return to home page Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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List of which calculations are completed at B1B95 /LANL2DZ

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count Species Name State Conformation
1 D2 Deuterium diatomic 1ΣgD∞h
2 H2 Hydrogen diatomic 1ΣgD∞h
3 HD Deuterium hydride 1ΣgD∞h
4 Li Lithium atom 2SKh
5 Li+ Lithium atom cation 1SKh
6 Na Sodium atom 2SKh
7 LiH Lithium Hydride 1ΣC∞v
8 Be Beryllium atom 1SKh
9 Be+ Beryllium atom cation 2SKh
10 Mg Magnesium atom 1SKh
11 Mg+ Magnesium atom cation 2SKh
12 B Boron atom 2PKh
13 B Boron atom 4PKh
14 B+ Boron atom cation 1SKh
15 Al Aluminum atom 2PKh
16 Al+ Aluminum atom cation 1SKh
17 C Carbon atom 3P0Kh
18 C Carbon atom 3P1Kh
19 C+ Carbon atom cation 2PKh
20 Si Silicon atom 3PKh
21 Si Silicon atom 1SKh
22 Si+ Silicon atom cation 2PKh
23 CH4 Methane 1A1Td
24 N Nitrogen atom 4SKh
25 N Nitrogen atom 2DKh
26 N+ Nitrogen atom cation 3PKh
27 ND2 Amidogen-d2 2B1C2v
28 NH3 Ammonia 1A1C3v
29 O Oxygen atom 3SKh
30 O+ Oxygen atom cation 4SKh
31 S Sulfur atom 3PKh
32 OH Hydroxyl radical 2ΠC∞v
33 DS Mercapto-d 2ΠC∞v
34 D2O Deuterium oxide 1A1C2v
35 H2O Water 1A1C2v
36 D2S Hydrogen sulfide-d2 1A1C2v
37 F Fluorine atom 2PKh
38 F+ Fluorine atom cation 3SKh
39 Cl Chlorine atom 2PKh
40 Cl+ Chlorine atom cation 3PKh
41 I Iodine atom 2PKh
42 DF Hydrofluoric acid-d 1ΣC∞v
43 HF Hydrogen fluoride 1ΣC∞v
44 DCl Hydrochloric acid-d 1ΣC∞v
45 HCl Hydrogen chloride 1ΣC∞v
46 HI Hydrogen iodide 1ΣC∞v
47 Ne Neon atom 1SKh
48 Ne+ Neon atom cation 2PKh
49 Ar Argon atom 1SKh
50 Na2 Sodium diatomic 1ΣgD∞h
51 C2H2 Acetylene 1ΣgD∞h
52 C2H4 Ethylene 1AgD2h
53 C2H6 Ethane 1A1gD3d
54 N2 Nitrogen diatomic 1ΣgD∞h
55 NNH Dinitrogen monohydride 2A'Cs
56 CO Carbon monoxide 1ΣC∞v
57 NO Nitric oxide 2ΠC∞v
58 O2 Oxygen diatomic 3ΣgD∞h
59 O2+ diatomic oxygen cation 2ΠgD∞h
60 H2CO Formaldehyde 1A1C2v
61 BF Boron monofluoride 1ΣC∞v
62 F2 Fluorine diatomic 1ΣgD∞h
63 Cl2 Chlorine diatomic 1ΣgD∞h
64 IF Iodine monofluoride 1ΣC∞v
65 ICl Iodine monochloride 1ΣC∞v
66 IBr Iodine monobromide 1ΣC∞v
67 DOCl Hypochlorous acid-d 1A'Cs
68 CH3I methyl iodide 1A1C3v
69 C3H5 Allyl radical 2A2C2v
70 C3H6 Cyclopropane 1A1'D3h
71 CH2CHCH3 Propene 1A'Cs
72 SiH2(CH3)2 dimethylsilane 1A1C2v
73 CO2 Carbon dioxide 1ΣgD∞h
74 SO2 Sulfur dioxide 1A1C2v
75 HFCO formyl fluoride 1A'Cs
76 Al(CH3)3 trimethyl aluminum 1A'C3h
77 BF3 Borane, trifluoro- 1A'D3h
78 AlF3 Aluminum trifluoride 1A1'D3h
79 C(NH2)H2CH2CH2CH3 1-Butanamine 1A'Cs
80 CH3SSSCH3 dimethyl trisulfide 1AC2
81 C4H10O 1-Propanol, 2-methyl- 1AC1
82 C5H11N Piperidine 1A'NH axial
83 C4H6OS Vinyl sulfoxide 1A'Cs
84 C7H12 Norbornane 1A1C2v
85 C6H5Br bromobenzene 1A1C2v
86 C8H7N Indole 1A'Cs

Species NOT done yet
count Species Name file name problem
1 D Deuterium atom d  
2 D- Deuterium atom anion d-  
3 D+ Deuterium atom cation d+  
4 H Hydrogen atom h  
5 H- Hydrogen atom anion h-  
6 H+ Hydrogen atom cation h+  
7 H2- hydrogen diatomic anion h2-  
8 H2+ Hydrogen cation h2+  
9 H3+ hydrogen trimer cation h3+  
10 He Helium atom he  
11 He- Helium atom anion he-  
12 He+ Helium atom cation he+  
13 HeH Helium hydride heh  
14 HeH+ Helium hydride cation heh+  
15 He2+ helium diatomic cation he2+  
16 Li- Lithium atom anion li-  
17 Na- Sodium atom anion na-  
18 Na+ Sodium atom cation na+  
19 K Potassium atom k  
20 K- Potassium atom anion k-  
21 K+ Potassium atom cation k+  
22 Cu Copper atom cu  
23 Cu- Copper atom anion cu-  
24 Cu+ Copper atom cation cu+  
25 LiH- lithium hydride anion lih-  
26 LiH+ lithium hydride cation lih+  
27 NaH sodium hydride nah  
28 NaH- sodium hydride anion nah-  
29 NaH+ sodium hydride cation nah+  
30 KH Potassium hydride kh  
31 KH+ Potassium hydrogen cation kh+  
32 CuH Copper monohydride cuh  
33 Be- Beryllium atom anion be-  
34 Mg- Magnesium atom anion mg-  
35 Ca Calcium atom ca  
36 Ca- Calcium atom anion ca-  
37 Ca+ Calcium atom cation ca+  
38 Zn Zinc atom zn  
39 Zn- Zinc atom anion zn-  
40 Zn+ Zinc atom cation zn+  
41 BeH beryllium monohydride beh  
42 BeH- berylium monohydride anion beh-  
43 BeH+ beryllium monohydride cation beh+  
44 MgH magnesium monohydride mgh  
45 MgH- magnesium monohydride anion mgh-  
46 MgH+ magnesium monohydride cation mgh+  
47 CaH Calcium monohydride cah  
48 CaH+ Calcium monohydride cation cah+  
49 TiH Titanium monohydride tih  
50 ZnH Zinc monohydride znh  
51 ZnH+ Zinc, protonated znh+  
52 BeH2 beryllium dihydride beh2  
53 BeH2+ Beryllium dihydride cation beh2+  
54 MgH2 magnesium dihydride mgh2  
55 CaH2 Calcium Hydride cah2  
56 ZnH2 Zinc hydride znh2  
57 B- Boron atom anion b-  
58 Al- Aluminum atom anion al-  
59 Sc Scandium atom sc  
60 Sc+ Scandium cation sc+  
61 Ga Gallium atom ga  
62 Ga- Gallium atom anion ga-  
63 Ga+ Gallium atom cation ga+  
64 BH Boron monohydride bh  
65 BH- boron monohydride anion bh-  
66 BH+ boron monohydride cation bh+  
67 AlH aluminum monohydride alh  
68 AlH- aluminum monohydride anion alh-  
69 AlH+ aluminum monohydride cation alh+  
70 ScH Scandium monohydride sch  
71 ScH+ Scandium monohydride cation sch+  
72 GaH Gallium monohydride gah  
73 GaH+ Gallium monohydride cation gah+  
74 BH2 boron dihydride bh2  
75 BH2- boron dihydride anion bh2-  
76 BH2+ Boron dihydride cation bh2+  
77 AlH2 aluminum dihydride alh2  
78 AlH2- aluminum dihydride anion alh2-  
79 AlH2+ aluminum dihydride cation alh2+  
80 BH3 boron trihydride bh3  
81 BH3- boron trihydride anion bh3-  
82 BH3+ boron trihydride cation bh3+  
83 AlH3 aluminum trihydride alh3  
84 AlH3- aluminum trihydride anion alh3-  
85 AlH3+ aluminum trihydride cation alh3+  
86 ScH3 Scandium trihydride sch3  
87 GaH3 Gallium trihydride gah3  
88 BH4 borohydride bh4  
89 BH4- borohydride anion bh4-  
90 AlH4- Aluminum tetrahydride anion alh4-  
91 C- Carbon atom anion c-  
92 Si- Silicon atom anion si-  
93 Ti Titanium atom ti  
94 Ti- Titanium atom anion ti-  
95 Ti+ Titanium atom cation ti+  
96 Ge Germanium atom ge  
97 Ge- Germanium anion ge-  
98 Ge+ Germanium cation ge+  
99 Sn Tin atom sn  
100 Sn+ Tin cation sn+  
101 CH Methylidyne ch  
102 CH- methylidyne anion ch-  
103 CH+ Methylidyne cation ch+  
104 SiH Silylidyne sih  
105 SiH- silicon monohydride anion sih-  
106 SiH+ silicon monohydride cation sih+  
107 GeH germylidene geh  
108 GeH+ Germaniun monohyrdide cation geh+  
109 CH2 Methylene ch2  
110 CH2- methylene anion ch2-  
111 CH2+ methylene cation ch2+  
112 SiH2 silicon dihydride sih2  
113 SiH2- silicon dihydride anion sih2-  
114 SiH2+ silicon dihydride cation sih2+  
115 GeH2 germylene geh2  
116 GeH2- germylene anion geh2-  
117 CH3 Methyl radical ch3  
118 CH3- methyl anion ch3-  
119 CH3+ methyl cation ch3+  
120 SiH3 Silyl radical sih3  
121 SiH3- Silyl anion sih3-  
122 SiH3+ Silyl cation sih3+  
123 GeH3 Germyl radical geh3  
124 GeH3+ germyl cation geh3+  
125 CD4 methane-d4 cd4  
126 CH2D2 methane-d2 ch2d2  
127 CH3D methane-d ch3d  
128 CH4- Methane anion ch4-  
129 CH4+ Methane cation ch4+  
130 CHD3 methane-d3 chd3  
131 SiH2D2 silane-d2 sih2d2  
132 SiH4 Silane sih4  
133 SiH4+ Silane cation sih4+  
134 GeH4 Germane geh4  
135 SnH4 Stannane snh4  
136 SiH5+ Silane, protonated sih5+  
137 N- Nitrogen atom anion n-  
138 P- Phosphorus atom anion p-  
139 P+ Phosphorus atom cation p+  
140 V Vanadium atom v  
141 V+ Vanadium atom cation v+  
142 As Arsenic atomic as  
143 As- Arsenic anion as-  
144 As+ Arsenic cation as+  
145 Sb Antimony atom sb  
146 NH Imidogen nh  
147 NH- Imidogen anion nh-  
148 NH+ imidogen cation nh+  
149 PH phosphorus monohydride ph  
150 PH- phosphorus monohydride anion ph-  
151 PH+ phosphorus monohydride cation ph+  
152 AsH Arsenic monohydride ash  
153 AsH+ Arsenic monohydride cation ash+  
154 SbH Antimony monohydride sbh  
155 NH2 Amino radical nh2  
156 NH2- amino anion nh2-  
157 NH2+ Amino cation nh2+  
158 PH2 Phosphino radical ph2  
159 PH2- Phosphino anion ph2-  
160 PH2+ Phosphino cation ph2+  
161 AsH2 Arsenic dihydride ash2  
162 AsH2+ Arsenic dihydride cation ash2+  
163 ND3 Ammonia-d3 nd3  
164 NH3- Ammonia anion nh3-  
165 NH3+ ammonia cation nh3+  
166 PH3 Phosphine ph3  
167 PH3+ Phosphine cation ph3+  
168 AsH3 Arsine ash3  
169 AsH3+ Arsine cation ash3+  
170 SbH3 Stibine sbh3  
171 AsH4+ Arsonium ash4+  
172 NH4 Ammonium radical nh4  
173 NH4+ ammonium cation nh4+  
174 PH4 Phosphoranyl radical ph4  
175 PH4+ phosphonium cation ph4+  
176 O- Oxygen atom anion o-  
177 S- Sulfur atom anion s-  
178 S+ Sulfur atom cation s+  
179 Cr Chromium atom cr  
180 Se Selenium atom se  
181 Se- Selenium atom anion se-  
182 Se+ Selenium atom cation se+  
183 Te Tellurium atom te  
184 Te+ Tellurium atom cation te+  
185 DO Hydroxyl-d od  
186 OH- hydroxide anion oh-  
187 OH+ hydoxyl cation oh+  
188 HS Mercapto radical hs  
189 HS- mercapto anion sh-  
190 HS+ sulfur monohydride cation sh+  
191 CrH Chromium hydride crh  
192 CrH+ Chromium hydride cation crh+  
193 HSe Selenium monohydride hse  
194 HSe- selenium monohydride anion hse-  
195 HSe+ selenium monohydride cation hse+  
196 TeH Telluryl radical teh  
197 H2O- water anion h2o-  
198 H2O+ water cation h2o+  
199 HDO Water-d1 hdo  
200 H2S Hydrogen sulfide h2s  
201 H2S- Hydrogen sulfide anion h2s-  
202 H2S+ Hydrogen sulfide cation h2s+  
203 H2Se Hydrogen selenide h2se  
204 H2Se+ Hydrogen selenide cation h2se+  
205 H2Te Hydrogen Telluride h2te  
206 H3O+ hydronium cation h3o+  
207 H3S+ Sulfonium cation h3s+  
208 H3Se+ Hydrogen Selenide, protonated h3se+  
209 F- Fluorine atom anion f-  
210 Cl- Chlorine atom anion cl-  
211 Mn Manganese atom mn  
212 Br Bromine atom br  
213 Br- Bromine atom anion br-  
214 Br+ Bromine atom cation br+  
215 I- Iodine atom anion iodine-  
216 I+ Iodine atom cation iodine+  
217 HF- hydrogen fluoride anion hf-  
218 HF+ hydrogen fluoride cation hf+  
219 HCl- hydrogen chloride anion hcl-  
220 HCl+ hydrogen chloride cation hcl+  
221 HBr hydrogen bromide hbr  
222 HBr- hydrogen bromide anion hbr-  
223 HBr+ hydrogen bromide cation hbr+  
224 HI+ Hydrogen iodide cation hi+  
225 H2F+ dihydrogen fluoride cation h2f+  
226 H2Cl+ dihydrogen monochloride cation h2cl+  
227 H2Br+ protonated hydrogen bromide h2br+  
228 H2I+ Iodonium h2i+  
229 Ne- Neon atom anion ne-  
230 Ar- Argon atom anion ar-  
231 Ar+ Argon atom cation ar+  
232 Fe Iron atom fe  
233 Kr Krypton atom kr  
234 Kr+ Krypton cation kr+  
235 Xe Xenon atom xe  
236 HeLi+ Helium Lithium cation heli+  
237 NeH neon hydrogen neh  
238 NeH+ neon hydrogen cation neh+  
239 ArH+ Argon hydride cation arh+  
240 KrH+ Protonated Krypton krh+  
241 XeH+ Xenon, protonated xeh+  
242 H2Ar H2 Ar dimer h2ar  
243 Co Cobalt atom cobalt  
244 Ni Nickel atom ni  
245 Li2 Lithium diatomic li2  
246 Li2- lithium diatomic anion li2-  
247 Li2+ lithium diatomic cation li2+  
248 NaLi lithium sodium lina  
249 NaLi- lithium sodium anion lina-  
250 NaLi+ lithium sodium cation lina+  
251 LiK Lithium Potassium lik  
252 Na2- sodium diatomic anion na2-  
253 Na2+ sodium diatomic cation na2+  
254 NaK Sodium Potassium nak  
255 NaK+ Sodium Potassium diatomic cation nak+  
256 K2 Potassium diatomic k2  
257 Cu2 Copper diatomic cu2  
258 LiBe Lithium Beryllium libe  
259 LiMg Lithium magnesium limg  
260 NaBe Sodium Beryllium nabe  
261 NaMg Sodium Magnesium namg  
262 Be2 Beryllium diatomic be2  
263 Be2- Beryllium diatomic anion be2-  
264 Be2+ Beryllium diatomic cation be2+  
265 BeMg Beryllium Magnesium bemg  
266 Mg2 Magnesium diatomic mg2  
267 Mg2- magnesium diatomic anion mg2-  
268 Mg2+ magnesium diatomic cation mg2+  
269 Ca2 Calcium diatomic ca2  
270 LiB Lithium boride lib  
271 LiAl Lithium Aluminum lial  
272 NaAl Sodium aluminum naal  
273 BeB Beryllium monoboride beb  
274 B2 Boron diatomic b2  
275 B2- Boron diatomic anion b2-  
276 B2+ Boron diatomic cation b2+  
277 BAl Boron Aluminum bal  
278 Al2 Aluminum diatomic al2  
279 Al2- aluminum diatomic anion al2-  
280 Al2+ aluminum diatomic cation al2+  
281 BGa Boron Gallium bga  
282 AlGa Aluminum Gallium alga  
283 Ga2 Gallium diatomic ga2  
284 HBBH Diborane(2) hbbh  
285 LiBH4 Lithium borohydride libh4  
286 B2H4 Diborane(4) D2d b2h4  
287 HBHHBH Diborane(4) C2V hbhhbh  
288 B2H6 Diborane b2h6  
289 B2H6+ Diborane cation b2h6  
290 Al2H6 dialane al2h6  
291 Ga2H6 digallane ga2h6  
292 LiC Lithium Carbide lic  
293 BeC Beryllium Carbide bec  
294 CaC Calcium monocarbide cac  
295 BC boron monocarbide bc  
296 BC- boron monocarbide anion bc-  
297 BC+ boron monocarbide cation bc+  
298 AlC Aluminum carbide alc  
299 BSi Boron silicide bsi  
300 C2 Carbon diatomic c2  
301 C2- carbon diatomic anion c2-  
302 C2+ carbon diatomic cation c2+  
303 SiC silicon monocarbide sic  
304 SiC- silicon monocarbide anion sic-  
305 SiC+ silicon monocarbide cation sic+  
306 Si2 Silicon diatomic si2  
307 Si2- silcon diatomic anion si2-  
308 Si2+ silcon diatomic cation si2+  
309 GeC Germanium monocarbide gec  
310 SiGe Silicon Germanium sige  
311 Ge2 Germanium diatomic ge2  
312 C2H Ethynyl radical c2h  
313 C2H- Ethynyl anion c2h-  
314 C2H+ Ethynyl cation c2h+  
315 ZnCH2 Zinc methylene znch2  
316 C2H2+ acetylene cation c2h2+  
317 CCH2 vinylidene vinylidene  
318 H2CC- vinylidene anion h2cc-  
319 HCCH- acetylene anion c2h2-  
320 Si2H2 disilyne si2h2  
321 CH3Li methyl lithium ch3li  
322 CuCH3 monomethyl copper cuch3  
323 ZnCH3 Zinc monomethyl znch3  
324 CH2BH methyleneborane ch2bh  
325 C2H3 vinyl c2h3  
326 C2H3- vinyl anion c2h3-  
327 C2H3+ vinyl cation c2h3+  
328 C2H4- Ethylene anion c2h4-  
329 C2H4+ Ethylene cation c2h4+  
330 CH3CH methylmethylene ch3ch  
331 CH2SiH2 silaethylene ch2sih2  
332 Si2H4 Disilene si2h4  
333 CH3BH2 methylborane ch3bh2  
334 C2H5 Ethyl radical c2h5  
335 C2H5- Ethyl anion c2h5-  
336 C2H5+ Ethyl cation c2h5+  
337 C2H6+ ethane cation c2h6+  
338 CH3SiH3 methyl silane ch3sih3  
339 Si2H6 disilane si2h6  
340 GeH3CH3 methyl germane geh3ch3  
341 C2H7+ Ethane, protonated c2h7+  
342 LiN Lithium Nitride lin  
343 LiN+ Lithium Nitride cation lin+  
344 LiP Lithium monophosphide lip  
345 BeN Beryllium mononitride ben  
346 BeN- Beryllium mononitride anion ben-  
347 BeN+ Beryllium mononitride cation ben+  
348 MgN Magnesium Nitride mgn  
349 BN- boron nitride anion bn-  
350 AlN- aluminum mononitride anion aln-  
351 AlN+ aluminum mononitride cation aln+  
352 BP Boron monophosphide bp  
353 AlP Aluminum monophosphide alp  
354 GaN Gallium mononitride gan  
355 GaP Gallium monophosphide gap  
356 GaAs Gallium arsenide gaas  
357 BN boron nitride bn  
358 BN+ boron nitride cation bn+  
359 AlN Aluminum nitride aln  
360 CN Cyano radical cn  
361 CN- cyanide anion cn-  
362 CN+ Cyano cation cn+  
363 CP Carbon monophosphide cp  
364 CP- carbon monophosphide anion cp-  
365 CP+ carbon monophosphide cation cp+  
366 SiN Silicon nitride sin  
367 SiN- silicon mononitride anion sin-  
368 SiN+ silicon mononitride cation sin+  
369 SiP Silicon monophosphide sip  
370 SiP- Silicon monophosphide anion sip-  
371 SiP+ Silicon monophosphide cation sip+  
372 TiN Titanium mononitride tin  
373 N2- nitrogen diatomic anion n2-  
374 N2+ diatomic nitrogen cation n2+  
375 PN Phosphorus mononitride pn  
376 PN- phosphorus nitride anion pn-  
377 PN+ phosphorus nitride cation pn+  
378 P2 Phosphorus diatomic p2  
379 P2- phosphorus diatomic anion p2-  
380 P2+ phosphorus diatomic cation p2+  
381 AsN Arsenic mononitride asn  
382 AsP Arsenic monophosphide asp  
383 SbN Antimony nitride sbn  
384 As2 Arsenic diatomic as2  
385 HNB hydrogen nitrogen boron hnb  
386 HNC hydrogen isocyanide hnc  
387 HCN Hydrogen cyanide hcn  
388 HCN- Hydrogen cyanide anion hcn-  
389 HCN+ hydrogen cyanide cation hcn+  
390 HNC+ hydrogen isocyanide cation hnc+  
391 HCP Phosphaethyne hcp  
392 HCP+ Phosphaethyne cation hcp+  
393 NNH+ Dinitrogen monohydride cation nnh+  
394 HPO Hydrogen phosphorus oxide hpo  
395 HPO+ Hydrogen phosphorus oxide cation hpo+  
396 LiNH2 lithium amide linh2  
397 HBNH Boranimine hbnh  
398 CNH2 Aminomethylidyne radical cnh2  
399 CNH2+ N-protonated hydrogen isocyanide cnh2+  
400 H2CN Dihydrogen cyanide radical h2cn  
401 H2CN+ hydrocyanonium cation h2cn+  
402 HCNH methyleneazane hcnh  
403 HCNH+ N-protonated HCN hcnh+  
404 H2NN Isodiazene h2nn  
405 N2H2 (E)-diazene n2h2  
406 N2H2 (Z)-Diazene n2h2z  
407 N2H2+ trans-diazene cation n2h2+  
408 CH2NH Methanimine ch3n  
409 CH2NH+ Methanimine cation ch2nh+  
410 CHNH2 aminomethylene chnh2  
411 CHNH2+ Aminocarbene cation chnh2+  
412 CH2PH Phosphaethene ch3p  
413 BH2NH2 Boranamine bh2nh2  
414 CH2NH2+ methyleneamine cation ch2nh2+  
415 N2H4 Hydrazine n2h4  
416 N2H4+ hydrazine cation n2h4+  
417 P2H4 Diphosphine p2h4  
418 CH3NH2 methyl amine ch3nh2  
419 CH3NH2+ methyl amine cation ch3nh2+  
420 CH3PH2 Methyl phosphine ch3ph2  
421 SiH3NH2 Silane, amino sih3nh2  
422 N2H5+ protonated hydrazine n2h5+  
423 BH3PH3 borane phosphine bh3ph3  
424 BH3NH3 borane ammonia bh3nh3  
425 CH3NH3 methyl ammonium radical ch3nh3  
426 CH3NH3+ protonated methylamine ch3nh3+  
427 CH3PH3+ methyl phosphine, protonated ch3ph3+  
428 NH3NH3 Ammonia Dimer nh3nh3  
429 N2H7+ ammonia ammonium dimer n2h7+  
430 LiO lithium oxide lio  
431 LiO- lithium oxide anion lio-  
432 LiO+ lithium oxide cation lio+  
433 LiS Lithium monosulfide lis  
434 LiS+ Lithium sulfide cation lis+  
435 NaO sodium monoxide nao  
436 NaO- sodium oxide anion nao-  
437 NaO+ sodium oxide cation nao+  
438 KO Potassium monoxide ko  
439 KO+ Potassium monoxide cation ko+  
440 NaS Sodium sulfide nas  
441 CuO Copper Monoxide cuo  
442 LiSe Lithium monoselenide lise  
443 BeO beryllium oxide beo  
444 BeO- Beryllium monoxide anion beo-  
445 BeO+ Beryllium monoxide cation beo+  
446 BeS beryllium sulfide bes  
447 MgO magnesium oxide mgo  
448 MgO- magnesium oxide anion mgo-  
449 MgO+ magnesium oxide cation mgo+  
450 CaO Calcium monoxide cao  
451 MgS magnesium sulfide mgs  
452 MgS- magnesium sulfide anion mgs-  
453 MgS+ magnesium sulfide cation mgs+  
454 CaS Calcium sulfide cas  
455 ZnO zinc monoxide zno  
456 ZnS Zinc sulfide zns  
457 BeS- Beryllium monosulfide anion bes-  
458 BeS+ Beryllium monosulfide cation bes+  
459 BO boron monoxide bo  
460 BO- boron monoxide anion bo-  
461 AlO Aluminum monoxide alo  
462 AlO- Aluminum monoxide anion alo-  
463 AlO+ aluminum monoxide cation alo+  
464 BS boron sulfide bs  
465 BS- boron monosulfide anion bs-  
466 BS+ boron monosulfide cation bs+  
467 AlS Aluminum sulfide als  
468 AlS- aluminum monosulfide anion als-  
469 AlS+ aluminum monosulfide cation als+  
470 ScO Scandium monoxide sco  
471 GaO Gallium monoxide gao  
472 GaS Gallium monosulfide gas  
473 BO+ boron monoxide cation bo+  
474 CO- carbon monoxide anion co-  
475 CO+ carbon monoxide cation co+  
476 CS carbon monosulfide cs  
477 CS- carbon monosulfide anion cs-  
478 CS+ carbon monosulfide cation cs+  
479 SiO Silicon monoxide sio  
480 SiO- silicon monoxide anion sio-  
481 SiO+ silicon monoxide cation sio+  
482 SiS silicon monosulfide sis  
483 SiS- silicon monosulfide anion sis-  
484 SiS+ silicon monosulfide cation sis+  
485 TiO Titanium monoxide tio  
486 CSe Carbon monoselenide cse  
487 CSe- Carbon monoselenide anion cse-  
488 CSe+ Carbon monoselenide cation cse+  
489 GeO Germanium monoxide geo  
490 GeO+ Germanium monoxide cation geo+  
491 GeS Germanium monosulfide ges  
492 SiSe Silicon Monoselenide sise  
493 SiSe+ Silicon Monoselenide cation sise+  
494 GeSe Germanium monoselenide gese  
495 NO- nitric oxide anion no-  
496 NO+ nitric oxide cation no+  
497 NS Mononitrogen monosulfide ns  
498 NS- nitrogen sulfide anion ns-  
499 NS+ nitrogen sulfide cation ns+  
500 PO Phosphorus monoxide po  
501 PO- phosphorus monoxide anion po-  
502 PO+ phosphorus monoxide cation po+  
503 PS phosphorus sulfide ps  
504 PS- phosphorus monosulfide anion ps-  
505 PS+ phosphorus monosulfide cation ps+  
506 VO Vanadium monoxide vo  
507 AsO Arsenic monoxide aso  
508 NSe Nitrogen monoselenide nse  
509 AsS Arsenic monosulfide ass  
510 PSe Phosphorus monoselenide pse  
511 AsSe Arsenic monoselenide asse  
512 O2- oxygen diatomic anion o2-  
513 O2-- dioxygen dianion o2--  
514 SO Sulfur monoxide so  
515 SO- sulfur monoxide anion so-  
516 SO+ sulfur monoxide cation so+  
517 S2 Sulfur diatomic s2  
518 S2- sulfur diatomic anion s2-  
519 S2+ sulfur diatomic cation s2+  
520 SeO Selenium monoxide seo  
521 SeO- selenium monoxide anion seo-  
522 SeO+ selenium monoxide cation seo+  
523 SeS Selenium monosulfide ses  
524 SeS- selenium monosulfide anion ses-  
525 SeS+ selenium monosulfide cation ses+  
526 TeO Tellurium monoxide teo  
527 Se2 Selenium diatomic se2  
528 Se2- selenium diatomic anion se2-  
529 Se2+ selenium diatomic cation se2+  
530 Te2 Tellurium diatomic te2  
531 LiOH lithium hydroxide lioh  
532 NaOH sodium hydroxide naoh  
533 KOH Potassium hydroxide koh  
534 BeOH beryllium monohydroxide beoh  
535 MgOH magnesium hydroxide mgoh  
536 CaOH Calcium monohydroxide caoh  
537 HBO Boron hydride oxide hbo  
538 HBS hydrogen boron sulfide hbs  
539 COH Hydroxymethylidyne coh  
540 COH+ Carbon Monoxide, protonated coh+  
541 HCO Formyl radical hco  
542 HCO- formyl anion hco-  
543 HCO+ Formyl cation hco+  
544 HCS Thioformyl radical hcs  
545 HCS- Thioformyl anion hcs-  
546 HCS+ Thioformyl cation hcs+  
547 HNO Nitrosyl hydride hno  
548 HNO- Nitrosyl hydride anion hno-  
549 HNO+ Nitrosyl hydride cation hno+  
550 NOH Hydroxyimidogen noh  
551 NOH+ O-protonated nitric oxide noh+  
552 HNS Sulfur imide hns  
553 HNS- Sulfur imide anion hns-  
554 HO2 Hydroperoxy radical ho2  
555 HO2- Hydroperoxy anion ho2-  
556 HO2+ Hydroperoxy cation ho2+  
557 HSO+ Sulfur Monoxide, S-protonated HSO+  
558 SOH Sulfur Hydroxide soh  
559 SOH+ Sulfur Monoxide, protonated soh+  
560 HS2 Thiosulfeno radical hs2  
561 H2CO- formaldehyde anion h2co-  
562 H2CO+ formaldehyde cation h2co+  
563 HOCH hydroxycarbene hoch  
564 H2CS Thioformaldehyde h2cs  
565 H2CS- thioformaldehyde anion h2cs-  
566 H2CS+ thioformaldehyde cation h2cs+  
567 H2CSe Selenoformaldehyde h2cse  
568 H2NO nitroxide h2no  
569 H2O2 Hydrogen peroxide h2o2  
570 H2O2+ Hydrogen peroxide cation h2o2+  
571 H2OO water oxide h2oo  
572 HOSH hydrogen thioperoxide hosh  
573 H2S2 Disulfane h2s2  
574 H2S2+ hydrogen disulfide cation h2s2+  
575 H2Se2 hydrogen diselenide h2se2  
576 CH2OH Hydroxymethyl radical ch2oh  
577 CH2OH+ hydroxymethyl cation ch2oh+  
578 CH3O Methoxy radical ch3o  
579 CH3O- methoxy anion ch3o-  
580 CH3O+ Methoxy cation ch3o+  
581 CH3S thiomethoxy ch3s  
582 H2CSH+ Thioformaldehyde, protonated h2csh+  
583 NH2OH hydroxylamine nh2oh  
584 NH2OH+ Hydroxylamine cation nh2oh+  
585 NH3O Ammonia Oxide nh3o  
586 H2POH Phosphinous acid h2poh  
587 H3PO Phosphine oxide h3po  
588 NH2SH Thiohydroxylamine nh2sh  
589 NH3S sulfidoazane nh3s  
590 H3O2+ hydrogen peroxide, protonated h3o2+  
591 CH3OH Methyl alcohol ch3oh  
592 CH3OH- Methyl alcohol anion ch3oh-  
593 CH3OH+ Methyl alcohol cation ch3oh+  
594 CH3SH Methanethiol ch3sh  
595 CH3SH+ Methanethiol cation ch3sh+  
596 SiH3OH silanol sih3oh  
597 CH3SeH Methane selenol ch3seh  
598 NH2OH2+ protonated hydroxylamine nh2oh2+  
599 NH3OH+ N-protonated hydroxylamine nh3oh+  
600 H2OH2O water dimer h2oh2o  
601 CH3OH2+ Methanol, protonated ch3oh2+  
602 CH3SH2+ protonated methylsulfide ch3sh2+  
603 H2ONH3 Water Ammonia Dimer h2onh3  
604 H5O2+ Dihydroxonium ion h5o2+  
605 LiF lithium fluoride lif  
606 LiCl lithium chloride licl  
607 LiCl- lithium chloride anion licl-  
608 LiCl+ lithium chloride cation licl+  
609 NaF sodium fluoride naf  
610 NaF- sodium fluoride anion naf-  
611 NaF+ sodium fluoride cation naf+  
612 KF Potassium Fluoride kf  
613 NaCl Sodium Chloride nacl  
614 NaCl- sodium chloride anion nacl-  
615 NaCl+ sodium chloride cation nacl+  
616 KCl Potassium Chloride kcl  
617 CuF Copper monofluoride cuf  
618 LiBr Lithium Bromide libr  
619 LiBr- lithium bromide anion libr-  
620 LiBr+ lithium bromide cation libr+  
621 CuCl Copper monochloride cucl  
622 NaBr Sodium Bromide nabr  
623 NaBr- sodium bromide anion nabr-  
624 NaBr+ sodium bromide cation nabr+  
625 KBr Potassium Bromide kbr  
626 LiI Lithium Iodide lii  
627 NaI Sodium Iodide nai  
628 KI Potassium Iodide ki  
629 LiF- lithium fluoride anion lif-  
630 LiF+ lithium fluoride cation lif+  
631 BeF Beryllium monofluoride bef  
632 BeF- Beryllium monofluoride anion bef-  
633 BeF+ Beryllium monofluoride cation bef+  
634 BeCl beryllium monochloride becl  
635 MgF Magnesium monofluoride mgf  
636 MgF- magnesium fluoride anion mgf-  
637 MgF+ magnesium fluoride cation mgf+  
638 CaF Calcium monofluoride caf  
639 MgCl magnesium monochloride mgcl  
640 MgCl- magnesium monochloride anion mgcl-  
641 MgCl+ magnesium monochloride cation mgcl+  
642 CaCl calcium monochloride cacl  
643 TiCl Titanium Monochloride ticl  
644 ZnF Zinc monofluoride znf  
645 ZnF- Zinc monofluoride anion znf-  
646 ZnF+ Zinc monofluoride cation znf+  
647 ZnCl Zinc monochloride zncl  
648 CaBr Calcium monobromide cabr  
649 BeCl- beryllium monochloride anion becl-  
650 BeCl+ beryllium monochloride cation becl+  
651 BF- Boron monofluoride anion bf-  
652 BF+ Boron monofluoride cation bf+  
653 AlF Aluminum monofluoride alf  
654 AlF- Aluminum monofluoride anion alf-  
655 AlF+ Aluminum monofluoride cation alf+  
656 BCl boron monochloride bcl  
657 BCl- boron monochloride anion bcl-  
658 BCl+ boron monochloride cation bcl+  
659 AlCl Aluminum monochloride alcl  
660 AlCl- aluminum monochloride anion alcl-  
661 AlCl+ aluminum monochloride cation alcl+  
662 ScF Scandium monofluoride scf  
663 BBr Boron monobromide bbr  
664 GaF Gallium monofluoride gaf  
665 GaF+ Gallium monofluoride cation gaf+  
666 AlBr Aluminum monobromide albr  
667 GaCl Gallium monochloride gacl  
668 GaCl+ Gallium monochloride cation gacl+  
669 AlI Aluminum monoiodide ali  
670 GaBr Gallium monobromide gabr  
671 CF Fluoromethylidyne cf  
672 CF- carbon monofluoride anion cf-  
673 CF+ carbon monofluoride cation cf+  
674 CCl carbon monochloride ccl  
675 CCl- carbon monochloride anion ccl-  
676 CCl+ carbon monochloride cation ccl+  
677 SiF silicon monofluoride sif  
678 SiF- silicon monofluoride anion sif-  
679 SiF+ silicon monofluoride cation sif+  
680 SiCl Clorosilylidyne sicl  
681 SiCl- silicon monochloride anion sicl-  
682 SiCl+ silicon monochloride cation sicl+  
683 CBr Carbon monobromide cbr  
684 GeF Germanium monofluoride gef  
685 GeF+ Germanium monofluoride cation gef+  
686 GeCl Germanium monochloride gecl  
687 GeCl+ Germanium monochloride cation gecl+  
688 SiBr Silicon monobromide sibr  
689 SiBr+ Silicon monobromide cation sibr+  
690 NF nitrogen fluoride nf  
691 NF- nitrogen monofluorine anion nf-  
692 NF+ nitrogen monofluoirde cation nf+  
693 NCl nitrogen monochloride ncl  
694 NCl- nitrogen monochloride anion ncl-  
695 NCl+ nitrogen monochloride cation ncl+  
696 PF phosphorus monofluoride pf  
697 PF- phosphorus monofluoride anion pf-  
698 PF+ phosphorus monofluoride cation pf+  
699 PCl phosphorus chloride pcl  
700 PCl- phosphorus monochloride anion pcl-  
701 PCl+ phosphorus monochloride cation pcl+  
702 AsF Arsenic monofluoride asf  
703 NBr nitrogen monobromide nbr  
704 AsCl Arsenic monochloride ascl  
705 PBr Phosphorus monobromide pbr  
706 SbF Antimony monofluoride sbf  
707 SbCl Antimony monochloride sbcl  
708 FO Oxygen monofluoride fo  
709 FO- flourine oxide anion fo-  
710 FO+ fluorine monoxide cation fo+  
711 ClO Monochlorine monoxide clo  
712 ClO- chlorine monoxide anion clo-  
713 ClO+ chlorine monoxide cation clo+  
714 SF Monosulfur monofluoride sf  
715 SF- sulfur monofluoride anion sf-  
716 SF+ sulfur monofluoride cation sf+  
717 SCl sulfur monochloride scl  
718 SCl- sulfur monochloride anion scl-  
719 SCl+ sulfur monochloride cation scl+  
720 BrO Bromine monoxide bro  
721 BrO- Bromine monoxide anion bro-  
722 BrO+ Bromine monoxide cation bro+  
723 SeF Selenium monofluoride sef  
724 SBr Sulfur monobromide radical sbr  
725 SBr+ Sulfur monobromide cation sbr+  
726 SeCl Selenium monochloride secl  
727 IO Iodine monoxide io  
728 SeBr Selenium monobromide sebr  
729 BrCl Bromine monochloride brcl  
730 F2- flourine diatomic anion f2-  
731 F2+ flourine diatomic cation f2+  
732 ClF Chlorine monofluoride clf  
733 ClF- clorine monofluoride anion clf-  
734 ClF+ clorine monofluoride cation clf+  
735 Cl2- chlorine diatomic anion cl2-  
736 Cl2+ chlorine diatomic cation cl2+  
737 BrF Bromine monofluoride brf  
738 BrF- bromine fluoride anion brf-  
739 BrF+ bromine fluoride cation brf+  
740 BrCl- bromine chloride anion brcl-  
741 BrCl+ bromine chloride cation brcl+  
742 Br2 Bromine diatomic br2  
743 Br2- bromine diatomic anion br2-  
744 Br2+ bromine diatomic cation br2+  
745 I2 Iodine diatomic i2  
746 I2+ Iodine diatomic cation i2+  
747 HCF Fluoromethylene hcf  
748 HCCl Chloromethylene hccl  
749 HSiF fluorosilylene hsif  
750 HSiCl Chlorosilylene hsicl  
751 HSiBr monobromosilylene hsibr  
752 CHBr bromomethylene chbr  
753 HOF Hypofluorous acid hfo  
754 HOCl hypochlorous acid hocl  
755 HOCl+ hypochlorous acid cation hocl+  
756 HOBr Hypobromous acid hobr  
757 HOBr+ Hypobromous acid cation hobr+  
758 HOI Hypoiodous acid hoi  
759 F2H+ Fluorine, protonated f2h+  
760 FHF Hydrogen difluoride fhf  
761 FHF- Hydrogen difluoride anion fhf-  
762 ClFH+ Chlorine fluoride, F-protonated clfh+  
763 FClH+ Chlorine fluoride, Cl-protonated fclh+  
764 Cl2H+ Chlorine, protonated cl2h+  
765 CH2Br bromomethyl radical ch2br  
766 CH2F fluoromethyl radical ch2f  
767 CH2F+ fluoromethyl cation ch2f+  
768 CH2Cl+ chloromethyl cation ch2cl+  
769 CH2Cl chloromethyl radical ch2cl  
770 NH2F monofluoroamine nh2f  
771 NH2Cl chloramine nh2cl  
772 H2F2 Hydrogen fluoride dimer h2f2  
773 CH3F+ methyl fluoride cation ch3f+  
774 CD3F methylfluoride-d3 cd3f  
775 CH3F Methyl fluoride ch3f  
776 CD3Cl methyl chloride d3 cd3cl  
777 CH3Cl Methyl chloride ch3cl  
778 CH3Cl+ Methyl chloride cation ch3cl+  
779 SiH3F monofluorosilane sih3f  
780 SiH3Cl chlorosilane sih3cl  
781 CH3Br methyl bromide ch3br  
782 GeH3F monofluorogermane geh3f  
783 GeH3Cl monochlorogermane geh3cl  
784 SiH3Br bromosilane sih3br  
785 SiH3I Silyl Iodide sih3i  
786 NH3Cl+ protonated monochloroammonia nh3cl+  
787 CH3ClH+ methyl chloride, protonated ch3clh+  
788 NH4Cl Ammonium chloride nh4cl  
789 LiNe+ Lithium Neon cation line+  
790 Ne2 Neon diatomic ne2  
791 Ne2+ Neon diatomic cation ne2+  
792 Ar2 Argon diatomic ar2  
793 Ar2+ Argon diatomic cation ar2+  
794 Li3 Lithium trimer li3  
795 Li3+ Lithium trimer cation li3+  
796 C3 carbon trimer c3  
797 C3+ carbon trimer cation c3+  
798 SiC2 Silicon dicarbide sic2  
799 C3H3 cyclopropenyl radical cpr  
800 C3H3 Propargyl radical propargyl  
801 C3H3- Propargyl anion c3h3-  
802 C3H3+ cyclopropenyl cation cpr+  
803 C3H3+ Propargyl cation c3h3+  
804 C3H4 cyclopropene cprop  
805 CH2CCH2 allene allene  
806 CH3CCH propyne propyne  
807 C3H5+ Allyl cation allyl+  
808 CH3CHCH 1-propenyl radical ch3chch  
809 Zn(CH3)2 dimethyl zinc dmz  
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 Si3H8 trisilane si3h8  
816 LiCN lithium cyanide licn  
817 NaCN Sodium Cyanide nacn  
818 KCN Potassium cyanide kcn  
819 CuCN Copper cyanide cucn  
820 ZnCN Zinc monocyanide zncn  
821 ZnNC Zinc isocyanide znnc  
822 AlCN Aluminum monocyanide alcn  
823 AlNC Aluminum isocyanide alnc  
824 CN2 3H-Diazirin-3-ylidene cn2  
825 CNN Diazocarbene cnn  
826 NCN Cyanoimidogen ncn  
827 N3 azide radical n3  
828 N3- azide anion n3-  
829 N3+ azide cation n3+  
830 HCCN cyanomethylene hccn  
831 HCNN diazomethyl radical hcnn  
832 HN3 hydrogen azide hn3  
833 HN3+ Hydrazoic acid cation hn3+  
834 HNCNH diiminomethane hncnh  
835 CH2N2 diazirine ch2n2  
836 CH2NN diazomethane ch2nn  
837 NH2CN cyanamide cyanamide  
838 HNNNH+ 1,2-Triazadienium n2h3+  
839 NH2NN+ hydrazoic acid, protonated nh2nn+  
840 CH3CN Acetonitrile ch3cn  
841 CH3CN- acetonitrile anion ch3cn-  
842 CH3CN+ Acetonitrile cation ch3cn+  
843 CH3NC methyl isocyanide ch3nc  
844 CHNCH2 2H-Azirine c157164  
845 CHNHCH 1H-Azirine chnhch  
846 H2CCNH Ethenimine ch2cnh  
847 H2CNCH methyleneaminomethylene ch2nch  
848 HCCNH2 Ethynamine hccnh2  
849 HCNCH2+ 2H-Azirine cation hcnch2+  
850 HNCNH2+ diiminomethane, protonated hncnh2+  
851 NCNH3+ Cyanamide, protonated ncnh3+  
852 NH2CNH+ cyanamide, cn protonated nh2cnh+  
853 NH3CN+ cyanamide, amine protonated nh3cn+  
854 CH2CHNH vinylazine ch2chnh  
855 CH3CHN methylmethaniminyl radical ch3chn  
856 NHCHNH2 aminomethanimine cn2h4  
857 C2H5N Aziridine c2h5n  
858 CH2CHNH2 aminoethene aminoethene  
859 CH2NCH3 N-methylmethanimine nmm  
860 CH3CHNH ethanimine ethanimine  
861 NH2BHNH2 diaminoborane nh2bhnh2  
862 C2H5NH+ Protonated Aziridine c2h5nh+  
863 C2H6N+ aziridine, protonated c2h6n+  
864 NH2CH2NH2 diaminomethane nh2ch2nh2  
865 CH3CH2NH2 Ethylamine etam  
866 CH3NHCH3 Dimethylamine ch3nhch3  
867 CH3PHCH3 dimethylphosphine ch3phch3  
868 NH2CH2NH3+ diaminoethane, protonated pdam  
869 (CH3)2NH2+ dimethylammonium cation dmam  
870 CH3CH2NH3+ ethylamine, protonated pea  
871 Li2O dilithium oxide li2o  
872 Li2O+ dilithium oxide cation li2o+  
873 Li2S dilithium sulfide li2s  
874 Na2O disodium monoxide na2o  
875 Na2S Sodium sulfide na2s  
876 LiO2 Lithium dioxide lio2  
877 NaO2 Sodium superoxide nao2  
878 CCO Dicarbon monoxide cco  
879 CNO- fulminate cno-  
880 NCO isocyanato radical nco  
881 NCO- cyanate nco-  
882 SCN thiocyanato radical scn  
883 SCN- thiocyanide anion scn-  
884 BO2 Boron dioxide bo2  
885 BO2- Boron dioxide anion bo2-  
886 BO2+ Boron dioxide cation bo2+  
887 N2O Nitrous oxide n2o  
888 N2O- Nitrous oxide anion n2o-  
889 N2O+ Nitrous oxide cation n2o+  
890 NNS Nitrogen sulfide nns  
891 PPO Phosphorus oxide phosphide ppo  
892 CO2- Carbon dioxide anion co2-  
893 CO2+ Carbon dioxide cation co2+  
894 OCS Carbonyl sulfide cos  
895 OCS+ Carbonyl sulfide cation cos+  
896 SiO2 silicon dioxide sio2  
897 CS2 Carbon disulfide cs2  
898 CS2- Carbon disulfide anion cs2-  
899 CS2+ Carbon disulfide cation cs2+  
900 TiO2 Titanium dioxide tio2  
901 SiS2 Silicon disulfide sis2  
902 GeO2 Germanium dioxide geo2  
903 OCSe Carbonyl selenide ocse  
904 SCSe Carbon sulfide selenide scse  
905 GeS2 Germanium disulfide ges2  
906 CSe2 Carbon diselenide cse2  
907 SCTe Carbon sulfide Telluride scte  
908 NO2 Nitrogen dioxide no2  
909 NO2- Nitrogen dioxide anion no2-  
910 NO2+ Nitrogen dioxide cation no2+  
911 NSO sulfinyl amidogen NSO  
912 PO2 Phosphorus dioxide po2  
913 PO2- Phosphorus dioxide anion po2-  
914 PO2+ Phosphorus dioxide cation po2+  
915 SNO Nitrogen oxide sulfide sno  
916 AsO2 Aresenic dioxide aso2  
917 O3 Ozone o3  
918 O3- Ozone anion o3-  
919 O3+ Ozone cation o3+  
920 SO2- Sulfur dioxide anion so2-  
921 SO2+ Sulfur dioxide cation so2+  
922 SSO Disulfur monoxide sso  
923 S3 Sulfur trimer s3  
924 S3- Sulfur trimer anion s3-  
925 S3+ Sulfur trimer cation s3+  
926 SeO2 Selenium dioxide seo2  
927 SeO2+ Selenium dioxide cation seo2+  
928 TeO2 Tellurium Dioxide teo2  
929 HCCO ketenyl radical ketenyl  
930 CS2H+ Carbon disulfide, protonated cs2h+  
931 HCNO fulminic acid hcno  
932 HNCO Isocyanic acid hnco  
933 HOCN cyanic acid hocn  
934 HNCS Isothiocyanic acid hncs  
935 HSCN thiocyanic acid hscn  
936 HCO2- formate anion hco2-  
937 HNNO nitrosoazane hnno  
938 HNNO+ Nitrous oxide, N-protonated hnno+  
939 NNOH+ Nitrous Oxide, O-protonated nnoh+  
940 HCOO formate neutral radical hcoo  
941 HOCO Hydrocarboxyl radical hoco  
942 HOCO+ Hydrocarboxyl cation hoco+  
943 HNO2 Nitrous acid hno2  
944 HNO2+ nitrous acid cation hno2+  
945 O3H+ protonated ozone o3h+  
946 SO2H+ protonated sulfur dioxide so2h+  
947 C2H2O Oxirene oxirene  
948 CH2CO Ketene ch2co  
949 CH2CO+ Ketene cation ch2co+  
950 HCCOH ethynol hccoh  
951 CH2CS Thioketene ch2cs  
952 Be(OH)2 Beryllium hydroxide beo2h2  
953 Mg(OH)2 Magnesium dihydroxide h2mgo2  
954 NH2NO Nitrosamide nh2no  
955 CH2O2 Dioxirane diox  
956 H2COO Dioxymethyl radical h2coo  
957 H2COO+ dioxymethyl cation h2coo+  
958 HCOOH Formic acid ch2o2  
959 H2O3 Hydrogen trioxide h2o3  
960 HSSSH trisulfane hsssh  
961 NaOCH3 Sodium methoxide naoch3  
962 CH2BOH hydroxy(methylene)borane ch2boh  
963 BH3CO Borane carbonyl bh3co  
964 CH3BO Borane, methyloxo- ch3bo  
965 CH2CHO Vinyloxy radical ch2cho  
966 CH2COH+ ketene, protonated ch2coh+  
967 CH3CO Acetyl radical ch3co  
968 CH3CO- Acetyl anion ch3co-  
969 CH3CO+ acetyl cation ch3co+  
970 CH2NOH formaldoxime ch2noh  
971 CH3NO nitrosomethane ch3no  
972 CHONH2 formamide formamide  
973 CNOH3 1,2-oxaziridine cnoh3  
974 HOCHNH hydroxymethylimine hochnh  
975 CHSNH2 thioformamide chsnh2  
976 NHCHSH Methanimidothioic acid nhchsh  
977 CH2OOH CH2OOH radical ch2ooh  
978 CH3OO methylperoxy radical ch3oo  
979 CH3OO- methylperoxy anion ch3oo-  
980 CH3OO+ methylperoxy cation ch3oo+  
981 C2H4O Ethylene oxide c2h4o  
982 C2H4O+ ethylene oxide cation c2h4o+  
983 CH2CHOH ethenol ch2choh  
984 CH3CHO Acetaldehyde ch3cho  
985 CH3CHO+ acetaldehyde cation ch3cho+  
986 H2COCH2+ Methyl, (methyleneoxoniumyl)- h2coch2+  
987 C2H4S Thiirane thiirane  
988 CH2CHSH Ethenethiol ch2chsh  
989 CH3CHS Thioacetaldehyde ch3chs  
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 CH3SSH Hydrogen methyl disulfide ch3ssh  
996 HSCH2SH Methanedithiol ch4s2  
997 H2OH2CO water formaldehyde dimer h2oh2co  
998 C2H4OH+ ethylene oxide, protonated c2h4oh+  
999 CH2CH2OH 2-hydroxy ethyl radical ch2ch2oh  
1000 CH3CH2O Ethoxy radical ethoxy  
1001 CH3CHOH 1-hydroxy-ethyl radical ch3choh  
1002 CH3CHOH+ acetaldehyde, protonated ch3choh+  
1003 CH3OCH2 methoxymethyl radical ch3och2  
1004 NH2CH2OH aminomethanol nh2ch2oh  
1005 CH3CH2OH Ethanol etoh  
1006 CH3OCH3 Dimethyl ether meome  
1007 CH3CH2SH ethanethiol etsh  
1008 CH3SCH3 Dimethyl sulfide mesme  
1009 CH3SCH3+ dimethyl sulfide cation mesme+  
1010 CH3SeCH3 dimethylselenide dmse  
1011 CH3OHH2O methanol water dimer ch3ohh2o  
1012 H2OCH3OH water methanol dimer h2och3oh  
1013 CuF2 Copper difluoride cuf2  
1014 ZnF2 Zinc difluoride znf2  
1015 CNF iso cyanogen fluoride cnf  
1016 FCN Cyanogen fluoride fcn  
1017 ClCN chlorocyanogen clcn  
1018 BrCN Cyanogen bromide brcn  
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 BeBr2 Beryllium bromide bebr2  
1028 CaBr2 Calcium dibromide cabr2  
1029 CaF2 Calcium difluoride caf2  
1030 FCO Carbonyl fluoride fco  
1031 FCO+ Carbonyl fluoride cation fco+  
1032 ClCO carbonyl monochloride clco  
1033 BF2 Boron difluoride radical bf2  
1034 FNO Nitrosyl fluoride fno  
1035 ClNO Nitrosyl chloride clno  
1036 FNS Thionitrosyl fluoride fns  
1037 FSN Thiazyl fluoride fsn  
1038 OPCl Phosphorus oxychloride opcl  
1039 BrNO Nitrosyl bromide brno  
1040 INO Nitrosyl iodide ino  
1041 CF2 Difluoromethylene cf2  
1042 CF2- Difluoromethylene anion cf2-  
1043 CF2+ Difluoromethylene cation cf2+  
1044 CFCl chlorofluoromethylene cfcl  
1045 SiF2 Silicon difluoride sif2  
1046 SiF2+ Silicon difluoride cation sif2+  
1047 CCl2 dichloromethylene ccl2  
1048 CCl2- dichloromethylene anion ccl2-  
1049 CCl2+ dichloromethylene cation ccl2+  
1050 SiCl2 Dichlorosilylene sicl2  
1051 GeF2 Germanium difluoride gef2  
1052 GeCl2 Germanium dichloride gecl2  
1053 CBr2 dibromomethylene cbr2  
1054 FOO Dioxygen monofluoride radical foo  
1055 FOO+ Fluorine dioxide cation foo+  
1056 ClOO chloroperoxy radical cloo  
1057 ClOO+ chloroperoxy cation cloo+  
1058 OClO Chlorine dioxide oclo  
1059 OClO- Chlorine dioxide anion oclo-  
1060 OClO+ Chlorine dioxide cation oclo+  
1061 ClSO Sulfur chloride oxide clso  
1062 ClS2 Sulfur chloride cls2  
1063 BrOO Bromine dioxide broo  
1064 OBrO Bromine dioxide radical obro  
1065 NF2 Difluoroamino radical nf2  
1066 NF2+ Difluoroamino cation nf2+  
1067 PF2 Phosphorus difluoride pf2  
1068 PF2+ Phosphorus difluoride cation pf2+  
1069 FClO chlorosyl fluoride fclo  
1070 F2O Difluorine monoxide f2o  
1071 ClOF Chlorine hypofluorite clof  
1072 SF2 sulfur difluoride sf2  
1073 SF2- sulfur difluoride anion sf2-  
1074 SF2+ sulfur difluoride cation sf2+  
1075 Cl2O Dichlorine monoxide cl2o  
1076 SCl2 Sulfur dichloride scl2  
1077 SeF2 Selenium difluoride sef2  
1078 BrOCl Bromine hypochlorite brocl  
1079 SeCl2 Selenium Dichloride secl2  
1080 SBr2 Sulfur dibromide sbr2  
1081 SeBr2 Selenium dibromide sebr2  
1082 BrOBr Bromine oxide brobr  
1083 F3- trifluoride anion f3-  
1084 Cl3- trichloride anion cl3-  
1085 Br3- tribromide anion br3-  
1086 I3- triiodide i3-  
1087 SFCl Sulfur chloride fluoride sfcl  
1088 HCCF Fluoroacetylene hccf  
1089 HCCF+ fluoroacetylene cation hccf+  
1090 HCCCl Chloroacetylene hcccl  
1091 HCCBr bromoacetylene hccbr  
1092 HFCO+ formyl fluoride cation hfco+  
1093 COHCl Formyl chloride cohcl  
1094 COHBr Formyl bromide cohbr  
1095 BHF2 Difluoroborane bhf2  
1096 BHCl2 Borane, dichloro- bhcl2  
1097 CHCl2 dichloromethyl radical chcl2  
1098 CHF2 difluoromethyl radical chf2  
1099 CHF2+ difluoromethyl cation chf2+  
1100 CHFCl Chlorofluoromethyl radical chfcl  
1101 CHFCl+ Chlorofluoromethyl cation chfcl+  
1102 CHCl2+ dichloromethyl cation chcl2+  
1103 CHBr2 dibromomethyl radical chbr2  
1104 HOClO Chlorous acid hoclo  
1105 NHF2 difluoramine nhf2  
1106 NHCl2 dichloroamine nhcl2  
1107 CH2F2 Methane, difluoro- ch2f2  
1108 CH2FCl fluorochloromethane ch2fcl  
1109 SiH2F2 difluorosilane sih2f2  
1110 CH2Cl2 Methylene chloride ch2cl2  
1111 CH2BrF Methane, bromofluoro- ch2fbr  
1112 CH2BrCl Methane, bromochloro- ch2clbr  
1113 CH2FI fluoroiodomethane ch2fi  
1114 CH2Br2 dibromomethane ch2br2  
1115 CH2ClI chloroiodomethane ch2cli  
1116 CH2BrI bromoiodomethane ch2bri  
1117 CH2I2 Diiodomethane ch2i2  
1118 SiH2Cl2 dichlorosilane sih2cl2  
1119 CH3MgBr Methyl Magnesium Bromide ch3mgbr  
1120 CH2CHF Ethene, fluoro- ch2chf  
1121 CH2CHF+ fluoroethene cation ch2chf+  
1122 C2H3Cl Ethene, chloro- ch2chcl  
1123 C2H3Br vinyl bromide c2h3br  
1124 C2H3I Vinyl iodide c2h3i  
1125 CH2FOH fluoromethanol ch2foh  
1126 CH3OCl methyl hypochlorite ch3ocl  
1127 CH2CH2Cl 2-chloroethyl radical ch2ch2cl  
1128 CHClCH3 1-chloroethyl radical chclch3  
1129 C2H5F fluoroethane c2h5f  
1130 CH3CH2Cl Ethyl chloride c2h5cl  
1131 CH3SiFH2 fluoromethylsilane ch3sifh2  
1132 C2H5Br Ethyl bromide etbr  
1133 C2H5I Ethyl iodide c2h5i  
1134 KrF2 Krypton difluoride krf2  
1135 XeF2 Xenon difluoride xef2  
1136 B4H10 Tetraborane(10) b4h10  
1137 C4 Carbon tetramer c4  
1138 C4+ Carbon tetramer cation c4+  
1139 C4H2 Diacetylene c4h2  
1140 C4H2+ diacetlyene cation c4h2+  
1141 C2H3CCH 1-Buten-3-yne c2h3cch  
1142 C4H4 cyclobutadiene cbd  
1143 C4H4 Tetrahedrane c4h4  
1144 H2CCCCH2 Butatriene h2cccch2  
1145 C4H6 1-Methylcyclopropene c3100047  
1146 C4H6 Cyclobutene c822355  
1147 C4H6 Methylenecyclopropane c6142730  
1148 CH2CCHCH3 1,2-Butadiene butad12  
1149 CH2CHCHCH2 1,3-Butadiene c106990  
1150 CH3CCCH3 2-Butyne c503173  
1151 CHCCH2CH3 1-Butyne c107006  
1152 CH3CHCHCH2 methylallyl radical c4h7  
1153 C4H8 methylcyclopropane mcp  
1154 CH2C(CH3)CH3 1-Propene, 2-methyl- isobute  
1155 CH2CHCH2CH3 1-Butene bute1  
1156 CH3CHCHCH3 2-Butene, (E)- bute2e  
1157 CH3CHCHCH3 2-Butene, (Z)- bute2z  
1158 B(CH3)3 trimethylborane bme3  
1159 C(CH3)3 Tert-butyl radical tbutyl  
1160 CH2CH(CH3)2 Isobutyl radical isobutyl  
1161 CH3CHCH2CH3 2-Butyl radical butyl2  
1162 CH3CH(CH3)CH3 Isobutane isobutane  
1163 CH3CH2CH2CH3 Butane butane  
1164 SiH(CH3)3 trimethylsilane trimsi  
1165 Li3N trilithium nitride li3n  
1166 C2N2 Cyanogen c2n2  
1167 C2N2+ Cyanogen cation c2n2+  
1168 P4 Phosphorus tetramer p4  
1169 As4 Arsenic tetramer as4  
1170 HCCCN Cyanoacetylene hcccn  
1171 HCCCN+ Cyanoacetylene cation hcccn+  
1172 H2CNCN cyanamide, methylene ch2ncn  
1173 HNCCNH Ethenediimine hnccnh  
1174 C3H3N acrylonitrile ch2chcn  
1175 C3H3N+ acrylonitrile cation ch2chcn+  
1176 CH3N3 methyl azide ch3n3  
1177 NH2CCNH2 Diaminoacetylene daa  
1178 NH2CH2CN Aminoacetonitrile aan  
1179 CH3NHN2+ methyl azide, protonated ch3nhn2+  
1180 C2H5CN ethyl cyanide c2h5cn  
1181 CH5N3 Guanidine guanidine  
1182 C4H6 Bicyclo[1.1.0]butane c157335  
1183 CH3NNCH3 (Z)-1,2-Dimethyldiazene dmdiazz  
1184 H2NCHCHNH2 diaminoethylene dae  
1185 CH6N3+ guanidinium ch6n3+  
1186 C3H7N Cyclopropylamine cpram  
1187 CH7N3 triaminomethane tam  
1188 C3H7N Azetidine azet  
1189 C4H8 cyclobutane cbutane  
1190 C2H8N2 Ethylenediamine ethdiam  
1191 CH3NHNHCH3 dimethyl hydrazine dmh  
1192 CH3CH(NH2)CH3 2-Propanamine pram2  
1193 N(CH3)3 Trimethylamine trimeam  
1194 NH2CH2CH2CH3 1-Propanamine pram1  
1195 P(CH3)3 trimethylphosphine tmp  
1196 N(SiH3)3 trisilylamine tsa  
1197 As(CH3)3 trimethyl arsine tmas  
1198 (CH3)3NH+ protonated trimethyl amine ptma  
1199 C3H7NH3+ n-propylamine, protonated c3h7nh2  
1200 Li2O2 dilithium dioxide li2o2  
1201 Na2O2 disodium dioxide na2o2  
1202 K2O2 dipotassium dioxide k2o2  
1203 C3O Tricarbon monoxide c3o  
1204 B2O2 Diboron dioxide b2o2  
1205 ONNO NO dimer onno  
1206 S2N2 Disulfur dinitride s2n2  
1207 CO3 Carbon trioxide co3  
1208 CO3-- carbonate co3--  
1209 CS3-- Carbonotrithioate cs3--  
1210 NO3 Nitrogen trioxide no3  
1211 NO3- nitrate anion no3-  
1212 NO3+ nitrogen trioxide cation no3+  
1213 SO3 Sulfur trioxide so3  
1214 SO3- Sulfur trioxide anion so3-  
1215 SO3-- Sulfate dianion so3--  
1216 SO3+ Sulfur trioxide cation so3+  
1217 SeO3 selenium trioxide seo3  
1218 S4 Sulfur tetramer s4  
1219 TeO3 Tellurium trioxide teo3  
1220 HCO3- bicarbonate anion hco3-  
1221 HNO3 Nitric acid hno3  
1222 HSO3 Hydroxysulfonyl radical hso3  
1223 NH2NO2 nitramide nh2no2  
1224 C2H2CO cyclopropenone c2h2co  
1225 C3H2O Propadienal c3h2o  
1226 HCCCHO 2-propynal hcccho  
1227 C2H2O2 Ethanedial c2h2o2  
1228 C2H2O2+ Ethanedial cation c2h2o2+  
1229 H2CO3 Carbonic acid h2co3  
1230 H2CS3 thiocarbonic acid h2cs3  
1231 H2NO3+ Nitric Acid, Protonated h2no3+  
1232 H2SO3 Sulfurous acid h2so3  
1233 C2H3NO Nitrosoethylene c2h3no  
1234 CH3NCO methylisocyante ch3nco  
1235 HOCH2CN cyanomethanol hoch2cn  
1236 CH3COO- acetate anion ch3coo-  
1237 CH3NO2 Methane, nitro- ch3no2  
1238 CH3ONO Methyl nitrite ch3ono  
1239 NH2COOH Carbamic acid nh2cooh  
1240 H3BO3 Boric acid h3bo3  
1241 H3AlO3 Aluminum hydroxide h3alo3  
1242 H3CO3+ carbonic acid, protonated h3co3+  
1243 C3H4O 2-Propyn-1-ol c107197  
1244 C3H4O allenol c9000071  
1245 C3H4O Cyclopropanone cpone  
1246 C3H4O Methylketene c6004440  
1247 CH2CHCHO Acrolein c3h4o  
1248 NH2CONH2 Urea urea  
1249 NH2CONH2+ Urea cation urea+  
1250 NH2CSNH2 Thiourea thiourea  
1251 C2H4O2 1,3-dioxetane c2h4o2  
1252 CH3COOH Acetic acid ch3cooh  
1253 CH3OCHO methyl formate ch3ocho  
1254 CHOCH2OH hydroxy acetaldehyde haa  
1255 NH2COOH2+ Carbamic acid, O-protonated nh2cooh2+  
1256 NH3COOH+ protonated Carbamic acid nh3cooh+  
1257 H2OHCOOH Water formic acid dimer 1 h2ohcooh_10  
1258 H2OHCOOH Water formic acid dimer 2 h2ohcooh_11  
1259 HCOOHH2O Formic acid water dimer hcoohh2o  
1260 HOCH2OOH hydroxy methyl peroxide hoch2ooh  
1261 CH3COCH2 Acetonyl radical ch3coch2  
1262 CH2C(OH)NH2 1-amino vinyl alchohol ava  
1263 CH3C(OH)=NH Ethaninidic acid eia  
1264 CH3CHNOH Acetaldoxime acetaldoxime  
1265 CH3CONH2 Acetamide acetamide  
1266 HCONHCH3 N-methylformamide nmfa  
1267 CH3CSNH2 Ethanethioamide ch3csnh2  
1268 CH5N2O+ urea, N-protonated ch4n2o+  
1269 H2NCOHNH2+ urea, protonated ureah+  
1270 C2H5OO ethylperoxy radical c2h5oo  
1271 CH3NNCH3 (E)-1,2-Dimethyldiazene dmdiaze  
1272 C3H5OH Cyclopropanol cproh  
1273 C3H6O 2-Propen-1-ol c107186  
1274 C3H6O Acetone enol enol  
1275 C3H6O Oxetane oxetane  
1276 C3H6O Propylene oxide prox  
1277 CH3CH2CHO Propanal propanal  
1278 CH3COCH3 Acetone acetone  
1279 CH3COCH3- acetone anion ch3coch3-  
1280 C3H6S Thietane thietane  
1281 C3H6S Thiirane, methyl- methiirane  
1282 CH3CSCH3 Thioacetone ch3csch3  
1283 C2H6O2 1,2-Ethanediol ethdiol  
1284 CH3OOCH3 dimethylperoxide dmp  
1285 CH3SOCH3 Dimethyl sulfoxide dmso  
1286 CH2SHCH2SH 1,2-Ethanedithiol ethdisl  
1287 CH3SSCH3 Disulfide, dimethyl ch3ssch3  
1288 CH3COHCH3+ acetone, protonated acetoneh+  
1289 HOCH2CH2NH2 monoethanolamine mea  
1290 C3H7OH 1-Propanol proh  
1291 CH3CHOHCH3 Isopropyl alcohol isoproh  
1292 CH3OC2H5 Ethane, methoxy- etome  
1293 C3H7SH 1-Propanethiol prsh  
1294 CH3CHSHCH3 2-Propanethiol isoprsh  
1295 CH3SCH2CH3 Ethane, (methylthio)- etsme  
1296 H2OCH3OCH3 water dimethylether dimer h2och3och3  
1297 Li2F2 Lithium fluoride dimer li2f2  
1298 Na2F2 Sodium Fluoride Dimer na2f2  
1299 Na2Cl2 Disodium dichloride na2cl2  
1300 C2F2 difluoroacetylene c2f2  
1301 C2Cl2 dichloroacetylene c2cl2  
1302 C2Cl2+ dichloroacetylene cation c2cl2+  
1303 FNO2 Nitryl fluoride fno2  
1304 FONO Nitrosyl hypofluorite fono  
1305 ClNO2 Nitryl chloride clno2  
1306 ClONO chlorine nitrite clono  
1307 BrONO Bromine nitrite brono  
1308 N2F2 (Z)-Difluorodiazene n2f2_z  
1309 N2F2 Dinitrogen difluoride, (E)- n2f2_e  
1310 CF2O Carbonic difluoride f2co  
1311 CF2O+ Carbonic difluoride cation f2co+  
1312 COFCl Carbonic chloride fluoride cofcl  
1313 CCl2O Phosgene cl2co  
1314 Cl2CS Thiophosgene cl2cs  
1315 COBr2 Carbonic dibromide cobr2  
1316 BF3- Borane, trifluoro- anion bf3-  
1317 BF3+ boron trifluoride cation bf3+  
1318 BClF2 Chlorodifluoroborane bclf2  
1319 AlF2Cl Aluminum chloride difluoride alclf2  
1320 ScF3 Scandium trifluoride ScF3  
1321 AlFCl2 Aluminum dichloride fluoride alcl2f  
1322 BCl3 Borane, trichloro- bcl3  
1323 BCl3+ Boron Trichloride cation bcl3+  
1324 GaF3 Gallium trifluoride gaf3  
1325 AlCl3 Aluminum trichloride alcl3  
1326 GaCl3 Gallium trichloride gacl3  
1327 BBr3 Boron tribromide bbr3  
1328 AlBr3 Aluminum Bromide albr3  
1329 ClO3 Chlorine trioxide clo3  
1330 ClO3- chlorate anion clo3-  
1331 BrO3- Bromate anion bro3-  
1332 CF3 Trifluoromethyl radical cf3  
1333 CF3- Trifluoromethyl anion cf3-  
1334 CF3+ Trifluoromethyl cation cf3+  
1335 CF2Cl difluorochloromethyl radical cf2cl  
1336 SiF3 Silicon trifluoride radical sif3  
1337 SiF3+ Silicon trifluoride cation sif3+  
1338 CFCl2 dichlorofluoromethyl radical cfcl2  
1339 CCl3 Trichloromethyl radical ccl3  
1340 CCl3- Trichloromethyl anion ccl3-  
1341 CCl3+ Trichloromethyl cation ccl3+  
1342 SiCl3 trichlorosilyl radical sicl3  
1343 SiCl3+ trichlorosilyl cation sicl3+  
1344 CBr3 tribromomethyl radical cbr3  
1345 FOOF Perfluoroperoxide foof  
1346 ClO2F Chloryl fluoride clo2f  
1347 F2SO Thionyl Fluoride f2so  
1348 ClOOCl Dichlorine dioxide cloocl  
1349 FSSF Difluorodisulfane fssf  
1350 S2F2 Thio-thionyl fluoride s2f2  
1351 SOCl2 thionyl chloride socl2  
1352 SSCl2 Thiothionyl chloride sscl2  
1353 SeOCl2 selenium oxychloride seocl2  
1354 NF3 Nitrogen trifluoride nf3  
1355 NF3- Nitrogen trifluoride anion nf3-  
1356 NF3+ Nitrogen trifluoride cation nf3+  
1357 PF3 Phosphorus trifluoride pf3  
1358 NCl3 nitrogen trichloride ncl3  
1359 AsF3 Arsenic trifluoride asf3  
1360 PCl3 Phosphorus trichloride pcl3  
1361 SbF3 Antimony Trifluoride sbf3  
1362 AsCl3 Arsenous trichloride ascl3  
1363 SbCl3 Antimony Trichloride sbcl3  
1364 NBr3 Nitrogen Tribromide nbr3  
1365 PBr3 Phosphorus tribromide pbr3  
1366 AsBr3 Arsenic tribromide asbr3  
1367 NI3 Nitrogen triiodide ni3  
1368 PI3 Phosphorus triiodide pi3  
1369 ClSSCl Disulfur dichloride s2cl2  
1370 SF3 Sulfur trifluoride sf3  
1371 ClF3 Chlorine trifluoride clf3  
1372 BrF3 Bromine trifluoride brf3  
1373 IF3 iodone trifluoride if3  
1374 HClO3 Chloric Acid hclo3  
1375 CHF3 Methane, trifluoro- chf3  
1376 CHF2Cl difluorochloromethane chf2cl  
1377 SiHF3 trifluorosilane sihf3  
1378 CHFCl2 fluorodichloromethane chfcl2  
1379 CDCl3 trichloromethane-d cdcl3  
1380 CHCl3 Chloroform chcl3  
1381 CHBrF2 Methane, bromodifluoro- chbrf2  
1382 SiHCl3 Trichlorosilane sihcl3  
1383 CHFClBr fluorochlorobromomethane chfclbr  
1384 CHBrCl2 Methane, bromodichloro- chbrcl2  
1385 CHF2I difluoroiodomethane chf2i  
1386 CHBr2F dibromofluoromethane chbr2f  
1387 CHFClI fluorochloroiodomethane chfcli  
1388 CHCl2I dichloroiodomethane chcl2i  
1389 CHClBr2 Methane, dibromochloro- chclbr2  
1390 CHBr3 bromoform chbr3  
1391 CHI3 Iodoform chi3  
1392 NF3H+ protonated nitrogen trifluoride nf3h+  
1393 AsF3H+ Arsenic trifluoride, protonated asf3h+  
1394 C2H2F2 Ethene, 1,2-difluoro-, (E)- c2h2f2e  
1395 C2H2F2 Ethene, 1,2-difluoro-, (Z)- c2h2f2z  
1396 CH2CF2 Ethene, 1,1-difluoro- ch2cf2  
1397 C2H2ClF 1-chloro-1-fluoroethylene c2h2clf  
1398 CHFCHCl (E)-1-chloro-2-fluoroethene chfchcle  
1399 CHFCHClz (Z)-1-Chloro-2-fluoroethene chfchclz  
1400 CH2CCl2 Ethene, 1,1-dichloro- ch2ccl2  
1401 CHClCHCl Ethene, 1,2-dichloro-, (E)- chclchcle  
1402 CHClCHCl Ethene, 1,2-dichloro-, (Z)- chclchclz  
1403 C2H2Br2 1,1-dibromoethene c2h2br2  
1404 CHBrCHBr Ethene, 1,2-dibromo-, (E)- chbrchbre  
1405 CHBrCHBr Ethene, 1,2-dibromo-, (Z)- chbrchbrz  
1406 CH2FCHO Fluoroacetaldehyde ch2fcho  
1407 CH3COF Acetyl fluoride ch3cof  
1408 CH2ClCHO chloroacetaldehyde ch2clcho  
1409 CH3COCl Acetyl Chloride ch3cocl  
1410 C2H4F2 1,2-difluoroethane c2h4f2  
1411 CH3CHF2 Ethane, 1,1-difluoro- ch3chf2  
1412 CH2FCH2Cl Ethane, 1-chloro-2-fluoro- ch2fch2cl  
1413 CH3CHFCl Ethane, 1-chloro-1-fluoro- ch3chfcl  
1414 CH2ClCH2Cl Ethane, 1,2-dichloro- ch2clch2cl  
1415 CH3CHCl2 Ethane, 1,1-dichloro- ch3chcl2  
1416 CH2BrCH2Cl 1-bromo-2-chloroethane ch2brch2cl  
1417 CH2BrCH2Br Ethane, 1,2-dibromo- ch2brch2br  
1418 CH2CFCH3 2-fluoropropene 2fpro  
1419 CH2CHCH2F Allyl Fluoride allylf  
1420 CH3CHCHF trans-1-Fluoro-1-propene propene1ft  
1421 C3H5Cl 1-Propene, 3-chloro- prop1cl3  
1422 C3H5Cl 1-chloro-1-propene(E) prop1cl1e  
1423 C3H5Cl 1-chloro-1-propene(Z) prop1cl1z  
1424 CH2FCH2OH 2-fluoroethanol ch2fch2oh  
1425 CH2ClCH2OH 2-Chloroethanol ch2clch2oh  
1426 CH2ClCH2OH2+ 2-chloroethanol, protonated ch2clch2oh2+  
1427 CH2FCH2CH3 1-Fluoropropane prf1  
1428 CH3CHFCH3 2-Fluoropropane prf2  
1429 CH2ClCH2CH3 Propane, 1-chloro- prcl1  
1430 CH3CHClCH3 Propane, 2-chloro- prcl2  
1431 CH3CH2CH2Br n-propyl bromide prbr  
1432 CH3CHBrCH3 i-propyl bromide iprbr  
1433 C3H9O+ trimethyl oxonium cation c3h9o+  
1434 B5H9 pentaborane9 b5h9  
1435 C5H4 pentatetraene ptrene  
1436 C5H5 cyclopentadienyl radical c5h5  
1437 C5H5- cylopentadienyl anion c5h5-  
1438 C5H6 1,3-Cyclopentadiene c542927  
1439 C5H6 1-Buten-3-yne, 2-methyl- c78808  
1440 C5H6 3-Penten-1-yne, (E)- c2004695  
1441 C5H6 3-Penten-1-yne, (Z)- c1574409  
1442 C5H6 Bicyclo[2.1.0]pent-2-ene c5164352  
1443 C5H6 Cyclopropylacetylene c6746947  
1444 C5H6 Propellane propellane  
1445 C5H7 1,3-pentadienyl radical pdyl  
1446 C5H7 cyclopentenyl radical cpyl  
1447 C5H8 1,2-Butadiene, 3-methyl- c598254  
1448 C5H8 1,2-Pentadiene c591957  
1449 C5H8 1,3-Butadiene, 2-methyl- c78795  
1450 C5H8 1,3-Pentadiene, (E)- c2004708  
1451 C5H8 1,3-Pentadiene, (Z)- c1574410  
1452 C5H8 1,4-Pentadiene c591935  
1453 C5H8 1-pentyne a1pentyne  
1454 C5H8 2,3-Pentadiene c591968  
1455 C5H8 Bicyclo[1.1.1]pentane bcp  
1456 C5H8 Cyclobutane, methylene- c1120565  
1457 C5H8 Cyclopentene c142290  
1458 C5H8 Ethenylcyclopropane c693867  
1459 CH3CCCH2CH3 2-Pentyne 2pentyne  
1460 C5H10 1-Butene, 2-methyl- c563462  
1461 C5H10 2-Butene, 2-methyl- c513359  
1462 C5H10 2-Pentene, (E)- c646048  
1463 C5H10 2-Pentene, (Z)- c627203  
1464 C5H10 Cyclopentane c287923  
1465 C5H10 Cyclopropane, 1,1-dimethyl- c1630940  
1466 CH2CHCH2CH2CH3 1-pentene pentene  
1467 C5H11 2-Methylbut-2-yl radical c4348350  
1468 C5H12 Butane, 2-methyl- buta2  
1469 C5H12 Pentane pentane  
1470 C5H12 Propane, 2,2-dimethyl- neopentane  
1471 Si(CH3)4 tetramethylsilane tms  
1472 N2O3 Dinitrogen trioxide n2o3  
1473 C3H2N2 Malononitrile c3h2n2  
1474 CH2N4 1H-Tetrazole 1htz  
1475 C3H3N2 imidazolyl radical im  
1476 C3H3N2- imidizolyl anion im-  
1477 C2H3N3 1H-1,2,4-Triazole c288880  
1478 C4H4N pyrrolide radical c4h4n  
1479 C4H4N- pyrrolide anion c4h4n-  
1480 C3H4N2 1H-Imidazole 1himidaz  
1481 C3H4N2 1H-Pyrazole 1hpyraz  
1482 C3H4N2 2H-Imidazole imid2h  
1483 C3H4N2 4H-Imidazole imid4h  
1484 C4H5N (E)-2-Butenenitrile c627269  
1485 C4H5N (Z)-2-Butenenitrile c1190767  
1486 C4H5N 2H-pyrrole pyrrole2  
1487 C4H5N 3H-pyrrole pyrrole3  
1488 C4H5N Cyclopropanecarbonitrile c5500210  
1489 C4H5N Pyrrole pyrrole  
1490 CH2CHCH2CN Allylcyanide ch2chch2cn  
1491 C4H6N+ pyrrole, alpha-protonated appyr  
1492 C4H6N+ pyrrole, beta-protonated bppyr  
1493 C4H6N+ pyrrole, protonated ppyr  
1494 C3H6N2 3-Aminopropionitrile c151188  
1495 CH3CH(CH3)CN Propanenitrile, 2-methyl- c4h7n  
1496 CH3CH2CH2CN Butanenitrile c109740  
1497 C5H8 Bicyclo[2.1.0]pentane c185944  
1498 C5H8 Spiropentane c157404  
1499 C4H9N Cyclobutylamine cbam  
1500 C4H9N Pyrrolidine pyrrolidine  
1501 C3H10N2 1,2-Diaminopropane diampr12  
1502 C(CH3)3NH2 2-Propanamine, 2-methyl- c75649  
1503 C(NH2)H2C(CH3)HCH3 1-Propanamine, 2-methyl- c78819  
1504 CH3C(NH2)HCH2CH3 2-Butanamine butam2  
1505 NH(C2H5)2 diethylamine dea  
1506 NC4H12+ tetramethyl ammonium cation nc4h12+  
1507 C3O2 Carbon suboxide c3o2  
1508 C3O2+ Carbon suboxide cation c3o2+  
1509 B2O3 diboron trioxide b2o3  
1510 MgCO3 Magnesium Carbonate mgco3  
1511 BeCO3 Beryllium Carbonate beco3  
1512 CaCO3 Calcium Carbonate caco3  
1513 ONONO Nitrosyl nitrite onono  
1514 PO4--- phosphate po4---  
1515 SO4-- sulfate so4--  
1516 HOONO2 peroxy nitric acid hoono2  
1517 HSO4- bisulfate anion hso4-  
1518 C2H2N2S 1,3,4-Thiadiazole c2h2n2s  
1519 C3H2O2 Propiolic acid c3h2o2  
1520 CHOCOOH oxo acetic acid oaa  
1521 CHOOCHO diformyl ether choocho  
1522 H2SO4 Sulfuric acid h2so4  
1523 H2SeO4 Selenic acid h2seo4  
1524 C3H3NO Isoxazole isox  
1525 C3H3NO Oxazole oxazole  
1526 C3H3NS Thiazole thiazole  
1527 CH3C(O)OO acetyl peroxy radical ch3coo2  
1528 CH3NO3 Methyl nitrate ch3no3  
1529 H3PO4 Phosphoric Acid h3po4  
1530 C4H4O Furan furan  
1531 C4H4O+ Furan cation furan+  
1532 CH3COCCH 3-butyn-2-one c1423605  
1533 C4H4S Thiophene furans  
1534 C4H4Se selenophene c4h4se  
1535 C3H4O2 β–Propiolactone beta  
1536 C3H4O2 2-Propenoic acid propenoic2  
1537 C3H4O2 Methyl glyoxal megly  
1538 C3H4O2 propanedial propanedial  
1539 C3H4O2 propenalol propenalol  
1540 HOCHCCHOH allenediol aldiol  
1541 C2H4O3 1,2,3-trioxolane c2h4o3  
1542 C2H4O3 trioxolane124 triox  
1543 HOCH2COOH Hydroxyacetic acid hac  
1544 CH2CHCONH2 Acrylamide c79061  
1545 CH3OCH2CN Methoxyacetonitrile c1738369  
1546 CH5N3S Hydrazinecarbothioamide c79196  
1547 H2NCH2COOH Glycine glycine  
1548 CH3SO2NH2 methanesulfonamide ch3so2nh2  
1549 C4H6O cis-2-butenal butenal2c  
1550 C4H6O Cyclobutanone cbutone  
1551 C4H6O Furan, 2,3-dihydro- furan23h  
1552 C4H6O Furan, 2,5-dihydro- furan25h  
1553 CH2CHOCHCH2 Vinyl ether vinylether  
1554 CHOCHCHCH3 2-Butenal butenal2  
1555 C4H6S Thiophene, 2,3-dihydro- thiop23h  
1556 C4H6S Thiophene, 2,5-dihydro- thiop25h  
1557 CH2CHSCHCH2 Divinyl sulfide divis  
1558 C2H6N2O Urea, methyl- c598505  
1559 C3H6O2 1,3-Dioxolane dioxolane  
1560 CH3CH2COOH Propanoic Acid propanoic  
1561 CH3COOCH3 methyl acetate aame  
1562 HCOOC2H5 Ethyl formate faee  
1563 C2H6O2S Dimethyl sulfone c67710  
1564 C3H7NO dimethylformamide dmf  
1565 C3H7NO Propanamide propanam  
1566 C2H3OC2H5 Ethene, ethoxy- c109922  
1567 C4H8O Cyclobutanol c2919235  
1568 C4H8O Furan, tetrahydro- thf  
1569 CH2C(CH3)OCH3 1-Propene, 2-methoxy- pre1meo2  
1570 CH3COCH2CH3 2-Butanone buta2one  
1571 CHOCH(CH3)CH3 Propanal, 2-methyl- c78842  
1572 CHOCH2CH2CH3 Butanal butanal  
1573 C4H8S Thiophene, tetrahydro- tht  
1574 C3H8O2 1,3-Propanediol c504632  
1575 C3H8O2 Hydroperoxide, 1-methylethyl c3031752  
1576 C3H8O2 Methane, dimethoxy- c109875  
1577 C3H8O2 Propylene glycol c57556  
1578 C3H8S2 1,3-Propanedithiol c109808  
1579 C4H10O 1-Butanol butanol1  
1580 C4H10O 2-Butanol, (.+/-.)- butanol2  
1581 C4H10O Ethanol, 1,1-dimethyl- tbuoh  
1582 C4H10O Ethoxy ethane etoet  
1583 C4H10O Methyl propyl ether meopr  
1584 C4H10O Propane, 2-methoxy- c598538  
1585 C4H10O+ 1-Butanol cation butanol1+  
1586 C(CH3)3SH 2-Propanethiol, 2-methyl- tbush  
1587 C2H5SC2H5 Diethyl sulfide etset  
1588 C4H9SH 1-Butanethiol bush  
1589 CH2(SH)CH(CH3)CH3 1-Propanethiol, 2-methyl- c513440  
1590 CH3C(SCH3)HCH3 Propane, 2-(methylthio)- mesipr  
1591 CH3CH(SH)CH2CH3 2-Butanethiol butansl2  
1592 FNO3 Fluorine nitrate fno3  
1593 ClONO2 Chlorine nitrate clono2  
1594 BrONO2 Bromine nitrate brono2  
1595 TiCl4 Titanium tetrachloride ticl4  
1596 ClO4- perchlorate anion clo4-  
1597 BF4- tetrafluoroboron anion bf4-  
1598 ClFO3 Perchloryl fluoride clfo3  
1599 SO2F2 Sulfuryl fluoride so2f2  
1600 SO2Cl2 Sulfuryl chloride so2cl2  
1601 F3NO Nitrogen trifluoride oxide f3no  
1602 F3PO Phosphoryl fluoride pf3o  
1603 Cl3PO Phosphoryl chloride pcl3o  
1604 CF4 Carbon tetrafluoride cf4  
1605 CF3Cl Methane, chlorotrifluoro- cf3cl  
1606 SiF4 Silicon tetrafluoride sif4  
1607 CF2Cl2 difluorodichloromethane cf2cl2  
1608 TiF4 Titanium tetrafluoride tif4  
1609 CFCl3 Trichloromonofluoromethane cfcl3  
1610 CF3Br Bromotrifluoromethane cf3br  
1611 GeF4 Germanium tetrafluoride gef4  
1612 CCl4 Carbon tetrachloride ccl4  
1613 CCl4+ Carbon tetrachloride cation ccl4+  
1614 CBrClF2 Methane, bromochlorodifluoro- cbrclf2  
1615 SiCl4 Silane, tetrachloro- sicl4  
1616 CBrCl2F bromodichlorofluoromethane cbrcl2f  
1617 CF3I trifluoroiodomethane cf3i  
1618 CBrCl3 Methane, bromotrichloro- cbrcl3  
1619 CBr2F2 Methane, dibromodifluoro- cbr2f2  
1620 GeCl4 Germanium Tetrachloride gecl4  
1621 CBr2ClF dibromochlorofluoromethane cbr2clf  
1622 CBr2Cl2 dibromodichloromethane cbr2cl2  
1623 CCl3I trichloroiodomethane ccl3i  
1624 CFBr3 fluorotribromomethane cfbr3  
1625 CFClBrI fluorochlorobromoiodomethane cfclbri  
1626 CBr3Cl tribromochloromethane cbr3cl  
1627 CF2I2 difluorodiiodomethane cf2i2  
1628 CBr4 Carbon tetrabromide cbr4  
1629 CCl2I2 dichlorodiiodomethane ccl2i2  
1630 SiBr4 Silicon tetrabromide sibr4  
1631 CBr3I tribromoiododmethane cbr3i  
1632 GeBr4 Germanium tetrabromide gebr4  
1633 CI4 tetraiodomethane ci4  
1634 SiI4 silicon tetraiodide sii4  
1635 ClOF3 Chlorine trifluoride oxide clof3  
1636 SF4 Sulfur tetrafluoride sf4  
1637 SeF4 Selenium tetrafluoride sef4  
1638 SCl4 Sulfur tetrachloride scl4  
1639 C2HF3 Trifluoroethylene c2hf3  
1640 C2HF3+ Trifluoroethylene cation c2hf3+  
1641 CHClCCl2 Trichloroethylene chclccl2  
1642 CHBrCF2 1-Bromo-2,2-difluoroethylene chbrcf2  
1643 HClO4 perchloric acid hclo4  
1644 HSO3F Fluorosulfonic acid hso3f  
1645 CF3OH trifluoromethanol cf3oh  
1646 CH2ClCCCl 1,3-dichloropropyne ch2clcccl  
1647 CHClCCHCl 1,3-dichloroallene chclcchcl  
1648 CHCl2CCH 3,3-dichloropropyne chcl2cch  
1649 CHCl2CHO dichloroacetaldehyde chcl2cho  
1650 PF3CH2 phosphorane, trifluoromethylene- pf3ch2  
1651 CH3CF3 Ethane, 1,1,1-trifluoro- ch3cf3  
1652 CHF2CH2F Ethane, 1,1,2-trifluoro ch2fchf2  
1653 CH3CF2Cl 1-Chloro-1,1-Difluoroethane ch3cf2cl  
1654 CH3CFCl2 1,1-Dichloro-1-fluoroethane ch3cfcl2  
1655 CH2ClCHCl2 1,1,2-trichloroethane ch2clchcl2  
1656 CH3CCl3 Ethane, 1,1,1-trichloro- ch3ccl3  
1657 SiCl3CH3 methyltrichlorosilane sicl3ch3  
1658 CH3CBr3 1,1,1-tribromoethane ch3cbr3  
1659 NH3BCl3 Amminetrichloroboron nh3bcl3  
1660 SiH3CCl3 (trichloromethyl)silane sih3ccl3  
1661 CH2CClCHCH2 1,3-Butadiene, 2-chloro- c4h5cl  
1662 C3H5ClO Oxirane, (chloromethyl)- c106898  
1663 CH2FCH2CH2F 1,3-difluoropropane ch2fch2ch2f  
1664 CH3CF2CH3 2,2-difluoropropane ch3cf2ch3  
1665 CH2ClCH2CH2Cl 1,3-dichloropropane prdicl13  
1666 CH2ClCHClCH3 Propane, 1,2-dichloro- prdicl12  
1667 CH3CCl2CH3 Propane, 2,2-dichloro- prdicl22  
1668 CHCl2CH2CH3 1,1-dichloropropane prdicl11  
1669 SiCl2(CH3)2 dichlorodimethylsilane sicl2me2  
1670 CH2CClCH2CH3 1-Butene, 2-chloro- bute1cl2  
1671 CH2CHCH2CH2Cl 1-Butene, 4-chloro- bute1cl4  
1672 CH2CHCHClCH3 1-Butene, 3-chloro- bute1cl3  
1673 CH2ClCHCHCH3 2-Butene, 1-chloro- bute2cl1  
1674 CH3CClCHCH3 2-Butene, 2-chloro-, (E)- bute2cl2e  
1675 CH3CClCHCH3 2-Butene, 2-chloro-, (Z)- bute2cl2z  
1676 CHClCHCH2CH3 (E)-1-Chloro-1-butene bute1cl1  
1677 CHClCHCH2CH3 (Z)-1-Chloro-1-butene bute1cl1z  
1678 C4H9F 1-fluorobutane butaf1  
1679 CH3CHFCH2CH3 2-fluorobutane butaf2  
1680 CH2ClCH2CH2CH3 Butane, 1-chloro- butacl1  
1681 CH3CCl(CH3)CH3 Propane, 2-chloro-2-methyl- procl2me2  
1682 CH3CHClCH2CH3 Butane, 2-chloro- butacl2  
1683 XeF4 Xenon tetrafluoride xef4  
1684 C2H2N2O Furazan furazan  
1685 CF3PH2 phosphine, (trifluoromethyl)- cf3ph2  
1686 NH3BF3 Amminetrifluoroboron nh3bf3  
1687 C6H2 hexatriyne c6h2  
1688 C6H4 (E)-Hexa-1,5-diyne-3-ene c6h4e  
1689 C6H4 (Z)-Hexa-1,5-diyne-3-ene c6h4z  
1690 C6H4 Benzyne benzyne  
1691 C6H5 phenyl phenyl  
1692 C6H5- phenyl anion phenyl-  
1693 C6H6 Prismane prismane  
1694 C6H6 1,2,4,5-Hexatetraene ht1245  
1695 C6H6 2,4-Hexadiyne hexadiyne  
1696 C6H6 3,4-Dimethylenecyclobutene cb34m  
1697 C6H6 Benzene benzene  
1698 C6H6 Benzvalene bv  
1699 C6H6 Dewar Benzene dewar  
1700 C6H6 Hexa-1,5-diene-3-yne hdy153  
1701 C6H6 Trimethylenecycopropane tmcp  
1702 C6H6+ Benzene cation c6h6+  
1703 C6H7+ benzene, protonated c6h7+  
1704 C6H8 (E)-hexa-1,3,5-triene c821078  
1705 C6H8 (E)-hexa-2,3,4-triene c59660650  
1706 C6H8 (Z)-hexa-1,3,5-triene hexatri135  
1707 C6H8 (Z)-hexa-2,3,4-triene hetr234c  
1708 C6H8 1,3-Cyclohexadiene cyhexadiene13  
1709 C6H8 1,4-Cyclohexadiene cyhexadiene14  
1710 C6H8 3-Methylenecyclopentene c930267  
1711 C6H8 Bicyclo[2.1.1]hex-2-ene c822413  
1712 C6H8 Bicyclo[2.2.0]hex-1(4)-ene c30830207  
1713 C6H8 Bicyclo[3.1.0]hex-2-ene c694019  
1714 C6H10 1,3-Hexadiene, (E)- hexdi13e  
1715 C6H10 1,3-Hexadiene, (Z)- hexdi13z  
1716 C6H10 1,4-Hexadiene, (E)- hexdi14t  
1717 C6H10 1,4-Hexadiene, (Z)- hexdi14z  
1718 C6H10 1,5-Hexadiene c592427  
1719 C6H10 1-Butyne, 3,3-dimethyl- c917920  
1720 C6H10 1-Hexyne hexyne1  
1721 C6H10 2,4-Hexadiene, (E,E)- hexdi24ee  
1722 C6H10 2,4-Hexadiene, (E,Z)- hexdi24ez  
1723 C6H10 2,4-Hexadiene, (Z,Z)- hexdi24zz  
1724 C6H10 2-Hexyne c764352  
1725 C6H10 3-Hexyne hexyne3  
1726 C6H10 cyclohexene cyclohexene  
1727 C6H10 Cyclopentene, 1-methyl- c693890  
1728 C6H10 Cyclopentene, 3-methyl- c1120623  
1729 C6H10 Cyclopentene, 4-methyl- c1759815  
1730 C4H6(CH3)2 1,1-dimethylcyclobutane dmcb11  
1731 C6H12 (1R,2R)-1,2-dimethylcyclobutane dmcb12t  
1732 C6H12 (1r,3r)-1,3-dimethylcyclobutane dmcb13t  
1733 C6H12 (E)-2-Hexene e2hexene  
1734 C6H12 (E)-3-methylpent-2-ene c616126  
1735 C6H12 (E)-hex-3-ene e3hexene  
1736 C6H12 (Z)-3-methylpent-2-ene c922623  
1737 C6H12 (Z)-hex-2-ene z2hexene  
1738 C6H12 (Z)-hex-3-ene z3hexene  
1739 C6H12 2,3-dimethylbut-1-ene c563780  
1740 C6H12 2,3-dimethyl-but-2-ene tmeet  
1741 C6H12 3-methylenepentane c760214  
1742 C6H12 cis-1,2-dimethylcyclobutane dmcb12c  
1743 C6H12 cis-1,3-dimethylcyclobutane dmcb13c  
1744 C6H12 Cyclohexane cyclohexane  
1745 C6H12 Cyclopentane, methyl- c96377  
1746 C6H12 Ethylcyclobutane c4806615  
1747 C6H12 hex-1-ene hexene1  
1748 C6H14 Butane, 2,2-dimethyl- buta22  
1749 C6H14 Butane, 2,3-dimethyl- buta23  
1750 C6H14 Hexane hexane  
1751 C6H14 Pentane, 2-methyl- penta2  
1752 C6H14 Pentane, 3-methyl- penta3  
1753 C4N2 2-Butynedinitrile c4n2  
1754 N3P3 1,3,5,2,4,6-Triazatriphosphorine n3p3  
1755 C4H2N2 Fumaronitrile c4h2n2  
1756 C2H2N4 sym-tetrazine ttz  
1757 C3H3N3 1,3,5-Triazine triazine135  
1758 CH3N5 5-Aminotetrazole c4418615  
1759 C4H4N2 1,3-Diazine diazine13  
1760 C4H4N2 Pyrazine pyrazine  
1761 C4H4N2 Pyridazine pyridazine  
1762 C4H4N2 Succinonitrile c110612  
1763 C2H4N4 1H-Tetrazole, 1-methyl- c16681779  
1764 C2H4N4 1H-Tetrazole, 5-methyl- c4076362  
1765 C2H4N4 2H-Tetrazole, 2-methyl- c16681780  
1766 C5H5N Bicyclo[1.1.0]butane-1-carbonitrile bibucn  
1767 C5H5N E-2,4-pentadienenitrile bdcn  
1768 C5H5N Pyridine pyridine  
1769 B3N3H6 borazine borazine  
1770 C6H6 Fulvene fulvene  
1771 C5H6N+ Pyridinium c5h6n  
1772 C4H6N2 1H-Imidazole, 2-methyl- c693981  
1773 C5H7N (E)-2-Pentenenitrile c26294984  
1774 C5H7N (E)-3-Pentenenitrile c16529661  
1775 C5H7N (Z)-2-Pentenenitrile c25899507  
1776 C5H7N 1H-Pyrrole, 1-methyl- c96548  
1777 C5H7N Cyclobutanecarbonitrile c4426113  
1778 C5H9N 1,2,3,6-Tetrahydropyridine c694053  
1779 C5H9N Butanenitrile, 2-methyl- c18936179  
1780 C5H9N Pentanenitrile c110598  
1781 C5H9N Propanenitrile, 2,2-dimethyl- c630182  
1782 C6H10 Bicyclo[3.1.0]hexane c285585  
1783 C5H11N Cyclopentanamine cypentam  
1784 C4H12N2 1,2-Butanediamine c4426486  
1785 C4H12N2 2-Methyl-1,2-propanediamine c811938  
1786 Li2CO3 Lithium Carbonate li2co3  
1787 Na2CO3 Sodium Carbonate na2co3  
1788 C2O4-- oxalate anion c2o4  
1789 MgSO4 Magnesium Sulfate mgso4  
1790 N2O4 Dinitrogen tetroxide n2o4  
1791 C3H2O3 vinylene carbonate vica  
1792 C2H2O4 Oxalic Acid oxalic  
1793 C2H3NO3 Oxamic acid oxamic  
1794 C4H4O2 2(5H)-Furanone furanone  
1795 C4H4O2 2-Oxetanone, 4-methylene- c674828  
1796 C2H4N2O2 Oxalamide oxalamide  
1797 C2H4N2S2 Ethanedithioamide c79403  
1798 C2H4CO3 Ethylene carbonate etco3  
1799 C3H4O2S 2H-Thiete-1,1-dioxide c7285327  
1800 C3H4S3 1,3-Dithiolane-2-thione c822388  
1801 C2H4O4 Formic acid dimer fadimer  
1802 C4H5NO 3-Methylisoxazole isox3m  
1803 C4H5NO Isoxazole, 5-methyl- c5765446  
1804 C4H5NS 4-Methylthiazole c693958  
1805 C2H5NO3 Nitric acid, ethyl ester c625581  
1806 C5H6O 2H-Pyran pyran2  
1807 C5H6O 2-methylfuran furan2m  
1808 C5H6O 3-Methylfuran furan3m  
1809 C5H6O Pentadienal pdal  
1810 C5H6S Thiophene, 2-methyl- c554143  
1811 C5H6S Thiophene, 3-methyl- c616444  
1812 C4H6O2 γ–Butyrolactone c96480  
1813 C4H6O2 2,3-Butanedione c431038  
1814 C4H6O2 2-Propenoic acid, methyl ester c96333  
1815 C4H6O2 Crotonic Acid crot  
1816 C4H6OS 2,3-dihydrothiophene-2-ol c9000117  
1817 C4H6OS 2,5-dihydrothiophene-3-ol c9000093  
1818 C4H6OS 4,5-dihydrothiophene-2-ol c9000106  
1819 C4H6OS 4,5-dihydrothiophene-3-ol c9000082  
1820 C4H6OS Dihydro-2-(3H)-thiophenone c1003107  
1821 C4H6OS Dihydro-3-(2H)-thiophenone c1003049  
1822 CH6N4S Carbonothioic dihydrazide thiacarb  
1823 C2H6N2O2 (E)-Azodioxymethane c37765154  
1824 C2H6N2O2 Dimethylnitroamine c4164287  
1825 C3H6O3 1,3,5-Trioxane trioxane  
1826 C3H6S3 1,3,5-Trithiane c3h6s3  
1827 C3H6S3 Carbonotrithioic acid, dimethyl ester c2314489  
1828 C2H6O3S Sulfurous acid, dimethyl ester c616422  
1829 C4H7NO 2-Pyrrolidinone c616455  
1830 C4H7NO Ethoxyacetonitrile etoaccn  
1831 C4H7NO Methacrylamide c79390  
1832 C4H7NO Oxazole, 4,5-dihydro-2-methyl- c1120645  
1833 HCONH2CN2H4 formamide aminomethanimine dimer d13  
1834 C3H7ONO Propyl nitrite prono  
1835 CH3CH(CH3)ONO Isopropyl nitrite c541424  
1836 CH3CH(NH2)COOH Alanine alanine  
1837 CH3NHCH2COOH Sarcosine sarcosine  
1838 NH2CH2CH2COOH β–alanine betaalanine  
1839 NH2COOC2H5 Urethane urethane  
1840 C5H8O 2H-Pyran, 3,4-dihydro- c110872  
1841 C5H8O Cyclopentanone c120923  
1842 C5H8O Furan, 2,3-dihydro-5-methyl- c1487156  
1843 C5H8O Methyl cyclopropyl ketone c765435  
1844 N(CH3)2CONH2 Urea, N,N-dimethyl- c598947  
1845 NH(CH3)CONH(CH3) Urea, N,N'-dimethyl- c96311  
1846 NH2CONHC2H5 Urea, ethyl- c625525  
1847 C4H8O2 1,3-Dioxane dioxan13  
1848 C4H8O2 1,3-Dioxolane, 2-methyl- c497267  
1849 C4H8O2 1,4-Dioxane dioxan14  
1850 C4H8O2 Ethene, 1,1-dimethoxy- c922690  
1851 C4H8O2 Ethyl acetate c141786  
1852 C4H8OS s-Ethyl thioacetate c625605  
1853 C3H8O3 1,2,3-Propanetriol glycerin  
1854 C3H8O2S (Methylsulfonyl)ethane c594434  
1855 C4H9NO Butanamide c541355  
1856 C4H9NO Propanamide, 2-methyl- c563837  
1857 C5H10O 2-Butanone, 3-methyl- c563804  
1858 C5H10O 2H-Pyran, tetrahydro- c142687  
1859 C5H10O 2-methylbutyraldehyde 2meba  
1860 C5H10O 2-Pentanone mpk  
1861 C5H10O 3-Pentanone dek  
1862 C5H10O Cyclopentanol c96413  
1863 C5H10O Oxetane, 3,3-dimethyl- c6921353  
1864 C5H10O Pentanal pal  
1865 C5H10S 2H-Thiopyran, tetrahydro- c1613510  
1866 C5H10S 3-Ethylthio-1-propene c5296628  
1867 C5H10S Cyclopentanethiol c1679078  
1868 C5H10S Thiophene, tetrahydro-2-methyl- c1795091  
1869 C5H10S Thiophene, tetrahydro-3-methyl- c4740005  
1870 C4H10O2 1,1-Dimethoxyethane c534156  
1871 C4H10O2 1,3-Butanediol budiol13  
1872 C4H10O2 1,4-Butanediol budiol14  
1873 C4H10O2 Ethane, 1,2-dimethoxy- c110714  
1874 C4H10OS Diethyl sulfoxide c70291  
1875 C4H10S2 1,4-Butanedithiol budisl14  
1876 C4H11NO Diethylhydroxylamine c3710847  
1877 C5H12O 1-Butanol, 2-methyl- c137326  
1878 C5H12O 1-Butanol, 3-methyl- c123513  
1879 C5H12O 1-Pentanol pentanol1  
1880 C5H12O 2-Butanol, 3-methyl- c598754  
1881 C5H12O 2-Pentanol peol2  
1882 C5H12O 3-Pentanol pentan3ol  
1883 C5H12O Butane, 1-methoxy- meobu  
1884 C5H12O Propane, 1-ethoxy- proet  
1885 C5H12O Propane, 2-methoxy-2-methyl- c1634044  
1886 C5H12S 1-Butanethiol, 2-methyl- c1878188  
1887 C5H12S 1-Butanethiol, 3-methyl- c541311  
1888 C5H12S 1-Pentanethiol c110667  
1889 C5H12S 1-Propanethiol, 2,2-dimethyl- c1679089  
1890 C5H12S 2-Butanethiol, 2-methyl- c1679090  
1891 C5H12S 2-Butanethiol, 3-methyl- c2084186  
1892 C5H12S Butane, 1-(methylthio)- c628295  
1893 C5H12S Ethyl propyl sulfide c4110503  
1894 C5H12S Propane, 2-(ethylthio)- c5145993  
1895 C5H12S Propane, 2-methyl-2-(methylthio)- c6163640  
1896 C4F2 difluorobutadiyne c4f2  
1897 ClCOClCO Oxalyl chloride oxcl  
1898 CF3CN Acetonitrile, trifluoro- cf3cn  
1899 CF3CN+ Acetonitrile, trifluoro- cation cf3cn+  
1900 B2F4 Diboron tetrafluoride b2f4  
1901 B2Cl4 Diboron tetrachloride b2cl4  
1902 C2F4 Tetrafluoroethylene c2f4  
1903 C2F4+ Tetrafluoroethylene cation c2f4+  
1904 C2ClF3 Ethene, chlorotrifluoro- c2f3cl  
1905 CF2CCl2 difluorodichloroethylene cf2ccl2  
1906 CFClCClF trans-1,2-dichloro-1,2-difluoroethylene cfclcclf  
1907 CFClCFCl cis-1,2-dichloro-1,2-difluoroethylene cfclcfcl  
1908 C2FCl3 fluorotrichloroethene c2fcl3  
1909 C2Cl4 Tetrachloroethylene c2cl4  
1910 C2Br4 tetrabromoethene c2br4  
1911 CF3OF Trifluoromethylhypofluorite cf3of  
1912 SiF5- silicon pentafluoride anion sif5-  
1913 SOF4 Sulfur tetrafluoride oxide sof4  
1914 PF5 Phosphorus pentafluoride pf5  
1915 AsF5 Arsenic pentafluoride asf5  
1916 PCl5 Phosphorus pentachloride pcl5  
1917 SF5 Sulfur pentafluoride sf5  
1918 SF5+ pentafluoro sulfur cation sf5+  
1919 SbCl5 Antimony pentachloride sbcl5  
1920 BrF5 bromine pentafluoride brf5  
1921 ClF5 chlorinepentafluoride clf5  
1922 IF5 pentafluoroiodine if5  
1923 CF3CHO trifluoroacetaldehyde cf3cho  
1924 CCl3CHO trichloroacetaldehyde ccl3cho  
1925 CHFClCHClF ethane, 1,2-dichloro-1,2-difluoro- chfclchclf  
1926 CF3CH2F 1,1,1,2-tetrafluoroethane cf3ch2f  
1927 CHF2CHF2 1,1,2,2-tetrafluoroethane chf2chf2  
1928 CF3CH2Cl 2,2,2-Trifluoroethyl chloride cf3ch2cl  
1929 CHFClCHFCl 1,2-dichloro-1,2-difluoroethane RR chfclchfcl  
1930 CH2ClCCl3 1,1,1,2-tetrachloroethane ch2clccl3  
1931 CHCl2CHCl2 Ethane, 1,1,2,2-tetrachloro- chcl2chcl2  
1932 CH2BrCBr3 1,1,1,2-tetrabromo ethane c2h2br4  
1933 CHCl2CHF2 1,1-dichloro-2,2-difluoroethane c2h2cl2f2  
1934 CF3COOH trifluoroacetic acid cf3cooh  
1935 C4H3ClO Furan, 2-chloro fur2cl  
1936 C4H3ClO Furan,3-chloro fur3cl  
1937 C3H5ClO2 Carbonochloridic acid, ethyl ester c541413  
1938 C3H5Cl3 Propane, 1,2,3-trichloro- prcl135  
1939 C4H8Cl2 1,4-Dichlorobutane c110565  
1940 C4H8Cl2 Butane, 1,2-dichloro- c616217  
1941 C4H8Cl2 Butane, 1,3-dichloro- c1190223  
1942 C4H8Cl2 Butane, 2,3-dichloro-, (r*,r*)-(.+/-.)- c2211678  
1943 C4H8Cl2 Butane, 2,3-dichloro-, (r*,s*)- c4028562  
1944 C4H9ClO 1-Chloro-2-ethoxyethane c628342  
1945 C5H11Cl Pentane, 1-chloro- pencl1  
1946 C4H8O2 Butanoic acid bua  
1947 C6H5CH2 benzyl radical benzyl  
1948 C7H7 cycloheptatrienyl radical c7h7  
1949 C7H7+ cycloheptatrienyl cation c7h7+  
1950 C6H5CH3 toluene toluene  
1951 C7H8 cycloheptatriene cht  
1952 C7H8 Norbornadiene norbor  
1953 C7H8 Quadricyclane qucy  
1954 C7H14 cycloheptane c7h14  
1955 C7H16 2-methylhexane 2mhex  
1956 C7H16 3-methylhexane hex3m  
1957 C7H16 heptane heptane  
1958 CH(CN)3 tricyanomethane mecn3  
1959 HN=C=C(CN)2 Dicyanoketenimine c4hn3  
1960 C6H7N 2-Methylpyridine mp  
1961 C6H5NH2 aniline aniline  
1962 C6H13N 2-Methylpiperidine pip2m  
1963 C6H13N cyclohexanamine cham  
1964 C6H15N triethylamine tea  
1965 N2O5 Dinitrogen pentoxide n2o5  
1966 C4H2O3 Maleic Anhydride malan  
1967 C5H4O2 4-Cyclopentene-1,3-dione cpdio  
1968 C5H4O2 furfural furfural  
1969 C6H5O phenoxy radical phenoxy  
1970 C5H5NO 2(1H)-Pyridinone c72762006  
1971 C5H5NO 2(3H)-Pyridinone c9000048  
1972 C5H5NO 2(5H)-Pyridinone c9000037  
1973 C5H5NO 2-Pyridinol c109104  
1974 C5H5NO 3(2H)-Pyridinone c9000004  
1975 C5H5NO 3(4H)-Pyridinone c9000026  
1976 C5H5NO 3(6H)-Pyridinone c9000015  
1977 C5H5NO 3-Pyridinol c109002  
1978 C5H5NO 4(1H)-Pryidinone c9000060  
1979 C5H5NO 4(3H)-Pryidinone c9000059  
1980 C5H5NO 4-Pyridinol c626642  
1981 C6H5OH phenol phenol  
1982 C6H6O 2,4-Cyclohexadienone c24599573  
1983 C6H6O 2,5-Cyclohexadienone c5664335  
1984 C6H5SH Benzenethiol phsh  
1985 HO2CCHNH2CH2OH Serine serine  
1986 C5H8O2 Acetylacetone acac  
1987 C4H8O2S Sulfolane sulfolane  
1988 C7H10 Norbornene norbornene  
1989 CH(C2H3)3 trivinyl methane tvm  
1990 C6H10O cyclohexanone chexo  
1991 C6H12O hexanal c6h12o  
1992 C6H12O Oxepane oxepane  
1993 C3H7OC3H7 di-n-propyl ether propr  
1994 F2CCCF2 tetrafluoroallene pfa  
1995 CF3COO- trifluoro acetate anion cf3coo-  
1996 CF3COF trifluoroacetyl fluoride cf3cof  
1997 CF3COCl trifluoroacetyl chloride cf3cocl  
1998 PF6 Hexafluorophosphate neutral pf6  
1999 PF6- Hexafluorophosphate ion pf6-  
2000 SF6 Sulfur Hexafluoride sf6  
2001 SeF6 Selenium hexafluoride sef6  
2002 SF5Cl sulfur chloropentafluoride sf5cl  
2003 CF3CHF2 pentafluoroethane cf3chf2  
2004 CF3CHFCl 1,1,1,2-tetrafluorochloroethane cf3chfcl  
2005 CF3CHCl2 1,1-Dichloro-2,2,2-trifluoroethane cf3chcl2  
2006 CHCl2CClF2 Ethane, 1,2,2-trichloro-1,1-difluoro- chcl2cclf2  
2007 CCl3CHCl2 pentachloroethane ccl3chcl2  
2008 C6H5F Fluorobenzene bzf  
2009 C6H5Cl chlorobenzene bzcl  
2010 C8H6 Calicene calicene  
2011 C6H5CCH phenylacetylene phac  
2012 C8H6 benzocyclobutadiene bcbd  
2013 C8H6 Pentalene pentalene  
2014 C6H5CHCH2 Styrene styrene  
2015 C8H8 cubane cubane  
2016 C8H8 cyclooctatetraene cot  
2017 C6H5CH2CH3 Ethylbenzene etbz  
2018 CH3C6H4CH3 meta-xylene mxylene  
2019 CH3C6H4CH3 paraxylene pxylene  
2020 C8H14 Bicyclo[2.2.2]octane bico222  
2021 C8H16 cyclooctane cyclooct  
2022 (CH3)3CC(CH3)3 tetramethylbutane tmb  
2023 C8H18 Octane c8h18  
2024 C6H5CN phenyl cyanide phcn  
2025 C6H12N2 Triethylenediamine ted  
2026 C4O4-- squarate dianion c4o4--  
2027 S4N4 Tetrasulfur tetranitride s4n4  
2028 S8 Octasulfur s8  
2029 C6H4O2 parabenzoquinone pbq  
2030 C4H4N2O2 Uracil uracil  
2031 C6H5CHO benzaldehyde benzal  
2032 C6H5OCH3 Anisole anisole  
2033 C5H9NO2 Proline proline  
2034 C6H12O2 Methyl pivalate c598981  
2035 C6H12O2 Hexanoic acid hexa  
2036 C4F4 tetrafluorcyclobutadiene c4f4  
2037 Al2Cl6 Aluminum, di-μ-chlorotetrachlorodi- al2cl6  
2038 CF3CF2Cl pentafluorochloroethane cf3cf2cl  
2039 CF2ClCF2Cl 1,2-Dichloro-1,1,2,2-tetrafluoroethane cf2clcf2cl  
2040 CF3CFCl2 1,1-Dichlorotetrafluoroethane cf3cfcl2  
2041 CF2ClCFCl2 Ethane, 1,1,2-trichloro-1,2,2-trifluoro- cf2clcfcl2  
2042 CF3CCl3 1,1,1-trifluoro-2,2,2-trichloroethane cf3ccl3  
2043 C2F6 hexafluoroethane c2f6  
2044 C2Cl6 hexachloroethane c2cl6  
2045 IF7 Iodine heptafluoride if7  
2046 C6H4F2 metadifluorobenzene mdfb  
2047 C6H4F2 orthodifluorobenzene odfb  
2048 C6H4F2 1,4-difluorobenzene pdfb  
2049 C6H4Cl2 1,2-dichlorobenzene dcb12  
2050 C6H4Cl2 1,3-dichlorobenzene dcb13  
2051 C6H4Cl2 1,4-dichlorobenzene dcb14  
2052 C6H5NO nitrosobenzene bzno  
2053 C9H8 Indene indene  
2054 C9H8 spiro[4.4]nona-1,3,6,8-tetraene snt  
2055 C9H12 n-propyl benzene prbz  
2056 C9H20 Nonane nonane  
2057 C(CN)4 tetracyanomethane c5n4  
2058 C5H4N4 purine purine  
2059 C3H3N3O3 cyanuric acid cyanuric  
2060 C6H5NO2 Nitrobenzene c6h5no2  
2061 C6H5COOH benzoic acid benzo  
2062 CH3COC6H5 acetophenone acph  
2063 C3Cl3N3 1,3,5-Triazine, 2,4,6-trichloro- c3cl3n3  
2064 C3F6 hexafluoropropene c3f6  
2065 C6H3F3 Benzene trifluoride 123 bzf3a  
2066 C8H18O 1-Octanol octanol  
2067 C10H8 Azulene azu  
2068 C10H8 naphthalene naph  
2069 C10H10 bullvalene bullv  
2070 C10H16 adamantane adamantane  
2071 C6N4 Tetracyanoethylene tcne  
2072 C6N4- tetracyanoethylene anion tcne-  
2073 C10H22 Decane decane  
2074 C4F6 perfluorobutadiene c4f6  
2075 SF5CF3 Sulfur, pentafluoro(trifluoromethyl)- sf5cf3  
2076 C3F8 perfluoropropane c3f8  
2077 Fe(CO)5 Iron pentacarbonyl ipc  
2078 Fe(C5H5)2 ferrocene fecp2  
2079 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
2080 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
2081 C12H8 Acenaphthylene acenaph  
2082 C12H8 biphenylene biph  
2083 C12H10 biphenyl biphenyl  
2084 C12H10 Heptalene heptalene  
2085 C6H12O6 Inositol inositol  
2086 C6F6 hexafluorobenzene c6f6  
2087 S2F10 disulphur decafluoride s2f10  
2088 C13H10 Fluorene fluorene  
2089 C14H10 Anthracene anth  
2090 C14H10 Phenanthrene phenanthrene  
2091 C14H14 Bibenzyl bibenzyl  
2092 C12H10N2 azobenzene azobenzene  
2093 C6H5COC6H5 benzophenone benzophenone  
2094 C16H10 Pyrene pyrene  
2095 C18H12 Tetracene tetracene  
2096 C19H16 Triphenylmethane tpm  
2097 C24H12 Coronene coronene  
2098 C60 Buckminsterfullerene c60