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 CCSD=FULL /cc-pV(T+d)Z

Jump to calculations not yet done
count Species Name State Conformation
1 Si Silicon atom 3PKh
2 SiH2 silicon dihydride 1A1C2v
3 SiH2 silicon dihydride 3B1C2v
4 SiH3 Silyl radical 2A1C3v
5 SiH4 Silane 1A1Td
6 P Phosphorus atom 4SKh
7 PH3 Phosphine 1A1C3v
8 PH4+ phosphonium cation   
9 S Sulfur atom 3PKh
10 HS Mercapto radical 2ΠC∞v
11 H2S Hydrogen sulfide 1A1C2v
12 H2S+ Hydrogen sulfide cation 2B1C2v
13 H3S+ Sulfonium cation 1A1C3v
14 Cl Chlorine atom 2PKh
15 HCl Hydrogen chloride 1ΣC∞v
16 HCl+ hydrogen chloride cation 2ΠC∞v
17 H2Cl+ dihydrogen monochloride cation 1A1C2v
18 BAl Boron Aluminum 3ΣC∞v
19 AlC Aluminum carbide 4ΣC∞v
20 Si2H6 disilane 1EuD3d
21 SiP Silicon monophosphide 2ΠC∞v
22 CH2PH Phosphaethene 1A'Cs
23 BH3PH3 borane phosphine   
24 LiS Lithium monosulfide 2ΠC∞v
25 CaS Calcium sulfide 1ΣC∞v
26 GeO Germanium monoxide 1ΣC∞v
27 SiSe Silicon Monoselenide   
28 PO Phosphorus monoxide 2ΠC∞v
29 PS phosphorus sulfide 2ΣC∞v
30 SO Sulfur monoxide 3ΣC∞v
31 S2 Sulfur diatomic 3ΣgD∞h
32 Se2 Selenium diatomic 3ΣgD∞h
33 HSO+ Sulfur Monoxide, S-protonated   
34 SOH Sulfur Hydroxide   
35 SOH+ Sulfur Monoxide, protonated   
36 H2CS Thioformaldehyde 1A1C2v
37 H2CSe Selenoformaldehyde   
38 H2S2 Disulfane 1AC2
39 H2S2+ hydrogen disulfide cation 2BgC2h
40 H2CSH+ Thioformaldehyde, protonated 1A'Cs
41 H2POH Phosphinous acid 1A1'CS trans
42 H2POH Phosphinous acid 1A1'CS cis
43 H3PO Phosphine oxide 1A1C3v
44 CH3SH Methanethiol 1A'Cs
45 CH3SH2+ protonated methylsulfide 1A'Cs
46 LiCl lithium chloride 1ΣC∞v
47 AlCl Aluminum monochloride 1ΣC∞v
48 SiF silicon monofluoride 2ΠC∞v
49 SiF+ silicon monofluoride cation 1ΣC∞v
50 NCl nitrogen monochloride 3ΣC∞v
51 ClO Monochlorine monoxide 2ΠC∞v
52 SF Monosulfur monofluoride 2ΠC∞v
53 SF+ sulfur monofluoride cation 3ΣC∞v
54 SCl sulfur monochloride 2ΠC∞v
55 SCl+ sulfur monochloride cation 3ΣgC∞v
56 SBr Sulfur monobromide radical   
57 Cl2- chlorine diatomic anion 2ΣuD∞h
58 Cl2+ chlorine diatomic cation 2ΠgD∞h
59 CH3Cl Methyl chloride 1A1C3v
60 SiH3Cl chlorosilane 1A1C1
61 Si3H8 trisilane   
62 Li2S dilithium sulfide 1ΣGD∞h
63 Li2S dilithium sulfide 1A1C2v
64 NNS Nitrogen sulfide 1ΣC∞v
65 OCS Carbonyl sulfide 1ΣC∞v
66 SiS2 Silicon disulfide 1ΣGD∞h
67 NSO sulfinyl amidogen   
68 SNO Nitrogen oxide sulfide   
69 SO2 Sulfur dioxide 1A1C2v
70 S3 Sulfur trimer   
71 S3+ Sulfur trimer cation 2B2C2v
72 CH2CS Thioketene   
73 C2H4S Thiirane 1A1C2v
74 CH3CHS Thioacetaldehyde 1A'C1
75 CH3SSH Hydrogen methyl disulfide   
76 CH3CH2SH ethanethiol 1A'Cs
77 FNS Thionitrosyl fluoride 1A'Cs
78 FSN Thiazyl fluoride 1A'Cs
79 OPCl Phosphorus oxychloride   
80 GeCl2 Germanium dichloride 1A1C2v
81 OClO Chlorine dioxide 2B1D∞h
82 ClSO Sulfur chloride oxide 2A"Cs
83 FClO chlorosyl fluoride 1A'Cs
84 ClOF Chlorine hypofluorite 1A'Cs
85 SF2 sulfur difluoride 1A1C2v
86 SCl2 Sulfur dichloride 1A1C2v
87 SeCl2 Selenium Dichloride   
88 SBr2 Sulfur dibromide   
89 SeBr2 Selenium dibromide   
90 CH2F2 Methane, difluoro- 1A1C2v
91 CH2Cl2 Methylene chloride 1A1C2v
92 SiH2Cl2 dichlorosilane 1A1C2v
93 S2N2 Disulfur dinitride 1AGD2h
94 CS3-- Carbonotrithioate   
95 SO3 Sulfur trioxide 1A1'D3h
96 S4 Sulfur tetramer   
97 S4 Sulfur tetramer   
98 S4 Sulfur tetramer   
99 H3AlO3 Aluminum hydroxide   
100 CH3CSNH2 Ethanethioamide   
101 AlF3 Aluminum trifluoride 1A1'D3h
102 SiF3 Silicon trifluoride radical 2A1C3v
103 ClO2F Chloryl fluoride 1A'Cs
104 F2SO Thionyl Fluoride 1A'Cs
105 S2F2 Thio-thionyl fluoride 1A'Cs
106 SSCl2 Thiothionyl chloride   
107 SF3 Sulfur trifluoride 2A'Cs
108 ClF3 Chlorine trifluoride 1A1'D3h
109 ClF3 Chlorine trifluoride 1A1C2v
110 HClO3 Chloric Acid 1AC1
111 H2SO4 Sulfuric acid 1AC1
112 C2H6O2S Dimethyl sulfone 1A1C2v
113 CF2Cl2 difluorodichloromethane 1A1C2v
114 SF4 Sulfur tetrafluoride 1A1C2v
115 SiH3CCl3 (trichloromethyl)silane 1A1C3v
116 SiF5- silicon pentafluoride anion   
117 SOF4 Sulfur tetrafluoride oxide 1A1C2v
118 PF5 Phosphorus pentafluoride 1A1'D3h
119 CHCl2CHCl2 Ethane, 1,1,2,2-tetrachloro-   
120 PF6- Hexafluorophosphate ion 1A1GOh
121 SF6 Sulfur Hexafluoride 1A1GOh
122 SF5Cl sulfur chloropentafluoride 1A1C4v
123 Al2Cl6 Aluminum, di-μ-chlorotetrachlorodi- 1AGD2h

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 h  
5 H- Hydrogen atom anion h-  
6 H+ Hydrogen atom cation h+  
7 D2 Deuterium diatomic d2  
8 H2 Hydrogen diatomic h2  
9 H2- hydrogen diatomic anion h2-  
10 H2+ Hydrogen cation h2+  
11 HD Deuterium hydride hd  
12 H3+ hydrogen trimer cation h3+  
13 He Helium atom he  
14 He- Helium atom anion he-  
15 He+ Helium atom cation he+  
16 HeH Helium hydride heh  
17 HeH+ Helium hydride cation heh+  
18 He2+ helium diatomic cation he2+  
19 Li Lithium atom li  
20 Li- Lithium atom anion li-  
21 Li+ Lithium atom cation li+  
22 Na Sodium atom na  
23 Na- Sodium atom anion na-  
24 Na+ Sodium atom cation na+  
25 K Potassium atom k  
26 K- Potassium atom anion k-  
27 K+ Potassium atom cation k+  
28 Cu Copper atom cu  
29 Cu- Copper atom anion cu-  
30 Cu+ Copper atom cation cu+  
31 LiH Lithium Hydride lih  
32 LiH- lithium hydride anion lih-  
33 LiH+ lithium hydride cation lih+  
34 NaH sodium hydride nah  
35 NaH- sodium hydride anion nah-  
36 NaH+ sodium hydride cation nah+  
37 KH Potassium hydride kh  
38 KH+ Potassium hydrogen cation kh+  
39 CuH Copper monohydride cuh  
40 Be Beryllium atom be  
41 Be- Beryllium atom anion be-  
42 Be+ Beryllium atom cation be+  
43 Mg Magnesium atom mg  
44 Mg- Magnesium atom anion mg-  
45 Mg+ Magnesium atom cation mg+  
46 Ca Calcium atom ca  
47 Ca- Calcium atom anion ca-  
48 Ca+ Calcium atom cation ca+  
49 Zn Zinc atom zn  
50 Zn- Zinc atom anion zn-  
51 Zn+ Zinc atom cation zn+  
52 BeH beryllium monohydride beh  
53 BeH- berylium monohydride anion beh-  
54 BeH+ beryllium monohydride cation beh+  
55 MgH magnesium monohydride mgh  
56 MgH- magnesium monohydride anion mgh-  
57 MgH+ magnesium monohydride cation mgh+  
58 CaH Calcium monohydride cah  
59 CaH+ Calcium monohydride cation cah+  
60 TiH Titanium monohydride tih  
61 ZnH Zinc monohydride znh  
62 ZnH+ Zinc, protonated znh+  
63 BeH2 beryllium dihydride beh2  
64 BeH2+ Beryllium dihydride cation beh2+  
65 MgH2 magnesium dihydride mgh2  
66 CaH2 Calcium Hydride cah2  
67 ZnH2 Zinc hydride znh2  
68 B Boron atom b  
69 B- Boron atom anion b-  
70 B+ Boron atom cation b+  
71 Al Aluminum atom al  
72 Al- Aluminum atom anion al-  
73 Al+ Aluminum atom cation al+  
74 Sc Scandium atom sc  
75 Sc+ Scandium cation sc+  
76 Ga Gallium atom ga  
77 Ga- Gallium atom anion ga-  
78 Ga+ Gallium atom cation ga+  
79 BH Boron monohydride bh  
80 BH- boron monohydride anion bh-  
81 BH+ boron monohydride cation bh+  
82 AlH aluminum monohydride alh  
83 AlH- aluminum monohydride anion alh-  
84 AlH+ aluminum monohydride cation alh+  
85 ScH Scandium monohydride sch  
86 ScH+ Scandium monohydride cation sch+  
87 GaH Gallium monohydride gah  
88 GaH+ Gallium monohydride cation gah+  
89 BH2 boron dihydride bh2  
90 BH2- boron dihydride anion bh2-  
91 BH2+ Boron dihydride cation bh2+  
92 AlH2 aluminum dihydride alh2  
93 AlH2- aluminum dihydride anion alh2-  
94 AlH2+ aluminum dihydride cation alh2+  
95 BH3 boron trihydride bh3  
96 BH3- boron trihydride anion bh3-  
97 BH3+ boron trihydride cation bh3+  
98 AlH3 aluminum trihydride alh3  
99 AlH3- aluminum trihydride anion alh3-  
100 AlH3+ aluminum trihydride cation alh3+  
101 ScH3 Scandium trihydride sch3  
102 GaH3 Gallium trihydride gah3  
103 BH4 borohydride bh4  
104 BH4- borohydride anion bh4-  
105 AlH4- Aluminum tetrahydride anion alh4-  
106 C Carbon atom c  
107 C- Carbon atom anion c-  
108 C+ Carbon atom cation c+  
109 Si- Silicon atom anion si-  
110 Si+ Silicon atom cation si+  
111 Ti Titanium atom ti  
112 Ti- Titanium atom anion ti-  
113 Ti+ Titanium atom cation ti+  
114 Ge Germanium atom ge  
115 Ge- Germanium anion ge-  
116 Ge+ Germanium cation ge+  
117 Sn Tin atom sn  
118 Sn+ Tin cation sn+  
119 CH Methylidyne ch  
120 CH- methylidyne anion ch-  
121 CH+ Methylidyne cation ch+  
122 SiH Silylidyne sih  
123 SiH- silicon monohydride anion sih-  
124 SiH+ silicon monohydride cation sih+  
125 GeH germylidene geh  
126 GeH+ Germaniun monohyrdide cation geh+  
127 CH2 Methylene ch2  
128 CH2- methylene anion ch2-  
129 CH2+ methylene cation ch2+  
130 SiH2- silicon dihydride anion sih2-  
131 SiH2+ silicon dihydride cation sih2+  
132 GeH2 germylene geh2  
133 GeH2- germylene anion geh2-  
134 CH3 Methyl radical ch3  
135 CH3- methyl anion ch3-  
136 CH3+ methyl cation ch3+  
137 SiH3- Silyl anion sih3-  
138 SiH3+ Silyl cation sih3+  
139 GeH3 Germyl radical geh3  
140 GeH3+ germyl cation geh3+  
141 CD4 methane-d4 cd4  
142 CH2D2 methane-d2 ch2d2  
143 CH3D methane-d ch3d  
144 CH4 Methane ch4  
145 CH4- Methane anion ch4-  
146 CH4+ Methane cation ch4+  
147 CHD3 methane-d3 chd3  
148 SiH2D2 silane-d2 sih2d2  
149 SiH4+ Silane cation sih4+  
150 GeH4 Germane geh4  
151 SnH4 Stannane snh4  
152 SiH5+ Silane, protonated sih5+  
153 N Nitrogen atom n  
154 N- Nitrogen atom anion n-  
155 N+ Nitrogen atom cation n+  
156 P- Phosphorus atom anion p-  
157 P+ Phosphorus atom cation p+  
158 V Vanadium atom v  
159 V+ Vanadium atom cation v+  
160 As Arsenic atomic as  
161 As- Arsenic anion as-  
162 As+ Arsenic cation as+  
163 Sb Antimony atom sb  
164 NH Imidogen nh  
165 NH- Imidogen anion nh-  
166 NH+ imidogen cation nh+  
167 PH phosphorus monohydride ph  
168 PH- phosphorus monohydride anion ph-  
169 PH+ phosphorus monohydride cation ph+  
170 AsH Arsenic monohydride ash  
171 AsH+ Arsenic monohydride cation ash+  
172 SbH Antimony monohydride sbh  
173 ND2 Amidogen-d2 nd2  
174 NH2 Amino radical nh2  
175 NH2- amino anion nh2-  
176 NH2+ Amino cation nh2+  
177 PH2 Phosphino radical ph2  
178 PH2- Phosphino anion ph2-  
179 PH2+ Phosphino cation ph2+  
180 AsH2 Arsenic dihydride ash2  
181 AsH2+ Arsenic dihydride cation ash2+  
182 ND3 Ammonia-d3 nd3  
183 NH3 Ammonia nh3  
184 NH3- Ammonia anion nh3-  
185 NH3+ ammonia cation nh3+  
186 PH3+ Phosphine cation ph3+  
187 AsH3 Arsine ash3  
188 AsH3+ Arsine cation ash3+  
189 SbH3 Stibine sbh3  
190 AsH4+ Arsonium ash4+  
191 NH4 Ammonium radical nh4  
192 NH4+ ammonium cation nh4+  
193 PH4 Phosphoranyl radical ph4  
194 O Oxygen atom o  
195 O- Oxygen atom anion o-  
196 O+ Oxygen atom cation o+  
197 S- Sulfur atom anion s-  
198 S+ Sulfur atom cation s+  
199 Cr Chromium atom cr  
200 Se Selenium atom se  
201 Se- Selenium atom anion se-  
202 Se+ Selenium atom cation se+  
203 Te Tellurium atom te  
204 Te+ Tellurium atom cation te+  
205 DO Hydroxyl-d od  
206 OH Hydroxyl radical oh  
207 OH- hydroxide anion oh-  
208 OH+ hydoxyl cation oh+  
209 DS Mercapto-d ds  
210 HS- mercapto anion sh-  
211 HS+ sulfur monohydride cation sh+  
212 CrH Chromium hydride crh  
213 CrH+ Chromium hydride cation crh+  
214 HSe Selenium monohydride hse  
215 HSe- selenium monohydride anion hse-  
216 HSe+ selenium monohydride cation hse+  
217 TeH Telluryl radical teh  
218 D2O Deuterium oxide d2o  
219 H2O Water h2o  
220 H2O- water anion h2o-  
221 H2O+ water cation h2o+  
222 HDO Water-d1 hdo  
223 D2S Hydrogen sulfide-d2 d2s  
224 H2S- Hydrogen sulfide anion h2s-  
225 H2Se Hydrogen selenide h2se  
226 H2Se+ Hydrogen selenide cation h2se+  
227 H2Te Hydrogen Telluride h2te  
228 H3O+ hydronium cation h3o+  
229 H3Se+ Hydrogen Selenide, protonated h3se+  
230 F Fluorine atom f  
231 F- Fluorine atom anion f-  
232 F+ Fluorine atom cation f+  
233 Cl- Chlorine atom anion cl-  
234 Cl+ Chlorine atom cation cl+  
235 Mn Manganese atom mn  
236 Br Bromine atom br  
237 Br- Bromine atom anion br-  
238 Br+ Bromine atom cation br+  
239 I Iodine atom iodine  
240 I- Iodine atom anion iodine-  
241 I+ Iodine atom cation iodine+  
242 DF Hydrofluoric acid-d df  
243 HF Hydrogen fluoride hf  
244 HF- hydrogen fluoride anion hf-  
245 HF+ hydrogen fluoride cation hf+  
246 DCl Hydrochloric acid-d dcl  
247 HCl- hydrogen chloride anion hcl-  
248 HBr hydrogen bromide hbr  
249 HBr- hydrogen bromide anion hbr-  
250 HBr+ hydrogen bromide cation hbr+  
251 HI Hydrogen iodide hi  
252 HI+ Hydrogen iodide cation hi+  
253 H2F+ dihydrogen fluoride cation h2f+  
254 H2Br+ protonated hydrogen bromide h2br+  
255 H2I+ Iodonium h2i+  
256 Ne Neon atom ne  
257 Ne- Neon atom anion ne-  
258 Ne+ Neon atom cation ne+  
259 Ar Argon atom ar  
260 Ar- Argon atom anion ar-  
261 Ar+ Argon atom cation ar+  
262 Fe Iron atom fe  
263 Kr Krypton atom kr  
264 Kr+ Krypton cation kr+  
265 Xe Xenon atom xe  
266 HeLi+ Helium Lithium cation heli+  
267 NeH neon hydrogen neh  
268 NeH+ neon hydrogen cation neh+  
269 ArH+ Argon hydride cation arh+  
270 KrH+ Protonated Krypton krh+  
271 XeH+ Xenon, protonated xeh+  
272 H2Ar H2 Ar dimer h2ar  
273 Co Cobalt atom cobalt  
274 Ni Nickel atom ni  
275 Li2 Lithium diatomic li2  
276 Li2- lithium diatomic anion li2-  
277 Li2+ lithium diatomic cation li2+  
278 NaLi lithium sodium lina  
279 NaLi- lithium sodium anion lina-  
280 NaLi+ lithium sodium cation lina+  
281 LiK Lithium Potassium lik  
282 Na2 Sodium diatomic na2  
283 Na2- sodium diatomic anion na2-  
284 Na2+ sodium diatomic cation na2+  
285 NaK Sodium Potassium nak  
286 NaK+ Sodium Potassium diatomic cation nak+  
287 K2 Potassium diatomic k2  
288 Cu2 Copper diatomic cu2  
289 LiBe Lithium Beryllium libe  
290 LiMg Lithium magnesium limg  
291 NaBe Sodium Beryllium nabe  
292 NaMg Sodium Magnesium namg  
293 Be2 Beryllium diatomic be2  
294 Be2- Beryllium diatomic anion be2-  
295 Be2+ Beryllium diatomic cation be2+  
296 BeMg Beryllium Magnesium bemg  
297 Mg2 Magnesium diatomic mg2  
298 Mg2- magnesium diatomic anion mg2-  
299 Mg2+ magnesium diatomic cation mg2+  
300 Ca2 Calcium diatomic ca2  
301 LiB Lithium boride lib  
302 LiAl Lithium Aluminum lial  
303 NaAl Sodium aluminum naal  
304 BeB Beryllium monoboride beb  
305 B2 Boron diatomic b2  
306 B2- Boron diatomic anion b2-  
307 B2+ Boron diatomic cation b2+  
308 Al2 Aluminum diatomic al2  
309 Al2- aluminum diatomic anion al2-  
310 Al2+ aluminum diatomic cation al2+  
311 BGa Boron Gallium bga  
312 AlGa Aluminum Gallium alga  
313 Ga2 Gallium diatomic ga2  
314 HBBH Diborane(2) hbbh  
315 LiBH4 Lithium borohydride libh4  
316 B2H4 Diborane(4) D2d b2h4  
317 HBHHBH Diborane(4) C2V hbhhbh  
318 B2H6 Diborane b2h6  
319 B2H6+ Diborane cation b2h6  
320 Al2H6 dialane al2h6  
321 Ga2H6 digallane ga2h6  
322 LiC Lithium Carbide lic  
323 BeC Beryllium Carbide bec  
324 CaC Calcium monocarbide cac  
325 BC boron monocarbide bc  
326 BC- boron monocarbide anion bc-  
327 BC+ boron monocarbide cation bc+  
328 BSi Boron silicide bsi  
329 C2 Carbon diatomic c2  
330 C2- carbon diatomic anion c2-  
331 C2+ carbon diatomic cation c2+  
332 SiC silicon monocarbide sic  
333 SiC- silicon monocarbide anion sic-  
334 SiC+ silicon monocarbide cation sic+  
335 Si2 Silicon diatomic si2  
336 Si2- silcon diatomic anion si2-  
337 Si2+ silcon diatomic cation si2+  
338 GeC Germanium monocarbide gec  
339 SiGe Silicon Germanium sige  
340 Ge2 Germanium diatomic ge2  
341 C2H Ethynyl radical c2h  
342 C2H- Ethynyl anion c2h-  
343 C2H+ Ethynyl cation c2h+  
344 ZnCH2 Zinc methylene znch2  
345 C2H2 Acetylene c2h2  
346 C2H2+ acetylene cation c2h2+  
347 CCH2 vinylidene vinylidene  
348 H2CC- vinylidene anion h2cc-  
349 HCCH- acetylene anion c2h2-  
350 Si2H2 disilyne si2h2  
351 CH3Li methyl lithium ch3li  
352 CuCH3 monomethyl copper cuch3  
353 ZnCH3 Zinc monomethyl znch3  
354 CH2BH methyleneborane ch2bh  
355 C2H3 vinyl c2h3  
356 C2H3- vinyl anion c2h3-  
357 C2H3+ vinyl cation c2h3+  
358 C2H4 Ethylene c2h4  
359 C2H4- Ethylene anion c2h4-  
360 C2H4+ Ethylene cation c2h4+  
361 CH3CH methylmethylene ch3ch  
362 CH2SiH2 silaethylene ch2sih2  
363 Si2H4 Disilene si2h4  
364 CH3BH2 methylborane ch3bh2  
365 C2H5 Ethyl radical c2h5  
366 C2H5- Ethyl anion c2h5-  
367 C2H5+ Ethyl cation c2h5+  
368 C2H6 Ethane c2h6  
369 C2H6+ ethane cation c2h6+  
370 CH3SiH3 methyl silane ch3sih3  
371 GeH3CH3 methyl germane geh3ch3  
372 C2H7+ Ethane, protonated c2h7+  
373 LiN Lithium Nitride lin  
374 LiN+ Lithium Nitride cation lin+  
375 LiP Lithium monophosphide lip  
376 BeN Beryllium mononitride ben  
377 BeN- Beryllium mononitride anion ben-  
378 BeN+ Beryllium mononitride cation ben+  
379 MgN Magnesium Nitride mgn  
380 BN- boron nitride anion bn-  
381 AlN- aluminum mononitride anion aln-  
382 AlN+ aluminum mononitride cation aln+  
383 BP Boron monophosphide bp  
384 AlP Aluminum monophosphide alp  
385 GaN Gallium mononitride gan  
386 GaP Gallium monophosphide gap  
387 GaAs Gallium arsenide gaas  
388 BN boron nitride bn  
389 BN+ boron nitride cation bn+  
390 AlN Aluminum nitride aln  
391 CN Cyano radical cn  
392 CN- cyanide anion cn-  
393 CN+ Cyano cation cn+  
394 CP Carbon monophosphide cp  
395 CP- carbon monophosphide anion cp-  
396 CP+ carbon monophosphide cation cp+  
397 SiN Silicon nitride sin  
398 SiN- silicon mononitride anion sin-  
399 SiN+ silicon mononitride cation sin+  
400 SiP- Silicon monophosphide anion sip-  
401 SiP+ Silicon monophosphide cation sip+  
402 TiN Titanium mononitride tin  
403 N2 Nitrogen diatomic n2  
404 N2- nitrogen diatomic anion n2-  
405 N2+ diatomic nitrogen cation n2+  
406 PN Phosphorus mononitride pn  
407 PN- phosphorus nitride anion pn-  
408 PN+ phosphorus nitride cation pn+  
409 P2 Phosphorus diatomic p2  
410 P2- phosphorus diatomic anion p2-  
411 P2+ phosphorus diatomic cation p2+  
412 AsN Arsenic mononitride asn  
413 AsP Arsenic monophosphide asp  
414 SbN Antimony nitride sbn  
415 As2 Arsenic diatomic as2  
416 HNB hydrogen nitrogen boron hnb  
417 HNC hydrogen isocyanide hnc  
418 HCN Hydrogen cyanide hcn  
419 HCN- Hydrogen cyanide anion hcn-  
420 HCN+ hydrogen cyanide cation hcn+  
421 HNC+ hydrogen isocyanide cation hnc+  
422 HCP Phosphaethyne hcp  
423 HCP+ Phosphaethyne cation hcp+  
424 NNH Dinitrogen monohydride nnh  
425 NNH+ Dinitrogen monohydride cation nnh+  
426 HPO Hydrogen phosphorus oxide hpo  
427 HPO+ Hydrogen phosphorus oxide cation hpo+  
428 LiNH2 lithium amide linh2  
429 HBNH Boranimine hbnh  
430 CNH2 Aminomethylidyne radical cnh2  
431 CNH2+ N-protonated hydrogen isocyanide cnh2+  
432 H2CN Dihydrogen cyanide radical h2cn  
433 H2CN+ hydrocyanonium cation h2cn+  
434 HCNH methyleneazane hcnh  
435 HCNH+ N-protonated HCN hcnh+  
436 H2NN Isodiazene h2nn  
437 N2H2 (E)-diazene n2h2  
438 N2H2 (Z)-Diazene n2h2z  
439 N2H2+ trans-diazene cation n2h2+  
440 CH2NH Methanimine ch3n  
441 CH2NH+ Methanimine cation ch2nh+  
442 CHNH2 aminomethylene chnh2  
443 CHNH2+ Aminocarbene cation chnh2+  
444 BH2NH2 Boranamine bh2nh2  
445 CH2NH2+ methyleneamine cation ch2nh2+  
446 N2H4 Hydrazine n2h4  
447 N2H4+ hydrazine cation n2h4+  
448 P2H4 Diphosphine p2h4  
449 CH3NH2 methyl amine ch3nh2  
450 CH3NH2+ methyl amine cation ch3nh2+  
451 CH3PH2 Methyl phosphine ch3ph2  
452 SiH3NH2 Silane, amino sih3nh2  
453 N2H5+ protonated hydrazine n2h5+  
454 BH3NH3 borane ammonia bh3nh3  
455 CH3NH3 methyl ammonium radical ch3nh3  
456 CH3NH3+ protonated methylamine ch3nh3+  
457 CH3PH3+ methyl phosphine, protonated ch3ph3+  
458 NH3NH3 Ammonia Dimer nh3nh3  
459 N2H7+ ammonia ammonium dimer n2h7+  
460 LiO lithium oxide lio  
461 LiO- lithium oxide anion lio-  
462 LiO+ lithium oxide cation lio+  
463 LiS+ Lithium sulfide cation lis+  
464 NaO sodium monoxide nao  
465 NaO- sodium oxide anion nao-  
466 NaO+ sodium oxide cation nao+  
467 KO Potassium monoxide ko  
468 KO+ Potassium monoxide cation ko+  
469 NaS Sodium sulfide nas  
470 CuO Copper Monoxide cuo  
471 LiSe Lithium monoselenide lise  
472 BeO beryllium oxide beo  
473 BeO- Beryllium monoxide anion beo-  
474 BeO+ Beryllium monoxide cation beo+  
475 BeS beryllium sulfide bes  
476 MgO magnesium oxide mgo  
477 MgO- magnesium oxide anion mgo-  
478 MgO+ magnesium oxide cation mgo+  
479 CaO Calcium monoxide cao  
480 MgS magnesium sulfide mgs  
481 MgS- magnesium sulfide anion mgs-  
482 MgS+ magnesium sulfide cation mgs+  
483 ZnO zinc monoxide zno  
484 ZnS Zinc sulfide zns  
485 BeS- Beryllium monosulfide anion bes-  
486 BeS+ Beryllium monosulfide cation bes+  
487 BO boron monoxide bo  
488 BO- boron monoxide anion bo-  
489 AlO Aluminum monoxide alo  
490 AlO- Aluminum monoxide anion alo-  
491 AlO+ aluminum monoxide cation alo+  
492 BS boron sulfide bs  
493 BS- boron monosulfide anion bs-  
494 BS+ boron monosulfide cation bs+  
495 AlS Aluminum sulfide als  
496 AlS- aluminum monosulfide anion als-  
497 AlS+ aluminum monosulfide cation als+  
498 ScO Scandium monoxide sco  
499 GaO Gallium monoxide gao  
500 GaS Gallium monosulfide gas  
501 BO+ boron monoxide cation bo+  
502 CO Carbon monoxide co  
503 CO- carbon monoxide anion co-  
504 CO+ carbon monoxide cation co+  
505 CS carbon monosulfide cs  
506 CS- carbon monosulfide anion cs-  
507 CS+ carbon monosulfide cation cs+  
508 SiO Silicon monoxide sio  
509 SiO- silicon monoxide anion sio-  
510 SiO+ silicon monoxide cation sio+  
511 SiS silicon monosulfide sis  
512 SiS- silicon monosulfide anion sis-  
513 SiS+ silicon monosulfide cation sis+  
514 TiO Titanium monoxide tio  
515 CSe Carbon monoselenide cse  
516 CSe- Carbon monoselenide anion cse-  
517 CSe+ Carbon monoselenide cation cse+  
518 GeO+ Germanium monoxide cation geo+  
519 GeS Germanium monosulfide ges  
520 SiSe+ Silicon Monoselenide cation sise+  
521 GeSe Germanium monoselenide gese  
522 NO Nitric oxide no  
523 NO- nitric oxide anion no-  
524 NO+ nitric oxide cation no+  
525 NS Mononitrogen monosulfide ns  
526 NS- nitrogen sulfide anion ns-  
527 NS+ nitrogen sulfide cation ns+  
528 PO- phosphorus monoxide anion po-  
529 PO+ phosphorus monoxide cation po+  
530 PS- phosphorus monosulfide anion ps-  
531 PS+ phosphorus monosulfide cation ps+  
532 VO Vanadium monoxide vo  
533 AsO Arsenic monoxide aso  
534 NSe Nitrogen monoselenide nse  
535 AsS Arsenic monosulfide ass  
536 PSe Phosphorus monoselenide pse  
537 AsSe Arsenic monoselenide asse  
538 O2 Oxygen diatomic o2  
539 O2- oxygen diatomic anion o2-  
540 O2-- dioxygen dianion o2--  
541 O2+ diatomic oxygen cation o2+  
542 SO- sulfur monoxide anion so-  
543 SO+ sulfur monoxide cation so+  
544 S2- sulfur diatomic anion s2-  
545 S2+ sulfur diatomic cation s2+  
546 SeO Selenium monoxide seo  
547 SeO- selenium monoxide anion seo-  
548 SeO+ selenium monoxide cation seo+  
549 SeS Selenium monosulfide ses  
550 SeS- selenium monosulfide anion ses-  
551 SeS+ selenium monosulfide cation ses+  
552 TeO Tellurium monoxide teo  
553 Se2- selenium diatomic anion se2-  
554 Se2+ selenium diatomic cation se2+  
555 Te2 Tellurium diatomic te2  
556 LiOH lithium hydroxide lioh  
557 NaOH sodium hydroxide naoh  
558 KOH Potassium hydroxide koh  
559 BeOH beryllium monohydroxide beoh  
560 MgOH magnesium hydroxide mgoh  
561 CaOH Calcium monohydroxide caoh  
562 HBO Boron hydride oxide hbo  
563 HBS hydrogen boron sulfide hbs  
564 COH Hydroxymethylidyne coh  
565 COH+ Carbon Monoxide, protonated coh+  
566 HCO Formyl radical hco  
567 HCO- formyl anion hco-  
568 HCO+ Formyl cation hco+  
569 HCS Thioformyl radical hcs  
570 HCS- Thioformyl anion hcs-  
571 HCS+ Thioformyl cation hcs+  
572 HNO Nitrosyl hydride hno  
573 HNO- Nitrosyl hydride anion hno-  
574 HNO+ Nitrosyl hydride cation hno+  
575 NOH Hydroxyimidogen noh  
576 NOH+ O-protonated nitric oxide noh+  
577 HNS Sulfur imide hns  
578 HNS- Sulfur imide anion hns-  
579 HO2 Hydroperoxy radical ho2  
580 HO2- Hydroperoxy anion ho2-  
581 HO2+ Hydroperoxy cation ho2+  
582 HS2 Thiosulfeno radical hs2  
583 H2CO Formaldehyde h2co  
584 H2CO- formaldehyde anion h2co-  
585 H2CO+ formaldehyde cation h2co+  
586 HOCH hydroxycarbene hoch  
587 H2CS- thioformaldehyde anion h2cs-  
588 H2CS+ thioformaldehyde cation h2cs+  
589 H2NO nitroxide h2no  
590 H2O2 Hydrogen peroxide h2o2  
591 H2O2+ Hydrogen peroxide cation h2o2+  
592 H2OO water oxide h2oo  
593 HOSH hydrogen thioperoxide hosh  
594 H2Se2 hydrogen diselenide h2se2  
595 CH2OH Hydroxymethyl radical ch2oh  
596 CH2OH+ hydroxymethyl cation ch2oh+  
597 CH3O Methoxy radical ch3o  
598 CH3O- methoxy anion ch3o-  
599 CH3O+ Methoxy cation ch3o+  
600 CH3S thiomethoxy ch3s  
601 NH2OH hydroxylamine nh2oh  
602 NH2OH+ Hydroxylamine cation nh2oh+  
603 NH3O Ammonia Oxide nh3o  
604 NH2SH Thiohydroxylamine nh2sh  
605 NH3S sulfidoazane nh3s  
606 H3O2+ hydrogen peroxide, protonated h3o2+  
607 CH3OH Methyl alcohol ch3oh  
608 CH3OH- Methyl alcohol anion ch3oh-  
609 CH3OH+ Methyl alcohol cation ch3oh+  
610 CH3SH+ Methanethiol cation ch3sh+  
611 SiH3OH silanol sih3oh  
612 CH3SeH Methane selenol ch3seh  
613 NH2OH2+ protonated hydroxylamine nh2oh2+  
614 NH3OH+ N-protonated hydroxylamine nh3oh+  
615 H2OH2O water dimer h2oh2o  
616 CH3OH2+ Methanol, protonated ch3oh2+  
617 H2ONH3 Water Ammonia Dimer h2onh3  
618 H5O2+ Dihydroxonium ion h5o2+  
619 LiF lithium fluoride lif  
620 LiCl- lithium chloride anion licl-  
621 LiCl+ lithium chloride cation licl+  
622 NaF sodium fluoride naf  
623 NaF- sodium fluoride anion naf-  
624 NaF+ sodium fluoride cation naf+  
625 KF Potassium Fluoride kf  
626 NaCl Sodium Chloride nacl  
627 NaCl- sodium chloride anion nacl-  
628 NaCl+ sodium chloride cation nacl+  
629 KCl Potassium Chloride kcl  
630 CuF Copper monofluoride cuf  
631 LiBr Lithium Bromide libr  
632 LiBr- lithium bromide anion libr-  
633 LiBr+ lithium bromide cation libr+  
634 CuCl Copper monochloride cucl  
635 NaBr Sodium Bromide nabr  
636 NaBr- sodium bromide anion nabr-  
637 NaBr+ sodium bromide cation nabr+  
638 KBr Potassium Bromide kbr  
639 LiI Lithium Iodide lii  
640 NaI Sodium Iodide nai  
641 KI Potassium Iodide ki  
642 LiF- lithium fluoride anion lif-  
643 LiF+ lithium fluoride cation lif+  
644 BeF Beryllium monofluoride bef  
645 BeF- Beryllium monofluoride anion bef-  
646 BeF+ Beryllium monofluoride cation bef+  
647 BeCl beryllium monochloride becl  
648 MgF Magnesium monofluoride mgf  
649 MgF- magnesium fluoride anion mgf-  
650 MgF+ magnesium fluoride cation mgf+  
651 CaF Calcium monofluoride caf  
652 MgCl magnesium monochloride mgcl  
653 MgCl- magnesium monochloride anion mgcl-  
654 MgCl+ magnesium monochloride cation mgcl+  
655 CaCl calcium monochloride cacl  
656 TiCl Titanium Monochloride ticl  
657 ZnF Zinc monofluoride znf  
658 ZnF- Zinc monofluoride anion znf-  
659 ZnF+ Zinc monofluoride cation znf+  
660 ZnCl Zinc monochloride zncl  
661 CaBr Calcium monobromide cabr  
662 BeCl- beryllium monochloride anion becl-  
663 BeCl+ beryllium monochloride cation becl+  
664 BF Boron monofluoride bf  
665 BF- Boron monofluoride anion bf-  
666 BF+ Boron monofluoride cation bf+  
667 AlF Aluminum monofluoride alf  
668 AlF- Aluminum monofluoride anion alf-  
669 AlF+ Aluminum monofluoride cation alf+  
670 BCl boron monochloride bcl  
671 BCl- boron monochloride anion bcl-  
672 BCl+ boron monochloride cation bcl+  
673 AlCl- aluminum monochloride anion alcl-  
674 AlCl+ aluminum monochloride cation alcl+  
675 ScF Scandium monofluoride scf  
676 BBr Boron monobromide bbr  
677 GaF Gallium monofluoride gaf  
678 GaF+ Gallium monofluoride cation gaf+  
679 AlBr Aluminum monobromide albr  
680 GaCl Gallium monochloride gacl  
681 GaCl+ Gallium monochloride cation gacl+  
682 AlI Aluminum monoiodide ali  
683 GaBr Gallium monobromide gabr  
684 CF Fluoromethylidyne cf  
685 CF- carbon monofluoride anion cf-  
686 CF+ carbon monofluoride cation cf+  
687 CCl carbon monochloride ccl  
688 CCl- carbon monochloride anion ccl-  
689 CCl+ carbon monochloride cation ccl+  
690 SiF- silicon monofluoride anion sif-  
691 SiCl Clorosilylidyne sicl  
692 SiCl- silicon monochloride anion sicl-  
693 SiCl+ silicon monochloride cation sicl+  
694 CBr Carbon monobromide cbr  
695 GeF Germanium monofluoride gef  
696 GeF+ Germanium monofluoride cation gef+  
697 GeCl Germanium monochloride gecl  
698 GeCl+ Germanium monochloride cation gecl+  
699 SiBr Silicon monobromide sibr  
700 SiBr+ Silicon monobromide cation sibr+  
701 NF nitrogen fluoride nf  
702 NF- nitrogen monofluorine anion nf-  
703 NF+ nitrogen monofluoirde cation nf+  
704 NCl- nitrogen monochloride anion ncl-  
705 NCl+ nitrogen monochloride cation ncl+  
706 PF phosphorus monofluoride pf  
707 PF- phosphorus monofluoride anion pf-  
708 PF+ phosphorus monofluoride cation pf+  
709 PCl phosphorus chloride pcl  
710 PCl- phosphorus monochloride anion pcl-  
711 PCl+ phosphorus monochloride cation pcl+  
712 AsF Arsenic monofluoride asf  
713 NBr nitrogen monobromide nbr  
714 AsCl Arsenic monochloride ascl  
715 PBr Phosphorus monobromide pbr  
716 SbF Antimony monofluoride sbf  
717 SbCl Antimony monochloride sbcl  
718 FO Oxygen monofluoride fo  
719 FO- flourine oxide anion fo-  
720 FO+ fluorine monoxide cation fo+  
721 ClO- chlorine monoxide anion clo-  
722 ClO+ chlorine monoxide cation clo+  
723 SF- sulfur monofluoride anion sf-  
724 SCl- sulfur monochloride anion scl-  
725 BrO Bromine monoxide bro  
726 BrO- Bromine monoxide anion bro-  
727 BrO+ Bromine monoxide cation bro+  
728 SeF Selenium monofluoride sef  
729 SBr+ Sulfur monobromide cation sbr+  
730 SeCl Selenium monochloride secl  
731 IO Iodine monoxide io  
732 SeBr Selenium monobromide sebr  
733 BrCl Bromine monochloride brcl  
734 F2 Fluorine diatomic f2  
735 F2- flourine diatomic anion f2-  
736 F2+ flourine diatomic cation f2+  
737 ClF Chlorine monofluoride clf  
738 ClF- clorine monofluoride anion clf-  
739 ClF+ clorine monofluoride cation clf+  
740 Cl2 Chlorine diatomic cl2  
741 BrF Bromine monofluoride brf  
742 BrF- bromine fluoride anion brf-  
743 BrF+ bromine fluoride cation brf+  
744 BrCl- bromine chloride anion brcl-  
745 BrCl+ bromine chloride cation brcl+  
746 IF Iodine monofluoride if  
747 Br2 Bromine diatomic br2  
748 Br2- bromine diatomic anion br2-  
749 Br2+ bromine diatomic cation br2+  
750 ICl Iodine monochloride icl  
751 IBr Iodine monobromide ibr  
752 I2 Iodine diatomic i2  
753 I2+ Iodine diatomic cation i2+  
754 HCF Fluoromethylene hcf  
755 HCCl Chloromethylene hccl  
756 HSiF fluorosilylene hsif  
757 HSiCl Chlorosilylene hsicl  
758 HSiBr monobromosilylene hsibr  
759 CHBr bromomethylene chbr  
760 HOF Hypofluorous acid hfo  
761 DOCl Hypochlorous acid-d docl  
762 HOCl hypochlorous acid hocl  
763 HOCl+ hypochlorous acid cation hocl+  
764 HOBr Hypobromous acid hobr  
765 HOBr+ Hypobromous acid cation hobr+  
766 HOI Hypoiodous acid hoi  
767 F2H+ Fluorine, protonated f2h+  
768 FHF Hydrogen difluoride fhf  
769 FHF- Hydrogen difluoride anion fhf-  
770 ClFH+ Chlorine fluoride, F-protonated clfh+  
771 FClH+ Chlorine fluoride, Cl-protonated fclh+  
772 Cl2H+ Chlorine, protonated cl2h+  
773 CH2Br bromomethyl radical ch2br  
774 CH2F fluoromethyl radical ch2f  
775 CH2F+ fluoromethyl cation ch2f+  
776 CH2Cl+ chloromethyl cation ch2cl+  
777 CH2Cl chloromethyl radical ch2cl  
778 NH2F monofluoroamine nh2f  
779 NH2Cl chloramine nh2cl  
780 H2F2 Hydrogen fluoride dimer h2f2  
781 CH3F+ methyl fluoride cation ch3f+  
782 CD3F methylfluoride-d3 cd3f  
783 CH3F Methyl fluoride ch3f  
784 CD3Cl methyl chloride d3 cd3cl  
785 CH3Cl+ Methyl chloride cation ch3cl+  
786 SiH3F monofluorosilane sih3f  
787 CH3Br methyl bromide ch3br  
788 GeH3F monofluorogermane geh3f  
789 GeH3Cl monochlorogermane geh3cl  
790 SiH3Br bromosilane sih3br  
791 CH3I methyl iodide ch3i  
792 SiH3I Silyl Iodide sih3i  
793 NH3Cl+ protonated monochloroammonia nh3cl+  
794 CH3ClH+ methyl chloride, protonated ch3clh+  
795 NH4Cl Ammonium chloride nh4cl  
796 LiNe+ Lithium Neon cation line+  
797 Ne2 Neon diatomic ne2  
798 Ne2+ Neon diatomic cation ne2+  
799 Ar2 Argon diatomic ar2  
800 Ar2+ Argon diatomic cation ar2+  
801 Li3 Lithium trimer li3  
802 Li3+ Lithium trimer cation li3+  
803 C3 carbon trimer c3  
804 C3+ carbon trimer cation c3+  
805 SiC2 Silicon dicarbide sic2  
806 C3H3 cyclopropenyl radical cpr  
807 C3H3 Propargyl radical propargyl  
808 C3H3- Propargyl anion c3h3-  
809 C3H3+ cyclopropenyl cation cpr+  
810 C3H3+ Propargyl cation c3h3+  
811 C3H4 cyclopropene cprop  
812 CH2CCH2 allene allene  
813 CH3CCH propyne propyne  
814 C3H5 Allyl radical allyl  
815 C3H5+ Allyl cation allyl+  
816 CH3CHCH 1-propenyl radical ch3chch  
817 Zn(CH3)2 dimethyl zinc dmz  
818 C3H6 Cyclopropane c3h6  
819 CH2CHCH3 Propene propene  
820 C3H7 n-Propyl radical npropyl  
821 C3H7+ cyclopropane, protonated c3h7+  
822 CH3CHCH3 Isopropyl radical isopropyl  
823 CH3CHCH3+ Isopropyl cation prop2yl+  
824 C3H8 Propane propane  
825 SiH2(CH3)2 dimethylsilane dms  
826 LiCN lithium cyanide licn  
827 NaCN Sodium Cyanide nacn  
828 KCN Potassium cyanide kcn  
829 CuCN Copper cyanide cucn  
830 ZnCN Zinc monocyanide zncn  
831 ZnNC Zinc isocyanide znnc  
832 AlCN Aluminum monocyanide alcn  
833 AlNC Aluminum isocyanide alnc  
834 CN2 3H-Diazirin-3-ylidene cn2  
835 CNN Diazocarbene cnn  
836 NCN Cyanoimidogen ncn  
837 N3 azide radical n3  
838 N3- azide anion n3-  
839 N3+ azide cation n3+  
840 HCCN cyanomethylene hccn  
841 HCNN diazomethyl radical hcnn  
842 HN3 hydrogen azide hn3  
843 HN3+ Hydrazoic acid cation hn3+  
844 HNCNH diiminomethane hncnh  
845 CH2N2 diazirine ch2n2  
846 CH2NN diazomethane ch2nn  
847 NH2CN cyanamide cyanamide  
848 HNNNH+ 1,2-Triazadienium n2h3+  
849 NH2NN+ hydrazoic acid, protonated nh2nn+  
850 CH3CN Acetonitrile ch3cn  
851 CH3CN- acetonitrile anion ch3cn-  
852 CH3CN+ Acetonitrile cation ch3cn+  
853 CH3NC methyl isocyanide ch3nc  
854 CHNCH2 2H-Azirine c157164  
855 CHNHCH 1H-Azirine chnhch  
856 H2CCNH Ethenimine ch2cnh  
857 H2CNCH methyleneaminomethylene ch2nch  
858 HCCNH2 Ethynamine hccnh2  
859 HCNCH2+ 2H-Azirine cation hcnch2+  
860 HNCNH2+ diiminomethane, protonated hncnh2+  
861 NCNH3+ Cyanamide, protonated ncnh3+  
862 NH2CNH+ cyanamide, cn protonated nh2cnh+  
863 NH3CN+ cyanamide, amine protonated nh3cn+  
864 CH2CHNH vinylazine ch2chnh  
865 CH3CHN methylmethaniminyl radical ch3chn  
866 NHCHNH2 aminomethanimine cn2h4  
867 C2H5N Aziridine c2h5n  
868 CH2CHNH2 aminoethene aminoethene  
869 CH2NCH3 N-methylmethanimine nmm  
870 CH3CHNH ethanimine ethanimine  
871 NH2BHNH2 diaminoborane nh2bhnh2  
872 C2H5NH+ Protonated Aziridine c2h5nh+  
873 C2H6N+ aziridine, protonated c2h6n+  
874 NH2CH2NH2 diaminomethane nh2ch2nh2  
875 CH3CH2NH2 Ethylamine etam  
876 CH3NHCH3 Dimethylamine ch3nhch3  
877 CH3PHCH3 dimethylphosphine ch3phch3  
878 NH2CH2NH3+ diaminoethane, protonated pdam  
879 (CH3)2NH2+ dimethylammonium cation dmam  
880 CH3CH2NH3+ ethylamine, protonated pea  
881 Li2O dilithium oxide li2o  
882 Li2O+ dilithium oxide cation li2o+  
883 Na2O disodium monoxide na2o  
884 Na2S Sodium sulfide na2s  
885 LiO2 Lithium dioxide lio2  
886 NaO2 Sodium superoxide nao2  
887 CCO Dicarbon monoxide cco  
888 CNO- fulminate cno-  
889 NCO isocyanato radical nco  
890 NCO- cyanate nco-  
891 SCN thiocyanato radical scn  
892 SCN- thiocyanide anion scn-  
893 BO2 Boron dioxide bo2  
894 BO2- Boron dioxide anion bo2-  
895 BO2+ Boron dioxide cation bo2+  
896 N2O Nitrous oxide n2o  
897 N2O- Nitrous oxide anion n2o-  
898 N2O+ Nitrous oxide cation n2o+  
899 PPO Phosphorus oxide phosphide ppo  
900 CO2 Carbon dioxide co2  
901 CO2- Carbon dioxide anion co2-  
902 CO2+ Carbon dioxide cation co2+  
903 OCS+ Carbonyl sulfide cation cos+  
904 SiO2 silicon dioxide sio2  
905 CS2 Carbon disulfide cs2  
906 CS2- Carbon disulfide anion cs2-  
907 CS2+ Carbon disulfide cation cs2+  
908 TiO2 Titanium dioxide tio2  
909 GeO2 Germanium dioxide geo2  
910 OCSe Carbonyl selenide ocse  
911 SCSe Carbon sulfide selenide scse  
912 GeS2 Germanium disulfide ges2  
913 CSe2 Carbon diselenide cse2  
914 SCTe Carbon sulfide Telluride scte  
915 NO2 Nitrogen dioxide no2  
916 NO2- Nitrogen dioxide anion no2-  
917 NO2+ Nitrogen dioxide cation no2+  
918 PO2 Phosphorus dioxide po2  
919 PO2- Phosphorus dioxide anion po2-  
920 PO2+ Phosphorus dioxide cation po2+  
921 AsO2 Aresenic dioxide aso2  
922 O3 Ozone o3  
923 O3- Ozone anion o3-  
924 O3+ Ozone cation o3+  
925 SO2- Sulfur dioxide anion so2-  
926 SO2+ Sulfur dioxide cation so2+  
927 SSO Disulfur monoxide sso  
928 S3- Sulfur trimer anion s3-  
929 SeO2 Selenium dioxide seo2  
930 SeO2+ Selenium dioxide cation seo2+  
931 TeO2 Tellurium Dioxide teo2  
932 HCCO ketenyl radical ketenyl  
933 CS2H+ Carbon disulfide, protonated cs2h+  
934 HCNO fulminic acid hcno  
935 HNCO Isocyanic acid hnco  
936 HOCN cyanic acid hocn  
937 HNCS Isothiocyanic acid hncs  
938 HSCN thiocyanic acid hscn  
939 HCO2- formate anion hco2-  
940 HNNO nitrosoazane hnno  
941 HNNO+ Nitrous oxide, N-protonated hnno+  
942 NNOH+ Nitrous Oxide, O-protonated nnoh+  
943 HCOO formate neutral radical hcoo  
944 HOCO Hydrocarboxyl radical hoco  
945 HOCO+ Hydrocarboxyl cation hoco+  
946 HNO2 Nitrous acid hno2  
947 HNO2+ nitrous acid cation hno2+  
948 O3H+ protonated ozone o3h+  
949 SO2H+ protonated sulfur dioxide so2h+  
950 C2H2O Oxirene oxirene  
951 CH2CO Ketene ch2co  
952 CH2CO+ Ketene cation ch2co+  
953 HCCOH ethynol hccoh  
954 Be(OH)2 Beryllium hydroxide beo2h2  
955 Mg(OH)2 Magnesium dihydroxide h2mgo2  
956 NH2NO Nitrosamide nh2no  
957 CH2O2 Dioxirane diox  
958 H2COO Dioxymethyl radical h2coo  
959 H2COO+ dioxymethyl cation h2coo+  
960 HCOOH Formic acid ch2o2  
961 H2O3 Hydrogen trioxide h2o3  
962 HSSSH trisulfane hsssh  
963 NaOCH3 Sodium methoxide naoch3  
964 CH2BOH hydroxy(methylene)borane ch2boh  
965 BH3CO Borane carbonyl bh3co  
966 CH3BO Borane, methyloxo- ch3bo  
967 CH2CHO Vinyloxy radical ch2cho  
968 CH2COH+ ketene, protonated ch2coh+  
969 CH3CO Acetyl radical ch3co  
970 CH3CO- Acetyl anion ch3co-  
971 CH3CO+ acetyl cation ch3co+  
972 CH2NOH formaldoxime ch2noh  
973 CH3NO nitrosomethane ch3no  
974 CHONH2 formamide formamide  
975 CNOH3 1,2-oxaziridine cnoh3  
976 HOCHNH hydroxymethylimine hochnh  
977 CHSNH2 thioformamide chsnh2  
978 NHCHSH Methanimidothioic acid nhchsh  
979 CH2OOH CH2OOH radical ch2ooh  
980 CH3OO methylperoxy radical ch3oo  
981 CH3OO- methylperoxy anion ch3oo-  
982 CH3OO+ methylperoxy cation ch3oo+  
983 C2H4O Ethylene oxide c2h4o  
984 C2H4O+ ethylene oxide cation c2h4o+  
985 CH2CHOH ethenol ch2choh  
986 CH3CHO Acetaldehyde ch3cho  
987 CH3CHO+ acetaldehyde cation ch3cho+  
988 H2COCH2+ Methyl, (methyleneoxoniumyl)- h2coch2+  
989 CH2CHSH Ethenethiol ch2chsh  
990 H2CONH2+ protonated formamide h2conh2+  
991 NH2CHOH+ Formamide, O-protonated nh2choh+  
992 NH3CHO+ Formamide, N-Protonated nh3cho+  
993 CH2(OH)2 methanediol ch2o2h2  
994 CH3OOH Methyl peroxide ch3ooh  
995 HSCH2SH Methanedithiol ch4s2  
996 H2OH2CO water formaldehyde dimer h2oh2co  
997 C2H4OH+ ethylene oxide, protonated c2h4oh+  
998 CH2CH2OH 2-hydroxy ethyl radical ch2ch2oh  
999 CH3CH2O Ethoxy radical ethoxy  
1000 CH3CHOH 1-hydroxy-ethyl radical ch3choh  
1001 CH3CHOH+ acetaldehyde, protonated ch3choh+  
1002 CH3OCH2 methoxymethyl radical ch3och2  
1003 NH2CH2OH aminomethanol nh2ch2oh  
1004 CH3CH2OH Ethanol etoh  
1005 CH3OCH3 Dimethyl ether meome  
1006 CH3SCH3 Dimethyl sulfide mesme  
1007 CH3SCH3+ dimethyl sulfide cation mesme+  
1008 CH3SeCH3 dimethylselenide dmse  
1009 CH3OHH2O methanol water dimer ch3ohh2o  
1010 H2OCH3OH water methanol dimer h2och3oh  
1011 CuF2 Copper difluoride cuf2  
1012 ZnF2 Zinc difluoride znf2  
1013 CNF iso cyanogen fluoride cnf  
1014 FCN Cyanogen fluoride fcn  
1015 ClCN chlorocyanogen clcn  
1016 BrCN Cyanogen bromide brcn  
1017 ICN Cyanogen iodide icn  
1018 FBO Boron monofluoride monoxide fbo  
1019 BeF2 Beryllium fluoride bef2  
1020 MgF2 Magnesium fluoride mgf2  
1021 BeCl2 Beryllium chloride becl2  
1022 MgCl2 Magnesium dichloride mgcl2  
1023 CaCl2 Calcium Chloride cacl2  
1024 ZnCl2 Zinc dichloride zncl2  
1025 BeBr2 Beryllium bromide bebr2  
1026 CaBr2 Calcium dibromide cabr2  
1027 CaF2 Calcium difluoride caf2  
1028 FCO Carbonyl fluoride fco  
1029 FCO+ Carbonyl fluoride cation fco+  
1030 ClCO carbonyl monochloride clco  
1031 BF2 Boron difluoride radical bf2  
1032 FNO Nitrosyl fluoride fno  
1033 ClNO Nitrosyl chloride clno  
1034 BrNO Nitrosyl bromide brno  
1035 INO Nitrosyl iodide ino  
1036 CF2 Difluoromethylene cf2  
1037 CF2- Difluoromethylene anion cf2-  
1038 CF2+ Difluoromethylene cation cf2+  
1039 CFCl chlorofluoromethylene cfcl  
1040 SiF2 Silicon difluoride sif2  
1041 SiF2+ Silicon difluoride cation sif2+  
1042 CCl2 dichloromethylene ccl2  
1043 CCl2- dichloromethylene anion ccl2-  
1044 CCl2+ dichloromethylene cation ccl2+  
1045 SiCl2 Dichlorosilylene sicl2  
1046 GeF2 Germanium difluoride gef2  
1047 CBr2 dibromomethylene cbr2  
1048 FOO Dioxygen monofluoride radical foo  
1049 FOO+ Fluorine dioxide cation foo+  
1050 ClOO chloroperoxy radical cloo  
1051 ClOO+ chloroperoxy cation cloo+  
1052 OClO- Chlorine dioxide anion oclo-  
1053 OClO+ Chlorine dioxide cation oclo+  
1054 ClS2 Sulfur chloride cls2  
1055 BrOO Bromine dioxide broo  
1056 OBrO Bromine dioxide radical obro  
1057 NF2 Difluoroamino radical nf2  
1058 NF2+ Difluoroamino cation nf2+  
1059 PF2 Phosphorus difluoride pf2  
1060 PF2+ Phosphorus difluoride cation pf2+  
1061 F2O Difluorine monoxide f2o  
1062 SF2- sulfur difluoride anion sf2-  
1063 SF2+ sulfur difluoride cation sf2+  
1064 Cl2O Dichlorine monoxide cl2o  
1065 SeF2 Selenium difluoride sef2  
1066 BrOCl Bromine hypochlorite brocl  
1067 BrOBr Bromine oxide brobr  
1068 F3- trifluoride anion f3-  
1069 Cl3- trichloride anion cl3-  
1070 Br3- tribromide anion br3-  
1071 I3- triiodide i3-  
1072 SFCl Sulfur chloride fluoride sfcl  
1073 HCCF Fluoroacetylene hccf  
1074 HCCF+ fluoroacetylene cation hccf+  
1075 HCCCl Chloroacetylene hcccl  
1076 HCCBr bromoacetylene hccbr  
1077 HFCO formyl fluoride hfco  
1078 HFCO+ formyl fluoride cation hfco+  
1079 COHCl Formyl chloride cohcl  
1080 COHBr Formyl bromide cohbr  
1081 BHF2 Difluoroborane bhf2  
1082 BHCl2 Borane, dichloro- bhcl2  
1083 CHCl2 dichloromethyl radical chcl2  
1084 CHF2 difluoromethyl radical chf2  
1085 CHF2+ difluoromethyl cation chf2+  
1086 CHFCl Chlorofluoromethyl radical chfcl  
1087 CHFCl+ Chlorofluoromethyl cation chfcl+  
1088 CHCl2+ dichloromethyl cation chcl2+  
1089 CHBr2 dibromomethyl radical chbr2  
1090 HOClO Chlorous acid hoclo  
1091 NHF2 difluoramine nhf2  
1092 NHCl2 dichloroamine nhcl2  
1093 CH2FCl fluorochloromethane ch2fcl  
1094 SiH2F2 difluorosilane sih2f2  
1095 CH2BrF Methane, bromofluoro- ch2fbr  
1096 CH2BrCl Methane, bromochloro- ch2clbr  
1097 CH2FI fluoroiodomethane ch2fi  
1098 CH2Br2 dibromomethane ch2br2  
1099 CH2ClI chloroiodomethane ch2cli  
1100 CH2BrI bromoiodomethane ch2bri  
1101 CH2I2 Diiodomethane ch2i2  
1102 CH3MgBr Methyl Magnesium Bromide ch3mgbr  
1103 CH2CHF Ethene, fluoro- ch2chf  
1104 CH2CHF+ fluoroethene cation ch2chf+  
1105 C2H3Cl Ethene, chloro- ch2chcl  
1106 C2H3Br vinyl bromide c2h3br  
1107 C2H3I Vinyl iodide c2h3i  
1108 CH2FOH fluoromethanol ch2foh  
1109 CH3OCl methyl hypochlorite ch3ocl  
1110 CH2CH2Cl 2-chloroethyl radical ch2ch2cl  
1111 CHClCH3 1-chloroethyl radical chclch3  
1112 C2H5F fluoroethane c2h5f  
1113 CH3CH2Cl Ethyl chloride c2h5cl  
1114 CH3SiFH2 fluoromethylsilane ch3sifh2  
1115 C2H5Br Ethyl bromide etbr  
1116 C2H5I Ethyl iodide c2h5i  
1117 KrF2 Krypton difluoride krf2  
1118 XeF2 Xenon difluoride xef2  
1119 B4H10 Tetraborane(10) b4h10  
1120 C4 Carbon tetramer c4  
1121 C4+ Carbon tetramer cation c4+  
1122 C4H2 Diacetylene c4h2  
1123 C4H2+ diacetlyene cation c4h2+  
1124 C2H3CCH 1-Buten-3-yne c2h3cch  
1125 C4H4 cyclobutadiene cbd  
1126 C4H4 Tetrahedrane c4h4  
1127 H2CCCCH2 Butatriene h2cccch2  
1128 C4H6 1-Methylcyclopropene c3100047  
1129 C4H6 Cyclobutene c822355  
1130 C4H6 Methylenecyclopropane c6142730  
1131 CH2CCHCH3 1,2-Butadiene butad12  
1132 CH2CHCHCH2 1,3-Butadiene c106990  
1133 CH3CCCH3 2-Butyne c503173  
1134 CHCCH2CH3 1-Butyne c107006  
1135 CH3CHCHCH2 methylallyl radical c4h7  
1136 C4H8 methylcyclopropane mcp  
1137 CH2C(CH3)CH3 1-Propene, 2-methyl- isobute  
1138 CH2CHCH2CH3 1-Butene bute1  
1139 CH3CHCHCH3 2-Butene, (E)- bute2e  
1140 CH3CHCHCH3 2-Butene, (Z)- bute2z  
1141 B(CH3)3 trimethylborane bme3  
1142 Al(CH3)3 trimethyl aluminum tma  
1143 C(CH3)3 Tert-butyl radical tbutyl  
1144 CH2CH(CH3)2 Isobutyl radical isobutyl  
1145 CH3CHCH2CH3 2-Butyl radical butyl2  
1146 CH3CH(CH3)CH3 Isobutane isobutane  
1147 CH3CH2CH2CH3 Butane butane  
1148 SiH(CH3)3 trimethylsilane trimsi  
1149 Li3N trilithium nitride li3n  
1150 C2N2 Cyanogen c2n2  
1151 C2N2+ Cyanogen cation c2n2+  
1152 P4 Phosphorus tetramer p4  
1153 As4 Arsenic tetramer as4  
1154 HCCCN Cyanoacetylene hcccn  
1155 HCCCN+ Cyanoacetylene cation hcccn+  
1156 H2CNCN cyanamide, methylene ch2ncn  
1157 HNCCNH Ethenediimine hnccnh  
1158 C3H3N acrylonitrile ch2chcn  
1159 C3H3N+ acrylonitrile cation ch2chcn+  
1160 CH3N3 methyl azide ch3n3  
1161 NH2CCNH2 Diaminoacetylene daa  
1162 NH2CH2CN Aminoacetonitrile aan  
1163 CH3NHN2+ methyl azide, protonated ch3nhn2+  
1164 C2H5CN ethyl cyanide c2h5cn  
1165 CH5N3 Guanidine guanidine  
1166 C4H6 Bicyclo[1.1.0]butane c157335  
1167 CH3NNCH3 (Z)-1,2-Dimethyldiazene dmdiazz  
1168 H2NCHCHNH2 diaminoethylene dae  
1169 CH6N3+ guanidinium ch6n3+  
1170 C3H7N Cyclopropylamine cpram  
1171 CH7N3 triaminomethane tam  
1172 C3H7N Azetidine azet  
1173 C4H8 cyclobutane cbutane  
1174 C2H8N2 Ethylenediamine ethdiam  
1175 CH3NHNHCH3 dimethyl hydrazine dmh  
1176 CH3CH(NH2)CH3 2-Propanamine pram2  
1177 N(CH3)3 Trimethylamine trimeam  
1178 NH2CH2CH2CH3 1-Propanamine pram1  
1179 P(CH3)3 trimethylphosphine tmp  
1180 N(SiH3)3 trisilylamine tsa  
1181 As(CH3)3 trimethyl arsine tmas  
1182 (CH3)3NH+ protonated trimethyl amine ptma  
1183 C3H7NH3+ n-propylamine, protonated c3h7nh2  
1184 Li2O2 dilithium dioxide li2o2  
1185 Na2O2 disodium dioxide na2o2  
1186 K2O2 dipotassium dioxide k2o2  
1187 C3O Tricarbon monoxide c3o  
1188 B2O2 Diboron dioxide b2o2  
1189 ONNO NO dimer onno  
1190 CO3 Carbon trioxide co3  
1191 CO3-- carbonate co3--  
1192 NO3 Nitrogen trioxide no3  
1193 NO3- nitrate anion no3-  
1194 NO3+ nitrogen trioxide cation no3+  
1195 SO3- Sulfur trioxide anion so3-  
1196 SO3-- Sulfate dianion so3--  
1197 SO3+ Sulfur trioxide cation so3+  
1198 SeO3 selenium trioxide seo3  
1199 TeO3 Tellurium trioxide teo3  
1200 HCO3- bicarbonate anion hco3-  
1201 HNO3 Nitric acid hno3  
1202 HSO3 Hydroxysulfonyl radical hso3  
1203 NH2NO2 nitramide nh2no2  
1204 C2H2CO cyclopropenone c2h2co  
1205 C3H2O Propadienal c3h2o  
1206 HCCCHO 2-propynal hcccho  
1207 C2H2O2 Ethanedial c2h2o2  
1208 C2H2O2+ Ethanedial cation c2h2o2+  
1209 H2CO3 Carbonic acid h2co3  
1210 H2CS3 thiocarbonic acid h2cs3  
1211 H2NO3+ Nitric Acid, Protonated h2no3+  
1212 H2SO3 Sulfurous acid h2so3  
1213 C2H3NO Nitrosoethylene c2h3no  
1214 CH3NCO methylisocyante ch3nco  
1215 HOCH2CN cyanomethanol hoch2cn  
1216 CH3COO- acetate anion ch3coo-  
1217 CH3NO2 Methane, nitro- ch3no2  
1218 CH3ONO Methyl nitrite ch3ono  
1219 NH2COOH Carbamic acid nh2cooh  
1220 H3BO3 Boric acid h3bo3  
1221 H3CO3+ carbonic acid, protonated h3co3+  
1222 C3H4O 2-Propyn-1-ol c107197  
1223 C3H4O allenol c9000071  
1224 C3H4O Cyclopropanone cpone  
1225 C3H4O Methylketene c6004440  
1226 CH2CHCHO Acrolein c3h4o  
1227 NH2CONH2 Urea urea  
1228 NH2CONH2+ Urea cation urea+  
1229 NH2CSNH2 Thiourea thiourea  
1230 C2H4O2 1,3-dioxetane c2h4o2  
1231 CH3COOH Acetic acid ch3cooh  
1232 CH3OCHO methyl formate ch3ocho  
1233 CHOCH2OH hydroxy acetaldehyde haa  
1234 NH2COOH2+ Carbamic acid, O-protonated nh2cooh2+  
1235 NH3COOH+ protonated Carbamic acid nh3cooh+  
1236 H2OHCOOH Water formic acid dimer 1 h2ohcooh_10  
1237 H2OHCOOH Water formic acid dimer 2 h2ohcooh_11  
1238 HCOOHH2O Formic acid water dimer hcoohh2o  
1239 HOCH2OOH hydroxy methyl peroxide hoch2ooh  
1240 CH3COCH2 Acetonyl radical ch3coch2  
1241 CH2C(OH)NH2 1-amino vinyl alchohol ava  
1242 CH3C(OH)=NH Ethaninidic acid eia  
1243 CH3CHNOH Acetaldoxime acetaldoxime  
1244 CH3CONH2 Acetamide acetamide  
1245 HCONHCH3 N-methylformamide nmfa  
1246 CH5N2O+ urea, N-protonated ch4n2o+  
1247 H2NCOHNH2+ urea, protonated ureah+  
1248 C2H5OO ethylperoxy radical c2h5oo  
1249 CH3NNCH3 (E)-1,2-Dimethyldiazene dmdiaze  
1250 C3H5OH Cyclopropanol cproh  
1251 C3H6O 2-Propen-1-ol c107186  
1252 C3H6O Acetone enol enol  
1253 C3H6O Oxetane oxetane  
1254 C3H6O Propylene oxide prox  
1255 CH3CH2CHO Propanal propanal  
1256 CH3COCH3 Acetone acetone  
1257 CH3COCH3- acetone anion ch3coch3-  
1258 C3H6S Thietane thietane  
1259 C3H6S Thiirane, methyl- methiirane  
1260 CH3CSCH3 Thioacetone ch3csch3  
1261 C2H6O2 1,2-Ethanediol ethdiol  
1262 CH3OOCH3 dimethylperoxide dmp  
1263 CH3SOCH3 Dimethyl sulfoxide dmso  
1264 CH2SHCH2SH 1,2-Ethanedithiol ethdisl  
1265 CH3SSCH3 Disulfide, dimethyl ch3ssch3  
1266 CH3COHCH3+ acetone, protonated acetoneh+  
1267 HOCH2CH2NH2 monoethanolamine mea  
1268 C3H7OH 1-Propanol proh  
1269 CH3CHOHCH3 Isopropyl alcohol isoproh  
1270 CH3OC2H5 Ethane, methoxy- etome  
1271 C3H7SH 1-Propanethiol prsh  
1272 CH3CHSHCH3 2-Propanethiol isoprsh  
1273 CH3SCH2CH3 Ethane, (methylthio)- etsme  
1274 H2OCH3OCH3 water dimethylether dimer h2och3och3  
1275 Li2F2 Lithium fluoride dimer li2f2  
1276 Na2F2 Sodium Fluoride Dimer na2f2  
1277 Na2Cl2 Disodium dichloride na2cl2  
1278 C2F2 difluoroacetylene c2f2  
1279 C2Cl2 dichloroacetylene c2cl2  
1280 C2Cl2+ dichloroacetylene cation c2cl2+  
1281 FNO2 Nitryl fluoride fno2  
1282 FONO Nitrosyl hypofluorite fono  
1283 ClNO2 Nitryl chloride clno2  
1284 ClONO chlorine nitrite clono  
1285 BrONO Bromine nitrite brono  
1286 N2F2 (Z)-Difluorodiazene n2f2_z  
1287 N2F2 Dinitrogen difluoride, (E)- n2f2_e  
1288 CF2O Carbonic difluoride f2co  
1289 CF2O+ Carbonic difluoride cation f2co+  
1290 COFCl Carbonic chloride fluoride cofcl  
1291 CCl2O Phosgene cl2co  
1292 Cl2CS Thiophosgene cl2cs  
1293 COBr2 Carbonic dibromide cobr2  
1294 BF3 Borane, trifluoro- bf3  
1295 BF3- Borane, trifluoro- anion bf3-  
1296 BF3+ boron trifluoride cation bf3+  
1297 BClF2 Chlorodifluoroborane bclf2  
1298 AlF2Cl Aluminum chloride difluoride alclf2  
1299 ScF3 Scandium trifluoride ScF3  
1300 AlFCl2 Aluminum dichloride fluoride alcl2f  
1301 BCl3 Borane, trichloro- bcl3  
1302 BCl3+ Boron Trichloride cation bcl3+  
1303 GaF3 Gallium trifluoride gaf3  
1304 AlCl3 Aluminum trichloride alcl3  
1305 GaCl3 Gallium trichloride gacl3  
1306 BBr3 Boron tribromide bbr3  
1307 AlBr3 Aluminum Bromide albr3  
1308 ClO3 Chlorine trioxide clo3  
1309 ClO3- chlorate anion clo3-  
1310 BrO3- Bromate anion bro3-  
1311 CF3 Trifluoromethyl radical cf3  
1312 CF3- Trifluoromethyl anion cf3-  
1313 CF3+ Trifluoromethyl cation cf3+  
1314 CF2Cl difluorochloromethyl radical cf2cl  
1315 SiF3+ Silicon trifluoride cation sif3+  
1316 CFCl2 dichlorofluoromethyl radical cfcl2  
1317 CCl3 Trichloromethyl radical ccl3  
1318 CCl3- Trichloromethyl anion ccl3-  
1319 CCl3+ Trichloromethyl cation ccl3+  
1320 SiCl3 trichlorosilyl radical sicl3  
1321 SiCl3+ trichlorosilyl cation sicl3+  
1322 CBr3 tribromomethyl radical cbr3  
1323 FOOF Perfluoroperoxide foof  
1324 ClOOCl Dichlorine dioxide cloocl  
1325 FSSF Difluorodisulfane fssf  
1326 SOCl2 thionyl chloride socl2  
1327 SeOCl2 selenium oxychloride seocl2  
1328 NF3 Nitrogen trifluoride nf3  
1329 NF3- Nitrogen trifluoride anion nf3-  
1330 NF3+ Nitrogen trifluoride cation nf3+  
1331 PF3 Phosphorus trifluoride pf3  
1332 NCl3 nitrogen trichloride ncl3  
1333 AsF3 Arsenic trifluoride asf3  
1334 PCl3 Phosphorus trichloride pcl3  
1335 SbF3 Antimony Trifluoride sbf3  
1336 AsCl3 Arsenous trichloride ascl3  
1337 SbCl3 Antimony Trichloride sbcl3  
1338 NBr3 Nitrogen Tribromide nbr3  
1339 PBr3 Phosphorus tribromide pbr3  
1340 AsBr3 Arsenic tribromide asbr3  
1341 NI3 Nitrogen triiodide ni3  
1342 PI3 Phosphorus triiodide pi3  
1343 ClSSCl Disulfur dichloride s2cl2  
1344 BrF3 Bromine trifluoride brf3  
1345 IF3 iodone trifluoride if3  
1346 CHF3 Methane, trifluoro- chf3  
1347 CHF2Cl difluorochloromethane chf2cl  
1348 SiHF3 trifluorosilane sihf3  
1349 CHFCl2 fluorodichloromethane chfcl2  
1350 CDCl3 trichloromethane-d cdcl3  
1351 CHCl3 Chloroform chcl3  
1352 CHBrF2 Methane, bromodifluoro- chbrf2  
1353 SiHCl3 Trichlorosilane sihcl3  
1354 CHFClBr fluorochlorobromomethane chfclbr  
1355 CHBrCl2 Methane, bromodichloro- chbrcl2  
1356 CHF2I difluoroiodomethane chf2i  
1357 CHBr2F dibromofluoromethane chbr2f  
1358 CHFClI fluorochloroiodomethane chfcli  
1359 CHCl2I dichloroiodomethane chcl2i  
1360 CHClBr2 Methane, dibromochloro- chclbr2  
1361 CHBr3 bromoform chbr3  
1362 CHI3 Iodoform chi3  
1363 NF3H+ protonated nitrogen trifluoride nf3h+  
1364 AsF3H+ Arsenic trifluoride, protonated asf3h+  
1365 C2H2F2 Ethene, 1,2-difluoro-, (E)- c2h2f2e  
1366 C2H2F2 Ethene, 1,2-difluoro-, (Z)- c2h2f2z  
1367 CH2CF2 Ethene, 1,1-difluoro- ch2cf2  
1368 C2H2ClF 1-chloro-1-fluoroethylene c2h2clf  
1369 CHFCHCl (E)-1-chloro-2-fluoroethene chfchcle  
1370 CHFCHClz (Z)-1-Chloro-2-fluoroethene chfchclz  
1371 CH2CCl2 Ethene, 1,1-dichloro- ch2ccl2  
1372 CHClCHCl Ethene, 1,2-dichloro-, (E)- chclchcle  
1373 CHClCHCl Ethene, 1,2-dichloro-, (Z)- chclchclz  
1374 C2H2Br2 1,1-dibromoethene c2h2br2  
1375 CHBrCHBr Ethene, 1,2-dibromo-, (E)- chbrchbre  
1376 CHBrCHBr Ethene, 1,2-dibromo-, (Z)- chbrchbrz  
1377 CH2FCHO Fluoroacetaldehyde ch2fcho  
1378 CH3COF Acetyl fluoride ch3cof  
1379 CH2ClCHO chloroacetaldehyde ch2clcho  
1380 CH3COCl Acetyl Chloride ch3cocl  
1381 C2H4F2 1,2-difluoroethane c2h4f2  
1382 CH3CHF2 Ethane, 1,1-difluoro- ch3chf2  
1383 CH2FCH2Cl Ethane, 1-chloro-2-fluoro- ch2fch2cl  
1384 CH3CHFCl Ethane, 1-chloro-1-fluoro- ch3chfcl  
1385 CH2ClCH2Cl Ethane, 1,2-dichloro- ch2clch2cl  
1386 CH3CHCl2 Ethane, 1,1-dichloro- ch3chcl2  
1387 CH2BrCH2Cl 1-bromo-2-chloroethane ch2brch2cl  
1388 CH2BrCH2Br Ethane, 1,2-dibromo- ch2brch2br  
1389 CH2CFCH3 2-fluoropropene 2fpro  
1390 CH2CHCH2F Allyl Fluoride allylf  
1391 CH3CHCHF trans-1-Fluoro-1-propene propene1ft  
1392 C3H5Cl 1-Propene, 3-chloro- prop1cl3  
1393 C3H5Cl 1-chloro-1-propene(E) prop1cl1e  
1394 C3H5Cl 1-chloro-1-propene(Z) prop1cl1z  
1395 CH2FCH2OH 2-fluoroethanol ch2fch2oh  
1396 CH2ClCH2OH 2-Chloroethanol ch2clch2oh  
1397 CH2ClCH2OH2+ 2-chloroethanol, protonated ch2clch2oh2+  
1398 CH2FCH2CH3 1-Fluoropropane prf1  
1399 CH3CHFCH3 2-Fluoropropane prf2  
1400 CH2ClCH2CH3 Propane, 1-chloro- prcl1  
1401 CH3CHClCH3 Propane, 2-chloro- prcl2  
1402 CH3CH2CH2Br n-propyl bromide prbr  
1403 CH3CHBrCH3 i-propyl bromide iprbr  
1404 C3H9O+ trimethyl oxonium cation c3h9o+  
1405 B5H9 pentaborane9 b5h9  
1406 C5H4 pentatetraene ptrene  
1407 C5H5 cyclopentadienyl radical c5h5  
1408 C5H5- cylopentadienyl anion c5h5-  
1409 C5H6 1,3-Cyclopentadiene c542927  
1410 C5H6 1-Buten-3-yne, 2-methyl- c78808  
1411 C5H6 3-Penten-1-yne, (E)- c2004695  
1412 C5H6 3-Penten-1-yne, (Z)- c1574409  
1413 C5H6 Bicyclo[2.1.0]pent-2-ene c5164352  
1414 C5H6 Cyclopropylacetylene c6746947  
1415 C5H6 Propellane propellane  
1416 C5H7 1,3-pentadienyl radical pdyl  
1417 C5H7 cyclopentenyl radical cpyl  
1418 C5H8 1,2-Butadiene, 3-methyl- c598254  
1419 C5H8 1,2-Pentadiene c591957  
1420 C5H8 1,3-Butadiene, 2-methyl- c78795  
1421 C5H8 1,3-Pentadiene, (E)- c2004708  
1422 C5H8 1,3-Pentadiene, (Z)- c1574410  
1423 C5H8 1,4-Pentadiene c591935  
1424 C5H8 1-pentyne a1pentyne  
1425 C5H8 2,3-Pentadiene c591968  
1426 C5H8 Bicyclo[1.1.1]pentane bcp  
1427 C5H8 Cyclobutane, methylene- c1120565  
1428 C5H8 Cyclopentene c142290  
1429 C5H8 Ethenylcyclopropane c693867  
1430 CH3CCCH2CH3 2-Pentyne 2pentyne  
1431 C5H10 1-Butene, 2-methyl- c563462  
1432 C5H10 2-Butene, 2-methyl- c513359  
1433 C5H10 2-Pentene, (E)- c646048  
1434 C5H10 2-Pentene, (Z)- c627203  
1435 C5H10 Cyclopentane c287923  
1436 C5H10 Cyclopropane, 1,1-dimethyl- c1630940  
1437 CH2CHCH2CH2CH3 1-pentene pentene  
1438 C5H11 2-Methylbut-2-yl radical c4348350  
1439 C5H12 Butane, 2-methyl- buta2  
1440 C5H12 Pentane pentane  
1441 C5H12 Propane, 2,2-dimethyl- neopentane  
1442 Si(CH3)4 tetramethylsilane tms  
1443 N2O3 Dinitrogen trioxide n2o3  
1444 C3H2N2 Malononitrile c3h2n2  
1445 CH2N4 1H-Tetrazole 1htz  
1446 C3H3N2 imidazolyl radical im  
1447 C3H3N2- imidizolyl anion im-  
1448 C2H3N3 1H-1,2,4-Triazole c288880  
1449 C4H4N pyrrolide radical c4h4n  
1450 C4H4N- pyrrolide anion c4h4n-  
1451 C3H4N2 1H-Imidazole 1himidaz  
1452 C3H4N2 1H-Pyrazole 1hpyraz  
1453 C3H4N2 2H-Imidazole imid2h  
1454 C3H4N2 4H-Imidazole imid4h  
1455 C4H5N (E)-2-Butenenitrile c627269  
1456 C4H5N (Z)-2-Butenenitrile c1190767  
1457 C4H5N 2H-pyrrole pyrrole2  
1458 C4H5N 3H-pyrrole pyrrole3  
1459 C4H5N Cyclopropanecarbonitrile c5500210  
1460 C4H5N Pyrrole pyrrole  
1461 CH2CHCH2CN Allylcyanide ch2chch2cn  
1462 C4H6N+ pyrrole, alpha-protonated appyr  
1463 C4H6N+ pyrrole, beta-protonated bppyr  
1464 C4H6N+ pyrrole, protonated ppyr  
1465 C3H6N2 3-Aminopropionitrile c151188  
1466 CH3CH(CH3)CN Propanenitrile, 2-methyl- c4h7n  
1467 CH3CH2CH2CN Butanenitrile c109740  
1468 C5H8 Bicyclo[2.1.0]pentane c185944  
1469 C5H8 Spiropentane c157404  
1470 C4H9N Cyclobutylamine cbam  
1471 C4H9N Pyrrolidine pyrrolidine  
1472 C3H10N2 1,2-Diaminopropane diampr12  
1473 C(CH3)3NH2 2-Propanamine, 2-methyl- c75649  
1474 C(NH2)H2C(CH3)HCH3 1-Propanamine, 2-methyl- c78819  
1475 C(NH2)H2CH2CH2CH3 1-Butanamine butam1  
1476 CH3C(NH2)HCH2CH3 2-Butanamine butam2  
1477 NH(C2H5)2 diethylamine dea  
1478 NC4H12+ tetramethyl ammonium cation nc4h12+  
1479 C3O2 Carbon suboxide c3o2  
1480 C3O2+ Carbon suboxide cation c3o2+  
1481 B2O3 diboron trioxide b2o3  
1482 MgCO3 Magnesium Carbonate mgco3  
1483 BeCO3 Beryllium Carbonate beco3  
1484 CaCO3 Calcium Carbonate caco3  
1485 ONONO Nitrosyl nitrite onono  
1486 PO4--- phosphate po4---  
1487 SO4-- sulfate so4--  
1488 HOONO2 peroxy nitric acid hoono2  
1489 HSO4- bisulfate anion hso4-  
1490 C2H2N2S 1,3,4-Thiadiazole c2h2n2s  
1491 C3H2O2 Propiolic acid c3h2o2  
1492 CHOCOOH oxo acetic acid oaa  
1493 CHOOCHO diformyl ether choocho  
1494 H2SeO4 Selenic acid h2seo4  
1495 C3H3NO Isoxazole isox  
1496 C3H3NO Oxazole oxazole  
1497 C3H3NS Thiazole thiazole  
1498 CH3C(O)OO acetyl peroxy radical ch3coo2  
1499 CH3NO3 Methyl nitrate ch3no3  
1500 H3PO4 Phosphoric Acid h3po4  
1501 C4H4O Furan furan  
1502 C4H4O+ Furan cation furan+  
1503 CH3COCCH 3-butyn-2-one c1423605  
1504 C4H4S Thiophene furans  
1505 C4H4Se selenophene c4h4se  
1506 C3H4O2 β–Propiolactone beta  
1507 C3H4O2 2-Propenoic acid propenoic2  
1508 C3H4O2 Methyl glyoxal megly  
1509 C3H4O2 propanedial propanedial  
1510 C3H4O2 propenalol propenalol  
1511 HOCHCCHOH allenediol aldiol  
1512 C2H4O3 1,2,3-trioxolane c2h4o3  
1513 C2H4O3 trioxolane124 triox  
1514 HOCH2COOH Hydroxyacetic acid hac  
1515 CH2CHCONH2 Acrylamide c79061  
1516 CH3OCH2CN Methoxyacetonitrile c1738369  
1517 CH5N3S Hydrazinecarbothioamide c79196  
1518 H2NCH2COOH Glycine glycine  
1519 CH3SO2NH2 methanesulfonamide ch3so2nh2  
1520 C4H6O cis-2-butenal butenal2c  
1521 C4H6O Cyclobutanone cbutone  
1522 C4H6O Furan, 2,3-dihydro- furan23h  
1523 C4H6O Furan, 2,5-dihydro- furan25h  
1524 CH2CHOCHCH2 Vinyl ether vinylether  
1525 CHOCHCHCH3 2-Butenal butenal2  
1526 C4H6S Thiophene, 2,3-dihydro- thiop23h  
1527 C4H6S Thiophene, 2,5-dihydro- thiop25h  
1528 CH2CHSCHCH2 Divinyl sulfide divis  
1529 C2H6N2O Urea, methyl- c598505  
1530 C3H6O2 1,3-Dioxolane dioxolane  
1531 CH3CH2COOH Propanoic Acid propanoic  
1532 CH3COOCH3 methyl acetate aame  
1533 HCOOC2H5 Ethyl formate faee  
1534 CH3SSSCH3 dimethyl trisulfide c2h6s3  
1535 C3H7NO dimethylformamide dmf  
1536 C3H7NO Propanamide propanam  
1537 C2H3OC2H5 Ethene, ethoxy- c109922  
1538 C4H8O Cyclobutanol c2919235  
1539 C4H8O Furan, tetrahydro- thf  
1540 CH2C(CH3)OCH3 1-Propene, 2-methoxy- pre1meo2  
1541 CH3COCH2CH3 2-Butanone buta2one  
1542 CHOCH(CH3)CH3 Propanal, 2-methyl- c78842  
1543 CHOCH2CH2CH3 Butanal butanal  
1544 C4H8S Thiophene, tetrahydro- tht  
1545 C3H8O2 1,3-Propanediol c504632  
1546 C3H8O2 Hydroperoxide, 1-methylethyl c3031752  
1547 C3H8O2 Methane, dimethoxy- c109875  
1548 C3H8O2 Propylene glycol c57556  
1549 C3H8S2 1,3-Propanedithiol c109808  
1550 C4H10O 1-Butanol butanol1  
1551 C4H10O 1-Propanol, 2-methyl- c78831  
1552 C4H10O 2-Butanol, (.+/-.)- butanol2  
1553 C4H10O Ethanol, 1,1-dimethyl- tbuoh  
1554 C4H10O Ethoxy ethane etoet  
1555 C4H10O Methyl propyl ether meopr  
1556 C4H10O Propane, 2-methoxy- c598538  
1557 C4H10O+ 1-Butanol cation butanol1+  
1558 C(CH3)3SH 2-Propanethiol, 2-methyl- tbush  
1559 C2H5SC2H5 Diethyl sulfide etset  
1560 C4H9SH 1-Butanethiol bush  
1561 CH2(SH)CH(CH3)CH3 1-Propanethiol, 2-methyl- c513440  
1562 CH3C(SCH3)HCH3 Propane, 2-(methylthio)- mesipr  
1563 CH3CH(SH)CH2CH3 2-Butanethiol butansl2  
1564 FNO3 Fluorine nitrate fno3  
1565 ClONO2 Chlorine nitrate clono2  
1566 BrONO2 Bromine nitrate brono2  
1567 TiCl4 Titanium tetrachloride ticl4  
1568 ClO4- perchlorate anion clo4-  
1569 BF4- tetrafluoroboron anion bf4-  
1570 ClFO3 Perchloryl fluoride clfo3  
1571 SO2F2 Sulfuryl fluoride so2f2  
1572 SO2Cl2 Sulfuryl chloride so2cl2  
1573 F3NO Nitrogen trifluoride oxide f3no  
1574 F3PO Phosphoryl fluoride pf3o  
1575 Cl3PO Phosphoryl chloride pcl3o  
1576 CF4 Carbon tetrafluoride cf4  
1577 CF3Cl Methane, chlorotrifluoro- cf3cl  
1578 SiF4 Silicon tetrafluoride sif4  
1579 TiF4 Titanium tetrafluoride tif4  
1580 CFCl3 Trichloromonofluoromethane cfcl3  
1581 CF3Br Bromotrifluoromethane cf3br  
1582 GeF4 Germanium tetrafluoride gef4  
1583 CCl4 Carbon tetrachloride ccl4  
1584 CCl4+ Carbon tetrachloride cation ccl4+  
1585 CBrClF2 Methane, bromochlorodifluoro- cbrclf2  
1586 SiCl4 Silane, tetrachloro- sicl4  
1587 CBrCl2F bromodichlorofluoromethane cbrcl2f  
1588 CF3I trifluoroiodomethane cf3i  
1589 CBrCl3 Methane, bromotrichloro- cbrcl3  
1590 CBr2F2 Methane, dibromodifluoro- cbr2f2  
1591 GeCl4 Germanium Tetrachloride gecl4  
1592 CBr2ClF dibromochlorofluoromethane cbr2clf  
1593 CBr2Cl2 dibromodichloromethane cbr2cl2  
1594 CCl3I trichloroiodomethane ccl3i  
1595 CFBr3 fluorotribromomethane cfbr3  
1596 CFClBrI fluorochlorobromoiodomethane cfclbri  
1597 CBr3Cl tribromochloromethane cbr3cl  
1598 CF2I2 difluorodiiodomethane cf2i2  
1599 CBr4 Carbon tetrabromide cbr4  
1600 CCl2I2 dichlorodiiodomethane ccl2i2  
1601 SiBr4 Silicon tetrabromide sibr4  
1602 CBr3I tribromoiododmethane cbr3i  
1603 GeBr4 Germanium tetrabromide gebr4  
1604 CI4 tetraiodomethane ci4  
1605 SiI4 silicon tetraiodide sii4  
1606 ClOF3 Chlorine trifluoride oxide clof3  
1607 SeF4 Selenium tetrafluoride sef4  
1608 SCl4 Sulfur tetrachloride scl4  
1609 C2HF3 Trifluoroethylene c2hf3  
1610 C2HF3+ Trifluoroethylene cation c2hf3+  
1611 CHClCCl2 Trichloroethylene chclccl2  
1612 CHBrCF2 1-Bromo-2,2-difluoroethylene chbrcf2  
1613 HClO4 perchloric acid hclo4  
1614 HSO3F Fluorosulfonic acid hso3f  
1615 CF3OH trifluoromethanol cf3oh  
1616 CH2ClCCCl 1,3-dichloropropyne ch2clcccl  
1617 CHClCCHCl 1,3-dichloroallene chclcchcl  
1618 CHCl2CCH 3,3-dichloropropyne chcl2cch  
1619 CHCl2CHO dichloroacetaldehyde chcl2cho  
1620 PF3CH2 phosphorane, trifluoromethylene- pf3ch2  
1621 CH3CF3 Ethane, 1,1,1-trifluoro- ch3cf3  
1622 CHF2CH2F Ethane, 1,1,2-trifluoro ch2fchf2  
1623 CH3CF2Cl 1-Chloro-1,1-Difluoroethane ch3cf2cl  
1624 CH3CFCl2 1,1-Dichloro-1-fluoroethane ch3cfcl2  
1625 CH2ClCHCl2 1,1,2-trichloroethane ch2clchcl2  
1626 CH3CCl3 Ethane, 1,1,1-trichloro- ch3ccl3  
1627 SiCl3CH3 methyltrichlorosilane sicl3ch3  
1628 CH3CBr3 1,1,1-tribromoethane ch3cbr3  
1629 NH3BCl3 Amminetrichloroboron nh3bcl3  
1630 CH2CClCHCH2 1,3-Butadiene, 2-chloro- c4h5cl  
1631 C3H5ClO Oxirane, (chloromethyl)- c106898  
1632 CH2FCH2CH2F 1,3-difluoropropane ch2fch2ch2f  
1633 CH3CF2CH3 2,2-difluoropropane ch3cf2ch3  
1634 CH2ClCH2CH2Cl 1,3-dichloropropane prdicl13  
1635 CH2ClCHClCH3 Propane, 1,2-dichloro- prdicl12  
1636 CH3CCl2CH3 Propane, 2,2-dichloro- prdicl22  
1637 CHCl2CH2CH3 1,1-dichloropropane prdicl11  
1638 SiCl2(CH3)2 dichlorodimethylsilane sicl2me2  
1639 CH2CClCH2CH3 1-Butene, 2-chloro- bute1cl2  
1640 CH2CHCH2CH2Cl 1-Butene, 4-chloro- bute1cl4  
1641 CH2CHCHClCH3 1-Butene, 3-chloro- bute1cl3  
1642 CH2ClCHCHCH3 2-Butene, 1-chloro- bute2cl1  
1643 CH3CClCHCH3 2-Butene, 2-chloro-, (E)- bute2cl2e  
1644 CH3CClCHCH3 2-Butene, 2-chloro-, (Z)- bute2cl2z  
1645 CHClCHCH2CH3 (E)-1-Chloro-1-butene bute1cl1  
1646 CHClCHCH2CH3 (Z)-1-Chloro-1-butene bute1cl1z  
1647 C4H9F 1-fluorobutane butaf1  
1648 CH3CHFCH2CH3 2-fluorobutane butaf2  
1649 CH2ClCH2CH2CH3 Butane, 1-chloro- butacl1  
1650 CH3CCl(CH3)CH3 Propane, 2-chloro-2-methyl- procl2me2  
1651 CH3CHClCH2CH3 Butane, 2-chloro- butacl2  
1652 XeF4 Xenon tetrafluoride xef4  
1653 C2H2N2O Furazan furazan  
1654 CF3PH2 phosphine, (trifluoromethyl)- cf3ph2  
1655 NH3BF3 Amminetrifluoroboron nh3bf3  
1656 C6H2 hexatriyne c6h2  
1657 C6H4 (E)-Hexa-1,5-diyne-3-ene c6h4e  
1658 C6H4 (Z)-Hexa-1,5-diyne-3-ene c6h4z  
1659 C6H4 Benzyne benzyne  
1660 C6H5 phenyl phenyl  
1661 C6H5- phenyl anion phenyl-  
1662 C6H6 Prismane prismane  
1663 C6H6 1,2,4,5-Hexatetraene ht1245  
1664 C6H6 2,4-Hexadiyne hexadiyne  
1665 C6H6 3,4-Dimethylenecyclobutene cb34m  
1666 C6H6 Benzene benzene  
1667 C6H6 Benzvalene bv  
1668 C6H6 Dewar Benzene dewar  
1669 C6H6 Hexa-1,5-diene-3-yne hdy153  
1670 C6H6 Trimethylenecycopropane tmcp  
1671 C6H6+ Benzene cation c6h6+  
1672 C6H7+ benzene, protonated c6h7+  
1673 C6H8 (E)-hexa-1,3,5-triene c821078  
1674 C6H8 (E)-hexa-2,3,4-triene c59660650  
1675 C6H8 (Z)-hexa-1,3,5-triene hexatri135  
1676 C6H8 (Z)-hexa-2,3,4-triene hetr234c  
1677 C6H8 1,3-Cyclohexadiene cyhexadiene13  
1678 C6H8 1,4-Cyclohexadiene cyhexadiene14  
1679 C6H8 3-Methylenecyclopentene c930267  
1680 C6H8 Bicyclo[2.1.1]hex-2-ene c822413  
1681 C6H8 Bicyclo[2.2.0]hex-1(4)-ene c30830207  
1682 C6H8 Bicyclo[3.1.0]hex-2-ene c694019  
1683 C6H10 1,3-Hexadiene, (E)- hexdi13e  
1684 C6H10 1,3-Hexadiene, (Z)- hexdi13z  
1685 C6H10 1,4-Hexadiene, (E)- hexdi14t  
1686 C6H10 1,4-Hexadiene, (Z)- hexdi14z  
1687 C6H10 1,5-Hexadiene c592427  
1688 C6H10 1-Butyne, 3,3-dimethyl- c917920  
1689 C6H10 1-Hexyne hexyne1  
1690 C6H10 2,4-Hexadiene, (E,E)- hexdi24ee  
1691 C6H10 2,4-Hexadiene, (E,Z)- hexdi24ez  
1692 C6H10 2,4-Hexadiene, (Z,Z)- hexdi24zz  
1693 C6H10 2-Hexyne c764352  
1694 C6H10 3-Hexyne hexyne3  
1695 C6H10 cyclohexene cyclohexene  
1696 C6H10 Cyclopentene, 1-methyl- c693890  
1697 C6H10 Cyclopentene, 3-methyl- c1120623  
1698 C6H10 Cyclopentene, 4-methyl- c1759815  
1699 C4H6(CH3)2 1,1-dimethylcyclobutane dmcb11  
1700 C6H12 (1R,2R)-1,2-dimethylcyclobutane dmcb12t  
1701 C6H12 (1r,3r)-1,3-dimethylcyclobutane dmcb13t  
1702 C6H12 (E)-2-Hexene e2hexene  
1703 C6H12 (E)-3-methylpent-2-ene c616126  
1704 C6H12 (E)-hex-3-ene e3hexene  
1705 C6H12 (Z)-3-methylpent-2-ene c922623  
1706 C6H12 (Z)-hex-2-ene z2hexene  
1707 C6H12 (Z)-hex-3-ene z3hexene  
1708 C6H12 2,3-dimethylbut-1-ene c563780  
1709 C6H12 2,3-dimethyl-but-2-ene tmeet  
1710 C6H12 3-methylenepentane c760214  
1711 C6H12 cis-1,2-dimethylcyclobutane dmcb12c  
1712 C6H12 cis-1,3-dimethylcyclobutane dmcb13c  
1713 C6H12 Cyclohexane cyclohexane  
1714 C6H12 Cyclopentane, methyl- c96377  
1715 C6H12 Ethylcyclobutane c4806615  
1716 C6H12 hex-1-ene hexene1  
1717 C6H14 Butane, 2,2-dimethyl- buta22  
1718 C6H14 Butane, 2,3-dimethyl- buta23  
1719 C6H14 Hexane hexane  
1720 C6H14 Pentane, 2-methyl- penta2  
1721 C6H14 Pentane, 3-methyl- penta3  
1722 C4N2 2-Butynedinitrile c4n2  
1723 N3P3 1,3,5,2,4,6-Triazatriphosphorine n3p3  
1724 C4H2N2 Fumaronitrile c4h2n2  
1725 C2H2N4 sym-tetrazine ttz  
1726 C3H3N3 1,3,5-Triazine triazine135  
1727 CH3N5 5-Aminotetrazole c4418615  
1728 C4H4N2 1,3-Diazine diazine13  
1729 C4H4N2 Pyrazine pyrazine  
1730 C4H4N2 Pyridazine pyridazine  
1731 C4H4N2 Succinonitrile c110612  
1732 C2H4N4 1H-Tetrazole, 1-methyl- c16681779  
1733 C2H4N4 1H-Tetrazole, 5-methyl- c4076362  
1734 C2H4N4 2H-Tetrazole, 2-methyl- c16681780  
1735 C5H5N Bicyclo[1.1.0]butane-1-carbonitrile bibucn  
1736 C5H5N E-2,4-pentadienenitrile bdcn  
1737 C5H5N Pyridine pyridine  
1738 B3N3H6 borazine borazine  
1739 C6H6 Fulvene fulvene  
1740 C5H6N+ Pyridinium c5h6n  
1741 C4H6N2 1H-Imidazole, 2-methyl- c693981  
1742 C5H7N (E)-2-Pentenenitrile c26294984  
1743 C5H7N (E)-3-Pentenenitrile c16529661  
1744 C5H7N (Z)-2-Pentenenitrile c25899507  
1745 C5H7N 1H-Pyrrole, 1-methyl- c96548  
1746 C5H7N Cyclobutanecarbonitrile c4426113  
1747 C5H9N 1,2,3,6-Tetrahydropyridine c694053  
1748 C5H9N Butanenitrile, 2-methyl- c18936179  
1749 C5H9N Pentanenitrile c110598  
1750 C5H9N Propanenitrile, 2,2-dimethyl- c630182  
1751 C6H10 Bicyclo[3.1.0]hexane c285585  
1752 C5H11N Cyclopentanamine cypentam  
1753 C5H11N Piperidine piper  
1754 C4H12N2 1,2-Butanediamine c4426486  
1755 C4H12N2 2-Methyl-1,2-propanediamine c811938  
1756 Li2CO3 Lithium Carbonate li2co3  
1757 Na2CO3 Sodium Carbonate na2co3  
1758 C2O4-- oxalate anion c2o4  
1759 MgSO4 Magnesium Sulfate mgso4  
1760 N2O4 Dinitrogen tetroxide n2o4  
1761 C3H2O3 vinylene carbonate vica  
1762 C2H2O4 Oxalic Acid oxalic  
1763 C2H3NO3 Oxamic acid oxamic  
1764 C4H4O2 2(5H)-Furanone furanone  
1765 C4H4O2 2-Oxetanone, 4-methylene- c674828  
1766 C2H4N2O2 Oxalamide oxalamide  
1767 C2H4N2S2 Ethanedithioamide c79403  
1768 C2H4CO3 Ethylene carbonate etco3  
1769 C3H4O2S 2H-Thiete-1,1-dioxide c7285327  
1770 C3H4S3 1,3-Dithiolane-2-thione c822388  
1771 C2H4O4 Formic acid dimer fadimer  
1772 C4H5NO 3-Methylisoxazole isox3m  
1773 C4H5NO Isoxazole, 5-methyl- c5765446  
1774 C4H5NS 4-Methylthiazole c693958  
1775 C2H5NO3 Nitric acid, ethyl ester c625581  
1776 C5H6O 2H-Pyran pyran2  
1777 C5H6O 2-methylfuran furan2m  
1778 C5H6O 3-Methylfuran furan3m  
1779 C5H6O Pentadienal pdal  
1780 C5H6S Thiophene, 2-methyl- c554143  
1781 C5H6S Thiophene, 3-methyl- c616444  
1782 C4H6O2 γ–Butyrolactone c96480  
1783 C4H6O2 2,3-Butanedione c431038  
1784 C4H6O2 2-Propenoic acid, methyl ester c96333  
1785 C4H6O2 Crotonic Acid crot  
1786 C4H6OS 2,3-dihydrothiophene-2-ol c9000117  
1787 C4H6OS 2,5-dihydrothiophene-3-ol c9000093  
1788 C4H6OS 4,5-dihydrothiophene-2-ol c9000106  
1789 C4H6OS 4,5-dihydrothiophene-3-ol c9000082  
1790 C4H6OS Dihydro-2-(3H)-thiophenone c1003107  
1791 C4H6OS Dihydro-3-(2H)-thiophenone c1003049  
1792 C4H6OS Vinyl sulfoxide c1115157  
1793 CH6N4S Carbonothioic dihydrazide thiacarb  
1794 C2H6N2O2 (E)-Azodioxymethane c37765154  
1795 C2H6N2O2 Dimethylnitroamine c4164287  
1796 C3H6O3 1,3,5-Trioxane trioxane  
1797 C3H6S3 1,3,5-Trithiane c3h6s3  
1798 C3H6S3 Carbonotrithioic acid, dimethyl ester c2314489  
1799 C2H6O3S Sulfurous acid, dimethyl ester c616422  
1800 C4H7NO 2-Pyrrolidinone c616455  
1801 C4H7NO Ethoxyacetonitrile etoaccn  
1802 C4H7NO Methacrylamide c79390  
1803 C4H7NO Oxazole, 4,5-dihydro-2-methyl- c1120645  
1804 HCONH2CN2H4 formamide aminomethanimine dimer d13  
1805 C3H7ONO Propyl nitrite prono  
1806 CH3CH(CH3)ONO Isopropyl nitrite c541424  
1807 CH3CH(NH2)COOH Alanine alanine  
1808 CH3NHCH2COOH Sarcosine sarcosine  
1809 NH2CH2CH2COOH β–alanine betaalanine  
1810 NH2COOC2H5 Urethane urethane  
1811 C5H8O 2H-Pyran, 3,4-dihydro- c110872  
1812 C5H8O Cyclopentanone c120923  
1813 C5H8O Furan, 2,3-dihydro-5-methyl- c1487156  
1814 C5H8O Methyl cyclopropyl ketone c765435  
1815 N(CH3)2CONH2 Urea, N,N-dimethyl- c598947  
1816 NH(CH3)CONH(CH3) Urea, N,N'-dimethyl- c96311  
1817 NH2CONHC2H5 Urea, ethyl- c625525  
1818 C4H8O2 1,3-Dioxane dioxan13  
1819 C4H8O2 1,3-Dioxolane, 2-methyl- c497267  
1820 C4H8O2 1,4-Dioxane dioxan14  
1821 C4H8O2 Ethene, 1,1-dimethoxy- c922690  
1822 C4H8O2 Ethyl acetate c141786  
1823 C4H8OS s-Ethyl thioacetate c625605  
1824 C3H8O3 1,2,3-Propanetriol glycerin  
1825 C3H8O2S (Methylsulfonyl)ethane c594434  
1826 C4H9NO Butanamide c541355  
1827 C4H9NO Propanamide, 2-methyl- c563837  
1828 C5H10O 2-Butanone, 3-methyl- c563804  
1829 C5H10O 2H-Pyran, tetrahydro- c142687  
1830 C5H10O 2-methylbutyraldehyde 2meba  
1831 C5H10O 2-Pentanone mpk  
1832 C5H10O 3-Pentanone dek  
1833 C5H10O Cyclopentanol c96413  
1834 C5H10O Oxetane, 3,3-dimethyl- c6921353  
1835 C5H10O Pentanal pal  
1836 C5H10S 2H-Thiopyran, tetrahydro- c1613510  
1837 C5H10S 3-Ethylthio-1-propene c5296628  
1838 C5H10S Cyclopentanethiol c1679078  
1839 C5H10S Thiophene, tetrahydro-2-methyl- c1795091  
1840 C5H10S Thiophene, tetrahydro-3-methyl- c4740005  
1841 C4H10O2 1,1-Dimethoxyethane c534156  
1842 C4H10O2 1,3-Butanediol budiol13  
1843 C4H10O2 1,4-Butanediol budiol14  
1844 C4H10O2 Ethane, 1,2-dimethoxy- c110714  
1845 C4H10OS Diethyl sulfoxide c70291  
1846 C4H10S2 1,4-Butanedithiol budisl14  
1847 C4H11NO Diethylhydroxylamine c3710847  
1848 C5H12O 1-Butanol, 2-methyl- c137326  
1849 C5H12O 1-Butanol, 3-methyl- c123513  
1850 C5H12O 1-Pentanol pentanol1  
1851 C5H12O 2-Butanol, 3-methyl- c598754  
1852 C5H12O 2-Pentanol peol2  
1853 C5H12O 3-Pentanol pentan3ol  
1854 C5H12O Butane, 1-methoxy- meobu  
1855 C5H12O Propane, 1-ethoxy- proet  
1856 C5H12O Propane, 2-methoxy-2-methyl- c1634044  
1857 C5H12S 1-Butanethiol, 2-methyl- c1878188  
1858 C5H12S 1-Butanethiol, 3-methyl- c541311  
1859 C5H12S 1-Pentanethiol c110667  
1860 C5H12S 1-Propanethiol, 2,2-dimethyl- c1679089  
1861 C5H12S 2-Butanethiol, 2-methyl- c1679090  
1862 C5H12S 2-Butanethiol, 3-methyl- c2084186  
1863 C5H12S Butane, 1-(methylthio)- c628295  
1864 C5H12S Ethyl propyl sulfide c4110503  
1865 C5H12S Propane, 2-(ethylthio)- c5145993  
1866 C5H12S Propane, 2-methyl-2-(methylthio)- c6163640  
1867 C4F2 difluorobutadiyne c4f2  
1868 ClCOClCO Oxalyl chloride oxcl  
1869 CF3CN Acetonitrile, trifluoro- cf3cn  
1870 CF3CN+ Acetonitrile, trifluoro- cation cf3cn+  
1871 B2F4 Diboron tetrafluoride b2f4  
1872 B2Cl4 Diboron tetrachloride b2cl4  
1873 C2F4 Tetrafluoroethylene c2f4  
1874 C2F4+ Tetrafluoroethylene cation c2f4+  
1875 C2ClF3 Ethene, chlorotrifluoro- c2f3cl  
1876 CF2CCl2 difluorodichloroethylene cf2ccl2  
1877 CFClCClF trans-1,2-dichloro-1,2-difluoroethylene cfclcclf  
1878 CFClCFCl cis-1,2-dichloro-1,2-difluoroethylene cfclcfcl  
1879 C2FCl3 fluorotrichloroethene c2fcl3  
1880 C2Cl4 Tetrachloroethylene c2cl4  
1881 C2Br4 tetrabromoethene c2br4  
1882 CF3OF Trifluoromethylhypofluorite cf3of  
1883 AsF5 Arsenic pentafluoride asf5  
1884 PCl5 Phosphorus pentachloride pcl5  
1885 SF5 Sulfur pentafluoride sf5  
1886 SF5+ pentafluoro sulfur cation sf5+  
1887 SbCl5 Antimony pentachloride sbcl5  
1888 BrF5 bromine pentafluoride brf5  
1889 ClF5 chlorinepentafluoride clf5  
1890 IF5 pentafluoroiodine if5  
1891 CF3CHO trifluoroacetaldehyde cf3cho  
1892 CCl3CHO trichloroacetaldehyde ccl3cho  
1893 CHFClCHClF ethane, 1,2-dichloro-1,2-difluoro- chfclchclf  
1894 CF3CH2F 1,1,1,2-tetrafluoroethane cf3ch2f  
1895 CHF2CHF2 1,1,2,2-tetrafluoroethane chf2chf2  
1896 CF3CH2Cl 2,2,2-Trifluoroethyl chloride cf3ch2cl  
1897 CHFClCHFCl 1,2-dichloro-1,2-difluoroethane RR chfclchfcl  
1898 CH2ClCCl3 1,1,1,2-tetrachloroethane ch2clccl3  
1899 CH2BrCBr3 1,1,1,2-tetrabromo ethane c2h2br4  
1900 CHCl2CHF2 1,1-dichloro-2,2-difluoroethane c2h2cl2f2  
1901 CF3COOH trifluoroacetic acid cf3cooh  
1902 C4H3ClO Furan, 2-chloro fur2cl  
1903 C4H3ClO Furan,3-chloro fur3cl  
1904 C3H5ClO2 Carbonochloridic acid, ethyl ester c541413  
1905 C3H5Cl3 Propane, 1,2,3-trichloro- prcl135  
1906 C4H8Cl2 1,4-Dichlorobutane c110565  
1907 C4H8Cl2 Butane, 1,2-dichloro- c616217  
1908 C4H8Cl2 Butane, 1,3-dichloro- c1190223  
1909 C4H8Cl2 Butane, 2,3-dichloro-, (r*,r*)-(.+/-.)- c2211678  
1910 C4H8Cl2 Butane, 2,3-dichloro-, (r*,s*)- c4028562  
1911 C4H9ClO 1-Chloro-2-ethoxyethane c628342  
1912 C5H11Cl Pentane, 1-chloro- pencl1  
1913 C4H8O2 Butanoic acid bua  
1914 C6H5CH2 benzyl radical benzyl  
1915 C7H7 cycloheptatrienyl radical c7h7  
1916 C7H7+ cycloheptatrienyl cation c7h7+  
1917 C6H5CH3 toluene toluene  
1918 C7H8 cycloheptatriene cht  
1919 C7H8 Norbornadiene norbor  
1920 C7H8 Quadricyclane qucy  
1921 C7H12 Norbornane nor  
1922 C7H14 cycloheptane c7h14  
1923 C7H16 2-methylhexane 2mhex  
1924 C7H16 3-methylhexane hex3m  
1925 C7H16 heptane heptane  
1926 CH(CN)3 tricyanomethane mecn3  
1927 HN=C=C(CN)2 Dicyanoketenimine c4hn3  
1928 C6H7N 2-Methylpyridine mp  
1929 C6H5NH2 aniline aniline  
1930 C6H13N 2-Methylpiperidine pip2m  
1931 C6H13N cyclohexanamine cham  
1932 C6H15N triethylamine tea  
1933 N2O5 Dinitrogen pentoxide n2o5  
1934 C4H2O3 Maleic Anhydride malan  
1935 C5H4O2 4-Cyclopentene-1,3-dione cpdio  
1936 C5H4O2 furfural furfural  
1937 C6H5O phenoxy radical phenoxy  
1938 C5H5NO 2(1H)-Pyridinone c72762006  
1939 C5H5NO 2(3H)-Pyridinone c9000048  
1940 C5H5NO 2(5H)-Pyridinone c9000037  
1941 C5H5NO 2-Pyridinol c109104  
1942 C5H5NO 3(2H)-Pyridinone c9000004  
1943 C5H5NO 3(4H)-Pyridinone c9000026  
1944 C5H5NO 3(6H)-Pyridinone c9000015  
1945 C5H5NO 3-Pyridinol c109002  
1946 C5H5NO 4(1H)-Pryidinone c9000060  
1947 C5H5NO 4(3H)-Pryidinone c9000059  
1948 C5H5NO 4-Pyridinol c626642  
1949 C6H5OH phenol phenol  
1950 C6H6O 2,4-Cyclohexadienone c24599573  
1951 C6H6O 2,5-Cyclohexadienone c5664335  
1952 C6H5SH Benzenethiol phsh  
1953 HO2CCHNH2CH2OH Serine serine  
1954 C5H8O2 Acetylacetone acac  
1955 C4H8O2S Sulfolane sulfolane  
1956 C7H10 Norbornene norbornene  
1957 CH(C2H3)3 trivinyl methane tvm  
1958 C6H10O cyclohexanone chexo  
1959 C6H12O hexanal c6h12o  
1960 C6H12O Oxepane oxepane  
1961 C3H7OC3H7 di-n-propyl ether propr  
1962 F2CCCF2 tetrafluoroallene pfa  
1963 CF3COO- trifluoro acetate anion cf3coo-  
1964 CF3COF trifluoroacetyl fluoride cf3cof  
1965 CF3COCl trifluoroacetyl chloride cf3cocl  
1966 PF6 Hexafluorophosphate neutral pf6  
1967 SeF6 Selenium hexafluoride sef6  
1968 CF3CHF2 pentafluoroethane cf3chf2  
1969 CF3CHFCl 1,1,1,2-tetrafluorochloroethane cf3chfcl  
1970 CF3CHCl2 1,1-Dichloro-2,2,2-trifluoroethane cf3chcl2  
1971 CHCl2CClF2 Ethane, 1,2,2-trichloro-1,1-difluoro- chcl2cclf2  
1972 CCl3CHCl2 pentachloroethane ccl3chcl2  
1973 C6H5F Fluorobenzene bzf  
1974 C6H5Cl chlorobenzene bzcl  
1975 C6H5Br bromobenzene bzbr  
1976 C8H6 Calicene calicene  
1977 C6H5CCH phenylacetylene phac  
1978 C8H6 benzocyclobutadiene bcbd  
1979 C8H6 Pentalene pentalene  
1980 C6H5CHCH2 Styrene styrene  
1981 C8H8 cubane cubane  
1982 C8H8 cyclooctatetraene cot  
1983 C6H5CH2CH3 Ethylbenzene etbz  
1984 CH3C6H4CH3 meta-xylene mxylene  
1985 CH3C6H4CH3 paraxylene pxylene  
1986 C8H14 Bicyclo[2.2.2]octane bico222  
1987 C8H16 cyclooctane cyclooct  
1988 (CH3)3CC(CH3)3 tetramethylbutane tmb  
1989 C8H18 Octane c8h18  
1990 C6H5CN phenyl cyanide phcn  
1991 C6H12N2 Triethylenediamine ted  
1992 C4O4-- squarate dianion c4o4--  
1993 S4N4 Tetrasulfur tetranitride s4n4  
1994 S8 Octasulfur s8  
1995 C6H4O2 parabenzoquinone pbq  
1996 C4H4N2O2 Uracil uracil  
1997 C6H5CHO benzaldehyde benzal  
1998 C6H5OCH3 Anisole anisole  
1999 C5H9NO2 Proline proline  
2000 C6H12O2 Methyl pivalate c598981  
2001 C6H12O2 Hexanoic acid hexa  
2002 C4F4 tetrafluorcyclobutadiene c4f4  
2003 CF3CF2Cl pentafluorochloroethane cf3cf2cl  
2004 CF2ClCF2Cl 1,2-Dichloro-1,1,2,2-tetrafluoroethane cf2clcf2cl  
2005 CF3CFCl2 1,1-Dichlorotetrafluoroethane cf3cfcl2  
2006 CF2ClCFCl2 Ethane, 1,1,2-trichloro-1,2,2-trifluoro- cf2clcfcl2  
2007 CF3CCl3 1,1,1-trifluoro-2,2,2-trichloroethane cf3ccl3  
2008 C2F6 hexafluoroethane c2f6  
2009 C2Cl6 hexachloroethane c2cl6  
2010 IF7 Iodine heptafluoride if7  
2011 C6H4F2 metadifluorobenzene mdfb  
2012 C6H4F2 orthodifluorobenzene odfb  
2013 C6H4F2 1,4-difluorobenzene pdfb  
2014 C6H4Cl2 1,2-dichlorobenzene dcb12  
2015 C6H4Cl2 1,3-dichlorobenzene dcb13  
2016 C6H4Cl2 1,4-dichlorobenzene dcb14  
2017 C6H5NO nitrosobenzene bzno  
2018 C9H8 Indene indene  
2019 C9H8 spiro[4.4]nona-1,3,6,8-tetraene snt  
2020 C9H12 n-propyl benzene prbz  
2021 C9H20 Nonane nonane  
2022 C(CN)4 tetracyanomethane c5n4  
2023 C5H4N4 purine purine  
2024 C8H7N Indole indole  
2025 C3H3N3O3 cyanuric acid cyanuric  
2026 C6H5NO2 Nitrobenzene c6h5no2  
2027 C6H5COOH benzoic acid benzo  
2028 CH3COC6H5 acetophenone acph  
2029 C3Cl3N3 1,3,5-Triazine, 2,4,6-trichloro- c3cl3n3  
2030 C3F6 hexafluoropropene c3f6  
2031 C6H3F3 Benzene trifluoride 123 bzf3a  
2032 C8H18O 1-Octanol octanol  
2033 C10H8 Azulene azu  
2034 C10H8 naphthalene naph  
2035 C10H10 bullvalene bullv  
2036 C10H16 adamantane adamantane  
2037 C6N4 Tetracyanoethylene tcne  
2038 C6N4- tetracyanoethylene anion tcne-  
2039 C10H22 Decane decane  
2040 C4F6 perfluorobutadiene c4f6  
2041 SF5CF3 Sulfur, pentafluoro(trifluoromethyl)- sf5cf3  
2042 C3F8 perfluoropropane c3f8  
2043 Fe(CO)5 Iron pentacarbonyl ipc  
2044 Fe(C5H5)2 ferrocene fecp2  
2045 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
2046 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
2047 C12H8 Acenaphthylene acenaph  
2048 C12H8 biphenylene biph  
2049 C12H10 biphenyl biphenyl  
2050 C12H10 Heptalene heptalene  
2051 C6H12O6 Inositol inositol  
2052 C6F6 hexafluorobenzene c6f6  
2053 S2F10 disulphur decafluoride s2f10  
2054 C13H10 Fluorene fluorene  
2055 C14H10 Anthracene anth  
2056 C14H10 Phenanthrene phenanthrene  
2057 C14H14 Bibenzyl bibenzyl  
2058 C12H10N2 azobenzene azobenzene  
2059 C6H5COC6H5 benzophenone benzophenone  
2060 C16H10 Pyrene pyrene  
2061 C18H12 Tetracene tetracene  
2062 C19H16 Triphenylmethane tpm  
2063 C24H12 Coronene coronene  
2064 C60 Buckminsterfullerene c60