOBr Hypobromous acid hobr  
700 HOBr+ Hypobromous acid cation hobr+  
701 HOI Hypoiodous acid hoi  
702 F2H+ Fluorine, protonated f2h+  
703 FHF Hydrogen difluoride fhf  
704 FHF- Hydrogen difluoride anion fhf-  
705 ClFH+ Chlorine fluoride, F-protonated clfh+  
706 FClH+ Chlorine fluoride, Cl-protonated fclh+  
707 Cl2H+ Chlorine, protonated cl2h+  
708 CH2Br bromomethyl radical ch2br  
709 CH2F fluoromethyl radical ch2f  
710 CH2F+ fluoromethyl cation ch2f+  
711 CH2Cl+ chloromethyl cation ch2cl+  
712 CH2Cl chloromethyl radical ch2cl  
713 NH2F monofluoroamine nh2f  
714 NH2Cl chloramine nh2cl  
715 H2F2 Hydrogen fluoride dimer h2f2  
716 CH3F+ methyl fluoride cation ch3f+  
717 CD3F methylfluoride-d3 cd3f  
718 CD3Cl methyl chloride d3 cd3cl  
719 CH3Cl+ Methyl chloride cation ch3cl+  
720 CH3Br methyl bromide ch3br  
721 GeH3F monofluorogermane geh3f  
722 GeH3Cl monochlorogermane geh3cl  
723 SiH3Br bromosilane sih3br  
724 CH3I methyl iodide ch3i  
725 SiH3I Silyl Iodide sih3i  
726 NH3Cl+ protonated monochloroammonia nh3cl+  
727 CH3ClH+ methyl chloride, protonated ch3clh+  
728 NH4Cl Ammonium chloride nh4cl  
729 LiNe+ Lithium Neon cation line+  
730 Ne2 Neon diatomic ne2  
731 Ne2+ Neon diatomic cation ne2+  
732 Ar2 Argon diatomic ar2  
733 Ar2+ Argon diatomic cation ar2+  
734 Li3 Lithium trimer li3  
735 Li3+ Lithium trimer cation li3+  
736 C3+ carbon trimer cation c3+  
737 SiC2 Silicon dicarbide sic2  
738 C3H3 cyclopropenyl radical cpr  
739 C3H3- Propargyl anion c3h3-  
740 C3H3+ cyclopropenyl cation cpr+  
741 C3H3+ Propargyl cation c3h3+  
742 C3H4 cyclopropene cprop  
743 C3H5 Allyl radical allyl  
744 C3H5+ Allyl cation allyl+  
745 CH3CHCH 1-propenyl radical ch3chch  
746 Zn(CH3)2 dimethyl zinc dmz  
747 C3H7+ cyclopropane, protonated c3h7+  
748 CH3CHCH3 Isopropyl radical isopropyl  
749 CH3CHCH3+ Isopropyl cation prop2yl+  
750 SiH2(CH3)2 dimethylsilane dms  
751 Si3H8 trisilane si3h8  
752 LiCN lithium cyanide licn  
753 NaCN Sodium Cyanide nacn  
754 KCN Potassium cyanide kcn  
755 CuCN Copper cyanide cucn  
756 ZnCN Zinc monocyanide zncn  
757 ZnNC Zinc isocyanide znnc  
758 AlCN Aluminum monocyanide alcn  
759 AlNC Aluminum isocyanide alnc  
760 CN2 3H-Diazirin-3-ylidene cn2  
761 CNN Diazocarbene cnn  
762 NCN Cyanoimidogen ncn  
763 N3 azide radical n3  
764 N3- azide anion n3-  
765 N3+ azide cation n3+  
766 HCCN cyanomethylene hccn  
767 HCNN diazomethyl radical hcnn  
768 HN3 hydrogen azide hn3  
769 HN3+ Hydrazoic acid cation hn3+  
770 HNCNH diiminomethane hncnh  
771 CH2N2 diazirine ch2n2  
772 CH2NN diazomethane ch2nn  
773 NH2CN cyanamide cyanamide  
774 HNNNH+ 1,2-Triazadienium n2h3+  
775 NH2NN+ hydrazoic acid, protonated nh2nn+  
776 CH3CN- acetonitrile anion ch3cn-  
777 CH3CN+ Acetonitrile cation ch3cn+  
778 CH3NC methyl isocyanide ch3nc  
779 CHNCH2 2H-Azirine c157164  
780 CHNHCH 1H-Azirine chnhch  
781 H2CCNH Ethenimine ch2cnh  
782 H2CNCH methyleneaminomethylene ch2nch  
783 HCCNH2 Ethynamine hccnh2  
784 HCNCH2+ 2H-Azirine cation hcnch2+  
785 HNCNH2+ diiminomethane, protonated hncnh2+  
786 NCNH3+ Cyanamide, protonated ncnh3+  
787 NH2CNH+ cyanamide, cn protonated nh2cnh+  
788 NH3CN+ cyanamide, amine protonated nh3cn+  
789 CH2CHNH vinylazine ch2chnh  
790 CH3CHN methylmethaniminyl radical ch3chn  
791 NHCHNH2 aminomethanimine cn2h4  
792 CH2CHNH2 aminoethene aminoethene  
793 CH2NCH3 N-methylmethanimine nmm  
794 CH3CHNH ethanimine ethanimine  
795 NH2BHNH2 diaminoborane nh2bhnh2  
796 C2H5NH+ Protonated Aziridine c2h5nh+  
797 C2H6N+ aziridine, protonated c2h6n+  
798 NH2CH2NH2 diaminomethane nh2ch2nh2  
799 CH3PHCH3 dimethylphosphine ch3phch3  
800 NH2CH2NH3+ diaminoethane, protonated pdam  
801 (CH3)2NH2+ dimethylammonium cation dmam  
802 CH3CH2NH3+ ethylamine, protonated pea  
803 Li2O dilithium oxide li2o  
804 Li2O+ dilithium oxide cation li2o+  
805 Li2S dilithium sulfide li2s  
806 Na2O disodium monoxide na2o  
807 Na2S Sodium sulfide na2s  
808 LiO2 Lithium dioxide lio2  
809 NaO2 Sodium superoxide nao2  
810 CCO Dicarbon monoxide cco  
811 CNO- fulminate cno-  
812 NCO isocyanato radical nco  
813 NCO- cyanate nco-  
814 SCN thiocyanato radical scn  
815 SCN- thiocyanide anion scn-  
816 BO2- Boron dioxide anion bo2-  
817 BO2+ Boron dioxide cation bo2+  
818 N2O- Nitrous oxide anion n2o-  
819 N2O+ Nitrous oxide cation n2o+  
820 NNS Nitrogen sulfide nns  
821 PPO Phosphorus oxide phosphide ppo  
822 CO2- Carbon dioxide anion co2-  
823 CO2+ Carbon dioxide cation co2+  
824 OCS+ Carbonyl sulfide cation cos+  
825 CS2- Carbon disulfide anion cs2-  
826 CS2+ Carbon disulfide cation cs2+  
827 TiO2 Titanium dioxide tio2  
828 SiS2 Silicon disulfide sis2  
829 GeO2 Germanium dioxide geo2  
830 OCSe Carbonyl selenide ocse  
831 SCSe Carbon sulfide selenide scse  
832 GeS2 Germanium disulfide ges2  
833 CSe2 Carbon diselenide cse2  
834 SCTe Carbon sulfide Telluride scte  
835 NO2- Nitrogen dioxide anion no2-  
836 NO2+ Nitrogen dioxide cation no2+  
837 NSO sulfinyl amidogen NSO  
838 PO2- Phosphorus dioxide anion po2-  
839 PO2+ Phosphorus dioxide cation po2+  
840 SNO Nitrogen oxide sulfide sno  
841 AsO2 Aresenic dioxide aso2  
842 O3- Ozone anion o3-  
843 O3+ Ozone cation o3+  
844 SO2- Sulfur dioxide anion so2-  
845 SO2+ Sulfur dioxide cation so2+  
846 S3 Sulfur trimer s3  
847 S3- Sulfur trimer anion s3-  
848 S3+ Sulfur trimer cation s3+  
849 SeO2 Selenium dioxide seo2  
850 SeO2+ Selenium dioxide cation seo2+  
851 TeO2 Tellurium Dioxide teo2  
852 HCCO ketenyl radical ketenyl  
853 CS2H+ Carbon disulfide, protonated cs2h+  
854 HCNO fulminic acid hcno  
855 HOCN cyanic acid hocn  
856 HNCS Isothiocyanic acid hncs  
857 HSCN thiocyanic acid hscn  
858 HCO2- formate anion hco2-  
859 HNNO nitrosoazane hnno  
860 HNNO+ Nitrous oxide, N-protonated hnno+  
861 NNOH+ Nitrous Oxide, O-protonated nnoh+  
862 HCOO formate neutral radical hcoo  
863 HOCO Hydrocarboxyl radical hoco  
864 HOCO+ Hydrocarboxyl cation hoco+  
865 HNO2+ nitrous acid cation hno2+  
866 O3H+ protonated ozone o3h+  
867 SO2H+ protonated sulfur dioxide so2h+  
868 C2H2O Oxirene oxirene  
869 CH2CO+ Ketene cation ch2co+  
870 HCCOH ethynol hccoh  
871 CH2CS Thioketene ch2cs  
872 Be(OH)2 Beryllium hydroxide beo2h2  
873 Mg(OH)2 Magnesium dihydroxide h2mgo2  
874 NH2NO Nitrosamide nh2no  
875 CH2O2 Dioxirane diox  
876 H2COO Dioxymethyl radical h2coo  
877 H2COO+ dioxymethyl cation h2coo+  
878 H2O3 Hydrogen trioxide h2o3  
879 HSSSH trisulfane hsssh  
880 NaOCH3 Sodium methoxide naoch3  
881 CH2BOH hydroxy(methylene)borane ch2boh  
882 BH3CO Borane carbonyl bh3co  
883 CH3BO Borane, methyloxo- ch3bo  
884 CH2CHO Vinyloxy radical ch2cho  
885 CH2COH+ ketene, protonated ch2coh+  
886 CH3CO Acetyl radical ch3co  
887 CH3CO- Acetyl anion ch3co-  
888 CH3CO+ acetyl cation ch3co+  
889 CH2NOH formaldoxime ch2noh  
890 CH3NO nitrosomethane ch3no  
891 CHONH2 formamide formamide  
892 CNOH3 1,2-oxaziridine cnoh3  
893 HOCHNH hydroxymethylimine hochnh  
894 CHSNH2 thioformamide chsnh2  
895 NHCHSH Methanimidothioic acid nhchsh  
896 CH2OOH CH2OOH radical ch2ooh  
897 CH3OO methylperoxy radical ch3oo  
898 CH3OO- methylperoxy anion ch3oo-  
899 CH3OO+ methylperoxy cation ch3oo+  
900 C2H4O+ ethylene oxide cation c2h4o+  
901 CH2CHOH ethenol ch2choh  
902 CH3CHO+ acetaldehyde cation ch3cho+  
903 H2COCH2+ Methyl, (methyleneoxoniumyl)- h2coch2+  
904 CH2CHSH Ethenethiol ch2chsh  
905 H2CONH2+ protonated formamide h2conh2+  
906 NH2CHOH+ Formamide, O-protonated nh2choh+  
907 NH3CHO+ Formamide, N-Protonated nh3cho+  
908 CH2(OH)2 methanediol ch2o2h2  
909 CH3OOH Methyl peroxide ch3ooh  
910 CH3SSH Hydrogen methyl disulfide ch3ssh  
911 HSCH2SH Methanedithiol ch4s2  
912 H2OH2CO water formaldehyde dimer h2oh2co  
913 C2H4OH+ ethylene oxide, protonated c2h4oh+  
914 CH2CH2OH 2-hydroxy ethyl radical ch2ch2oh  
915 CH3CH2O Ethoxy radical ethoxy  
916 CH3CHOH 1-hydroxy-ethyl radical ch3choh  
917 CH3CHOH+ acetaldehyde, protonated ch3choh+  
918 CH3OCH2 methoxymethyl radical ch3och2  
919 NH2CH2OH aminomethanol nh2ch2oh  
920 CH3SCH3+ dimethyl sulfide cation mesme+  
921 CH3SeCH3 dimethylselenide dmse  
922 CH3OHH2O methanol water dimer ch3ohh2o  
923 H2OCH3OH water methanol dimer h2och3oh  
924 CuF2 Copper difluoride cuf2  
925 ZnF2 Zinc difluoride znf2  
926 CNF iso cyanogen fluoride cnf  
927 FCN Cyanogen fluoride fcn  
928 BrCN Cyanogen bromide brcn  
929 ICN Cyanogen iodide icn  
930 FBO Boron monofluoride monoxide fbo  
931 BeF2 Beryllium fluoride bef2  
932 MgF2 Magnesium fluoride mgf2  
933 BeCl2 Beryllium chloride becl2  
934 MgCl2 Magnesium dichloride mgcl2  
935 CaCl2 Calcium Chloride cacl2  
936 ZnCl2 Zinc dichloride zncl2  
937 BeBr2 Beryllium bromide bebr2  
938 CaBr2 Calcium dibromide cabr2  
939 CaF2 Calcium difluoride caf2  
940 FCO Carbonyl fluoride fco  
941 FCO+ Carbonyl fluoride cation fco+  
942 ClCO carbonyl monochloride clco  
943 BF2 Boron difluoride radical bf2  
944 FNS Thionitrosyl fluoride fns  
945 FSN Thiazyl fluoride fsn  
946 OPCl Phosphorus oxychloride opcl  
947 BrNO Nitrosyl bromide brno  
948 INO Nitrosyl iodide ino  
949 CF2- Difluoromethylene anion cf2-  
950 CF2+ Difluoromethylene cation cf2+  
951 CFCl chlorofluoromethylene cfcl  
952 SiF2 Silicon difluoride sif2  
953 SiF2+ Silicon difluoride cation sif2+  
954 CCl2- dichloromethylene anion ccl2-  
955 CCl2+ dichloromethylene cation ccl2+  
956 GeF2 Germanium difluoride gef2  
957 GeCl2 Germanium dichloride gecl2  
958 CBr2 dibromomethylene cbr2  
959 FOO+ Fluorine dioxide cation foo+  
960 ClOO+ chloroperoxy cation cloo+  
961 OClO- Chlorine dioxide anion oclo-  
962 OClO+ Chlorine dioxide cation oclo+  
963 ClSO Sulfur chloride oxide clso  
964 BrOO Bromine dioxide broo  
965 OBrO Bromine dioxide radical obro  
966 NF2+ Difluoroamino cation nf2+  
967 PF2 Phosphorus difluoride pf2  
968 PF2+ Phosphorus difluoride cation pf2+  
969 FClO chlorosyl fluoride fclo  
970 ClOF Chlorine hypofluorite clof  
971 SF2 sulfur difluoride sf2  
972 SF2- sulfur difluoride anion sf2-  
973 SF2+ sulfur difluoride cation sf2+  
974 SCl2 Sulfur dichloride scl2  
975 SeF2 Selenium difluoride sef2  
976 BrOCl Bromine hypochlorite brocl  
977 SeCl2 Selenium Dichloride secl2  
978 SBr2 Sulfur dibromide sbr2  
979 SeBr2 Selenium dibromide sebr2  
980 BrOBr Bromine oxide brobr  
981 F3- trifluoride anion f3-  
982 Cl3- trichloride anion cl3-  
983 Br3- tribromide anion br3-  
984 I3- triiodide i3-  
985 SFCl Sulfur chloride fluoride sfcl  
986 HCCF Fluoroacetylene hccf  
987 HCCF+ fluoroacetylene cation hccf+  
988 HCCCl Chloroacetylene hcccl  
989 HCCBr bromoacetylene hccbr  
990 HFCO formyl fluoride hfco  
991 HFCO+ formyl fluoride cation hfco+  
992 COHCl Formyl chloride cohcl  
993 COHBr Formyl bromide cohbr  
994 CHCl2 dichloromethyl radical chcl2  
995 CHF2 difluoromethyl radical chf2  
996 CHF2+ difluoromethyl cation chf2+  
997 CHFCl Chlorofluoromethyl radical chfcl  
998 CHFCl+ Chlorofluoromethyl cation chfcl+  
999 CHCl2+ dichloromethyl cation chcl2+  
1000 CHBr2 dibromomethyl radical chbr2  
1001 HOClO Chlorous acid hoclo  
1002 NHF2 difluoramine nhf2  
1003 NHCl2 dichloroamine nhcl2  
1004 CH2FCl fluorochloromethane ch2fcl  
1005 SiH2F2 difluorosilane sih2f2  
1006 CH2BrF Methane, bromofluoro- ch2fbr  
1007 CH2BrCl Methane, bromochloro- ch2clbr  
1008 CH2FI fluoroiodomethane ch2fi  
1009 CH2Br2 dibromomethane ch2br2  
1010 CH2ClI chloroiodomethane ch2cli  
1011 CH2BrI bromoiodomethane ch2bri  
1012 CH2I2 Diiodomethane ch2i2  
1013 SiH2Cl2 dichlorosilane sih2cl2  
1014 CH3MgBr Methyl Magnesium Bromide ch3mgbr  
1015 CH2CHF+ fluoroethene cation ch2chf+  
1016 C2H3Br vinyl bromide c2h3br  
1017 C2H3I Vinyl iodide c2h3i  
1018 CH2FOH fluoromethanol ch2foh  
1019 CH3OCl methyl hypochlorite ch3ocl  
1020 CH2CH2Cl 2-chloroethyl radical ch2ch2cl  
1021 CHClCH3 1-chloroethyl radical chclch3  
1022 C2H5F fluoroethane c2h5f  
1023 CH3SiFH2 fluoromethylsilane ch3sifh2  
1024 C2H5Br Ethyl bromide etbr  
1025 C2H5I Ethyl iodide c2h5i  
1026 KrF2 Krypton difluoride krf2  
1027 XeF2 Xenon difluoride xef2  
1028 B4H10 Tetraborane(10) b4h10  
1029 C4 Carbon tetramer c4  
1030 C4+ Carbon tetramer cation c4+  
1031 C4H2 Diacetylene c4h2  
1032 C4H2+ diacetlyene cation c4h2+  
1033 C2H3CCH 1-Buten-3-yne c2h3cch  
1034 C4H4 cyclobutadiene cbd  
1035 C4H4 Tetrahedrane c4h4  
1036 H2CCCCH2 Butatriene h2cccch2  
1037 C4H6 1-Methylcyclopropene c3100047  
1038 C4H6 Cyclobutene c822355  
1039 C4H6 Methylenecyclopropane c6142730  
1040 CH2CCHCH3 1,2-Butadiene butad12  
1041 CH2CHCHCH2 1,3-Butadiene c106990  
1042 CH3CCCH3 2-Butyne c503173  
1043 CHCCH2CH3 1-Butyne c107006  
1044 CH3CHCHCH2 methylallyl radical c4h7  
1045 C4H8 methylcyclopropane mcp  
1046 CH2C(CH3)CH3 1-Propene, 2-methyl- isobute  
1047 CH2CHCH2CH3 1-Butene bute1  
1048 CH3CHCHCH3 2-Butene, (E)- bute2e  
1049 CH3CHCHCH3 2-Butene, (Z)- bute2z  
1050 B(CH3)3 trimethylborane bme3  
1051 Al(CH3)3 trimethyl aluminum tma  
1052 C(CH3)3 Tert-butyl radical tbutyl  
1053 CH2CH(CH3)2 Isobutyl radical isobutyl  
1054 CH3CHCH2CH3 2-Butyl radical butyl2  
1055 CH3CH(CH3)CH3 Isobutane isobutane  
1056 CH3CH2CH2CH3 Butane butane  
1057 SiH(CH3)3 trimethylsilane trimsi  
1058 Li3N trilithium nitride li3n  
1059 C2N2 Cyanogen c2n2  
1060 C2N2+ Cyanogen cation c2n2+  
1061 P4 Phosphorus tetramer p4  
1062 As4 Arsenic tetramer as4  
1063 HCCCN Cyanoacetylene hcccn  
1064 HCCCN+ Cyanoacetylene cation hcccn+  
1065 H2CNCN cyanamide, methylene ch2ncn  
1066 HNCCNH Ethenediimine hnccnh  
1067 C3H3N acrylonitrile ch2chcn  
1068 C3H3N+ acrylonitrile cation ch2chcn+  
1069 CH3N3 methyl azide ch3n3  
1070 NH2CCNH2 Diaminoacetylene daa  
1071 NH2CH2CN Aminoacetonitrile aan  
1072 CH3NHN2+ methyl azide, protonated ch3nhn2+  
1073 C2H5CN ethyl cyanide c2h5cn  
1074 CH5N3 Guanidine guanidine  
1075 C4H6 Bicyclo[1.1.0]butane c157335  
1076 CH3NNCH3 (Z)-1,2-Dimethyldiazene dmdiazz  
1077 H2NCHCHNH2 diaminoethylene dae  
1078 CH6N3+ guanidinium ch6n3+  
1079 C3H7N Cyclopropylamine cpram  
1080 CH7N3 triaminomethane tam  
1081 C3H7N Azetidine azet  
1082 C4H8 cyclobutane cbutane  
1083 C2H8N2 Ethylenediamine ethdiam  
1084 CH3NHNHCH3 dimethyl hydrazine dmh  
1085 CH3CH(NH2)CH3 2-Propanamine pram2  
1086 N(CH3)3 Trimethylamine trimeam  
1087 NH2CH2CH2CH3 1-Propanamine pram1  
1088 P(CH3)3 trimethylphosphine tmp  
1089 N(SiH3)3 trisilylamine tsa  
1090 As(CH3)3 trimethyl arsine tmas  
1091 (CH3)3NH+ protonated trimethyl amine ptma  
1092 C3H7NH3+ n-propylamine, protonated c3h7nh2  
1093 Li2O2 dilithium dioxide li2o2  
1094 Na2O2 disodium dioxide na2o2  
1095 K2O2 dipotassium dioxide k2o2  
1096 C3O Tricarbon monoxide c3o  
1097 B2O2 Diboron dioxide b2o2  
1098 ONNO NO dimer onno  
1099 S2N2 Disulfur dinitride s2n2  
1100 CO3 Carbon trioxide co3  
1101 CO3-- carbonate co3--  
1102 CS3-- Carbonotrithioate cs3--  
1103 NO3 Nitrogen trioxide no3  
1104 NO3- nitrate anion no3-  
1105 NO3+ nitrogen trioxide cation no3+  
1106 SO3 Sulfur trioxide so3  
1107 SO3- Sulfur trioxide anion so3-  
1108 SO3-- Sulfate dianion so3--  
1109 SO3+ Sulfur trioxide cation so3+  
1110 SeO3 selenium trioxide seo3  
1111 S4 Sulfur tetramer s4  
1112 TeO3 Tellurium trioxide teo3  
1113 HCO3- bicarbonate anion hco3-  
1114 HNO3 Nitric acid hno3  
1115 HSO3 Hydroxysulfonyl radical hso3  
1116 NH2NO2 nitramide nh2no2  
1117 C2H2CO cyclopropenone c2h2co  
1118 C3H2O Propadienal c3h2o  
1119 HCCCHO 2-propynal hcccho  
1120 C2H2O2 Ethanedial c2h2o2  
1121 C2H2O2+ Ethanedial cation c2h2o2+  
1122 H2CO3 Carbonic acid h2co3  
1123 H2CS3 thiocarbonic acid h2cs3  
1124 H2NO3+ Nitric Acid, Protonated h2no3+  
1125 H2SO3 Sulfurous acid h2so3  
1126 C2H3NO Nitrosoethylene c2h3no  
1127 CH3NCO methylisocyante ch3nco  
1128 HOCH2CN cyanomethanol hoch2cn  
1129 CH3COO- acetate anion ch3coo-  
1130 CH3NO2 Methane, nitro- ch3no2  
1131 CH3ONO Methyl nitrite ch3ono  
1132 NH2COOH Carbamic acid nh2cooh  
1133 H3BO3 Boric acid h3bo3  
1134 H3AlO3 Aluminum hydroxide h3alo3  
1135 H3CO3+ carbonic acid, protonated h3co3+  
1136 C3H4O 2-Propyn-1-ol c107197  
1137 C3H4O allenol c9000071  
1138 C3H4O Cyclopropanone cpone  
1139 C3H4O Methylketene c6004440  
1140 CH2CHCHO Acrolein c3h4o  
1141 NH2CONH2 Urea urea  
1142 NH2CONH2+ Urea cation urea+  
1143 NH2CSNH2 Thiourea thiourea  
1144 C2H4O2 1,3-dioxetane c2h4o2  
1145 CH3COOH Acetic acid ch3cooh  
1146 CH3OCHO methyl formate ch3ocho  
1147 CHOCH2OH hydroxy acetaldehyde haa  
1148 NH2COOH2+ Carbamic acid, O-protonated nh2cooh2+  
1149 NH3COOH+ protonated Carbamic acid nh3cooh+  
1150 H2OHCOOH Water formic acid dimer 1 h2ohcooh_10  
1151 H2OHCOOH Water formic acid dimer 2 h2ohcooh_11  
1152 HCOOHH2O Formic acid water dimer hcoohh2o  
1153 HOCH2OOH hydroxy methyl peroxide hoch2ooh  
1154 CH3COCH2 Acetonyl radical ch3coch2  
1155 CH2C(OH)NH2 1-amino vinyl alchohol ava  
1156 CH3C(OH)=NH Ethaninidic acid eia  
1157 CH3CHNOH Acetaldoxime acetaldoxime  
1158 CH3CONH2 Acetamide acetamide  
1159 HCONHCH3 N-methylformamide nmfa  
1160 CH3CSNH2 Ethanethioamide ch3csnh2  
1161 CH5N2O+ urea, N-protonated ch4n2o+  
1162 H2NCOHNH2+ urea, protonated ureah+  
1163 C2H5OO ethylperoxy radical c2h5oo  
1164 CH3NNCH3 (E)-1,2-Dimethyldiazene dmdiaze  
1165 C3H5OH Cyclopropanol cproh  
1166 C3H6O 2-Propen-1-ol c107186  
1167 C3H6O Acetone enol enol  
1168 C3H6O Oxetane oxetane  
1169 C3H6O Propylene oxide prox  
1170 CH3CH2CHO Propanal propanal  
1171 CH3COCH3 Acetone acetone  
1172 CH3COCH3- acetone anion ch3coch3-  
1173 C3H6S Thietane thietane  
1174 C3H6S Thiirane, methyl- methiirane  
1175 CH3CSCH3 Thioacetone ch3csch3  
1176 C2H6O2 1,2-Ethanediol ethdiol  
1177 CH3OOCH3 dimethylperoxide dmp  
1178 CH3SOCH3 Dimethyl sulfoxide dmso  
1179 CH2SHCH2SH 1,2-Ethanedithiol ethdisl  
1180 CH3SSCH3 Disulfide, dimethyl ch3ssch3  
1181 CH3COHCH3+ acetone, protonated acetoneh+  
1182 HOCH2CH2NH2 monoethanolamine mea  
1183 C3H7OH 1-Propanol proh  
1184 CH3CHOHCH3 Isopropyl alcohol isoproh  
1185 CH3OC2H5 Ethane, methoxy- etome  
1186 C3H7SH 1-Propanethiol prsh  
1187 CH3CHSHCH3 2-Propanethiol isoprsh  
1188 CH3SCH2CH3 Ethane, (methylthio)- etsme  
1189 H2OCH3OCH3 water dimethylether dimer h2och3och3  
1190 Li2F2 Lithium fluoride dimer li2f2  
1191 Na2F2 Sodium Fluoride Dimer na2f2  
1192 Na2Cl2 Disodium dichloride na2cl2  
1193 C2F2 difluoroacetylene c2f2  
1194 C2Cl2 dichloroacetylene c2cl2  
1195 C2Cl2+ dichloroacetylene cation c2cl2+  
1196 FNO2 Nitryl fluoride fno2  
1197 FONO Nitrosyl hypofluorite fono  
1198 ClNO2 Nitryl chloride clno2  
1199 ClONO chlorine nitrite clono  
1200 BrONO Bromine nitrite brono  
1201 N2F2 (Z)-Difluorodiazene n2f2_z  
1202 N2F2 Dinitrogen difluoride, (E)- n2f2_e  
1203 CF2O Carbonic difluoride f2co  
1204 CF2O+ Carbonic difluoride cation f2co+  
1205 COFCl Carbonic chloride fluoride cofcl  
1206 CCl2O Phosgene cl2co  
1207 Cl2CS Thiophosgene cl2cs  
1208 COBr2 Carbonic dibromide cobr2  
1209 BF3 Borane, trifluoro- bf3  
1210 BF3- Borane, trifluoro- anion bf3-  
1211 BF3+ boron trifluoride cation bf3+  
1212 AlF3 Aluminum trifluoride alf3  
1213 BClF2 Chlorodifluoroborane bclf2  
1214 AlF2Cl Aluminum chloride difluoride alclf2  
1215 ScF3 Scandium trifluoride ScF3  
1216 AlFCl2 Aluminum dichloride fluoride alcl2f  
1217 BCl3 Borane, trichloro- bcl3  
1218 BCl3+ Boron Trichloride cation bcl3+  
1219 GaF3 Gallium trifluoride gaf3  
1220 AlCl3 Aluminum trichloride alcl3  
1221 GaCl3 Gallium trichloride gacl3  
1222 BBr3 Boron tribromide bbr3  
1223 AlBr3 Aluminum Bromide albr3  
1224 ClO3 Chlorine trioxide clo3  
1225 ClO3- chlorate anion clo3-  
1226 BrO3- Bromate anion bro3-  
1227 CF3 Trifluoromethyl radical cf3  
1228 CF3- Trifluoromethyl anion cf3-  
1229 CF3+ Trifluoromethyl cation cf3+  
1230 CF2Cl difluorochloromethyl radical cf2cl  
1231 SiF3 Silicon trifluoride radical sif3  
1232 SiF3+ Silicon trifluoride cation sif3+  
1233 CFCl2 dichlorofluoromethyl radical cfcl2  
1234 CCl3 Trichloromethyl radical ccl3  
1235 CCl3- Trichloromethyl anion ccl3-  
1236 CCl3+ Trichloromethyl cation ccl3+  
1237 SiCl3 trichlorosilyl radical sicl3  
1238 SiCl3+ trichlorosilyl cation sicl3+  
1239 CBr3 tribromomethyl radical cbr3  
1240 FOOF Perfluoroperoxide foof  
1241 ClO2F Chloryl fluoride clo2f  
1242 F2SO Thionyl Fluoride f2so  
1243 ClOOCl Dichlorine dioxide cloocl  
1244 FSSF Difluorodisulfane fssf  
1245 S2F2 Thio-thionyl fluoride s2f2  
1246 SOCl2 thionyl chloride socl2  
1247 SSCl2 Thiothionyl chloride sscl2  
1248 SeOCl2 selenium oxychloride seocl2  
1249 NF3 Nitrogen trifluoride nf3  
1250 NF3- Nitrogen trifluoride anion nf3-  
1251 NF3+ Nitrogen trifluoride cation nf3+  
1252 PF3 Phosphorus trifluoride pf3  
1253 NCl3 nitrogen trichloride ncl3  
1254 AsF3 Arsenic trifluoride asf3  
1255 PCl3 Phosphorus trichloride pcl3  
1256 SbF3 Antimony Trifluoride sbf3  
1257 AsCl3 Arsenous trichloride ascl3  
1258 SbCl3 Antimony Trichloride sbcl3  
1259 NBr3 Nitrogen Tribromide nbr3  
1260 PBr3 Phosphorus tribromide pbr3  
1261 AsBr3 Arsenic tribromide asbr3  
1262 NI3 Nitrogen triiodide ni3  
1263 PI3 Phosphorus triiodide pi3  
1264 ClSSCl Disulfur dichloride s2cl2  
1265 SF3 Sulfur trifluoride sf3  
1266 ClF3 Chlorine trifluoride clf3  
1267 BrF3 Bromine trifluoride brf3  
1268 IF3 iodone trifluoride if3  
1269 HClO3 Chloric Acid hclo3  
1270 CHF3 Methane, trifluoro- chf3  
1271 CHF2Cl difluorochloromethane chf2cl  
1272 SiHF3 trifluorosilane sihf3  
1273 CHFCl2 fluorodichloromethane chfcl2  
1274 CDCl3 trichloromethane-d cdcl3  
1275 CHCl3 Chloroform chcl3  
1276 CHBrF2 Methane, bromodifluoro- chbrf2  
1277 SiHCl3 Trichlorosilane sihcl3  
1278 CHFClBr fluorochlorobromomethane chfclbr  
1279 CHBrCl2 Methane, bromodichloro- chbrcl2  
1280 CHF2I difluoroiodomethane chf2i  
1281 CHBr2F dibromofluoromethane chbr2f  
1282 CHFClI fluorochloroiodomethane chfcli  
1283 CHCl2I dichloroiodomethane chcl2i  
1284 CHClBr2 Methane, dibromochloro- chclbr2  
1285 CHBr3 bromoform chbr3  
1286 CHI3 Iodoform chi3  
1287 NF3H+ protonated nitrogen trifluoride nf3h+  
1288 AsF3H+ Arsenic trifluoride, protonated asf3h+  
1289 C2H2F2 Ethene, 1,2-difluoro-, (E)- c2h2f2e  
1290 C2H2F2 Ethene, 1,2-difluoro-, (Z)- c2h2f2z  
1291 CH2CF2 Ethene, 1,1-difluoro- ch2cf2  
1292 C2H2ClF 1-chloro-1-fluoroethylene c2h2clf  
1293 CHFCHCl (E)-1-chloro-2-fluoroethene chfchcle  
1294 CHFCHClz (Z)-1-Chloro-2-fluoroethene chfchclz  
1295 CH2CCl2 Ethene, 1,1-dichloro- ch2ccl2  
1296 CHClCHCl Ethene, 1,2-dichloro-, (E)- chclchcle  
1297 CHClCHCl Ethene, 1,2-dichloro-, (Z)- chclchclz  
1298 C2H2Br2 1,1-dibromoethene c2h2br2  
1299 CHBrCHBr Ethene, 1,2-dibromo-, (E)- chbrchbre  
1300 CHBrCHBr Ethene, 1,2-dibromo-, (Z)- chbrchbrz  
1301 CH2FCHO Fluoroacetaldehyde ch2fcho  
1302 CH3COF Acetyl fluoride ch3cof  
1303 CH2ClCHO chloroacetaldehyde ch2clcho  
1304 CH3COCl Acetyl Chloride ch3cocl  
1305 C2H4F2 1,2-difluoroethane c2h4f2  
1306 CH3CHF2 Ethane, 1,1-difluoro- ch3chf2  
1307 CH2FCH2Cl Ethane, 1-chloro-2-fluoro- ch2fch2cl  
1308 CH3CHFCl Ethane, 1-chloro-1-fluoro- ch3chfcl  
1309 CH2ClCH2Cl Ethane, 1,2-dichloro- ch2clch2cl  
1310 CH3CHCl2 Ethane, 1,1-dichloro- ch3chcl2  
1311 CH2BrCH2Cl 1-bromo-2-chloroethane ch2brch2cl  
1312 CH2BrCH2Br Ethane, 1,2-dibromo- ch2brch2br  
1313 CH2CFCH3 2-fluoropropene 2fpro  
1314 CH2CHCH2F Allyl Fluoride allylf  
1315 CH3CHCHF trans-1-Fluoro-1-propene propene1ft  
1316 C3H5Cl 1-Propene, 3-chloro- prop1cl3  
1317 C3H5Cl 1-chloro-1-propene(E) prop1cl1e  
1318 C3H5Cl 1-chloro-1-propene(Z) prop1cl1z  
1319 CH2FCH2OH 2-fluoroethanol ch2fch2oh  
1320 CH2ClCH2OH 2-Chloroethanol ch2clch2oh  
1321 CH2ClCH2OH2+ 2-chloroethanol, protonated ch2clch2oh2+  
1322 CH2FCH2CH3 1-Fluoropropane prf1  
1323 CH3CHFCH3 2-Fluoropropane prf2  
1324 CH2ClCH2CH3 Propane, 1-chloro- prcl1  
1325 CH3CHClCH3 Propane, 2-chloro- prcl2  
1326 CH3CH2CH2Br n-propyl bromide prbr  
1327 CH3CHBrCH3 i-propyl bromide iprbr  
1328 C3H9O+ trimethyl oxonium cation c3h9o+  
1329 B5H9 pentaborane9 b5h9  
1330 C5H4 pentatetraene ptrene  
1331 C5H5 cyclopentadienyl radical c5h5  
1332 C5H5- cylopentadienyl anion c5h5-  
1333 C5H6 1,3-Cyclopentadiene c542927  
1334 C5H6 1-Buten-3-yne, 2-methyl- c78808  
1335 C5H6 3-Penten-1-yne, (E)- c2004695  
1336 C5H6 3-Penten-1-yne, (Z)- c1574409  
1337 C5H6 Bicyclo[2.1.0]pent-2-ene c5164352  
1338 C5H6 Cyclopropylacetylene c6746947  
1339 C5H6 Propellane propellane  
1340 C5H7 1,3-pentadienyl radical pdyl  
1341 C5H7 cyclopentenyl radical cpyl  
1342 C5H8 1,2-Butadiene, 3-methyl- c598254  
1343 C5H8 1,2-Pentadiene c591957  
1344 C5H8 1,3-Butadiene, 2-methyl- c78795  
1345 C5H8 1,3-Pentadiene, (E)- c2004708  
1346 C5H8 1,3-Pentadiene, (Z)- c1574410  
1347 C5H8 1,4-Pentadiene c591935  
1348 C5H8 1-pentyne a1pentyne  
1349 C5H8 2,3-Pentadiene c591968  
1350 C5H8 Bicyclo[1.1.1]pentane bcp  
1351 C5H8 Cyclobutane, methylene- c1120565  
1352 C5H8 Cyclopentene c142290  
1353 C5H8 Ethenylcyclopropane c693867  
1354 CH3CCCH2CH3 2-Pentyne 2pentyne  
1355 C5H10 1-Butene, 2-methyl- c563462  
1356 C5H10 2-Butene, 2-methyl- c513359  
1357 C5H10 2-Pentene, (E)- c646048  
1358 C5H10 2-Pentene, (Z)- c627203  
1359 C5H10 Cyclopentane c287923  
1360 C5H10 Cyclopropane, 1,1-dimethyl- c1630940  
1361 CH2CHCH2CH2CH3 1-pentene pentene  
1362 C5H11 2-Methylbut-2-yl radical c4348350  
1363 C5H12 Butane, 2-methyl- buta2  
1364 C5H12 Pentane pentane  
1365 C5H12 Propane, 2,2-dimethyl- neopentane  
1366 Si(CH3)4 tetramethylsilane tms  
1367 N2O3 Dinitrogen trioxide n2o3  
1368 C3H2N2 Malononitrile c3h2n2  
1369 CH2N4 1H-Tetrazole 1htz  
1370 C3H3N2 imidazolyl radical im  
1371 C3H3N2- imidizolyl anion im-  
1372 C2H3N3 1H-1,2,4-Triazole c288880  
1373 C4H4N pyrrolide radical c4h4n  
1374 C4H4N- pyrrolide anion c4h4n-  
1375 C3H4N2 1H-Imidazole 1himidaz  
1376 C3H4N2 1H-Pyrazole 1hpyraz  
1377 C3H4N2 2H-Imidazole imid2h  
1378 C3H4N2 4H-Imidazole imid4h  
1379 C4H5N (E)-2-Butenenitrile c627269  
1380 C4H5N (Z)-2-Butenenitrile c1190767  
1381 C4H5N 2H-pyrrole pyrrole2  
1382 C4H5N 3H-pyrrole pyrrole3  
1383 C4H5N Cyclopropanecarbonitrile c5500210  
1384 C4H5N Pyrrole pyrrole  
1385 CH2CHCH2CN Allylcyanide ch2chch2cn  
1386 C4H6N+ pyrrole, alpha-protonated appyr  
1387 C4H6N+ pyrrole, beta-protonated bppyr  
1388 C4H6N+ pyrrole, protonated ppyr  
1389 C3H6N2 3-Aminopropionitrile c151188  
1390 CH3CH(CH3)CN Propanenitrile, 2-methyl- c4h7n  
1391 CH3CH2CH2CN Butanenitrile c109740  
1392 C5H8 Bicyclo[2.1.0]pentane c185944  
1393 C5H8 Spiropentane c157404  
1394 C4H9N Cyclobutylamine cbam  
1395 C4H9N Pyrrolidine pyrrolidine  
1396 C3H10N2 1,2-Diaminopropane diampr12  
1397 C(CH3)3NH2 2-Propanamine, 2-methyl- c75649  
1398 C(NH2)H2C(CH3)HCH3 1-Propanamine, 2-methyl- c78819  
1399 C(NH2)H2CH2CH2CH3 1-Butanamine butam1  
1400 CH3C(NH2)HCH2CH3 2-Butanamine butam2  
1401 NH(C2H5)2 diethylamine dea  
1402 NC4H12+ tetramethyl ammonium cation nc4h12+  
1403 C3O2 Carbon suboxide c3o2  
1404 C3O2+ Carbon suboxide cation c3o2+  
1405 B2O3 diboron trioxide b2o3  
1406 MgCO3 Magnesium Carbonate mgco3  
1407 BeCO3 Beryllium Carbonate beco3  
1408 CaCO3 Calcium Carbonate caco3  
1409 ONONO Nitrosyl nitrite onono  
1410 PO4--- phosphate po4---  
1411 SO4-- sulfate so4--  
1412 HOONO2 peroxy nitric acid hoono2  
1413 HSO4- bisulfate anion hso4-  
1414 C2H2N2S 1,3,4-Thiadiazole c2h2n2s  
1415 C3H2O2 Propiolic acid c3h2o2  
1416 CHOCOOH oxo acetic acid oaa  
1417 CHOOCHO diformyl ether choocho  
1418 H2SO4 Sulfuric acid h2so4  
1419 H2SeO4 Selenic acid h2seo4  
1420 C3H3NO Isoxazole isox  
1421 C3H3NO Oxazole oxazole  
1422 C3H3NS Thiazole thiazole  
1423 CH3C(O)OO acetyl peroxy radical ch3coo2  
1424 CH3NO3 Methyl nitrate ch3no3  
1425 H3PO4 Phosphoric Acid h3po4  
1426 C4H4O Furan furan  
1427 C4H4O+ Furan cation furan+  
1428 CH3COCCH 3-butyn-2-one c1423605  
1429 C4H4S Thiophene furans  
1430 C4H4Se selenophene c4h4se  
1431 C3H4O2 β–Propiolactone beta  
1432 C3H4O2 2-Propenoic acid propenoic2  
1433 C3H4O2 Methyl glyoxal megly  
1434 C3H4O2 propanedial propanedial  
1435 C3H4O2 propenalol propenalol  
1436 HOCHCCHOH allenediol aldiol  
1437 C2H4O3 1,2,3-trioxolane c2h4o3  
1438 C2H4O3 trioxolane124 triox  
1439 HOCH2COOH Hydroxyacetic acid hac  
1440 CH2CHCONH2 Acrylamide c79061  
1441 CH3OCH2CN Methoxyacetonitrile c1738369  
1442 CH5N3S Hydrazinecarbothioamide c79196  
1443 H2NCH2COOH Glycine glycine  
1444 CH3SO2NH2 methanesulfonamide ch3so2nh2  
1445 C4H6O cis-2-butenal butenal2c  
1446 C4H6O Cyclobutanone cbutone  
1447 C4H6O Furan, 2,3-dihydro- furan23h  
1448 C4H6O Furan, 2,5-dihydro- furan25h  
1449 CH2CHOCHCH2 Vinyl ether vinylether  
1450 CHOCHCHCH3 2-Butenal butenal2  
1451 C4H6S Thiophene, 2,3-dihydro- thiop23h  
1452 C4H6S Thiophene, 2,5-dihydro- thiop25h  
1453 CH2CHSCHCH2 Divinyl sulfide divis  
1454 C2H6N2O Urea, methyl- c598505  
1455 C3H6O2 1,3-Dioxolane dioxolane  
1456 CH3CH2COOH Propanoic Acid propanoic  
1457 CH3COOCH3 methyl acetate aame  
1458 HCOOC2H5 Ethyl formate faee  
1459 C2H6O2S Dimethyl sulfone c67710  
1460 CH3SSSCH3 dimethyl trisulfide c2h6s3  
1461 C3H7NO dimethylformamide dmf  
1462 C3H7NO Propanamide propanam  
1463 C2H3OC2H5 Ethene, ethoxy- c109922  
1464 C4H8O Cyclobutanol c2919235  
1465 C4H8O Furan, tetrahydro- thf  
1466 CH2C(CH3)OCH3 1-Propene, 2-methoxy- pre1meo2  
1467 CH3COCH2CH3 2-Butanone buta2one  
1468 CHOCH(CH3)CH3 Propanal, 2-methyl- c78842  
1469 CHOCH2CH2CH3 Butanal butanal  
1470 C4H8S Thiophene, tetrahydro- tht  
1471 C3H8O2 1,3-Propanediol c504632  
1472 C3H8O2 Hydroperoxide, 1-methylethyl c3031752  
1473 C3H8O2 Methane, dimethoxy- c109875  
1474 C3H8O2 Propylene glycol c57556  
1475 C3H8S2 1,3-Propanedithiol c109808  
1476 C4H10O 1-Butanol butanol1  
1477 C4H10O 1-Propanol, 2-methyl- c78831  
1478 C4H10O 2-Butanol, (.+/-.)- butanol2  
1479 C4H10O Ethanol, 1,1-dimethyl- tbuoh  
1480 C4H10O Ethoxy ethane etoet  
1481 C4H10O Methyl propyl ether meopr  
1482 C4H10O Propane, 2-methoxy- c598538  
1483 C4H10O+ 1-Butanol cation butanol1+  
1484 C(CH3)3SH 2-Propanethiol, 2-methyl- tbush  
1485 C2H5SC2H5 Diethyl sulfide etset  
1486 C4H9SH 1-Butanethiol bush  
1487 CH2(SH)CH(CH3)CH3 1-Propanethiol, 2-methyl- c513440  
1488 CH3C(SCH3)HCH3 Propane, 2-(methylthio)- mesipr  
1489 CH3CH(SH)CH2CH3 2-Butanethiol butansl2  
1490 FNO3 Fluorine nitrate fno3  
1491 ClONO2 Chlorine nitrate clono2  
1492 BrONO2 Bromine nitrate brono2  
1493 TiCl4 Titanium tetrachloride ticl4  
1494 ClO4- perchlorate anion clo4-  
1495 BF4- tetrafluoroboron anion bf4-  
1496 ClFO3 Perchloryl fluoride clfo3  
1497 SO2F2 Sulfuryl fluoride so2f2  
1498 SO2Cl2 Sulfuryl chloride so2cl2  
1499 F3NO Nitrogen trifluoride oxide f3no  
1500 F3PO Phosphoryl fluoride pf3o  
1501 Cl3PO Phosphoryl chloride pcl3o  
1502 CF4 Carbon tetrafluoride cf4  
1503 CF3Cl Methane, chlorotrifluoro- cf3cl  
1504 SiF4 Silicon tetrafluoride sif4  
1505 CF2Cl2 difluorodichloromethane cf2cl2  
1506 TiF4 Titanium tetrafluoride tif4  
1507 CFCl3 Trichloromonofluoromethane cfcl3  
1508 CF3Br Bromotrifluoromethane cf3br  
1509 GeF4 Germanium tetrafluoride gef4  
1510 CCl4 Carbon tetrachloride ccl4  
1511 CCl4+ Carbon tetrachloride cation ccl4+  
1512 CBrClF2 Methane, bromochlorodifluoro- cbrclf2  
1513 SiCl4 Silane, tetrachloro- sicl4  
1514 CBrCl2F bromodichlorofluoromethane cbrcl2f  
1515 CF3I trifluoroiodomethane cf3i  
1516 CBrCl3 Methane, bromotrichloro- cbrcl3  
1517 CBr2F2 Methane, dibromodifluoro- cbr2f2  
1518 GeCl4 Germanium Tetrachloride gecl4  
1519 CBr2ClF dibromochlorofluoromethane cbr2clf  
1520 CBr2Cl2 dibromodichloromethane cbr2cl2  
1521 CCl3I trichloroiodomethane ccl3i  
1522 CFBr3 fluorotribromomethane cfbr3  
1523 CFClBrI fluorochlorobromoiodomethane cfclbri  
1524 CBr3Cl tribromochloromethane cbr3cl  
1525 CF2I2 difluorodiiodomethane cf2i2  
1526 CBr4 Carbon tetrabromide cbr4  
1527 CCl2I2 dichlorodiiodomethane ccl2i2  
1528 SiBr4 Silicon tetrabromide sibr4  
1529 CBr3I tribromoiododmethane cbr3i  
1530 GeBr4 Germanium tetrabromide gebr4  
1531 CI4 tetraiodomethane ci4  
1532 SiI4 silicon tetraiodide sii4  
1533 ClOF3 Chlorine trifluoride oxide clof3  
1534 SF4 Sulfur tetrafluoride sf4  
1535 SeF4 Selenium tetrafluoride sef4  
1536 SCl4 Sulfur tetrachloride scl4  
1537 C2HF3 Trifluoroethylene c2hf3  
1538 C2HF3+ Trifluoroethylene cation c2hf3+  
1539 CHClCCl2 Trichloroethylene chclccl2  
1540 CHBrCF2 1-Bromo-2,2-difluoroethylene chbrcf2  
1541 HClO4 perchloric acid hclo4  
1542 HSO3F Fluorosulfonic acid hso3f  
1543 CF3OH trifluoromethanol cf3oh  
1544 CH2ClCCCl 1,3-dichloropropyne ch2clcccl  
1545 CHClCCHCl 1,3-dichloroallene chclcchcl  
1546 CHCl2CCH 3,3-dichloropropyne chcl2cch  
1547 CHCl2CHO dichloroacetaldehyde chcl2cho  
1548 PF3CH2 phosphorane, trifluoromethylene- pf3ch2  
1549 CH3CF3 Ethane, 1,1,1-trifluoro- ch3cf3  
1550 CHF2CH2F Ethane, 1,1,2-trifluoro ch2fchf2  
1551 CH3CF2Cl 1-Chloro-1,1-Difluoroethane ch3cf2cl  
1552 CH3CFCl2 1,1-Dichloro-1-fluoroethane ch3cfcl2  
1553 CH2ClCHCl2 1,1,2-trichloroethane ch2clchcl2  
1554 CH3CCl3 Ethane, 1,1,1-trichloro- ch3ccl3  
1555 SiCl3CH3 methyltrichlorosilane sicl3ch3  
1556 CH3CBr3 1,1,1-tribromoethane ch3cbr3  
1557 NH3BCl3 Amminetrichloroboron nh3bcl3  
1558 SiH3CCl3 (trichloromethyl)silane sih3ccl3  
1559 CH2CClCHCH2 1,3-Butadiene, 2-chloro- c4h5cl  
1560 C3H5ClO Oxirane, (chloromethyl)- c106898  
1561 CH2FCH2CH2F 1,3-difluoropropane ch2fch2ch2f  
1562 CH3CF2CH3 2,2-difluoropropane ch3cf2ch3  
1563 CH2ClCH2CH2Cl 1,3-dichloropropane prdicl13  
1564 CH2ClCHClCH3 Propane, 1,2-dichloro- prdicl12  
1565 CH3CCl2CH3 Propane, 2,2-dichloro- prdicl22  
1566 CHCl2CH2CH3 1,1-dichloropropane prdicl11  
1567 SiCl2(CH3)2 dichlorodimethylsilane sicl2me2  
1568 CH2CClCH2CH3 1-Butene, 2-chloro- bute1cl2  
1569 CH2CHCH2CH2Cl 1-Butene, 4-chloro- bute1cl4  
1570 CH2CHCHClCH3 1-Butene, 3-chloro- bute1cl3  
1571 CH2ClCHCHCH3 2-Butene, 1-chloro- bute2cl1  
1572 CH3CClCHCH3 2-Butene, 2-chloro-, (E)- bute2cl2e  
1573 CH3CClCHCH3 2-Butene, 2-chloro-, (Z)- bute2cl2z  
1574 CHClCHCH2CH3 (E)-1-Chloro-1-butene bute1cl1  
1575 CHClCHCH2CH3 (Z)-1-Chloro-1-butene bute1cl1z  
1576 C4H9F 1-fluorobutane butaf1  
1577 CH3CHFCH2CH3 2-fluorobutane butaf2  
1578 CH2ClCH2CH2CH3 Butane, 1-chloro- butacl1  
1579 CH3CCl(CH3)CH3 Propane, 2-chloro-2-methyl- procl2me2  
1580 CH3CHClCH2CH3 Butane, 2-chloro- butacl2  
1581 XeF4 Xenon tetrafluoride xef4  
1582 C2H2N2O Furazan furazan  
1583 CF3PH2 phosphine, (trifluoromethyl)- cf3ph2  
1584 NH3BF3 Amminetrifluoroboron nh3bf3  
1585 C6H2 hexatriyne c6h2  
1586 C6H4 (E)-Hexa-1,5-diyne-3-ene c6h4e  
1587 C6H4 (Z)-Hexa-1,5-diyne-3-ene c6h4z  
1588 C6H4 Benzyne benzyne  
1589 C6H5 phenyl phenyl  
1590 C6H5- phenyl anion phenyl-  
1591 C6H6 Prismane prismane  
1592 C6H6 1,2,4,5-Hexatetraene ht1245  
1593 C6H6 2,4-Hexadiyne hexadiyne  
1594 C6H6 3,4-Dimethylenecyclobutene cb34m  
1595 C6H6 Benzene benzene  
1596 C6H6 Benzvalene bv  
1597 C6H6 Dewar Benzene dewar  
1598 C6H6 Hexa-1,5-diene-3-yne hdy153  
1599 C6H6 Trimethylenecycopropane tmcp  
1600 C6H6+ Benzene cation c6h6+  
1601 C6H7+ benzene, protonated c6h7+  
1602 C6H8 (E)-hexa-1,3,5-triene c821078  
1603 C6H8 (E)-hexa-2,3,4-triene c59660650  
1604 C6H8 (Z)-hexa-1,3,5-triene hexatri135  
1605 C6H8 (Z)-hexa-2,3,4-triene hetr234c  
1606 C6H8 1,3-Cyclohexadiene cyhexadiene13  
1607 C6H8 1,4-Cyclohexadiene cyhexadiene14  
1608 C6H8 3-Methylenecyclopentene c930267  
1609 C6H8 Bicyclo[2.1.1]hex-2-ene c822413  
1610 C6H8 Bicyclo[2.2.0]hex-1(4)-ene c30830207  
1611 C6H8 Bicyclo[3.1.0]hex-2-ene c694019  
1612 C6H10 1,3-Hexadiene, (E)- hexdi13e  
1613 C6H10 1,3-Hexadiene, (Z)- hexdi13z  
1614 C6H10 1,4-Hexadiene, (E)- hexdi14t  
1615 C6H10 1,4-Hexadiene, (Z)- hexdi14z  
1616 C6H10 1,5-Hexadiene c592427  
1617 C6H10 1-Butyne, 3,3-dimethyl- c917920  
1618 C6H10 1-Hexyne hexyne1  
1619 C6H10 2,4-Hexadiene, (E,E)- hexdi24ee  
1620 C6H10 2,4-Hexadiene, (E,Z)- hexdi24ez  
1621 C6H10 2,4-Hexadiene, (Z,Z)- hexdi24zz  
1622 C6H10 2-Hexyne c764352  
1623 C6H10 3-Hexyne hexyne3  
1624 C6H10 cyclohexene cyclohexene  
1625 C6H10 Cyclopentene, 1-methyl- c693890  
1626 C6H10 Cyclopentene, 3-methyl- c1120623  
1627 C6H10 Cyclopentene, 4-methyl- c1759815  
1628 C4H6(CH3)2 1,1-dimethylcyclobutane dmcb11  
1629 C6H12 (1R,2R)-1,2-dimethylcyclobutane dmcb12t  
1630 C6H12 (1r,3r)-1,3-dimethylcyclobutane dmcb13t  
1631 C6H12 (E)-2-Hexene e2hexene  
1632 C6H12 (E)-3-methylpent-2-ene c616126  
1633 C6H12 (E)-hex-3-ene e3hexene  
1634 C6H12 (Z)-3-methylpent-2-ene c922623  
1635 C6H12 (Z)-hex-2-ene z2hexene  
1636 C6H12 (Z)-hex-3-ene z3hexene  
1637 C6H12 2,3-dimethylbut-1-ene c563780  
1638 C6H12 2,3-dimethyl-but-2-ene tmeet  
1639 C6H12 3-methylenepentane c760214  
1640 C6H12 cis-1,2-dimethylcyclobutane dmcb12c  
1641 C6H12 cis-1,3-dimethylcyclobutane dmcb13c  
1642 C6H12 Cyclohexane cyclohexane  
1643 C6H12 Cyclopentane, methyl- c96377  
1644 C6H12 Ethylcyclobutane c4806615  
1645 C6H12 hex-1-ene hexene1  
1646 C6H14 Butane, 2,2-dimethyl- buta22  
1647 C6H14 Butane, 2,3-dimethyl- buta23  
1648 C6H14 Hexane hexane  
1649 C6H14 Pentane, 2-methyl- penta2  
1650 C6H14 Pentane, 3-methyl- penta3  
1651 C4N2 2-Butynedinitrile c4n2  
1652 N3P3 1,3,5,2,4,6-Triazatriphosphorine n3p3  
1653 C4H2N2 Fumaronitrile c4h2n2  
1654 C2H2N4 sym-tetrazine ttz  
1655 C3H3N3 1,3,5-Triazine triazine135  
1656 CH3N5 5-Aminotetrazole c4418615  
1657 C4H4N2 1,3-Diazine diazine13  
1658 C4H4N2 Pyrazine pyrazine  
1659 C4H4N2 Pyridazine pyridazine  
1660 C4H4N2 Succinonitrile c110612  
1661 C2H4N4 1H-Tetrazole, 1-methyl- c16681779  
1662 C2H4N4 1H-Tetrazole, 5-methyl- c4076362  
1663 C2H4N4 2H-Tetrazole, 2-methyl- c16681780  
1664 C5H5N Bicyclo[1.1.0]butane-1-carbonitrile bibucn  
1665 C5H5N E-2,4-pentadienenitrile bdcn  
1666 C5H5N Pyridine pyridine  
1667 B3N3H6 borazine borazine  
1668 C6H6 Fulvene fulvene  
1669 C5H6N+ Pyridinium c5h6n  
1670 C4H6N2 1H-Imidazole, 2-methyl- c693981  
1671 C5H7N (E)-2-Pentenenitrile c26294984  
1672 C5H7N (E)-3-Pentenenitrile c16529661  
1673 C5H7N (Z)-2-Pentenenitrile c25899507  
1674 C5H7N 1H-Pyrrole, 1-methyl- c96548  
1675 C5H7N Cyclobutanecarbonitrile c4426113  
1676 C5H9N 1,2,3,6-Tetrahydropyridine c694053  
1677 C5H9N Butanenitrile, 2-methyl- c18936179  
1678 C5H9N Pentanenitrile c110598  
1679 C5H9N Propanenitrile, 2,2-dimethyl- c630182  
1680 C6H10 Bicyclo[3.1.0]hexane c285585  
1681 C5H11N Cyclopentanamine cypentam  
1682 C5H11N Piperidine piper  
1683 C4H12N2 1,2-Butanediamine c4426486  
1684 C4H12N2 2-Methyl-1,2-propanediamine c811938  
1685 Li2CO3 Lithium Carbonate li2co3  
1686 Na2CO3 Sodium Carbonate na2co3  
1687 C2O4-- oxalate anion c2o4  
1688 MgSO4 Magnesium Sulfate mgso4  
1689 N2O4 Dinitrogen tetroxide n2o4  
1690 C3H2O3 vinylene carbonate vica  
1691 C2H2O4 Oxalic Acid oxalic  
1692 C2H3NO3 Oxamic acid oxamic  
1693 C4H4O2 2(5H)-Furanone furanone  
1694 C4H4O2 2-Oxetanone, 4-methylene- c674828  
1695 C2H4N2O2 Oxalamide oxalamide  
1696 C2H4N2S2 Ethanedithioamide c79403  
1697 C2H4CO3 Ethylene carbonate etco3  
1698 C3H4O2S 2H-Thiete-1,1-dioxide c7285327  
1699 C3H4S3 1,3-Dithiolane-2-thione c822388  
1700 C2H4O4 Formic acid dimer fadimer  
1701 C4H5NO 3-Methylisoxazole isox3m  
1702 C4H5NO Isoxazole, 5-methyl- c5765446  
1703 C4H5NS 4-Methylthiazole c693958  
1704 C2H5NO3 Nitric acid, ethyl ester c625581  
1705 C5H6O 2H-Pyran pyran2  
1706 C5H6O 2-methylfuran furan2m  
1707 C5H6O 3-Methylfuran furan3m  
1708 C5H6O Pentadienal pdal  
1709 C5H6S Thiophene, 2-methyl- c554143  
1710 C5H6S Thiophene, 3-methyl- c616444  
1711 C4H6O2 γ–Butyrolactone c96480  
1712 C4H6O2 2,3-Butanedione c431038  
1713 C4H6O2 2-Propenoic acid, methyl ester c96333  
1714 C4H6O2 Crotonic Acid crot  
1715 C4H6OS 2,3-dihydrothiophene-2-ol c9000117  
1716 C4H6OS 2,5-dihydrothiophene-3-ol c9000093  
1717 C4H6OS 4,5-dihydrothiophene-2-ol c9000106  
1718 C4H6OS 4,5-dihydrothiophene-3-ol c9000082  
1719 C4H6OS Dihydro-2-(3H)-thiophenone c1003107  
1720 C4H6OS Dihydro-3-(2H)-thiophenone c1003049  
1721 C4H6OS Vinyl sulfoxide c1115157  
1722 CH6N4S Carbonothioic dihydrazide thiacarb  
1723 C2H6N2O2 (E)-Azodioxymethane c37765154  
1724 C2H6N2O2 Dimethylnitroamine c4164287  
1725 C3H6O3 1,3,5-Trioxane trioxane  
1726 C3H6S3 1,3,5-Trithiane c3h6s3  
1727 C3H6S3 Carbonotrithioic acid, dimethyl ester c2314489  
1728 C2H6O3S Sulfurous acid, dimethyl ester c616422  
1729 C4H7NO 2-Pyrrolidinone c616455  
1730 C4H7NO Ethoxyacetonitrile etoaccn  
1731 C4H7NO Methacrylamide c79390  
1732 C4H7NO Oxazole, 4,5-dihydro-2-methyl- c1120645  
1733 HCONH2CN2H4 formamide aminomethanimine dimer d13  
1734 C3H7ONO Propyl nitrite prono  
1735 CH3CH(CH3)ONO Isopropyl nitrite c541424  
1736 CH3CH(NH2)COOH Alanine alanine  
1737 CH3NHCH2COOH Sarcosine sarcosine  
1738 NH2CH2CH2COOH β–alanine betaalanine  
1739 NH2COOC2H5 Urethane urethane  
1740 C5H8O 2H-Pyran, 3,4-dihydro- c110872  
1741 C5H8O Cyclopentanone c120923  
1742 C5H8O Furan, 2,3-dihydro-5-methyl- c1487156  
1743 C5H8O Methyl cyclopropyl ketone c765435  
1744 N(CH3)2CONH2 Urea, N,N-dimethyl- c598947  
1745 NH(CH3)CONH(CH3) Urea, N,N'-dimethyl- c96311  
1746 NH2CONHC2H5 Urea, ethyl- c625525  
1747 C4H8O2 1,3-Dioxane dioxan13  
1748 C4H8O2 1,3-Dioxolane, 2-methyl- c497267  
1749 C4H8O2 1,4-Dioxane dioxan14  
1750 C4H8O2 Ethene, 1,1-dimethoxy- c922690  
1751 C4H8O2 Ethyl acetate c141786  
1752 C4H8OS s-Ethyl thioacetate c625605  
1753 C3H8O3 1,2,3-Propanetriol glycerin  
1754 C3H8O2S (Methylsulfonyl)ethane c594434  
1755 C4H9NO Butanamide c541355  
1756 C4H9NO Propanamide, 2-methyl- c563837  
1757 C5H10O 2-Butanone, 3-methyl- c563804  
1758 C5H10O 2H-Pyran, tetrahydro- c142687  
1759 C5H10O 2-methylbutyraldehyde 2meba  
1760 C5H10O 2-Pentanone mpk  
1761 C5H10O 3-Pentanone dek  
1762 C5H10O Cyclopentanol c96413  
1763 C5H10O Oxetane, 3,3-dimethyl- c6921353  
1764 C5H10O Pentanal pal  
1765 C5H10S 2H-Thiopyran, tetrahydro- c1613510  
1766 C5H10S 3-Ethylthio-1-propene c5296628  
1767 C5H10S Cyclopentanethiol c1679078  
1768 C5H10S Thiophene, tetrahydro-2-methyl- c1795091  
1769 C5H10S Thiophene, tetrahydro-3-methyl- c4740005  
1770 C4H10O2 1,1-Dimethoxyethane c534156  
1771 C4H10O2 1,3-Butanediol budiol13  
1772 C4H10O2 1,4-Butanediol budiol14  
1773 C4H10O2 Ethane, 1,2-dimethoxy- c110714  
1774 C4H10OS Diethyl sulfoxide c70291  
1775 C4H10S2 1,4-Butanedithiol budisl14  
1776 C4H11NO Diethylhydroxylamine c3710847  
1777 C5H12O 1-Butanol, 2-methyl- c137326  
1778 C5H12O 1-Butanol, 3-methyl- c123513  
1779 C5H12O 1-Pentanol pentanol1  
1780 C5H12O 2-Butanol, 3-methyl- c598754  
1781 C5H12O 2-Pentanol peol2  
1782 C5H12O 3-Pentanol pentan3ol  
1783 C5H12O Butane, 1-methoxy- meobu  
1784 C5H12O Propane, 1-ethoxy- proet  
1785 C5H12O Propane, 2-methoxy-2-methyl- c1634044  
1786 C5H12S 1-Butanethiol, 2-methyl- c1878188  
1787 C5H12S 1-Butanethiol, 3-methyl- c541311  
1788 C5H12S 1-Pentanethiol c110667  
1789 C5H12S 1-Propanethiol, 2,2-dimethyl- c1679089  
1790 C5H12S 2-Butanethiol, 2-methyl- c1679090  
1791 C5H12S 2-Butanethiol, 3-methyl- c2084186  
1792 C5H12S Butane, 1-(methylthio)- c628295  
1793 C5H12S Ethyl propyl sulfide c4110503  
1794 C5H12S Propane, 2-(ethylthio)- c5145993  
1795 C5H12S Propane, 2-methyl-2-(methylthio)- c6163640  
1796 C4F2 difluorobutadiyne c4f2  
1797 ClCOClCO Oxalyl chloride oxcl  
1798 CF3CN Acetonitrile, trifluoro- cf3cn  
1799 CF3CN+ Acetonitrile, trifluoro- cation cf3cn+  
1800 B2F4 Diboron tetrafluoride b2f4  
1801 B2Cl4 Diboron tetrachloride b2cl4  
1802 C2F4 Tetrafluoroethylene c2f4  
1803 C2F4+ Tetrafluoroethylene cation c2f4+  
1804 C2ClF3 Ethene, chlorotrifluoro- c2f3cl  
1805 CF2CCl2 difluorodichloroethylene cf2ccl2  
1806 CFClCClF trans-1,2-dichloro-1,2-difluoroethylene cfclcclf  
1807 CFClCFCl cis-1,2-dichloro-1,2-difluoroethylene cfclcfcl  
1808 C2FCl3 fluorotrichloroethene c2fcl3  
1809 C2Cl4 Tetrachloroethylene c2cl4  
1810 C2Br4 tetrabromoethene c2br4  
1811 CF3OF Trifluoromethylhypofluorite cf3of  
1812 SiF5- silicon pentafluoride anion sif5-  
1813 SOF4 Sulfur tetrafluoride oxide sof4  
1814 PF5 Phosphorus pentafluoride pf5  
1815 AsF5 Arsenic pentafluoride asf5  
1816 PCl5 Phosphorus pentachloride pcl5  
1817 SF5 Sulfur pentafluoride sf5  
1818 SF5+ pentafluoro sulfur cation sf5+  
1819 SbCl5 Antimony pentachloride sbcl5  
1820 BrF5 bromine pentafluoride brf5  
1821 ClF5 chlorinepentafluoride clf5  
1822 IF5 pentafluoroiodine if5  
1823 CF3CHO trifluoroacetaldehyde cf3cho  
1824 CCl3CHO trichloroacetaldehyde ccl3cho  
1825 CHFClCHClF ethane, 1,2-dichloro-1,2-difluoro- chfclchclf  
1826 CF3CH2F 1,1,1,2-tetrafluoroethane cf3ch2f  
1827 CHF2CHF2 1,1,2,2-tetrafluoroethane chf2chf2  
1828 CF3CH2Cl 2,2,2-Trifluoroethyl chloride cf3ch2cl  
1829 CHFClCHFCl 1,2-dichloro-1,2-difluoroethane RR chfclchfcl  
1830 CH2ClCCl3 1,1,1,2-tetrachloroethane ch2clccl3  
1831 CHCl2CHCl2 Ethane, 1,1,2,2-tetrachloro- chcl2chcl2  
1832 CH2BrCBr3 1,1,1,2-tetrabromo ethane c2h2br4  
1833 CHCl2CHF2 1,1-dichloro-2,2-difluoroethane c2h2cl2f2  
1834 CF3COOH trifluoroacetic acid cf3cooh  
1835 C4H3ClO Furan, 2-chloro fur2cl  
1836 C4H3ClO Furan,3-chloro fur3cl  
1837 C3H5ClO2 Carbonochloridic acid, ethyl ester c541413  
1838 C3H5Cl3 Propane, 1,2,3-trichloro- prcl135  
1839 C4H8Cl2 1,4-Dichlorobutane c110565  
1840 C4H8Cl2 Butane, 1,2-dichloro- c616217  
1841 C4H8Cl2 Butane, 1,3-dichloro- c1190223  
1842 C4H8Cl2 Butane, 2,3-dichloro-, (r*,r*)-(.+/-.)- c2211678  
1843 C4H8Cl2 Butane, 2,3-dichloro-, (r*,s*)- c4028562  
1844 C4H9ClO 1-Chloro-2-ethoxyethane c628342  
1845 C5H11Cl Pentane, 1-chloro- pencl1  
1846 C4H8O2 Butanoic acid bua  
1847 C6H5CH2 benzyl radical benzyl  
1848 C7H7 cycloheptatrienyl radical c7h7  
1849 C7H7+ cycloheptatrienyl cation c7h7+  
1850 C6H5CH3 toluene toluene  
1851 C7H8 cycloheptatriene cht  
1852 C7H8 Norbornadiene norbor  
1853 C7H8 Quadricyclane qucy  
1854 C7H12 Norbornane nor  
1855 C7H14 cycloheptane c7h14  
1856 C7H16 2-methylhexane 2mhex  
1857 C7H16 3-methylhexane hex3m  
1858 C7H16 heptane heptane  
1859 CH(CN)3 tricyanomethane mecn3  
1860 HN=C=C(CN)2 Dicyanoketenimine c4hn3  
1861 C6H7N 2-Methylpyridine mp  
1862 C6H5NH2 aniline aniline  
1863 C6H13N 2-Methylpiperidine pip2m  
1864 C6H13N cyclohexanamine cham  
1865 C6H15N triethylamine tea  
1866 N2O5 Dinitrogen pentoxide n2o5  
1867 C4H2O3 Maleic Anhydride malan  
1868 C5H4O2 4-Cyclopentene-1,3-dione cpdio  
1869 C5H4O2 furfural furfural  
1870 C6H5O phenoxy radical phenoxy  
1871 C5H5NO 2(1H)-Pyridinone c72762006  
1872 C5H5NO 2(3H)-Pyridinone c9000048  
1873 C5H5NO 2(5H)-Pyridinone c9000037  
1874 C5H5NO 2-Pyridinol c109104  
1875 C5H5NO 3(2H)-Pyridinone c9000004  
1876 C5H5NO 3(4H)-Pyridinone c9000026  
1877 C5H5NO 3(6H)-Pyridinone c9000015  
1878 C5H5NO 3-Pyridinol c109002  
1879 C5H5NO 4(1H)-Pryidinone c9000060  
1880 C5H5NO 4(3H)-Pryidinone c9000059  
1881 C5H5NO 4-Pyridinol c626642  
1882 C6H5OH phenol phenol  
1883 C6H6O 2,4-Cyclohexadienone c24599573  
1884 C6H6O 2,5-Cyclohexadienone c5664335  
1885 C6H5SH Benzenethiol phsh  
1886 HO2CCHNH2CH2OH Serine serine  
1887 C5H8O2 Acetylacetone acac  
1888 C4H8O2S Sulfolane sulfolane  
1889 C7H10 Norbornene norbornene  
1890 CH(C2H3)3 trivinyl methane tvm  
1891 C6H10O cyclohexanone chexo  
1892 C6H12O hexanal c6h12o  
1893 C6H12O Oxepane oxepane  
1894 C3H7OC3H7 di-n-propyl ether propr  
1895 F2CCCF2 tetrafluoroallene pfa  
1896 CF3COO- trifluoro acetate anion cf3coo-  
1897 CF3COF trifluoroacetyl fluoride cf3cof  
1898 CF3COCl trifluoroacetyl chloride cf3cocl  
1899 PF6 Hexafluorophosphate neutral pf6  
1900 PF6- Hexafluorophosphate ion pf6-  
1901 SF6 Sulfur Hexafluoride sf6  
1902 SeF6 Selenium hexafluoride sef6  
1903 SF5Cl sulfur chloropentafluoride sf5cl  
1904 CF3CHF2 pentafluoroethane cf3chf2  
1905 CF3CHFCl 1,1,1,2-tetrafluorochloroethane cf3chfcl  
1906 CF3CHCl2 1,1-Dichloro-2,2,2-trifluoroethane cf3chcl2  
1907 CHCl2CClF2 Ethane, 1,2,2-trichloro-1,1-difluoro- chcl2cclf2  
1908 CCl3CHCl2 pentachloroethane ccl3chcl2  
1909 C6H5F Fluorobenzene bzf  
1910 C6H5Cl chlorobenzene bzcl  
1911 C6H5Br bromobenzene bzbr  
1912 C8H6 Calicene calicene  
1913 C6H5CCH phenylacetylene phac  
1914 C8H6 benzocyclobutadiene bcbd  
1915 C8H6 Pentalene pentalene  
1916 C6H5CHCH2 Styrene styrene  
1917 C8H8 cubane cubane  
1918 C8H8 cyclooctatetraene cot  
1919 C6H5CH2CH3 Ethylbenzene etbz  
1920 CH3C6H4CH3 meta-xylene mxylene  
1921 CH3C6H4CH3 paraxylene pxylene  
1922 C8H14 Bicyclo[2.2.2]octane bico222  
1923 C8H16 cyclooctane cyclooct  
1924 (CH3)3CC(CH3)3 tetramethylbutane tmb  
1925 C8H18 Octane c8h18  
1926 C6H5CN phenyl cyanide phcn  
1927 C6H12N2 Triethylenediamine ted  
1928 C4O4-- squarate dianion c4o4--  
1929 S4N4 Tetrasulfur tetranitride s4n4  
1930 S8 Octasulfur s8  
1931 C6H4O2 parabenzoquinone pbq  
1932 C4H4N2O2 Uracil uracil  
1933 C6H5CHO benzaldehyde benzal  
1934 C6H5OCH3 Anisole anisole  
1935 C5H9NO2 Proline proline  
1936 C6H12O2 Methyl pivalate c598981  
1937 C6H12O2 Hexanoic acid hexa  
1938 C4F4 tetrafluorcyclobutadiene c4f4  
1939 Al2Cl6 Aluminum, di-μ-chlorotetrachlorodi- al2cl6  
1940 CF3CF2Cl pentafluorochloroethane cf3cf2cl  
1941 CF2ClCF2Cl 1,2-Dichloro-1,1,2,2-tetrafluoroethane cf2clcf2cl  
1942 CF3CFCl2 1,1-Dichlorotetrafluoroethane cf3cfcl2  
1943 CF2ClCFCl2 Ethane, 1,1,2-trichloro-1,2,2-trifluoro- cf2clcfcl2  
1944 CF3CCl3 1,1,1-trifluoro-2,2,2-trichloroethane cf3ccl3  
1945 C2Cl6 hexachloroethane c2cl6  
1946 IF7 Iodine heptafluoride if7  
1947 C6H4F2 metadifluorobenzene mdfb  
1948 C6H4F2 orthodifluorobenzene odfb  
1949 C6H4F2 1,4-difluorobenzene pdfb  
1950 C6H4Cl2 1,2-dichlorobenzene dcb12  
1951 C6H4Cl2 1,3-dichlorobenzene dcb13  
1952 C6H4Cl2 1,4-dichlorobenzene dcb14  
1953 C6H5NO nitrosobenzene bzno  
1954 C9H8 Indene indene  
1955 C9H8 spiro[4.4]nona-1,3,6,8-tetraene snt  
1956 C9H12 n-propyl benzene prbz  
1957 C9H20 Nonane nonane  
1958 C(CN)4 tetracyanomethane c5n4  
1959 C5H4N4 purine purine  
1960 C8H7N Indole indole  
1961 C3H3N3O3 cyanuric acid cyanuric  
1962 C6H5NO2 Nitrobenzene c6h5no2  
1963 C6H5COOH benzoic acid benzo  
1964 CH3COC6H5 acetophenone acph  
1965 C3Cl3N3 1,3,5-Triazine, 2,4,6-trichloro- c3cl3n3  
1966 C3F6 hexafluoropropene c3f6  
1967 C6H3F3 Benzene trifluoride 123 bzf3a  
1968 C8H18O 1-Octanol octanol  
1969 C10H8 Azulene azu  
1970 C10H8 naphthalene naph  
1971 C10H10 bullvalene bullv  
1972 C10H16 adamantane adamantane  
1973 C6N4 Tetracyanoethylene tcne  
1974 C6N4- tetracyanoethylene anion tcne-  
1975 C10H22 Decane decane  
1976 C4F6 perfluorobutadiene c4f6  
1977 SF5CF3 Sulfur, pentafluoro(trifluoromethyl)- sf5cf3  
1978 C3F8 perfluoropropane c3f8  
1979 Fe(CO)5 Iron pentacarbonyl ipc  
1980 Fe(C5H5)2 ferrocene fecp2  
1981 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
1982 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
1983 C12H8 Acenaphthylene acenaph  
1984 C12H8 biphenylene biph  
1985 C12H10 biphenyl biphenyl  
1986 C12H10 Heptalene heptalene  
1987 C6H12O6 Inositol inositol  
1988 C6F6 hexafluorobenzene c6f6  
1989 S2F10 disulphur decafluoride s2f10  
1990 C13H10 Fluorene fluorene  
1991 C14H10 Anthracene anth  
1992 C14H10 Phenanthrene phenanthrene  
1993 C14H14 Bibenzyl bibenzyl  
1994 C12H10N2 azobenzene azobenzene  
1995 C6H5COC6H5 benzophenone benzophenone  
1996 C16H10 Pyrene pyrene  
1997 C18H12 Tetracene tetracene  
1998 C19H16 Triphenylmethane tpm  
1999 C24H12 Coronene coronene  
2000 C60 Buckminsterfullerene c60