National Institute of Standards and Technology
Computational Chemistry Comparison and Benchmark DataBase
Release 22May 2022
NIST Standard Reference Database 101
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XXH-bond dimers
XXIOddities

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III.F.1. (I.A.4.)

List of which calculations are completed at B2PLYP=FULLultrafine /cc-pVTZ-PP

Jump to calculations not yet done
count Species Name State Conformation
1 Ga Gallium atom 2P 
2 Ga- Gallium atom anion 3POh
3 Ga+ Gallium atom cation 1S 
4 GaH Gallium monohydride 1ΣC∞v
5 GaH+ Gallium monohydride cation 2ΣC∞v
6 Ge Germanium atom 3PKh
7 Ge- Germanium anion 4SKh
8 Ge+ Germanium cation 2PKh
9 Sn+ Tin cation   
10 GeH germylidene 2ΠC∞v
11 GeH2 germylene 1A1C2v
12 GeH3 Germyl radical 2A1C3v
13 GeH3+ germyl cation 1A1'D3h
14 As Arsenic atomic 4SKh
15 As+ Arsenic cation 3PKh
16 AsH Arsenic monohydride 3ΣC∞v
17 AsH3 Arsine 1A1C3v
18 AsH3+ Arsine cation 2A1C3v
19 AsH4+ Arsonium   
20 Se Selenium atom 3PKh
21 Se- Selenium atom anion 2PKh
22 Se+ Selenium atom cation 4SKh
23 HSe Selenium monohydride 2ΠC∞v
24 HSe- selenium monohydride anion 1ΣC∞v
25 HSe+ selenium monohydride cation 3ΣC∞v
26 H2Se Hydrogen selenide 1A1C2v
27 H2Se+ Hydrogen selenide cation 2B1C2v
28 H3Se+ Hydrogen Selenide, protonated 1A1C3v
29 Br Bromine atom 2PKh
30 Br- Bromine atom anion 1SKh
31 Br+ Bromine atom cation 3PKh
32 HBr hydrogen bromide 1ΣC∞v
33 HBr- hydrogen bromide anion 2ΣC∞v
34 HBr+ hydrogen bromide cation 2ΠC∞v
35 H2Br+ protonated hydrogen bromide 2A1C2v
36 GeC Germanium monocarbide 1ΣC∞v
37 GaAs Gallium arsenide 3Π 
38 GaAs Gallium arsenide 1Σ 
39 LiSe Lithium monoselenide   
40 GaO Gallium monoxide 2ΣC∞v
41 CSe Carbon monoselenide 1ΣC∞v
42 GeO Germanium monoxide 1ΣC∞v
43 GeSe Germanium monoselenide   
44 SeO Selenium monoxide 3ΣC∞v
45 Se2 Selenium diatomic 3ΣgD∞h
46 H2CSe Selenoformaldehyde   
47 H2Se2 hydrogen diselenide   
48 LiBr Lithium Bromide 1ΣC∞v
49 GaF Gallium monofluoride 1ΣC∞v
50 GaCl Gallium monochloride 1ΣGC∞v
51 GaBr Gallium monobromide   
52 CBr Carbon monobromide 2ΠC∞v
53 GeF Germanium monofluoride 2ΠC∞v
54 GeCl Germanium monochloride 2ΠC∞v
55 BrO Bromine monoxide 2ΠC∞v
56 BrO+ Bromine monoxide cation   
57 SBr Sulfur monobromide radical   
58 SBr+ Sulfur monobromide cation   
59 IO Iodine monoxide   
60 SeBr Selenium monobromide   
61 BrCl Bromine monochloride 1ΣC∞v
62 BrF Bromine monofluoride 1ΣC∞v
63 Br2 Bromine diatomic 1ΣgD∞h
64 Br2- bromine diatomic anion 2ΣuD∞h
65 Br2+ bromine diatomic cation 2ΠgD∞h
66 HSiBr monobromosilylene   
67 CH2Br bromomethyl radical   
68 CH3Br methyl bromide 1A1C3v
69 GeH3Cl monochlorogermane   
70 GeO2 Germanium dioxide 1ΣgD∞h
71 SeO2 Selenium dioxide 1A1C2v
72 BrCN Cyanogen bromide 1ΣC∞v
73 BeBr2 Beryllium bromide   
74 CaBr2 Calcium dibromide   
75 GeCl2 Germanium dichloride 1A1C2v
76 BrOO Bromine dioxide   
77 OBrO Bromine dioxide radical 2B1C2v
78 SeF2 Selenium difluoride   
79 SBr2 Sulfur dibromide   
80 SeBr2 Selenium dibromide   
81 Br3- tribromide anion   
82 CHBr2 dibromomethyl radical   
83 CH2BrCl Methane, bromochloro- 1A'Cs
84 CH2Br2 dibromomethane 1A1C2v
85 CH2ClI chloroiodomethane   
86 C2H3I Vinyl iodide   
87 C2H5Br Ethyl bromide 1A'Cs
88 As4 Arsenic tetramer 1A1Td
89 TeO3 Tellurium trioxide   
90 GaF3 Gallium trifluoride 1A1'D3h
91 GaCl3 Gallium trichloride 1A1'D3h
92 CBr3 tribromomethyl radical   
93 NBr3 Nitrogen Tribromide 1A1C3v
94 CHBrF2 Methane, bromodifluoro- 1A'Cs
95 CHBrCl2 Methane, bromodichloro- 1A'Cs
96 CH2BrCH2Br Ethane, 1,2-dibromo- 1AgC2h
97 CH2BrCH2Br Ethane, 1,2-dibromo- 1AC2
98 CF3Br Bromotrifluoromethane 1A1C3v
99 GeF4 Germanium tetrafluoride 1A1Td
100 CBr2ClF dibromochlorofluoromethane   
101 CF2I2 difluorodiiodomethane   
102 CBr4 Carbon tetrabromide 1A1Td
103 GeBr4 Germanium tetrabromide   
104 SiI4 silicon tetraiodide   
105 C2Br4 tetrabromoethene   

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 BH Boron monohydride bh  
77 BH- boron monohydride anion bh-  
78 BH+ boron monohydride cation bh+  
79 AlH aluminum monohydride alh  
80 AlH- aluminum monohydride anion alh-  
81 AlH+ aluminum monohydride cation alh+  
82 ScH Scandium monohydride sch  
83 ScH+ Scandium monohydride cation sch+  
84 BH2 boron dihydride bh2  
85 BH2- boron dihydride anion bh2-  
86 BH2+ Boron dihydride cation bh2+  
87 AlH2 aluminum dihydride alh2  
88 AlH2- aluminum dihydride anion alh2-  
89 AlH2+ aluminum dihydride cation alh2+  
90 BH3 boron trihydride bh3  
91 BH3- boron trihydride anion bh3-  
92 BH3+ boron trihydride cation bh3+  
93 AlH3 aluminum trihydride alh3  
94 AlH3- aluminum trihydride anion alh3-  
95 AlH3+ aluminum trihydride cation alh3+  
96 ScH3 Scandium trihydride sch3  
97 GaH3 Gallium trihydride gah3  
98 BH4 borohydride bh4  
99 BH4- borohydride anion bh4-  
100 AlH4- Aluminum tetrahydride anion alh4-  
101 C Carbon atom c  
102 C- Carbon atom anion c-  
103 C+ Carbon atom cation c+  
104 Si Silicon atom si  
105 Si- Silicon atom anion si-  
106 Si+ Silicon atom cation si+  
107 Ti Titanium atom ti  
108 Ti- Titanium atom anion ti-  
109 Ti+ Titanium atom cation ti+  
110 Sn Tin atom sn  
111 CH Methylidyne ch  
112 CH- methylidyne anion ch-  
113 CH+ Methylidyne cation ch+  
114 SiH Silylidyne sih  
115 SiH- silicon monohydride anion sih-  
116 SiH+ silicon monohydride cation sih+  
117 GeH+ Germaniun monohyrdide cation geh+  
118 CH2 Methylene ch2  
119 CH2- methylene anion ch2-  
120 CH2+ methylene cation ch2+  
121 SiH2 silicon dihydride sih2  
122 SiH2- silicon dihydride anion sih2-  
123 SiH2+ silicon dihydride cation sih2+  
124 GeH2- germylene anion geh2-  
125 CH3 Methyl radical ch3  
126 CH3- methyl anion ch3-  
127 CH3+ methyl cation ch3+  
128 SiH3 Silyl radical sih3  
129 SiH3- Silyl anion sih3-  
130 SiH3+ Silyl cation sih3+  
131 CD4 methane-d4 cd4  
132 CH2D2 methane-d2 ch2d2  
133 CH3D methane-d ch3d  
134 CH4 Methane ch4  
135 CH4- Methane anion ch4-  
136 CH4+ Methane cation ch4+  
137 CHD3 methane-d3 chd3  
138 SiH2D2 silane-d2 sih2d2  
139 SiH4 Silane sih4  
140 SiH4+ Silane cation sih4+  
141 GeH4 Germane geh4  
142 SnH4 Stannane snh4  
143 SiH5+ Silane, protonated sih5+  
144 N Nitrogen atom n  
145 N- Nitrogen atom anion n-  
146 N+ Nitrogen atom cation n+  
147 P Phosphorus atom p  
148 P- Phosphorus atom anion p-  
149 P+ Phosphorus atom cation p+  
150 V Vanadium atom v  
151 V+ Vanadium atom cation v+  
152 As- Arsenic anion as-  
153 Sb Antimony atom sb  
154 NH Imidogen nh  
155 NH- Imidogen anion nh-  
156 NH+ imidogen cation nh+  
157 PH phosphorus monohydride ph  
158 PH- phosphorus monohydride anion ph-  
159 PH+ phosphorus monohydride cation ph+  
160 AsH+ Arsenic monohydride cation ash+  
161 SbH Antimony monohydride sbh  
162 ND2 Amidogen-d2 nd2  
163 NH2 Amino radical nh2  
164 NH2- amino anion nh2-  
165 NH2+ Amino cation nh2+  
166 PH2 Phosphino radical ph2  
167 PH2- Phosphino anion ph2-  
168 PH2+ Phosphino cation ph2+  
169 AsH2 Arsenic dihydride ash2  
170 AsH2+ Arsenic dihydride cation ash2+  
171 ND3 Ammonia-d3 nd3  
172 NH3 Ammonia nh3  
173 NH3- Ammonia anion nh3-  
174 NH3+ ammonia cation nh3+  
175 PH3 Phosphine ph3  
176 PH3+ Phosphine cation ph3+  
177 SbH3 Stibine sbh3  
178 NH4 Ammonium radical nh4  
179 NH4+ ammonium cation nh4+  
180 PH4 Phosphoranyl radical ph4  
181 PH4+ phosphonium cation ph4+  
182 O Oxygen atom o  
183 O- Oxygen atom anion o-  
184 O+ Oxygen atom cation o+  
185 S Sulfur atom s  
186 S- Sulfur atom anion s-  
187 S+ Sulfur atom cation s+  
188 Cr Chromium atom cr  
189 Te Tellurium atom te  
190 Te+ Tellurium atom cation te+  
191 DO Hydroxyl-d od  
192 OH Hydroxyl radical oh  
193 OH- hydroxide anion oh-  
194 OH+ hydoxyl cation oh+  
195 DS Mercapto-d ds  
196 HS Mercapto radical hs  
197 HS- mercapto anion sh-  
198 HS+ sulfur monohydride cation sh+  
199 CrH Chromium hydride crh  
200 CrH+ Chromium hydride cation crh+  
201 TeH Telluryl radical teh  
202 D2O Deuterium oxide d2o  
203 H2O Water h2o  
204 H2O- water anion h2o-  
205 H2O+ water cation h2o+  
206 HDO Water-d1 hdo  
207 D2S Hydrogen sulfide-d2 d2s  
208 H2S Hydrogen sulfide h2s  
209 H2S- Hydrogen sulfide anion h2s-  
210 H2S+ Hydrogen sulfide cation h2s+  
211 H2Te Hydrogen Telluride h2te  
212 H3O+ hydronium cation h3o+  
213 H3S+ Sulfonium cation h3s+  
214 F Fluorine atom f  
215 F- Fluorine atom anion f-  
216 F+ Fluorine atom cation f+  
217 Cl Chlorine atom cl  
218 Cl- Chlorine atom anion cl-  
219 Cl+ Chlorine atom cation cl+  
220 Mn Manganese atom mn  
221 I Iodine atom iodine  
222 I- Iodine atom anion iodine-  
223 I+ Iodine atom cation iodine+  
224 DF Hydrofluoric acid-d df  
225 HF Hydrogen fluoride hf  
226 HF- hydrogen fluoride anion hf-  
227 HF+ hydrogen fluoride cation hf+  
228 DCl Hydrochloric acid-d dcl  
229 HCl Hydrogen chloride hcl  
230 HCl- hydrogen chloride anion hcl-  
231 HCl+ hydrogen chloride cation hcl+  
232 HI Hydrogen iodide hi  
233 HI+ Hydrogen iodide cation hi+  
234 H2F+ dihydrogen fluoride cation h2f+  
235 H2Cl+ dihydrogen monochloride cation h2cl+  
236 H2I+ Iodonium h2i+  
237 Ne Neon atom ne  
238 Ne- Neon atom anion ne-  
239 Ne+ Neon atom cation ne+  
240 Ar Argon atom ar  
241 Ar- Argon atom anion ar-  
242 Ar+ Argon atom cation ar+  
243 Fe Iron atom fe  
244 Kr Krypton atom kr  
245 Kr+ Krypton cation kr+  
246 Xe Xenon atom xe  
247 HeLi+ Helium Lithium cation heli+  
248 NeH neon hydrogen neh  
249 NeH+ neon hydrogen cation neh+  
250 ArH+ Argon hydride cation arh+  
251 KrH+ Protonated Krypton krh+  
252 XeH+ Xenon, protonated xeh+  
253 H2Ar H2 Ar dimer h2ar  
254 Co Cobalt atom cobalt  
255 Ni Nickel atom ni  
256 Li2 Lithium diatomic li2  
257 Li2- lithium diatomic anion li2-  
258 Li2+ lithium diatomic cation li2+  
259 NaLi lithium sodium lina  
260 NaLi- lithium sodium anion lina-  
261 NaLi+ lithium sodium cation lina+  
262 LiK Lithium Potassium lik  
263 Na2 Sodium diatomic na2  
264 Na2- sodium diatomic anion na2-  
265 Na2+ sodium diatomic cation na2+  
266 NaK Sodium Potassium nak  
267 NaK+ Sodium Potassium diatomic cation nak+  
268 K2 Potassium diatomic k2  
269 Cu2 Copper diatomic cu2  
270 LiBe Lithium Beryllium libe  
271 LiMg Lithium magnesium limg  
272 NaBe Sodium Beryllium nabe  
273 NaMg Sodium Magnesium namg  
274 Be2 Beryllium diatomic be2  
275 Be2- Beryllium diatomic anion be2-  
276 Be2+ Beryllium diatomic cation be2+  
277 BeMg Beryllium Magnesium bemg  
278 Mg2 Magnesium diatomic mg2  
279 Mg2- magnesium diatomic anion mg2-  
280 Mg2+ magnesium diatomic cation mg2+  
281 Ca2 Calcium diatomic ca2  
282 LiB Lithium boride lib  
283 LiAl Lithium Aluminum lial  
284 NaAl Sodium aluminum naal  
285 BeB Beryllium monoboride beb  
286 B2 Boron diatomic b2  
287 B2- Boron diatomic anion b2-  
288 B2+ Boron diatomic cation b2+  
289 BAl Boron Aluminum bal  
290 Al2 Aluminum diatomic al2  
291 Al2- aluminum diatomic anion al2-  
292 Al2+ aluminum diatomic cation al2+  
293 BGa Boron Gallium bga  
294 AlGa Aluminum Gallium alga  
295 Ga2 Gallium diatomic ga2  
296 HBBH Diborane(2) hbbh  
297 LiBH4 Lithium borohydride libh4  
298 B2H4 Diborane(4) D2d b2h4  
299 HBHHBH Diborane(4) C2V hbhhbh  
300 B2H6 Diborane b2h6  
301 B2H6+ Diborane cation b2h6  
302 Al2H6 dialane al2h6  
303 Ga2H6 digallane ga2h6  
304 LiC Lithium Carbide lic  
305 BeC Beryllium Carbide bec  
306 CaC Calcium monocarbide cac  
307 BC boron monocarbide bc  
308 BC- boron monocarbide anion bc-  
309 BC+ boron monocarbide cation bc+  
310 AlC Aluminum carbide alc  
311 BSi Boron silicide bsi  
312 C2 Carbon diatomic c2  
313 C2- carbon diatomic anion c2-  
314 C2+ carbon diatomic cation c2+  
315 SiC silicon monocarbide sic  
316 SiC- silicon monocarbide anion sic-  
317 SiC+ silicon monocarbide cation sic+  
318 Si2 Silicon diatomic si2  
319 Si2- silcon diatomic anion si2-  
320 Si2+ silcon diatomic cation si2+  
321 SiGe Silicon Germanium sige  
322 Ge2 Germanium diatomic ge2  
323 C2H Ethynyl radical c2h  
324 C2H- Ethynyl anion c2h-  
325 C2H+ Ethynyl cation c2h+  
326 ZnCH2 Zinc methylene znch2  
327 C2H2 Acetylene c2h2  
328 C2H2+ acetylene cation c2h2+  
329 CCH2 vinylidene vinylidene  
330 H2CC- vinylidene anion h2cc-  
331 HCCH- acetylene anion c2h2-  
332 Si2H2 disilyne si2h2  
333 CH3Li methyl lithium ch3li  
334 CuCH3 monomethyl copper cuch3  
335 ZnCH3 Zinc monomethyl znch3  
336 CH2BH methyleneborane ch2bh  
337 C2H3 vinyl c2h3  
338 C2H3- vinyl anion c2h3-  
339 C2H3+ vinyl cation c2h3+  
340 C2H4 Ethylene c2h4  
341 C2H4- Ethylene anion c2h4-  
342 C2H4+ Ethylene cation c2h4+  
343 CH3CH methylmethylene ch3ch  
344 CH2SiH2 silaethylene ch2sih2  
345 Si2H4 Disilene si2h4  
346 CH3BH2 methylborane ch3bh2  
347 C2H5 Ethyl radical c2h5  
348 C2H5- Ethyl anion c2h5-  
349 C2H5+ Ethyl cation c2h5+  
350 C2H6 Ethane c2h6  
351 C2H6+ ethane cation c2h6+  
352 CH3SiH3 methyl silane ch3sih3  
353 Si2H6 disilane si2h6  
354 GeH3CH3 methyl germane geh3ch3  
355 C2H7+ Ethane, protonated c2h7+  
356 LiN Lithium Nitride lin  
357 LiN+ Lithium Nitride cation lin+  
358 LiP Lithium monophosphide lip  
359 BeN Beryllium mononitride ben  
360 BeN- Beryllium mononitride anion ben-  
361 BeN+ Beryllium mononitride cation ben+  
362 MgN Magnesium Nitride mgn  
363 BN- boron nitride anion bn-  
364 AlN- aluminum mononitride anion aln-  
365 AlN+ aluminum mononitride cation aln+  
366 BP Boron monophosphide bp  
367 AlP Aluminum monophosphide alp  
368 GaN Gallium mononitride gan  
369 GaP Gallium monophosphide gap  
370 BN boron nitride bn  
371 BN+ boron nitride cation bn+  
372 AlN Aluminum nitride aln  
373 CN Cyano radical cn  
374 CN- cyanide anion cn-  
375 CN+ Cyano cation cn+  
376 CP Carbon monophosphide cp  
377 CP- carbon monophosphide anion cp-  
378 CP+ carbon monophosphide cation cp+  
379 SiN Silicon nitride sin  
380 SiN- silicon mononitride anion sin-  
381 SiN+ silicon mononitride cation sin+  
382 SiP Silicon monophosphide sip  
383 SiP- Silicon monophosphide anion sip-  
384 SiP+ Silicon monophosphide cation sip+  
385 TiN Titanium mononitride tin  
386 N2 Nitrogen diatomic n2  
387 N2- nitrogen diatomic anion n2-  
388 N2+ diatomic nitrogen cation n2+  
389 PN Phosphorus mononitride pn  
390 PN- phosphorus nitride anion pn-  
391 PN+ phosphorus nitride cation pn+  
392 P2 Phosphorus diatomic p2  
393 P2- phosphorus diatomic anion p2-  
394 P2+ phosphorus diatomic cation p2+  
395 AsN Arsenic mononitride asn  
396 AsP Arsenic monophosphide asp  
397 SbN Antimony nitride sbn  
398 As2 Arsenic diatomic as2  
399 HNB hydrogen nitrogen boron hnb  
400 HNC hydrogen isocyanide hnc  
401 HCN Hydrogen cyanide hcn  
402 HCN- Hydrogen cyanide anion hcn-  
403 HCN+ hydrogen cyanide cation hcn+  
404 HNC+ hydrogen isocyanide cation hnc+  
405 HCP Phosphaethyne hcp  
406 HCP+ Phosphaethyne cation hcp+  
407 NNH Dinitrogen monohydride nnh  
408 NNH+ Dinitrogen monohydride cation nnh+  
409 HPO Hydrogen phosphorus oxide hpo  
410 HPO+ Hydrogen phosphorus oxide cation hpo+  
411 LiNH2 lithium amide linh2  
412 HBNH Boranimine hbnh  
413 CNH2 Aminomethylidyne radical cnh2  
414 CNH2+ N-protonated hydrogen isocyanide cnh2+  
415 H2CN Dihydrogen cyanide radical h2cn  
416 H2CN+ hydrocyanonium cation h2cn+  
417 HCNH methyleneazane hcnh  
418 HCNH+ N-protonated HCN hcnh+  
419 H2NN Isodiazene h2nn  
420 N2H2 (E)-diazene n2h2  
421 N2H2 (Z)-Diazene n2h2z  
422 N2H2+ trans-diazene cation n2h2+  
423 CH2NH Methanimine ch3n  
424 CH2NH+ Methanimine cation ch2nh+  
425 CHNH2 aminomethylene chnh2  
426 CHNH2+ Aminocarbene cation chnh2+  
427 CH2PH Phosphaethene ch3p  
428 BH2NH2 Boranamine bh2nh2  
429 CH2NH2+ methyleneamine cation ch2nh2+  
430 N2H4 Hydrazine n2h4  
431 N2H4+ hydrazine cation n2h4+  
432 P2H4 Diphosphine p2h4  
433 CH3NH2 methyl amine ch3nh2  
434 CH3NH2+ methyl amine cation ch3nh2+  
435 CH3PH2 Methyl phosphine ch3ph2  
436 SiH3NH2 Silane, amino sih3nh2  
437 N2H5+ protonated hydrazine n2h5+  
438 BH3PH3 borane phosphine bh3ph3  
439 BH3NH3 borane ammonia bh3nh3  
440 CH3NH3 methyl ammonium radical ch3nh3  
441 CH3NH3+ protonated methylamine ch3nh3+  
442 CH3PH3+ methyl phosphine, protonated ch3ph3+  
443 NH3NH3 Ammonia Dimer nh3nh3  
444 N2H7+ ammonia ammonium dimer n2h7+  
445 LiO lithium oxide lio  
446 LiO- lithium oxide anion lio-  
447 LiO+ lithium oxide cation lio+  
448 LiS Lithium monosulfide lis  
449 LiS+ Lithium sulfide cation lis+  
450 NaO sodium monoxide nao  
451 NaO- sodium oxide anion nao-  
452 NaO+ sodium oxide cation nao+  
453 KO Potassium monoxide ko  
454 KO+ Potassium monoxide cation ko+  
455 NaS Sodium sulfide nas  
456 CuO Copper Monoxide cuo  
457 BeO beryllium oxide beo  
458 BeO- Beryllium monoxide anion beo-  
459 BeO+ Beryllium monoxide cation beo+  
460 BeS beryllium sulfide bes  
461 MgO magnesium oxide mgo  
462 MgO- magnesium oxide anion mgo-  
463 MgO+ magnesium oxide cation mgo+  
464 CaO Calcium monoxide cao  
465 MgS magnesium sulfide mgs  
466 MgS- magnesium sulfide anion mgs-  
467 MgS+ magnesium sulfide cation mgs+  
468 CaS Calcium sulfide cas  
469 ZnO zinc monoxide zno  
470 ZnS Zinc sulfide zns  
471 BeS- Beryllium monosulfide anion bes-  
472 BeS+ Beryllium monosulfide cation bes+  
473 BO boron monoxide bo  
474 BO- boron monoxide anion bo-  
475 AlO Aluminum monoxide alo  
476 AlO- Aluminum monoxide anion alo-  
477 AlO+ aluminum monoxide cation alo+  
478 BS boron sulfide bs  
479 BS- boron monosulfide anion bs-  
480 BS+ boron monosulfide cation bs+  
481 AlS Aluminum sulfide als  
482 AlS- aluminum monosulfide anion als-  
483 AlS+ aluminum monosulfide cation als+  
484 ScO Scandium monoxide sco  
485 GaS Gallium monosulfide gas  
486 BO+ boron monoxide cation bo+  
487 CO Carbon monoxide co  
488 CO- carbon monoxide anion co-  
489 CO+ carbon monoxide cation co+  
490 CS carbon monosulfide cs  
491 CS- carbon monosulfide anion cs-  
492 CS+ carbon monosulfide cation cs+  
493 SiO Silicon monoxide sio  
494 SiO- silicon monoxide anion sio-  
495 SiO+ silicon monoxide cation sio+  
496 SiS silicon monosulfide sis  
497 SiS- silicon monosulfide anion sis-  
498 SiS+ silicon monosulfide cation sis+  
499 TiO Titanium monoxide tio  
500 CSe- Carbon monoselenide anion cse-  
501 CSe+ Carbon monoselenide cation cse+  
502 GeO+ Germanium monoxide cation geo+  
503 GeS Germanium monosulfide ges  
504 SiSe Silicon Monoselenide sise  
505 SiSe+ Silicon Monoselenide cation sise+  
506 NO Nitric oxide no  
507 NO- nitric oxide anion no-  
508 NO+ nitric oxide cation no+  
509 NS Mononitrogen monosulfide ns  
510 NS- nitrogen sulfide anion ns-  
511 NS+ nitrogen sulfide cation ns+  
512 PO Phosphorus monoxide po  
513 PO- phosphorus monoxide anion po-  
514 PO+ phosphorus monoxide cation po+  
515 PS phosphorus sulfide ps  
516 PS- phosphorus monosulfide anion ps-  
517 PS+ phosphorus monosulfide cation ps+  
518 VO Vanadium monoxide vo  
519 AsO Arsenic monoxide aso  
520 NSe Nitrogen monoselenide nse  
521 AsS Arsenic monosulfide ass  
522 PSe Phosphorus monoselenide pse  
523 AsSe Arsenic monoselenide asse  
524 O2 Oxygen diatomic o2  
525 O2- oxygen diatomic anion o2-  
526 O2-- dioxygen dianion o2--  
527 O2+ diatomic oxygen cation o2+  
528 SO Sulfur monoxide so  
529 SO- sulfur monoxide anion so-  
530 SO+ sulfur monoxide cation so+  
531 S2 Sulfur diatomic s2  
532 S2- sulfur diatomic anion s2-  
533 S2+ sulfur diatomic cation s2+  
534 SeO- selenium monoxide anion seo-  
535 SeO+ selenium monoxide cation seo+  
536 SeS Selenium monosulfide ses  
537 SeS- selenium monosulfide anion ses-  
538 SeS+ selenium monosulfide cation ses+  
539 TeO Tellurium monoxide teo  
540 Se2- selenium diatomic anion se2-  
541 Se2+ selenium diatomic cation se2+  
542 Te2 Tellurium diatomic te2  
543 LiOH lithium hydroxide lioh  
544 NaOH sodium hydroxide naoh  
545 KOH Potassium hydroxide koh  
546 BeOH beryllium monohydroxide beoh  
547 MgOH magnesium hydroxide mgoh  
548 CaOH Calcium monohydroxide caoh  
549 HBO Boron hydride oxide hbo  
550 HBS hydrogen boron sulfide hbs  
551 COH Hydroxymethylidyne coh  
552 COH+ Carbon Monoxide, protonated coh+  
553 HCO Formyl radical hco  
554 HCO- formyl anion hco-  
555 HCO+ Formyl cation hco+  
556 HCS Thioformyl radical hcs  
557 HCS- Thioformyl anion hcs-  
558 HCS+ Thioformyl cation hcs+  
559 HNO Nitrosyl hydride hno  
560 HNO- Nitrosyl hydride anion hno-  
561 HNO+ Nitrosyl hydride cation hno+  
562 NOH Hydroxyimidogen noh  
563 NOH+ O-protonated nitric oxide noh+  
564 HNS Sulfur imide hns  
565 HNS- Sulfur imide anion hns-  
566 HO2 Hydroperoxy radical ho2  
567 HO2- Hydroperoxy anion ho2-  
568 HO2+ Hydroperoxy cation ho2+  
569 HSO+ Sulfur Monoxide, S-protonated HSO+  
570 SOH Sulfur Hydroxide soh  
571 SOH+ Sulfur Monoxide, protonated soh+  
572 HS2 Thiosulfeno radical hs2  
573 H2CO Formaldehyde h2co  
574 H2CO- formaldehyde anion h2co-  
575 H2CO+ formaldehyde cation h2co+  
576 HOCH hydroxycarbene hoch  
577 H2CS Thioformaldehyde h2cs  
578 H2CS- thioformaldehyde anion h2cs-  
579 H2CS+ thioformaldehyde cation h2cs+  
580 H2NO nitroxide h2no  
581 H2O2 Hydrogen peroxide h2o2  
582 H2O2+ Hydrogen peroxide cation h2o2+  
583 H2OO water oxide h2oo  
584 HOSH hydrogen thioperoxide hosh  
585 H2S2 Disulfane h2s2  
586 H2S2+ hydrogen disulfide cation h2s2+  
587 CH2OH Hydroxymethyl radical ch2oh  
588 CH2OH+ hydroxymethyl cation ch2oh+  
589 CH3O Methoxy radical ch3o  
590 CH3O- methoxy anion ch3o-  
591 CH3O+ Methoxy cation ch3o+  
592 CH3S thiomethoxy ch3s  
593 H2CSH+ Thioformaldehyde, protonated h2csh+  
594 NH2OH hydroxylamine nh2oh  
595 NH2OH+ Hydroxylamine cation nh2oh+  
596 NH3O Ammonia Oxide nh3o  
597 H2POH Phosphinous acid h2poh  
598 H3PO Phosphine oxide h3po  
599 NH2SH Thiohydroxylamine nh2sh  
600 NH3S sulfidoazane nh3s  
601 H3O2+ hydrogen peroxide, protonated h3o2+  
602 CH3OH Methyl alcohol ch3oh  
603 CH3OH- Methyl alcohol anion ch3oh-  
604 CH3OH+ Methyl alcohol cation ch3oh+  
605 CH3SH Methanethiol ch3sh  
606 CH3SH+ Methanethiol cation ch3sh+  
607 SiH3OH silanol sih3oh  
608 CH3SeH Methane selenol ch3seh  
609 NH2OH2+ protonated hydroxylamine nh2oh2+  
610 NH3OH+ N-protonated hydroxylamine nh3oh+  
611 H2OH2O water dimer h2oh2o  
612 CH3OH2+ Methanol, protonated ch3oh2+  
613 CH3SH2+ protonated methylsulfide ch3sh2+  
614 H2ONH3 Water Ammonia Dimer h2onh3  
615 H5O2+ Dihydroxonium ion h5o2+  
616 LiF lithium fluoride lif  
617 LiCl lithium chloride licl  
618 LiCl- lithium chloride anion licl-  
619 LiCl+ lithium chloride cation licl+  
620 NaF sodium fluoride naf  
621 NaF- sodium fluoride anion naf-  
622 NaF+ sodium fluoride cation naf+  
623 KF Potassium Fluoride kf  
624 NaCl Sodium Chloride nacl  
625 NaCl- sodium chloride anion nacl-  
626 NaCl+ sodium chloride cation nacl+  
627 KCl Potassium Chloride kcl  
628 CuF Copper monofluoride cuf  
629 LiBr- lithium bromide anion libr-  
630 LiBr+ lithium bromide cation libr+  
631 CuCl Copper monochloride cucl  
632 NaBr Sodium Bromide nabr  
633 NaBr- sodium bromide anion nabr-  
634 NaBr+ sodium bromide cation nabr+  
635 KBr Potassium Bromide kbr  
636 LiI Lithium Iodide lii  
637 NaI Sodium Iodide nai  
638 KI Potassium Iodide ki  
639 LiF- lithium fluoride anion lif-  
640 LiF+ lithium fluoride cation lif+  
641 BeF Beryllium monofluoride bef  
642 BeF- Beryllium monofluoride anion bef-  
643 BeF+ Beryllium monofluoride cation bef+  
644 BeCl beryllium monochloride becl  
645 MgF Magnesium monofluoride mgf  
646 MgF- magnesium fluoride anion mgf-  
647 MgF+ magnesium fluoride cation mgf+  
648 CaF Calcium monofluoride caf  
649 MgCl magnesium monochloride mgcl  
650 MgCl- magnesium monochloride anion mgcl-  
651 MgCl+ magnesium monochloride cation mgcl+  
652 CaCl calcium monochloride cacl  
653 TiCl Titanium Monochloride ticl  
654 ZnF Zinc monofluoride znf  
655 ZnF- Zinc monofluoride anion znf-  
656 ZnF+ Zinc monofluoride cation znf+  
657 ZnCl Zinc monochloride zncl  
658 CaBr Calcium monobromide cabr  
659 BeCl- beryllium monochloride anion becl-  
660 BeCl+ beryllium monochloride cation becl+  
661 BF Boron monofluoride bf  
662 BF- Boron monofluoride anion bf-  
663 BF+ Boron monofluoride cation bf+  
664 AlF Aluminum monofluoride alf  
665 AlF- Aluminum monofluoride anion alf-  
666 AlF+ Aluminum monofluoride cation alf+  
667 BCl boron monochloride bcl  
668 BCl- boron monochloride anion bcl-  
669 BCl+ boron monochloride cation bcl+  
670 AlCl Aluminum monochloride alcl  
671 AlCl- aluminum monochloride anion alcl-  
672 AlCl+ aluminum monochloride cation alcl+  
673 ScF Scandium monofluoride scf  
674 BBr Boron monobromide bbr  
675 GaF+ Gallium monofluoride cation gaf+  
676 AlBr Aluminum monobromide albr  
677 GaCl+ Gallium monochloride cation gacl+  
678 AlI Aluminum monoiodide ali  
679 CF Fluoromethylidyne cf  
680 CF- carbon monofluoride anion cf-  
681 CF+ carbon monofluoride cation cf+  
682 CCl carbon monochloride ccl  
683 CCl- carbon monochloride anion ccl-  
684 CCl+ carbon monochloride cation ccl+  
685 SiF silicon monofluoride sif  
686 SiF- silicon monofluoride anion sif-  
687 SiF+ silicon monofluoride cation sif+  
688 SiCl Clorosilylidyne sicl  
689 SiCl- silicon monochloride anion sicl-  
690 SiCl+ silicon monochloride cation sicl+  
691 GeF+ Germanium monofluoride cation gef+  
692 GeCl+ Germanium monochloride cation gecl+  
693 SiBr Silicon monobromide sibr  
694 SiBr+ Silicon monobromide cation sibr+  
695 NF nitrogen fluoride nf  
696 NF- nitrogen monofluorine anion nf-  
697 NF+ nitrogen monofluoirde cation nf+  
698 NCl nitrogen monochloride ncl  
699 NCl- nitrogen monochloride anion ncl-  
700 NCl+ nitrogen monochloride cation ncl+  
701 PF phosphorus monofluoride pf  
702 PF- phosphorus monofluoride anion pf-  
703 PF+ phosphorus monofluoride cation pf+  
704 PCl phosphorus chloride pcl  
705 PCl- phosphorus monochloride anion pcl-  
706 PCl+ phosphorus monochloride cation pcl+  
707 AsF Arsenic monofluoride asf  
708 NBr nitrogen monobromide nbr  
709 AsCl Arsenic monochloride ascl  
710 PBr Phosphorus monobromide pbr  
711 SbF Antimony monofluoride sbf  
712 SbCl Antimony monochloride sbcl  
713 FO Oxygen monofluoride fo  
714 FO- flourine oxide anion fo-  
715 FO+ fluorine monoxide cation fo+  
716 ClO Monochlorine monoxide clo  
717 ClO- chlorine monoxide anion clo-  
718 ClO+ chlorine monoxide cation clo+  
719 SF Monosulfur monofluoride sf  
720 SF- sulfur monofluoride anion sf-  
721 SF+ sulfur monofluoride cation sf+  
722 SCl sulfur monochloride scl  
723 SCl- sulfur monochloride anion scl-  
724 SCl+ sulfur monochloride cation scl+  
725 BrO- Bromine monoxide anion bro-  
726 SeF Selenium monofluoride sef  
727 SeCl Selenium monochloride secl  
728 F2 Fluorine diatomic f2  
729 F2- flourine diatomic anion f2-  
730 F2+ flourine diatomic cation f2+  
731 ClF Chlorine monofluoride clf  
732 ClF- clorine monofluoride anion clf-  
733 ClF+ clorine monofluoride cation clf+  
734 Cl2 Chlorine diatomic cl2  
735 Cl2- chlorine diatomic anion cl2-  
736 Cl2+ chlorine diatomic cation cl2+  
737 BrF- bromine fluoride anion brf-  
738 BrF+ bromine fluoride cation brf+  
739 BrCl- bromine chloride anion brcl-  
740 BrCl+ bromine chloride cation brcl+  
741 IF Iodine monofluoride if  
742 ICl Iodine monochloride icl  
743 IBr Iodine monobromide ibr  
744 I2 Iodine diatomic i2  
745 I2+ Iodine diatomic cation i2+  
746 HCF Fluoromethylene hcf  
747 HCCl Chloromethylene hccl  
748 HSiF fluorosilylene hsif  
749 HSiCl Chlorosilylene hsicl  
750 CHBr bromomethylene chbr  
751 HOF Hypofluorous acid hfo  
752 DOCl Hypochlorous acid-d docl  
753 HOCl hypochlorous acid hocl  
754 HOCl+ hypochlorous acid cation hocl+  
755 HOBr Hypobromous acid hobr  
756 HOBr+ Hypobromous acid cation hobr+  
757 HOI Hypoiodous acid hoi  
758 F2H+ Fluorine, protonated f2h+  
759 FHF Hydrogen difluoride fhf  
760 FHF- Hydrogen difluoride anion fhf-  
761 ClFH+ Chlorine fluoride, F-protonated clfh+  
762 FClH+ Chlorine fluoride, Cl-protonated fclh+  
763 Cl2H+ Chlorine, protonated cl2h+  
764 CH2F fluoromethyl radical ch2f  
765 CH2F+ fluoromethyl cation ch2f+  
766 CH2Cl+ chloromethyl cation ch2cl+  
767 CH2Cl chloromethyl radical ch2cl  
768 NH2F monofluoroamine nh2f  
769 NH2Cl chloramine nh2cl  
770 H2F2 Hydrogen fluoride dimer h2f2  
771 CH3F+ methyl fluoride cation ch3f+  
772 CD3F methylfluoride-d3 cd3f  
773 CH3F Methyl fluoride ch3f  
774 CD3Cl methyl chloride d3 cd3cl  
775 CH3Cl Methyl chloride ch3cl  
776 CH3Cl+ Methyl chloride cation ch3cl+  
777 SiH3F monofluorosilane sih3f  
778 SiH3Cl chlorosilane sih3cl  
779 GeH3F monofluorogermane geh3f  
780 SiH3Br bromosilane sih3br  
781 CH3I methyl iodide ch3i  
782 SiH3I Silyl Iodide sih3i  
783 NH3Cl+ protonated monochloroammonia nh3cl+  
784 CH3ClH+ methyl chloride, protonated ch3clh+  
785 NH4Cl Ammonium chloride nh4cl  
786 LiNe+ Lithium Neon cation line+  
787 Ne2 Neon diatomic ne2  
788 Ne2+ Neon diatomic cation ne2+  
789 Ar2 Argon diatomic ar2  
790 Ar2+ Argon diatomic cation ar2+  
791 Li3 Lithium trimer li3  
792 Li3+ Lithium trimer cation li3+  
793 C3 carbon trimer c3  
794 C3+ carbon trimer cation c3+  
795 SiC2 Silicon dicarbide sic2  
796 C3H3 cyclopropenyl radical cpr  
797 C3H3 Propargyl radical propargyl  
798 C3H3- Propargyl anion c3h3-  
799 C3H3+ cyclopropenyl cation cpr+  
800 C3H3+ Propargyl cation c3h3+  
801 C3H4 cyclopropene cprop  
802 CH2CCH2 allene allene  
803 CH3CCH propyne propyne  
804 C3H5 Allyl radical allyl  
805 C3H5+ Allyl cation allyl+  
806 CH3CHCH 1-propenyl radical ch3chch  
807 Zn(CH3)2 dimethyl zinc dmz  
808 C3H6 Cyclopropane c3h6  
809 CH2CHCH3 Propene propene  
810 C3H7 n-Propyl radical npropyl  
811 C3H7+ cyclopropane, protonated c3h7+  
812 CH3CHCH3 Isopropyl radical isopropyl  
813 CH3CHCH3+ Isopropyl cation prop2yl+  
814 C3H8 Propane propane  
815 SiH2(CH3)2 dimethylsilane dms  
816 Si3H8 trisilane si3h8  
817 LiCN lithium cyanide licn  
818 NaCN Sodium Cyanide nacn  
819 KCN Potassium cyanide kcn  
820 CuCN Copper cyanide cucn  
821 ZnCN Zinc monocyanide zncn  
822 ZnNC Zinc isocyanide znnc  
823 AlCN Aluminum monocyanide alcn  
824 AlNC Aluminum isocyanide alnc  
825 CN2 3H-Diazirin-3-ylidene cn2  
826 CNN Diazocarbene cnn  
827 NCN Cyanoimidogen ncn  
828 N3 azide radical n3  
829 N3- azide anion n3-  
830 N3+ azide cation n3+  
831 HCCN cyanomethylene hccn  
832 HCNN diazomethyl radical hcnn  
833 HN3 hydrogen azide hn3  
834 HN3+ Hydrazoic acid cation hn3+  
835 HNCNH diiminomethane hncnh  
836 CH2N2 diazirine ch2n2  
837 CH2NN diazomethane ch2nn  
838 NH2CN cyanamide cyanamide  
839 HNNNH+ 1,2-Triazadienium n2h3+  
840 NH2NN+ hydrazoic acid, protonated nh2nn+  
841 CH3CN Acetonitrile ch3cn  
842 CH3CN- acetonitrile anion ch3cn-  
843 CH3CN+ Acetonitrile cation ch3cn+  
844 CH3NC methyl isocyanide ch3nc  
845 CHNCH2 2H-Azirine c157164  
846 CHNHCH 1H-Azirine chnhch  
847 H2CCNH Ethenimine ch2cnh  
848 H2CNCH methyleneaminomethylene ch2nch  
849 HCCNH2 Ethynamine hccnh2  
850 HCNCH2+ 2H-Azirine cation hcnch2+  
851 HNCNH2+ diiminomethane, protonated hncnh2+  
852 NCNH3+ Cyanamide, protonated ncnh3+  
853 NH2CNH+ cyanamide, cn protonated nh2cnh+  
854 NH3CN+ cyanamide, amine protonated nh3cn+  
855 CH2CHNH vinylazine ch2chnh  
856 CH3CHN methylmethaniminyl radical ch3chn  
857 NHCHNH2 aminomethanimine cn2h4  
858 C2H5N Aziridine c2h5n  
859 CH2CHNH2 aminoethene aminoethene  
860 CH2NCH3 N-methylmethanimine nmm  
861 CH3CHNH ethanimine ethanimine  
862 NH2BHNH2 diaminoborane nh2bhnh2  
863 C2H5NH+ Protonated Aziridine c2h5nh+  
864 C2H6N+ aziridine, protonated c2h6n+  
865 NH2CH2NH2 diaminomethane nh2ch2nh2  
866 CH3CH2NH2 Ethylamine etam  
867 CH3NHCH3 Dimethylamine ch3nhch3  
868 CH3PHCH3 dimethylphosphine ch3phch3  
869 NH2CH2NH3+ diaminoethane, protonated pdam  
870 (CH3)2NH2+ dimethylammonium cation dmam  
871 CH3CH2NH3+ ethylamine, protonated pea  
872 Li2O dilithium oxide li2o  
873 Li2O+ dilithium oxide cation li2o+  
874 Li2S dilithium sulfide li2s  
875 Na2O disodium monoxide na2o  
876 Na2S Sodium sulfide na2s  
877 LiO2 Lithium dioxide lio2  
878 NaO2 Sodium superoxide nao2  
879 CCO Dicarbon monoxide cco  
880 CNO- fulminate cno-  
881 NCO isocyanato radical nco  
882 NCO- cyanate nco-  
883 SCN thiocyanato radical scn  
884 SCN- thiocyanide anion scn-  
885 BO2 Boron dioxide bo2  
886 BO2- Boron dioxide anion bo2-  
887 BO2+ Boron dioxide cation bo2+  
888 N2O Nitrous oxide n2o  
889 N2O- Nitrous oxide anion n2o-  
890 N2O+ Nitrous oxide cation n2o+  
891 NNS Nitrogen sulfide nns  
892 PPO Phosphorus oxide phosphide ppo  
893 CO2 Carbon dioxide co2  
894 CO2- Carbon dioxide anion co2-  
895 CO2+ Carbon dioxide cation co2+  
896 OCS Carbonyl sulfide cos  
897 OCS+ Carbonyl sulfide cation cos+  
898 SiO2 silicon dioxide sio2  
899 CS2 Carbon disulfide cs2  
900 CS2- Carbon disulfide anion cs2-  
901 CS2+ Carbon disulfide cation cs2+  
902 TiO2 Titanium dioxide tio2  
903 SiS2 Silicon disulfide sis2  
904 OCSe Carbonyl selenide ocse  
905 SCSe Carbon sulfide selenide scse  
906 GeS2 Germanium disulfide ges2  
907 CSe2 Carbon diselenide cse2  
908 SCTe Carbon sulfide Telluride scte  
909 NO2 Nitrogen dioxide no2  
910 NO2- Nitrogen dioxide anion no2-  
911 NO2+ Nitrogen dioxide cation no2+  
912 NSO sulfinyl amidogen NSO  
913 PO2 Phosphorus dioxide po2  
914 PO2- Phosphorus dioxide anion po2-  
915 PO2+ Phosphorus dioxide cation po2+  
916 SNO Nitrogen oxide sulfide sno  
917 AsO2 Aresenic dioxide aso2  
918 O3 Ozone o3  
919 O3- Ozone anion o3-  
920 O3+ Ozone cation o3+  
921 SO2 Sulfur dioxide so2  
922 SO2- Sulfur dioxide anion so2-  
923 SO2+ Sulfur dioxide cation so2+  
924 SSO Disulfur monoxide sso  
925 S3 Sulfur trimer s3  
926 S3- Sulfur trimer anion s3-  
927 S3+ Sulfur trimer cation s3+  
928 SeO2+ Selenium dioxide cation seo2+  
929 TeO2 Tellurium Dioxide teo2  
930 HCCO ketenyl radical ketenyl  
931 CS2H+ Carbon disulfide, protonated cs2h+  
932 HCNO fulminic acid hcno  
933 HNCO Isocyanic acid hnco  
934 HOCN cyanic acid hocn  
935 HNCS Isothiocyanic acid hncs  
936 HSCN thiocyanic acid hscn  
937 HCO2- formate anion hco2-  
938 HNNO nitrosoazane hnno  
939 HNNO+ Nitrous oxide, N-protonated hnno+  
940 NNOH+ Nitrous Oxide, O-protonated nnoh+  
941 HCOO formate neutral radical hcoo  
942 HOCO Hydrocarboxyl radical hoco  
943 HOCO+ Hydrocarboxyl cation hoco+  
944 HNO2 Nitrous acid hno2  
945 HNO2+ nitrous acid cation hno2+  
946 O3H+ protonated ozone o3h+  
947 SO2H+ protonated sulfur dioxide so2h+  
948 C2H2O Oxirene oxirene  
949 CH2CO Ketene ch2co  
950 CH2CO+ Ketene cation ch2co+  
951 HCCOH ethynol hccoh  
952 CH2CS Thioketene ch2cs  
953 Be(OH)2 Beryllium hydroxide beo2h2  
954 Mg(OH)2 Magnesium dihydroxide h2mgo2  
955 NH2NO Nitrosamide nh2no  
956 CH2O2 Dioxirane diox  
957 H2COO Dioxymethyl radical h2coo  
958 H2COO+ dioxymethyl cation h2coo+  
959 HCOOH Formic acid ch2o2  
960 H2O3 Hydrogen trioxide h2o3  
961 HSSSH trisulfane hsssh  
962 NaOCH3 Sodium methoxide naoch3  
963 CH2BOH hydroxy(methylene)borane ch2boh  
964 BH3CO Borane carbonyl bh3co  
965 CH3BO Borane, methyloxo- ch3bo  
966 CH2CHO Vinyloxy radical ch2cho  
967 CH2COH+ ketene, protonated ch2coh+  
968 CH3CO Acetyl radical ch3co  
969 CH3CO- Acetyl anion ch3co-  
970 CH3CO+ acetyl cation ch3co+  
971 CH2NOH formaldoxime ch2noh  
972 CH3NO nitrosomethane ch3no  
973 CHONH2 formamide formamide  
974 CNOH3 1,2-oxaziridine cnoh3  
975 HOCHNH hydroxymethylimine hochnh  
976 CHSNH2 thioformamide chsnh2  
977 NHCHSH Methanimidothioic acid nhchsh  
978 CH2OOH CH2OOH radical ch2ooh  
979 CH3OO methylperoxy radical ch3oo  
980 CH3OO- methylperoxy anion ch3oo-  
981 CH3OO+ methylperoxy cation ch3oo+  
982 C2H4O Ethylene oxide c2h4o  
983 C2H4O+ ethylene oxide cation c2h4o+  
984 CH2CHOH ethenol ch2choh  
985 CH3CHO Acetaldehyde ch3cho  
986 CH3CHO+ acetaldehyde cation ch3cho+  
987 H2COCH2+ Methyl, (methyleneoxoniumyl)- h2coch2+  
988 C2H4S Thiirane thiirane  
989 CH2CHSH Ethenethiol ch2chsh  
990 CH3CHS Thioacetaldehyde ch3chs  
991 H2CONH2+ protonated formamide h2conh2+  
992 NH2CHOH+ Formamide, O-protonated nh2choh+  
993 NH3CHO+ Formamide, N-Protonated nh3cho+  
994 CH2(OH)2 methanediol ch2o2h2  
995 CH3OOH Methyl peroxide ch3ooh  
996 CH3SSH Hydrogen methyl disulfide ch3ssh  
997 HSCH2SH Methanedithiol ch4s2  
998 H2OH2CO water formaldehyde dimer h2oh2co  
999 C2H4OH+ ethylene oxide, protonated c2h4oh+  
1000 CH2CH2OH 2-hydroxy ethyl radical ch2ch2oh  
1001 CH3CH2O Ethoxy radical ethoxy  
1002 CH3CHOH 1-hydroxy-ethyl radical ch3choh  
1003 CH3CHOH+ acetaldehyde, protonated ch3choh+  
1004 CH3OCH2 methoxymethyl radical ch3och2  
1005 NH2CH2OH aminomethanol nh2ch2oh  
1006 CH3CH2OH Ethanol etoh  
1007 CH3OCH3 Dimethyl ether meome  
1008 CH3CH2SH ethanethiol etsh  
1009 CH3SCH3 Dimethyl sulfide mesme  
1010 CH3SCH3+ dimethyl sulfide cation mesme+  
1011 CH3SeCH3 dimethylselenide dmse  
1012 CH3OHH2O methanol water dimer ch3ohh2o  
1013 H2OCH3OH water methanol dimer h2och3oh  
1014 CuF2 Copper difluoride cuf2  
1015 ZnF2 Zinc difluoride znf2  
1016 CNF iso cyanogen fluoride cnf  
1017 FCN Cyanogen fluoride fcn  
1018 ClCN chlorocyanogen clcn  
1019 ICN Cyanogen iodide icn  
1020 FBO Boron monofluoride monoxide fbo  
1021 BeF2 Beryllium fluoride bef2  
1022 MgF2 Magnesium fluoride mgf2  
1023 BeCl2 Beryllium chloride becl2  
1024 MgCl2 Magnesium dichloride mgcl2  
1025 CaCl2 Calcium Chloride cacl2  
1026 ZnCl2 Zinc dichloride zncl2  
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 FNS Thionitrosyl fluoride fns  
1035 FSN Thiazyl fluoride fsn  
1036 OPCl Phosphorus oxychloride opcl  
1037 BrNO Nitrosyl bromide brno  
1038 INO Nitrosyl iodide ino  
1039 CF2 Difluoromethylene cf2  
1040 CF2- Difluoromethylene anion cf2-  
1041 CF2+ Difluoromethylene cation cf2+  
1042 CFCl chlorofluoromethylene cfcl  
1043 SiF2 Silicon difluoride sif2  
1044 SiF2+ Silicon difluoride cation sif2+  
1045 CCl2 dichloromethylene ccl2  
1046 CCl2- dichloromethylene anion ccl2-  
1047 CCl2+ dichloromethylene cation ccl2+  
1048 SiCl2 Dichlorosilylene sicl2  
1049 GeF2 Germanium difluoride gef2  
1050 CBr2 dibromomethylene cbr2  
1051 FOO Dioxygen monofluoride radical foo  
1052 FOO+ Fluorine dioxide cation foo+  
1053 ClOO chloroperoxy radical cloo  
1054 ClOO+ chloroperoxy cation cloo+  
1055 OClO Chlorine dioxide oclo  
1056 OClO- Chlorine dioxide anion oclo-  
1057 OClO+ Chlorine dioxide cation oclo+  
1058 ClSO Sulfur chloride oxide clso  
1059 ClS2 Sulfur chloride cls2  
1060 NF2 Difluoroamino radical nf2  
1061 NF2+ Difluoroamino cation nf2+  
1062 PF2 Phosphorus difluoride pf2  
1063 PF2+ Phosphorus difluoride cation pf2+  
1064 FClO chlorosyl fluoride fclo  
1065 F2O Difluorine monoxide f2o  
1066 ClOF Chlorine hypofluorite clof  
1067 SF2 sulfur difluoride sf2  
1068 SF2- sulfur difluoride anion sf2-  
1069 SF2+ sulfur difluoride cation sf2+  
1070 Cl2O Dichlorine monoxide cl2o  
1071 SCl2 Sulfur dichloride scl2  
1072 BrOCl Bromine hypochlorite brocl  
1073 SeCl2 Selenium Dichloride secl2  
1074 BrOBr Bromine oxide brobr  
1075 F3- trifluoride anion f3-  
1076 Cl3- trichloride anion cl3-  
1077 I3- triiodide i3-  
1078 SFCl Sulfur chloride fluoride sfcl  
1079 HCCF Fluoroacetylene hccf  
1080 HCCF+ fluoroacetylene cation hccf+  
1081 HCCCl Chloroacetylene hcccl  
1082 HCCBr bromoacetylene hccbr  
1083 HFCO formyl fluoride hfco  
1084 HFCO+ formyl fluoride cation hfco+  
1085 COHCl Formyl chloride cohcl  
1086 COHBr Formyl bromide cohbr  
1087 BHF2 Difluoroborane bhf2  
1088 BHCl2 Borane, dichloro- bhcl2  
1089 CHCl2 dichloromethyl radical chcl2  
1090 CHF2 difluoromethyl radical chf2  
1091 CHF2+ difluoromethyl cation chf2+  
1092 CHFCl Chlorofluoromethyl radical chfcl  
1093 CHFCl+ Chlorofluoromethyl cation chfcl+  
1094 CHCl2+ dichloromethyl cation chcl2+  
1095 HOClO Chlorous acid hoclo  
1096 NHF2 difluoramine nhf2  
1097 NHCl2 dichloroamine nhcl2  
1098 CH2F2 Methane, difluoro- ch2f2  
1099 CH2FCl fluorochloromethane ch2fcl  
1100 SiH2F2 difluorosilane sih2f2  
1101 CH2Cl2 Methylene chloride ch2cl2  
1102 CH2BrF Methane, bromofluoro- ch2fbr  
1103 CH2FI fluoroiodomethane ch2fi  
1104 CH2BrI bromoiodomethane ch2bri  
1105 CH2I2 Diiodomethane ch2i2  
1106 SiH2Cl2 dichlorosilane sih2cl2  
1107 CH3MgBr Methyl Magnesium Bromide ch3mgbr  
1108 CH2CHF Ethene, fluoro- ch2chf  
1109 CH2CHF+ fluoroethene cation ch2chf+  
1110 C2H3Cl Ethene, chloro- ch2chcl  
1111 C2H3Br vinyl bromide c2h3br  
1112 CH2FOH fluoromethanol ch2foh  
1113 CH3OCl methyl hypochlorite ch3ocl  
1114 CH2CH2Cl 2-chloroethyl radical ch2ch2cl  
1115 CHClCH3 1-chloroethyl radical chclch3  
1116 C2H5F fluoroethane c2h5f  
1117 CH3CH2Cl Ethyl chloride c2h5cl  
1118 CH3SiFH2 fluoromethylsilane ch3sifh2  
1119 C2H5I Ethyl iodide c2h5i  
1120 KrF2 Krypton difluoride krf2  
1121 XeF2 Xenon difluoride xef2  
1122 B4H10 Tetraborane(10) b4h10  
1123 C4 Carbon tetramer c4  
1124 C4+ Carbon tetramer cation c4+  
1125 C4H2 Diacetylene c4h2  
1126 C4H2+ diacetlyene cation c4h2+  
1127 C2H3CCH 1-Buten-3-yne c2h3cch  
1128 C4H4 cyclobutadiene cbd  
1129 C4H4 Tetrahedrane c4h4  
1130 H2CCCCH2 Butatriene h2cccch2  
1131 C4H6 1-Methylcyclopropene c3100047  
1132 C4H6 Cyclobutene c822355  
1133 C4H6 Methylenecyclopropane c6142730  
1134 CH2CCHCH3 1,2-Butadiene butad12  
1135 CH2CHCHCH2 1,3-Butadiene c106990  
1136 CH3CCCH3 2-Butyne c503173  
1137 CHCCH2CH3 1-Butyne c107006  
1138 CH3CHCHCH2 methylallyl radical c4h7  
1139 C4H8 methylcyclopropane mcp  
1140 CH2C(CH3)CH3 1-Propene, 2-methyl- isobute  
1141 CH2CHCH2CH3 1-Butene bute1  
1142 CH3CHCHCH3 2-Butene, (E)- bute2e  
1143 CH3CHCHCH3 2-Butene, (Z)- bute2z  
1144 B(CH3)3 trimethylborane bme3  
1145 Al(CH3)3 trimethyl aluminum tma  
1146 C(CH3)3 Tert-butyl radical tbutyl  
1147 CH2CH(CH3)2 Isobutyl radical isobutyl  
1148 CH3CHCH2CH3 2-Butyl radical butyl2  
1149 CH3CH(CH3)CH3 Isobutane isobutane  
1150 CH3CH2CH2CH3 Butane butane  
1151 SiH(CH3)3 trimethylsilane trimsi  
1152 Li3N trilithium nitride li3n  
1153 C2N2 Cyanogen c2n2  
1154 C2N2+ Cyanogen cation c2n2+  
1155 P4 Phosphorus tetramer p4  
1156 HCCCN Cyanoacetylene hcccn  
1157 HCCCN+ Cyanoacetylene cation hcccn+  
1158 H2CNCN cyanamide, methylene ch2ncn  
1159 HNCCNH Ethenediimine hnccnh  
1160 C3H3N acrylonitrile ch2chcn  
1161 C3H3N+ acrylonitrile cation ch2chcn+  
1162 CH3N3 methyl azide ch3n3  
1163 NH2CCNH2 Diaminoacetylene daa  
1164 NH2CH2CN Aminoacetonitrile aan  
1165 CH3NHN2+ methyl azide, protonated ch3nhn2+  
1166 C2H5CN ethyl cyanide c2h5cn  
1167 CH5N3 Guanidine guanidine  
1168 C4H6 Bicyclo[1.1.0]butane c157335  
1169 CH3NNCH3 (Z)-1,2-Dimethyldiazene dmdiazz  
1170 H2NCHCHNH2 diaminoethylene dae  
1171 CH6N3+ guanidinium ch6n3+  
1172 C3H7N Cyclopropylamine cpram  
1173 CH7N3 triaminomethane tam  
1174 C3H7N Azetidine azet  
1175 C4H8 cyclobutane cbutane  
1176 C2H8N2 Ethylenediamine ethdiam  
1177 CH3NHNHCH3 dimethyl hydrazine dmh  
1178 CH3CH(NH2)CH3 2-Propanamine pram2  
1179 N(CH3)3 Trimethylamine trimeam  
1180 NH2CH2CH2CH3 1-Propanamine pram1  
1181 P(CH3)3 trimethylphosphine tmp  
1182 N(SiH3)3 trisilylamine tsa  
1183 As(CH3)3 trimethyl arsine tmas  
1184 (CH3)3NH+ protonated trimethyl amine ptma  
1185 C3H7NH3+ n-propylamine, protonated c3h7nh2  
1186 Li2O2 dilithium dioxide li2o2  
1187 Na2O2 disodium dioxide na2o2  
1188 K2O2 dipotassium dioxide k2o2  
1189 C3O Tricarbon monoxide c3o  
1190 B2O2 Diboron dioxide b2o2  
1191 ONNO NO dimer onno  
1192 S2N2 Disulfur dinitride s2n2  
1193 CO3 Carbon trioxide co3  
1194 CO3-- carbonate co3--  
1195 CS3-- Carbonotrithioate cs3--  
1196 NO3 Nitrogen trioxide no3  
1197 NO3- nitrate anion no3-  
1198 NO3+ nitrogen trioxide cation no3+  
1199 SO3 Sulfur trioxide so3  
1200 SO3- Sulfur trioxide anion so3-  
1201 SO3-- Sulfate dianion so3--  
1202 SO3+ Sulfur trioxide cation so3+  
1203 SeO3 selenium trioxide seo3  
1204 S4 Sulfur tetramer s4  
1205 HCO3- bicarbonate anion hco3-  
1206 HNO3 Nitric acid hno3  
1207 HSO3 Hydroxysulfonyl radical hso3  
1208 NH2NO2 nitramide nh2no2  
1209 C2H2CO cyclopropenone c2h2co  
1210 C3H2O Propadienal c3h2o  
1211 HCCCHO 2-propynal hcccho  
1212 C2H2O2 Ethanedial c2h2o2  
1213 C2H2O2+ Ethanedial cation c2h2o2+  
1214 H2CO3 Carbonic acid h2co3  
1215 H2CS3 thiocarbonic acid h2cs3  
1216 H2NO3+ Nitric Acid, Protonated h2no3+  
1217 H2SO3 Sulfurous acid h2so3  
1218 C2H3NO Nitrosoethylene c2h3no  
1219 CH3NCO methylisocyante ch3nco  
1220 HOCH2CN cyanomethanol hoch2cn  
1221 CH3COO- acetate anion ch3coo-  
1222 CH3NO2 Methane, nitro- ch3no2  
1223 CH3ONO Methyl nitrite ch3ono  
1224 NH2COOH Carbamic acid nh2cooh  
1225 H3BO3 Boric acid h3bo3  
1226 H3AlO3 Aluminum hydroxide h3alo3  
1227 H3CO3+ carbonic acid, protonated h3co3+  
1228 C3H4O 2-Propyn-1-ol c107197  
1229 C3H4O allenol c9000071  
1230 C3H4O Cyclopropanone cpone  
1231 C3H4O Methylketene c6004440  
1232 CH2CHCHO Acrolein c3h4o  
1233 NH2CONH2 Urea urea  
1234 NH2CONH2+ Urea cation urea+  
1235 NH2CSNH2 Thiourea thiourea  
1236 C2H4O2 1,3-dioxetane c2h4o2  
1237 CH3COOH Acetic acid ch3cooh  
1238 CH3OCHO methyl formate ch3ocho  
1239 CHOCH2OH hydroxy acetaldehyde haa  
1240 NH2COOH2+ Carbamic acid, O-protonated nh2cooh2+  
1241 NH3COOH+ protonated Carbamic acid nh3cooh+  
1242 H2OHCOOH Water formic acid dimer 1 h2ohcooh_10  
1243 H2OHCOOH Water formic acid dimer 2 h2ohcooh_11  
1244 HCOOHH2O Formic acid water dimer hcoohh2o  
1245 HOCH2OOH hydroxy methyl peroxide hoch2ooh  
1246 CH3COCH2 Acetonyl radical ch3coch2  
1247 CH2C(OH)NH2 1-amino vinyl alchohol ava  
1248 CH3C(OH)=NH Ethaninidic acid eia  
1249 CH3CHNOH Acetaldoxime acetaldoxime  
1250 CH3CONH2 Acetamide acetamide  
1251 HCONHCH3 N-methylformamide nmfa  
1252 CH3CSNH2 Ethanethioamide ch3csnh2  
1253 CH5N2O+ urea, N-protonated ch4n2o+  
1254 H2NCOHNH2+ urea, protonated ureah+  
1255 C2H5OO ethylperoxy radical c2h5oo  
1256 CH3NNCH3 (E)-1,2-Dimethyldiazene dmdiaze  
1257 C3H5OH Cyclopropanol cproh  
1258 C3H6O 2-Propen-1-ol c107186  
1259 C3H6O Acetone enol enol  
1260 C3H6O Oxetane oxetane  
1261 C3H6O Propylene oxide prox  
1262 CH3CH2CHO Propanal propanal  
1263 CH3COCH3 Acetone acetone  
1264 CH3COCH3- acetone anion ch3coch3-  
1265 C3H6S Thietane thietane  
1266 C3H6S Thiirane, methyl- methiirane  
1267 CH3CSCH3 Thioacetone ch3csch3  
1268 C2H6O2 1,2-Ethanediol ethdiol  
1269 CH3OOCH3 dimethylperoxide dmp  
1270 CH3SOCH3 Dimethyl sulfoxide dmso  
1271 CH2SHCH2SH 1,2-Ethanedithiol ethdisl  
1272 CH3SSCH3 Disulfide, dimethyl ch3ssch3  
1273 CH3COHCH3+ acetone, protonated acetoneh+  
1274 HOCH2CH2NH2 monoethanolamine mea  
1275 C3H7OH 1-Propanol proh  
1276 CH3CHOHCH3 Isopropyl alcohol isoproh  
1277 CH3OC2H5 Ethane, methoxy- etome  
1278 C3H7SH 1-Propanethiol prsh  
1279 CH3CHSHCH3 2-Propanethiol isoprsh  
1280 CH3SCH2CH3 Ethane, (methylthio)- etsme  
1281 H2OCH3OCH3 water dimethylether dimer h2och3och3  
1282 Li2F2 Lithium fluoride dimer li2f2  
1283 Na2F2 Sodium Fluoride Dimer na2f2  
1284 Na2Cl2 Disodium dichloride na2cl2  
1285 C2F2 difluoroacetylene c2f2  
1286 C2Cl2 dichloroacetylene c2cl2  
1287 C2Cl2+ dichloroacetylene cation c2cl2+  
1288 FNO2 Nitryl fluoride fno2  
1289 FONO Nitrosyl hypofluorite fono  
1290 ClNO2 Nitryl chloride clno2  
1291 ClONO chlorine nitrite clono  
1292 BrONO Bromine nitrite brono  
1293 N2F2 (Z)-Difluorodiazene n2f2_z  
1294 N2F2 Dinitrogen difluoride, (E)- n2f2_e  
1295 CF2O Carbonic difluoride f2co  
1296 CF2O+ Carbonic difluoride cation f2co+  
1297 COFCl Carbonic chloride fluoride cofcl  
1298 CCl2O Phosgene cl2co  
1299 Cl2CS Thiophosgene cl2cs  
1300 COBr2 Carbonic dibromide cobr2  
1301 BF3 Borane, trifluoro- bf3  
1302 BF3- Borane, trifluoro- anion bf3-  
1303 BF3+ boron trifluoride cation bf3+  
1304 AlF3 Aluminum trifluoride alf3  
1305 BClF2 Chlorodifluoroborane bclf2  
1306 AlF2Cl Aluminum chloride difluoride alclf2  
1307 ScF3 Scandium trifluoride ScF3  
1308 AlFCl2 Aluminum dichloride fluoride alcl2f  
1309 BCl3 Borane, trichloro- bcl3  
1310 BCl3+ Boron Trichloride cation bcl3+  
1311 AlCl3 Aluminum trichloride alcl3  
1312 BBr3 Boron tribromide bbr3  
1313 AlBr3 Aluminum Bromide albr3  
1314 ClO3 Chlorine trioxide clo3  
1315 ClO3- chlorate anion clo3-  
1316 BrO3- Bromate anion bro3-  
1317 CF3 Trifluoromethyl radical cf3  
1318 CF3- Trifluoromethyl anion cf3-  
1319 CF3+ Trifluoromethyl cation cf3+  
1320 CF2Cl difluorochloromethyl radical cf2cl  
1321 SiF3 Silicon trifluoride radical sif3  
1322 SiF3+ Silicon trifluoride cation sif3+  
1323 CFCl2 dichlorofluoromethyl radical cfcl2  
1324 CCl3 Trichloromethyl radical ccl3  
1325 CCl3- Trichloromethyl anion ccl3-  
1326 CCl3+ Trichloromethyl cation ccl3+  
1327 SiCl3 trichlorosilyl radical sicl3  
1328 SiCl3+ trichlorosilyl cation sicl3+  
1329 FOOF Perfluoroperoxide foof  
1330 ClO2F Chloryl fluoride clo2f  
1331 F2SO Thionyl Fluoride f2so  
1332 ClOOCl Dichlorine dioxide cloocl  
1333 FSSF Difluorodisulfane fssf  
1334 S2F2 Thio-thionyl fluoride s2f2  
1335 SOCl2 thionyl chloride socl2  
1336 SSCl2 Thiothionyl chloride sscl2  
1337 SeOCl2 selenium oxychloride seocl2  
1338 NF3 Nitrogen trifluoride nf3  
1339 NF3- Nitrogen trifluoride anion nf3-  
1340 NF3+ Nitrogen trifluoride cation nf3+  
1341 PF3 Phosphorus trifluoride pf3  
1342 NCl3 nitrogen trichloride ncl3  
1343 AsF3 Arsenic trifluoride asf3  
1344 PCl3 Phosphorus trichloride pcl3  
1345 SbF3 Antimony Trifluoride sbf3  
1346 AsCl3 Arsenous trichloride ascl3  
1347 SbCl3 Antimony Trichloride sbcl3  
1348 PBr3 Phosphorus tribromide pbr3  
1349 AsBr3 Arsenic tribromide asbr3  
1350 NI3 Nitrogen triiodide ni3  
1351 PI3 Phosphorus triiodide pi3  
1352 ClSSCl Disulfur dichloride s2cl2  
1353 SF3 Sulfur trifluoride sf3  
1354 ClF3 Chlorine trifluoride clf3  
1355 BrF3 Bromine trifluoride brf3  
1356 IF3 iodone trifluoride if3  
1357 HClO3 Chloric Acid hclo3  
1358 CHF3 Methane, trifluoro- chf3  
1359 CHF2Cl difluorochloromethane chf2cl  
1360 SiHF3 trifluorosilane sihf3  
1361 CHFCl2 fluorodichloromethane chfcl2  
1362 CDCl3 trichloromethane-d cdcl3  
1363 CHCl3 Chloroform chcl3  
1364 SiHCl3 Trichlorosilane sihcl3  
1365 CHFClBr fluorochlorobromomethane chfclbr  
1366 CHF2I difluoroiodomethane chf2i  
1367 CHBr2F dibromofluoromethane chbr2f  
1368 CHFClI fluorochloroiodomethane chfcli  
1369 CHCl2I dichloroiodomethane chcl2i  
1370 CHClBr2 Methane, dibromochloro- chclbr2  
1371 CHBr3 bromoform chbr3  
1372 CHI3 Iodoform chi3  
1373 NF3H+ protonated nitrogen trifluoride nf3h+  
1374 AsF3H+ Arsenic trifluoride, protonated asf3h+  
1375 C2H2F2 Ethene, 1,2-difluoro-, (E)- c2h2f2e  
1376 C2H2F2 Ethene, 1,2-difluoro-, (Z)- c2h2f2z  
1377 CH2CF2 Ethene, 1,1-difluoro- ch2cf2  
1378 C2H2ClF 1-chloro-1-fluoroethylene c2h2clf  
1379 CHFCHCl (E)-1-chloro-2-fluoroethene chfchcle  
1380 CHFCHClz (Z)-1-Chloro-2-fluoroethene chfchclz  
1381 CH2CCl2 Ethene, 1,1-dichloro- ch2ccl2  
1382 CHClCHCl Ethene, 1,2-dichloro-, (E)- chclchcle  
1383 CHClCHCl Ethene, 1,2-dichloro-, (Z)- chclchclz  
1384 C2H2Br2 1,1-dibromoethene c2h2br2  
1385 CHBrCHBr Ethene, 1,2-dibromo-, (E)- chbrchbre  
1386 CHBrCHBr Ethene, 1,2-dibromo-, (Z)- chbrchbrz  
1387 CH2FCHO Fluoroacetaldehyde ch2fcho  
1388 CH3COF Acetyl fluoride ch3cof  
1389 CH2ClCHO chloroacetaldehyde ch2clcho  
1390 CH3COCl Acetyl Chloride ch3cocl  
1391 C2H4F2 1,2-difluoroethane c2h4f2  
1392 CH3CHF2 Ethane, 1,1-difluoro- ch3chf2  
1393 CH2FCH2Cl Ethane, 1-chloro-2-fluoro- ch2fch2cl  
1394 CH3CHFCl Ethane, 1-chloro-1-fluoro- ch3chfcl  
1395 CH2ClCH2Cl Ethane, 1,2-dichloro- ch2clch2cl  
1396 CH3CHCl2 Ethane, 1,1-dichloro- ch3chcl2  
1397 CH2BrCH2Cl 1-bromo-2-chloroethane ch2brch2cl  
1398 CH2CFCH3 2-fluoropropene 2fpro  
1399 CH2CHCH2F Allyl Fluoride allylf  
1400 CH3CHCHF trans-1-Fluoro-1-propene propene1ft  
1401 C3H5Cl 1-Propene, 3-chloro- prop1cl3  
1402 C3H5Cl 1-chloro-1-propene(E) prop1cl1e  
1403 C3H5Cl 1-chloro-1-propene(Z) prop1cl1z  
1404 CH2FCH2OH 2-fluoroethanol ch2fch2oh  
1405 CH2ClCH2OH 2-Chloroethanol ch2clch2oh  
1406 CH2ClCH2OH2+ 2-chloroethanol, protonated ch2clch2oh2+  
1407 CH2FCH2CH3 1-Fluoropropane prf1  
1408 CH3CHFCH3 2-Fluoropropane prf2  
1409 CH2ClCH2CH3 Propane, 1-chloro- prcl1  
1410 CH3CHClCH3 Propane, 2-chloro- prcl2  
1411 CH3CH2CH2Br n-propyl bromide prbr  
1412 CH3CHBrCH3 i-propyl bromide iprbr  
1413 C3H9O+ trimethyl oxonium cation c3h9o+  
1414 B5H9 pentaborane9 b5h9  
1415 C5H4 pentatetraene ptrene  
1416 C5H5 cyclopentadienyl radical c5h5  
1417 C5H5- cylopentadienyl anion c5h5-  
1418 C5H6 1,3-Cyclopentadiene c542927  
1419 C5H6 1-Buten-3-yne, 2-methyl- c78808  
1420 C5H6 3-Penten-1-yne, (E)- c2004695  
1421 C5H6 3-Penten-1-yne, (Z)- c1574409  
1422 C5H6 Bicyclo[2.1.0]pent-2-ene c5164352  
1423 C5H6 Cyclopropylacetylene c6746947  
1424 C5H6 Propellane propellane  
1425 C5H7 1,3-pentadienyl radical pdyl  
1426 C5H7 cyclopentenyl radical cpyl  
1427 C5H8 1,2-Butadiene, 3-methyl- c598254  
1428 C5H8 1,2-Pentadiene c591957  
1429 C5H8 1,3-Butadiene, 2-methyl- c78795  
1430 C5H8 1,3-Pentadiene, (E)- c2004708  
1431 C5H8 1,3-Pentadiene, (Z)- c1574410  
1432 C5H8 1,4-Pentadiene c591935  
1433 C5H8 1-pentyne a1pentyne  
1434 C5H8 2,3-Pentadiene c591968  
1435 C5H8 Bicyclo[1.1.1]pentane bcp  
1436 C5H8 Cyclobutane, methylene- c1120565  
1437 C5H8 Cyclopentene c142290  
1438 C5H8 Ethenylcyclopropane c693867  
1439 CH3CCCH2CH3 2-Pentyne 2pentyne  
1440 C5H10 1-Butene, 2-methyl- c563462  
1441 C5H10 2-Butene, 2-methyl- c513359  
1442 C5H10 2-Pentene, (E)- c646048  
1443 C5H10 2-Pentene, (Z)- c627203  
1444 C5H10 Cyclopentane c287923  
1445 C5H10 Cyclopropane, 1,1-dimethyl- c1630940  
1446 CH2CHCH2CH2CH3 1-pentene pentene  
1447 C5H11 2-Methylbut-2-yl radical c4348350  
1448 C5H12 Butane, 2-methyl- buta2  
1449 C5H12 Pentane pentane  
1450 C5H12 Propane, 2,2-dimethyl- neopentane  
1451 Si(CH3)4 tetramethylsilane tms  
1452 N2O3 Dinitrogen trioxide n2o3  
1453 C3H2N2 Malononitrile c3h2n2  
1454 CH2N4 1H-Tetrazole 1htz  
1455 C3H3N2 imidazolyl radical im  
1456 C3H3N2- imidizolyl anion im-  
1457 C2H3N3 1H-1,2,4-Triazole c288880  
1458 C4H4N pyrrolide radical c4h4n  
1459 C4H4N- pyrrolide anion c4h4n-  
1460 C3H4N2 1H-Imidazole 1himidaz  
1461 C3H4N2 1H-Pyrazole 1hpyraz  
1462 C3H4N2 2H-Imidazole imid2h  
1463 C3H4N2 4H-Imidazole imid4h  
1464 C4H5N (E)-2-Butenenitrile c627269  
1465 C4H5N (Z)-2-Butenenitrile c1190767  
1466 C4H5N 2H-pyrrole pyrrole2  
1467 C4H5N 3H-pyrrole pyrrole3  
1468 C4H5N Cyclopropanecarbonitrile c5500210  
1469 C4H5N Pyrrole pyrrole  
1470 CH2CHCH2CN Allylcyanide ch2chch2cn  
1471 C4H6N+ pyrrole, alpha-protonated appyr  
1472 C4H6N+ pyrrole, beta-protonated bppyr  
1473 C4H6N+ pyrrole, protonated ppyr  
1474 C3H6N2 3-Aminopropionitrile c151188  
1475 CH3CH(CH3)CN Propanenitrile, 2-methyl- c4h7n  
1476 CH3CH2CH2CN Butanenitrile c109740  
1477 C5H8 Bicyclo[2.1.0]pentane c185944  
1478 C5H8 Spiropentane c157404  
1479 C4H9N Cyclobutylamine cbam  
1480 C4H9N Pyrrolidine pyrrolidine  
1481 C3H10N2 1,2-Diaminopropane diampr12  
1482 C(CH3)3NH2 2-Propanamine, 2-methyl- c75649  
1483 C(NH2)H2C(CH3)HCH3 1-Propanamine, 2-methyl- c78819  
1484 C(NH2)H2CH2CH2CH3 1-Butanamine butam1  
1485 CH3C(NH2)HCH2CH3 2-Butanamine butam2  
1486 NH(C2H5)2 diethylamine dea  
1487 NC4H12+ tetramethyl ammonium cation nc4h12+  
1488 C3O2 Carbon suboxide c3o2  
1489 C3O2+ Carbon suboxide cation c3o2+  
1490 B2O3 diboron trioxide b2o3  
1491 MgCO3 Magnesium Carbonate mgco3  
1492 BeCO3 Beryllium Carbonate beco3  
1493 CaCO3 Calcium Carbonate caco3  
1494 ONONO Nitrosyl nitrite onono  
1495 PO4--- phosphate po4---  
1496 SO4-- sulfate so4--  
1497 HOONO2 peroxy nitric acid hoono2  
1498 HSO4- bisulfate anion hso4-  
1499 C2H2N2S 1,3,4-Thiadiazole c2h2n2s  
1500 C3H2O2 Propiolic acid c3h2o2  
1501 CHOCOOH oxo acetic acid oaa  
1502 CHOOCHO diformyl ether choocho  
1503 H2SO4 Sulfuric acid h2so4  
1504 H2SeO4 Selenic acid h2seo4  
1505 C3H3NO Isoxazole isox  
1506 C3H3NO Oxazole oxazole  
1507 C3H3NS Thiazole thiazole  
1508 CH3C(O)OO acetyl peroxy radical ch3coo2  
1509 CH3NO3 Methyl nitrate ch3no3  
1510 H3PO4 Phosphoric Acid h3po4  
1511 C4H4O Furan furan  
1512 C4H4O+ Furan cation furan+  
1513 CH3COCCH 3-butyn-2-one c1423605  
1514 C4H4S Thiophene furans  
1515 C4H4Se selenophene c4h4se  
1516 C3H4O2 β–Propiolactone beta  
1517 C3H4O2 2-Propenoic acid propenoic2  
1518 C3H4O2 Methyl glyoxal megly  
1519 C3H4O2 propanedial propanedial  
1520 C3H4O2 propenalol propenalol  
1521 HOCHCCHOH allenediol aldiol  
1522 C2H4O3 1,2,3-trioxolane c2h4o3  
1523 C2H4O3 trioxolane124 triox  
1524 HOCH2COOH Hydroxyacetic acid hac  
1525 CH2CHCONH2 Acrylamide c79061  
1526 CH3OCH2CN Methoxyacetonitrile c1738369  
1527 CH5N3S Hydrazinecarbothioamide c79196  
1528 H2NCH2COOH Glycine glycine  
1529 CH3SO2NH2 methanesulfonamide ch3so2nh2  
1530 C4H6O cis-2-butenal butenal2c  
1531 C4H6O Cyclobutanone cbutone  
1532 C4H6O Furan, 2,3-dihydro- furan23h  
1533 C4H6O Furan, 2,5-dihydro- furan25h  
1534 CH2CHOCHCH2 Vinyl ether vinylether  
1535 CHOCHCHCH3 2-Butenal butenal2  
1536 C4H6S Thiophene, 2,3-dihydro- thiop23h  
1537 C4H6S Thiophene, 2,5-dihydro- thiop25h  
1538 CH2CHSCHCH2 Divinyl sulfide divis  
1539 C2H6N2O Urea, methyl- c598505  
1540 C3H6O2 1,3-Dioxolane dioxolane  
1541 CH3CH2COOH Propanoic Acid propanoic  
1542 CH3COOCH3 methyl acetate aame  
1543 HCOOC2H5 Ethyl formate faee  
1544 C2H6O2S Dimethyl sulfone c67710  
1545 CH3SSSCH3 dimethyl trisulfide c2h6s3  
1546 C3H7NO dimethylformamide dmf  
1547 C3H7NO Propanamide propanam  
1548 C2H3OC2H5 Ethene, ethoxy- c109922  
1549 C4H8O Cyclobutanol c2919235  
1550 C4H8O Furan, tetrahydro- thf  
1551 CH2C(CH3)OCH3 1-Propene, 2-methoxy- pre1meo2  
1552 CH3COCH2CH3 2-Butanone buta2one  
1553 CHOCH(CH3)CH3 Propanal, 2-methyl- c78842  
1554 CHOCH2CH2CH3 Butanal butanal  
1555 C4H8S Thiophene, tetrahydro- tht  
1556 C3H8O2 1,3-Propanediol c504632  
1557 C3H8O2 Hydroperoxide, 1-methylethyl c3031752  
1558 C3H8O2 Methane, dimethoxy- c109875  
1559 C3H8O2 Propylene glycol c57556  
1560 C3H8S2 1,3-Propanedithiol c109808  
1561 C4H10O 1-Butanol butanol1  
1562 C4H10O 1-Propanol, 2-methyl- c78831  
1563 C4H10O 2-Butanol, (.+/-.)- butanol2  
1564 C4H10O Ethanol, 1,1-dimethyl- tbuoh  
1565 C4H10O Ethoxy ethane etoet  
1566 C4H10O Methyl propyl ether meopr  
1567 C4H10O Propane, 2-methoxy- c598538  
1568 C4H10O+ 1-Butanol cation butanol1+  
1569 C(CH3)3SH 2-Propanethiol, 2-methyl- tbush  
1570 C2H5SC2H5 Diethyl sulfide etset  
1571 C4H9SH 1-Butanethiol bush  
1572 CH2(SH)CH(CH3)CH3 1-Propanethiol, 2-methyl- c513440  
1573 CH3C(SCH3)HCH3 Propane, 2-(methylthio)- mesipr  
1574 CH3CH(SH)CH2CH3 2-Butanethiol butansl2  
1575 FNO3 Fluorine nitrate fno3  
1576 ClONO2 Chlorine nitrate clono2  
1577 BrONO2 Bromine nitrate brono2  
1578 TiCl4 Titanium tetrachloride ticl4  
1579 ClO4- perchlorate anion clo4-  
1580 BF4- tetrafluoroboron anion bf4-  
1581 ClFO3 Perchloryl fluoride clfo3  
1582 SO2F2 Sulfuryl fluoride so2f2  
1583 SO2Cl2 Sulfuryl chloride so2cl2  
1584 F3NO Nitrogen trifluoride oxide f3no  
1585 F3PO Phosphoryl fluoride pf3o  
1586 Cl3PO Phosphoryl chloride pcl3o  
1587 CF4 Carbon tetrafluoride cf4  
1588 CF3Cl Methane, chlorotrifluoro- cf3cl  
1589 SiF4 Silicon tetrafluoride sif4  
1590 CF2Cl2 difluorodichloromethane cf2cl2  
1591 TiF4 Titanium tetrafluoride tif4  
1592 CFCl3 Trichloromonofluoromethane cfcl3  
1593 CCl4 Carbon tetrachloride ccl4  
1594 CCl4+ Carbon tetrachloride cation ccl4+  
1595 CBrClF2 Methane, bromochlorodifluoro- cbrclf2  
1596 SiCl4 Silane, tetrachloro- sicl4  
1597 CBrCl2F bromodichlorofluoromethane cbrcl2f  
1598 CF3I trifluoroiodomethane cf3i  
1599 CBrCl3 Methane, bromotrichloro- cbrcl3  
1600 CBr2F2 Methane, dibromodifluoro- cbr2f2  
1601 GeCl4 Germanium Tetrachloride gecl4  
1602 CBr2Cl2 dibromodichloromethane cbr2cl2  
1603 CCl3I trichloroiodomethane ccl3i  
1604 CFBr3 fluorotribromomethane cfbr3  
1605 CFClBrI fluorochlorobromoiodomethane cfclbri  
1606 CBr3Cl tribromochloromethane cbr3cl  
1607 CCl2I2 dichlorodiiodomethane ccl2i2  
1608 SiBr4 Silicon tetrabromide sibr4  
1609 CBr3I tribromoiododmethane cbr3i  
1610 CI4 tetraiodomethane ci4  
1611 ClOF3 Chlorine trifluoride oxide clof3  
1612 SF4 Sulfur tetrafluoride sf4  
1613 SeF4 Selenium tetrafluoride sef4  
1614 SCl4 Sulfur tetrachloride scl4  
1615 C2HF3 Trifluoroethylene c2hf3  
1616 C2HF3+ Trifluoroethylene cation c2hf3+  
1617 CHClCCl2 Trichloroethylene chclccl2  
1618 CHBrCF2 1-Bromo-2,2-difluoroethylene chbrcf2  
1619 HClO4 perchloric acid hclo4  
1620 HSO3F Fluorosulfonic acid hso3f  
1621 CF3OH trifluoromethanol cf3oh  
1622 CH2ClCCCl 1,3-dichloropropyne ch2clcccl  
1623 CHClCCHCl 1,3-dichloroallene chclcchcl  
1624 CHCl2CCH 3,3-dichloropropyne chcl2cch  
1625 CHCl2CHO dichloroacetaldehyde chcl2cho  
1626 PF3CH2 phosphorane, trifluoromethylene- pf3ch2  
1627 CH3CF3 Ethane, 1,1,1-trifluoro- ch3cf3  
1628 CHF2CH2F Ethane, 1,1,2-trifluoro ch2fchf2  
1629 CH3CF2Cl 1-Chloro-1,1-Difluoroethane ch3cf2cl  
1630 CH3CFCl2 1,1-Dichloro-1-fluoroethane ch3cfcl2  
1631 CH2ClCHCl2 1,1,2-trichloroethane ch2clchcl2  
1632 CH3CCl3 Ethane, 1,1,1-trichloro- ch3ccl3  
1633 SiCl3CH3 methyltrichlorosilane sicl3ch3  
1634 CH3CBr3 1,1,1-tribromoethane ch3cbr3  
1635 NH3BCl3 Amminetrichloroboron nh3bcl3  
1636 SiH3CCl3 (trichloromethyl)silane sih3ccl3  
1637 CH2CClCHCH2 1,3-Butadiene, 2-chloro- c4h5cl  
1638 C3H5ClO Oxirane, (chloromethyl)- c106898  
1639 CH2FCH2CH2F 1,3-difluoropropane ch2fch2ch2f  
1640 CH3CF2CH3 2,2-difluoropropane ch3cf2ch3  
1641 CH2ClCH2CH2Cl 1,3-dichloropropane prdicl13  
1642 CH2ClCHClCH3 Propane, 1,2-dichloro- prdicl12  
1643 CH3CCl2CH3 Propane, 2,2-dichloro- prdicl22  
1644 CHCl2CH2CH3 1,1-dichloropropane prdicl11  
1645 SiCl2(CH3)2 dichlorodimethylsilane sicl2me2  
1646 CH2CClCH2CH3 1-Butene, 2-chloro- bute1cl2  
1647 CH2CHCH2CH2Cl 1-Butene, 4-chloro- bute1cl4  
1648 CH2CHCHClCH3 1-Butene, 3-chloro- bute1cl3  
1649 CH2ClCHCHCH3 2-Butene, 1-chloro- bute2cl1  
1650 CH3CClCHCH3 2-Butene, 2-chloro-, (E)- bute2cl2e  
1651 CH3CClCHCH3 2-Butene, 2-chloro-, (Z)- bute2cl2z  
1652 CHClCHCH2CH3 (E)-1-Chloro-1-butene bute1cl1  
1653 CHClCHCH2CH3 (Z)-1-Chloro-1-butene bute1cl1z  
1654 C4H9F 1-fluorobutane butaf1  
1655 CH3CHFCH2CH3 2-fluorobutane butaf2  
1656 CH2ClCH2CH2CH3 Butane, 1-chloro- butacl1  
1657 CH3CCl(CH3)CH3 Propane, 2-chloro-2-methyl- procl2me2  
1658 CH3CHClCH2CH3 Butane, 2-chloro- butacl2  
1659 XeF4 Xenon tetrafluoride xef4  
1660 C2H2N2O Furazan furazan  
1661 CF3PH2 phosphine, (trifluoromethyl)- cf3ph2  
1662 NH3BF3 Amminetrifluoroboron nh3bf3  
1663 C6H2 hexatriyne c6h2  
1664 C6H4 (E)-Hexa-1,5-diyne-3-ene c6h4e  
1665 C6H4 (Z)-Hexa-1,5-diyne-3-ene c6h4z  
1666 C6H4 Benzyne benzyne  
1667 C6H5 phenyl phenyl  
1668 C6H5- phenyl anion phenyl-  
1669 C6H6 Prismane prismane  
1670 C6H6 1,2,4,5-Hexatetraene ht1245  
1671 C6H6 2,4-Hexadiyne hexadiyne  
1672 C6H6 3,4-Dimethylenecyclobutene cb34m  
1673 C6H6 Benzene benzene  
1674 C6H6 Benzvalene bv  
1675 C6H6 Dewar Benzene dewar  
1676 C6H6 Hexa-1,5-diene-3-yne hdy153  
1677 C6H6 Trimethylenecycopropane tmcp  
1678 C6H6+ Benzene cation c6h6+  
1679 C6H7+ benzene, protonated c6h7+  
1680 C6H8 (E)-hexa-1,3,5-triene c821078  
1681 C6H8 (E)-hexa-2,3,4-triene c59660650  
1682 C6H8 (Z)-hexa-1,3,5-triene hexatri135  
1683 C6H8 (Z)-hexa-2,3,4-triene hetr234c  
1684 C6H8 1,3-Cyclohexadiene cyhexadiene13  
1685 C6H8 1,4-Cyclohexadiene cyhexadiene14  
1686 C6H8 3-Methylenecyclopentene c930267  
1687 C6H8 Bicyclo[2.1.1]hex-2-ene c822413  
1688 C6H8 Bicyclo[2.2.0]hex-1(4)-ene c30830207  
1689 C6H8 Bicyclo[3.1.0]hex-2-ene c694019  
1690 C6H10 1,3-Hexadiene, (E)- hexdi13e  
1691 C6H10 1,3-Hexadiene, (Z)- hexdi13z  
1692 C6H10 1,4-Hexadiene, (E)- hexdi14t  
1693 C6H10 1,4-Hexadiene, (Z)- hexdi14z  
1694 C6H10 1,5-Hexadiene c592427  
1695 C6H10 1-Butyne, 3,3-dimethyl- c917920  
1696 C6H10 1-Hexyne hexyne1  
1697 C6H10 2,4-Hexadiene, (E,E)- hexdi24ee  
1698 C6H10 2,4-Hexadiene, (E,Z)- hexdi24ez  
1699 C6H10 2,4-Hexadiene, (Z,Z)- hexdi24zz  
1700 C6H10 2-Hexyne c764352  
1701 C6H10 3-Hexyne hexyne3  
1702 C6H10 cyclohexene cyclohexene  
1703 C6H10 Cyclopentene, 1-methyl- c693890  
1704 C6H10 Cyclopentene, 3-methyl- c1120623  
1705 C6H10 Cyclopentene, 4-methyl- c1759815  
1706 C4H6(CH3)2 1,1-dimethylcyclobutane dmcb11  
1707 C6H12 (1R,2R)-1,2-dimethylcyclobutane dmcb12t  
1708 C6H12 (1r,3r)-1,3-dimethylcyclobutane dmcb13t  
1709 C6H12 (E)-2-Hexene e2hexene  
1710 C6H12 (E)-3-methylpent-2-ene c616126  
1711 C6H12 (E)-hex-3-ene e3hexene  
1712 C6H12 (Z)-3-methylpent-2-ene c922623  
1713 C6H12 (Z)-hex-2-ene z2hexene  
1714 C6H12 (Z)-hex-3-ene z3hexene  
1715 C6H12 2,3-dimethylbut-1-ene c563780  
1716 C6H12 2,3-dimethyl-but-2-ene tmeet  
1717 C6H12 3-methylenepentane c760214  
1718 C6H12 cis-1,2-dimethylcyclobutane dmcb12c  
1719 C6H12 cis-1,3-dimethylcyclobutane dmcb13c  
1720 C6H12 Cyclohexane cyclohexane  
1721 C6H12 Cyclopentane, methyl- c96377  
1722 C6H12 Ethylcyclobutane c4806615  
1723 C6H12 hex-1-ene hexene1  
1724 C6H14 Butane, 2,2-dimethyl- buta22  
1725 C6H14 Butane, 2,3-dimethyl- buta23  
1726 C6H14 Hexane hexane  
1727 C6H14 Pentane, 2-methyl- penta2  
1728 C6H14 Pentane, 3-methyl- penta3  
1729 C4N2 2-Butynedinitrile c4n2  
1730 N3P3 1,3,5,2,4,6-Triazatriphosphorine n3p3  
1731 C4H2N2 Fumaronitrile c4h2n2  
1732 C2H2N4 sym-tetrazine ttz  
1733 C3H3N3 1,3,5-Triazine triazine135  
1734 CH3N5 5-Aminotetrazole c4418615  
1735 C4H4N2 1,3-Diazine diazine13  
1736 C4H4N2 Pyrazine pyrazine  
1737 C4H4N2 Pyridazine pyridazine  
1738 C4H4N2 Succinonitrile c110612  
1739 C2H4N4 1H-Tetrazole, 1-methyl- c16681779  
1740 C2H4N4 1H-Tetrazole, 5-methyl- c4076362  
1741 C2H4N4 2H-Tetrazole, 2-methyl- c16681780  
1742 C5H5N Bicyclo[1.1.0]butane-1-carbonitrile bibucn  
1743 C5H5N E-2,4-pentadienenitrile bdcn  
1744 C5H5N Pyridine pyridine  
1745 B3N3H6 borazine borazine  
1746 C6H6 Fulvene fulvene  
1747 C5H6N+ Pyridinium c5h6n  
1748 C4H6N2 1H-Imidazole, 2-methyl- c693981  
1749 C5H7N (E)-2-Pentenenitrile c26294984  
1750 C5H7N (E)-3-Pentenenitrile c16529661  
1751 C5H7N (Z)-2-Pentenenitrile c25899507  
1752 C5H7N 1H-Pyrrole, 1-methyl- c96548  
1753 C5H7N Cyclobutanecarbonitrile c4426113  
1754 C5H9N 1,2,3,6-Tetrahydropyridine c694053  
1755 C5H9N Butanenitrile, 2-methyl- c18936179  
1756 C5H9N Pentanenitrile c110598  
1757 C5H9N Propanenitrile, 2,2-dimethyl- c630182  
1758 C6H10 Bicyclo[3.1.0]hexane c285585  
1759 C5H11N Cyclopentanamine cypentam  
1760 C5H11N Piperidine piper  
1761 C4H12N2 1,2-Butanediamine c4426486  
1762 C4H12N2 2-Methyl-1,2-propanediamine c811938  
1763 Li2CO3 Lithium Carbonate li2co3  
1764 Na2CO3 Sodium Carbonate na2co3  
1765 C2O4-- oxalate anion c2o4  
1766 MgSO4 Magnesium Sulfate mgso4  
1767 N2O4 Dinitrogen tetroxide n2o4  
1768 C3H2O3 vinylene carbonate vica  
1769 C2H2O4 Oxalic Acid oxalic  
1770 C2H3NO3 Oxamic acid oxamic  
1771 C4H4O2 2(5H)-Furanone furanone  
1772 C4H4O2 2-Oxetanone, 4-methylene- c674828  
1773 C2H4N2O2 Oxalamide oxalamide  
1774 C2H4N2S2 Ethanedithioamide c79403  
1775 C2H4CO3 Ethylene carbonate etco3  
1776 C3H4O2S 2H-Thiete-1,1-dioxide c7285327  
1777 C3H4S3 1,3-Dithiolane-2-thione c822388  
1778 C2H4O4 Formic acid dimer fadimer  
1779 C4H5NO 3-Methylisoxazole isox3m  
1780 C4H5NO Isoxazole, 5-methyl- c5765446  
1781 C4H5NS 4-Methylthiazole c693958  
1782 C2H5NO3 Nitric acid, ethyl ester c625581  
1783 C5H6O 2H-Pyran pyran2  
1784 C5H6O 2-methylfuran furan2m  
1785 C5H6O 3-Methylfuran furan3m  
1786 C5H6O Pentadienal pdal  
1787 C5H6S Thiophene, 2-methyl- c554143  
1788 C5H6S Thiophene, 3-methyl- c616444  
1789 C4H6O2 γ–Butyrolactone c96480  
1790 C4H6O2 2,3-Butanedione c431038  
1791 C4H6O2 2-Propenoic acid, methyl ester c96333  
1792 C4H6O2 Crotonic Acid crot  
1793 C4H6OS 2,3-dihydrothiophene-2-ol c9000117  
1794 C4H6OS 2,5-dihydrothiophene-3-ol c9000093  
1795 C4H6OS 4,5-dihydrothiophene-2-ol c9000106  
1796 C4H6OS 4,5-dihydrothiophene-3-ol c9000082  
1797 C4H6OS Dihydro-2-(3H)-thiophenone c1003107  
1798 C4H6OS Dihydro-3-(2H)-thiophenone c1003049  
1799 C4H6OS Vinyl sulfoxide c1115157  
1800 CH6N4S Carbonothioic dihydrazide thiacarb  
1801 C2H6N2O2 (E)-Azodioxymethane c37765154  
1802 C2H6N2O2 Dimethylnitroamine c4164287  
1803 C3H6O3 1,3,5-Trioxane trioxane  
1804 C3H6S3 1,3,5-Trithiane c3h6s3  
1805 C3H6S3 Carbonotrithioic acid, dimethyl ester c2314489  
1806 C2H6O3S Sulfurous acid, dimethyl ester c616422  
1807 C4H7NO 2-Pyrrolidinone c616455  
1808 C4H7NO Ethoxyacetonitrile etoaccn  
1809 C4H7NO Methacrylamide c79390  
1810 C4H7NO Oxazole, 4,5-dihydro-2-methyl- c1120645  
1811 HCONH2CN2H4 formamide aminomethanimine dimer d13  
1812 C3H7ONO Propyl nitrite prono  
1813 CH3CH(CH3)ONO Isopropyl nitrite c541424  
1814 CH3CH(NH2)COOH Alanine alanine  
1815 CH3NHCH2COOH Sarcosine sarcosine  
1816 NH2CH2CH2COOH β–alanine betaalanine  
1817 NH2COOC2H5 Urethane urethane  
1818 C5H8O 2H-Pyran, 3,4-dihydro- c110872  
1819 C5H8O Cyclopentanone c120923  
1820 C5H8O Furan, 2,3-dihydro-5-methyl- c1487156  
1821 C5H8O Methyl cyclopropyl ketone c765435  
1822 N(CH3)2CONH2 Urea, N,N-dimethyl- c598947  
1823 NH(CH3)CONH(CH3) Urea, N,N'-dimethyl- c96311  
1824 NH2CONHC2H5 Urea, ethyl- c625525  
1825 C4H8O2 1,3-Dioxane dioxan13  
1826 C4H8O2 1,3-Dioxolane, 2-methyl- c497267  
1827 C4H8O2 1,4-Dioxane dioxan14  
1828 C4H8O2 Ethene, 1,1-dimethoxy- c922690  
1829 C4H8O2 Ethyl acetate c141786  
1830 C4H8OS s-Ethyl thioacetate c625605  
1831 C3H8O3 1,2,3-Propanetriol glycerin  
1832 C3H8O2S (Methylsulfonyl)ethane c594434  
1833 C4H9NO Butanamide c541355  
1834 C4H9NO Propanamide, 2-methyl- c563837  
1835 C5H10O 2-Butanone, 3-methyl- c563804  
1836 C5H10O 2H-Pyran, tetrahydro- c142687  
1837 C5H10O 2-methylbutyraldehyde 2meba  
1838 C5H10O 2-Pentanone mpk  
1839 C5H10O 3-Pentanone dek  
1840 C5H10O Cyclopentanol c96413  
1841 C5H10O Oxetane, 3,3-dimethyl- c6921353  
1842 C5H10O Pentanal pal  
1843 C5H10S 2H-Thiopyran, tetrahydro- c1613510  
1844 C5H10S 3-Ethylthio-1-propene c5296628  
1845 C5H10S Cyclopentanethiol c1679078  
1846 C5H10S Thiophene, tetrahydro-2-methyl- c1795091  
1847 C5H10S Thiophene, tetrahydro-3-methyl- c4740005  
1848 C4H10O2 1,1-Dimethoxyethane c534156  
1849 C4H10O2 1,3-Butanediol budiol13  
1850 C4H10O2 1,4-Butanediol budiol14  
1851 C4H10O2 Ethane, 1,2-dimethoxy- c110714  
1852 C4H10OS Diethyl sulfoxide c70291  
1853 C4H10S2 1,4-Butanedithiol budisl14  
1854 C4H11NO Diethylhydroxylamine c3710847  
1855 C5H12O 1-Butanol, 2-methyl- c137326  
1856 C5H12O 1-Butanol, 3-methyl- c123513  
1857 C5H12O 1-Pentanol pentanol1  
1858 C5H12O 2-Butanol, 3-methyl- c598754  
1859 C5H12O 2-Pentanol peol2  
1860 C5H12O 3-Pentanol pentan3ol  
1861 C5H12O Butane, 1-methoxy- meobu  
1862 C5H12O Propane, 1-ethoxy- proet  
1863 C5H12O Propane, 2-methoxy-2-methyl- c1634044  
1864 C5H12S 1-Butanethiol, 2-methyl- c1878188  
1865 C5H12S 1-Butanethiol, 3-methyl- c541311  
1866 C5H12S 1-Pentanethiol c110667  
1867 C5H12S 1-Propanethiol, 2,2-dimethyl- c1679089  
1868 C5H12S 2-Butanethiol, 2-methyl- c1679090  
1869 C5H12S 2-Butanethiol, 3-methyl- c2084186  
1870 C5H12S Butane, 1-(methylthio)- c628295  
1871 C5H12S Ethyl propyl sulfide c4110503  
1872 C5H12S Propane, 2-(ethylthio)- c5145993  
1873 C5H12S Propane, 2-methyl-2-(methylthio)- c6163640  
1874 C4F2 difluorobutadiyne c4f2  
1875 ClCOClCO Oxalyl chloride oxcl  
1876 CF3CN Acetonitrile, trifluoro- cf3cn  
1877 CF3CN+ Acetonitrile, trifluoro- cation cf3cn+  
1878 B2F4 Diboron tetrafluoride b2f4  
1879 B2Cl4 Diboron tetrachloride b2cl4  
1880 C2F4 Tetrafluoroethylene c2f4  
1881 C2F4+ Tetrafluoroethylene cation c2f4+  
1882 C2ClF3 Ethene, chlorotrifluoro- c2f3cl  
1883 CF2CCl2 difluorodichloroethylene cf2ccl2  
1884 CFClCClF trans-1,2-dichloro-1,2-difluoroethylene cfclcclf  
1885 CFClCFCl cis-1,2-dichloro-1,2-difluoroethylene cfclcfcl  
1886 C2FCl3 fluorotrichloroethene c2fcl3  
1887 C2Cl4 Tetrachloroethylene c2cl4  
1888 CF3OF Trifluoromethylhypofluorite cf3of  
1889 SiF5- silicon pentafluoride anion sif5-  
1890 SOF4 Sulfur tetrafluoride oxide sof4  
1891 PF5 Phosphorus pentafluoride pf5  
1892 AsF5 Arsenic pentafluoride asf5  
1893 PCl5 Phosphorus pentachloride pcl5  
1894 SF5 Sulfur pentafluoride sf5  
1895 SF5+ pentafluoro sulfur cation sf5+  
1896 SbCl5 Antimony pentachloride sbcl5  
1897 BrF5 bromine pentafluoride brf5  
1898 ClF5 chlorinepentafluoride clf5  
1899 IF5 pentafluoroiodine if5  
1900 CF3CHO trifluoroacetaldehyde cf3cho  
1901 CCl3CHO trichloroacetaldehyde ccl3cho  
1902 CHFClCHClF ethane, 1,2-dichloro-1,2-difluoro- chfclchclf  
1903 CF3CH2F 1,1,1,2-tetrafluoroethane cf3ch2f  
1904 CHF2CHF2 1,1,2,2-tetrafluoroethane chf2chf2  
1905 CF3CH2Cl 2,2,2-Trifluoroethyl chloride cf3ch2cl  
1906 CHFClCHFCl 1,2-dichloro-1,2-difluoroethane RR chfclchfcl  
1907 CH2ClCCl3 1,1,1,2-tetrachloroethane ch2clccl3  
1908 CHCl2CHCl2 Ethane, 1,1,2,2-tetrachloro- chcl2chcl2  
1909 CH2BrCBr3 1,1,1,2-tetrabromo ethane c2h2br4  
1910 CHCl2CHF2 1,1-dichloro-2,2-difluoroethane c2h2cl2f2  
1911 CF3COOH trifluoroacetic acid cf3cooh  
1912 C4H3ClO Furan, 2-chloro fur2cl  
1913 C4H3ClO Furan,3-chloro fur3cl  
1914 C3H5ClO2 Carbonochloridic acid, ethyl ester c541413  
1915 C3H5Cl3 Propane, 1,2,3-trichloro- prcl135  
1916 C4H8Cl2 1,4-Dichlorobutane c110565  
1917 C4H8Cl2 Butane, 1,2-dichloro- c616217  
1918 C4H8Cl2 Butane, 1,3-dichloro- c1190223  
1919 C4H8Cl2 Butane, 2,3-dichloro-, (r*,r*)-(.+/-.)- c2211678  
1920 C4H8Cl2 Butane, 2,3-dichloro-, (r*,s*)- c4028562  
1921 C4H9ClO 1-Chloro-2-ethoxyethane c628342  
1922 C5H11Cl Pentane, 1-chloro- pencl1  
1923 C4H8O2 Butanoic acid bua  
1924 C6H5CH2 benzyl radical benzyl  
1925 C7H7 cycloheptatrienyl radical c7h7  
1926 C7H7+ cycloheptatrienyl cation c7h7+  
1927 C6H5CH3 toluene toluene  
1928 C7H8 cycloheptatriene cht  
1929 C7H8 Norbornadiene norbor  
1930 C7H8 Quadricyclane qucy  
1931 C7H12 Norbornane nor  
1932 C7H14 cycloheptane c7h14  
1933 C7H16 2-methylhexane 2mhex  
1934 C7H16 3-methylhexane hex3m  
1935 C7H16 heptane heptane  
1936 CH(CN)3 tricyanomethane mecn3  
1937 HN=C=C(CN)2 Dicyanoketenimine c4hn3  
1938 C6H7N 2-Methylpyridine mp  
1939 C6H5NH2 aniline aniline  
1940 C6H13N 2-Methylpiperidine pip2m  
1941 C6H13N cyclohexanamine cham  
1942 C6H15N triethylamine tea  
1943 N2O5 Dinitrogen pentoxide n2o5  
1944 C4H2O3 Maleic Anhydride malan  
1945 C5H4O2 4-Cyclopentene-1,3-dione cpdio  
1946 C5H4O2 furfural furfural  
1947 C6H5O phenoxy radical phenoxy  
1948 C5H5NO 2(1H)-Pyridinone c72762006  
1949 C5H5NO 2(3H)-Pyridinone c9000048  
1950 C5H5NO 2(5H)-Pyridinone c9000037  
1951 C5H5NO 2-Pyridinol c109104  
1952 C5H5NO 3(2H)-Pyridinone c9000004  
1953 C5H5NO 3(4H)-Pyridinone c9000026  
1954 C5H5NO 3(6H)-Pyridinone c9000015  
1955 C5H5NO 3-Pyridinol c109002  
1956 C5H5NO 4(1H)-Pryidinone c9000060  
1957 C5H5NO 4(3H)-Pryidinone c9000059  
1958 C5H5NO 4-Pyridinol c626642  
1959 C6H5OH phenol phenol  
1960 C6H6O 2,4-Cyclohexadienone c24599573  
1961 C6H6O 2,5-Cyclohexadienone c5664335  
1962 C6H5SH Benzenethiol phsh  
1963 HO2CCHNH2CH2OH Serine serine  
1964 C5H8O2 Acetylacetone acac  
1965 C4H8O2S Sulfolane sulfolane  
1966 C7H10 Norbornene norbornene  
1967 CH(C2H3)3 trivinyl methane tvm  
1968 C6H10O cyclohexanone chexo  
1969 C6H12O hexanal c6h12o  
1970 C6H12O Oxepane oxepane  
1971 C3H7OC3H7 di-n-propyl ether propr  
1972 F2CCCF2 tetrafluoroallene pfa  
1973 CF3COO- trifluoro acetate anion cf3coo-  
1974 CF3COF trifluoroacetyl fluoride cf3cof  
1975 CF3COCl trifluoroacetyl chloride cf3cocl  
1976 PF6 Hexafluorophosphate neutral pf6  
1977 PF6- Hexafluorophosphate ion pf6-  
1978 SF6 Sulfur Hexafluoride sf6  
1979 SeF6 Selenium hexafluoride sef6  
1980 SF5Cl sulfur chloropentafluoride sf5cl  
1981 CF3CHF2 pentafluoroethane cf3chf2  
1982 CF3CHFCl 1,1,1,2-tetrafluorochloroethane cf3chfcl  
1983 CF3CHCl2 1,1-Dichloro-2,2,2-trifluoroethane cf3chcl2  
1984 CHCl2CClF2 Ethane, 1,2,2-trichloro-1,1-difluoro- chcl2cclf2  
1985 CCl3CHCl2 pentachloroethane ccl3chcl2  
1986 C6H5F Fluorobenzene bzf  
1987 C6H5Cl chlorobenzene bzcl  
1988 C6H5Br bromobenzene bzbr  
1989 C8H6 Calicene calicene  
1990 C6H5CCH phenylacetylene phac  
1991 C8H6 benzocyclobutadiene bcbd  
1992 C8H6 Pentalene pentalene  
1993 C6H5CHCH2 Styrene styrene  
1994 C8H8 cubane cubane  
1995 C8H8 cyclooctatetraene cot  
1996 C6H5CH2CH3 Ethylbenzene etbz  
1997 CH3C6H4CH3 meta-xylene mxylene  
1998 CH3C6H4CH3 paraxylene pxylene  
1999 C8H14 Bicyclo[2.2.2]octane bico222  
2000 C8H16 cyclooctane cyclooct  
2001 (CH3)3CC(CH3)3 tetramethylbutane tmb  
2002 C8H18 Octane c8h18  
2003 C6H5CN phenyl cyanide phcn  
2004 C6H12N2 Triethylenediamine ted  
2005 C4O4-- squarate dianion c4o4--  
2006 S4N4 Tetrasulfur tetranitride s4n4  
2007 S8 Octasulfur s8  
2008 C6H4O2 parabenzoquinone pbq  
2009 C4H4N2O2 Uracil uracil  
2010 C6H5CHO benzaldehyde benzal  
2011 C6H5OCH3 Anisole anisole  
2012 C5H9NO2 Proline proline  
2013 C6H12O2 Methyl pivalate c598981  
2014 C6H12O2 Hexanoic acid hexa  
2015 C4F4 tetrafluorcyclobutadiene c4f4  
2016 Al2Cl6 Aluminum, di-μ-chlorotetrachlorodi- al2cl6  
2017 CF3CF2Cl pentafluorochloroethane cf3cf2cl  
2018 CF2ClCF2Cl 1,2-Dichloro-1,1,2,2-tetrafluoroethane cf2clcf2cl  
2019 CF3CFCl2 1,1-Dichlorotetrafluoroethane cf3cfcl2  
2020 CF2ClCFCl2 Ethane, 1,1,2-trichloro-1,2,2-trifluoro- cf2clcfcl2  
2021 CF3CCl3 1,1,1-trifluoro-2,2,2-trichloroethane cf3ccl3  
2022 C2F6 hexafluoroethane c2f6  
2023 C2Cl6 hexachloroethane c2cl6  
2024 IF7 Iodine heptafluoride if7  
2025 C6H4F2 metadifluorobenzene mdfb  
2026 C6H4F2 orthodifluorobenzene odfb  
2027 C6H4F2 1,4-difluorobenzene pdfb  
2028 C6H4Cl2 1,2-dichlorobenzene dcb12  
2029 C6H4Cl2 1,3-dichlorobenzene dcb13  
2030 C6H4Cl2 1,4-dichlorobenzene dcb14  
2031 C6H5NO nitrosobenzene bzno  
2032 C9H8 Indene indene  
2033 C9H8 spiro[4.4]nona-1,3,6,8-tetraene snt  
2034 C9H12 n-propyl benzene prbz  
2035 C9H20 Nonane nonane  
2036 C(CN)4 tetracyanomethane c5n4  
2037 C5H4N4 purine purine  
2038 C8H7N Indole indole  
2039 C3H3N3O3 cyanuric acid cyanuric  
2040 C6H5NO2 Nitrobenzene c6h5no2  
2041 C6H5COOH benzoic acid benzo  
2042 CH3COC6H5 acetophenone acph  
2043 C3Cl3N3 1,3,5-Triazine, 2,4,6-trichloro- c3cl3n3  
2044 C3F6 hexafluoropropene c3f6  
2045 C6H3F3 Benzene trifluoride 123 bzf3a  
2046 C8H18O 1-Octanol octanol  
2047 C10H8 Azulene azu  
2048 C10H8 naphthalene naph  
2049 C10H10 bullvalene bullv  
2050 C10H16 adamantane adamantane  
2051 C6N4 Tetracyanoethylene tcne  
2052 C6N4- tetracyanoethylene anion tcne-  
2053 C10H22 Decane decane  
2054 C4F6 perfluorobutadiene c4f6  
2055 SF5CF3 Sulfur, pentafluoro(trifluoromethyl)- sf5cf3  
2056 C3F8 perfluoropropane c3f8  
2057 Fe(CO)5 Iron pentacarbonyl ipc  
2058 Fe(C5H5)2 ferrocene fecp2  
2059 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
2060 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
2061 C12H8 Acenaphthylene acenaph  
2062 C12H8 biphenylene biph  
2063 C12H10 biphenyl biphenyl  
2064 C12H10 Heptalene heptalene  
2065 C6H12O6 Inositol inositol  
2066 C6F6 hexafluorobenzene c6f6  
2067 S2F10 disulphur decafluoride s2f10  
2068 C13H10 Fluorene fluorene  
2069 C14H10 Anthracene anth  
2070 C14H10 Phenanthrene phenanthrene  
2071 C14H14 Bibenzyl bibenzyl  
2072 C12H10N2 azobenzene azobenzene  
2073 C6H5COC6H5 benzophenone benzophenone  
2074 C16H10 Pyrene pyrene  
2075 C18H12 Tetracene tetracene  
2076 C19H16 Triphenylmethane tpm  
2077 C24H12 Coronene coronene  
2078 C60 Buckminsterfullerene c60